0 B12R1.107 CC(=CC(=O)O)c1ccccc1 TS42432 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.107 CC(=NN(C)C)c1ccccc1 TS11603 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.107 CC(=O)CC(=O)c1ccccc1 TS42435 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.107 CC(=O)CC(=O)c1ccccn1 TS42571 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.107 CC(C)CC(c1ccccc1)N TS42635 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.107 CC(C)N=C(C)c1ccccc1 TS42351 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.107 CC(C)OC(=O)c1ccccc1 TS11876 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.107 CC(CC(=O)O)c1ccccc1 TS42755 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.107 CC(c1ccccc1)NC(=O)C TS11732 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.107 CC(c1ccccc1)OC(=O)C TS39949 [0,0,0,0,0,0|0,0,0]=0 10 B12R1.107 CN(C)C[C@H](c1ccccc1)O TS42950 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 TS42738 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.107 C[C@@H](c1ccccc1)NC(=O)C TS11712 [0,0,0,0,0,0|1,0,0]=1 13 B12R1.107 C[C@@H](c1ccccc1)NC(C)C TS37829 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.107 C[C@H](CC(=O)O)c1ccccc1 TS42736 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.107 C[C@H](c1ccccc1)NC(=O)C TS11718 [0,0,0,0,0,0|1,0,0]=1 16 B12R1.107 C[C@H](c1ccccc1)NC(C)C TS37827 [0,0,0,0,0,0|2,0,1]=3 17 B12R1.107 c1cc(cnc1)C(CC(=O)O)N TS43076 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.107 c1cc(cnc1)[C@@H](CC(=O)O)N TS12211 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.107 c1cc(cnc1)[C@H](CC(=O)O)N TS12220 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.107 c1ccc(cc1)C(=O)NC(=O)N TS11834 [0,0,0,0,0,0|3,0,1]=4 21 B12R1.107 c1ccc(cc1)C(CC(=O)O)Br TS52783 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.107 c1ccc(cc1)C(CC(=O)O)N TS65071 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.107 c1ccc(cc1)C(CC(=O)O)O TS12188 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.107 c1ccc(cc1)C(C[N+](=O)[O-])O TS43216 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O TS43028 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N TS46535 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O TS43030 [0,0,0,0,0,0|3,0,0]=3 28 B12R1.107 c1ccnc(c1)C(CC(=O)O)N TS43062 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.107 c1cnccc1C(CC(=O)O)N TS43077 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.16 C=CCC(c1ccccc1)O TS07476 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.16 C=COC(=O)c1ccccc1 TS07417 [1,0,0,0,0,0|1,0,2]=4 32 B11R1.16 CC(CC=O)c1ccccc1 TS40655 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.16 CC(CCO)c1ccccc1 TS40913 [1,0,0,0,0,0|1,0,2]=4 34 B11R1.16 CC(CNC)c1ccccc1 TS15544 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.16 CC(c1ccccc1)N=C=S TS11739 [1,0,0,0,0,0|1,1,1]=4 36 B11R1.16 CC(c1ccccc1)N=C=S TS42624 [1,0,0,0,0,0|1,1,1]=4 37 B11R1.16 CC(c1ccccc1)NC=O TS40754 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.16 CC(c1cccnc1)NC=O TS09886 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.16 CC(c1ccncc1)NC=O TS40868 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.16 CC=CC(=O)c1ccccc1 TS07230 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.16 CC=CC(c1ccccc1)O TS07464 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.16 CCC=C(C)c1ccccc1 TS07266 [1,0,0,0,0,0|1,0,2]=4 43 B11R1.16 CCCC(C)c1ccccc1 TS40687 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.16 CCCC(c1ccccc1)N TS08991 [1,0,0,0,0,0|2,0,1]=4 45 B11R1.16 CCCC(c1ccccc1)O TS40897 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.16 CCC[C@@H](c1ccccc1)N TS07598 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.16 CCC[C@@H](c1ccccc1)O TS40898 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.16 CCC[C@H](c1ccccc1)N TS07603 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.16 CCC[C@H](c1ccccc1)O TS40914 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.16 CCOC(=N)c1ccccc1 TS39808 [1,0,0,0,0,0|1,0,2]=4 51 B11R1.16 CCOC(=O)c1ccccc1 TS40849 [1,0,0,0,0,0|1,0,2]=4 52 B11R1.16 CN(CC=C)c1ccccc1 TS40564 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.16 CNCC(c1ccccc1)O TS41049 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.16 COC[C@@H](c1ccccc1)N TS41043 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.16 COC[C@H](c1ccccc1)N TS10083 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.16 C[C@@H](c1ccccc1)N=C=O TS40526 [1,0,0,0,0,0|1,0,1]=3 57 B11R1.16 C[C@H](c1ccccc1)N=C=O TS40534 [1,0,0,0,0,0|1,0,1]=3 58 B11R1.91 CC(=C)COc1ccccc1 TS07455 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.91 CC(=C)CSc1ccccc1 TS42809 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [1,0,0,0,0,0|1,0,0]=2 61 B11R1.91 CC(=NNc1ccccc1)C TS40667 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.91 CC(=O)C#Cc1ccccc1 TS39336 [1,0,0,0,0,0|1,0,1]=3 63 B11R1.91 CC(=O)C=Cc1ccccc1 TS07221 [1,0,0,0,0,0|1,0,1]=3 64 B11R1.91 CC(=O)C=Cc1ccccc1 TS93157 [1,0,0,0,0,0|1,0,1]=3 65 B11R1.91 CC(=O)CCc1ccccc1 TS40645 [1,0,0,0,0,0|1,0,0]=2 66 B11R1.91 CC(=O)COc1ccccc1 TS40853 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.91 CC(=O)CSc1ccccc1 TS12279 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.91 CC(=O)NCc1ccccc1 TS07571 [1,0,0,0,0,0|1,0,0]=2 69 B11R1.91 CC(=O)NCc1cccnc1 TS40869 [1,0,0,0,0,0|2,0,0]=3 70 B11R1.91 CC(=O)NNc1ccccc1 TS09877 [1,0,0,0,0,0|2,0,0]=3 71 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [1,0,0,0,0,0|0,0,0]=1 72 B11R1.91 CC(=O)OCc1ccccn1 TS41002 [1,0,0,0,0,0|1,0,0]=2 73 B11R1.91 CC(=O)OCc1ccncc1 TS40990 [1,0,0,0,0,0|1,0,0]=2 74 B11R1.91 CC(=O)O[Hg]c1ccccc1 