0 B10R1.18 B(Cc1ccccc1)(O)O TS01380 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.18 CC(=Cc1ccccc1)C TS36699 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.18 CC(=O)C[n+]1ccccc1 TS21976 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.18 CC(=O)C[n+]1ccccc1 TS45387 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [0,0,0,0,0,0|1,0,1]=2 9 B10R1.18 CC(=O)Cc1ccncc1 TS29470 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.18 CC(=O)Nc1cccnc1 TS06049 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.18 CC(=O)Oc1cccnc1 TS06165 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.18 CC(=S)Nc1ccccc1 TS10093 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.18 CC(C)Cc1ccccc1 TS74509 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.18 CC(C)Cc1ccccn1 TS36960 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.18 CC(C)Cc1cccnc1 TS06005 [0,0,0,0,0,0|0,0,0]=0 18 B10R1.18 CC(C)Cc1ccncc1 TS06006 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.18 CC(C)Cc1cnccn1 TS06100 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.18 CC(C)Nc1ccccc1 TS56404 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.18 CC(C)Nc1cccnc1 TS64905 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.18 CC(C)Nc1ccncc1 TS64906 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.18 CC(C)Sc1ccccc1 TS41201 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.18 CC(Cc1ccccc1)Br TS55076 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.18 CC(Cc1ccccc1)N TS06010 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.18 CC(Cc1ccccc1)O TS47018 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.18 CC(Cc1ccccn1)N TS46983 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.18 CC(Cc1cccnc1)N TS00050 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.18 CN(C)Cc1ccccc1 TS06009 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.18 CN(C)Cc1ccccc1 TS45394 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.18 C[SiH](C)Cc1ccccc1 TS40934 [0,0,0,0,0,0|1,1,0]=2 35 B10R1.18 c1c(cncn1)CC(=O)O TS37158 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.18 c1cc(cnc1)CC(=O)O TS94291 [0,0,0,0,0,0|2,0,1]=3 37 B10R1.18 c1cc(cnc1)CC(=O)O TS94292 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.18 c1cc(cnc1)NC(=S)N TS59320 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.18 c1cc(nnc1)CC(=O)O TS86714 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.18 c1ccc(cc1)OC(F)F TS06920 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.18 c1ccc(cc1)[SiH2]C(Cl)Cl TS17240 [0,0,0,0,0,0|3,1,0]=4 49 B10R1.18 c1cnc(cn1)CC(=O)O TS02465 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.18 c1cnncc1CC(=O)O TS90855 [0,0,0,0,0,0|3,0,1]=4 51 B9R1.8 C#CCc1ccccc1 TS32230 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.8 C=CCc1ccccc1 TS32347 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.8 CC#Cc1ccccc1 TS04599 [1,0,0,0,0,0|1,0,2]=4 54 B9R1.8 CC=Cc1ccccc1 TS32346 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.8 CCC[n+]1ccccc1 TS38202 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.8 CCCc1ccccc1 TS04832 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.8 CCCc1ccccn1 TS85359 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.8 CCCc1cnccn1 TS59984 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.8 CCNc1ccccc1 TS04869 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.8 CCOc1ccccc1 TS04896 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.8 CCOc1ccccn1 TS55309 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.8 CCOc1ccncc1 TS04974 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.8 CCOc1cnccn1 TS05010 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.8 CCSc1ccccc1 TS06299 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.8 CNCc1ccccc1 TS01938 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.8 CNCc1ccccn1 TS51966 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.8 CNCc1cccnc1 TS02609 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.8 CNCc1ccncc1 TS65238 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.8 CNCc1cnccn1 TS01556 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.8 CNCc1cncnc1 TS91331 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.8 CNNc1ccccc1 TS85406 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.8 COCc1ccccc1 TS04897 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.8 COCc1ccccn1 TS00518 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.8 CSCc1ccccc1 TS06309 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.8 CSSc1ccccc1 TS41708 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.8 c1c(cncn1)CC#N TS88576 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.8 c1c(cncn1)CNN TS87915 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.8 c1cc(cnc1)C=NO TS32495 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.8 c1cc(cnc1)CC#N TS04724 [1,0,0,0,0,0|1,0,1]=3 81 B9R1.8 c1cc(cnc1)CCN TS41995 [1,0,0,0,0,0|1,0,0]=2 82 B9R1.8 c1cc(cnc1)CCN TS65667 [1,0,0,0,0,0|1,0,0]=2 83 B9R1.8 c1cc(cnc1)CCO TS39614 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.8 c1cc(cnc1)CNN TS87066 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.8 c1cc(cnc1)N=C=O TS32413 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.8 c1cc(nnc1)CC#N TS89382 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.8 c1cc(nnc1)CNN TS92328 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.8 c1ccc(cc1)CC#N TS04678 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.8 c1ccc(cc1)CCBr TS15419 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.8 c1ccc(cc1)CCCl TS37454 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.8 c1ccc(cc1)CCI TS25156 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.8 c1ccc(cc1)CCN TS22602 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.8 c1ccc(cc1)CCN TS65627 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.8 c1ccc(cc1)CCO TS04901 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.8 c1ccc(cc1)CCS TS06307 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.8 c1ccc(cc1)CNN TS09177 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.8 c1ccc(cc1)CNN TS21284 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.8 c1ccc(cc1)CNO TS01934 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.8 c1ccc(cc1)CNO TS93618 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.8 c1ccc(cc1)SCCl TS42004 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [1,0,0,0,0,0|2,1,0]=4 105 B9R1.8 c1ccnc(c1)CCCl TS37532 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.8 c1ccnc(c1)CCN TS04914 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.8 c1ccnc(c1)CCN TS17997 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.8 c1ccnc(c1)CCO TS04967 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.8 c1cnc(cn1)CC#N TS87071 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.8 c1cnc(cn1)CCN TS32564 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.8 c1cnc(cn1)CCS TS37406 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.8 c1cnc(cn1)CNN TS88060 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.8 c1cnccc1CCN TS09522 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.8 c1cnccc1CCO TS70737 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.8 c1cnccc1CCS TS06395 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.8 c1cnccc1CCS TS46022 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.8 c1cnncc1CC#N TS89381 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.8 c1cnncc1CNN TS91906 [1,0,0,0,0,0|3,0,0]=4 119 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.20 CC(=O)Nc1ccc(nc1)Br TS44648 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.20 CC(C)Cc1ccc(cc1)Br TS44298 [0,1,0,0,0,0|1,0,0]=2 125 B11R1.20 CC(C)Cc1ccc(cc1)N TS07610 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.20 CC(C)Nc1ccc(cc1)Cl TS45059 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.20 CC(C)Nc1ccc(cc1)F TS10328 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.20 CC(C)Oc1ccc(cc1)N TS10070 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.20 CC(C)Oc1ccc(cc1)N TS50642 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.20 CC(C)Oc1ccc(cn1)Br TS85279 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.20 CC(C)Oc1ccc(cn1)N TS10201 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.20 CC(Cc1ccc(cc1)Cl)N TS38929 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.20 CC(Cc1ccc(cc1)F)N TS10335 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.20 CC(Cc1ccc(cc1)I)N TS55981 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.20 CN(C)Cc1ccc(cc1)Br TS21622 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.20 CN(C)Cc1ccc(cc1)N TS03005 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.20 c1cc(ncc1CC(=O)O)Cl