0 B12R1.56 C#CC1=C(C=CC(=C1)C(=O)O)C Z1262529010 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.56 CC(=O)C1=CC(=C(C=C1)Br)C=O Z3325945410 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)C#N Z1198160291 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)CCl Z56896221 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)C#N Z1255360522 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)C=O Z1262560013 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)CN Z2417557044 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)CO Z1262538882 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.56 CC1=C(C=C(C=N1)C(=O)O)C#N Z1198323359 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.56 CCC1=C(C=CC(=C1)C(=O)O)Br Z1269205442 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.56 CCC1=C(C=CC(=C1)C(=O)O)Cl Z1198314407 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.56 CCC1=C(C=CC(=C1)C(=O)O)F Z1255492920 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.56 CCC1=C(C=CC(=C1)C(=O)O)O Z1255420244 [0,0,0,0,0,0|1,0,0]=1 13 B12R1.56 CNC1=C(C=CC(=C1)[N+](=O)[O-])N Z1198234411 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.56 COC1=C(C=CC(=C1)B(O)O)Cl Z360059556 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.56 COC1=C(C=CC(=C1)B(O)O)F Z1741976235 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.56 COC1=C(C=CC(=C1)C(=O)C)Cl Z1198331246 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.56 COC1=C(C=CC(=C1)C(=O)C)F Z1201620068 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.56 COC1=C(C=CC(=C1)C(=O)C)O Z57234303 [0,0,0,0,0,0|1,0,0]=1 19 B12R1.56 COC1=C(C=CC(=C1)C(=O)N)F Z1198168690 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.56 COC1=C(C=CC(=C1)C(=O)N)N Z1126160967 [0,0,0,0,0,0|2,0,0]=2 21 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)C Z104511172 [0,0,0,0,0,0|1,0,0]=1 22 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)Cl Z1741972864 [0,0,0,0,0,0|1,0,0]=1 23 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F Z1201620067 [0,0,0,0,0,0|1,0,0]=1 24 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)I Z1269139629 [0,0,0,0,0,0|1,0,0]=1 25 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O Z381356666 [0,0,0,0,0,0|0,0,0]=0 26 B12R1.56 COC1=C(C=CC(=C1)C(C)C)C Z54854001 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.56 COC1=C(C=CC(=C1)C(C)N)F Z1198747325 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])I Z406674790 [0,0,0,0,0,0|2,0,1]=3 29 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])N Z104477890 [0,0,0,0,0,0|2,0,1]=3 30 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O Z415740558 [0,0,0,0,0,0|1,0,1]=2 31 B12R1.56 COC1=C(C=NC(=C1)C(=O)O)Br Z1269180517 [0,0,0,0,0,0|2,0,0]=2 32 B12R1.56 COC1=C(C=NC(=C1)C(=O)O)C Z1362754524 [0,0,0,0,0,0|2,0,0]=2 33 B12R1.56 COC1=C(N=CC(=C1)C(=O)O)Br Z1269150433 [0,0,0,0,0,0|2,0,0]=2 34 B12R1.56 COC1=C(N=CC(=C1)C(=O)O)O Z1201626480 [0,0,0,0,0,0|1,0,0]=1 35 B12R1.56 COC1=CC(=CNC1=O)[N+](=O)[O-] Z2678251421 [0,0,0,0,0,0|2,0,2]=4 36 B12R1.56 CSC1=C(C=CC(=C1)B(O)O)F Z1551937168 [0,0,0,0,0,0|2,1,1]=4 37 B12R1.56 CSC1=C(C=CC(=C1)C(=O)O)Br Z1551925183 [0,0,0,0,0,0|1,1,0]=2 38 B12R1.56 CSC1=C(C=CC(=C1)C(=O)O)F Z1262553189 [0,0,0,0,0,0|1,1,0]=2 39 B12R1.56 CSC1=C(C=CC(=C1)C(=O)O)N Z185587022 [0,0,0,0,0,0|1,1,0]=2 40 B12R1.56 N#CC1=C(C=CC(=C1)B(O)O)O Z1255441969 [0,0,0,0,0,0|3,0,1]=4 41 B12R1.56 N#CC1=C(C=CC(=C1)C(=O)O)Cl Z1255446950 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.56 N#CC1=C(C=CC(=C1)C(=O)O)F Z1255365356 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.56 N#CC1=C(C=CC(=C1)[N+](=O)[O-])O Z362770844 [0,0,0,0,0,0|3,0,1]=4 44 B12R1.56 N#CC1=C(C=CC(=N1)C(=O)O)Cl Z1255449319 [0,0,0,0,0,0|4,0,0]=4 45 B12R1.56 NC1=C(C=C(C=N1)C(=O)O)C=O Z3023980685 [0,0,0,0,0,0|4,0,0]=4 46 B12R1.56 NCC1=C(C=CC(=C1)C(=O)O)F Z1649893240 [0,0,0,0,0,0|3,0,0]=3 47 B12R1.56 NCC1=C(C=CC(=C1)[N+](=O)[O-])O Z56985679 [0,0,0,0,0,0|3,0,1]=4 48 B12R1.56 NNC1=C(C=CC(=C1)C(=O)O)Cl Z56951160 [0,0,0,0,0,0|3,0,0]=3 49 B12R1.56 O=C(O)C1=CC(=C(C=C1)O)CO Z1262519174 [0,0,0,0,0,0|2,0,0]=2 50 B12R1.56 O=CC1=C(C=CC(=C1)C(=O)O)Br Z1486034958 [0,0,0,0,0,0|3,0,0]=3 51 B12R1.56 O=CC1=C(C=CC(=C1)C(=O)O)Cl Z1649775095 [0,0,0,0,0,0|3,0,0]=3 52 B12R1.56 O=CC1=C(C=CC(=C1)C(=O)O)F Z1198168885 [0,0,0,0,0,0|3,0,0]=3 53 B12R1.56 O=CC1=C(C=CC(=C1)C(=O)O)O Z1255434815 [0,0,0,0,0,0|2,0,0]=2 54 B12R1.56 O=CC1=C(C=CC(=C1)[N+](=O)[O-])O Z57160172 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)C Z1269191523 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)Cl Z1269244993 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)F Z1269159079 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)N Z1269218710 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)C Z104477440 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)F Z513735432 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N Z1198175137 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)O Z1198169413 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Br Z1269168018 [1,0,0,0,0,0|3,0,0]=4 64 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl Z104475662 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F Z1201622912 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)N Z979493752 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br Z199532232 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)C Z606338894 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Cl Z335437578 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F Z56968900 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)N Z1198150660 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)O Z1201626572 [1,0,0,0,0,0|2,0,0]=3 73 B11R1.21 CC(=O)C1=CC(=C(C=C1)N)N Z1255447249 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.21 CC(=O)C1=CC(=C(C=C1)N)O Z1198158301 [1,0,0,0,0,0|2,0,0]=3 75 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Br Z1037557930 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)C Z57221419 [1,0,0,0,0,0|1,0,0]=2 77 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Cl Z57905816 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)F Z385458772 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)N Z1664347745 [1,0,0,0,0,0|2,0,0]=3 80 B11R1.21 CC(=O)C1=CC(=C(N=C1)Cl)C Z1255426822 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.21 CC(N)C1=CC(=C(C=C1)O)O Z4958589100 [1,0,0,0,0,0|2,0,1]=4 82 B11R1.21 CC1=C(C=C(C=C1)B(O)O)C Z336079990 [1,0,0,0,0,0|2,0,1]=4 83 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)Br Z57206544 [1,0,0,0,0,0|3,0,0]=4 84 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F Z116821650 [1,0,0,0,0,0|3,0,0]=4 85 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)N Z57912417 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)O Z323032498 [1,0,0,0,0,0|2,0,0]=3 87 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Br Z57204180 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C Z104477078 [1,0,0,0,0,0|1,0,0]=2 89 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Cl Z1097117588 [1,0,0,0,0,0|2,0,0]=3 90 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F Z104510124 [1,0,0,0,0,0|2,0,0]=3 91 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I Z239685220 [1,0,0,0,0,0|2,0,0]=3 92 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)N Z57127001 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O Z166652050 [1,0,0,0,0,0|1,0,0]=2 94 B11R1.21 CC1=C(C=C(C=C1)S(=O)[O-])C Z1455991568 [1,0,0,0,0,0|2,0,1]=4 95 B11R1.21 CC1=C(C=C(C=C1)[C@@H](C)O)C Z360055396 [1,0,0,0,0,0|2,0,1]=4 96 B11R1.21 CC1=C(C=C(C=C1)[C@H](C)O)C Z360055400 [1,0,0,0,0,0|2,0,1]=4 97 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])C Z104488476 [1,0,0,0,0,0|2,0,1]=4 98 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])O Z415740552 [1,0,0,0,0,0|2,0,1]=4 99 B11R1.21 CC1=C(C=C(C=N1)C(=O)O)N Z3409985569 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.21 CC1=C(C=C(N=C1)C(=O)O)C Z2894240161 [1,0,0,0,0,0|2,0,0]=3 101 B11R1.21 CC1=C(C=C(N=C1)C(=O)O)Cl Z1255439777 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.21 CC1=C(C=CC(=C1)B(O)O)Cl Z1201621853 [1,0,0,0,0,0|2,0,1]=4 103 B11R1.21 CC1=C(C=CC(=C1)B(O)O)F Z381541152 [1,0,0,0,0,0|2,0,1]=4 104 B11R1.21 CC1=C(C=CC(=C1)C(=N)N)Br Z2574917660 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.21 CC1=C(C=CC(=C1)C(=N)N)F Z317027402 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)I Z1118973913 [1,0,0,0,0,0|2,0,0]=3 107 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)N Z239125318 [1,0,0,0,0,0|2,0,0]=3 108 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br Z1269154857 [1,0,0,0,0,0|1,0,0]=2 109 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl Z1201618086 [1,0,0,0,0,0|1,0,0]=2 110 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F Z959335402 [1,0,0,0,0,0|1,0,0]=2 111 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)I Z239685242 [1,0,0,0,0,0|1,0,0]=2 112 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)N Z223458490 [1,0,0,0,0,0|1,0,0]=2 113 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O Z995149794 [1,0,0,0,0,0|0,0,0]=1 114 B11R1.21 CC1=C(C=CC(=C1)N(C)C)O Z4988450441 [1,0,0,0,0,0|3,0,0]=4 115 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])Cl Z385459404 [1,0,0,0,0,0|2,0,1]=4 116 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])N Z56926519 [1,0,0,0,0,0|2,0,1]=4 117 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])O Z415740536 [1,0,0,0,0,0|1,0,1]=3 118 B11R1.21 CC1=C(C=CC(=N1)C(=O)O)Br Z1269158838 [1,0,0,0,0,0|2,0,0]=3 119 B11R1.21 CC1=C(C=NC(=C1)C(=O)O)Cl Z1198173117 [1,0,0,0,0,0|2,0,0]=3 120 B11R1.21 CC1=C(C=NC(=C1)C(=O)O)N Z3397321417 [1,0,0,0,0,0|2,0,0]=3 121 B11R1.21 CC1=C(N=C(C=C1)C(=O)O)Br Z1269114393 [1,0,0,0,0,0|3,0,0]=4 122 B11R1.21 CC1=C(N=C(C=C1)C(=O)O)C Z1198307150 [1,0,0,0,0,0|2,0,0]=3 123 B11R1.21 CC1=C(N=C(C=C1)C(=O)O)Cl Z1255462780 [1,0,0,0,0,0|3,0,0]=4 124 B11R1.21 CC1=C(N=C(C=C1)C(=O)O)F Z1255430474 [1,0,0,0,0,0|3,0,0]=4 125 B11R1.21 CC1=C(N=C(C=C1)C(=O)O)O Z1255445643 [1,0,0,0,0,0|2,0,0]=3 126 B11R1.21 CC1=C(N=CC(=C1)B(O)O)O Z1222424805 [1,0,0,0,0,0|2,0,1]=4 127 B11R1.21 CC1=C(N=CC(=C1)C(=O)O)Br Z1269138133 [1,0,0,0,0,0|2,0,0]=3 128 B11R1.21 CC1=C(N=CC(=C1)C(=O)O)C Z3244908427 [1,0,0,0,0,0|2,0,0]=3 129 B11R1.21 CC1=C(N=CC(=C1)C(=O)O)Cl Z1255381945 [1,0,0,0,0,0|2,0,0]=3 130 B11R1.21 CC1=C(N=CC(=C1)C(=O)O)F Z1198174583 [1,0,0,0,0,0|2,0,0]=3 131 B11R1.21 CC1=C(N=CC(=C1)[N+](=O)[O-])O Z1442210025 [1,0,0,0,0,0|2,0,1]=4 132 B11R1.21 CC1=C(N=NC(=C1)C(=O)O)Cl Z1813351279 [1,0,0,0,0,0|3,0,0]=4 133 B11R1.21 CC1=CC(=NNC1=O)C(=O)O Z1255427102 [1,0,0,0,0,0|2,0,1]=4 134 B11R1.21 CC1=CNC(=CC1=O)C(=O)O Z1381260939 [1,0,0,0,0,0|2,0,1]=4 135 B11R1.21 CN1C=C(C=CC1=O)C(=O)O Z356294138 [1,0,0,0,0,0|1,0,1]=3 136 B11R1.21 CN1C=C(N=CC1=O)C(=O)O Z2798531070 [1,0,0,0,0,0|2,0,1]=4 137 B11R1.21 CN1C=CC(=CC1=O)C(=O)O Z299018636 [1,0,0,0,0,0|2,0,1]=4 138 B11R1.21 CN1N=C(C=CC1=O)C(=O)O Z56911968 [1,0,0,0,0,0|2,0,1]=4 139 B11R1.21 NC(=O)C1=CC(=C(C=C1)Br)F Z851822858 [1,0,0,0,0,0|3,0,0]=4 140 B11R1.21 NC(=O)C1=CC(=C(C=C1)Br)O Z1269119521 [1,0,0,0,0,0|2,0,0]=3 141 B11R1.21 NC(=O)C1=CC(=C(C=C1)Cl)N Z239125304 [1,0,0,0,0,0|3,0,0]=4 142 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)F Z82670082 [1,0,0,0,0,0|3,0,0]=4 143 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N Z316119774 [1,0,0,0,0,0|3,0,0]=4 144 B11R1.21 NC(=O)C1=CC(=C(C=C1)I)Br Z394874930 [1,0,0,0,0,0|3,0,0]=4 145 B11R1.21 NC(=O)C1=CC(=C(C=C1)I)F Z1127744306 [1,0,0,0,0,0|3,0,0]=4 146 B11R1.21 NC(=O)C1=CC(=C(C=C1)N)Br Z317054104 [1,0,0,0,0,0|3,0,0]=4 147 B11R1.21 NC(=O)C1=CC(=C(C=C1)N)F Z995047024 [1,0,0,0,0,0|3,0,0]=4 148 B11R1.21 NC(=O)C1=CC(=C(C=C1)N)N Z424798268 [1,0,0,0,0,0|3,0,0]=4 149 B11R1.21 NC(=O)C1=CC(=C(C=C1)N)O Z1126161217 [1,0,0,0,0,0|2,0,0]=3 150 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)Cl Z68591301 [1,0,0,0,0,0|2,0,0]=3 151 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)F Z1255448698 [1,0,0,0,0,0|2,0,0]=3 152 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)O Z1198152898 [1,0,0,0,0,0|1,0,0]=2 153 B11R1.21 NC1=C(C=C(C=C1)C(=O)O)Br Z319214986 [1,0,0,0,0,0|2,0,0]=3 154 B11R1.21 NC1=C(C=C(C=C1)C(=O)O)Cl Z1082868852 [1,0,0,0,0,0|2,0,0]=3 155 B11R1.21 NC1=C(C=C(C=C1)C(=O)O)F Z756936498 [1,0,0,0,0,0|2,0,0]=3 156 B11R1.21 NC1=C(C=C(C=C1)C(=O)O)N Z104484514 [1,0,0,0,0,0|2,0,0]=3 157 B11R1.21 NC1=C(C=C(C=C1)C(=O)O)O Z431554234 [1,0,0,0,0,0|1,0,0]=2 158 B11R1.21 NC1=C(C=C(C=N1)C(=O)O)Br Z1269112095 [1,0,0,0,0,0|3,0,0]=4 159 B11R1.21 NC1=C(C=C(C=N1)C(=O)O)Cl Z330799286 [1,0,0,0,0,0|3,0,0]=4 160 B11R1.21 NC1=C(C=C(C=N1)C(=O)O)O Z3325079213 [1,0,0,0,0,0|2,0,0]=3 161 B11R1.21 NC1=C(C=CC(=C1)C(=O)O)Br Z57127000 [1,0,0,0,0,0|2,0,0]=3 162 B11R1.21 NC1=C(C=CC(=C1)C(=O)O)Cl Z104478358 [1,0,0,0,0,0|2,0,0]=3 163 B11R1.21 NC1=C(C=CC(=C1)C(=O)O)F Z283856672 [1,0,0,0,0,0|2,0,0]=3 164 B11R1.21 NC1=C(C=CC(=C1)C(=O)O)I Z1079174176 [1,0,0,0,0,0|2,0,0]=3 165 B11R1.21 NC1=C(C=CC(=C1)[N+](=O)[O-])O Z56346992 [1,0,0,0,0,0|2,0,1]=4 166 B11R1.21 NC1=C(C=CC(=N1)C(=O)O)Br Z1269123358 [1,0,0,0,0,0|3,0,0]=4 167 B11R1.21 NC1=C(C=CC(=N1)C(=O)O)O Z1198313022 [1,0,0,0,0,0|2,0,0]=3 168 B11R1.21 NC1=C(C=NC(=C1)C(=O)O)Cl Z3379551784 [1,0,0,0,0,0|3,0,0]=4 169 B11R1.21 NC1=C(C=NC(=C1)C(=O)O)F Z3476924546 [1,0,0,0,0,0|3,0,0]=4 170 B11R1.21 NC1=C(N=C(C=C1)C(=O)O)N Z1198311451 [1,0,0,0,0,0|3,0,0]=4 171 B11R1.21 O=C(O)C1=CC(=C(C=C1)Br)Cl Z1269111039 [1,0,0,0,0,0|2,0,0]=3 172 B11R1.21 O=C(O)C1=CC(=C(C=C1)Br)F Z756477072 [1,0,0,0,0,0|2,0,0]=3 173 B11R1.21 O=C(O)C1=CC(=C(C=C1)Br)O Z1269234103 [1,0,0,0,0,0|1,0,0]=2 174 B11R1.21 O=C(O)C1=CC(=C(C=C1)Cl)Br Z1269180540 [1,0,0,0,0,0|2,0,0]=3 175 B11R1.21 O=C(O)C1=CC(=C(C=C1)Cl)Cl Z104474098 [1,0,0,0,0,0|2,0,0]=3 176 B11R1.21 O=C(O)C1=CC(=C(C=C1)Cl)F Z636292752 [1,0,0,0,0,0|2,0,0]=3 177 B11R1.21 O=C(O)C1=CC(=C(C=C1)Cl)I Z239685218 [1,0,0,0,0,0|2,0,0]=3 178 B11R1.21 O=C(O)C1=CC(=C(C=C1)Cl)O Z1201619372 [1,0,0,0,0,0|1,0,0]=2 179 B11R1.21 O=C(O)C1=CC(=C(C=C1)F)Br Z381356490 [1,0,0,0,0,0|2,0,0]=3 180 B11R1.21 O=C(O)C1=CC(=C(C=C1)F)Cl Z1203161796 [1,0,0,0,0,0|2,0,0]=3 181 B11R1.21 O=C(O)C1=CC(=C(C=C1)F)F Z104341246 [1,0,0,0,0,0|2,0,0]=3 182 B11R1.21 O=C(O)C1=CC(=C(C=C1)F)I Z1269207858 [1,0,0,0,0,0|2,0,0]=3 183 B11R1.21 O=C(O)C1=CC(=C(C=C1)F)O Z1203161962 [1,0,0,0,0,0|1,0,0]=2 184 B11R1.21 O=C(O)C1=CC(=C(C=C1)I)Br Z382582728 [1,0,0,0,0,0|2,0,0]=3 185 B11R1.21 O=C(O)C1=CC(=C(C=C1)I)Cl Z1269153522 [1,0,0,0,0,0|2,0,0]=3 186 B11R1.21 O=C(O)C1=CC(=C(C=C1)I)F Z1115194701 [1,0,0,0,0,0|2,0,0]=3 187 B11R1.21 O=C(O)C1=CC(=C(C=C1)I)I Z1269131507 [1,0,0,0,0,0|2,0,0]=3 188 B11R1.21 O=C(O)C1=CC(=C(C=C1)I)O Z1269202149 [1,0,0,0,0,0|1,0,0]=2 189 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)Br Z57985393 [1,0,0,0,0,0|1,0,0]=2 190 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)Cl Z104503564 [1,0,0,0,0,0|1,0,0]=2 191 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)F Z57073754 [1,0,0,0,0,0|1,0,0]=2 192 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)O Z104501142 [1,0,0,0,0,0|0,0,0]=1 193 B11R1.21 O=C(O)C1=CC(=C(C=C1)S)Br Z1269190145 [1,0,0,0,0,0|1,1,0]=3 194 B11R1.21 O=C(O)C1=CC(=C(N=C1)Br)Br Z1269238021 [1,0,0,0,0,0|3,0,0]=4 195 B11R1.21 O=C(O)C1=CC(=C(N=C1)Br)Cl Z1269230032 [1,0,0,0,0,0|3,0,0]=4 196 B11R1.21 O=C(O)C1=CC(=C(N=C1)Br)O Z1269173146 [1,0,0,0,0,0|2,0,0]=3 197 B11R1.21 O=C(O)C1=CC(=C(N=C1)Cl)Br Z1269156435 [1,0,0,0,0,0|3,0,0]=4 198 B11R1.21 O=C(O)C1=CC(=C(N=C1)Cl)Cl Z104477552 [1,0,0,0,0,0|3,0,0]=4 199 B11R1.21 O=C(O)C1=CC(=C(N=C1)Cl)F Z1198320200 [1,0,0,0,0,0|3,0,0]=4 200 B11R1.21 O=C(O)C1=CC(=C(N=C1)F)Br Z1269243604 [1,0,0,0,0,0|3,0,0]=4 201 B11R1.21 O=C(O)C1=CC(=C(N=C1)F)Cl Z1198162771 [1,0,0,0,0,0|3,0,0]=4 202 B11R1.21 O=C(O)C1=CC(=C(N=C1)F)F Z1198183193 [1,0,0,0,0,0|3,0,0]=4 203 B11R1.21 O=C(O)C1=CC(=C(N=C1)I)O Z1269115116 [1,0,0,0,0,0|2,0,0]=3 204 B11R1.21 O=C(O)C1=CC(=C(N=C1)O)F Z1255436475 [1,0,0,0,0,0|2,0,0]=3 205 B11R1.21 O=C(O)C1=CC(=O)N(C=C1)O Z3244880399 [1,0,0,0,0,0|1,0,1]=3 206 B11R1.21 O=C(O)C1=CC=C(C(=O)O1)O Z1262515745 [1,0,0,0,0,0|1,0,1]=3 207 B11R1.21 O=C(O)C1=CN(C(=O)C=C1)O Z1255463617 [1,0,0,0,0,0|1,0,1]=3 208 B11R1.21 O=C(O)C1=CNC(=O)C(=C1)Br Z1259335940 [1,0,0,0,0,0|2,0,1]=4 209 B11R1.21 O=C(O)C1=CNC(=O)C(=C1)Cl Z752370728 [1,0,0,0,0,0|2,0,1]=4 210 B11R1.21 O=C(O)C1=NC(=C(C=C1)Br)Cl Z1269141215 [1,0,0,0,0,0|3,0,0]=4 211 B11R1.21 O=C(O)C1=NC(=C(C=C1)Br)F Z1269234071 [1,0,0,0,0,0|3,0,0]=4 212 B11R1.21 O=C(O)C1=NC(=C(C=C1)Br)O Z1269135378 [1,0,0,0,0,0|2,0,0]=3 213 B11R1.21 O=C(O)C1=NC(=C(C=C1)Cl)F Z1198183192 [1,0,0,0,0,0|3,0,0]=4 214 B11R1.21 O=C(O)C1=NC(=C(C=C1)F)Br Z1269231554 [1,0,0,0,0,0|3,0,0]=4 215 B11R1.21 O=C(O)C1=NC(=C(C=C1)F)Cl Z1250208606 [1,0,0,0,0,0|3,0,0]=4 216 B11R1.21 O=C(O)C1=NC=C(C(=C1)O)Br Z1269108466 [1,0,0,0,0,0|2,0,0]=3 217 B11R1.21 O=[N+]([O-])C1=CC(=C(C=C1)Cl)O Z57160128 [1,0,0,0,0,0|2,0,1]=4 218 B11R1.21 O=[N+]([O-])C1=CC(=C(C=C1)O)Br Z442212768 [1,0,0,0,0,0|2,0,1]=4 219 B11R1.21 O=[N+]([O-])C1=CC(=C(C=C1)O)Cl Z99601186 [1,0,0,0,0,0|2,0,1]=4 220 B11R1.21 O=[N+]([O-])C1=CC(=C(C=C1)O)F Z382708858 [1,0,0,0,0,0|2,0,1]=4 221 B11R1.21 O=[N+]([O-])C1=CC(=C(C=C1)O)O Z1255450010 [1,0,0,0,0,0|1,0,1]=3 222 B11R1.266 C#CC1=CC=CC(=C1)C(=O)N Z1203640293 [1,0,0,0,0,0|2,0,1]=4 223 B11R1.266 C#CC1=CC=CC(=C1)C(=O)O Z1198169474 [1,0,0,0,0,0|1,0,1]=3 224 B11R1.266 C#CC1=CN=CC(=C1)C(=O)O Z1205656977 [1,0,0,0,0,0|2,0,1]=4 225 B11R1.266 CC(=O)C1=CC(=CC=C1)C#N Z381541056 [1,0,0,0,0,0|3,0,0]=4 226 B11R1.266 CC(=O)C1=CC(=CC=C1)CN Z2182115422 [1,0,0,0,0,0|3,0,0]=4 227 B11R1.266 CC(=O)C1=CC(=CC=C1)CO Z1255384632 [1,0,0,0,0,0|3,0,0]=4 228 B11R1.266 CCC1=CC(=CC=C1)B(O)O Z381540870 [1,0,0,0,0,0|2,0,1]=4 229 B11R1.266 CCC1=CC(=CN=C1)C(=O)O Z1198306513 [1,0,0,0,0,0|2,0,0]=3 230 B11R1.266 CCC1=CC(=NC=C1)C(=O)O Z1198155041 [1,0,0,0,0,0|2,0,0]=3 231 B11R1.266 CCC1=NC(=CC=C1)C(=O)O Z1741980295 [1,0,0,0,0,0|2,0,0]=3 232 B11R1.266 CCC1=NC=CC(=C1)C(=O)O Z5485733526 [1,0,0,0,0,0|2,0,0]=3 233 B11R1.266 CNC1=CC(=CC=C1)C(=O)N Z3714846457 [1,0,0,0,0,0|2,0,0]=3 234 B11R1.266 CNC1=CC(=CC=C1)[N+](=O)[O-] Z425390850 [1,0,0,0,0,0|2,0,1]=4 235 B11R1.266 CNC1=CC(=CN=C1)C(=O)O Z1198165175 [1,0,0,0,0,0|2,0,0]=3 236 B11R1.266 CNC1=NC=CC(=C1)C(=O)O Z285782460 [1,0,0,0,0,0|2,0,0]=3 237 B11R1.266 COC1=CC(=CC=C1)B(O)O Z381513356 [1,0,0,0,0,0|1,0,1]=3 238 B11R1.266 COC1=CC(=CC=C1)C(=N)N Z1263714060 [1,0,0,0,0,0|2,0,0]=3 239 B11R1.266 COC1=CC(=CC=C1)C(=O)C Z54179675 [1,0,0,0,0,0|1,0,0]=2 240 B11R1.266 COC1=CC(=CC=C1)C(=O)O Z57127526 [1,0,0,0,0,0|0,0,0]=1 241 B11R1.266 COC1=CC(=CC=C1)C(=S)N Z56950570 [1,0,0,0,0,0|1,1,0]=3 242 B11R1.266 COC1=CC(=CC=C1)C(C)O Z228586154 [1,0,0,0,0,0|1,0,1]=3 243 B11R1.266 COC1=CC(=CC=C1)[C@@H](C)O Z360055364 [1,0,0,0,0,0|1,0,1]=3 244 B11R1.266 COC1=CC(=CC=C1)[C@H](C)O Z360055368 [1,0,0,0,0,0|1,0,1]=3 245 B11R1.266 COC1=CC(=CN=C1)C(=O)C Z3446459961 [1,0,0,0,0,0|2,0,0]=3 246 B11R1.266 COC1=CC(=CN=C1)C(=O)O Z1160905076 [1,0,0,0,0,0|1,0,0]=2 247 B11R1.266 COC1=CC(=NC=C1)C(=N)N Z2760930341 [1,0,0,0,0,0|3,0,0]=4 248 B11R1.266 COC1=CC(=NC=C1)C(=O)N Z1201620706 [1,0,0,0,0,0|2,0,0]=3 249 B11R1.266 COC1=CC(=NC=C1)C(=O)O Z381411824 [1,0,0,0,0,0|1,0,0]=2 250 B11R1.266 COC1=CC(=NN=C1)C(=O)O Z3242712401 [1,0,0,0,0,0|2,0,0]=3 251 B11R1.266 COC1=NC(=CC=C1)C(=N)N Z3234813118 [1,0,0,0,0,0|3,0,0]=4 252 B11R1.266 COC1=NC(=CC=C1)C(=O)O Z969095262 [1,0,0,0,0,0|1,0,0]=2 253 B11R1.266 COC1=NC(=CC=C1)C(C)O Z1216820543 [1,0,0,0,0,0|2,0,1]=4 254 B11R1.266 COC1=NC(=CC=N1)C(=O)O Z1255500631 [1,0,0,0,0,0|2,0,0]=3 255 B11R1.266 COC1=NC(=CN=C1)C(=O)O Z1198152489 [1,0,0,0,0,0|2,0,0]=3 256 B11R1.266 COC1=NC=CC(=C1)B(O)O Z1201624064 [1,0,0,0,0,0|2,0,1]=4 257 B11R1.266 COC1=NC=CC(=C1)C(=N)N Z4920055179 [1,0,0,0,0,0|3,0,0]=4 258 B11R1.266 COC1=NC=CC(=C1)C(=O)C Z1198277852 [1,0,0,0,0,0|2,0,0]=3 259 B11R1.266 COC1=NC=CC(=C1)C(=O)O Z227823722 [1,0,0,0,0,0|1,0,0]=2 260 B11R1.266 COC1=NC=CC(=C1)C(=S)N Z255149988 [1,0,0,0,0,0|2,1,0]=4 261 B11R1.266 COC1=NC=NC(=C1)C(=O)O Z1198153986 [1,0,0,0,0,0|2,0,0]=3 262 B11R1.266 CSC1=CC(=CC=C1)B(O)O Z381540936 [1,0,0,0,0,0|1,1,1]=4 263 B11R1.266 CSC1=CC(=CC=C1)C(=O)O Z1201631828 [1,0,0,0,0,0|0,1,0]=2 264 B11R1.266 CSC1=CC(=CN=C1)C(=O)O Z1198158905 [1,0,0,0,0,0|1,1,0]=3 265 B11R1.266 CSC1=NC(=CC=C1)C(=O)O Z24821871 [1,0,0,0,0,0|1,1,0]=3 266 B11R1.266 CSC1=NC(=CC=N1)C(=O)O Z1198233185 [1,0,0,0,0,0|2,1,0]=4 267 B11R1.266 CSC1=NC(=CN=C1)C(=O)O Z1278639333 [1,0,0,0,0,0|2,1,0]=4 268 B11R1.266 CSC1=NC(=NC=C1)C(=O)O Z1255401962 [1,0,0,0,0,0|2,1,0]=4 269 B11R1.266 CSC1=NC=CC(=C1)C(=O)O Z732206876 [1,0,0,0,0,0|1,1,0]=3 270 B11R1.266 CSC1=NC=NC(=C1)C(=O)O Z1255487883 [1,0,0,0,0,0|2,1,0]=4 271 B11R1.266 N#CC1=CC(=NC=C1)C(=O)O Z1198184865 [1,0,0,0,0,0|3,0,0]=4 272 B11R1.266 N#CC1=CC=CC(=C1)C(=O)N Z33547157 [1,0,0,0,0,0|3,0,0]=4 273 B11R1.266 