TS64055 [1,0,0,0,0,0|1,0,0]=2 75 B11R1.91 CC(=O)O[Hg]c1ccccn1 TS78341 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.91 CC(=O)SSc1ccccc1 TS74797 [1,0,0,0,0,0|1,1,0]=3 77 B11R1.91 CC(C)CCc1ccccc1 TS40689 [1,0,0,0,0,0|2,0,1]=4 78 B11R1.91 CC(C)NCc1ccccc1 TS33065 [1,0,0,0,0,0|2,0,1]=4 79 B11R1.91 CC(CCc1ccccc1)N TS40782 [1,0,0,0,0,0|2,0,1]=4 80 B11R1.91 CC(CCc1ccccc1)O TS09764 [1,0,0,0,0,0|1,0,2]=4 81 B11R1.91 CN(C)CCc1ccccc1 TS01931 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.91 C[C@@H](CCc1ccccc1)N TS40777 [1,0,0,0,0,0|2,0,1]=4 83 B11R1.91 C[C@H](CCc1ccccc1)N TS22961 [1,0,0,0,0,0|2,0,1]=4 84 B11R1.91 C[SiH](C)CCc1ccccc1 TS42818 [1,0,0,0,0,0|2,1,0]=4 85 B11R1.91 c1cc(cnc1)CCC(=O)O TS09416 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.91 c1ccc(cc1)C#CC(=O)O TS07173 [1,0,0,0,0,0|2,0,1]=4 87 B11R1.91 c1ccc(cc1)C=CC(=O)Cl TS12314 [1,0,0,0,0,0|2,0,1]=4 88 B11R1.91 c1ccc(cc1)C=CC(=O)N TS55818 [1,0,0,0,0,0|2,0,1]=4 89 B11R1.91 c1ccc(cc1)C=CC(=O)O TS07414 [1,0,0,0,0,0|2,0,1]=4 90 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS45091 [1,0,0,0,0,0|2,0,1]=4 91 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS48924 [1,0,0,0,0,0|2,0,1]=4 92 B11R1.91 c1ccc(cc1)CCC(=O)Cl TS02876 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.91 c1ccc(cc1)CCC(=O)N TS40758 [1,0,0,0,0,0|2,0,0]=3 94 B11R1.91 c1ccc(cc1)CCC(=O)O TS33063 [1,0,0,0,0,0|2,0,0]=3 95 B11R1.91 c1ccc(cc1)CCN(=O)=O TS10013 [1,0,0,0,0,0|3,0,0]=4 96 B11R1.91 c1ccc(cc1)CNC(=N)N TS80918 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.91 c1ccc(cc1)CNC(=O)N TS40871 [1,0,0,0,0,0|2,0,0]=3 98 B11R1.91 c1ccc(cc1)CNC(=S)N TS12281 [1,0,0,0,0,0|2,1,0]=4 99 B11R1.91 c1ccc(cc1)COC(=O)Cl TS01383 [1,0,0,0,0,0|1,0,0]=2 100 B11R1.91 c1ccc(cc1)COC(=O)N TS01381 [1,0,0,0,0,0|1,0,0]=2 101 B11R1.91 c1ccc(cc1)COP(Cl)Cl TS43583 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.91 c1ccc(cc1)CSC(=N)N TS19496 [1,0,0,0,0,0|2,1,0]=4 103 B11R1.91 c1ccc(cc1)NCC(=O)O TS10023 [1,0,0,0,0,0|3,0,0]=4 104 B11R1.91 c1ccc(cc1)NCC(=O)[O-] TS50941 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.91 c1ccc(cc1)NNC(=O)N TS41021 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.91 c1ccc(cc1)OCC(=O)Cl TS12910 [1,0,0,0,0,0|3,0,0]=4 107 B11R1.91 c1ccc(cc1)OCC(=O)N TS40989 [1,0,0,0,0,0|3,0,0]=4 108 B11R1.91 c1ccc(cc1)OCC(=O)O TS10139 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.91 c1ccc(cc1)OCC(=O)O TS32941 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS13444 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS51409 [1,0,0,0,0,0|3,0,0]=4 112 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS63445 [1,0,0,0,0,0|3,0,0]=4 113 B11R1.91 c1ccnc(c1)CCC(=O)O TS40994 [1,0,0,0,0,0|3,0,0]=4 114 B13R1.11 COC(=O)CC(=O)c1ccccc1 TS39901 [0,1,0,0,0,0|2,0,1]=4 115 B13R1.11 COC(=O)CC(c1ccccc1)N TS21935 [0,1,0,0,0,0|2,0,0]=3 116 B13R1.11 COC(=O)C[C@@H](c1ccccc1)O TS47893 [0,1,0,0,0,0|2,0,0]=3 117 B13R1.11 COC(=O)C[C@@H](c1cccnc1)N TS49184 [0,1,0,0,0,0|3,0,0]=4 118 B13R1.11 COC(=O)C[C@H](c1ccccc1)O TS14616 [0,1,0,0,0,0|2,0,0]=3 119 B13R1.11 C[C@H](CC(=O)OC)c1ccccc1 TS47550 [0,1,0,0,0,0|1,0,0]=2 120 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Br TS01982 [0,1,0,0,0,0|2,0,1]=4 121 B13R1.132 C[C@@H](CC(=O)O)c1ccc(cc1)F TS14958 [0,1,0,0,0,0|2,0,0]=3 122 B13R1.132 C[C@H](CC(=O)O)c1ccc(cc1)F TS14956 [0,1,0,0,0,0|2,0,0]=3 123 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)C TS16658 [0,1,0,0,0,0|2,0,1]=4 124 B13R1.132 Cc1ccc(cc1)C(CC(=O)O)N TS47739 [0,1,0,0,0,0|3,0,0]=4 125 B13R1.132 Cc1ccc(cc1)[C@@H](CC(=O)O)N TS14416 [0,1,0,0,0,0|3,0,0]=4 126 B13R1.132 Cc1ccc(cc1)[C@H](CC(=O)O)N TS47743 [0,1,0,0,0,0|3,0,0]=4 127 B13R1.132 c1cc(ccc1C(CC(=O)O)N)Br TS61961 [0,1,0,0,0,0|3,0,0]=4 128 B13R1.132 c1cc(ccc1C(CC(=O)O)N)Cl TS37789 [0,1,0,0,0,0|3,0,0]=4 129 B13R1.132 c1cc(ccc1C(CC(=O)O)N)F TS46441 [0,1,0,0,0,0|3,0,0]=4 130 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Br TS27097 [0,1,0,0,0,0|3,0,0]=4 131 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Cl TS01974 [0,1,0,0,0,0|3,0,0]=4 132 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)F TS39944 [0,1,0,0,0,0|3,0,0]=4 133 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)Br TS27096 [0,1,0,0,0,0|3,0,0]=4 134 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)Cl TS37795 [0,1,0,0,0,0|3,0,0]=4 135 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)F TS46659 [0,1,0,0,0,0|3,0,0]=4 136 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)O TS14755 [0,1,0,0,0,0|3,0,0]=4 137 B13R1.147 Cc1cccc(c1)C(CC(=O)O)N TS14427 [0,1,0,0,0,0|3,0,0]=4 138 B13R1.147 Cc1cccc(c1)[C@@H](CC(=O)O)N TS47721 [0,1,0,0,0,0|3,0,0]=4 139 B13R1.147 Cc1cccc(c1)[C@H](CC(=O)O)N TS14417 [0,1,0,0,0,0|3,0,0]=4 140 B13R1.147 c1cc(cc(c1)Br)[C@@H](CC(=O)O)N TS27095 [0,1,0,0,0,0|3,0,0]=4 141 B13R1.147 c1cc(cc(c1)Cl)C(CC(=O)O)N TS37792 [0,1,0,0,0,0|3,0,0]=4 142 B13R1.147 c1cc(cc(c1)Cl)[C@@H](CC(=O)O)N TS37810 [0,1,0,0,0,0|3,0,0]=4 143 B13R1.147 c1cc(cc(c1)Cl)[C@H](CC(=O)O)N TS37809 [0,1,0,0,0,0|3,0,0]=4 144 B13R1.147 c1cc(cc(c1)F)C(CC(=O)O)N TS48418 [0,1,0,0,0,0|3,0,0]=4 145 B13R1.147 c1cc(cc(c1)F)[C@@H](CC(=O)O)N TS15117 [0,1,0,0,0,0|3,0,0]=4 146 B13R1.147 c1cc(cc(c1)F)[C@H](CC(=O)O)N TS48410 [0,1,0,0,0,0|3,0,0]=4 147 B13R1.147 c1cc(cc(c1)O)C(CC(=O)O)N TS48071 [0,1,0,0,0,0|3,0,0]=4 148 B13R1.147 c1cc(cc(c1)O)[C@@H](CC(=O)O)N TS48090 [0,1,0,0,0,0|3,0,0]=4 149 B13R1.147 c1cc(cc(c1)O)[C@H](CC(=O)O)N TS14753 [0,1,0,0,0,0|3,0,0]=4 150 B13R1.152 CC(=O)C(C(c1ccccc1)Br)Br TS60548 [0,1,0,0,0,0|2,0,0]=3 151 B13R1.152 CC(c1ccccc1)C(C(=O)O)N TS14395 [0,1,0,0,0,0|2,0,0]=3 152 B13R1.152 CC(c1ccccc1)C(C(=O)O)N TS59683 [0,1,0,0,0,0|2,0,0]=3 153 B13R1.152 c1ccc(cc1)C(C(C(=O)O)Br)Br TS60692 [0,1,0,0,0,0|3,0,0]=4 154 B13R1.152 c1ccc(cc1)C(C(C(=O)O)N)O TS48064 [0,1,0,0,0,0|3,0,0]=4 155 B13R1.152 c1ccc(cc1)[C@@H]([C@@H](C(=O)O)N)O TS48081 [0,1,0,0,0,0|3,0,0]=4 156 B13R1.152 c1ccc(cc1)[C@@H]([C@H](C(=O)O)N)O TS48091 [0,1,0,0,0,0|3,0,0]=4 157 B13R1.152 c1ccc(cc1)[C@@H]([C@H](C(=O)O)O)N TS14756 [0,1,0,0,0,0|3,0,0]=4 158 B13R1.152 c1ccc(cc1)[C@@H]([C@H](C(=O)O)O)N TS59848 [0,1,0,0,0,0|3,0,0]=4 159 B13R1.152 c1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O TS14769 [0,1,0,0,0,0|3,0,0]=4 160 B13R1.201 CC(=O)CC(=O)c1ccccc1O TS14172 [0,1,0,0,0,0|2,0,1]=4 161 B13R1.201 CC(=O)NC(=O)c1ccccc1O TS47701 [0,1,0,0,0,0|2,0,1]=4 162 B13R1.201 Cc1ccccc1C(CC(=O)O)N TS14408 [0,1,0,0,0,0|3,0,0]=4 163 B13R1.201 Cc1ccccc1[C@@H](CC(=O)O)N TS14418 [0,1,0,0,0,0|3,0,0]=4 164 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)Br TS27102 [0,1,0,0,0,0|3,0,0]=4 165 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)Cl TS37798 [0,1,0,0,0,0|3,0,0]=4 166 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)F TS15120 [0,1,0,0,0,0|3,0,0]=4 167 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)O TS48069 [0,1,0,0,0,0|3,0,0]=4 168 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)Br TS27100 [0,1,0,0,0,0|3,0,0]=4 169 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)Cl TS37796 [0,1,0,0,0,0|3,0,0]=4 170 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)F TS48419 [0,1,0,0,0,0|3,0,0]=4 171 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)O TS48070 [0,1,0,0,0,0|3,0,0]=4 172 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)Br TS27106 [0,1,0,0,0,0|3,0,0]=4 173 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)Cl TS37802 [0,1,0,0,0,0|3,0,0]=4 174 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)F TS48422 [0,1,0,0,0,0|3,0,0]=4 175 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)O TS48074 [0,1,0,0,0,0|3,0,0]=4 176 B13R1.347 CC(=O)CC(C)(C)c1ccccc1 TS46158 [0,1,0,0,0,0|1,0,0]=2 177 B13R1.347 CC(=O)CS(=O)(=O)c1ccccc1 TS54033 [0,1,0,0,0,0|3,0,0]=4 178 B13R1.352 CS(=O)(=O)OI(c1ccccc1)O TS61260 [0,1,0,0,0,0|3,0,0]=4 179 B13R1.713 CC(=O)N[C@@H](CO)c1ccccc1 TS47740 [0,1,0,0,0,0|1,0,0]=2 180 B13R1.713 CC(=O)O[C@@H](C#N)c1ccccc1 TS13656 [0,1,0,0,0,0|0,0,1]=2 181 B13R1.713 CC(C)N[C@@H](CO)c1ccccc1 TS14454 [0,1,0,0,0,0|2,0,1]=4 182 B13R1.713 c1ccc(cc1)C(CC(=O)O)NO TS48067 [0,1,0,0,0,0|3,0,0]=4 183 B13R2.10 CC1COC(O1)c2ccccc2 TS42733 [0,0,0,1,0,0|2,0,1]=4 184 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 TS09765 [0,0,0,1,0,0|2,0,0]=3 185 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 TS42185 [0,0,0,1,0,0|1,0,0]=2 186 B13R2.10 c1ccc(cc1)C2CCC(=O)O2 TS42441 [0,0,0,1,0,0|0,0,0]=1 187 B13R2.10 c1ccc(cc1)C2CN=C(O2)N TS11560 [0,0,0,1,0,0|2,0,0]=3 188 B13R2.10 c1ccc(cc1)C2CNC(=O)O2 TS11695 [0,0,0,1,0,0|1,0,0]=2 189 B13R2.10 c1ccc(cc1)C2COC(=O)N2 TS42555 [0,0,0,1,0,0|2,0,0]=3 190 B13R2.10 c1ccc(cc1)C2N=CC(=O)O2 TS42284 [0,0,0,1,0,0|1,0,1]=3 191 B13R2.10 c1ccc(cc1)N2CCC(=N2)N TS42328 [0,0,0,1,0,0|3,0,0]=4 192 B13R2.10 c1ccc(cc1)N2CCC(=O)N2 TS11562 [0,0,0,1,0,0|2,0,0]=3 193 B13R2.10 c1ccc(cc1)[C@@H]2COC(=O)N2 TS00304 [0,0,0,1,0,0|2,0,0]=3 194 B13R2.10 c1ccc(cc1)[C@@H]2COC(=S)N2 TS47770 [0,0,0,1,0,0|2,0,1]=4 195 B13R2.10 c1ccc(cc1)[C@H]2COC(=O)N2 TS32849 [0,0,0,1,0,0|2,0,0]=3 196 B13R2.10 c1ccc(cc1)[C@H]2COC(=S)N2 TS60184 [0,0,0,1,0,0|2,0,1]=4 197 B13R2.328 Cc1cc(=O)oc2c1cccc2 TS42135 [0,0,0,1,0,0|2,0,1]=4 198 B13R2.328 Cc1cc(c2ccccc2c1)C TS10737 [0,0,0,1,0,0|2,0,1]=4 199 B13R2.328 Cc1cc(nc2c1cccc2)C TS10883 [0,0,0,1,0,0|2,0,1]=4 200 B13R2.328 Cc1cc2ccccc2c(=O)o1 TS42131 [0,0,0,1,0,0|2,0,1]=4 201 B13R2.328 Cc1nc2ccccc2c(=O)o1 TS00093 [0,0,0,1,0,0|2,0,1]=4 202 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O TS11500 [0,0,0,1,0,0|1,0,1]=3 203 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 TS42535 [0,0,0,1,0,0|2,0,1]=4 204 B13R2.423 c1ccc(cc1)[C@@H]2C[C@H]2C(=O)Cl TS48004 [0,0,0,1,0,0|2,0,0]=3 205 B13R2.423 c1ccc(cc1)[C@@H]2C[C@H]2C(=O)O TS85468 [0,0,0,1,0,0|2,0,0]=3 206 B13R2.12159 c1ccc2c(c1)C(OS2(=O)=O)Cl TS19872 [0,0,0,1,0,0|3,0,0]=4 207 B11R1.36 C=C(c1ccccc1)C(=O)O TS59983 [0,0,0,0,1,0|1,0,2]=4 208 B11R1.36 CC(=C)C(c1ccccc1)O TS07470 [0,0,0,0,1,0|2,0,0]=3 209 B11R1.36 CC(=O)C(=O)c1ccccc1 TS00506 [0,0,0,0,1,0|1,0,1]=3 210 B11R1.36 CC(=O)C(c1ccccc1)Br TS60203 [0,0,0,0,1,0|1,0,0]=2 211 B11R1.36 CC(=O)C(c1ccccc1)N TS46844 [0,0,0,0,1,0|1,0,0]=2 212 B11R1.36 CC(C)C(C)c1ccccc1 TS40688 [0,0,0,0,1,0|1,0,1]=3 213 B11R1.36 CC(C)C(c1ccccc1)N TS40783 [0,0,0,0,1,0|2,0,1]=4 214 B11R1.36 CC(C)C(c1ccccc1)O TS40912 [0,0,0,0,1,0|2,0,1]=4 215 B11R1.36 CC(C)[C@@H](c1ccccc1)O TS09919 [0,0,0,0,1,0|2,0,1]=4 216 B11R1.36 CC(C)[C@H](c1ccccc1)O TS09912 [0,0,0,0,1,0|2,0,1]=4 217 B11R1.36 CC(c1ccccc1)C(=O)O TS65642 [0,0,0,0,1,0|1,0,0]=2 218 B11R1.36 CC(c1ccccc1)N(C)C TS07606 [0,0,0,0,1,0|2,0,0]=3 219 B11R1.36 CN(c1ccccc1)C(=O)Cl TS12717 [0,0,0,0,1,0|2,0,0]=3 220 B11R1.36 CN(c1ccccc1)C(=S)Cl TS15542 [0,0,0,0,1,0|2,1,0]=4 221 B11R1.36 CN(c1ccccc1)C(=S)N TS12282 [0,0,0,0,1,0|2,1,0]=4 222 B11R1.36 C[C@@H](c1ccccc1)C(=O)O TS22970 [0,0,0,0,1,0|1,0,0]=2 223 B11R1.36 C[C@@H](c1ccccc1)N(C)C TS07604 [0,0,0,0,1,0|2,0,0]=3 224 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS10078 [0,0,0,0,1,0|2,0,1]=4 225 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS50636 [0,0,0,0,1,0|2,0,1]=4 226 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS50640 [0,0,0,0,1,0|2,0,1]=4 227 B11R1.36 C[C@H](c1ccccc1)C(=O)O TS22963 [0,0,0,0,1,0|1,0,0]=2 228 B11R1.36 C[C@H](c1ccccc1)N(C)C TS40779 [0,0,0,0,1,0|2,0,0]=3 229 B11R1.36 c1cc(cnc1)C(C(=O)O)N TS10156 [0,0,0,0,1,0|3,0,0]=4 230 B11R1.36 c1ccc(cc1)C(=O)C(=O)O TS07652 [0,0,0,0,1,0|2,0,1]=4 231 B11R1.36 c1ccc(cc1)C(C(=O)Cl)Cl TS50847 [0,0,0,0,1,0|2,0,0]=3 232 B11R1.36 c1ccc(cc1)C(C(=O)N)N TS32776 [0,0,0,0,1,0|2,0,0]=3 233 B11R1.36 c1ccc(cc1)C(C(=O)N)O TS10014 [0,0,0,0,1,0|2,0,0]=3 234 B11R1.36 c1ccc(cc1)C(C(=O)O)Br TS40041 [0,0,0,0,1,0|2,0,0]=3 235 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl TS12921 [0,0,0,0,1,0|2,0,0]=3 236 B11R1.36 c1ccc(cc1)C(C(=O)O)F TS41345 [0,0,0,0,1,0|2,0,0]=3 237 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10137 [0,0,0,0,1,0|2,0,0]=3 238 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10144 [0,0,0,0,1,0|2,0,0]=3 239 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS35517 [0,0,0,0,1,0|2,0,0]=3 240 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)Br TS44638 [0,0,0,0,1,0|2,0,0]=3 241 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N TS01533 [0,0,0,0,1,0|2,0,0]=3 242 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O TS46637 [0,0,0,0,1,0|2,0,0]=3 243 B11R1.36 c1ccc(cc1)[C@H](C(=O)Cl)N TS20096 [0,0,0,0,1,0|2,0,0]=3 244 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)N TS01409 [0,0,0,0,1,0|2,0,0]=3 245 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N TS33222 [0,0,0,0,1,0|2,0,0]=3 246 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O TS93945 [0,0,0,0,1,0|2,0,0]=3 247 B11R1.36 c1ccnc(c1)C(C(=O)O)N TS41120 [0,0,0,0,1,0|3,0,0]=4 248 B11R1.36 c1cnccc1C(C(=O)O)N TS41126 [0,0,0,0,1,0|3,0,0]=4 249 B13R1.45 CC(=O)CCC(=O)c1ccccc1 TS13844 [0,0,0,0,0,1|2,0,1]=4 250 B13R1.45 CC(=O)OCC(=O)c1ccccc1 TS47341 [0,0,0,0,0,1|1,0,1]=3 251 B13R1.45 CC(=O)OCC(=O)c1ccccc1 TS47511 [0,0,0,0,0,1|1,0,1]=3 252 B13R1.348 CC(=CC(=O)C)Nc1ccccc1 TS09767 [0,0,0,0,0,1|1,0,1]=3 253 B13R1.348 CC(=Cc1ccccc1)CC(=O)N TS45978 [0,0,0,0,0,1|2,0,1]=4 254 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 TS13848 [0,0,0,0,0,1|2,0,1]=4 255 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 TS14035 [0,0,0,0,0,1|2,0,1]=4 256 B13R1.348 CC(Cc1ccccc1)OC(=O)C TS47556 [0,0,0,0,0,1|0,0,0]=1 257 B13R1.348 c1ccc(cc1)C[C@@H](CC(=O)O)N TS21944 [0,0,0,0,0,1|3,0,0]=4 258 B13R1.348 c1ccc(cc1)C[C@H](CC(=O)O)N TS08080 [0,0,0,0,0,1|3,0,0]=4 259 B10R1.15 C=CC(c1ccccc1)Cl TS41223 [2,0,0,0,0,0|1,0,1]=4 260 B10R1.15 C=CC(c1ccccc1)O TS36829 [2,0,0,0,0,0|1,0,1]=4 261 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [2,0,0,0,0,0|1,0,1]=4 262 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [2,0,0,0,0,0|1,0,1]=4 263 B10R1.15 CC(CBr)c1ccccc1 TS54166 [2,0,0,0,0,0|1,0,1]=4 264 B10R1.15 CC(CN)c1ccccc1 TS36949 [2,0,0,0,0,0|1,0,1]=4 265 B10R1.15 CC(CO)c1ccccc1 TS06093 [2,0,0,0,0,0|0,0,2]=4 266 B10R1.15 CC(c1ccccc1)[N+]#[C-] TS05667 [2,0,0,0,0,0|1,0,1]=4 267 B10R1.15 CC=C(C)c1ccccc1 TS36697 [2,0,0,0,0,0|0,0,1]=3 268 B10R1.15 CCC(C)c1ccccc1 TS36864 [2,0,0,0,0,0|0,0,1]=3 269 B10R1.15 CCC(c1ccccc1)N TS36947 [2,0,0,0,0,0|1,0,1]=4 270 B10R1.15 CCC(c1ccccc1)O TS37007 [2,0,0,0,0,0|1,0,1]=4 271 B10R1.15 CCN(C)c1ccccc1 TS36948 [2,0,0,0,0,0|1,0,1]=4 272 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [2,0,0,0,0,0|1,0,1]=4 273 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [2,0,0,0,0,0|1,0,1]=4 274 B10R1.15 CN(C=O)c1ccccc1 TS36925 [2,0,0,0,0,0|1,0,0]=3 275 B10R1.15 CN(C=O)c1ccccn1 TS06069 [2,0,0,0,0,0|2,0,0]=4 276 B10R1.15 CN(c1ccccc1)N=O TS06063 [2,0,0,0,0,0|2,0,0]=4 277 B10R1.15 COC(=N)c1ccccc1 TS45386 [2,0,0,0,0,0|1,0,1]=4 278 B10R1.15 COC(=O)c1ccccc1 TS00163 [2,0,0,0,0,0|1,0,1]=4 279 B10R1.15 COS(=O)c1ccccc1 TS10693 [2,0,0,0,0,0|2,0,0]=4 280 B10R1.15 C[C@@H](CN)c1ccccc1 TS08913 [2,0,0,0,0,0|1,0,1]=4 281 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [2,0,0,0,0,0|0,0,2]=4 282 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [2,0,0,0,0,0|1,0,0]=3 283 B10R1.15 C[C@@H](c1ccccc1)NO TS37112 [2,0,0,0,0,0|1,0,1]=4 284 B10R1.15 C[C@H](CN)c1ccccc1 TS08921 [2,0,0,0,0,0|1,0,1]=4 285 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [2,0,0,0,0,0|0,0,2]=4 286 B10R1.15 C[C@H](C[NH-])c1ccccc1 TS40751 [2,0,0,0,0,0|1,0,1]=4 287 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [2,0,0,0,0,0|1,0,0]=3 288 B10R1.15 C[C@H](c1ccccc1)NO TS06188 [2,0,0,0,0,0|1,0,1]=4 289 B10R1.15 C[C@H](c1ccccc1)[N+]#[C-] TS05668 [2,0,0,0,0,0|1,0,1]=4 290 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [2,0,0,0,0,0|1,0,1]=4 291 B10R1.17 C=CCCc1ccccc1 TS36707 [2,0,0,0,0,0|1,0,1]=4 292 B10R1.17 CC=CCc1ccccc1 TS36709 [2,0,0,0,0,0|1,0,0]=3 293 B10R1.17 CCCCc1ccccc1 TS36870 [2,0,0,0,0,0|1,0,1]=4 294 B10R1.17 CCNCc1ccccc1 TS06015 [2,0,0,0,0,0|1,0,1]=4 295 B10R1.17 CCOCc1ccccc1 TS37009 [2,0,0,0,0,0|0,0,1]=3 296 B10R1.17 CCSCc1ccccc1 TS41200 [2,0,0,0,0,0|0,1,1]=4 297 B10R1.17 CNCCc1ccccc1 TS01606 [2,0,0,0,0,0|2,0,0]=4 298 B10R1.17 COCCc1ccccc1 TS06081 [2,0,0,0,0,0|2,0,0]=4 299 B10R1.17 CSSCc1ccccc1 TS12900 [2,0,0,0,0,0|1,1,0]=4 300 B10R1.17 c1ccc(cc1)C#CC=O TS05539 [2,0,0,0,0,0|1,0,1]=4 301 B10R1.17 c1ccc(cc1)C=CC=O TS39725 [2,0,0,0,0,0|1,0,1]=4 302 B10R1.17 c1ccc(cc1)CCC=O TS01796 [2,0,0,0,0,0|1,0,0]=3 303 B10R1.17 c1ccc(cc1)CN=C=O TS36745 [2,0,0,0,0,0|1,0,1]=4 304 B10R1.17 c1ccc(cc1)CNC=O TS36937 [2,0,0,0,0,0|1,0,0]=3 305 B10R1.17 c1ccc(cc1)COC=O TS36984 [2,0,0,0,0,0|0,0,0]=2 306 B10R1.17 c1ccc(cc1)COCCl TS39818 [2,0,0,0,0,0|1,0,1]=4 307 B10R1.17 c1ccc(cc1)NNC=O TS06048 [2,0,0,0,0,0|2,0,0]=4 308 B10R1.17 c1ccc(cc1)OCC=O TS36991 [2,0,0,0,0,0|2,0,0]=4 309 B12R1.16 C[C@@H](c1ccc(cc1)Br)N=C=O TS24115 [1,1,0,0,0,0|1,0,1]=4 310 B12R1.16 C[C@H](c1ccc(cc1)Br)N=C=O TS24108 [1,1,0,0,0,0|1,0,1]=4 311 B12R1.30 CC=CCC(C)c1ccccc1 TS42205 [1,1,0,0,0,0|1,0,0]=3 312 B12R1.30 CCNCC(C)c1ccccc1 TS11759 [1,1,0,0,0,0|1,0,1]=4 