TS13065 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.36 CC(=C)C(c1ccccc1)O TS07470 [0,1,0,0,0,0|1,0,2]=4 140 B11R1.36 CC(=O)C(c1ccccc1)Br TS60203 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.36 CC(=O)C(c1ccccc1)N TS46844 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.36 CC(C(=O)c1ccccc1)Br TS21451 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.36 CC(C(=O)c1ccccc1)Cl TS00953 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.36 CC(C)C(=O)c1ccccc1 TS07468 [0,1,0,0,0,0|1,0,1]=3 145 B11R1.36 CC(C)C(=O)c1ccccn1 TS07567 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.36 CC(C)C(C)c1ccccc1 TS40688 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.36 CC(C)C(c1ccccc1)N TS40783 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.36 CC(C)C(c1ccccc1)O TS40912 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.36 CC(C)[C@@H](c1ccccc1)O TS09919 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.36 CC(C)[C@H](c1ccccc1)O TS09912 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.36 CC(c1ccccc1)N(C)C TS07606 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.36 CN(C)C(=O)c1ccccc1 TS40744 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.36 CN(C)C(=O)c1cccnc1 TS09883 [0,1,0,0,0,0|1,0,1]=3 154 B11R1.36 C[C@@H](c1ccccc1)N(C)C TS07604 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS10078 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS50636 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS50640 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.36 C[C@H](c1ccccc1)N(C)C TS40779 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.36 c1cc(cnc1)C(C(=O)O)N TS10156 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.40 CC(=Cc1ccccc1)CO TS40644 [0,1,0,0,0,0|1,0,2]=4 161 B11R1.40 CC(=NO)Cc1ccccc1 TS40745 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.40 CC(CO)Oc1ccccc1 TS41133 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.40 CC(Cc1ccccc1)C=O TS07461 [0,1,0,0,0,0|1,0,1]=3 164 B11R1.40 CC(Cc1ccccc1)NC TS07600 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.40 CCC(=Cc1ccccc1)C TS07268 [0,1,0,0,0,0|1,0,2]=4 166 B11R1.40 CCC(=O)Cc1ccccc1 TS07483 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.40 CCC(C)Cc1ccccc1 TS40686 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.40 CCC(Cc1ccccc1)O TS00513 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.40 CN(Cc1ccccc1)N=O TS09887 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.40 COC(=O)Cc1ccccc1 TS00242 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.40 COC(=O)Cc1cccnc1 TS90627 [0,1,0,0,0,0|1,0,1]=3 172 B11R1.40 COC(=O)Cc1cccnn1 TS85573 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.40 COC(=O)Cc1ccnnc1 TS90137 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.40 COC(=O)Cc1cnccn1 TS88028 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.40 C[C@@H](Cc1ccccc1)NC TS40789 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.40 C[C@H](Cc1ccccc1)NC TS40784 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.40 c1cc(cnc1)CC(=O)NN TS10044 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.40 c1ccc(cc1)CC(=O)CCl TS44955 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.40 c1ccc(cc1)CC(C#N)Cl TS12109 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.40 c1ccc(cc1)C[C@H](CN)N TS09945 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.40 c1ccc(cc1)C[C@H](CO)N TS07919 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.86 CC(=O)Cc1ccccc1Br TS21452 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.86 CC(=O)Cc1ccccc1Cl TS44948 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.86 CC(=O)Cc1ccccc1F TS10163 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.86 CC(C)Cc1ccccc1O TS40918 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.86 CC(C)Nc1c(cccn1)N TS10088 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.86 CC(C)Oc1c(cccn1)I TS29880 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.86 CC(C)Oc1ccccc1Br TS21828 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.86 CC(C)Oc1ccccc1O TS10184 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.86 CN(C)Cc1c(cccn1)O TS10196 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.86 CN(C)Cc1ccccc1Br TS21621 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.86 CN(C)Cc1ccccc1N TS09933 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.86 Cc1c(nccn1)CC(C)C TS09939 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.86 Cc1c(nccn1)OC(C)C TS41161 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.86 Cc1ccccc1CC(=O)C TS40648 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.86 Cc1ccncc1NC(=O)C TS09896 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O TS85678 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.157 CC(=O)Cc1cccc(c1)Br TS21446 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.157 CC(=O)Cc1cccc(c1)Cl TS12621 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.157 CC(=O)Cc1cccc(c1)F TS10165 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.157 CC(=O)Cc1cccc(c1)O TS40855 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.157 CC(C)Nc1cccc(c1)F TS10329 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.157 CC(C)Oc1cccc(c1)Br TS46927 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.157 CC(C)Oc1cccc(c1)F TS41381 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.157 CC(C)Oc1cccc(c1)N TS10079 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.157 CN(C)Cc1cccc(c1)Br TS21619 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.157 CN(C)Cc1cccc(c1)N TS09938 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.157 Cc1cccc(c1)CC(=O)C TS40649 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.157 Cc1cccc(c1)NC(C)C TS40773 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.157 c1c(cncc1Br)CC(=O)O TS16996 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.157 c1c(cncc1F)CC(=O)O TS88577 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.509 CC(C)(C)Cc1ccccc1 TS40684 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.509 CC(C)(C)Oc1ccccc1 TS40911 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.509 CC(C)(C)Pc1ccccc1 TS43094 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.509 CC(C)(C)Pc1ccccc1 TS47823 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.509 CC(C)(Cc1ccccc1)O TS40900 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.509 CS(=O)(=O)Cc1ccccc1 TS12822 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS15548 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS24835 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS35770 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS50591 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS55765 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS55766 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS81650 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.509 C[Si](C)(C)Cc1ccccc1 TS42820 [0,1,0,0,0,0|1,1,0]=3 226 B11R1.509 C[Si](C)(C)Cc1ccncc1 TS12097 [0,1,0,0,0,0|2,1,0]=4 227 B11R1.509 C[Si](C)(C)Nc1ccccc1 TS12096 [0,1,0,0,0,0|2,1,0]=4 228 B11R1.509 C[Si](C)(C)Oc1ccccc1 TS43142 [0,1,0,0,0,0|2,1,0]=4 229 B11R1.509 C[Si](C)(C)Sc1ccccc1 TS15048 [0,1,0,0,0,0|2,1,0]=4 230 B11R1.509 C[Si](C)(C)[Se]c1ccccc1 TS24720 [0,1,0,0,0,0|2,1,0]=4 231 B11R1.509 C[Si](C)(Cc1ccccc1)Cl TS15404 [0,1,0,0,0,0|1,1,0]=3 232 B11R1.509 c1cc(cnc1)CS(=O)(=O)Cl TS51372 [0,1,0,0,0,0|3,0,0]=4 233 B9R0.4 CC(C)CC(=O)OCC=C TS06704 [0,0,1,0,0,0|3,0,0]=4 234 B11R2.4 CC1CC1c2ccccc2 TS36705 [0,0,0,1,0,0|1,0,0]=2 235 B11R2.4 C[C@@H]1[C@H](O1)c2ccccc2 TS05905 [0,0,0,1,0,0|2,0,0]=3 236 B11R2.4 C[C@H]1[C@@H](O1)c2ccccc2 TS36853 [0,0,0,1,0,0|2,0,0]=3 237 B11R2.4 c1ccc(cc1)C2CC2N TS45058 [0,0,0,1,0,0|2,0,0]=3 238 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS12741 [0,0,0,1,0,0|2,0,0]=3 239 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS66575 [0,0,0,1,0,0|2,0,0]=3 240 B11R2.10 CC1=Cc2ccccc2C1 TS36518 [0,0,0,1,0,0|1,0,2]=4 241 B11R2.10 CC1CC2C=CC=CC2C1 TS81693 [0,0,0,1,0,0|1,0,2]=4 242 B11R2.10 CC1Cc2ccccc2N1 TS05844 [0,0,0,1,0,0|2,0,0]=3 243 B11R2.10 CC1Cc2ccccc2O1 TS36849 [0,0,0,1,0,0|2,0,0]=3 244 B11R2.10 Cc1[nH]c2c(n1)cccn2 TS05824 [0,0,0,1,0,0|2,0,1]=4 245 B11R2.10 Cc1cc2c([nH]1)cccn2 TS05747 [0,0,0,1,0,0|1,0,2]=4 246 B11R2.10 Cc1cc2cccnc2[nH]1 TS01126 [0,0,0,1,0,0|1,0,2]=4 247 B11R2.10 Cc1cc2ccncc2[nH]1 TS05741 [0,0,0,1,0,0|1,0,2]=4 248 B11R2.10 Cc1cc2cnccc2[nH]1 TS36678 [0,0,0,1,0,0|1,0,2]=4 249 B11R2.10 c1cc2c(nc1)CC(=O)N2 TS90280 [0,0,0,1,0,0|2,0,1]=4 250 B11R2.10 c1cc2c(nc1)NC(=O)C2 TS46802 [0,0,0,1,0,0|2,0,1]=4 251 B11R2.10 c1ccc2c(c1)CC(=O)C2 TS55409 [0,0,0,1,0,0|2,0,1]=4 252 B11R2.10 c1ccc2c(c1)CC(C2)I TS94847 [0,0,0,1,0,0|2,0,0]=3 253 B11R2.10 c1ccc2c(c1)CC(C2)O TS55408 [0,0,0,1,0,0|2,0,0]=3 254 B11R2.10 c1cncc2c1CC(=O)N2 TS87911 [0,0,0,1,0,0|2,0,1]=4 255 B11R2.10 c1cncc2c1NC(=O)C2 TS87415 [0,0,0,1,0,0|2,0,1]=4 256 B11R2.238 c1ccc(cc1)CC2CC2 TS36695 [0,0,0,1,0,0|1,0,0]=2 257 B11R2.238 c1ccc(cc1)CC2CN2 TS36772 [0,0,0,1,0,0|2,0,0]=3 258 B11R2.238 c1ccc(cc1)C[C@@H]2CN2 TS36776 [0,0,0,1,0,0|2,0,0]=3 259 B11R2.238 c1ccc(cc1)C[C@H]2CN2 TS36774 [0,0,0,1,0,0|2,0,0]=3 260 B11R2.238 c1ccc(cc1)SC2CC2 TS55842 [0,0,0,1,0,0|2,0,0]=3 261 B9R1.6 B(c1cccnc1)(O)O TS02468 [0,0,0,0,1,0|3,0,0]=4 262 B9R1.6 B(c1cccnc1)(O)O TS11179 [0,0,0,0,1,0|3,0,0]=4 263 B9R1.6 CC(=C)c1ccccc1 TS32349 [0,0,0,0,1,0|1,0,2]=4 264 B9R1.6 CC(=O)c1ccccc1 TS32455 [0,0,0,0,1,0|2,0,1]=4 265 B9R1.6 CC(=O)c1ccccc1 TS32456 [0,0,0,0,1,0|2,0,1]=4 266 B9R1.6 CC(=O)c1ccccc1 TS38236 [0,0,0,0,1,0|2,0,1]=4 267 B9R1.6 CC(=O)c1ccccc1 TS55713 [0,0,0,0,1,0|2,0,1]=4 268 B9R1.6 CC(=O)c1cccnc1 TS65831 [0,0,0,0,1,0|1,0,1]=3 269 B9R1.6 CC(=O)c1cccnn1 TS87133 [0,0,0,0,1,0|2,0,1]=4 270 B9R1.6 CC(=O)c1ccnnc1 TS89714 [0,0,0,0,1,0|2,0,1]=4 271 B9R1.6 CC(=O)c1cnccn1 TS55718 [0,0,0,0,1,0|2,0,1]=4 272 B9R1.6 CC(=O)c1cncnc1 TS46735 [0,0,0,0,1,0|2,0,1]=4 273 B9R1.6 CC(C)c1ccccn1 TS32479 [0,0,0,0,1,0|2,0,0]=3 274 B9R1.6 CC(C)c1ccccn1 TS49188 [0,0,0,0,1,0|2,0,0]=3 275 B9R1.6 CC(C)c1ccncc1 TS09132 [0,0,0,0,1,0|2,0,0]=3 276 B9R1.6 CC(C)c1cnccn1 TS04911 [0,0,0,0,1,0|1,0,0]=2 277 B9R1.6 CC(c1ccccc1)Cl TS37453 [0,0,0,0,1,0|2,0,0]=3 278 B9R1.6 CC(c1ccccc1)N TS55879 [0,0,0,0,1,0|2,0,0]=3 279 B9R1.6 CC(c1ccccc1)O TS04908 [0,0,0,0,1,0|2,0,0]=3 280 B9R1.6 CC(c1ccccn1)N TS47025 [0,0,0,0,1,0|3,0,0]=4 281 B9R1.6 CC(c1ccccn1)N TS59503 [0,0,0,0,1,0|3,0,0]=4 282 B9R1.6 CC(c1ccccn1)O TS08930 [0,0,0,0,1,0|3,0,0]=4 283 B9R1.6 CC(c1cccnc1)N TS59573 [0,0,0,0,1,0|1,0,0]=2 284 B9R1.6 CC(c1ccncc1)N TS51965 [0,0,0,0,1,0|3,0,0]=4 285 B9R1.6 CC(c1ccncc1)N TS59574 [0,0,0,0,1,0|3,0,0]=4 286 B9R1.6 CC(c1ccnnc1)N TS88664 [0,0,0,0,1,0|2,0,0]=3 287 B9R1.6 CC(c1cnccn1)N TS86731 [0,0,0,0,1,0|2,0,0]=3 288 B9R1.6 CC(c1cncnc1)N TS88597 [0,0,0,0,1,0|2,0,0]=3 289 B9R1.6 CN(C)c1cc[nH+]cc1 TS29274 [0,0,0,0,1,0|3,0,0]=4 290 B9R1.6 CN(C)c1ccccc1 TS56353 [0,0,0,0,1,0|2,0,0]=3 291 B9R1.6 CN(C)c1ccccn1 TS04916 [0,0,0,0,1,0|3,0,0]=4 292 B9R1.6 CN(C)c1cccnc1 TS32521 [0,0,0,0,1,0|1,0,0]=2 293 B9R1.6 CN(C)c1ccncc1 TS71094 [0,0,0,0,1,0|3,0,0]=4 294 B9R1.6 CN(C)c1ccncc1 TS79663 [0,0,0,0,1,0|3,0,0]=4 295 B9R1.6 CN(C)c1ccncc1 TS93097 [0,0,0,0,1,0|3,0,0]=4 296 B9R1.6 CN(c1ccccc1)N TS46980 [0,0,0,0,1,0|3,0,0]=4 297 B9R1.6 CP(C)c1ccccc1 TS37178 [0,0,0,0,1,0|2,0,0]=3 298 B9R1.6 CP(C)c1ccccc1 TS75399 [0,0,0,0,1,0|2,0,0]=3 299 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [0,0,0,0,1,0|2,0,0]=3 300 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [0,0,0,0,1,0|2,0,0]=3 301 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [0,0,0,0,1,0|3,0,0]=4 302 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [0,0,0,0,1,0|1,0,0]=2 303 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [0,0,0,0,1,0|3,0,0]=4 304 B9R1.6 C[C@@H](c1cncnc1)N TS86849 [0,0,0,0,1,0|2,0,0]=3 305 B9R1.6 C[C@H](c1ccccc1)N TS00310 [0,0,0,0,1,0|2,0,0]=3 306 B9R1.6 C[C@H](c1ccccc1)N TS29339 [0,0,0,0,1,0|2,0,0]=3 307 B9R1.6 C[C@H](c1ccccc1)O TS04906 [0,0,0,0,1,0|2,0,0]=3 308 B9R1.6 C[C@H](c1ccccn1)O TS04976 [0,0,0,0,1,0|3,0,0]=4 309 B9R1.6 C[C@H](c1cccnc1)O TS04956 [0,0,0,0,1,0|1,0,0]=2 310 B9R1.6 C[C@H](c1ccncc1)O TS39982 [0,0,0,0,1,0|3,0,0]=4 311 B9R1.6 C[C@H](c1cncnc1)N TS90168 [0,0,0,0,1,0|2,0,0]=3 312 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [0,0,0,0,1,0|1,1,0]=3 313 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [0,0,0,0,1,0|2,0,1]=4 314 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [0,0,0,0,1,0|2,0,1]=4 315 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [0,0,0,0,1,0|2,0,1]=4 316 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [0,0,0,0,1,0|2,0,1]=4 317 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [0,0,0,0,1,0|2,0,1]=4 318 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [0,0,0,0,1,0|2,0,1]=4 319 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [0,0,0,0,1,0|2,0,1]=4 320 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [0,0,0,0,1,0|2,0,1]=4 321 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [0,0,0,0,1,0|2,0,1]=4 322 B9R1.6 c1cc(cnc1)C(=S)N TS00280 [0,0,0,0,1,0|2,0,1]=4 323 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [0,0,0,0,1,0|2,0,1]=4 324 B9R1.6 c1cc(cnc1)[N+](=O)[O-] TS05007 [0,0,0,0,1,0|3,0,0]=4 325 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [0,0,0,0,1,0|3,0,0]=4 326 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [0,0,0,0,1,0|3,0,0]=4 327 B9R1.13 CC(=O)Cc1ccco1 TS32606 [0,0,0,0,1,0|2,0,1]=4 328 B9R1.13 CC(C)Cc1nccs1 TS06620 [0,0,0,0,1,0|1,0,0]=2 329 B9R1.13 CC(Cc1cccs1)O TS37625 [0,0,0,0,1,0|2,0,0]=3 330 B9R1.13 CC(Cn1ccnc1)O TS05171 [0,0,0,0,1,0|2,0,0]=3 331 B9R1.13 CN(C)C=C1C=CC=C1 TS04871 [0,0,0,0,1,0|1,0,1]=3 332 B9R1.13 CN(C)Cc1cccs1 TS06616 [0,0,0,0,1,0|2,0,0]=3 333 B9R1.13 C[C@@H](Cc1c[nH]cn1)N TS35022 [0,0,0,0,1,0|2,0,0]=3 334 B9R1.13 C[C@H](Cc1c[nH]cn1)N TS35021 [0,0,0,0,1,0|2,0,0]=3 335 B11R1.91 CC(=C)COc1ccccc1 TS07455 [0,0,0,0,0,1|1,0,2]=4 336 B11R1.91 CC(=C)CSc1ccccc1 TS42809 [0,0,0,0,0,1|1,0,2]=4 337 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [0,0,0,0,0,1|1,0,2]=4 338 B11R1.91 CC(=NNc1ccccc1)C TS40667 [0,0,0,0,0,1|2,0,1]=4 339 B11R1.91 CC(=O)CCc1ccccc1 TS40645 [0,0,0,0,0,1|2,0,1]=4 340 B11R1.91 CC(=O)COc1ccccc1 TS40853 [0,0,0,0,0,1|2,0,1]=4 341 B11R1.91 CC(=O)CSc1ccccc1 TS12279 [0,0,0,0,0,1|2,0,1]=4 342 B11R1.91 CC(=O)NCc1ccccc1 TS07571 [0,0,0,0,0,1|2,0,1]=4 343 B11R1.91 CC(=O)NCc1cccnc1 TS40869 [0,0,0,0,0,1|1,0,1]=3 344 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [0,0,0,0,0,1|2,0,1]=4 345 B11R1.91 CC(C#Cc1ccccc1)O TS07215 [0,0,0,0,0,1|2,0,1]=4 346 B11R1.91 CC(C)CCc1ccccc1 TS40689 [0,0,0,0,0,1|1,0,0]=2 347 B11R1.91 CC(C)N=Cc1ccccc1 TS40563 [0,0,0,0,0,1|1,0,1]=3 348 B11R1.91 CC(C)NCc1ccccc1 TS33065 [0,0,0,0,0,1|1,0,0]=2 349 B11R1.91 CC(CCc1ccccc1)N TS40782 [0,0,0,0,0,1|2,0,0]=3 350 B11R1.91 CC(CCc1ccccc1)O TS09764 [0,0,0,0,0,1|2,0,0]=3 351 B11R1.91 CC(COc1ccccc1)Cl TS45253 [0,0,0,0,0,1|2,0,0]=3 352 B11R1.91 CC(COc1ccccc1)N TS41032 [0,0,0,0,0,1|2,0,0]=3 353 B11R1.91 CN(C)C=Nc1ccccc1 TS40682 [0,0,0,0,0,1|2,0,1]=4 354 B11R1.91 CN(C)CCc1ccccc1 TS01931 [0,0,0,0,0,1|2,0,0]=3 355 B11R1.91 CN(C)CCc1ccccn1 TS09949 [0,0,0,0,0,1|3,0,0]=4 356 B11R1.91 CN(C)CCc1ccncc1 TS09942 [0,0,0,0,0,1|3,0,0]=4 357 B11R1.91 CN(C)N=Cc1ccccc1 TS40662 [0,0,0,0,0,1|2,0,1]=4 358 B11R1.91 C[C@@H](CCc1ccccc1)N TS40777 [0,0,0,0,0,1|2,0,0]=3 359 B11R1.91 C[C@H](CCc1ccccc1)N TS22961 [0,0,0,0,0,1|2,0,0]=3 360 B11R1.91 C[SiH](C)CCc1ccccc1 TS42818 [0,0,0,0,0,1|1,1,0]=3 361 B11R1.91 c1cc(cnc1)CCC(=O)O TS09416 [0,0,0,0,0,1|2,0,1]=4 362 B8R0.4 CCCC=CC=CC=O TS36011 [1,0,1,0,0,0|2,0,0]=4 363 B8R0.4 CCCC=CC=CCO TS36154 [1,0,1,0,0,0|2,0,0]=4 364 B8R1.2 C#Cc1cccnc1 TS16364 [2,0,0,0,0,0|0,0,2]=4 365 B8R1.2 C=Cc1cccnc1 TS31705 [2,0,0,0,0,0|0,0,2]=4 366 B8R1.2 CCC1=CCC=CC1 TS04142 [2,0,0,0,0,0|1,0,1]=4 367 B8R1.2 CC[n+]1ccccc1 TS40125 [2,0,0,0,0,0|2,0,0]=4 368 B8R1.2 CC[n+]1ccccc1 TS50650 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.2 CCc1ccccc1 TS04102 [2,0,0,0,0,0|1,0,0]=3 370 B8R1.2 CCc1ccccn1 TS55316 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.2 CCc1cccnc1 TS04113 [2,0,0,0,0,0|0,0,0]=2 372 B8R1.2 CCc1ccncc1 TS04110 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.2 CCc1cnccn1 TS31774 [2,0,0,0,0,0|1,0,0]=3 374 B8R1.2 CNc1ccccc1 TS31758 [2,0,0,0,0,0|2,0,0]=4 375 B8R1.2 CNc1ccccc1 TS40129 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.2 CNc1cccnc1 TS09432 [2,0,0,0,0,0|1,0,0]=3 377 B8R1.2 CNc1cnccn1 TS31803 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.2 COc1ccccc1 TS39801 [2,0,0,0,0,0|2,0,0]=4 379 B8R1.2 COc1cccnn1 TS02827 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.2 COc1cnccn1 TS55429 [2,0,0,0,0,0|2,0,0]=4 381 B8R1.2 CPc1ccccc1 TS32592 [2,0,0,0,0,0|2,0,0]=4 382 B8R1.2 CSc1ccccc1 TS36022 [2,0,0,0,0,0|2,0,0]=4 383 B8R1.2 CSc1cccnc1 TS05108 [2,0,0,0,0,0|1,0,0]=3 384 B8R1.2 CSc1cnccn1 TS55418 [2,0,0,0,0,0|2,0,0]=4 385 B8R1.2 C[NH2+]c1ccccc1 TS49917 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.2 C[SiH2]c1ccccc1 TS04929 [2,0,0,0,0,0|1,1,0]=4 387 B8R1.2 c1c(cncn1)CCl TS91001 [2,0,0,0,0,0|2,0,0]=4 388 B8R1.2 c1c(cncn1)CCl TS91653 [2,0,0,0,0,0|2,0,0]=4 389 B8R1.2 c1c(cncn1)CN TS55503 [2,0,0,0,0,0|2,0,0]=4 390 B8R1.2 c1c(cncn1)CO TS55504 [2,0,0,0,0,0|2,0,0]=4 391 B8R1.2 c1cc(cnc1)C#N TS02037 [2,0,0,0,0,0|1,0,1]=4 392 B8R1.2 c1cc(cnc1)CBr TS09437 [2,0,0,0,0,0|1,0,0]=3 393 B8R1.2 c1cc(cnc1)CCl TS00113 [2,0,0,0,0,0|1,0,0]=3 394 B8R1.2 c1cc(cnc1)CCl TS02031 [2,0,0,0,0,0|1,0,0]=3 395 B8R1.2 c1cc(cnc1)CI TS49544 [2,0,0,0,0,0|1,0,0]=3 396 B8R1.2 