N#CC1=CC=CC(=C1)C(=O)O Z56921155 [1,0,0,0,0,0|2,0,0]=3 274 B11R1.266 N#CC1=CC=CC(=N1)C(=O)O Z1170309368 [1,0,0,0,0,0|3,0,0]=4 275 B11R1.266 N#CC1=NC=CC(=C1)C(=O)O Z1198162090 [1,0,0,0,0,0|3,0,0]=4 276 B11R1.266 NC(=O)C1=CC(=CC=C1)C=O Z1065725946 [1,0,0,0,0,0|3,0,0]=4 277 B11R1.266 NC(=O)C1=CC(=CC=C1)CCl Z363967382 [1,0,0,0,0,0|3,0,0]=4 278 B11R1.266 NC(=O)C1=CC(=CC=C1)CO Z431951860 [1,0,0,0,0,0|3,0,0]=4 279 B11R1.266 NCC1=CC(=CC=C1)C(=O)O Z1262691668 [1,0,0,0,0,0|2,0,0]=3 280 B11R1.266 NCC1=CC(=NC=C1)C(=O)O Z3814744753 [1,0,0,0,0,0|3,0,0]=4 281 B11R1.266 NCC1=NC=CC(=C1)C(=O)O Z2685925257 [1,0,0,0,0,0|3,0,0]=4 282 B11R1.266 NNC1=CC(=CC=C1)C(=O)O Z815264094 [1,0,0,0,0,0|2,0,0]=3 283 B11R1.266 O=C(O)C1=CC(=CC=C1)CBr Z57980664 [1,0,0,0,0,0|2,0,0]=3 284 B11R1.266 O=C(O)C1=CC(=CC=C1)CCl Z57834460 [1,0,0,0,0,0|2,0,0]=3 285 B11R1.266 O=C(O)C1=CC(=CC=C1)CS Z228024598 [1,0,0,0,0,0|2,0,0]=3 286 B11R1.266 O=C(O)C1=CC(=NC=C1)CO Z2856164825 [1,0,0,0,0,0|3,0,0]=4 287 B11R1.266 O=C(O)C1=CC=CC(=C1)CO Z385458084 [1,0,0,0,0,0|2,0,0]=3 288 B11R1.266 O=C(O)C1=CN=CC(=C1)CO Z4748876044 [1,0,0,0,0,0|3,0,0]=4 289 B11R1.266 O=CC1=CC(=NC=C1)C(=O)O Z4202384577 [1,0,0,0,0,0|3,0,0]=4 290 B11R1.266 O=CC1=CC=CC(=C1)C(=O)O Z1065768480 [1,0,0,0,0,0|2,0,0]=3 291 B11R1.266 O=CC1=CC=CC(=N1)C(=O)O Z1198307200 [1,0,0,0,0,0|3,0,0]=4 292 B11R1.266 O=CC1=CN=CC(=C1)C(=O)O Z2902338030 [1,0,0,0,0,0|3,0,0]=4 293 B11R1.280 C#CC1=CC(=C(C=C1)Cl)OC Z1341622595 [1,0,0,0,0,0|2,0,1]=4 294 B11R1.280 CC1=C(C=C(C=C1)C=O)C#N Z1201626331 [1,0,0,0,0,0|3,0,0]=4 295 B11R1.280 CCC1=C(C=CC(=C1)C#N)O Z1255358806 [1,0,0,0,0,0|2,0,1]=4 296 B11R1.280 CCC1=C(C=CC(=C1)C=O)F Z1255357885 [1,0,0,0,0,0|2,0,0]=3 297 B11R1.280 CCC1=CC(=C(C=C1)O)OC Z57234301 [1,0,0,0,0,0|1,0,1]=3 298 B11R1.280 CNC1=CC(=C(C=C1)C)OC Z5981152945 [1,0,0,0,0,0|3,0,0]=4 299 B11R1.280 COC1=C(C=CC(=C1)C#N)C Z1079179078 [1,0,0,0,0,0|2,0,1]=4 300 B11R1.280 COC1=C(C=CC(=C1)C#N)I Z1269177439 [1,0,0,0,0,0|2,0,1]=4 301 B11R1.280 COC1=C(C=CC(=C1)C#N)N Z1201627144 [1,0,0,0,0,0|2,0,1]=4 302 B11R1.280 COC1=C(C=CC(=C1)C#N)O Z56963393 [1,0,0,0,0,0|1,0,1]=3 303 B11R1.280 COC1=C(C=CC(=C1)C=O)C Z1079442616 [1,0,0,0,0,0|1,0,0]=2 304 B11R1.280 COC1=C(C=CC(=C1)C=O)Cl Z1198175109 [1,0,0,0,0,0|1,0,0]=2 305 B11R1.280 COC1=C(C=CC(=C1)C=O)F Z1203161973 [1,0,0,0,0,0|1,0,0]=2 306 B11R1.280 COC1=C(C=CC(=C1)C=O)O Z57772449 [1,0,0,0,0,0|0,0,0]=1 307 B11R1.280 COC1=C(C=CC(=C1)C=O)S Z835750876 [1,0,0,0,0,0|0,1,0]=2 308 B11R1.280 COC1=C(C=CC(=C1)CN)C Z812517018 [1,0,0,0,0,0|2,0,1]=4 309 B11R1.280 COC1=C(C=CC(=C1)CN)F Z3235016255 [1,0,0,0,0,0|2,0,1]=4 310 B11R1.280 COC1=C(C=CC(=C1)CN)N Z3223855819 [1,0,0,0,0,0|2,0,1]=4 311 B11R1.280 COC1=C(C=CC(=C1)CN)O Z381785798 [1,0,0,0,0,0|1,0,1]=3 312 B11R1.280 COC1=C(C=CC(=C1)CO)C Z397587200 [1,0,0,0,0,0|1,0,1]=3 313 B11R1.280 COC1=C(C=CC(=C1)CO)Cl Z1255366940 [1,0,0,0,0,0|1,0,1]=3 314 B11R1.280 COC1=C(C=CC(=C1)CO)F Z1201620066 [1,0,0,0,0,0|1,0,1]=3 315 B11R1.280 COC1=C(C=CC(=C1)CO)O Z56347244 [1,0,0,0,0,0|0,0,1]=2 316 B11R1.280 COC1=C(C=CC(=C1)SC)N Z1147225829 [1,0,0,0,0,0|3,0,0]=4 317 B11R1.280 COC1=C(C=CC(=N1)C=O)C Z1198311272 [1,0,0,0,0,0|2,0,0]=3 318 B11R1.280 COC1=C(C=NC(=C1)C=O)C Z1255441804 [1,0,0,0,0,0|2,0,0]=3 319 B11R1.280 COC1=C(N=CC(=C1)C=O)C Z1255504574 [1,0,0,0,0,0|2,0,0]=3 320 B11R1.280 COC1=CC(=C(C=C1)Br)OC Z299596224 [1,0,0,0,0,0|3,0,0]=4 321 B11R1.280 COC1=CC(=C(C=C1)N)OC Z104478344 [1,0,0,0,0,0|3,0,0]=4 322 B11R1.280 CSC1=C(C=CC(=C1)C=O)O Z1255433772 [1,0,0,0,0,0|0,1,0]=2 323 B11R1.280 N#CC1=C(C=CC(=C1)C=O)Cl Z1255359596 [1,0,0,0,0,0|3,0,0]=4 324 B11R1.280 N#CC1=C(C=CC(=C1)C=O)F Z1255488904 [1,0,0,0,0,0|3,0,0]=4 325 B11R1.280 O=CC1=C(C=CC(=C1)CO)O Z1198153315 [1,0,0,0,0,0|2,0,1]=4 326 B11R1.280 O=CC1=CC(=C(C=C1)O)CO Z1198723368 [1,0,0,0,0,0|2,0,0]=3 327 B11R1.280 OCC1=CC(=C(C=C1)O)CO Z1198151167 [1,0,0,0,0,0|2,0,1]=4 328 B13R1.13 CC(=O)C1=C(C=CC(=C1)C(=O)O)C Z1551959921 [0,1,0,0,0,0|2,0,0]=3 329 B13R1.13 CC(=O)C1=C(C=CC(=C1)C(=O)O)O Z316120698 [0,1,0,0,0,0|1,0,0]=2 330 B13R1.13 CC(=O)C1=C(N=CC(=C1)C(=O)O)C Z4443117191 [0,1,0,0,0,0|3,0,0]=4 331 B13R1.13 CC(=O)C1=CC(=C(C=C1)O)C(=O)C Z1263715077 [0,1,0,0,0,0|2,0,0]=3 332 B13R1.13 CC(C)C1=C(C=CC(=C1)B(O)O)O Z1504681722 [0,1,0,0,0,0|2,0,1]=4 333 B13R1.13 CC(C)C1=C(C=CC(=C1)C(=O)O)O Z1255501223 [0,1,0,0,0,0|1,0,0]=2 334 B13R1.13 CC(C)N1C=C(C=CC1=O)C(=O)O Z854062484 [0,1,0,0,0,0|2,0,1]=4 335 B13R1.13 CC1=C(C=C(C=C1)C(=O)O)C(=O)O Z1198235663 [0,1,0,0,0,0|3,0,0]=4 336 B13R1.13 CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] Z57127401 [0,1,0,0,0,0|3,0,0]=4 337 B13R1.13 NC(=O)C1=C(C=CC(=C1)C(=O)O)O Z1255381713 [0,1,0,0,0,0|2,0,0]=3 338 B13R1.13 NC1=C(C=C(C=C1)C(=O)O)C(=O)O Z1198150607 [0,1,0,0,0,0|3,0,0]=4 339 B13R1.13 NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] Z56886382 [0,1,0,0,0,0|3,0,0]=4 340 B13R1.13 O=C(O)C1=CC(=C(C=C1)Br)[N+](=O)[O-] Z55993015 [0,1,0,0,0,0|3,0,0]=4 341 B13R1.13 O=C(O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] Z104472896 [0,1,0,0,0,0|3,0,0]=4 342 B13R1.13 O=C(O)C1=CC(=C(C=C1)F)C(=O)O Z1198167253 [0,1,0,0,0,0|3,0,0]=4 343 B13R1.13 O=C(O)C1=CC(=C(C=C1)F)[N+](=O)[O-] Z89284934 [0,1,0,0,0,0|3,0,0]=4 344 B13R1.13 O=C(O)C1=CC(=C(C=C1)I)[N+](=O)[O-] Z424800200 [0,1,0,0,0,0|3,0,0]=4 345 B13R1.13 O=C(O)C1=CC(=C(C=C1)O)C(=O)O Z104503646 [0,1,0,0,0,0|2,0,0]=3 346 B13R1.13 O=C(O)C1=CC(=C(C=C1)O)[N+](=O)[O-] Z385458396 [0,1,0,0,0,0|2,0,0]=3 347 B13R1.49 CCC1=C(C=CC(=C1)C(=O)OC)N Z1262687926 [0,1,0,0,0,0|2,0,0]=3 348 B13R1.49 CNC(=O)C1=CC(=C(C=C1)C)OC Z135505592 [0,1,0,0,0,0|2,0,0]=3 349 B13R1.49 CNC(=O)C1=CC(=C(C=C1)F)SC Z1556061081 [0,1,0,0,0,0|2,1,0]=4 350 B13R1.49 CNC(=O)C1=CC(=C(C=C1)N)OC Z1126164960 [0,1,0,0,0,0|2,0,0]=3 351 B13R1.49 CNC(=O)C1=CC(=C(C=C1)O)C=O Z1255385731 [0,1,0,0,0,0|3,0,0]=4 352 B13R1.49 CNC1=C(C=CC(=C1)C(=O)OC)N Z1255498224 [0,1,0,0,0,0|2,0,0]=3 353 B13R1.49 CNC1=C(C=CC(=N1)C(=O)OC)N Z1649778204 [0,1,0,0,0,0|3,0,0]=4 354 B13R1.49 COC(=O)C1=CC(=C(C=C1)Br)C=O Z1262250142 [0,1,0,0,0,0|3,0,0]=4 355 B13R1.49 COC(=O)C1=CC(=C(C=C1)C)CN Z3548743837 [0,1,0,0,0,0|3,0,0]=4 356 B13R1.49 COC(=O)C1=CC(=C(C=C1)C)CO Z1681354703 [0,1,0,0,0,0|3,0,0]=4 357 B13R1.49 COC(=O)C1=CC(=C(C=C1)Cl)C=O Z1255374743 [0,1,0,0,0,0|3,0,0]=4 358 B13R1.49 COC(=O)C1=CC(=C(C=C1)F)CN Z1642389641 [0,1,0,0,0,0|3,0,0]=4 359 B13R1.49 COC(=O)C1=CC(=C(C=C1)N)C#N Z1255401218 [0,1,0,0,0,0|3,0,0]=4 360 B13R1.49 COC(=O)C1=CC(=C(C=C1)O)C=O Z1020694370 [0,1,0,0,0,0|2,0,0]=3 361 B13R1.49 COC(=O)C1=CC(=C(C=C1)O)OC Z104500600 [0,1,0,0,0,0|0,0,0]=1 362 B13R1.49 COC(=O)C1=CC(=C(N=C1)C)OC Z1222424952 [0,1,0,0,0,0|2,0,0]=3 363 B13R1.49 COC(=O)C1=NC(=C(N=C1)N)OC Z3718279738 [0,1,0,0,0,0|3,0,0]=4 364 B13R1.49 COC1=C(C=CC(=C1)C(=O)CN)O Z4654934301 [0,1,0,0,0,0|1,0,0]=2 365 B13R1.49 COC1=C(C=CC(=C1)C(O)CN)O Z2574937385 [0,1,0,0,0,0|1,0,1]=3 366 B13R1.50 COC1=C(C=CC(=C1)C(C)(C)C)O Z1255435164 [0,1,0,0,0,0|2,0,1]=4 367 B13R1.50 COC1=C(C=CC(=C1)S(=O)(=O)C)N Z1147220045 [0,1,0,0,0,0|2,0,1]=4 368 B13R1.50 COC1=C(C=CC(=C1)S(=O)(=O)Cl)F Z1203133412 [0,1,0,0,0,0|2,0,1]=4 369 B13R1.50 COC1=C(C=CC(=C1)S(=O)(=O)F)O Z1513827302 [0,1,0,0,0,0|1,0,1]=3 370 B13R1.50 COC1=C(C=CC(=C1)S(=O)(=O)N)Br Z992054218 [0,1,0,0,0,0|2,0,1]=4 371 B13R1.50 COC1=C(C=CC(=C1)S(=O)(=O)N)Cl Z969575870 [0,1,0,0,0,0|2,0,1]=4 372 B13R1.50 COC1=C(C=CC(=C1)S(=O)(=O)N)N Z1269205697 [0,1,0,0,0,0|2,0,1]=4 373 B13R1.50 COC1=C(C=CC(=C1)S(=O)(=O)N)O Z1269225101 [0,1,0,0,0,0|1,0,1]=3 374 B13R1.298 CC1=C(C(=CC(=C1)C(=O)O)C=O)O Z1262518956 [0,1,0,0,0,0|2,0,0]=3 375 B13R1.298 CCC1=CC(=CN(C1=O)C)C(=O)O Z1262543792 [0,1,0,0,0,0|2,0,1]=4 376 B13R1.298 COC1=C(C(=CC(=C1)C(=O)O)Cl)O Z104442658 [0,1,0,0,0,0|0,0,0]=1 377 B13R1.298 COC1=C(C(=CC(=C1)C(=O)O)F)F Z1198165262 [0,1,0,0,0,0|1,0,0]=2 378 B13R1.298 COC1=C(C(=CC(=C1)C(=O)O)N)Cl Z3001657507 [0,1,0,0,0,0|1,0,0]=2 379 B13R1.298 COC1=C(C(=CC(=C1)C(=O)O)N)N Z3018407415 [0,1,0,0,0,0|1,0,0]=2 380 B13R1.298 COC1=C(C(=CC(=C1)C(=O)O)N)O Z3003010810 [0,1,0,0,0,0|0,0,0]=1 381 B13R1.298 O=CC1=C(C(=CC(=C1)C(=O)O)Br)O Z3025866972 [0,1,0,0,0,0|2,0,0]=3 382 B13R1.354 CC(=O)C1=CC(=C(C=C1)O)CCCl Z1270334070 [0,1,0,0,0,0|2,0,0]=3 383 B13R1.354 CCCC1=C(C=CC(=C1)C(=O)O)Cl Z1262534442 [0,1,0,0,0,0|2,0,0]=3 384 B13R1.354 CCOC1=C(C=CC(=C1)B(O)O)F Z1201625085 [0,1,0,0,0,0|2,0,1]=4 385 B13R1.354 CCOC1=C(C=CC(=C1)C(=O)O)C Z197301834 [0,1,0,0,0,0|1,0,0]=2 386 B13R1.354 COCC1=C(C=CC(=C1)B(O)O)Cl Z1618121774 [0,1,0,0,0,0|2,0,1]=4 387 B13R1.354 COCC1=C(C=CC(=C1)[N+](=O)[O-])Cl Z394692678 [0,1,0,0,0,0|2,0,1]=4 388 B13R1.354 COCC1=C(C=CC(=C1)[N+](=O)[O-])N Z960434492 [0,1,0,0,0,0|2,0,1]=4 389 B13R1.354 CSCC1=C(C=CC(=C1)C(=O)N)F Z1319052478 [0,1,0,0,0,0|2,1,0]=4 390 B13R1.354 CSCC1=C(C=CC(=C1)C(=O)O)F Z1080732112 [0,1,0,0,0,0|1,1,0]=3 391 B13R1.651 CC1=CC(=C(C=C1C(=O)O)C=O)C Z1262537489 [0,1,0,0,0,0|3,0,0]=4 392 B13R1.651 CNC1=C(C=C(C(=C1)C(=O)N)Cl)Cl Z2034678675 [0,1,0,0,0,0|3,0,0]=4 393 B13R1.651 COC1=C(C=C(C(=C1)B(O)O)F)Cl Z1269149450 [0,1,0,0,0,0|2,0,1]=4 394 B13R1.651 COC1=C(C=C(C(=C1)C(=O)C)F)F Z2311004808 [0,1,0,0,0,0|2,0,0]=3 395 B13R1.651 COC1=C(C=C(C(=C1)C(=O)C)F)O Z1255399946 [0,1,0,0,0,0|1,0,0]=2 396 B13R1.651 COC1=C(C=C(C(=C1)C(=O)C)O)O Z1416187799 [0,1,0,0,0,0|1,0,0]=2 397 B13R1.651 COC1=C(C=C(C(=C1)C(=O)O)Br)C Z1486016129 [0,1,0,0,0,0|1,0,0]=2 398 B13R1.651 COC1=C(C=C(C(=C1)C(=O)O)Cl)Cl Z1269124173 [0,1,0,0,0,0|1,0,0]=2 399 B13R1.651 COC1=C(C=C(C(=C1)C(=O)O)F)Br Z3242946229 [0,1,0,0,0,0|1,0,0]=2 400 B13R1.651 COC1=C(C=C(C(=C1)C(=O)O)F)N Z1255365803 [0,1,0,0,0,0|1,0,0]=2 401 B13R1.651 COC1=C(C=C(C(=C1)C(=O)O)N)Br Z1618029543 [0,1,0,0,0,0|1,0,0]=2 402 B13R1.651 COC1=C(C=C(C(=C1)C(=O)O)N)Cl Z5590164839 [0,1,0,0,0,0|1,0,0]=2 403 B13R1.651 COC1=C(C=C(C(=C1)C(=O)O)N)F Z905174286 [0,1,0,0,0,0|1,0,0]=2 404 B13R1.651 COC1=C(C=C(C(=C1)[N+](=O)[O-])Cl)N Z56871702 [0,1,0,0,0,0|2,0,1]=4 405 B13R1.651 CSC1=C(C=C(C(=C1)C(=O)O)Cl)Cl Z1403247583 [0,1,0,0,0,0|1,1,0]=3 406 B13R1.651 N#CC1=C(C=C(C(=C1)C(=O)O)O)N Z1262518961 [0,1,0,0,0,0|3,0,0]=4 407 B13R1.651 N#CC1=CC(=C(C=C1F)F)C(=O)O Z1251415055 [0,1,0,0,0,0|3,0,0]=4 408 B13R1.651 O=CC1=CC(=C(C=C1F)F)C(=O)O Z1255493178 [0,1,0,0,0,0|3,0,0]=4 409 B13R1.3091 C=C(C)C1=CC(=C(C=C1)OC)OC Z1238836374 [0,1,0,0,0,0|2,0,0]=3 410 B13R1.3091 CCC1=C(C=C(C=C1)C(=O)O)C#N Z1262556666 [0,1,0,0,0,0|3,0,0]=4 411 B13R1.3091 CCC1=C(C=C(C=C1)C(=O)O)CC Z1262524593 [0,1,0,0,0,0|2,0,0]=3 412 B13R1.3091 CCC1=C(C=C(C=C1)C(=O)O)OC Z1198232631 [0,1,0,0,0,0|1,0,0]=2 413 