313 B12R1.30 CN(C=CC=O)c1ccccc1 TS11403 [1,1,0,0,0,0|2,0,0]=4 314 B12R1.30 C[C@@H](c1ccccc1)NCCO TS12067 [1,1,0,0,0,0|1,0,1]=4 315 B12R1.30 C[C@H](c1ccccc1)NCC=C TS42344 [1,1,0,0,0,0|1,0,1]=4 316 B12R1.30 C[C@H](c1ccccc1)NCCO TS46579 [1,1,0,0,0,0|1,0,1]=4 317 B12R1.34 c1ccc(cc1)C(C(C=O)Br)Br TS35452 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.39 CC(CC=C)(c1ccccc1)O TS11584 [1,1,0,0,0,0|1,0,1]=4 319 B12R1.39 CCCC(C)(c1ccccc1)O TS42784 [1,1,0,0,0,0|1,0,1]=4 320 B12R1.39 CCO[Si](C)(C)c1ccccc1 TS47978 [1,1,0,0,0,0|0,1,1]=4 321 B12R1.308 CCCC(C)c1ccccc1O TS42783 [1,1,0,0,0,0|1,0,1]=4 322 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl TS47999 [1,1,0,0,0,0|1,0,1]=4 323 B12R1.21 CC(=O)C=Cc1ccc(cc1)F TS46721 [1,1,0,0,0,0|1,0,1]=4 324 B12R1.21 CC(=O)C=Cc1ccc(cc1)O TS11547 [1,1,0,0,0,0|1,0,1]=4 325 B12R1.21 CC(=O)CCc1ccc(cc1)Cl TS48370 [1,1,0,0,0,0|1,0,0]=3 326 B12R1.21 CC(=O)CCc1ccc(cc1)O TS11860 [1,1,0,0,0,0|1,0,0]=3 327 B12R1.21 CC(=O)CSc1ccc(cc1)Cl TS38024 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.21 CC(=O)CSc1ccc(cc1)F TS15289 [1,1,0,0,0,0|2,0,0]=4 329 B12R1.21 CC(=O)NCc1ccc(cc1)N TS11902 [1,1,0,0,0,0|1,0,0]=3 330 B12R1.21 CC(=O)OCc1ccc(cc1)Cl TS48659 [1,1,0,0,0,0|0,0,0]=2 331 B12R1.21 CC(=O)O[Hg]c1ccc(cc1)N TS64802 [1,1,0,0,0,0|1,0,0]=3 332 B12R1.21 Cc1ccc(cc1)CCC(=O)O TS42740 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.21 Cc1ccc(cc1)COC(=O)C TS11893 [1,1,0,0,0,0|0,0,0]=2 334 B12R1.21 c1cc(ccc1CCC(=O)N)O TS12027 [1,1,0,0,0,0|2,0,0]=4 335 B12R1.21 c1cc(ccc1CCC(=O)O)Br TS09422 [1,1,0,0,0,0|2,0,0]=4 336 B12R1.21 c1cc(ccc1CCC(=O)O)F TS44855 [1,1,0,0,0,0|2,0,0]=4 337 B12R1.21 c1cc(ccc1CCC(=O)O)I TS65689 [1,1,0,0,0,0|2,0,0]=4 338 B12R1.21 c1cc(ccc1CCC(=O)O)N TS09418 [1,1,0,0,0,0|2,0,0]=4 339 B12R1.21 c1cc(ccc1CCC(=O)O)O TS43042 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.21 c1cc(ccc1CCC(=O)O)S TS15000 [1,1,0,0,0,0|2,0,0]=4 341 B12R1.21 c1cc(ccc1CNC(=O)N)F TS12511 [1,1,0,0,0,0|2,0,0]=4 342 B12R1.21 c1cc(ccc1CNC(=O)N)N TS12035 [1,1,0,0,0,0|2,0,0]=4 343 B12R1.27 C=CC(=O)NCc1ccccc1 TS42309 [1,1,0,0,0,0|1,0,1]=4 344 B12R1.27 C=CC(=O)OCc1ccccc1 TS01378 [1,1,0,0,0,0|0,0,1]=3 345 B12R1.27 CCC(=O)CCc1ccccc1 TS08927 [1,1,0,0,0,0|1,0,0]=3 346 B12R1.27 CCC(=O)NNc1ccccc1 TS42777 [1,1,0,0,0,0|2,0,0]=4 347 B12R1.27 CCC(=O)OCc1ccccc1 TS42731 [1,1,0,0,0,0|0,0,0]=2 348 B12R1.27 CNC(=S)NCc1ccccc1 TS14661 [1,1,0,0,0,0|1,1,0]=4 349 B12R1.27 COC(=O)C#Cc1ccccc1 TS42134 [1,1,0,0,0,0|1,0,1]=4 350 B12R1.27 COC(=O)C=Cc1ccccc1 TS42433 [1,1,0,0,0,0|1,0,1]=4 351 B12R1.27 COC(=O)CCc1ccccc1 TS08580 [1,1,0,0,0,0|1,0,0]=3 352 B12R1.27 COC(=O)CCc1ccncc1 TS12012 [1,1,0,0,0,0|2,0,0]=4 353 B12R1.27 COC(=O)COc1ccccc1 TS12178 [1,1,0,0,0,0|2,0,0]=4 354 B12R1.27 COC(=O)CSc1ccccc1 TS15002 [1,1,0,0,0,0|2,0,0]=4 355 B12R1.27 CSC(=S)NCc1ccccc1 TS18500 [1,1,0,0,0,0|1,1,0]=4 356 B12R1.27 c1ccc(cc1)CCC(=O)NN TS42773 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.27 c1ccc(cc1)CCC(=O)NO TS42907 [1,1,0,0,0,0|2,0,0]=4 358 B12R1.27 c1ccc(cc1)CNC(=O)CBr TS24462 [1,1,0,0,0,0|1,0,0]=3 359 B12R1.27 c1ccc(cc1)CNC(=O)CCl TS48489 [1,1,0,0,0,0|1,0,0]=3 360 B12R1.27 c1ccc(cc1)COC(=O)CBr TS59636 [1,1,0,0,0,0|0,0,0]=2 361 B12R1.27 c1ccc(cc1)COC(=O)CCl TS48661 [1,1,0,0,0,0|0,0,0]=2 362 B12R1.27 c1ccc(cc1)COC(=O)CN TS01384 [1,1,0,0,0,0|0,0,0]=2 363 B12R1.27 c1ccc(cc1)COC(=O)CN TS42888 [1,1,0,0,0,0|0,0,0]=2 364 B12R1.27 c1ccc(cc1)COC(=O)CN TS78338 [1,1,0,0,0,0|0,0,0]=2 365 B12R1.27 c1ccc(cc1)COC(=O)CO TS12174 [1,1,0,0,0,0|0,0,0]=2 366 B12R1.27 c1ccc(cc1)COC(=O)CS TS15006 [1,1,0,0,0,0|0,0,0]=2 367 B12R1.27 c1ccc(cc1)COC(=O)NN TS01382 [1,1,0,0,0,0|1,0,0]=3 368 B12R1.27 c1ccc(cc1)COC(=O)NN TS38352 [1,1,0,0,0,0|1,0,0]=3 369 B12R1.27 c1ccc(cc1)COC(=O)NO TS43211 [1,1,0,0,0,0|1,0,0]=3 370 B12R1.43 C=C(Cc1ccccc1)C(=O)O TS59943 [1,1,0,0,0,0|2,0,0]=4 371 B12R1.43 C=C(Cc1ccccc1)C(=O)O TS93908 [1,1,0,0,0,0|2,0,0]=4 372 B12R1.43 CC(C(=O)C)Oc1ccccc1 TS11848 [1,1,0,0,0,0|2,0,0]=4 373 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O TS42697 [1,1,0,0,0,0|2,0,0]=4 374 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS19705 [1,1,0,0,0,0|2,0,0]=4 375 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS48842 [1,1,0,0,0,0|2,0,0]=4 376 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS66652 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.43 c1ccc(cc1)CC(C(=O)N)N TS38014 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.43 c1ccc(cc1)CC(C(=O)O)Br TS52786 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.43 c1ccc(cc1)CC(C(=O)O)N TS43080 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.43 c1ccc(cc1)CC(C(=O)O)N TS55882 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.43 c1ccc(cc1)CC(C(=O)O)O TS43054 [1,1,0,0,0,0|2,0,0]=4 382 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N TS07935 [1,1,0,0,0,0|2,0,0]=4 383 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N TS38013 [1,1,0,0,0,0|2,0,0]=4 384 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N TS01531 [1,1,0,0,0,0|2,0,0]=4 385 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O TS56210 [1,1,0,0,0,0|2,0,0]=4 386 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N TS38015 [1,1,0,0,0,0|2,0,0]=4 387 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N TS42770 [1,1,0,0,0,0|2,0,0]=4 388 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br TS52787 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl TS15389 [1,1,0,0,0,0|2,0,0]=4 390 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N TS08006 [1,1,0,0,0,0|2,0,0]=4 391 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O TS12176 [1,1,0,0,0,0|2,0,0]=4 392 B12R1.125 