c1cc(cnc1)CI TS64566 [2,0,0,0,0,0|1,0,0]=3 397 B8R1.2 c1cc(cnc1)CN TS02883 [2,0,0,0,0,0|1,0,0]=3 398 B8R1.2 c1cc(cnc1)CO TS92960 [2,0,0,0,0,0|1,0,0]=3 399 B8R1.2 c1cc(cnc1)CO TS93835 [2,0,0,0,0,0|1,0,0]=3 400 B8R1.2 c1cc(cnc1)NN TS87727 [2,0,0,0,0,0|2,0,0]=4 401 B8R1.2 c1cc(nnc1)CCl TS90180 [2,0,0,0,0,0|2,0,0]=4 402 B8R1.2 c1cc(nnc1)CN TS90318 [2,0,0,0,0,0|2,0,0]=4 403 B8R1.2 c1cc(nnc1)CO TS59365 [2,0,0,0,0,0|2,0,0]=4 404 B8R1.2 c1ccc(cc1)CCl TS36191 [2,0,0,0,0,0|2,0,0]=4 405 B8R1.2 c1ccc(cc1)CF TS31826 [2,0,0,0,0,0|2,0,0]=4 406 B8R1.2 c1ccc(cc1)CI TS09176 [2,0,0,0,0,0|2,0,0]=4 407 B8R1.2 c1ccc(cc1)CN TS01379 [2,0,0,0,0,0|2,0,0]=4 408 B8R1.2 c1ccc(cc1)CN TS40124 [2,0,0,0,0,0|2,0,0]=4 409 B8R1.2 c1ccc(cc1)CO TS31769 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.2 c1ccc(cc1)CS TS36023 [2,0,0,0,0,0|2,0,0]=4 411 B8R1.2 c1cnc(cn1)CCl TS88127 [2,0,0,0,0,0|2,0,0]=4 412 B8R1.2 c1cnc(cn1)CN TS01661 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.2 c1cnc(cn1)CO TS88438 [2,0,0,0,0,0|2,0,0]=4 414 B8R1.2 c1cnc(cn1)CS TS36139 [2,0,0,0,0,0|2,0,0]=4 415 B8R1.2 c1cnncc1CN TS90837 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.2 c1cnncc1CO TS89532 [2,0,0,0,0,0|2,0,0]=4 417 B10R1.1 CCCc1ccc(cc1)Br TS54164 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.1 CCCc1ccc(cc1)C TS05929 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.1 CCCc1ccc(cc1)Cl TS41466 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.1 CCCc1ccc(cc1)F TS07665 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.1 CCCc1ccc(cc1)I TS27402 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.1 CCCc1ccc(cc1)N TS36955 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.1 CCCc1ccc(cc1)O TS06088 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.1 CCCc1cnc(nc1)Cl TS10802 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.1 CCCc1cnc(nc1)N TS06200 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.1 CCCc1cnc(nc1)S TS41415 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.1 CCNc1ccc(cc1)C TS36952 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.1 CCNc1ccc(cc1)Cl TS10637 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.1 CCOc1ccc(cc1)Br TS38042 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.1 CCOc1ccc(cc1)C TS06082 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.1 CCOc1ccc(cc1)Cl TS41721 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.1 CCOc1ccc(cc1)F TS37363 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.1 CCOc1ccc(cc1)I TS59517 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.1 CCOc1ccc(cc1)N TS33162 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.1 CCOc1ccc(cc1)N TS45702 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.1 CCOc1ccc(cc1)O TS06257 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.1 CCOc1ccc(nc1)Br TS19313 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.1 CCOc1ccc(nc1)Cl TS10915 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.1 CCOc1cnc(cn1)C TS06278 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.1 CCOc1cnc(nc1)Br TS90943 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.1 CCOc1cnc(nc1)Cl TS87445 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.1 CCSc1ccc(cc1)Br TS49222 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.1 CCSc1ccc(cc1)Cl TS13282 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.1 CNCc1ccc(cc1)Cl TS08033 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.1 COCc1ccc(cc1)F TS37375 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.1 CSCc1ccc(cc1)Cl TS13281 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.1 Cc1ccc(cc1)CCN TS36945 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.1 Cc1ccc(cc1)CCO TS06073 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.1 Cc1ccc(cc1)CNC TS01603 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.1 Cc1ccc(cn1)CCO TS06184 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.1 c1cc(ccc1CCBr)Br TS71001 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.1 c1cc(ccc1CCBr)Cl TS08144 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.1 c1cc(ccc1CCBr)F TS38380 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.1 c1cc(ccc1CCBr)O TS38051 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.1 c1cc(ccc1CCCl)F TS11092 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.1 c1cc(ccc1CCN)Br TS34272 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.1 c1cc(ccc1CCN)Br TS71000 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.1 c1cc(ccc1CCN)Cl TS10636 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.1 c1cc(ccc1CCN)Cl TS51403 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.1 c1cc(ccc1CCN)F TS03097 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.1 c1cc(ccc1CCN)F TS13760 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.1 c1cc(ccc1CCN)I TS27555 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.1 c1cc(ccc1CCN)N TS09521 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.1 c1cc(ccc1CCN)N TS37024 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.1 c1cc(ccc1CCN)O TS01822 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.1 c1cc(ccc1CCN)O TS39727 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.1 c1cc(ccc1CCO)Br TS16460 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.1 c1cc(ccc1CCO)F TS39509 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.1 c1cc(ccc1CCO)N TS39616 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.1 c1cc(ccc1CCO)O TS47066 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.1 c1cc(ncc1CC#N)Cl TS00897 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.4 CCCc1ccccc1C TS05927 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.4 CCCc1ccccc1N TS36961 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.4 CCCc1ccccc1O TS06077 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.4 CCCn1ccccc1=O TS37115 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.4 CCNc1ccccc1C TS06011 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.4 CCNc1ccccc1F TS37294 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.4 CCOc1c(nccn1)C TS37192 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.4 CCOc1ccccc1Br TS39657 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.4 CCOc1ccccc1Cl TS41727 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.4 CCOc1ccccc1F TS37374 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.4 CCOc1ccccc1N TS37118 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.4 CCOc1ccccc1N TS45700 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.4 CCOc1ccccc1O TS06253 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.4 CCOc1ccccc1S TS41408 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.4 CCOc1cccnc1Br TS19312 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.4 CCOc1cccnc1N TS37190 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.4 CCOc1cnccc1Br TS38195 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.4 CCSc1ccccc1Br TS49221 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.4 CCSc1ccccc1O TS41412 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.4 CNCc1ccccc1Cl TS56333 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.4 CNCc1ccccc1O TS45699 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.4 COCc1ccccc1F TS37369 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.4 Cc1c(cccn1)CCO TS37129 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.4 Cc1ccccc1CCBr TS54167 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.4 Cc1ccccc1CCO TS37017 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.4 Cc1ccccc1CNC TS36965 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.4 c1cc(c(nc1)Cl)CC#N TS86278 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.4 c1ccc(c(c1)CCBr)Cl TS55287 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.4 c1ccc(c(c1)CCBr)F TS01032 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.4 c1ccc(c(c1)CCN)Br TS37849 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.4 c1ccc(c(c1)CCN)Cl TS10628 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.4 c1ccc(c(c1)CCN)F TS37288 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.4 c1ccc(c(c1)CCN)F TS37293 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.4 c1ccc(c(c1)CCN)N TS06107 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.4 c1ccc(c(c1)CCN)O TS37108 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.4 c1ccc(c(c1)CCO)Br TS38054 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.4 c1ccc(c(c1)CCO)Cl TS41724 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.4 c1ccc(c(c1)CCO)F TS37364 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.4 c1ccc(c(c1)CCO)N TS37117 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.4 c1ccc(c(c1)CCO)O TS55402 