B13R1.3091 CCC1=C(C=CC(=C1)C(=O)O)OC Z1255466895 [0,1,0,0,0,0|1,0,0]=2 414 B13R1.3091 CNC1=C(C=CC(=C1)[N+](=O)[O-])OC Z56871728 [0,1,0,0,0,0|2,0,1]=4 415 B13R1.3091 COC1=C(C=C(C=C1)B(O)O)OC Z336079998 [0,1,0,0,0,0|1,0,1]=3 416 B13R1.3091 COC1=C(C=C(C=C1)C(=O)C)C#N Z1255435976 [0,1,0,0,0,0|3,0,0]=4 417 B13R1.3091 COC1=C(C=C(C=C1)C(=O)C)CCl Z90124792 [0,1,0,0,0,0|3,0,0]=4 418 B13R1.3091 COC1=C(C=C(C=C1)C(=O)C)CO Z228585632 [0,1,0,0,0,0|3,0,0]=4 419 B13R1.3091 COC1=C(C=C(C=C1)C(=O)C)OC Z54182939 [0,1,0,0,0,0|1,0,0]=2 420 B13R1.3091 COC1=C(C=C(C=C1)C(=O)N)OC Z33546772 [0,1,0,0,0,0|1,0,0]=2 421 B13R1.3091 COC1=C(C=C(C=C1)C(=O)O)C=O Z1255436097 [0,1,0,0,0,0|2,0,0]=3 422 B13R1.3091 COC1=C(C=C(C=C1)C(=O)O)OC Z104478452 [0,1,0,0,0,0|0,0,0]=1 423 B13R1.3091 COC1=C(C=C(C=C1)C(=S)N)OC Z56998594 [0,1,0,0,0,0|1,1,0]=3 424 B13R1.3091 COC1=C(C=C(C=C1)C(C)N)OC Z444350090 [0,1,0,0,0,0|2,0,1]=4 425 B13R1.3091 COC1=C(C=C(C=C1)C(C)O)OC Z228586178 [0,1,0,0,0,0|1,0,1]=3 426 B13R1.3091 COC1=C(C=CC(=C1)C(=O)C)C#N Z1513608423 [0,1,0,0,0,0|2,0,0]=3 427 B13R1.3091 COC1=C(C=CC(=C1)C(=O)C)SC Z927375054 [0,1,0,0,0,0|1,1,0]=3 428 B13R1.3091 COC1=C(C=CC(=C1)C(=O)O)C#N Z1255464361 [0,1,0,0,0,0|1,0,0]=2 429 B13R1.3091 COC1=C(C=CC(=C1)C(=O)O)C=O Z1262528048 [0,1,0,0,0,0|0,0,1]=2 430 B13R1.3091 COC1=C(C=CC(=C1)[N+](=O)[O-])C#N Z1255431637 [0,1,0,0,0,0|2,0,1]=4 431 B13R1.3091 COC1=C(C=CC(=C1)[N+](=O)[O-])CN Z4283395290 [0,1,0,0,0,0|2,0,1]=4 432 B13R1.3091 COC1=C(N=C(C=C1)C(=O)O)OC Z1201625961 [0,1,0,0,0,0|1,0,0]=2 433 B13R1.3230 COC1=C(C(=CC=C1C)B(O)O)F Z1551956011 [0,1,0,0,0,0|2,0,1]=4 434 B13R1.3230 COC1=C(C(=CC=C1C)C(=O)O)F Z1681375317 [0,1,0,0,0,0|1,0,0]=2 435 B13R1.3230 COC1=C(C(=CC=C1F)B(O)O)F Z1263715410 [0,1,0,0,0,0|2,0,1]=4 436 B13R1.3230 COC1=C(C(=CC=C1F)C(=O)O)F Z1201621729 [0,1,0,0,0,0|1,0,0]=2 437 B13R1.3230 COC1=C(C=CC(=C1F)B(O)O)Cl Z1269213973 [0,1,0,0,0,0|2,0,1]=4 438 B13R1.3230 COC1=C(C=CC(=C1F)C(=O)N)Cl Z1269216160 [0,1,0,0,0,0|2,0,0]=3 439 B13R1.3230 COC1=C(C=CC(=C1N)C(=O)O)Cl Z808619710 [0,1,0,0,0,0|1,0,0]=2 440 B13R1.3230 O=CC1=C(C=CC(=C1F)C(=O)O)F Z1262560292 [0,1,0,0,0,0|3,0,0]=4 441 B13R2.430 CC(=O)C1=CC2=C(C=C1)CCC2 Z90665628 [0,0,0,1,0,0|3,0,0]=4 442 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCC2 Z212063108 [0,0,0,1,0,0|2,0,0]=3 443 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 Z104477826 [0,0,0,1,0,0|1,0,0]=2 444 B13R2.430 CC(N)C1=CC2=C(C=C1)OCO2 Z221421640 [0,0,0,1,0,0|2,0,1]=4 445 B13R2.430 CC(O)C1=CC2=C(C=C1)OCC2 Z445987286 [0,0,0,1,0,0|2,0,1]=4 446 B13R2.430 C[C@@H](N)C1=CC2=C(C=C1)OCO2 Z360055458 [0,0,0,1,0,0|2,0,1]=4 447 B13R2.430 NC(=O)C1=CC2=C(C=C1)CCC2 Z49524894 [0,0,0,1,0,0|3,0,0]=4 448 B13R2.430 NC(=O)C1=CC2=C(C=C1)N=CO2 Z1082678580 [0,0,0,1,0,0|2,0,1]=4 449 B13R2.430 NC(=O)C1=CC2=C(C=C1)NCC2 Z1696091761 [0,0,0,1,0,0|3,0,0]=4 450 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCC2 Z337983212 [0,0,0,1,0,0|2,0,0]=3 451 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCO2 Z33546650 [0,0,0,1,0,0|1,0,0]=2 452 B13R2.430 NC(=S)C1=CC2=C(C=C1)OCO2 Z381430268 [0,0,0,1,0,0|1,1,0]=3 453 B13R2.430 O=C(O)C1=CC2=C(C=C1)C=NN2 Z235348199 [0,0,0,1,0,0|3,0,0]=4 454 B13R2.430 O=C(O)C1=CC2=C(C=C1)C=NO2 Z1551943591 [0,0,0,1,0,0|2,0,0]=3 455 B13R2.430 O=C(O)C1=CC2=C(C=C1)C=NS2 Z1258976720 [0,0,0,1,0,0|2,1,0]=4 456 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCC2 Z85936364 [0,0,0,1,0,0|2,0,0]=3 457 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCN2 Z2895200811 [0,0,0,1,0,0|2,0,0]=3 458 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCO2 Z1198272392 [0,0,0,1,0,0|1,0,0]=2 459 B13R2.430 O=C(O)C1=CC2=C(C=C1)CNC2 Z1142498037 [0,0,0,1,0,0|3,0,0]=4 460 B13R2.430 O=C(O)C1=CC2=C(C=C1)COC2 Z940646330 [0,0,0,1,0,0|3,0,0]=4 461 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=NN2 Z1718361949 [0,0,0,1,0,0|3,0,0]=4 462 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 Z1118536235 [0,0,0,1,0,0|2,0,1]=4 463 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=N2 Z56922116 [0,0,0,1,0,0|2,0,1]=4 464 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=C2 Z235353827 [0,0,0,1,0,0|3,0,0]=4 465 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 Z1201620762 [0,0,0,1,0,0|1,0,1]=3 466 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 Z1198266513 [0,0,0,1,0,0|1,0,1]=3 467 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 Z104476884 [0,0,0,1,0,0|0,0,0]=1 468 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 Z1198165376 [0,0,0,1,0,0|1,1,1]=4 469 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=N2 Z1203159514 [0,0,0,1,0,0|1,1,1]=4 470 B13R2.430 O=C(O)C1=CC2=C(C=C1)SN=C2 Z1255464724 [0,0,0,1,0,0|2,1,0]=4 471 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 Z385481296 [0,0,0,1,0,0|2,0,1]=4 472 B13R2.430 O=C(O)C1=CC2=C(C=CO2)N=C1 Z1201627083 [0,0,0,1,0,0|2,0,1]=4 473 B13R2.430 O=C(O)C1=CC2=C(C=CS2)C=C1 Z1198183978 [0,0,0,1,0,0|1,1,1]=4 474 B13R2.430 O=C(O)C1=CC2=C(CCC2)N=C1 Z1198183915 [0,0,0,1,0,0|3,0,0]=4 475 B13R2.430 O=C(O)C1=CC2=C(N=C1)NCC2 Z3038435594 [0,0,0,1,0,0|3,0,0]=4 476 B13R2.430 O=C(O)C1=CC2=C(N=C1)OC=C2 Z1198237740 [0,0,0,1,0,0|2,0,1]=4 477 B13R2.430 O=C(O)C1=CC2=C(N=CO2)N=C1 Z3243061666 [0,0,0,1,0,0|2,0,1]=4 478 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 Z1255372852 [0,0,0,1,0,0|3,0,0]=4 479 B13R2.430 O=C(O)C1=NC2=C(C=C1)CCC2 Z3071179012 [0,0,0,1,0,0|3,0,0]=4 480 B13R2.430 O=C(O)C1=NC2=C(C=C1)CCN2 Z4630185001 [0,0,0,1,0,0|3,0,0]=4 481 B13R2.430 O=C(O)C1=NC2=C(C=C1)OC=C2 Z1255440192 [0,0,0,1,0,0|2,0,1]=4 482 B13R2.430 O=C(O)C1=NC2=C(C=C1)OC=N2 Z1551949931 [0,0,0,1,0,0|2,0,1]=4 483 B13R2.430 O=C(O)C1=NC2=C(C=C1)OCC2 Z1813160090 [0,0,0,1,0,0|2,0,0]=3 484 B13R2.430 O=C(O)C1=NC=C2OCOC2=C1 Z1255382393 [0,0,0,1,0,0|1,0,0]=2 485 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)OCC2 Z1486003387 [0,0,0,1,0,0|2,0,1]=4 486 B13R2.430 OB(O)C1=CC2=C(C=C1)CCO2 Z1504678173 [0,0,0,1,0,0|2,0,1]=4 487 B13R2.430 OB(O)C1=CC2=C(C=C1)OCC2 Z381541086 [0,0,0,1,0,0|2,0,1]=4 488 B13R2.430 OB(O)C1=CC2=C(C=C1)OCO2 Z381540928 [0,0,0,1,0,0|1,0,1]=3 489 B11R1.48 CCC1=C(C=C(O1)C(=O)O)C Z1262529610 [0,0,0,0,1,0|3,0,0]=4 490 B11R1.48 CCC1=C(C=C(S1)C(=O)O)Br Z1245633690 [0,0,0,0,1,0|3,0,0]=4 491 B11R1.48 CCC1=C(C=C(S1)C(=O)O)C Z90123545 [0,0,0,0,1,0|3,0,0]=4 492 B11R1.48 CCC1=C(SC(=C1)C(=O)O)C Z56347192 [0,0,0,0,1,0|3,0,0]=4 493 B11R1.48 COC1=C(SC(=C1)C(=O)O)Br Z1518607679 [0,0,0,0,1,0|2,0,0]=3 494 B11R1.48 COC1=C(SC(=C1)C(=O)O)Cl Z1262545034 [0,0,0,0,1,0|2,0,0]=3 495 B11R1.48 COC1=C(SC(=N1)C(=O)O)C Z2795963296 [0,0,0,0,1,0|3,0,0]=4 496 B11R1.48 COC1=CC(=NN1C)C(=O)O Z1255462748 [0,0,0,0,1,0|3,0,0]=4 497 B11R1.48 CSC1=C(OC(=C1)C(=O)O)C Z1192103311 [0,0,0,0,1,0|2,1,0]=4 498 B11R1.64 CCC1=C(C=CN1C)C(=O)O Z2128353892 [0,0,0,0,1,0|3,0,0]=4 499 B11R1.64 CCC1=C(SC=C1C(=O)O)C Z1198162458 [0,0,0,0,1,0|3,0,0]=4 500 B11R1.64 COC1=C(C=NN1C)C(=O)O Z1262555797 [0,0,0,0,1,0|3,0,0]=4 501 B11R1.64 COC1=C(SC=C1C(=O)O)C Z1262557644 [0,0,0,0,1,0|2,0,0]=3 502 B11R1.64 COC1=C(SC=C1C(=O)O)Cl Z1201618693 [0,0,0,0,1,0|2,0,0]=3 503 B11R1.64 COC1=C(SC=C1C)C(=O)O Z1198181420 [0,0,0,0,1,0|2,0,0]=3 504 B13R1.52 CCC1=C(C=CC(=C1)NC(=O)C)C Z1216820081 [0,0,0,0,0,1|3,0,0]=4 505 B13R1.52 COC1=C(C=CC(=C1)CC(=O)N)C Z194976376 [0,0,0,0,0,1|2,0,0]=3 506 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)Br Z1269221903 [0,0,0,0,0,1|1,0,0]=2 507 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)C Z168876634 [0,0,0,0,0,1|1,0,0]=2 508 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)Cl Z1269148038 [0,0,0,0,0,1|1,0,0]=2 509 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)N Z4184587402 [0,0,0,0,0,1|1,0,0]=2 510 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O Z1203162033 [0,0,0,0,0,1|0,0,0]=1 511 B13R1.52 COC1=C(C=CC(=C1)CC(C)N)O Z4119887033 [0,0,0,0,0,1|2,0,1]=4 512 B13R1.52 COC1=C(C=CC(=C1)CN(C)C)O Z2177030804 [0,0,0,0,0,1|3,0,0]=4 513 B13R1.52 COC1=C(C=CC(=C1)NC(=O)C)N Z278204678 [0,0,0,0,0,1|2,0,0]=3 514 B13R1.52 COC1=C(C=CC(=C1)NC(=O)N)Br Z1321379839 [0,0,0,0,0,1|2,0,0]=3 515 B13R1.52 COC1=C(C=CC(=C1)NC(=O)N)F Z1763025566 [0,0,0,0,0,1|2,0,0]=3 516 B13R1.52 O=CC1=C(C=CC(=C1)CC(=O)O)O Z1681376601 [0,0,0,0,0,1|2,0,0]=3 517 B10R1.13 CC(=O)C1=CC=C(C=C1)Br Z57127459 [2,0,0,0,0,0|2,0,0]=4 518 B10R1.13 CC(=O)C1=CC=C(C=C1)C Z57127458 [2,0,0,0,0,0|2,0,0]=4 519 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl Z57127462 [2,0,0,0,0,0|2,0,0]=4 520 B10R1.13 CC(=O)C1=CC=C(C=C1)F Z57127466 [2,0,0,0,0,0|2,0,0]=4 521 B10R1.13 CC(=O)C1=CC=C(C=C1)I Z57073725 [2,0,0,0,0,0|2,0,0]=4 522 B10R1.13 CC(=O)C1=CC=C(C=C1)N Z57127377 [2,0,0,0,0,0|2,0,0]=4 523 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [2,0,0,0,0,0|1,0,0]=3 524 B10R1.13 CC1=CC=C(C=C1)C(=O)O Z57902424 [2,0,0,0,0,0|1,0,0]=3 525 B10R1.13 CC1=CN=C(C=C1)C(=O)O Z1511494596 [2,0,0,0,0,0|2,0,0]=4 526 B10R1.13 CC1=NC=C(C=C1)C(=O)O Z235485476 [2,0,0,0,0,0|2,0,0]=4 527 B10R1.13 N=C(N)C1=CC=C(C=C1)O Z1262398570 [2,0,0,0,0,0|2,0,0]=4 528 B10R1.13 NC(=O)C1=CC=C(C=C1)Br Z33546526 [2,0,0,0,0,0|2,0,0]=4 529 B10R1.13 NC(=O)C1=CC=C(C=C1)F Z33546459 [2,0,0,0,0,0|2,0,0]=4 530 B10R1.13 NC(=O)C1=CC=C(C=C1)I Z33546486 [2,0,0,0,0,0|2,0,0]=4 531 B10R1.13 NC(=O)C1=CC=C(C=C1)N Z104474782 [2,0,0,0,0,0|2,0,0]=4 532 B10R1.13 NC(=O)C1=CC=C(C=C1)O Z104502228 [2,0,0,0,0,0|1,0,0]=3 533 B10R1.13 NC(=S)C1=CC=C(C=C1)O Z90124534 [2,0,0,0,0,0|1,1,0]=4 534 B10R1.13 NC1=CC=C(C=C1)C(=O)O Z57127446 [2,0,0,0,0,0|1,0,0]=3 535 B10R1.13 NC1=CN=C(C=C1)C(=O)O Z1649677869 [2,0,0,0,0,0|2,0,0]=4 536 B10R1.13 NC1=NC=C(C=C1)C(=O)O Z90122558 [2,0,0,0,0,0|2,0,0]=4 537 B10R1.13 O=C(O)C1=CC=C(C=C1)Br Z57127530 [2,0,0,0,0,0|1,0,0]=3 538 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl Z104473324 [2,0,0,0,0,0|1,0,0]=3 539 B10R1.13 O=C(O)C1=CC=C(C=C1)F Z57367354 [2,0,0,0,0,0|1,0,0]=3 540 B10R1.13 O=C(O)C1=CC=C(C=C1)I Z57636572 [2,0,0,0,0,0|1,0,0]=3 541 B10R1.13 O=C(O)C1=CC=C(C=C1)O Z104498098 [2,0,0,0,0,0|0,0,0]=2 542 B10R1.13 O=C(O)C1=CC=C(C=C1)S Z223639246 [2,0,0,0,0,0|0,1,0]=3 543 B10R1.13 O=C(O)C1=CN=C(C=C1)Br Z1258919772 [2,0,0,0,0,0|2,0,0]=4 544 B10R1.13 O=C(O)C1=CN=C(C=C1)Cl Z104476110 [2,0,0,0,0,0|2,0,0]=4 545 B10R1.13 O=C(O)C1=CN=C(C=C1)F Z1182395505 [2,0,0,0,0,0|2,0,0]=4 546 B10R1.13 O=C(O)C1=CN=C(C=C1)O Z104500708 [2,0,0,0,0,0|1,0,0]=3 547 B10R1.13 O=C(O)C1=NC=C(C=C1)Br Z972791012 [2,0,0,0,0,0|2,0,0]=4 548 B10R1.13 O=C(O)C1=NC=C(C=C1)Cl Z1201622823 [2,0,0,0,0,0|2,0,0]=4 549 B10R1.13 O=C(O)C1=NC=C(C=C1)I