CC(=O)C=Cc1ccccc1Cl TS48001 [1,1,0,0,0,0|1,0,1]=4 393 B12R1.125 CC(=O)NCc1ccccc1Br TS24458 [1,1,0,0,0,0|1,0,0]=3 394 B12R1.125 Cc1ccccc1CCC(=O)O TS11858 [1,1,0,0,0,0|2,0,0]=4 395 B12R1.125 Cc1ccccc1COC(=O)C TS42751 [1,1,0,0,0,0|0,0,0]=2 396 B12R1.125 c1ccc(c(c1)CCC(=O)N)O TS42899 [1,1,0,0,0,0|2,0,0]=4 397 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br TS65670 [1,1,0,0,0,0|2,0,0]=4 398 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl TS15380 [1,1,0,0,0,0|2,0,0]=4 399 B12R1.125 c1ccc(c(c1)CCC(=O)O)F TS00179 [1,1,0,0,0,0|2,0,0]=4 400 B12R1.125 c1ccc(c(c1)CCC(=O)O)I TS31068 [1,1,0,0,0,0|2,0,0]=4 401 B12R1.125 c1ccc(c(c1)CCC(=O)O)O TS43049 [1,1,0,0,0,0|2,0,0]=4 402 B12R1.125 c1ccc(c(c1)COC(=O)Cl)Cl TS19899 [1,1,0,0,0,0|1,0,0]=3 403 B12R1.226 Cc1cccc(c1)CCC(=O)O TS11878 [1,1,0,0,0,0|2,0,0]=4 404 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O TS09412 [1,1,0,0,0,0|2,0,0]=4 405 B12R1.226 c1cc(cc(c1)F)CCC(=O)O TS44844 [1,1,0,0,0,0|2,0,0]=4 406 B12R1.226 c1cc(cc(c1)I)CCC(=O)O TS31076 [1,1,0,0,0,0|2,0,0]=4 407 B12R1.226 c1cc(cc(c1)N)CCC(=O)O TS09411 [1,1,0,0,0,0|2,0,0]=4 408 B12R1.226 c1cc(cc(c1)N)CCC(=O)O TS19280 [1,1,0,0,0,0|2,0,0]=4 409 B12R1.226 c1cc(cc(c1)O)CCC(=O)O TS43037 [1,1,0,0,0,0|2,0,0]=4 410 B12R1.891 C[Si](C)(C)OCc1ccccc1 TS47979 [1,1,0,0,0,0|1,1,0]=4 411 B12R1.20 CC(=O)C(=O)c1ccc(cc1)Cl TS48347 [0,1,0,0,1,0|1,0,1]=4 412 B12R1.20 CC(=O)N(C)c1ccc(cc1)N TS42768 [0,1,0,0,1,0|1,0,0]=3 413 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O TS15384 [0,1,0,0,1,0|1,0,0]=3 414 B12R1.20 CC(c1ccc(cc1)O)C(=O)O TS43033 [0,1,0,0,1,0|1,0,0]=3 415 B12R1.20 Cc1ccc(cc1)C(C(=O)O)N TS42892 [0,1,0,0,1,0|2,0,0]=4 416 B12R1.20 Cc1ccc(cc1)C(C)C(=O)O TS65000 [0,1,0,0,1,0|1,0,0]=3 417 B12R1.20 c1cc(ccc1C(C(=O)O)Br)Cl TS27946 [0,1,0,0,1,0|2,0,0]=4 418 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br TS65021 [0,1,0,0,1,0|2,0,0]=4 419 B12R1.20 c1cc(ccc1C(C(=O)O)N)Cl TS15524 [0,1,0,0,1,0|2,0,0]=4 420 B12R1.20 c1cc(ccc1C(C(=O)O)N)F TS03091 [0,1,0,0,1,0|2,0,0]=4 421 B12R1.20 c1cc(ccc1C(C(=O)O)N)I TS31200 [0,1,0,0,1,0|2,0,0]=4 422 B12R1.20 c1cc(ccc1C(C(=O)O)O)Br TS53111 [0,1,0,0,1,0|2,0,0]=4 423 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl TS15716 [0,1,0,0,1,0|2,0,0]=4 424 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl TS93829 [0,1,0,0,1,0|2,0,0]=4 425 B12R1.20 c1cc(ccc1C(C(=O)O)O)F TS45083 [0,1,0,0,1,0|2,0,0]=4 426 B12R1.20 c1cc(ccc1C(C(=O)O)O)O TS44810 [0,1,0,0,1,0|2,0,0]=4 427 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)Cl TS15516 [0,1,0,0,1,0|2,0,0]=4 428 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F TS00312 [0,1,0,0,1,0|2,0,0]=4 429 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)Cl TS15721 [0,1,0,0,1,0|2,0,0]=4 430 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)Cl TS22966 [0,1,0,0,1,0|2,0,0]=4 431 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)F TS39566 [0,1,0,0,1,0|2,0,0]=4 432 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)I TS31196 [0,1,0,0,1,0|2,0,0]=4 433 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)N TS12219 [0,1,0,0,1,0|2,0,0]=4 434 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)Br TS53116 [0,1,0,0,1,0|2,0,0]=4 435 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)Cl TS15710 [0,1,0,0,1,0|2,0,0]=4 436 B12R1.124 CC(c1ccccc1Cl)C(=O)O TS15383 [0,1,0,0,1,0|1,0,0]=3 437 B12R1.124 CC(c1ccccc1O)C(=O)O TS12173 [0,1,0,0,1,0|1,0,0]=3 438 B12R1.124 c1ccc(c(c1)C(C(=O)O)Br)Cl TS09017 [0,1,0,0,1,0|2,0,0]=4 439 B12R1.124 c1ccc(c(c1)C(C(=O)O)Br)Cl TS93283 [0,1,0,0,1,0|2,0,0]=4 440 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Br TS24813 [0,1,0,0,1,0|2,0,0]=4 441 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)O TS12360 [0,1,0,0,1,0|2,0,0]=4 442 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)Br TS53123 [0,1,0,0,1,0|2,0,0]=4 443 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)Cl TS07850 [0,1,0,0,1,0|2,0,0]=4 444 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)F TS45081 [0,1,0,0,1,0|2,0,0]=4 445 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)O TS12355 [0,1,0,0,1,0|2,0,0]=4 446 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)O)Cl TS22968 [0,1,0,0,1,0|2,0,0]=4 447 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)Cl TS01411 [0,1,0,0,1,0|2,0,0]=4 448 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)O TS43197 [0,1,0,0,1,0|2,0,0]=4 449 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)O)Cl TS22962 [0,1,0,0,1,0|2,0,0]=4 450 B12R1.225 CC(c1cccc(c1)Br)C(=O)O TS47050 [0,1,0,0,1,0|1,0,0]=3 451 B12R1.225 CC(c1cccc(c1)Cl)C(=O)O TS48658 [0,1,0,0,1,0|1,0,0]=3 452 B12R1.225 Cc1cccc(c1)C(C(=O)O)O TS43039 [0,1,0,0,1,0|2,0,0]=4 453 B12R1.225 c1cc(cc(c1)Br)C(C(=O)O)N TS24822 [0,1,0,0,1,0|2,0,0]=4 454 B12R1.225 c1cc(cc(c1)Br)C(C(=O)O)O TS53115 [0,1,0,0,1,0|2,0,0]=4 455 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)N TS33220 [0,1,0,0,1,0|2,0,0]=4 456 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)O TS15708 [0,1,0,0,1,0|2,0,0]=4 457 B12R1.225 c1cc(cc(c1)Cl)[C@@H](C(=O)O)O TS15715 [0,1,0,0,1,0|2,0,0]=4 458 B12R1.225 c1cc(cc(c1)Cl)[C@H](C(=O)O)N TS15506 [0,1,0,0,1,0|2,0,0]=4 459 B12R1.225 c1cc(cc(c1)F)C(C(=O)O)N TS12657 [0,1,0,0,1,0|2,0,0]=4 460 B12R1.225 c1cc(cc(c1)F)[C@@H](C(=O)O)N TS12662 [0,1,0,0,1,0|2,0,0]=4 461 B12R1.225 c1cc(cc(c1)O)C(C(=O)O)O TS44825 [0,1,0,0,1,0|2,0,0]=4 462 B12R1.225 c1cc(cc(c1)O)[C@H](C(=O)O)N TS43196 [0,1,0,0,1,0|2,0,0]=4 463 B12R1.253 CC(C)(c1ccccc1)C(=O)O TS01108 [0,1,0,0,1,0|1,0,0]=3 464 B12R1.253 CC(c1ccccc1)(C(=O)O)N TS12005 [0,1,0,0,1,0|1,0,0]=3 465 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)O TS43029 [0,1,0,0,1,0|1,0,0]=3 