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.10 CCCc1cccc(c1)C TS36863 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.10 CCCc1cccc(c1)O TS70692 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.10 CCCc1cccc(n1)N TS55636 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.10 CCCc1ccnc(c1)N TS06105 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.10 CCNc1cccc(c1)C TS06008 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.10 CCOc1cc(cnc1)Br TS32931 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.10 CCOc1cccc(c1)Br TS65957 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.10 CCOc1cccc(c1)C TS06098 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.10 CCOc1cccc(c1)F TS37372 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.10 CCOc1cccc(c1)N TS37121 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.10 CCOc1cccc(c1)O TS06261 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.10 CCOc1cccc(c1)S TS41409 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.10 CCOc1cncc(n1)C TS37188 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.10 CNCc1cc(cnc1)Br TS19151 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.10 CNCc1cccc(c1)Cl TS08974 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.10 CNCc1cccc(c1)N TS37043 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.10 COCc1cccc(c1)F TS37370 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.10 Cc1cccc(c1)CCBr TS54163 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.10 Cc1cccc(c1)CCN TS45399 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.10 Cc1cccc(c1)CCN TS70669 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.10 Cc1cccc(c1)CCO TS37008 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.10 Cc1cccc(c1)CNC TS36964 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.10 c1c(cncc1Br)CC#N TS08044 [1,1,0,0,0,0|1,0,1]=4 537 B10R1.10 c1c(cncc1Br)CNN TS92508 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.10 c1c(cncc1F)CC#N TS90421 [1,1,0,0,0,0|1,0,1]=4 539 B10R1.10 c1cc(cc(c1)Br)CCN TS09479 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.10 c1cc(cc(c1)Br)CCN TS37842 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.10 c1cc(cc(c1)Br)CCO TS65956 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.10 c1cc(cc(c1)Cl)CCBr TS08143 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.10 c1cc(cc(c1)Cl)CCN TS41558 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.10 c1cc(cc(c1)Cl)CCO TS10796 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.10 c1cc(cc(c1)F)CCBr TS32877 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.10 c1cc(cc(c1)F)CCN TS70600 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.10 c1cc(cc(c1)F)CCO TS37362 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.10 c1cc(cc(c1)N)CCO TS06195 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.10 c1cc(cc(c1)O)CCN TS39688 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.10 c1cc(cc(c1)O)CCO TS06255 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.10 c1cc(cc(c1)O)CCO TS06258 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.15 CC(CBr)c1ccccc1 TS54166 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.15 CC(CN)c1ccccc1 TS36949 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.15 CC(CO)c1ccccc1 TS06093 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.15 CCC(=C)c1ccccc1 TS36703 [1,1,0,0,0,0|1,0,1]=4 556 B10R1.15 CCC(=O)c1ccccc1 TS00059 [1,1,0,0,0,0|1,0,1]=4 557 B10R1.15 CCC(=O)c1cccnc1 TS36927 [1,1,0,0,0,0|0,0,1]=3 558 B10R1.15 CCC(=O)c1cnccn1 TS88981 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.15 CCC(C)c1ccccc1 TS36864 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.15 CCC(C)c1cnccn1 TS37025 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.15 CCC(c1ccccc1)N TS36947 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.15 CCC(c1ccccc1)O TS37007 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.15 CCC(c1ccncc1)N TS06101 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.15 CCC(c1cnccn1)N TS90912 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.15 CCN(C)c1ccccc1 TS36948 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.15 CCN(c1ccccc1)N TS06110 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.15 CNC(=O)c1cccnc1 TS06060 [1,1,0,0,0,0|1,0,1]=4 570 B10R1.15 COC(=O)c1cccnc1 TS37100 [1,1,0,0,0,0|1,0,1]=4 571 B10R1.15 C[C@@H](CN)c1ccccc1 TS08913 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.15 C[C@H](CN)c1ccccc1 TS08921 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.15 C[C@H](C[NH-])c1ccccc1 TS40751 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.15 c1cc(cnc1)C(=O)CBr TS09434 [1,1,0,0,0,0|1,0,1]=4 579 B10R1.15 c1cc(cnc1)C(=O)CCl TS94820 [1,1,0,0,0,0|1,0,1]=4 580 B10R1.15 c1cc(cnc1)C(CN)O TS37204 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.15 c1cc(cnc1)[C@H](CCl)O TS10916 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.15 c1ccc(cc1)C(CBr)Br TS29982 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.15 c1ccc(cc1)C(CBr)O TS08926 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.15 c1ccc(cc1)C(CN)Cl TS41559 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.15 c1ccc(cc1)C(CN)N TS37030 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.15 c1ccc(cc1)C(CO)O TS06242 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.15 c1ccc(cc1)[C@@H](CCl)O TS10799 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.15 c1ccc(cc1)[C@@H](CO)O TS08646 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.15 c1ccc(cc1)[C@H](CCl)O TS41718 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.15 c1ccc(cc1)[C@H](CO)O TS59488 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.17 C#CCCc1ccccc1 TS36511 [1,1,0,0,0,0|1,0,1]=4 599 B10R1.17 C=CCCc1ccccc1 TS36707 [1,1,0,0,0,0|1,0,1]=4 600 B10R1.17 CC=CCc1ccccc1 TS36709 [1,1,0,0,0,0|1,0,1]=4 601 B10R1.17 CCC#Cc1ccccc1 TS36516 [1,1,0,0,0,0|1,0,1]=4 602 B10R1.17 CCC=Cc1ccccc1 TS36700 [1,1,0,0,0,0|1,0,1]=4 603 B10R1.17 CCCC[n+]1ccccc1 TS21989 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.17 CCCC[n+]1ccccc1 TS45400 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.17 CCCCc1ccccc1 TS36870 [1,1,0,0,0,0|1,0,0]=3 606 B10R1.17 CCCCc1ccccn1 TS06002 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.17 CCCCc1cccnc1 TS06012 [1,1,0,0,0,0|0,0,0]=2 608 B10R1.17 CCCCc1ccncc1 TS06014 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.17 CCCNc1ccccc1 TS36942 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.17 CCCOc1ccccc1 TS37010 [1,1,0,0,0,0|1,0,0]=3 611 B10R1.17 CCCSc1ccccc1 TS41194 [1,1,0,0,0,0|1,0,0]=3 612 B10R1.17 CCN=Cc1ccccc1 TS05847 [1,1,0,0,0,0|1,0,1]=4 613 B10R1.17 CCNCc1ccccc1 TS06015 [1,1,0,0,0,0|1,0,0]=3 614 B10R1.17 CCNCc1ccncc1 TS37037 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.17 CCOCc1ccccc1 TS37009 [1,1,0,0,0,0|1,0,0]=3 616 B10R1.17 CCSCc1ccccc1 TS41200 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.17 CNCCc1ccccc1 TS01606 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.17 CNCCc1ccccn1 TS37041 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.17 CNCCc1ccccn1 TS63536 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.17 CNCCc1ccccn1 TS65180 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.17 CNCCc1cccnc1 TS08004 [1,1,0,0,0,0|0,0,0]=2 622 B10R1.17 CNCCc1ccncc1 TS37035 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.17 COCCc1ccccc1 TS06081 [1,1,0,0,0,0|1,0,0]=3 624 B10R1.17 COCCc1ccccn1 TS06192 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.17 COCOc1ccccc1 TS06260 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.17 COCOc1cccnc1 TS06375 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.17 COCSc1ccccc1 TS10468 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.17 CSCOc1ccccc1 TS10467 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.17 CSSCc1ccccc1 TS12900 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.17 [C-]#[N+]CCc1ccccc1 TS05666 [1,1,0,0,0,0|1,0,1]=4 631 B10R1.17 c1cc(cnc1)C=CCCl TS12428 [1,1,0,0,0,0|0,0,2]=4 632 B10R1.17 c1cc(cnc1)CCC#N TS05740 [1,1,0,0,0,0|0,0,1]=3 633 B10R1.17 c1cc(cnc1)CCCO TS37116 [1,1,0,0,0,0|0,0,0]=2 634 B10R1.17 c1cc(cnc1)CN=C=S TS25028 [1,1,0,0,0,0|1,0,1]=4 635 B10R1.17 c1ccc(cc1)CCC#N TS56176 [1,1,0,0,0,0|1,0,1]=4 636 B10R1.17 c1ccc(cc1)CCC=O TS01796 [1,1,0,0,0,0|1,0,1]=4 637 B10R1.17 c1ccc(cc1)CCCCl TS41470 [1,1,0,0,0,0|1,0,0]=3 638 B10R1.17 c1ccc(cc1)CCCN TS36954 [1,1,0,0,0,0|1,0,0]=3 639 B10R1.17 c1ccc(cc1)CCCO TS37013 [1,1,0,0,0,0|1,0,0]=3 640 B10R1.17 c1ccc(cc1)CCCS TS41196 [1,1,0,0,0,0|1,0,0]=3 641 B10R1.17 c1ccc(cc1)CCNN TS06106 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.17 c1ccc(cc1)COCCl TS39818 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.17 c1ccc(cc1)CSCBr TS22173 