Z1069125846 [2,0,0,0,0,0|2,0,0]=4 550 B10R1.13 O=C1C=CC(=CO1)C(=O)O Z104472302 [2,0,0,0,0,0|1,0,1]=4 551 B10R1.13 O=P(O)C1=CC=C(C=C1)Cl Z56798029 [2,0,0,0,0,0|2,0,0]=4 552 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O Z57127483 [2,0,0,0,0,0|1,0,1]=4 553 B10R1.13 OB(O)C1=CC=C(C=C1)O Z336080006 [2,0,0,0,0,0|1,0,1]=4 554 B10R1.113 CC(=O)C1=CC(=CC=C1)Br Z104472956 [2,0,0,0,0,0|2,0,0]=4 555 B10R1.113 CC(=O)C1=CC(=CC=C1)C Z104482920 [2,0,0,0,0,0|1,0,0]=3 556 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl Z104477350 [2,0,0,0,0,0|2,0,0]=4 557 B10R1.113 CC(=O)C1=CC(=CC=C1)N Z57127443 [2,0,0,0,0,0|2,0,0]=4 558 B10R1.113 CC(=O)C1=CC(=CN=C1)C Z1198331406 [2,0,0,0,0,0|2,0,0]=4 559 B10R1.113 CC(O)C1=CC(=CC=C1)O Z335245176 [2,0,0,0,0,0|1,0,1]=4 560 B10R1.113 CC1=CC(=CC=C1)B(O)O Z336079540 [2,0,0,0,0,0|1,0,1]=4 561 B10R1.113 CC1=CC(=CC=C1)C(=N)N Z2471262589 [2,0,0,0,0,0|2,0,0]=4 562 B10R1.113 CC1=CC(=CC=C1)C(=O)N Z33546925 [2,0,0,0,0,0|1,0,0]=3 563 B10R1.113 CC1=CC(=CC=C1)C(=O)O Z57913535 [2,0,0,0,0,0|0,0,0]=2 564 B10R1.113 CC1=CC(=CC=C1)C(=S)N Z90122768 [2,0,0,0,0,0|1,1,0]=4 565 B10R1.113 CC1=CC(=CC=C1)[N+](=O)[O-] Z104508722 [2,0,0,0,0,0|1,0,1]=4 566 B10R1.113 CC1=CC(=CN=C1)C(=O)N Z1203579033 [2,0,0,0,0,0|2,0,0]=4 567 B10R1.113 CC1=CC(=CN=C1)C(=O)O Z825019000 [2,0,0,0,0,0|1,0,0]=3 568 B10R1.113 CC1=CC=CC(=C1)C(C)O Z445987122 [2,0,0,0,0,0|1,0,1]=4 569 B10R1.113 CC1=CC=CC(=C1)[C@@H](C)O Z1127664487 [2,0,0,0,0,0|1,0,1]=4 570 B10R1.113 CC1=CC=CC(=C1)[C@H](C)O Z1127664373 [2,0,0,0,0,0|1,0,1]=4 571 B10R1.113 CC1=NC(=CC=C1)C(=O)N Z287485516 [2,0,0,0,0,0|2,0,0]=4 572 B10R1.113 CC1=NC(=CC=C1)C(=O)O Z278017928 [2,0,0,0,0,0|1,0,0]=3 573 B10R1.113 CC1=NC(=CC=N1)C(=O)O Z489806966 [2,0,0,0,0,0|2,0,0]=4 574 B10R1.113 CC1=NC=CC(=C1)C(=O)N Z1203579723 [2,0,0,0,0,0|2,0,0]=4 575 B10R1.113 CC1=NC=CC(=C1)C(=O)O Z1205493663 [2,0,0,0,0,0|1,0,0]=3 576 B10R1.113 CC1=NN=CC(=C1)C(=O)O Z1205496420 [2,0,0,0,0,0|2,0,0]=4 577 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)O Z959151708 [2,0,0,0,0,0|1,0,1]=4 578 B10R1.113 C[C@H](O)C1=CC(=CC=C1)O Z959151706 [2,0,0,0,0,0|1,0,1]=4 579 B10R1.113 N=C(N)C1=CC(=CC=C1)O Z1592024758 [2,0,0,0,0,0|2,0,0]=4 580 B10R1.113 NC(=O)C1=CC(=CC=C1)Br Z33546517 [2,0,0,0,0,0|2,0,0]=4 581 B10R1.113 NC(=O)C1=CC(=CC=C1)Cl Z33546479 [2,0,0,0,0,0|2,0,0]=4 582 B10R1.113 NC(=O)C1=CC(=CC=C1)I Z33546647 [2,0,0,0,0,0|2,0,0]=4 583 B10R1.113 NC(=O)C1=CC(=CC=C1)N Z118530082 [2,0,0,0,0,0|2,0,0]=4 584 B10R1.113 NC(=O)C1=CC(=CC=C1)O Z33546460 [2,0,0,0,0,0|1,0,0]=3 585 B10R1.113 NC(=O)C1=CC(=CC=C1)S Z1255359534 [2,0,0,0,0,0|1,1,0]=4 586 B10R1.113 NC(=O)C1=CC(=CN=C1)O Z1160905298 [2,0,0,0,0,0|2,0,0]=4 587 B10R1.113 NC1=CC(=CC=C1)C(=O)O Z57127542 [2,0,0,0,0,0|1,0,0]=3 588 B10R1.113 NC1=CC(=CN=C1)C(=O)O Z1095353978 [2,0,0,0,0,0|2,0,0]=4 589 B10R1.113 NC1=CC(=NC=C1)C(=O)O Z381413014 [2,0,0,0,0,0|2,0,0]=4 590 B10R1.113 NC1=NC(=CC=C1)C(=O)O Z220336222 [2,0,0,0,0,0|2,0,0]=4 591 B10R1.113 O=C(O)C1=CC(=CC=C1)Br Z104475790 [2,0,0,0,0,0|1,0,0]=3 592 B10R1.113 O=C(O)C1=CC(=CC=C1)Cl Z104474062 [2,0,0,0,0,0|1,0,0]=3 593 B10R1.113 O=C(O)C1=CC(=CC=C1)F Z104477304 [2,0,0,0,0,0|1,0,0]=3 594 B10R1.113 O=C(O)C1=CC(=CC=C1)I Z56924537 [2,0,0,0,0,0|1,0,0]=3 595 B10R1.113 O=C(O)C1=CC(=CC=C1)O Z56919254 [2,0,0,0,0,0|0,0,0]=2 596 B10R1.113 O=C(O)C1=CC(=CC=C1)S Z1201630948 [2,0,0,0,0,0|0,1,0]=3 597 B10R1.113 O=C(O)C1=CC(=CN=C1)Br Z104476582 [2,0,0,0,0,0|2,0,0]=4 598 B10R1.113 O=C(O)C1=CC(=CN=C1)Cl Z972756276 [2,0,0,0,0,0|2,0,0]=4 599 B10R1.113 O=C(O)C1=CC(=CN=C1)F Z1192357288 [2,0,0,0,0,0|2,0,0]=4 600 B10R1.113 O=C(O)C1=CC(=CN=C1)O Z57124104 [2,0,0,0,0,0|1,0,0]=3 601 B10R1.113 O=C(O)C1=CC(=CN=C1)S Z2238935068 [2,0,0,0,0,0|1,1,0]=4 602 B10R1.113 O=C(O)C1=CC(=NC=C1)Br Z1259086653 [2,0,0,0,0,0|2,0,0]=4 603 B10R1.113 O=C(O)C1=CC(=NC=C1)Cl Z135302154 [2,0,0,0,0,0|2,0,0]=4 604 B10R1.113 O=C(O)C1=CC(=NC=C1)F Z234896331 [2,0,0,0,0,0|2,0,0]=4 605 B10R1.113 O=C(O)C1=CC(=NC=C1)S Z800150220 [2,0,0,0,0,0|1,1,0]=4 606 B10R1.113 O=C(O)C1=C[N+](=CC=C1)[O-] Z104477974 [2,0,0,0,0,0|1,0,1]=4 607 B10R1.113 O=C(O)C1=NC(=CC=C1)Br Z415628156 [2,0,0,0,0,0|2,0,0]=4 608 B10R1.113 O=C(O)C1=NC(=CC=C1)Cl Z56771183 [2,0,0,0,0,0|2,0,0]=4 609 B10R1.113 O=C(O)C1=NC(=CC=C1)F Z1203162000 [2,0,0,0,0,0|2,0,0]=4 610 B10R1.113 O=C(O)C1=NC=CC(=C1)Br Z802558860 [2,0,0,0,0,0|2,0,0]=4 611 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl Z57990012 [2,0,0,0,0,0|2,0,0]=4 612 B10R1.113 O=C(O)C1=NC=CC(=C1)O Z385458378 [2,0,0,0,0,0|1,0,0]=3 613 B10R1.113 O=C1C=C(C=CN1)C(=O)O Z1416200909 [2,0,0,0,0,0|1,0,1]=4 614 B10R1.113 O=C1C=CC=C(N1)C(=O)O Z359371306 [2,0,0,0,0,0|1,0,1]=4 615 B10R1.113 O=C1C=CC=C(O1)C(=O)O Z1198151696 [2,0,0,0,0,0|1,0,1]=4 616 B10R1.113 O=[N+]([O-])C1=CC=CC(=C1)O Z57160187 [2,0,0,0,0,0|1,0,1]=4 617 B10R1.113 OB(O)C1=CC(=CC=C1)O Z336080002 [2,0,0,0,0,0|1,0,1]=4 618 B10R1.176 CC1=C(C=C(C=C1)C=O)Br Z1198165094 [2,0,0,0,0,0|2,0,0]=4 619 B10R1.176 CC1=C(C=C(C=C1)C=O)C Z147641440 [2,0,0,0,0,0|1,0,0]=3 620 B10R1.176 CC1=C(C=C(C=C1)C=O)Cl Z1097119562 [2,0,0,0,0,0|2,0,0]=4 621 B10R1.176 CC1=C(C=C(C=C1)C=O)F Z1079442530 [2,0,0,0,0,0|2,0,0]=4 622 B10R1.176 CC1=C(C=C(C=C1)C=O)O Z1198157218 [2,0,0,0,0,0|1,0,0]=3 623 B10R1.176 CC1=C(C=CC(=C1)C#N)O Z606249182 [2,0,0,0,0,0|1,0,1]=4 624 B10R1.176 CC1=C(C=CC(=C1)C=O)Br Z1198175071 [2,0,0,0,0,0|1,0,0]=3 625 B10R1.176 CC1=C(C=CC(=C1)C=O)Cl Z1201621734 [2,0,0,0,0,0|1,0,0]=3 626 B10R1.176 CC1=C(C=CC(=C1)C=O)F Z732814060 [2,0,0,0,0,0|1,0,0]=3 627 B10R1.176 CC1=C(C=CC(=C1)C=O)I Z1269181559 [2,0,0,0,0,0|1,0,0]=3 628 B10R1.176 CC1=C(C=CC(=C1)C=O)O Z1082846778 [2,0,0,0,0,0|0,0,0]=2 629 B10R1.176 CC1=C(C=CC(=C1)CO)Br Z1269142250 [2,0,0,0,0,0|1,0,1]=4 630 B10R1.176 CC1=C(C=CC(=C1)CO)Cl Z1201623310 [2,0,0,0,0,0|1,0,1]=4 631 B10R1.176 CC1=C(C=CC(=N1)C=O)O Z1255405992 [2,0,0,0,0,0|1,0,0]=3 632 B10R1.176 CC1=C(C=NC(=C1)C=O)Br Z1269213722 [2,0,0,0,0,0|2,0,0]=4 633 B10R1.176 CC1=C(N=C(C=C1)C=O)C Z1255398335 [2,0,0,0,0,0|2,0,0]=4 634 B10R1.176 CC1=C(N=CC(=C1)C=O)C Z1255402338 [2,0,0,0,0,0|2,0,0]=4 635 B10R1.176 CC1=C(N=CC(=C1)C=O)O Z1415926172 [2,0,0,0,0,0|1,0,0]=3 636 B10R1.176 CCC1=CC(=C(C=C1)O)C Z1255463943 [2,0,0,0,0,0|1,0,1]=4 637 B10R1.176 CN1C=C(C=CC1=O)C=O Z1511755966 [2,0,0,0,0,0|1,0,1]=4 638 B10R1.176 COC1=CC(=C(C=C1)O)C Z1198310476 [2,0,0,0,0,0|2,0,0]=4 639 B10R1.176 NC1=C(C=C(C=C1)C=O)Cl Z1198314265 [2,0,0,0,0,0|2,0,0]=4 640 B10R1.176 NCC1=CC(=C(C=C1)O)O Z1272096628 [2,0,0,0,0,0|1,0,1]=4 641 B10R1.176 O=CC1=CC(=C(C=C1)Br)Br Z1269188996 [2,0,0,0,0,0|2,0,0]=4 642 B10R1.176 O=CC1=CC(=C(C=C1)Br)Cl Z1269162864 [2,0,0,0,0,0|2,0,0]=4 643 B10R1.176 O=CC1=CC(=C(C=C1)Br)F Z1079442824 [2,0,0,0,0,0|2,0,0]=4 644 B10R1.176 O=CC1=CC(=C(C=C1)Cl)Br Z1269163997 [2,0,0,0,0,0|2,0,0]=4 645 B10R1.176 O=CC1=CC(=C(C=C1)Cl)Cl Z57887872 [2,0,0,0,0,0|2,0,0]=4 646 B10R1.176 O=CC1=CC(=C(C=C1)Cl)F Z838969200 [2,0,0,0,0,0|2,0,0]=4 647 B10R1.176 O=CC1=CC(=C(C=C1)Cl)O Z1255452805 [2,0,0,0,0,0|1,0,0]=3 648 B10R1.176 O=CC1=CC(=C(C=C1)F)Br Z104489526 [2,0,0,0,0,0|2,0,0]=4 649 B10R1.176 O=CC1=CC(=C(C=C1)F)Cl Z586248502 [2,0,0,0,0,0|2,0,0]=4 650 B10R1.176 O=CC1=CC(=C(C=C1)F)F Z104477800 [2,0,0,0,0,0|2,0,0]=4 651 B10R1.176 O=CC1=CC(=C(C=C1)F)I Z1269142176 [2,0,0,0,0,0|2,0,0]=4 652 B10R1.176 O=CC1=CC(=C(C=C1)O)Br Z56960236 [2,0,0,0,0,0|1,0,0]=3 653 B10R1.176 O=CC1=CC(=C(C=C1)O)Cl Z57313902 [2,0,0,0,0,0|1,0,0]=3 654 B10R1.176 O=CC1=CC(=C(C=C1)O)F Z385458796 [2,0,0,0,0,0|1,0,0]=3 655 B10R1.176 O=CC1=CC(=C(C=C1)O)O Z56957508 [2,0,0,0,0,0|0,0,0]=2 656 B10R1.176 O=CC1=CC(=C(N=C1)O)Br Z1269204264 [2,0,0,0,0,0|2,0,0]=4 657 B10R1.176 O=CC1=NC(=C(C=C1)O)O Z3243070108 [2,0,0,0,0,0|1,0,0]=3 658 B10R1.176 OCC1=CC(=C(C=C1)I)O Z1269159331 [2,0,0,0,0,0|1,0,1]=4 659 B10R1.176 OCC1=CC(=C(C=C1)O)Cl Z839172284 [2,0,0,0,0,0|1,0,1]=4 660 B10R1.176 OCC1=CC(=C(C=C1)O)F Z385458838 [2,0,0,0,0,0|1,0,1]=4 661 B10R1.176 OCC1=NC=C(C(=C1)O)O Z3003010756 [2,0,0,0,0,0|1,0,1]=4 662 B10R1.172 C#CC1=CC=CC(=C1)C=O Z1201623414 [2,0,0,0,0,0|1,0,1]=4 663 B10R1.172 CCC1=CC(=CC=C1)C=O Z1198218859 [2,0,0,0,0,0|1,0,0]=3 664 B10R1.172 CCC1=CC(=CN=C1)C=O Z1255382321 [2,0,0,0,0,0|2,0,0]=4 665 B10R1.172 CCC1=CC(=NC=C1)C=O Z1255380583 [2,0,0,0,0,0|2,0,0]=4 666 B10R1.172 CCC1=NC(=CC=C1)C=O Z1255375781 [2,0,0,0,0,0|2,0,0]=4 667 B10R1.172 CCC1=NC=CC(=C1)C=O Z1255362037 [2,0,0,0,0,0|2,0,0]=4 668 B10R1.172 CNC1=CC(=CC=C1)C=O Z1203829743 [2,0,0,0,0,0|1,0,0]=3 669 B10R1.172 CNC1=CC(=CC=C1)CO Z1082871942 [2,0,0,0,0,0|1,0,1]=4 670 B10R1.172 CNC1=CC(=CC=C1)OC Z3013892520 [2,0,0,0,0,0|2,0,0]=4 671 B10R1.172 COC1=CC(=CC=C1)C=O Z53836050 [2,0,0,0,0,0|0,0,0]=2 672 B10R1.172 COC1=CC(=CC=C1)CCl Z104486106 [2,0,0,0,0,0|1,0,1]=4 673 B10R1.172 COC1=CC(=CC=C1)CO Z90121251 [2,0,0,0,0,0|0,0,1]=3 674 B10R1.172 COC1=CC(=CC=C1)NN Z94599902 [2,0,0,0,0,0|2,0,0]=4 675 B10R1.172 COC1=CC(=CN=C1)C=O Z1255365477 [2,0,0,0,0,0|1,0,0]=3 676 B10R1.172 COC1=CC(=NC=C1)C=O Z1198176555 [2,0,0,0,0,0|1,0,0]=3 677 B10R1.172 COC1=CC(=NC=C1)CO Z800297980 [2,0,0,0,0,0|1,0,1]=4 678 B10R1.172 COC1=NC(=CC=C1)C=O Z1160906077 [2,0,0,0,0,0|1,0,0]=3 679 B10R1.172 COC1=NC(=CC=C1)CO Z969097688 [2,0,0,0,0,0|1,0,1]=4 680 B10R1.172 COC1=NC(=NC=C1)C=O Z1198330110 [2,0,0,0,0,0|2,0,0]=4 681 B10R1.172 COC1=NC=NC(=C1)C=O Z2178582106 [2,0,0,0,0,0|2,0,0]=4 682 B10R1.172 CSC1=CC(=CC=C1)C=O Z1198235179 [2,0,0,0,0,0|0,1,0]=3 683 B10R1.172 N#CC1=CC=CC(=C1)C=O Z210802450 [2,0,0,0,0,0|2,0,0]=4 684 B10R1.172 NCC1=CC(=CC=C1)C=O Z3481427925 [2,0,0,0,0,0|2,0,0]=4 685 B10R1.172 O=CC1=CC=CC(=C1)CBr Z1201623840 [2,0,0,0,0,0|2,0,0]=4 686 B10R1.172 O=CC1=CC=CC(=C1)CCl Z1205658947 [2,0,0,0,0,0|2,0,0]=4 687 B10R1.172 O=CC1=CC=CC(=C1)CF Z1511848007 [2,0,0,0,0,0|2,0,0]=4 688 B10R1.30 CCC1=C(C=CC(=C1)Br)O Z1269214466 [2,0,0,0,0,0|2,0,0]=4 689 B10R1.30 CCC1=C(C=CC(=C1)O)O Z1255360449 [2,0,0,0,0,0|1,0,0]=3 690 B10R1.30 COC1=C(C=CC(=C1)C)N Z607822396 [2,0,0,0,0,0|1,0,1]=4 691 B10R1.30 COC1=C(C=CC(=C1)Cl)N Z851801172 [2,0,0,0,0,0|2,0,0]=4 692 B10R1.30 COC1=C(C=CC(=C1)F)N Z240869728 [2,0,0,0,0,0|2,0,0]=4 693 B10R1.30 COC1=C(C=CC(=C1)I)Br Z1269142199 [2,0,0,0,0,0|2,0,0]=4 694 B10R1.30 COC1=C(C=CC(=C1)I)N Z2230911387 [2,0,0,0,0,0|2,0,0]=4 695 B10R1.30 COC1=C(C=CC(=C1)N)Br Z1269152504 [2,0,0,0,0,0|2,0,0]=4 696 B10R1.30 COC1=C(C=CC(=C1)N)Cl Z586249876 [2,0,0,0,0,0|2,0,0]=4 697 B10R1.30 COC1=C(C=CC(=C1)N)N Z1147221600 [2,0,0,0,0,0|2,0,0]=4 698 B10R1.30 COC1=C(C=CC(=C1)N)O Z3244869289 [2,0,0,0,0,0|1,0,0]=3 699 B10R1.30 