466 B12R1.253 C[C@](c1ccccc1)(C(=O)O)N TS12025 [0,1,0,0,1,0|1,0,0]=3 467 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O TS12161 [0,1,0,0,1,0|1,0,0]=3 468 B12R1.253 c1ccc(cc1)C(C(=O)N)(F)F TS12964 [0,1,0,0,1,0|2,0,0]=4 469 B12R1.478 CC(=O)C(C#N)c1ccccc1 TS65634 [0,1,0,0,1,0|0,0,1]=3 470 B12R1.478 CCC(c1ccccc1)C(=O)Cl TS48366 [0,1,0,0,1,0|1,0,0]=3 471 B12R1.478 CCC(c1ccccc1)C(=O)N TS42598 [0,1,0,0,1,0|1,0,0]=3 472 B12R1.478 CCC(c1ccccc1)C(=O)O TS42761 [0,1,0,0,1,0|1,0,0]=3 473 B12R1.478 CCN(c1ccccc1)C(=O)C TS42596 [0,1,0,0,1,0|1,0,0]=3 474 B12R1.478 CN(C)C(CN)c1ccccc1 TS11946 [0,1,0,0,1,0|2,0,0]=4 475 B12R1.478 CN[C@@H](c1ccccc1)C(=O)O TS42891 [0,1,0,0,1,0|1,0,0]=3 476 B12R1.478 COC(c1ccccc1)C(=O)O TS12180 [0,1,0,0,1,0|1,0,0]=3 477 B12R1.478 COC(c1ccccc1)C(=O)[O-] TS15927 [0,1,0,0,1,0|1,0,0]=3 478 B12R1.478 CO[C@@H](c1ccccc1)C(=O)O TS43053 [0,1,0,0,1,0|1,0,0]=3 479 B12R1.478 CO[C@H](c1ccccc1)C(=O)O TS39563 [0,1,0,0,1,0|1,0,0]=3 480 B12R1.478 c1ccc(cc1)C(CO)C(=O)N TS34758 [0,1,0,0,1,0|1,0,0]=3 481 B12R1.478 c1ccc(cc1)C(CO)C(=O)O TS12203 [0,1,0,0,1,0|1,0,0]=3 482 B14R1.415 CC(c1ccccc1)NC(=O)C(=C)C TS50950 [0,1,0,0,0,1|2,0,0]=4 483 B14R1.417 CC(=O)[ClH]C(=O)C(c1ccccc1)O TS44260 [0,1,0,0,0,1|2,0,0]=4 484 B14R1.678 CC(=O)OCC(=O)c1ccc(cc1)Br TS29014 [0,1,0,0,0,1|1,0,1]=4 485 B14R1.678 CC(=O)OCC(=O)c1ccc(cc1)Cl TS44263 [0,1,0,0,0,1|1,0,1]=4 486 B14R1.678 Cc1ccc(cc1)C(=O)COC(=O)C TS17461 [0,1,0,0,0,1|1,0,1]=4 487 B14R1.1485 CC(=O)OC(C)(C)Cc1ccccc1 TS17523 [0,1,0,0,0,1|0,0,0]=2 488 B14R1.29 CCCC(=O)OC(C)c1ccccc1 TS17524 [0,2,0,0,0,0|0,0,0]=2 489 B14R1.29 CCOC(=O)CC(c1ccccc1)N TS51656 [0,2,0,0,0,0|2,0,0]=4 490 B14R1.29 CCOC(=O)CC(c1ccccc1)O TS51816 [0,2,0,0,0,0|2,0,0]=4 491 B14R1.29 CCOC(=O)C[C@@H](c1ccccc1)N TS52908 [0,2,0,0,0,0|2,0,0]=4 492 B14R1.29 CCOC(=O)C[C@@H](c1ccccc1)O TS17857 [0,2,0,0,0,0|2,0,0]=4 493 B14R1.29 CCOC(=O)C[C@H](c1ccccc1)N TS52911 [0,2,0,0,0,0|2,0,0]=4 494 B14R1.29 CCOC(=O)C[C@H](c1ccccc1)O TS17848 [0,2,0,0,0,0|2,0,0]=4 495 B14R1.29 CCOC(=O)N[C@@H](C)c1ccccc1 TS51654 [0,2,0,0,0,0|1,0,0]=3 496 B14R1.85 COC(=O)[C@@H]([C@H](c1ccccc1)N)O TS08008 [0,2,0,0,0,0|2,0,0]=4 497 B14R1.85 COC(=O)[C@@H]([C@H](c1ccccc1)O)O TS18228 [0,2,0,0,0,0|2,0,0]=4 498 B14R1.85 COC(=O)[C@H]([C@@H](c1ccccc1)O)O TS53650 [0,2,0,0,0,0|2,0,0]=4 499 B14R1.741 CCC(=O)CC(C)(C)c1ccccc1 TS19828 [0,2,0,0,0,0|1,0,0]=3 500 B14R1.694 Cc1ccc(cc1)C(C)(C)CC(=O)O TS51507 [0,2,0,0,0,0|2,0,0]=4 501 B14R1.1019 c1cc(ccc1C(CC(=O)O)CN)Cl TS44405 [0,2,0,0,0,0|2,0,0]=4 502 B14R1.1019 c1cc(ccc1[C@@H](CC(=O)O)CN)Cl TS28000 [0,2,0,0,0,0|2,0,0]=4 503 B14R1.1019 c1cc(ccc1[C@@H](CC(=O)O)CN)Cl TS44411 [0,2,0,0,0,0|2,0,0]=4 504 B14R1.515 CC(=O)OC(CC=C)c1ccccc1 TS17121 [0,2,0,0,0,0|0,0,0]=2 505 B14R1.6455 CC(=O)CC(c1ccccc1)C(=O)O TS51454 [0,2,0,0,0,0|1,0,1]=4 506 B14R1.6455 CC(=O)O[C@H](c1ccccc1)C(=O)O TS01947 [0,2,0,0,0,0|0,0,1]=3 507 B12R2.2 c1ccc(cc1)C2CCCC2 TS07262 [1,0,0,1,0,0|1,0,1]=4 508 B12R2.2 c1ccc(cc1)C2CCCN2 TS65643 [1,0,0,1,0,0|1,0,1]=4 509 B12R2.2 c1ccc(cc1)C2CCCO2 TS86553 [1,0,0,1,0,0|0,0,1]=3 510 B12R2.2 c1ccc(cc1)C2CCNC2 TS02878 [1,0,0,1,0,0|2,0,0]=4 511 B12R2.2 c1ccc(cc1)C2CCNC2 TS48496 [1,0,0,1,0,0|2,0,0]=4 512 B12R2.2 c1ccc(cc1)C2OCCO2 TS09861 [1,0,0,1,0,0|1,0,1]=4 513 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 TS15212 [1,0,0,1,0,0|2,0,0]=4 514 B12R2.22 c1ccc(cc1)C2CC(=O)C2 TS89513 [1,0,0,1,0,0|1,0,0]=3 515 B12R2.22 c1ccc(cc1)C2CC(=O)N2 TS40527 [1,0,0,1,0,0|1,0,0]=3 516 B12R2.116 CC1(CNC1)c2ccccc2 TS40568 [1,0,0,1,0,0|2,0,0]=4 517 B12R2.2028 CC1CC(=O)c2c1cccc2 TS07233 [1,0,0,1,0,0|1,0,0]=3 518 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O TS74508 [1,0,0,1,0,0|1,0,1]=4 519 B12R2.2028 c1ccc2c(c1)C(OC2=O)Br TS44286 [1,0,0,1,0,0|1,0,0]=3 520 B12R2.2028 c1ccc2c(c1)C(OC2=O)Cl TS46457 [1,0,0,1,0,0|1,0,0]=3 521 B12R2.24 c1ccc2c(c1)CC(=O)CO2 TS07410 [1,0,0,1,0,0|2,0,0]=4 522 B12R2.24 c1ccc2c(c1)CC(=O)CS2 TS11911 [1,0,0,1,0,0|2,0,0]=4 523 B12R2.24 c1ccc2c(c1)CC(=O)NC2 TS46807 [1,0,0,1,0,0|1,0,0]=3 524 B12R2.24 c1ccc2c(c1)CC(=O)OC2 TS08988 [1,0,0,1,0,0|0,0,0]=2 525 B12R2.24 c1ccc2c(c1)CCC(=O)C2 TS65651 [1,0,0,1,0,0|1,0,0]=3 526 B12R2.24 c1ccc2c(c1)CCC(=O)N2 TS02541 [1,0,0,1,0,0|2,0,0]=4 527 B12R2.24 c1ccc2c(c1)CCC(=O)O2 TS01918 [1,0,0,1,0,0|2,0,0]=4 528 B12R2.3190 c1ccc2c(c1)CC2C(=O)O TS39585 [1,0,0,1,0,0|2,0,0]=4 529 B12R2.18 CC1c2ccccc2NC1=O TS85089 [0,0,0,1,1,0|1,0,0]=3 530 B12R2.18 CC1c2ccccc2NC1C TS40570 [0,0,0,1,1,0|1,0,1]=4 531 B12R2.18 CN1c2ccccc2CC1=O TS40524 [0,0,0,1,1,0|1,0,0]=3 532 B12R2.18 Cc1c([nH]c2c1cccc2)C TS32886 [0,0,0,1,1,0|1,0,1]=4 533 B12R2.18 Cc1c(oc2c1cccc2)C TS07222 [0,0,0,1,1,0|0,0,2]=4 534 B12R2.18 Cc1c(sc2c1cccc2)C TS11616 [0,0,0,1,1,0|0,1,1]=4 535 B12R2.18 Cc1cc2ccccc2n1C TS00349 [0,0,0,1,1,0|2,0,0]=4 536 B12R2.18 Cn1c2ccccc2oc1=O TS40731 [0,0,0,1,1,0|2,0,0]=4 537 B12R2.18 Cn1c2ccccc2sc1=O TS42917 [0,0,0,1,1,0|2,0,0]=4 538 B12R2.18 c1ccc2c(c1)C(C(=O)N2)N TS07428 [0,0,0,1,1,0|2,0,0]=4 539 B12R2.18 c1ccc2c(c1)C(C(=O)O2)Br TS44289 [0,0,0,1,1,0|2,0,0]=4 540 B12R2.18 c1ccc2c(c1)CC(=O)C2=O TS07174 [0,0,0,1,1,0|1,0,1]=4 541 B14R2.68 c1ccc(cc1)C2CCC(=O)CC2 TS13540 [0,0,0,1,0,1|1,0,0]=3 542 B14R2.68 c1ccc(cc1)N2CCC(=O)CC2 TS45988 [0,0,0,1,0,1|2,0,0]=4 543 B14R2.68 c1ccc(cc1)[C@@H]2COC(=O)CN2 TS14025 [0,0,0,1,0,1|1,0,0]=3 544 B14R2.68 c1ccc(cc1)[C@H]2COC(=O)CN2 TS14026 [0,0,0,1,0,1|1,0,0]=3 545 B14R2.19 c1ccc(cc1)CN2CCC(=O)C2 TS87965 [0,0,0,1,0,1|2,0,0]=4 546 B14R2.19 c1ccc(cc1)C[C@H]2COC(=O)N2 TS94228 [0,0,0,1,0,1|2,0,0]=4 547 B14R2.19 c1ccc(cc1)C[C@H]2CSC(=O)N2 TS51694 [0,0,0,1,0,1|2,0,0]=4 548 B14R2.598 C[C@@H]1[C@@H](OC(=O)N1)c2ccccc2 TS59856 [0,0,0,1,0,1|2,0,0]=4 549 B14R2.598 