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.17 c1ccc(cc1)CSCCl TS13275 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.17 c1ccc(cc1)NCCN TS37036 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.17 c1ccc(cc1)NCCO TS37110 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.17 c1ccc(cc1)OCCBr TS55768 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.17 c1ccc(cc1)OCCCl TS10798 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.17 c1ccc(cc1)OCCN TS65630 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.17 c1ccc(cc1)OCCO TS06243 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.17 c1ccc(cc1)SCCBr TS49223 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.17 c1ccc(cc1)SCCCl TS13277 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.17 c1ccc(cc1)SCCO TS10471 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.17 c1ccnc(c1)CCCCl TS10631 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.17 c1ccnc(c1)CCCO TS02471 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.17 c1cnccc1CCCN TS37023 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.17 c1cnccc1CCCO TS37120 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [0,1,0,0,1,0|1,0,1]=4 659 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [0,1,0,0,1,0|1,0,1]=4 660 B10R1.13 CC(C)c1ccc(cc1)Br TS00030 [0,1,0,0,1,0|1,0,0]=3 661 B10R1.13 CC(C)c1ccc(cc1)F TS06283 [0,1,0,0,1,0|1,0,0]=3 662 B10R1.13 CC(C)c1ccc(cc1)I TS27405 [0,1,0,0,1,0|1,0,0]=3 663 B10R1.13 CC(C)c1ccc(cc1)N TS39757 [0,1,0,0,1,0|1,0,0]=3 664 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [0,1,0,0,1,0|1,0,0]=3 665 B10R1.13 CC(C)c1ccc(cc1)S TS41192 [0,1,0,0,1,0|1,0,0]=3 666 B10R1.13 CC(C)c1ccc(cn1)N TS88530 [0,1,0,0,1,0|2,0,0]=4 667 B10R1.13 CC(C)c1ccc(cn1)O TS06186 [0,1,0,0,1,0|2,0,0]=4 668 B10R1.13 CC(C)c1cnc(nc1)N TS71578 [0,1,0,0,1,0|1,0,0]=3 669 B10R1.13 CC(c1ccc(cc1)Cl)N TS10633 [0,1,0,0,1,0|2,0,0]=4 670 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [0,1,0,0,1,0|2,0,0]=4 671 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [0,1,0,0,1,0|2,0,0]=4 672 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [0,1,0,0,1,0|2,0,0]=4 673 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [0,1,0,0,1,0|2,0,0]=4 674 B10R1.13 CN(C)c1ccc(cc1)Br TS39551 [0,1,0,0,1,0|2,0,0]=4 675 B10R1.13 CN(C)c1ccc(cc1)F TS37295 [0,1,0,0,1,0|2,0,0]=4 676 B10R1.13 CN(C)c1ccc(cc1)I TS27558 [0,1,0,0,1,0|2,0,0]=4 677 B10R1.13 CN(C)c1ccc(cc1)N TS24168 [0,1,0,0,1,0|2,0,0]=4 678 B10R1.13 CN(C)c1ccc(cc1)N TS37038 [0,1,0,0,1,0|2,0,0]=4 679 B10R1.13 CN(C)c1ccc(cc1)S TS10342 [0,1,0,0,1,0|2,0,0]=4 680 B10R1.13 C[C@@H](c1ccc(cc1)Br)N TS08104 [0,1,0,0,1,0|2,0,0]=4 681 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [0,1,0,0,1,0|2,0,0]=4 682 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N TS41561 [0,1,0,0,1,0|2,0,0]=4 683 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [0,1,0,0,1,0|2,0,0]=4 684 B10R1.13 C[C@@H](c1ccc(cc1)F)N TS39575 [0,1,0,0,1,0|2,0,0]=4 685 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [0,1,0,0,1,0|2,0,0]=4 686 B10R1.13 C[C@@H](c1ccc(cc1)N)N TS20700 [0,1,0,0,1,0|2,0,0]=4 687 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [0,1,0,0,1,0|2,0,0]=4 688 B10R1.13 C[C@H](c1ccc(cc1)Cl)N TS10630 [0,1,0,0,1,0|2,0,0]=4 689 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [0,1,0,0,1,0|2,0,0]=4 690 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [0,1,0,0,1,0|2,0,0]=4 691 B10R1.13 C[C@H](c1ccc(cc1)N)N TS20699 [0,1,0,0,1,0|2,0,0]=4 692 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [0,1,0,0,1,0|1,0,0]=3 693 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [0,1,0,0,1,0|1,0,0]=3 694 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [0,1,0,0,1,0|2,0,0]=4 695 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [0,1,0,0,1,0|2,0,0]=4 696 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [0,1,0,0,1,0|2,0,0]=4 697 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [0,1,0,0,1,0|2,0,0]=4 698 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [0,1,0,0,1,0|2,0,0]=4 699 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [0,1,0,0,1,0|2,0,0]=4 700 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [0,1,0,0,1,0|1,0,1]=4 701 B10R1.28 CC(C)(C)c1ccccc1 TS36860 [0,1,0,0,1,0|1,0,0]=3 702 B10R1.28 CC(C)(C)c1ccccn1 TS06013 [0,1,0,0,1,0|2,0,0]=4 703 B10R1.28 CC(C)(C)c1ccncc1 TS02251 [0,1,0,0,1,0|2,0,0]=4 704 B10R1.28 CC(C)(C)c1cnccn1 TS37029 [0,1,0,0,1,0|1,0,0]=3 705 B10R1.28 CC(C)(c1ccccc1)Cl TS55727 [0,1,0,0,1,0|1,0,0]=3 706 B10R1.28 CC(C)(c1ccccc1)N TS01396 [0,1,0,0,1,0|1,0,0]=3 707 B10R1.28 CC(C)(c1ccccc1)O TS37014 [0,1,0,0,1,0|1,0,0]=3 708 B10R1.28 CC(C)(c1ccccc1)S TS41195 [0,1,0,0,1,0|1,0,0]=3 709 B10R1.28 CC(C)(c1ccccn1)O TS37126 [0,1,0,0,1,0|2,0,0]=4 710 B10R1.28 CC(C)(c1cccnc1)N TS06108 [0,1,0,0,1,0|0,0,0]=2 711 B10R1.28 CC(C)(c1ccncc1)O TS37127 [0,1,0,0,1,0|2,0,0]=4 712 B10R1.28 C[Ge](C)(C)c1ccccc1 TS17979 [0,1,0,0,1,0|1,1,0]=4 713 B10R1.28 C[Ge](C)(c1ccccc1)Cl TS44679 [0,1,0,0,1,0|1,1,0]=4 714 B10R1.28 C[N+](C)(C)c1ccccc1 TS13087 [0,1,0,0,1,0|2,0,0]=4 715 B10R1.28 C[N+](C)(C)c1ccccc1 TS21988 [0,1,0,0,1,0|2,0,0]=4 716 B10R1.28 C[N+](C)(C)c1ccccc1 TS27630 [0,1,0,0,1,0|2,0,0]=4 717 B10R1.28 C[N+](C)(C)c1ccccc1 TS41300 [0,1,0,0,1,0|2,0,0]=4 718 B10R1.28 C[Si](C)(C)c1ccccc1 TS40935 [0,1,0,0,1,0|1,1,0]=4 719 B10R1.28 C[Si](C)(c1ccccc1)Cl TS12944 [0,1,0,0,1,0|1,1,0]=4 720 B10R1.28 C[Si](C)(c1ccccc1)F TS41455 [0,1,0,0,1,0|1,1,0]=4 721 B10R1.28 C[Sn](C)(C)c1ccccc1 TS57483 [0,1,0,0,1,0|2,0,0]=4 722 B10R1.28 c1cc(cnc1)C(F)(F)F TS02515 [0,1,0,0,1,0|2,0,0]=4 723 B10R1.61 CC(=O)c1cccnc1Br TS18940 [0,1,0,0,1,0|1,0,1]=4 724 B10R1.61 CC(=O)c1cccnc1Cl TS10617 [0,1,0,0,1,0|1,0,1]=4 725 B10R1.61 CC(=O)c1cccnc1F TS02616 [0,1,0,0,1,0|1,0,1]=4 726 B10R1.61 CC(=O)c1cccnc1N TS08276 [0,1,0,0,1,0|1,0,1]=4 727 B10R1.61 CC(=O)c1cnccc1F TS37273 [0,1,0,0,1,0|1,0,1]=4 728 B10R1.61 CC(C)c1ccccc1Br TS46918 [0,1,0,0,1,0|1,0,0]=3 729 B10R1.61 CC(C)c1ccccc1F TS06286 [0,1,0,0,1,0|1,0,0]=3 730 B10R1.61 CC(C)c1ccccc1I TS27403 [0,1,0,0,1,0|1,0,0]=3 731 B10R1.61 CC(C)c1ccccc1N TS06016 [0,1,0,0,1,0|1,0,0]=3 732 B10R1.61 CC(C)c1ccccc1O TS06094 [0,1,0,0,1,0|1,0,0]=3 733 B10R1.61 CC(C)c1ccccc1S TS41199 [0,1,0,0,1,0|1,0,0]=3 734 B10R1.61 CC(C)c1ccccc1[Zn+] TS60954 [0,1,0,0,1,0|1,0,0]=3 735 B10R1.61 CC(c1ccccc1Br)O TS38045 [0,1,0,0,1,0|2,0,0]=4 736 B10R1.61 CC(c1ccccc1Cl)N TS10635 [0,1,0,0,1,0|2,0,0]=4 737 B10R1.61 CC(c1ccccc1Cl)O TS41730 [0,1,0,0,1,0|2,0,0]=4 738 B10R1.61 CC(c1ccccc1F)N TS37297 [0,1,0,0,1,0|2,0,0]=4 739 B10R1.61 CC(c1ccccc1F)O TS08150 [0,1,0,0,1,0|2,0,0]=4 740 B10R1.61 CC(c1cccnc1Br)N TS19152 [0,1,0,0,1,0|1,0,0]=3 741 B10R1.61 CC(c1cccnc1N)O TS37203 [0,1,0,0,1,0|1,0,0]=3 742 B10R1.61 CN(C)c1ccccc1Br TS37850 [0,1,0,0,1,0|2,0,0]=4 743 B10R1.61 CN(C)c1ccccc1Cl TS10629 [0,1,0,0,1,0|2,0,0]=4 744 B10R1.61 CN(C)c1ccccc1F TS37299 [0,1,0,0,1,0|2,0,0]=4 745 B10R1.61 C[C@@H](c1ccccc1Br)O TS38041 [0,1,0,0,1,0|2,0,0]=4 746 B10R1.61 C[C@@H](c1ccccc1Cl)O TS41717 [0,1,0,0,1,0|2,0,0]=4 747 B10R1.61 C[C@@H](c1ccccc1F)N TS08101 [0,1,0,0,1,0|2,0,0]=4 748 B10R1.61 C[C@@H](c1ccccc1F)O TS06459 [0,1,0,0,1,0|2,0,0]=4 749 B10R1.61 C[C@H](c1ccccc1Cl)N TS51402 [0,1,0,0,1,0|2,0,0]=4 750 B10R1.61 C[C@H](c1ccccc1Cl)O TS10795 [0,1,0,0,1,0|2,0,0]=4 751 B10R1.61 C[C@H](c1ccccc1F)N TS08914 [0,1,0,0,1,0|2,0,0]=4 752 B10R1.61 C[C@H](c1ccccc1F)O TS37366 [0,1,0,0,1,0|2,0,0]=4 753 B10R1.61 Cc1ccccc1C(C)N TS36951 [0,1,0,0,1,0|2,0,0]=4 754 B10R1.61 Cc1ccccc1C(C)O TS37021 [0,1,0,0,1,0|2,0,0]=4 755 B10R1.61 Cc1ccccc1N(C)C TS06004 [0,1,0,0,1,0|2,0,0]=4 756 B10R1.61 Cc1ccccc1[C@@H](C)N TS45398 [0,1,0,0,1,0|2,0,0]=4 757 B10R1.61 Cc1ccccc1[C@H](C)N TS45395 [0,1,0,0,1,0|2,0,0]=4 758 B10R1.113 CC(=O)c1cc(cnc1)Br TS08180 [0,1,0,0,1,0|1,0,1]=4 759 B10R1.113 CC(=O)c1cc(cnc1)F TS37264 [0,1,0,0,1,0|1,0,1]=4 760 B10R1.113 CC(C)c1cccc(c1)Br TS54165 [0,1,0,0,1,0|1,0,0]=3 761 B10R1.113 CC(C)c1cccc(c1)N TS36962 [0,1,0,0,1,0|1,0,0]=3 762 B10R1.113 CC(C)c1cccc(c1)O TS06076 [0,1,0,0,1,0|1,0,0]=3 763 B10R1.113 CC(C)c1cccc(n1)Cl TS55266 [0,1,0,0,1,0|2,0,0]=4 764 B10R1.113 CC(C)c1cccc(n1)N TS01246 [0,1,0,0,1,0|2,0,0]=4 765 B10R1.113 CC(c1cccc(c1)Br)N TS37847 [0,1,0,0,1,0|2,0,0]=4 766 B10R1.113 CC(c1cccc(c1)Br)O TS38052 [0,1,0,0,1,0|2,0,0]=4 767 B10R1.113 CC(c1cccc(c1)Cl)O TS41713 [0,1,0,0,1,0|2,0,0]=4 768 B10R1.113 CC(c1cccc(c1)F)N TS37298 [0,1,0,0,1,0|2,0,0]=4 769 B10R1.113 CC(c1cccc(c1)F)O TS37373 [0,1,0,0,1,0|2,0,0]=4 770 B10R1.113 CC(c1cccc(c1)N)N TS37034 [0,1,0,0,1,0|2,0,0]=4 771 B10R1.113 CC(c1cccc(c1)N)O TS37125 [0,1,0,0,1,0|2,0,0]=4 772 B10R1.113 CN(C)c1cccc(c1)Br TS37848 [0,1,0,0,1,0|2,0,0]=4 773 B10R1.113 CN(C)c1cccc(c1)Cl TS10632 [0,1,0,0,1,0|2,0,0]=4 774 B10R1.113 CN(C)c1cccc(c1)N TS20698 [0,1,0,0,1,0|2,0,0]=4 775 B10R1.113 CN(C)c1cccc(c1)O