C[C@H]1[C@H](OC(=O)N1)c2ccccc2 TS14028 [0,0,0,1,0,1|2,0,0]=4 550 B14R2.598 c1ccc(cc1)C2CC(=O)OC2=O TS46049 [0,0,0,1,0,1|1,0,1]=4 551 B14R2.738 CC1CC(=O)Nc2ccccc2N1 TS46138 [0,0,0,1,0,1|2,0,0]=4 552 B14R2.21 c1ccc(cc1)C2CC(=O)CCN2 TS22817 [0,1,0,1,0,0|1,0,0]=3 553 B14R2.21 c1ccc(cc1)C2CCCC(=O)C2 TS13534 [0,1,0,1,0,0|1,0,0]=3 554 B14R2.260 CC1C(=O)OC(=N1)c2ccccc2 TS45942 [0,1,0,1,0,0|1,0,1]=4 555 B14R2.260 CC1CN(NC1=O)c2ccccc2 TS47019 [0,1,0,1,0,0|2,0,0]=4 556 B14R2.7724 Cn1c2ccccc2c(=O)oc1=O TS13984 [0,1,0,1,0,0|1,0,1]=4 557 B14R2.20 c1cc(ccc1C2CCC(=O)O2)F TS14567 [0,1,0,1,0,0|0,0,0]=2 558 B14R2.450 Cc1c2ccccc2sc1C(=O)C TS51148 [0,1,0,1,0,0|1,0,1]=4 559 B14R2.2 CC(=O)Oc1c[nH]c2c1cccc2 TS01500 [0,1,0,1,0,0|0,0,2]=4 560 B14R2.2 CC(=O)Oc1coc2c1cccc2 TS46052 [0,1,0,1,0,0|0,0,2]=4 561 B14R2.2 c1ccc2c(c1)CCC2CC(=O)O TS01064 [0,1,0,1,0,0|2,0,0]=4 562 B14R2.2 c1ccc2c(c1)CCC2CC(=O)O TS13859 [0,1,0,1,0,0|2,0,0]=4 563 B14R2.5443 Cc1ccccc1[C@@H]2C[C@H]2C(=O)O TS13853 [0,1,0,1,0,0|2,0,0]=4 564 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [1,0,0,0,1,0|1,0,0]=3 565 B10R1.18 CC(=Cc1ccccc1)C TS36699 [1,0,0,0,1,0|1,0,1]=4 566 B10R1.18 CC(=O)C[n+]1ccccc1 TS21976 [1,0,0,0,1,0|1,0,0]=3 567 B10R1.18 CC(=O)C[n+]1ccccc1 TS45387 [1,0,0,0,1,0|1,0,0]=3 568 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [1,0,0,0,1,0|0,0,0]=2 569 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [1,0,0,0,1,0|1,0,0]=3 570 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [1,0,0,0,1,0|1,0,0]=3 571 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [1,0,0,0,1,0|1,0,0]=3 572 B10R1.18 CC(=O)Cc1ccncc1 TS29470 [1,0,0,0,1,0|1,0,0]=3 573 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [1,0,0,0,1,0|1,0,0]=3 574 B10R1.18 CC(=O)Nc1ccccn1 TS36993 [1,0,0,0,1,0|2,0,0]=4 575 B10R1.18 CC(=O)Nc1cccnc1 TS06049 [1,0,0,0,1,0|2,0,0]=4 576 B10R1.18 CC(=O)Nc1ccncc1 TS65112 [1,0,0,0,1,0|2,0,0]=4 577 B10R1.18 CC(=O)Oc1cccnc1 TS06165 [1,0,0,0,1,0|1,0,0]=3 578 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [1,0,0,0,1,0|0,1,0]=3 579 B10R1.18 CC(=S)Nc1ccccc1 TS10093 [1,0,0,0,1,0|1,1,0]=4 580 B10R1.18 CC(C)Cc1ccccc1 TS74509 [1,0,0,0,1,0|1,0,1]=4 581 B10R1.18 CC(Cc1ccccc1)Br TS55076 [1,0,0,0,1,0|1,0,1]=4 582 B10R1.18 CC(Cc1ccccc1)N TS06010 [1,0,0,0,1,0|1,0,1]=4 583 B10R1.18 CC(Cc1ccccc1)O TS47018 [1,0,0,0,1,0|0,0,2]=4 584 B10R1.18 CN(C)Cc1ccccc1 TS06009 [1,0,0,0,1,0|2,0,0]=4 585 B10R1.18 CN(C)Cc1ccccc1 TS45394 [1,0,0,0,1,0|2,0,0]=4 586 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [1,0,0,0,1,0|1,0,0]=3 587 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [1,0,0,0,1,0|1,0,1]=4 588 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [1,0,0,0,1,0|1,0,1]=4 589 B10R1.18 C[SiH](C)Cc1ccccc1 TS40934 [1,0,0,0,1,0|1,1,0]=4 590 B10R1.18 c1cc(cnc1)CC(=O)O TS94291 [1,0,0,0,1,0|2,0,0]=4 591 B10R1.18 c1cc(cnc1)CC(=O)O TS94292 [1,0,0,0,1,0|2,0,0]=4 592 B10R1.18 c1cc[n+](cc1)CC(=O)N TS45571 [1,0,0,0,1,0|2,0,0]=4 593 B10R1.18 c1cc[n+](cc1)CC(=O)O TS13410 [1,0,0,0,1,0|2,0,0]=4 594 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [1,0,0,0,1,0|1,0,0]=3 595 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [1,0,0,0,1,0|1,0,0]=3 596 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [1,0,0,0,1,0|1,0,0]=3 597 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [1,0,0,0,1,0|1,0,0]=3 598 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [1,0,0,0,1,0|1,0,0]=3 599 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [1,0,0,0,1,0|1,0,0]=3 600 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [1,0,0,0,1,0|1,1,0]=4 601 B10R1.18 c1ccc(cc1)NC(=O)F TS37274 [1,0,0,0,1,0|2,0,0]=4 602 B10R1.18 c1ccc(cc1)NC(=O)N TS06065 [1,0,0,0,1,0|2,0,0]=4 603 B10R1.18 c1ccc(cc1)OC(=O)Cl TS10789 [1,0,0,0,1,0|1,0,0]=3 604 B10R1.18 c1ccc(cc1)OC(=O)N TS06164 [1,0,0,0,1,0|1,0,0]=3 605 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45574 [1,0,0,0,1,0|1,1,0]=4 606 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45577 [1,0,0,0,1,0|1,1,0]=4 607 B10R1.18 c1ccnc(c1)CC(=O)N TS06050 [1,0,0,0,1,0|2,0,0]=4 608 B10R1.18 c1ccnc(c1)CC(=O)O TS02474 [1,0,0,0,1,0|2,0,0]=4 609 B10R1.18 c1cnccc1CC(=O)N TS36994 [1,0,0,0,1,0|2,0,0]=4 610 B10R1.66 CC(=O)OCc1ccco1 TS37347 [1,0,0,0,1,0|1,0,0]=3 611 B10R1.66 CC(=S)OCc1ccco1 TS10696 [1,0,0,0,1,0|1,1,0]=4 612 B12R1.32 CCCC(C)Cc1ccccc1 TS11628 [1,0,0,0,0,1|1,0,1]=4 613 B12R1.32 CCNC(C)Cc1ccccc1 TS11746 [1,0,0,0,0,1|1,0,1]=4 614 B12R1.252 CC(=O)C=NNc1ccccc1 TS11572 [1,0,0,0,0,1|2,0,0]=4 615 B12R1.252 CC(=O)CSCc1ccccc1 TS14651 [1,0,0,0,0,1|0,1,0]=3 616 B12R1.252 CC(=O)NCCc1ccccc1 TS42602 [1,0,0,0,0,1|1,0,0]=3 617 B12R1.252 CC(=O)OCCc1ccccc1 TS11854 [1,0,0,0,0,1|0,0,0]=2 618 B12R1.252 C[C@@H](COCc1ccccc1)O TS43107 [1,0,0,0,0,1|0,0,2]=4 619 B12R1.252 C[C@H](COCc1ccccc1)O TS43112 [1,0,0,0,0,1|0,0,2]=4 620 B12R1.252 c1ccc(cc1)CCCC(=O)Cl TS48364 [1,0,0,0,0,1|2,0,0]=4 621 B12R1.252 c1ccc(cc1)COCC(=O)Cl TS55761 [1,0,0,0,0,1|1,0,0]=3 622 B12R1.252 c1ccc(cc1)COCC(=O)O TS09024 [1,0,0,0,0,1|1,0,0]=3 623 B12R1.252 c1ccc(cc1)CONC(=O)N TS09026 [1,0,0,0,0,1|1,0,0]=3 624 B12R1.252 c1ccc(cc1)CSCC(=O)N TS14831 [1,0,0,0,0,1|1,1,0]=4 625 B12R1.252 c1ccc(cc1)CSCC(=O)O TS15003 [1,0,0,0,0,1|1,1,0]=4 626 B12R1.252 c1ccc(cc1)NCCC(=O)N TS11897 [1,0,0,0,0,1|2,0,0]=4 627 B12R1.252 c1ccc(cc1)NCCC(=O)O TS42898 [1,0,0,0,0,1|2,0,0]=4 628 B12R1.252 c1ccc(cc1)OCCC(=O)O TS43043 [1,0,0,0,0,1|2,0,0]=4 629 B12R1.252 c1ccc(cc1)SCCC(=O)O TS15008 [1,0,0,0,0,1|2,0,0]=4 630 B14R1.420 CC(=O)OCCC(=C)c1ccccc1 TS17119 [0,0,0,0,0,2|0,0,2]=4 631 B14R1.420 CC(c1ccccc1)NCCC(=O)O TS17681 [0,0,0,0,0,2|2,0,0]=4 632 B14R1.818 CC(=CC(=O)C)NCc1ccccc1 TS50961 [0,0,0,0,0,2|1,0,1]=4