TS06190 [0,1,0,0,1,0|2,0,0]=4 776 B10R1.113 CN(C)c1cccc(c1)S TS10347 [0,1,0,0,1,0|2,0,0]=4 777 B10R1.113 C[C@@H](c1cccc(c1)Br)O TS38053 [0,1,0,0,1,0|2,0,0]=4 778 B10R1.113 C[C@@H](c1cccc(c1)Cl)N TS08102 [0,1,0,0,1,0|2,0,0]=4 779 B10R1.113 C[C@@H](c1cccc(c1)F)N TS08103 [0,1,0,0,1,0|2,0,0]=4 780 B10R1.113 C[C@@H](c1cccc(c1)F)N TS13761 [0,1,0,0,1,0|2,0,0]=4 781 B10R1.113 C[C@H](c1cccc(c1)Br)O TS38040 [0,1,0,0,1,0|2,0,0]=4 782 B10R1.113 C[C@H](c1cccc(c1)Cl)N TS46592 [0,1,0,0,1,0|2,0,0]=4 783 B10R1.113 C[C@H](c1cccc(c1)F)N TS46593 [0,1,0,0,1,0|2,0,0]=4 784 B10R1.113 C[C@H](c1cccc(c1)N)N TS06099 [0,1,0,0,1,0|2,0,0]=4 785 B10R1.113 Cc1cccc(c1)C(C)O TS37016 [0,1,0,0,1,0|2,0,0]=4 786 B10R1.113 Cc1cccc(c1)N(C)C TS36944 [0,1,0,0,1,0|2,0,0]=4 787 B10R1.113 Cc1cccc(c1)[C@@H](C)N TS45396 [0,1,0,0,1,0|2,0,0]=4 788 B10R1.113 Cc1cccc(c1)[C@H](C)N TS45397 [0,1,0,0,1,0|2,0,0]=4 789 B10R1.27 c1c(nc[nH]1)C[C@@H](CO)N TS21616 [0,1,0,0,1,0|2,0,0]=4 790 B10R1.27 c1c(nc[nH]1)C[C@H](CO)N TS21615 [0,1,0,0,1,0|2,0,0]=4 791 B10R1.54 Cc1ccc(o1)CN(C)C TS37308 [0,1,0,0,1,0|2,0,0]=4 792 B10R1.54 Cc1csc(n1)CC(C)C TS41536 [0,1,0,0,1,0|1,0,0]=3 793 B10R1.64 Cn1cccc1CN(C)C TS37228 [0,1,0,0,1,0|1,0,1]=4 794 B12R1.21 CC(C)CCc1ccc(cc1)O TS42796 [0,1,0,0,0,1|1,0,0]=3 795 B12R1.21 CC(C)CNc1ccc(nn1)Cl TS15537 [0,1,0,0,0,1|1,0,0]=3 796 B12R1.21 CC(C)NCc1ccc(cc1)F TS12408 [0,1,0,0,0,1|1,0,0]=3 797 B12R1.21 CN(C)CCc1ccc(cc1)N TS11929 [0,1,0,0,0,1|2,0,0]=4 798 B12R1.21 CN(C)CCc1ccc(cc1)O TS12065 [0,1,0,0,0,1|2,0,0]=4 799 B12R1.21 CN(C)CCc1ccc(cc1)O TS38185 [0,1,0,0,0,1|2,0,0]=4 800 B12R1.21 CN(C)CCc1ccc(cc1)O TS70070 [0,1,0,0,0,1|2,0,0]=4 801 B12R1.21 C[C@@H](CCc1ccc(cc1)O)N TS42954 [0,1,0,0,0,1|2,0,0]=4 802 B12R1.21 C[C@H](CCc1ccc(cc1)O)O TS93838 [0,1,0,0,0,1|2,0,0]=4 803 B12R1.21 Cc1ccc(cc1)OCC(C)O TS12268 [0,1,0,0,0,1|2,0,0]=4 804 B12R1.27 CC(CCc1ccccc1)[N+]#[C-] TS42077 [0,1,0,0,0,1|1,0,1]=4 805 B12R1.27 CC(CO)NCc1ccccc1 TS12060 [0,1,0,0,0,1|1,0,0]=3 806 B12R1.27 C[C@@H](CO)NCc1ccccc1 TS42935 [0,1,0,0,0,1|1,0,0]=3 807 B12R1.27 c1ccc(cc1)OCC(CN)O TS43251 [0,1,0,0,0,1|2,0,0]=4 808 B12R1.27 c1ccc(cc1)OCC(CO)O TS44861 [0,1,0,0,0,1|2,0,0]=4 809 B12R1.43 CC(C)C(=O)Cc1ccccc1 TS11588 [0,1,0,0,0,1|1,0,0]=3 810 B12R1.43 CC(C)C(=O)Oc1ccccc1 TS11856 [0,1,0,0,0,1|1,0,1]=4 811 B12R1.43 CN(C)C(=O)Cc1ccccc1 TS42597 [0,1,0,0,0,1|2,0,0]=4 812 B12R1.43 CN(C)C(=O)Oc1cccnc1 TS12239 [0,1,0,0,0,1|1,0,1]=4 813 B12R1.107 CC(C)CC(c1ccccc1)N TS42635 [0,1,0,0,0,1|1,0,0]=3 814 B12R1.107 CC(C)N=C(C)c1ccccc1 TS42351 [0,1,0,0,0,1|1,0,1]=4 815 B12R1.107 CC(C)OC(=O)c1ccccc1 TS11876 [0,1,0,0,0,1|1,0,1]=4 816 B12R1.107 CC(C)OC(=O)c1cccnc1 TS42894 [0,1,0,0,0,1|0,0,1]=3 817 B12R1.107 CN(C)C[C@H](c1ccccc1)O TS42950 [0,1,0,0,0,1|2,0,0]=4 818 B12R1.107 C[C@@H](c1ccccc1)NC(C)C TS37829 [0,1,0,0,0,1|1,0,0]=3 819 B12R1.107 C[C@H](c1ccccc1)NC(C)C TS37827 [0,1,0,0,0,1|1,0,0]=3 820 B12R1.107 C[S+](C)CC(=O)c1ccccc1 TS29651 [0,1,0,0,0,1|2,0,0]=4 821 B12R1.107 C[S+](C)CC(=O)c1ccccc1 TS30492 [0,1,0,0,0,1|2,0,0]=4 822 B12R1.125 Cc1ccccc1OCC(C)O TS12256 [0,1,0,0,0,1|2,0,0]=4 823 B12R1.226 Cc1cccc(c1)OCC(C)O TS43103 [0,1,0,0,0,1|2,0,0]=4 824 B12R1.891 CC(C)(C#Cc1ccccc1)O TS42198 [0,1,0,0,0,1|1,0,1]=4 825 B12R1.891 CC(C)(C)N=Cc1ccccc1 TS42348 [0,1,0,0,0,1|1,0,1]=4 826 B12R1.891 CC(C)(C)NCc1ccccc1 TS42633 [0,1,0,0,0,1|1,0,0]=3 827 B12R1.891 CC(C)(C)NSc1ccccc1 TS48131 [0,1,0,0,0,1|2,0,0]=4 828 B12R1.891 CC(C)(CCc1ccccc1)O TS42782 [0,1,0,0,0,1|1,0,0]=3 829 B12R1.891 C[Si](C)(C)C#Cc1cccnc1 TS46018 [0,1,0,0,0,1|0,1,1]=4 830 B12R1.891 C[Si](C)(C)C[Se]c1ccccc1 TS57864 [0,1,0,0,0,1|1,1,0]=4 831 B12R1.891 C[Si](C)(C)OCc1ccccc1 TS47979 [0,1,0,0,0,1|1,1,0]=4 832 B12R1.891 C[Si](C)(CCc1ccccc1)Cl TS18747 [0,1,0,0,0,1|1,1,0]=4 833 B12R1.4 CC(C)Cc1ccc(cc1)C=O TS09724 [0,2,0,0,0,0|1,0,0]=3 834 B12R1.4 CC(C)Nc1ccc(cc1)OC TS12073 [0,2,0,0,0,0|2,0,0]=4 835 B12R1.4 CC(C)Oc1ccc(cc1)C=O TS09726 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.4 CC(C)Oc1ccc(cc1)NN TS19493 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.4 CC(Cc1ccc(cc1)OC)N TS42953 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N TS12061 [0,2,0,0,0,0|2,0,0]=4 839 B12R1.19 CC(C)Oc1ccc(c(c1)F)F TS13131 [0,2,0,0,0,0|2,0,0]=4 840 B12R1.19 CC(C)Oc1ccc(c(c1)F)N TS38897 [0,2,0,0,0,0|2,0,0]=4 841 B12R1.19 Cc1c(nc(cn1)CC(C)C)C TS11937 [0,2,0,0,0,0|1,0,0]=3 842 B12R1.20 CC(C(c1ccc(cc1)Cl)O)N TS65020 [0,2,0,0,0,0|2,0,0]=4 843 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl TS48369 [0,2,0,0,0,0|1,0,1]=4 844 B12R1.20 CC(C)C(=O)c1ccc(cc1)F TS08678 [0,2,0,0,0,0|1,0,1]=4 845 B12R1.20 C[C@H]([C@H](c1ccc(cc1)O)O)N TS38510 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.49 CC(Cc1ccc(cc1)O)NC TS42944 [0,2,0,0,0,0|1,0,0]=3 847 B12R1.49 CCC(C)Oc1ccc(cc1)Cl TS48693 [0,2,0,0,0,0|2,0,0]=4 848 B12R1.49 c1cc(ccc1CC(CO)N)Cl TS15533 [0,2,0,0,0,0|2,0,0]=4 849 B12R1.49 c1cc(ccc1C[C@@H](CO)N)Cl TS48808 [0,2,0,0,0,0|2,0,0]=4 850 B12R1.49 c1cc(ccc1C[C@H](CO)N)Cl TS15530 [0,2,0,0,0,0|2,0,0]=4 851 B12R1.49 c1cc(ccc1C[C@H](CO)N)O TS43238 [0,2,0,0,0,0|2,0,0]=4 852 B12R1.106 CC(C)(C)Cc1ccc(cc1)O TS11922 [0,2,0,0,0,0|1,0,0]=3 853 B12R1.106 CC(C)(C)Oc1ccc(cc1)Br TS24682 [0,2,0,0,0,0|2,0,0]=4 854 B12R1.106 CC(C)(C)Oc1ccc(cc1)Cl TS48688 [0,2,0,0,0,0|2,0,0]=4 855 B12R1.106 CC(C)(C)Sc1ccc(cc1)Br TS62135 [0,2,0,0,0,0|2,0,0]=4 856 B12R1.106 CC(C)(Cc1ccc(cc1)Cl)O TS48689 [0,2,0,0,0,0|1,0,0]=3 857 B12R1.106 CC(C)(Cc1ccc(cc1)F)N TS12409 [0,2,0,0,0,0|1,0,0]=3 858 B12R1.106 CC(C)(Cc1ccc(cc1)F)O TS44882 [0,2,0,0,0,0|1,0,0]=3 859 B12R1.106 Cc1ccc(cc1)CC(C)(C)O TS40916 [0,2,0,0,0,0|1,0,0]=3 860 B12R1.233 CC(C)Oc1ccc(cc1Br)F TS25335 [0,2,0,0,0,0|2,0,0]=4 861 B12R1.233 CC(C)Oc1ccc(cc1F)Br TS25336 [0,2,0,0,0,0|2,0,0]=4 862 B12R1.34 CC(C(=O)c1ccccc1)NC TS18909 [0,2,0,0,0,0|1,0,1]=4 863 B12R1.34 CC(C(c1ccccc1)O)NC TS42942 [0,2,0,0,0,0|1,0,0]=3 864 B12R1.34 CCC(C)C(c1ccccc1)O TS42791 [0,2,0,0,0,0|1,0,0]=3 865 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)NC TS38186 [0,2,0,0,0,0|1,0,0]=3 866 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)NC TS52646 [0,2,0,0,0,0|1,0,0]=3 867 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC TS38184 [0,2,0,0,0,0|1,0,0]=3 868 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC TS42938 [0,2,0,0,0,0|1,0,0]=3 869 B12R1.34 C[C@H]([C@H](c1ccccc1)O)NC TS16810 [0,2,0,0,0,0|1,0,0]=3 870 B12R1.225 CC(C)[C@H](c1cccc(c1)F)N TS07982 [0,2,0,0,0,0|1,0,0]=3 871 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N TS43239 [0,2,0,0,0,0|2,0,0]=4 872 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N TS61334 [0,2,0,0,0,0|2,0,0]=4 873 B12R1.478 CC(C)C(C#N)c1ccccc1 TS42072 [0,2,0,0,0,0|1,0,0]=3 874 B12R1.478 CC(C)C(C#N)c1ccccn1 TS11290 [0,2,0,0,0,0|2,0,0]=4 875 B12R1.478 CCN(c1ccccc1)C(C)C TS11749 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.478 CN(C)C(C#N)c1ccccc1 TS11291 [0,2,0,0,0,0|2,0,0]=4 877 B12R1.478 CN(C)C(CN)c1ccccc1 TS11946 [0,2,0,0,0,0|2,0,0]=4 878 B12R1.564 CC(C)(C(=O)c1ccccc1)Br TS52462 [0,2,0,0,0,0|1,0,1]=4 879 B12R1.564 CC(C)(C(=O)c1ccccc1)O TS11861 [0,2,0,0,0,0|1,0,1]=4 880 B12R1.564 CC(C)(C)C(=O)c1ccccc1 TS11595 [0,2,0,0,0,0|1,0,1]=4 881 B12R1.564 CC(C)(C)C(c1ccccc1)N TS11744 [0,2,0,0,0,0|1,0,0]=3 882 B12R1.564 CC(C)(C)C(c1ccccc1)O TS42795 [0,2,0,0,0,0|1,0,0]=3 883 B12R1.564 c1cc(cnc1)C(C(F)(F)F)N TS85180 [0,2,0,0,0,0|2,0,0]=4 884 B12R1.564 c1cc(cnc1)[C@@H](C(F)(F)F)N TS44252 [0,2,0,0,0,0|2,0,0]=4 885 B12R1.32 CCCC(C)Cc1ccccc1 TS11628 [0,2,0,0,0,0|1,0,0]=3 886 B12R1.32 CCNC(C)Cc1ccccc1 TS11746 [0,2,0,0,0,0|1,0,0]=3 887 B12R1.32 CCOC(=O)Cc1cccnc1 TS55929 [0,2,0,0,0,0|1,0,1]=4 888 B12R1.32 CN(CCN)Cc1ccccc1 TS64933 [0,2,0,0,0,0|2,0,0]=4 889 B12R1.32 CN(CCO)Cc1ccccc1 TS42946 [0,2,0,0,0,0|2,0,0]=4 890 B12R1.32 COC[C@H](Cc1ccccc1)N TS38188 [0,2,0,0,0,0|2,0,0]=4 891 B12R1.118 CCN(CC)Cc1ccccc1 TS42632 [0,2,0,0,0,0|2,0,0]=4 892 B12R1.118 COC(Cc1ccccc1)OC TS12247 [0,2,0,0,0,0|1,0,0]=3 893 B12R1.118 COC(OC)[SiH2]c1ccccc1 TS48321 [0,2,0,0,0,0|1,1,0]=4 894 B12R1.194 CC(C)(Cc1ccccc1)C=O TS11594 [0,2,0,0,0,0|1,0,0]=3 895 B12R1.194 CC(C)(Cc1ccccc1)NC TS11761 [0,2,0,0,0,0|1,0,0]=3 896 B12R1.194 CC(C)(Cc1ccccc1)NC TS69953 [0,2,0,0,0,0|1,0,0]=3 897 B12R1.75 CC(C)Cc1c(nccn1)OC TS43126 [0,2,0,0,0,0|1,0,0]=3 898 B12R1.75 CC(Cc1ccccc1OC)N TS39991 [0,2,0,0,0,0|2,0,0]=4 899 B12R1.127 CC(C)Oc1cc(ccc1N)F TS38899 [0,2,0,0,0,0|2,0,0]=4 900 B12R1.127 CN(C)Cc1cc(ccc1Br)O TS94633 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.127 CN(C)Cc1cc(ccc1O)F TS12685 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.127 Cc1ccc(c(c1)CC(C)C)C TS42510 [0,2,0,0,0,0|1,0,0]=3 903 B12R1.151 CC(C)(C)Sc1cccnc1N TS15038 [0,2,0,0,0,0|1,0,0]=3 904 B12R1.151 CC(C)(C)Sc1cnccc1N TS15037 [0,2,0,0,0,0|1,0,0]=3 905 B12R1.151 C[Si](C)(C)Cc1ccccc1Cl TS18748 [0,2,0,0,0,0|1,1,0]=4 906 B12R1.224 CC(C)Oc1cccc(c1F)F TS13132 [0,2,0,0,0,0|2,0,0]=4 907 B12R1.224 CC(C)Oc1cccc(c1O)Br TS25018 [0,2,0,0,0,0|2,0,0]=4 908 B12R1.1009 CC(C)Sc1c(cccc1Cl)N TS19296 [0,2,0,0,0,0|2,0,0]=4 909 B12R1.101 CC(C)Nc1cc(cc(c1)Cl)Cl TS38537 [0,2,0,0,0,0|2,0,0]=4 910 B12R1.438 CC(C)Oc1cccc(c1)CN TS42945 [0,2,0,0,0,0|2,0,0]=4 911 B12R1.438 CN(C)Cc1cccc(c1)OC TS42949 [0,2,0,0,0,0|2,0,0]=4 912 B10R2.6 c1ccc(cc1)C2CC2 TS32348 [1,0,0,1,0,0|1,0,0]=3 913 B10R2.6 c1ccc(cc1)C2CO2 TS04809 [1,0,0,1,0,0|2,0,0]=4 914 B10R2.6 c1ccc(cc1)[C@@H]2CO2 TS59486 [1,0,0,1,0,0|2,0,0]=4 915 B10R2.6 c1ccc(cc1)[C@H]2CO2 TS59491 [1,0,0,1,0,0|2,0,0]=4 916 B10R2.7 C1CC2=C(C1)CC=CC2 TS04827 [1,0,0,1,0,0|1,0,1]=4 917 B10R2.7 c1c2c(ncn1)CNC2 TS01201 [1,0,0,1,0,0|2,0,0]=4 918 B10R2.7 c1cc2c(nc1)CCC2 TS00545 [1,0,0,1,0,0|0,0,0]=2 919 B10R2.7 c1cc2c(nc1)CNC2 TS01200 [1,0,0,1,0,0|1,0,0]=3 920 B10R2.7 c1cc2c(nc1)CNC2 TS90710 [1,0,0,1,0,0|1,0,0]=3 921 B10R2.7 c1cc2c(nc1)NCC2 TS55646 [1,0,0,1,0,0|1,0,0]=3 922 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [1,0,0,1,0,0|1,0,0]=3 923 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [1,0,0,1,0,0|2,0,0]=4 924 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [1,0,0,1,0,0|2,0,0]=4 925 B10R2.7 c1ccc2c(c1)COC2 TS04810 [1,0,0,1,0,0|2,0,0]=4 926 B10R2.7 c1cnc2c(n1)CNC2 TS29457 [1,0,0,1,0,0|2,0,0]=4 927 B10R2.7 c1cncc2c1CNC2 TS00566 [1,0,0,1,0,0|1,0,0]=3 928 B10R2.7 c1cncc2c1CNC2 TS41735 [1,0,0,1,0,0|1,0,0]=3 929 B10R2.320 c1ccc2c(c1)CC2Br TS48022 [1,0,0,1,0,0|2,0,0]=4 930 B10R2.2 CN1Cc2cn[nH]c2C1 TS92444 [0,0,0,1,1,0|2,0,0]=4 931 B12R2.22 c1ccc(cc1)N2CC(C2)O TS92510 [0,0,0,1,0,1|2,0,0]=4 932 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N TS92833 [0,0,0,1,0,1|2,0,0]=4 933 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N TS87812 [0,0,0,1,0,1|2,0,0]=4 934 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N TS92597 [0,0,0,1,0,1|2,0,0]=4 935 B12R2.24 CC1CCc2ccccc2N1 TS59877 [0,0,0,1,0,1|2,0,0]=4 936 B12R2.24 CC1COc2ccccc2N1 TS40752 [0,0,0,1,0,1|2,0,0]=4 937 B12R2.24 CC1Cc2ccccc2CN1 TS40571 [0,0,0,1,0,1|1,0,0]=3 938 B12R2.24 c1ccc2c(c1)CC(CN2)N TS40678 [0,0,0,1,0,1|2,0,0]=4 939 B12R2.24 c1ccc2c(c1)CC(CO2)N TS40753 [0,0,0,1,0,1|2,0,0]=4 940 B12R2.24 c1ccc2c(c1)CC(CO2)N TS48810 [0,0,0,1,0,1|2,0,0]=4 941 B12R2.24 c1ccc2c(c1)CC(CS2)N TS12090 [0,0,0,1,0,1|2,0,0]=4 942 B12R2.24 c1ccc2c(c1)CCC(C2)N TS08739 [0,0,0,1,0,1|2,0,0]=4 943 B12R2.24 c1ccc2c(c1)CCC(C2)N TS46761 [0,0,0,1,0,1|2,0,0]=4 944 B12R2.24 c1ccc2c(c1)CCC(C2)O TS07471 [0,0,0,1,0,1|2,0,0]=4 945 B12R2.24 c1ccc2c(c1)CC[C@@H](C2)N TS07859 [0,0,0,1,0,1|2,0,0]=4 946 B12R2.2057 c1ccc(cc1)CNC2CC2 TS07374 [0,0,0,1,0,1|1,0,0]=3 947 B12R2.2057 c1ccc(cc1)NCC2CC2 TS48499 [0,0,0,1,0,1|1,0,0]=3 948 B12R2.2057 c1ccc(cc1)OCC2CO2 TS01628 [0,0,0,1,0,1|2,0,0]=4 949 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 TS40866 [0,0,0,1,0,1|2,0,0]=4 950 B12R2.2057 c1ccc(cc1)OC[C@H]2CO2 TS40857 [0,0,0,1,0,1|2,0,0]=4 951 B12R2.2057 c1cnccc1NCC2CC2 TS23240 [0,0,0,1,0,1|2,0,0]=4 952 B12R2.2403 CC1(CNc2c1cccc2)C TS86357 [0,0,0,1,0,1|1,0,0]=3 953 B12R2.2403 CC1(c2ccccc2CN1)C TS87925 [0,0,0,1,0,1|1,0,0]=3 954 B12R2.606 c1cc2c(cc1Br)CC(C2)N TS71463 [0,1,0,1,0,0|2,0,0]=4 955 B12R2.606 c1cc2c(cc1Br)CC(C2)O TS59904 [0,1,0,1,0,0|2,0,0]=4 956 B12R2.18 CC1Cc2ccccc2C1=O TS07227 [0,1,0,1,0,0|1,0,1]=4 957 B12R2.18 CC1Cc2ccccc2N1N TS15399 [0,1,0,1,0,0|2,0,0]=4 958 B12R2.18 CC1Cc2ccccc2N1N TS40679 [0,1,0,1,0,0|2,0,0]=4 959 B12R2.18 CC1c2ccccc2NC1C TS40570 [0,1,0,1,0,0|2,0,0]=4 960 B12R2.18 c1ccc2c(c1)CC(C2N)Cl TS38536 [0,1,0,1,0,0|2,0,0]=4 961 B12R2.18 c1ccc2c(c1)CC(C2N)O TS94593 [0,1,0,1,0,0|2,0,0]=4 962 B12R2.18 c1ccc2c(c1)CC(C2O)Br TS55072 [0,1,0,1,0,0|2,0,0]=4 963 B12R2.18 c1ccc2c(c1)CC(C2O)N TS48806 [0,1,0,1,0,0|2,0,0]=4 964 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2N)O TS07983 [0,1,0,1,0,0|2,0,0]=4 965 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2O)O TS09875 [0,1,0,1,0,0|2,0,0]=4 966 B12R2.18 c1ccc2c(c1)C[C@@H]([C@H]2N)O TS07569 [0,1,0,1,0,0|2,0,0]=4 967 B12R2.18 c1ccc2c(c1)C[C@@H]([C@H]2O)Cl TS44951 [0,1,0,1,0,0|2,0,0]=4 968 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2N)O TS40741 [0,1,0,1,0,0|2,0,0]=4 969 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2O)Br TS21447 [0,1,0,1,0,0|2,0,0]=4 970 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O TS07985 [0,1,0,1,0,0|2,0,0]=4 971 B12R2.2075 c1ccc(cc1)C(=O)C2CC2 TS07235 [0,1,0,1,0,0|1,0,1]=4 972 B12R2.2075 c1ccnc(c1)C(C2CC2)N TS48694 [0,1,0,1,0,0|2,0,0]=4 973 B12R2.27 c1ccc(cc1)[C@@H]2[C@H](O2)CO TS09858 [0,1,0,1,0,0|2,0,0]=4 974 B12R2.27 c1ccc(cc1)[C@H]2[C@@H](O2)CO TS40848 [0,1,0,1,0,0|2,0,0]=4 975 B12R2.32 CNC1Cc2ccccc2C1 TS15214 [0,1,0,1,0,0|1,0,0]=3 976 B12R2.32 c1ccc2c(c1)CC(N2)CO TS40762 [0,1,0,1,0,0|2,0,0]=4 977 B12R2.32 c1ccc2c(c1)CC(O2)CN TS15534 [0,1,0,1,0,0|2,0,0]=4 978 B12R2.32 c1ccc2c(c1)C[C@H](N2)CO TS40740 [0,1,0,1,0,0|2,0,0]=4 979 B12R2.2058 c1ccc(cc1)OC2CNC2 TS87035 [0,1,0,1,0,0|2,0,0]=4 980 B12R2.2058 c1ccc(cc1)SC2CCC2 TS42808 [0,1,0,1,0,0|2,0,0]=4 981 B12R2.95 CC1(Oc2ccccc2O1)C TS40852 [0,1,0,1,0,0|2,0,0]=4 982 B12R3.12 c1ccc2c(c1)CC3C2O3 TS09192 [0,0,0,2,0,0|2,0,0]=4 983 B8R1.8 CCCc1[nH]ccn1 TS02464 [1,0,0,0,1,0|1,0,0]=3 984 B8R1.8 CCCc1ccco1 TS31836 [1,0,0,0,1,0|1,0,0]=3 985 B8R1.8 CCCc1cccs1 TS36171 [1,0,0,0,1,0|1,0,0]=3 986 B8R1.8 CCCc1ccsc1 TS36172 [1,0,0,0,1,0|1,0,0]=3 987 B8R1.8 CCCn1ccnc1 TS04208 [1,0,0,0,1,0|1,0,0]=3 988 B8R1.8 CCCn1cncn1 TS31877 [1,0,0,0,1,0|2,0,0]=4 989 B8R1.8 CCNc1cccs1 TS36245 [1,0,0,0,1,0|2,0,0]=4 990 B8R1.8 CCOc1nccs1 TS05470 [1,0,0,0,1,0|2,0,0]=4 991 B8R1.8 CNCc1ccco1 TS04251 [1,0,0,0,1,0|2,0,0]=4 992 B8R1.8 CNCc1ccco1 TS07391 [1,0,0,0,1,0|2,0,0]=4 993 B8R1.8 CNCc1cccs1 TS01562 [1,0,0,0,1,0|2,0,0]=4 994 B8R1.8 CNCc1cccs1 TS11775 [1,0,0,0,1,0|2,0,0]=4 995 B8R1.8 CNCc1ccn[nH]1 TS39894 [1,0,0,0,1,0|2,0,0]=4 996 B8R1.8 CNCc1ccno1 TS04292 [1,0,0,0,1,0|2,0,0]=4 997 B8R1.8 CNCc1ccon1 TS04289 [1,0,0,0,1,0|2,0,0]=4 998 B8R1.8 CNCc1cscn1 TS36317 [1,0,0,0,1,0|2,0,0]=4 999 B8R1.8 CNCc1nccs1 TS36316 [1,0,0,0,1,0|2,0,0]=4 1000 B8R1.8 COCc1[nH]ccn1 TS88224 [1,0,0,0,1,0|2,0,0]=4 1001 B8R1.8 COCc1ccco1 TS31900 [1,0,0,0,1,0|2,0,0]=4 1002 B8R1.8 CSCc1ccco1 TS05367 [1,0,0,0,1,0|2,0,0]=4 1003 B8R1.8 c1c(cn[nH]1)CCCl TS12337 [1,0,0,0,1,0|2,0,0]=4 1004 B8R1.8 c1c(cn[nH]1)CCO TS59575 [1,0,0,0,1,0|2,0,0]=4 1005 B8R1.8 c1c(con1)CCO TS04371 [1,0,0,0,1,0|2,0,0]=4 1006 B8R1.8 c1c(nc[nH]1)CCO TS65017 [1,0,0,0,1,0|2,0,0]=4 1007 B8R1.8 c1c(ncs1)CCN TS36318 [1,0,0,0,1,0|2,0,0]=4 1008 B8R1.8 c1c[nH]nc1CCN TS31879 [1,0,0,0,1,0|2,0,0]=4 1009 B8R1.8 c1cc(oc1)CCO TS31915 [1,0,0,0,1,0|2,0,0]=4 1010 B8R1.8 c1cc(sc1)CCBr TS51245 [1,0,0,0,1,0|2,0,0]=4 1011 B8R1.8 c1cc(sc1)CCN TS46632 [1,0,0,0,1,0|2,0,0]=4 1012 B8R1.8 c1cc(sc1)CCN TS65662 [1,0,0,0,1,0|2,0,0]=4 1013 B8R1.8 c1cc(sc1)CCN TS93665 [1,0,0,0,1,0|2,0,0]=4 1014 B8R1.8 c1cc(sc1)CCO TS65661 [1,0,0,0,1,0|2,0,0]=4 1015 B8R1.8 c1ccn(c1)CCBr TS08145 [1,0,0,0,1,0|2,0,0]=4 1016 B8R1.8 c1ccn(c1)CCCl TS05507 [1,0,0,0,1,0|2,0,0]=4 1017 B8R1.8 c1ccn(c1)CCN TS08216 [1,0,0,0,1,0|2,0,0]=4 1018 B8R1.8 c1ccn(c1)CCO TS31872 [1,0,0,0,1,0|2,0,0]=4 1019 B8R1.8 c1cn(cn1)CCN TS85402 [1,0,0,0,1,0|2,0,0]=4 1020 B8R1.8 c1cn(cn1)CCO TS04290 [1,0,0,0,1,0|2,0,0]=4 1021 B8R1.8 c1cnc([nH]1)CCO TS04288 [1,0,0,0,1,0|2,0,0]=4 1022 B8R1.8 c1cnn(c1)CCBr TS01977 [1,0,0,0,1,0|2,0,0]=4 1023 B8R1.8 c1cnn(c1)CCCl TS36568 [1,0,0,0,1,0|2,0,0]=4 1024 B8R1.8 c1cnn(c1)CCO TS04285 [1,0,0,0,1,0|2,0,0]=4 1025 B8R1.8 c1coc(n1)CCN TS00111 [1,0,0,0,1,0|2,0,0]=4 1026 B8R1.8 c1csc(n1)CCN TS11967 [1,0,0,0,1,0|2,0,0]=4 1027 B8R1.8 c1cscc1CCN TS36246 [1,0,0,0,1,0|2,0,0]=4 1028 B8R1.8 c1cscc1CCO TS01729 [1,0,0,0,1,0|2,0,0]=4 1029 B8R1.8 c1cscc1CCO TS37040 [1,0,0,0,1,0|2,0,0]=4 1030 B8R1.7 CC(C)C1=CC=CC1 TS04141 [0,0,0,0,2,0|0,0,1]=3 1031 B8R1.7 CC(C)C1C=CC=C1 TS31786 [0,0,0,0,2,0|0,0,1]=3 1032 B8R1.7 CC(C)c1[nH]ccn1 TS04207 [0,0,0,0,2,0|1,0,0]=3 1033 B8R1.7 CC(C)c1cc[nH]n1 TS04205 [0,0,0,0,2,0|1,0,0]=3 1034 B8R1.7 CC(C)n1cccn1 TS04211 [0,0,0,0,2,0|1,0,0]=3 1035 B8R1.7 CC(C)n1ccnc1 TS04209 [0,0,0,0,2,0|1,0,0]=3 1036 B8R1.7 CC(c1ccco1)N TS04253 [0,0,0,0,2,0|2,0,0]=4 1037 B8R1.7 CC(c1ccco1)O TS31898 [0,0,0,0,2,0|2,0,0]=4 1038 B8R1.7 CC(c1ccoc1)N TS31874 [0,0,0,0,2,0|2,0,0]=4 1039 B8R1.7 CC(c1cscn1)N TS77127 [0,0,0,0,2,0|2,0,0]=4 1040 B8R1.7 CN(C)c1cccs1 TS36249 [0,0,0,0,2,0|2,0,0]=4 1041 B8R1.7 C[C@@H](c1cccs1)O TS05368 [0,0,0,0,2,0|2,0,0]=4 1042 B8R1.7 C[C@H](c1ccco1)O TS31904 [0,0,0,0,2,0|2,0,0]=4 1043 B8R1.7 C[C@H](c1cccs1)O TS08060 [0,0,0,0,2,0|2,0,0]=4 1044 B12R1.252 CC(CCCc1ccccc1)F TS12271 [0,0,0,0,0,2|2,0,0]=4 1045 B12R1.252 C[C@@H](COCc1ccccc1)O TS43107 [0,0,0,0,0,2|2,0,0]=4 1046 B12R1.252 C[C@H](CCCc1cccnc1)N TS11933 [0,0,0,0,0,2|1,0,0]=3 1047 B12R1.252 C[C@H](COCc1ccccc1)O TS43112 [0,0,0,0,0,2|2,0,0]=4