COC1=C(C=CC(=C1)O)Br Z1258567775 [2,0,0,0,0,0|1,0,0]=3 700 B10R1.30 COC1=C(C=CC(=C1)O)N Z2574932955 [2,0,0,0,0,0|1,0,0]=3 701 B10R1.30 COC1=C(C=CC(=N1)C)O Z1255397596 [2,0,0,0,0,0|1,0,1]=4 702 B10R1.30 COC1=CC(=O)NC=C1Br Z1582263828 [2,0,0,0,0,0|2,0,0]=4 703 B10R1.30 CSC1=C(C=CC(=C1)O)N Z1255433773 [2,0,0,0,0,0|1,1,0]=4 704 B10R1.30 NCC1=C(C=CC(=C1)O)O Z2757657768 [2,0,0,0,0,0|2,0,0]=4 705 B10R1.30 O=CC1=C(C=CC(=C1)O)O Z586251264 [2,0,0,0,0,0|2,0,0]=4 706 B12R1.23 CC1=C(C=CC(=C1)S(=O)(=O)C)O Z1486003588 [1,1,0,0,0,0|1,0,1]=4 707 B12R1.48 C#CC1=C(C=C(C=C1)C(=O)O)C Z1617995655 [1,1,0,0,0,0|1,0,0]=3 708 B12R1.48 CC1=C(C=CC(=N1)C(=O)O)C#N Z359500776 [1,1,0,0,0,0|2,0,0]=4 709 B12R1.48 CC1=C(C=NC(=C1)C(=O)O)C#N Z1681362991 [1,1,0,0,0,0|2,0,0]=4 710 B12R1.48 CC1=C(C=NC(=C1)C(=O)O)C=O Z1813345405 [1,1,0,0,0,0|1,0,1]=4 711 B12R1.48 CC1=C(C=NC(=C1)C(=O)O)CO Z3491165711 [1,1,0,0,0,0|1,0,0]=3 712 B12R1.48 CC1=C(N=CC(=C1)C(=O)O)C#N Z2311104650 [1,1,0,0,0,0|2,0,0]=4 713 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)Cl Z1255376027 [1,1,0,0,0,0|2,0,0]=4 714 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)F Z1255438299 [1,1,0,0,0,0|2,0,0]=4 715 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)N Z1079174536 [1,1,0,0,0,0|2,0,0]=4 716 B12R1.48 CNC1=C(C=C(C=C1)C(=O)O)F Z995130308 [1,1,0,0,0,0|2,0,0]=4 717 B12R1.48 CNC1=C(C=C(C=C1)C(=O)O)N Z1945708092 [1,1,0,0,0,0|2,0,0]=4 718 B12R1.48 COC1=C(C=C(C=C1)B(O)O)C Z415732504 [1,1,0,0,0,0|1,0,1]=4 719 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)Br Z57042009 [1,1,0,0,0,0|2,0,0]=4 720 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)C Z415732058 [1,1,0,0,0,0|1,0,0]=3 721 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)Cl Z331027654 [1,1,0,0,0,0|2,0,0]=4 722 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)F Z85921976 [1,1,0,0,0,0|2,0,0]=4 723 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)O Z1255365043 [1,1,0,0,0,0|1,0,0]=3 724 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)Br Z101186024 [1,1,0,0,0,0|2,0,0]=4 725 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)F Z87615059 [1,1,0,0,0,0|2,0,0]=4 726 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N Z239125322 [1,1,0,0,0,0|2,0,0]=4 727 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br Z57663652 [1,1,0,0,0,0|1,0,0]=3 728 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Cl Z57790676 [1,1,0,0,0,0|1,0,0]=3 729 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)F Z57169536 [1,1,0,0,0,0|1,0,0]=3 730 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)I Z57200689 [1,1,0,0,0,0|1,0,0]=3 731 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)N Z274783176 [1,1,0,0,0,0|1,0,0]=3 732 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O Z381356676 [1,1,0,0,0,0|0,0,0]=2 733 B12R1.48 COC1=C(C=C(C=N1)C(=O)O)Br Z1269152701 [1,1,0,0,0,0|2,0,0]=4 734 B12R1.48 COC1=C(N=C(C=C1)C(=O)O)Cl Z1198174178 [1,1,0,0,0,0|2,0,0]=4 735 B12R1.48 COC1=CNC(=CC1=O)C(=O)O Z1198280174 [1,1,0,0,0,0|1,0,1]=4 736 B12R1.48 COC1=COC(=CC1=O)C(=O)O Z1198280173 [1,1,0,0,0,0|1,0,1]=4 737 B12R1.48 N#CC1=C(C=C(C=C1)C(=O)O)Cl Z1255430722 [1,1,0,0,0,0|2,0,0]=4 738 B12R1.48 N#CC1=C(C=C(C=C1)C(=O)O)O Z1255367441 [1,1,0,0,0,0|1,0,0]=3 739 B12R1.48 NCC1=C(C=C(C=C1)C(=O)O)Br Z2901372894 [1,1,0,0,0,0|2,0,0]=4 740 B12R1.48 NCC1=C(C=C(C=C1)C(=O)O)F Z4679492911 [1,1,0,0,0,0|2,0,0]=4 741 B12R1.48 NCC1=C(C=C(C=C1)C(=O)O)O Z3413989910 [1,1,0,0,0,0|1,0,0]=3 742 B12R1.48 O=C(O)C1=CC(=C(C=C1)CO)Cl Z1551918094 [1,1,0,0,0,0|1,0,0]=3 743 B12R1.48 O=C(O)C1=CC(=C(C=C1)CO)F Z1080722404 [1,1,0,0,0,0|1,0,0]=3 744 B12R1.48 O=C(O)C1=CC(=C(C=C1)CS)F Z381364016 [1,1,0,0,0,0|1,1,0]=4 745 B12R1.48 O=CC1=C(C=C(C=C1)C(=O)O)Cl Z1262534327 [1,1,0,0,0,0|1,0,1]=4 746 B12R1.48 O=CC1=C(C=C(C=C1)C(=O)O)O Z1255365429 [1,1,0,0,0,0|0,0,1]=3 747 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)Br)O Z1269152570 [1,1,0,0,0,0|2,0,0]=4 748 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)Cl Z1258978241 [1,1,0,0,0,0|2,0,0]=4 749 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)O Z57784029 [1,1,0,0,0,0|2,0,0]=4 750 B12R1.232 CC(=O)C1=C(C=C(C(=C1)O)F)F Z2310996536 [1,1,0,0,0,0|2,0,0]=4 751 B12R1.232 CC(=O)C1=C(C=C(C(=C1)O)O)O Z274502124 [1,1,0,0,0,0|1,0,0]=3 752 B12R1.232 CC1=C(C=C(C(=C1)Br)C(=O)O)Br Z1269220185 [1,1,0,0,0,0|2,0,0]=4 753 B12R1.232 CC1=C(C=C(C(=C1)Br)C(=O)O)Cl Z1993723520 [1,1,0,0,0,0|2,0,0]=4 754 B12R1.232 CC1=C(C=C(C(=C1)Br)C(=O)O)N Z1269183101 [1,1,0,0,0,0|2,0,0]=4 755 B12R1.232 CC1=C(C=C(C(=C1)Br)Cl)C(=O)O Z1269169301 [1,1,0,0,0,0|2,0,0]=4 756 B12R1.232 CC1=C(C=C(C(=C1)Br)F)C(=O)O Z1269219899 [1,1,0,0,0,0|2,0,0]=4 757 B12R1.232 CC1=C(C=C(C(=C1)Br)N)C(=O)O Z1618024390 [1,1,0,0,0,0|2,0,0]=4 758 B12R1.232 CC1=C(C=C(C(=C1)C(=O)O)Cl)Cl Z1258905398 [1,1,0,0,0,0|1,0,0]=3 759 B12R1.232 CC1=C(C=C(C(=C1)C(=O)O)Cl)F Z1262556078 [1,1,0,0,0,0|1,0,0]=3 760 B12R1.232 CC1=C(C=C(C(=C1)C(=O)O)Cl)N Z1416158395 [1,1,0,0,0,0|1,0,0]=3 761 B12R1.232 CC1=C(C=C(C(=C1)C(=O)O)F)Cl Z1262560000 [1,1,0,0,0,0|1,0,0]=3 762 B12R1.232 CC1=C(C=C(C(=C1)C(=O)O)F)F Z1198233559 [1,1,0,0,0,0|1,0,0]=3 763 B12R1.232 CC1=C(C=C(C(=C1)C(=O)O)F)N Z3303679359 [1,1,0,0,0,0|1,0,0]=3 764 B12R1.232 CC1=C(C=C(C(=C1)C(=O)O)I)Cl Z1681355647 [1,1,0,0,0,0|1,0,0]=3 765 B12R1.232 CC1=C(C=C(C(=C1)C(=O)O)N)F Z1262528076 [1,1,0,0,0,0|1,0,0]=3 766 B12R1.232 CC1=C(C=C(C(=C1)Cl)C(=O)O)Br Z1888356777 [1,1,0,0,0,0|2,0,0]=4 767 B12R1.232 CC1=C(C=C(C(=C1)Cl)C(=O)O)C Z1201628893 [1,1,0,0,0,0|1,0,0]=3 768 B12R1.232 CC1=C(C=C(C(=C1)Cl)C(=O)O)F Z1255402558 [1,1,0,0,0,0|2,0,0]=4 769 B12R1.232 CC1=C(C=C(C(=C1)Cl)C(=O)O)N Z1262538437 [1,1,0,0,0,0|2,0,0]=4 770 B12R1.232 CC1=C(C=C(C(=C1)Cl)Cl)C(=O)O Z1509028747 [1,1,0,0,0,0|2,0,0]=4 771 B12R1.232 CC1=C(C=C(C(=C1)F)C(=O)O)Br Z1450923293 [1,1,0,0,0,0|2,0,0]=4 772 B12R1.232 CC1=C(C=C(C(=C1)F)C(=O)O)F Z1198176150 [1,1,0,0,0,0|2,0,0]=4 773 B12R1.232 CC1=C(C=C(C(=C1)F)Cl)C(=O)O Z1650054506 [1,1,0,0,0,0|2,0,0]=4 774 B12R1.232 CC1=C(C=C(C(=C1)F)N)C(=O)O Z1262556754 [1,1,0,0,0,0|2,0,0]=4 775 B12R1.232 CC1=C(C=C(C(=C1)N)Br)C(=O)O Z1614605433 [1,1,0,0,0,0|2,0,0]=4 776 B12R1.232 CC1=C(C=C(C(=C1)N)C(=O)O)C Z1198151442 [1,1,0,0,0,0|1,0,0]=3 777 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)Br Z1269111606 [1,1,0,0,0,0|2,0,0]=4 778 B12R1.232 CC1=C(C=C(C(=C1)O)O)C(=O)O Z1255427529 [1,1,0,0,0,0|0,0,0]=2 779 B12R1.232 CC1=C(N=C(C(=C1)Br)C(=O)O)C Z5385032759 [1,1,0,0,0,0|2,0,0]=4 780 B12R1.232 CC1=C(N=C(C(=C1)C(=O)O)Br)C Z1269146422 [1,1,0,0,0,0|2,0,0]=4 781 B12R1.232 CC1=C(N=C(C(=C1)C(=O)O)Cl)C Z1198175193 [1,1,0,0,0,0|2,0,0]=4 782 B12R1.232 CC1=C(N=C(C(=C1)C(=O)O)Cl)Cl Z3464419694 [1,1,0,0,0,0|2,0,0]=4 783 B12R1.232 CC1=C(NC(=O)C(=C1)C(=O)O)C Z839026802 [1,1,0,0,0,0|2,0,0]=4 784 B12R1.232 CC1=CC(=C(C=C1C(=O)O)Br)C Z1450923143 [1,1,0,0,0,0|2,0,0]=4 785 B12R1.232 CC1=CC(=C(C=C1C(=O)O)C)Br Z1203658888 [1,1,0,0,0,0|1,0,0]=3 786 B12R1.232 CC1=CC(=C(C=C1C(=O)O)C)C Z1255438674 [1,1,0,0,0,0|1,0,0]=3 787 B12R1.232 CC1=CC(=C(C=C1C(=O)O)C)Cl Z1201625877 [1,1,0,0,0,0|1,0,0]=3 788 B12R1.232 CC1=CC(=C(C=C1C(=O)O)I)C Z1269218402 [1,1,0,0,0,0|2,0,0]=4 789 B12R1.232 CC1=CC(=C(C=C1C(=O)O)N)C Z954595614 [1,1,0,0,0,0|2,0,0]=4 790 B12R1.232 CC1=CC(=C(C=C1[N+](=O)[O-])C)O Z235351527 [1,1,0,0,0,0|1,0,1]=4 791 B12R1.232 CC1=CC(=O)C(=CN1C)C(=O)O Z1198177173 [1,1,0,0,0,0|2,0,0]=4 792 B12R1.232 CC1=CC(=O)N(C=C1C(=O)O)C Z4987422234 [1,1,0,0,0,0|1,0,1]=4 793 B12R1.232 CC1=NC(=C(C=C1C(=O)O)C)C Z1262520905 [1,1,0,0,0,0|2,0,0]=4 794 B12R1.232 CC1=NC(=C(C=C1N)C)C(=O)O Z3271322270 [1,1,0,0,0,0|2,0,0]=4 795 B12R1.232 NC1=C(C=C(C(=C1)Br)Br)C(=O)O Z89264939 [1,1,0,0,0,0|2,0,0]=4 796 B12R1.232 NC1=C(C=C(C(=C1)Br)F)C(=O)O Z1269239383 [1,1,0,0,0,0|2,0,0]=4 797 B12R1.232 NC1=C(C=C(C(=C1)C(=O)O)Br)Cl Z1269171992 [1,1,0,0,0,0|2,0,0]=4 798 B12R1.232 NC1=C(C=C(C(=C1)C(=O)O)F)F Z425453002 [1,1,0,0,0,0|2,0,0]=4 799 B12R1.232 NC1=C(C=C(C(=C1)Cl)Cl)C(=O)O Z1269194034 [1,1,0,0,0,0|2,0,0]=4 800 B12R1.232 NC1=C(C=C(C(=C1)Cl)I)C(=O)O Z1681336195 [1,1,0,0,0,0|2,0,0]=4 801 B12R1.232 NC1=C(C=C(C(=C1)F)Br)C(=O)O Z1029457826 [1,1,0,0,0,0|2,0,0]=4 802 B12R1.232 NC1=C(C=C(C(=C1)F)C(=O)O)Cl Z1262559064 [1,1,0,0,0,0|2,0,0]=4 803 B12R1.232 NC1=C(C=C(C(=C1)F)C(=O)O)F Z1198167170 [1,1,0,0,0,0|2,0,0]=4 804 B12R1.232 NC1=C(C=C(C(=C1)F)C(=O)O)N Z1255359006 [1,1,0,0,0,0|2,0,0]=4 805 B12R1.232 NC1=C(C=C(C(=C1)F)Cl)C(=O)O Z1198234893 [1,1,0,0,0,0|2,0,0]=4 806 B12R1.232 NC1=C(C=C(C(=C1)F)F)C(=O)O Z362758702 [1,1,0,0,0,0|2,0,0]=4 807 B12R1.232 NC1=C(C=C(C(=C1)F)O)C(=O)O Z905174978 [1,1,0,0,0,0|1,0,0]=3 808 B12R1.232 O=C(O)C1=C(C=C(C(=C1)Br)F)Cl Z1450923101 [1,1,0,0,0,0|2,0,0]=4 809 B12R1.232 O=C(O)C1=C(C=C(C(=C1)Br)F)F Z1269207518 [1,1,0,0,0,0|2,0,0]=4 810 B12R1.232 O=C(O)C1=C(C=C(C(=C1)Br)F)I Z1450923043 [1,1,0,0,0,0|2,0,0]=4 811 B12R1.232 O=C(O)C1=C(C=C(C(=C1)Br)F)O Z1269213699 [1,1,0,0,0,0|2,0,0]=4 812 B12R1.232 O=C(O)C1=C(C=C(C(=C1)Br)O)F Z1939443092 [1,1,0,0,0,0|1,0,0]=3 813 B12R1.232 O=C(O)C1=C(C=C(C(=C1)Cl)Br)F Z1269228274 [1,1,0,0,0,0|2,0,0]=4 814 B12R1.232 O=C(O)C1=C(C=C(C(=C1)Cl)F)Br Z1450943879 [1,1,0,0,0,0|2,0,0]=4 815 B12R1.232 O=C(O)C1=C(C=C(C(=C1)Cl)F)Cl Z1450943901 [1,1,0,0,0,0|2,0,0]=4 816 B12R1.232 O=C(O)C1=C(C=C(C(=C1)Cl)F)I Z1450943854 [1,1,0,0,0,0|2,0,0]=4 817 B12R1.232 O=C(O)C1=C(C=C(C(=C1)Cl)F)O Z1262517120 [1,1,0,0,0,0|2,0,0]=4 818 B12R1.232 O=C(O)C1=C(C=C(C(=C1)Cl)I)F Z3325789422 [1,1,0,0,0,0|2,0,0]=4 819 B12R1.232 O=C(O)C1=C(C=C(C(=C1)F)Br)Cl Z1269235353 [1,1,0,0,0,0|2,0,0]=4 820 B12R1.232 O=C(O)C1=C(C=C(C(=C1)F)Br)F Z1203660652 [1,1,0,0,0,0|2,0,0]=4 821 B12R1.232 O=C(O)C1=C(C=C(C(=C1)F)Br)O Z1726073409 [1,1,0,0,0,0|2,0,0]=4 822 B12R1.232 O=C(O)C1=C(C=C(C(=C1)F)Cl)Cl Z104509126 [1,1,0,0,0,0|2,0,0]=4 823 B12R1.232 O=C(O)C1=C(C=C(C(=C1)F)Cl)F Z1203161787 [1,1,0,0,0,0|2,0,0]=4 824 B12R1.232 O=C(O)C1=C(C=C(C(=C1)F)F)Br Z1269235585 [1,1,0,0,0,0|2,0,0]=4 825 B12R1.232 O=C(O)C1=C(C=C(C(=C1)F)F)Cl Z104476586 [1,1,0,0,0,0|2,0,0]=4 826 B12R1.232 O=C(O)C1=C(C=C(C(=C1)F)F)F Z1203162173 [1,1,0,0,0,0|2,0,0]=4 827 B12R1.232 O=C(O)C1=C(C=C(C(=C1)F)F)I Z1029452572 [1,1,0,0,0,0|2,0,0]=4 828 B12R1.232 O=C(O)C1=C(C=C(C(=C1)F)F)O Z1255417211 [1,1,0,0,0,0|2,0,0]=4 829 B12R1.232 O=C(O)C1=C(C=C(C(=C1)I)Cl)Cl Z1450923128 [1,1,0,0,0,0|2,0,0]=4 830 B12R1.232 O=C(O)C1=C(C=C(C(=C1)I)F)F Z1269228563 [1,1,0,0,0,0|2,0,0]=4 831 B12R1.367 CC1=C(C=C(C=C1)C(=O)CBr)C Z56881219 [1,1,0,0,0,0|2,0,0]=4 832 B12R1.367 CC1=C(C=C(C=C1)C(=O)CCl)C Z56891233 [1,1,0,0,0,0|2,0,0]=4 833 B12R1.367 CC1=C(C=C(C=C1)C(=O)NO)O Z317038076 [1,1,0,0,0,0|1,0,0]=3 834 B12R1.367 CC1=C(C=CC(=C1)/C(=N/O)/N)F Z241067854 [1,1,0,0,0,0|2,0,0]=4 835 B12R1.367 CC1=C(C=CC(=C1)C(=O)C=O)F Z1198178432 [1,1,0,0,0,0|1,0,1]=4 836 B12R1.367 CC1=C(C=CC(=C1)C(=O)CCl)F Z1255486882 [1,1,0,0,0,0|2,0,0]=4 837 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)F Z1255468561 [1,1,0,0,0,0|2,0,0]=4 838 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)N Z2177031047 [1,1,0,0,0,0|2,0,0]=4 839 B12R1.367 CNC(=O)C1=CC(=C(C=C1)C)C Z32016830 [1,1,0,0,0,0|2,0,0]=4 840 B12R1.367 CNC(=O)C1=CC(=C(C=C1)I)C Z1119025243 [1,1,0,0,0,0|2,0,0]=4 841 B12R1.367 CNC(=O)C1=CC(=C(C=C1)N)C Z239124740 [1,1,0,0,0,0|2,0,0]=4 842 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)Br Z1269194715 [1,1,0,0,0,0|2,0,0]=4 843 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)N Z104483958 [1,1,0,0,0,0|2,0,0]=4 844 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)O Z293101132 [1,1,0,0,0,0|1,0,0]=3 845 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)Cl Z19801006 [1,1,0,0,0,0|2,0,0]=4 846 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)N Z53836840 [1,1,0,0,0,0|2,0,0]=4 847 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)C Z1098328360 [1,1,0,0,0,0|1,0,0]=3 848 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)N Z235344925 [1,1,0,0,0,0|2,0,0]=4 849 B12R1.367 COC(=O)C1=CC(=C(C=C1)I)O Z1269171510 [1,1,0,0,0,0|1,0,0]=3 850 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)Br Z57468480 [1,1,0,0,0,0|2,0,0]=4 851 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)C Z235351515 [1,1,0,0,0,0|1,0,0]=3 852 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)Cl Z1243607759 [1,1,0,0,0,0|2,0,0]=4 853 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)I Z1269124704 [1,1,0,0,0,0|2,0,0]=4 854 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O Z594210650 [1,1,0,0,0,0|1,0,0]=3 855 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)Br Z111782420 [1,1,0,0,0,0|1,0,0]=3 856 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)Cl Z25120254 [1,1,0,0,0,0|1,0,0]=3 857 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)F Z1198152178 [1,1,0,0,0,0|1,0,0]=3 858 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N Z802838774 [1,1,0,0,0,0|1,0,0]=3 859 B12R1.367 COC(=O)C1=CC(=C(N=C1)N)C Z1255388174 [1,1,0,0,0,0|2,0,0]=4 860 B12R1.367 COC(=O)C1=CC(=C(N=C1)N)O Z1255402198 [1,1,0,0,0,0|2,0,0]=4 861 B12R1.367 COC(=O)C1=CC(=C(N=C1)O)I Z1269115281 [1,1,0,0,0,0|2,0,0]=4 862 B12R1.367 COC(=O)C1=NC(=C(C=C1)F)C Z1255467152 [1,1,0,0,0,0|2,0,0]=4 863 B12R1.367 COC(=O)C1=NC(=C(C=C1)O)N Z3327465872 [1,1,0,0,0,0|2,0,0]=4 864 B12R1.367 COC(=O)C1=NN=C(C(=C1)C)O Z4151910860 [1,1,0,0,0,0|2,0,0]=4 865 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)O Z56912624 [1,1,0,0,0,0|1,0,0]=3 866 B12R1.367 O=C(CO)C1=CC(=C(C=C1)Cl)Cl Z228585652 [1,1,0,0,0,0|2,0,0]=4 867 B12R1.893 CC(=O)C1=C(C(=C(C=C1)C)C)O Z1094698502 [1,1,0,0,0,0|2,0,0]=4 868 B12R1.893 CC(=O)C1=C(C(=C(C=C1)F)O)F Z1255444801 [1,1,0,0,0,0|2,0,0]=4 869 B12R1.893 CC(=O)C1=C(C(=C(C=C1)O)O)O Z57124116 [1,1,0,0,0,0|1,0,0]=3 870 B12R1.893 CC1=C(C(=C(C=C1)C(=O)O)C)Br Z1617987864 [1,1,0,0,0,0|2,0,0]=4 871 B12R1.893 CC1=C(C(=C(C=C1)C(=O)O)Cl)C Z1262535260 [1,1,0,0,0,0|1,0,0]=3 872 B12R1.893 CC1=C(C(=C(C=C1)C(=O)O)Cl)Cl Z1509047169 [1,1,0,0,0,0|2,0,0]=4 873 B12R1.893 CC1=C(C(=C(C=C1)C(=O)O)F)Cl Z1681354639 [1,1,0,0,0,0|2,0,0]=4 874 B12R1.893 CC1=C(C(=C(C=C1)C(=O)O)F)F Z1201621226 [1,1,0,0,0,0|2,0,0]=4 875 B12R1.893 CC1=C(C(=C(C=C1)C(=O)O)N)Br Z1269155151 [1,1,0,0,0,0|2,0,0]=4 876 B12R1.893 CC1=C(C(=C(C=C1)C(=O)O)N)Cl Z1262523764 [1,1,0,0,0,0|2,0,0]=4 877 B12R1.893 CC1=C(C(=C(C=C1)C(=O)O)O)Br Z2733309456 [1,1,0,0,0,0|2,0,0]=4 878 B12R1.893 CC1=C(C(=C(C=C1)C(=O)O)O)C Z367679308 [1,1,0,0,0,0|1,0,0]=3 879 B12R1.893 CC1=C(C(=C(C=C1)C(=O)O)O)O Z367679376 [1,1,0,0,0,0|1,0,0]=3 880 B12R1.893 CC1=C(C(=CC=C1F)C(=O)O)Cl Z1255416559 [1,1,0,0,0,0|1,0,0]=3 881 B12R1.893 CC1=C(C(=CC=C1N)C(=O)O)Cl Z1255432392 [1,1,0,0,0,0|1,0,0]=3 882 B12R1.893 CC1=C(C=CC(=C1C)C(=O)O)N Z1198164173 [1,1,0,0,0,0|1,0,0]=3 883 B12R1.893 CC1=C(C=CC(=C1C)C(=O)O)O Z1262516396 [1,1,0,0,0,0|0,0,0]=2 884 B12R1.893 CC1=C(C=CC(=C1Cl)Br)C(=O)O Z1269218350 [1,1,0,0,0,0|2,0,0]=4 885 B12R1.893 CC1=C(C=CC(=C1Cl)C(=O)O)I Z3325789687 [1,1,0,0,0,0|1,0,0]=3 886 B12R1.893 CC1=C(C=CC(=C1Cl)Cl)C(=O)O Z1269122266 [1,1,0,0,0,0|2,0,0]=4 887 B12R1.893 CC1=C(C=CC(=C1F)Br)C(=O)O Z1269119044 [1,1,0,0,0,0|2,0,0]=4 888 B12R1.893 CC1=C(C=CC(=C1F)C(=O)O)Br Z1416171908 [1,1,0,0,0,0|1,0,0]=3 889 B12R1.893 CC1=C(C=CC(=C1N)C(=O)O)Br Z1037345876 [1,1,0,0,0,0|1,0,0]=3 890 B12R1.893 CC1=C(C=CC(=C1N)C(=O)O)Cl Z104343432 [1,1,0,0,0,0|1,0,0]=3 891 B12R1.893 CC1=C(C=CC(=C1N)C(=O)O)F Z838919140 [1,1,0,0,0,0|1,0,0]=3 892 B12R1.893 CC1=C(C=CC(=C1O)C(=O)O)Cl Z1504689054 [1,1,0,0,0,0|1,0,0]=3 893 B12R1.893 NC1=C(C(=C(C=C1)C(=O)O)Br)F Z1946017998 [1,1,0,0,0,0|2,0,0]=4 894 B12R1.893 NC1=C(C(=C(C=C1)C(=O)O)F)F Z1255450748 [1,1,0,0,0,0|2,0,0]=4 895 B12R1.893 NC1=C(C(=CC=C1Cl)C(=O)O)Cl Z1269241194 [1,1,0,0,0,0|2,0,0]=4 896 B12R1.893 NC1=C(C(=CC=C1F)C(=O)O)F Z4943117279 [1,1,0,0,0,0|2,0,0]=4 897 B12R1.893 NC1=C(C=CC(=C1Cl)Cl)C(=O)O Z362758768 [1,1,0,0,0,0|2,0,0]=4 898 B12R1.893 NC1=C(C=CC(=C1Cl)F)C(=O)O Z2079916376 [1,1,0,0,0,0|2,0,0]=4 899 B12R1.893 NC1=C(C=CC(=C1F)Cl)C(=O)O Z362758814 [1,1,0,0,0,0|2,0,0]=4 900 B12R1.893 NC1=C(C=CC(=C1F)F)C(=O)O Z756095206 [1,1,0,0,0,0|2,0,0]=4 901 B12R1.893 NC1=C(C=CC(=C1O)Cl)C(=O)O Z1262513945 [1,1,0,0,0,0|1,0,0]=3 902 B12R1.893 O=C(O)C1=C(C(=C(C=C1)Br)Cl)F Z1269229072 [1,1,0,0,0,0|2,0,0]=4 903 B12R1.893 O=C(O)C1=C(C(=C(C=C1)Br)F)F Z1269137994 [1,1,0,0,0,0|2,0,0]=4 904 B12R1.893 O=C(O)C1=C(C(=C(C=C1)Cl)Cl)Cl Z1269141366 [1,1,0,0,0,0|2,0,0]=4 905 B12R1.893 O=C(O)C1=C(C(=C(C=C1)Cl)Cl)O Z367679256 [1,1,0,0,0,0|2,0,0]=4 906 B12R1.893 O=C(O)C1=C(C(=C(C=C1)Cl)F)F Z1198172117 [1,1,0,0,0,0|2,0,0]=4 907 B12R1.893 O=C(O)C1=C(C(=C(C=C1)Cl)F)O Z1504674334 [1,1,0,0,0,0|2,0,0]=4 908 B12R1.893 O=C(O)C1=C(C(=C(C=C1)F)Cl)F Z1201621173 [1,1,0,0,0,0|2,0,0]=4 909 B12R1.893 O=C(O)C1=C(C(=C(C=C1)F)F)F Z1192357319 [1,1,0,0,0,0|2,0,0]=4 910 B12R1.893 O=C(O)C1=C(C(=C(C=C1)F)O)F Z1198170692 [1,1,0,0,0,0|1,0,0]=3 911 B12R1.893 O=C(O)C1=C(C(=C(C=C1)O)F)F Z1201621018 [1,1,0,0,0,0|1,0,0]=3 912 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)C)F)C Z1247368644 [1,1,0,0,0,0|2,0,0]=4 913 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)C)O)O Z1513616099 [1,1,0,0,0,0|1,0,0]=3 914 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)N)O)F Z2865634737 [1,1,0,0,0,0|2,0,0]=4 915 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)O)O)O Z1255416032 [1,1,0,0,0,0|1,0,0]=3 916 B12R1.1005 CC1=C(C(=CC(=C1)C(=O)N)Cl)Br Z2032282752 [1,1,0,0,0,0|2,0,0]=4 917 B12R1.1005 CC1=C(C(=CC(=C1)C(=O)O)Br)C Z1450923009 [1,1,0,0,0,0|1,0,0]=3 918 B12R1.1005 CC1=C(C(=CC(=C1)C(=O)O)Cl)Br Z1551943705 [1,1,0,0,0,0|1,0,0]=3 919 B12R1.1005 CC1=C(C(=CC(=C1)C(=O)O)F)C Z1681375428 [1,1,0,0,0,0|1,0,0]=3 920 B12R1.1005 CC1=C(C(=CC(=C1)C(=O)O)N)Cl Z3137491565 [1,1,0,0,0,0|1,0,0]=3 921 B12R1.1005 CC1=C(C(=CC(=C1)C(=O)O)N)O Z3098876941 [1,1,0,0,0,0|0,0,0]=2 922 B12R1.1005 CC1=C(C(=NC(=C1)C(=O)O)Cl)Br Z5094273978 [1,1,0,0,0,0|2,0,0]=4 923 B12R1.1005 CC1=C(C=C(C=C1Br)C(=O)O)I Z1456153987 [1,1,0,0,0,0|2,0,0]=4 924 B12R1.1005 CC1=C(C=C(C=C1F)C(=O)O)I Z1269199596 [1,1,0,0,0,0|2,0,0]=4 925 B12R1.1005 CC1=C(C=C(C=C1N)C(=O)O)N Z237523054 [1,1,0,0,0,0|2,0,0]=4 926 B12R1.1005 CC1=CC(=CC(=C1Br)C)C(=O)O Z1269202538 [1,1,0,0,0,0|1,0,0]=3 927 B12R1.1005 CC1=CC(=CC(=C1C)C)C(=O)O Z1198151785 [1,1,0,0,0,0|1,0,0]=3 928 B12R1.1005 CC1=CC(=CC(=C1F)C)C(=O)O Z527397744 [1,1,0,0,0,0|1,0,0]=3 929 B12R1.1005 CC1=CC(=CN(C1=O)C)C(=O)O Z1216840351 [1,1,0,0,0,0|1,0,1]=4 930 B12R1.1005 NC1=C(C(=CC(=C1)C(=O)O)F)Br Z1079174730 [1,1,0,0,0,0|2,0,0]=4 931 B12R1.1005 NC1=C(C(=CC(=C1)C(=O)O)F)O Z2719327202 [1,1,0,0,0,0|1,0,0]=3 932 B12R1.1005 NC1=C(C(=CC(=C1)C(=O)O)O)Cl Z1262544602 [1,1,0,0,0,0|1,0,0]=3 933 B12R1.1005 NC1=C(C(=NC(=C1)C(=O)O)O)Cl Z1262528000 [1,1,0,0,0,0|2,0,0]=4 934 B12R1.1005 NC1=C(C=C(C=C1Br)C(=O)O)Br Z1269109260 [1,1,0,0,0,0|2,0,0]=4 935 B12R1.1005 NC1=C(C=C(C=C1Cl)C(=O)O)Cl Z1269189983 [1,1,0,0,0,0|2,0,0]=4 936 B12R1.1005 NC1=C(C=C(C=C1F)C(=O)O)F Z1097087866 [1,1,0,0,0,0|2,0,0]=4 937 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Br)O)Br Z1269227546 [1,1,0,0,0,0|1,0,0]=3 938 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Cl)Br)Cl Z1269216347 [1,1,0,0,0,0|2,0,0]=4 939 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)F)Br)Cl Z1269185562 [1,1,0,0,0,0|2,0,0]=4 940 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)F)F)F Z1080514246 [1,1,0,0,0,0|2,0,0]=4 941 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)F)I)F Z1681355594 [1,1,0,0,0,0|2,0,0]=4 942 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)F)O)Br Z2310160029 [1,1,0,0,0,0|1,0,0]=3 943 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)F)O)Cl Z1262519254 [1,1,0,0,0,0|1,0,0]=3 944 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)F)O)F Z1097087058 [1,1,0,0,0,0|1,0,0]=3 945 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)I)I)I Z1269124794 [1,1,0,0,0,0|2,0,0]=4 946 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)O)O Z104501122 [1,1,0,0,0,0|0,0,0]=2 947 B12R1.1005 O=C(O)C1=CN(C(=O)C(=C1)Br)O Z3477911537 [1,1,0,0,0,0|1,0,1]=4 948 B12R1.11 C#CC1=CC(=CC(=C1)C(=O)O)Br Z1813097898 [1,1,0,0,0,0|1,0,1]=4 949 B12R1.11 C#CC1=CC(=CC(=C1)C(=O)O)F Z2049562225 [1,1,0,0,0,0|1,0,1]=4 950 B12R1.11 C#CC1=CC(=CC(=C1)C(=O)O)N Z4801985035 [1,1,0,0,0,0|1,0,1]=4 951 B12R1.11 CC1=CC(=CC(=C1)C=O)C(=O)O Z1262528438 [1,1,0,0,0,0|2,0,0]=4 952 B12R1.11 CCC1=CC(=CC(=C1)N)C(=O)O Z1255430776 [1,1,0,0,0,0|1,0,0]=3 953 B12R1.11 CCC1=CC(=CC(=O)N1)C(=O)O Z1198320047 [1,1,0,0,0,0|2,0,0]=4 954 B12R1.11 CCC1=NC(=CC(=C1)C(=O)O)Cl Z1255421058 [1,1,0,0,0,0|2,0,0]=4 955 B12R1.11 CNC1=NC(=CC(=C1)C(=O)O)Cl Z385470286 [1,1,0,0,0,0|2,0,0]=4 956 B12R1.11 COC1=CC(=CC(=C1)Br)C(=O)O Z1269197290 [1,1,0,0,0,0|0,0,0]=2 957 B12R1.11 COC1=CC(=CC(=C1)Br)[N+](=O)[O-] Z1065885488 [1,1,0,0,0,0|1,0,1]=4 958 B12R1.11 COC1=CC(=CC(=C1)Cl)C(=O)C Z1551958187 [1,1,0,0,0,0|1,0,0]=3 959 B12R1.11 COC1=CC(=CC(=C1)Cl)C(=O)O Z1255488484 [1,1,0,0,0,0|0,0,0]=2 960 B12R1.11 COC1=CC(=CC(=C1)F)B(O)O Z1201623979 [1,1,0,0,0,0|1,0,1]=4 961 B12R1.11 COC1=CC(=CC(=C1)O)C(=O)O Z1198169196 [1,1,0,0,0,0|0,0,0]=2 962 B12R1.11 COC1=CC(=NC(=C1)C)C(=O)O Z4990375320 [1,1,0,0,0,0|1,0,0]=3 963 B12R1.11 COC1=NC(=CC(=O)N1)C(=O)O Z1708089997 [1,1,0,0,0,0|2,0,0]=4 964 B12R1.11 CSC1=CC(=CC(=C1)Cl)C(=O)O Z1508925199 [1,1,0,0,0,0|0,1,0]=3 965 B12R1.11 CSC1=NC(=CC(=C1)C(=O)O)Cl Z732206900 [1,1,0,0,0,0|1,1,0]=4 966 B12R1.11 O=CC1=CC(=CC(=C1)C(=O)O)Br Z1551960208 [1,1,0,0,0,0|2,0,0]=4 967 B12R1.11 O=CC1=CC(=CC(=C1)C(=O)O)Cl Z1262556297 [1,1,0,0,0,0|2,0,0]=4 968 B12R1.11 O=CC1=CC(=CC(=C1)C(=O)O)O Z1255441210 [1,1,0,0,0,0|2,0,0]=4 969 B12R1.258 CC(=O)C1=CC(=CC=C1)C(=O)O Z1203161684 [1,1,0,0,0,0|1,0,0]=3 970 B12R1.258 CC(=O)C1=CC(=CN=C1)C(=O)O Z1255382323 [1,1,0,0,0,0|2,0,0]=4 971 B12R1.258 CC(C)C1=CC(=CC=C1)C(=O)O Z1171158000 [1,1,0,0,0,0|1,0,0]=3 972 B12R1.258 CC(C)C1=CC(=CN=C1)C(=O)O Z3854252237 [1,1,0,0,0,0|2,0,0]=4 973 B12R1.258 CC(C)C1=NC(=CC=C1)C(=O)O Z1255449261 [1,1,0,0,0,0|2,0,0]=4 974 B12R1.258 CN(C)C1=CC(=CC=C1)C(=O)O Z104476962 [1,1,0,0,0,0|1,0,0]=3 975 B12R1.258 CN(C)C1=CC(=CN=C1)C(=O)O Z1198165176 [1,1,0,0,0,0|2,0,0]=4 976 B12R1.258 CN(C)C1=CC(=NC=C1)C(=O)O Z234895477 [1,1,0,0,0,0|2,0,0]=4 977 B12R1.258 CN(C)C1=NC=CC(=C1)C(=O)O Z285782398 [1,1,0,0,0,0|2,0,0]=4 978 B12R1.258 CS(=O)C1=CC(=CC=C1)C(=O)O Z1198340914 [1,1,0,0,0,0|0,1,0]=3 979 B12R1.258 NC(=O)C1=CC(=CC=C1)C(=O)O Z295886826 [1,1,0,0,0,0|2,0,0]=4 980 B12R1.258 NC(=S)C1=CC(=CC=C1)C(=O)O Z404889430 [1,1,0,0,0,0|2,0,0]=4 981 B12R1.258 O=C(O)C1=CC(=CC=C1)C(F)F Z1117882789 [1,1,0,0,0,0|2,0,0]=4 982 B12R1.258 O=C(O)C1=CC(=CC=C1)[N+](=O)[O-] Z57127479 [1,1,0,0,0,0|2,0,0]=4 983 B12R1.258 O=C(O)C1=CC=CC(=C1)B(O)O Z1203161777 [1,1,0,0,0,0|2,0,0]=4 984 B12R1.258 O=C(O)C1=CC=CC(=C1)C(=O)O Z104475158 [1,1,0,0,0,0|2,0,0]=4 985 B12R1.279 CCCC1=NC=CC(=C1)C(=O)O Z1198175147 [1,1,0,0,0,0|2,0,0]=4 986 B12R1.279 CCNC1=CC(=CC=C1)C(=O)O Z3875496023 [1,1,0,0,0,0|1,0,0]=3 987 B12R1.279 CCNC1=CC(=CN=C1)C(=O)O Z1509050724 [1,1,0,0,0,0|2,0,0]=4 988 B12R1.279 CCNC1=NC=CC(=C1)C(=O)O Z227823010 [1,1,0,0,0,0|2,0,0]=4 989 B12R1.279 CCOC1=CC(=CC=C1)B(O)O Z336079740 [1,1,0,0,0,0|1,0,1]=4 990 B12R1.279 CCOC1=CC(=CC=C1)C(=N)N Z1268152274 [1,1,0,0,0,0|2,0,0]=4 991 B12R1.279 CCOC1=CC(=CC=C1)C(=O)C Z54179676 [1,1,0,0,0,0|1,0,0]=3 992 B12R1.279 CCOC1=CC(=CC=C1)C(=O)N Z274459672 [1,1,0,0,0,0|1,0,0]=3 993 B12R1.279 CCOC1=CC(=CC=C1)C(=O)O Z111782446 [1,1,0,0,0,0|0,0,0]=2 994 B12R1.279 CCOC1=CC(=CC=C1)C(=S)N Z56979299 [1,1,0,0,0,0|1,1,0]=4 995 B12R1.279 CCOC1=NC=CC(=C1)C(=O)O Z319446996 [1,1,0,0,0,0|1,0,0]=3 996 B12R1.279 CCSC1=CC(=CC=C1)C(=O)O Z1201631366 [1,1,0,0,0,0|0,1,0]=3 997 B12R1.279 CCSC1=NC=CC(=C1)C(=O)O Z332377496 [1,1,0,0,0,0|1,1,0]=4 998 B12R1.279 CNCC1=CC(=CC=C1)C(=O)N Z752989064 [1,1,0,0,0,0|2,0,0]=4 999 B12R1.279 COCC1=CC(=CC=C1)C(=O)N Z101185906 [1,1,0,0,0,0|1,0,0]=3 1000 B12R1.279 COCC1=CC(=CC=C1)C(=O)O Z90122375 [1,1,0,0,0,0|0,0,0]=2 1001 B12R1.279 COCC1=CC(=CN=C1)C(=O)O Z1255438067 [1,1,0,0,0,0|1,0,0]=3 1002 B12R1.279 COCC1=CC(=NC=C1)C(=O)O Z5027778944 [1,1,0,0,0,0|1,0,0]=3 1003 B12R1.279 CSCC1=CC(=CC=C1)C(=O)O Z90122372 [1,1,0,0,0,0|0,1,0]=3 1004 B12R1.279 N#CCC1=CC=CC(=C1)C(=O)O Z274531452 [1,1,0,0,0,0|1,0,1]=4 1005 B12R1.279 NCCC1=CC(=CC=C1)C(=O)N Z1262327414 [1,1,0,0,0,0|2,0,0]=4 1006 B12R1.279 NCCC1=CC(=CC=C1)C(=O)O Z1245633941 [1,1,0,0,0,0|1,0,0]=3 1007 B12R1.279 NCCC1=NC(=CC=C1)C(=O)O Z1813090259 [1,1,0,0,0,0|2,0,0]=4 1008 B12R1.435 CCC(=O)C1=CC(=CC=C1)OC Z513732528 [1,1,0,0,0,0|1,0,0]=3 1009 B12R1.435 CCC(O)C1=CC(=CC=C1)OC Z513748112 [1,1,0,0,0,0|1,0,1]=4 1010 B12R1.435 CNC(=O)C1=CC(=CC=C1)NC Z2831446214 [1,1,0,0,0,0|2,0,0]=4 1011 B12R1.435 CNC(=O)C1=CC(=CC=C1)OC Z32016549 [1,1,0,0,0,0|1,0,0]=3 1012 B12R1.435 CNC1=CC(=CC=C1)C(=O)OC Z1082871350 [1,1,0,0,0,0|1,0,0]=3 1013 B12R1.435 COC(=O)C1=CC(=CC=C1)C#N Z24765807 [1,1,0,0,0,0|2,0,0]=4 1014 B12R1.435 COC(=O)C1=CC(=CC=C1)C=O Z1255415803 [1,1,0,0,0,0|2,0,0]=4 1015 B12R1.435 COC(=O)C1=CC(=CC=C1)CBr Z56989676 [1,1,0,0,0,0|2,0,0]=4 1016 B12R1.435 COC(=O)C1=CC(=CC=C1)CN Z1421530097 [1,1,0,0,0,0|2,0,0]=4 1017 B12R1.435 COC(=O)C1=CC(=CC=C1)CO Z431953134 [1,1,0,0,0,0|2,0,0]=4 1018 B12R1.435 COC(=O)C1=CC(=CC=C1)OC Z18352701 [1,1,0,0,0,0|0,0,0]=2 1019 B12R1.435 COC(=O)C1=CC(=CN=C1)OC Z1255443133 [1,1,0,0,0,0|1,0,0]=3 1020 B12R1.435 COC(=O)C1=NC(=CC=C1)OC Z1255489919 [1,1,0,0,0,0|1,0,0]=3 1021 B12R1.435 COC(=O)C1=NC(=CC=C1)SC Z1618110328 [1,1,0,0,0,0|1,1,0]=4 1022 B12R1.435 COC1=CC(=CC=C1)C(=O)CBr Z104482198 [1,1,0,0,0,0|1,0,0]=3 1023 B12R1.435 COC1=CC(=CC=C1)C(=O)CCl Z440619268 [1,1,0,0,0,0|1,0,0]=3 1024 B12R1.435 COC1=CC(=CC=C1)C(=O)CN Z2242140910 [1,1,0,0,0,0|1,0,0]=3 1025 B12R1.435 COC1=CC(=CC=C1)C(=O)NN Z58981865 [1,1,0,0,0,0|1,0,0]=3 1026 B12R1.435 COC1=CC(=CC=C1)C(C)C=O Z1255385344 [1,1,0,0,0,0|1,0,1]=4 1027 B12R1.435 COC1=CC(=CC=C1)C(N)CO Z385458538 [1,1,0,0,0,0|1,0,1]=4 1028 B12R1.435 COC1=CC(=CC=C1)C(O)CO Z1416170023 [1,1,0,0,0,0|0,0,2]=4 1029 B12R1.435 N#CC1=CC=CC(=C1)C(=O)CO Z1469782360 [1,1,0,0,0,0|2,0,0]=4 1030 B12R1.436 COC1=CC(=CC=C1)S(=O)(=O)N Z234895027 [1,1,0,0,0,0|1,0,1]=4 1031 B12R1.440 CC1=C(C=CC=C1C#N)C(=O)O Z1255453572 [1,1,0,0,0,0|2,0,0]=4 1032 B12R1.440 CC1=C(C=CC=C1CO)C(=O)O Z1486035448 [1,1,0,0,0,0|2,0,0]=4 1033 B12R1.440 CCC1=C(C(=CC=C1)C(=O)O)F Z1255430783 [1,1,0,0,0,0|1,0,0]=3 1034 B12R1.440 CCC1=C(C(=CC=C1)C(=O)O)N Z2327039978 [1,1,0,0,0,0|1,0,0]=3 1035 B12R1.440 CCC1=C(C(=CC=C1)C(=O)O)O Z367679250 [1,1,0,0,0,0|1,0,0]=3 1036 B12R1.440 CNC1=C(C(=CC=N1)C(=O)O)N Z1267840556 [1,1,0,0,0,0|2,0,0]=4 1037 B12R1.440 COC1=C(C(=CC=C1)B(O)O)Cl Z1201626818 [1,1,0,0,0,0|1,0,1]=4 1038 B12R1.440 COC1=C(C(=CC=C1)B(O)O)F Z1203162315 [1,1,0,0,0,0|1,0,1]=4 1039 B12R1.440 COC1=C(C(=CC=C1)C(=O)C)O Z1255428654 [1,1,0,0,0,0|1,0,0]=3 1040 B12R1.440 COC1=C(C(=CC=C1)C(=O)N)N Z1198223462 [1,1,0,0,0,0|1,0,0]=3 1041 B12R1.440 COC1=C(C(=CC=C1)C(=O)N)O Z57032585 [1,1,0,0,0,0|1,0,0]=3 1042 B12R1.440 COC1=C(C(=CC=C1)C(=O)O)Cl Z1255461970 [1,1,0,0,0,0|0,0,0]=2 1043 B12R1.440 COC1=C(C(=CC=C1)C(=O)O)F Z1201621660 [1,1,0,0,0,0|0,0,0]=2 1044 B12R1.440 COC1=C(C(=CC=C1)C(=O)O)O Z104500498 [1,1,0,0,0,0|0,0,0]=2 1045 B12R1.440 COC1=C(C(=CC=C1)[N+](=O)[O-])N Z57160133 [1,1,0,0,0,0|1,0,1]=4 1046 B12R1.440 COC1=C(C(=CC=N1)C(=O)O)Br Z1269160980 [1,1,0,0,0,0|1,0,0]=3 1047 B12R1.440 COC1=C(C(=CN=C1)C(=O)O)C Z2686261046 [1,1,0,0,0,0|1,0,0]=3 1048 B12R1.440 COC1=C(C(=NC=C1)C(=O)O)Br Z1269237683 [1,1,0,0,0,0|1,0,0]=3 1049 B12R1.440 COC1=C(C(=NC=C1)C(=O)O)F Z3210760418 [1,1,0,0,0,0|1,0,0]=3 1050 B12R1.440 COC1=C(C(=NC=C1)C(=O)O)N Z4966043219 [1,1,0,0,0,0|1,0,0]=3 1051 B12R1.440 COC1=C(C(=NC=N1)C(=O)O)F Z2313525714 [1,1,0,0,0,0|2,0,0]=4 1052 B12R1.440 N#CC1=CC=CC(=C1Br)C(=O)O Z1269144734 [1,1,0,0,0,0|2,0,0]=4 1053 B12R1.440 N#CC1=CC=CC(=C1I)C(=O)O Z1551960102 [1,1,0,0,0,0|2,0,0]=4 1054 B12R1.440 O=CC1=CC=CC(=C1Cl)C(=O)O Z1649775097 [1,1,0,0,0,0|2,0,0]=4 1055 B12R1.440 O=CC1=CC=CC(=C1F)C(=O)O Z1322795747 [1,1,0,0,0,0|2,0,0]=4 1056 B12R1.440 O=CC1=CC=CC(=C1O)C(=O)O Z56756601 [1,1,0,0,0,0|2,0,0]=4 1057 B12R1.453 CC1=C(C=C(C=C1)C#N)C(=O)O Z1255495726 [1,1,0,0,0,0|2,0,0]=4 1058 B12R1.453 CC1=C(C=C(C=C1)C=O)C(=O)O Z1813092023 [1,1,0,0,0,0|2,0,0]=4 1059 B12R1.453 CCC1=CC(=C(C=C1)C)C(=O)O Z1262538890 [1,1,0,0,0,0|1,0,0]=3 1060 B12R1.453 CCC1=CC(=C(C=C1)Cl)C(=O)O Z1201628894 [1,1,0,0,0,0|1,0,0]=3 1061 B12R1.453 CCC1=CC(=C(C=C1)F)C(=O)O Z1255442013 [1,1,0,0,0,0|1,0,0]=3 1062 B12R1.453 CCC1=CC(=C(C=C1)N)C(=O)O Z362758706 [1,1,0,0,0,0|1,0,0]=3 1063 B12R1.453 CCC1=CC(=C(C=C1)O)C(=O)O Z367679272 [1,1,0,0,0,0|1,0,0]=3 1064 B12R1.453 CCC1=CNC(=O)C(=C1)C(=O)O Z994289166 [1,1,0,0,0,0|2,0,0]=4 1065 B12R1.453 CNC1=CC(=C(C=C1)Cl)C(=O)O Z2130643804 [1,1,0,0,0,0|1,0,0]=3 1066 B12R1.453 CNC1=NC=C(C(=C1)C(=O)O)Br Z2153894596 [1,1,0,0,0,0|2,0,0]=4 1067 B12R1.453 COC1=CC(=C(C=C1)Br)C(=O)N Z33545388 [1,1,0,0,0,0|1,0,0]=3 1068 B12R1.453 COC1=CC(=C(C=C1)Br)C(=O)O Z104487486 [1,1,0,0,0,0|0,0,0]=2 1069 B12R1.453 COC1=CC(=C(C=C1)Cl)B(O)O Z838915080 [1,1,0,0,0,0|1,0,1]=4 1070 B12R1.453 COC1=CC(=C(C=C1)Cl)C(=O)O Z1201620273 [1,1,0,0,0,0|0,0,0]=2 1071 B12R1.453 COC1=CC(=C(C=C1)F)B(O)O Z1255391319 [1,1,0,0,0,0|1,0,1]=4 1072 B12R1.453 COC1=CC(=C(C=C1)I)[N+](=O)[O-] Z397593294 [1,1,0,0,0,0|1,0,1]=4 1073 B12R1.453 COC1=CC(=C(C=C1)N)C(=O)O Z594219052 [1,1,0,0,0,0|0,0,0]=2 1074 B12R1.453 COC1=CC(=C(C=C1)N)[N+](=O)[O-] Z104495160 [1,1,0,0,0,0|1,0,1]=4 1075 B12R1.453 COC1=CC(=C(C=C1)O)C(=O)C Z104483744 [1,1,0,0,0,0|1,0,0]=3 1076 B12R1.453 COC1=CC(=C(C=C1)O)C(=O)N Z394696298 [1,1,0,0,0,0|1,0,0]=3 1077 B12R1.453 COC1=CC(=C(C=C1)O)C(=O)O Z104495362 [1,1,0,0,0,0|0,0,0]=2 1078 B12R1.453 COC1=NC(=C(C=C1)C)C(=O)O Z1255390077 [1,1,0,0,0,0|1,0,0]=3 1079 B12R1.453 COC1=NC(=C(C=C1)Cl)C(=O)O Z221432352 [1,1,0,0,0,0|1,0,0]=3 1080 B12R1.453 COC1=NC(=C(C=C1)F)C(=O)O Z1255447688 [1,1,0,0,0,0|1,0,0]=3 1081 B12R1.453 COC1=NC(=C(C=N1)Cl)C(=O)O Z1198170113 [1,1,0,0,0,0|2,0,0]=4 1082 B12R1.453 CSC1=CC(=C(C=C1)C)C(=O)N Z278515262 [1,1,0,0,0,0|1,1,0]=4 1083 B12R1.453 CSC1=CC(=C(C=C1)C)C(=O)O Z255150402 [1,1,0,0,0,0|0,1,0]=3 1084 B12R1.453 CSC1=CC(=C(C=C1)Cl)C(=O)N Z33546773 [1,1,0,0,0,0|1,1,0]=4 1085 B12R1.453 CSC1=CC(=C(C=C1)Cl)C(=O)O Z104495540 [1,1,0,0,0,0|0,1,0]=3 1086 B12R1.453 CSC1=CC(=C(C=C1)O)C(=O)O Z1255431342 [1,1,0,0,0,0|0,1,0]=3 1087 B12R1.453 CSC1=NC(=C(C=C1)Cl)C(=O)O Z732206892 [1,1,0,0,0,0|1,1,0]=4 1088 B12R1.453 N#CC1=CC(=C(C=C1)Br)C(=O)O Z1269112120 [1,1,0,0,0,0|2,0,0]=4 1089 B12R1.453 N#CC1=CC(=C(C=C1)Cl)C(=O)O Z1198304567 [1,1,0,0,0,0|2,0,0]=4 1090 B12R1.453 N#CC1=CC(=C(C=C1)F)C(=O)O Z1255461823 [1,1,0,0,0,0|2,0,0]=4 1091 B12R1.453 N#CC1=CC(=C(C=C1)N)C(=O)O Z1262514273 [1,1,0,0,0,0|2,0,0]=4 1092 B12R1.453 N#CC1=CC(=C(C=C1)O)C(=O)O Z1255393347 [1,1,0,0,0,0|2,0,0]=4 1093 B12R1.453 NNC1=CC(=C(C=C1)Cl)C(=O)O Z56792408 [1,1,0,0,0,0|2,0,0]=4 1094 B12R1.453 O=C(O)C1=C(C=CC(=C1)CO)Cl Z1262523857 [1,1,0,0,0,0|2,0,0]=4 1095 B12R1.453 O=CC1=CC(=C(C=C1)F)C(=O)O Z1201623086 [1,1,0,0,0,0|2,0,0]=4 1096 B12R1.453 O=CC1=CC(=C(C=C1)O)C(=O)O Z1255430994 [1,1,0,0,0,0|2,0,0]=4 1097 B12R1.78 C#CC1=CC(=C(C=C1)OC)OC Z1080385494 [1,1,0,0,0,0|1,0,1]=4 1098 B12R1.78 CCC1=C(C=CC(=C1)C=O)OC Z1201623458 [1,1,0,0,0,0|1,0,0]=3 1099 B12R1.78 CNC1=CC(=C(C=C1)OC)OC Z1259341013 [1,1,0,0,0,0|2,0,0]=4 1100 B12R1.78 COC1=C(C=C(C=C1)C#N)OC Z54604503 [1,1,0,0,0,0|1,0,1]=4 1101 B12R1.78 COC1=C(C=C(C=C1)C=O)C#N Z1255390259 [1,1,0,0,0,0|2,0,0]=4 1102 B12R1.78 COC1=C(C=C(C=C1)C=O)CCl Z275197002 [1,1,0,0,0,0|2,0,0]=4 1103 B12R1.78 COC1=C(C=C(C=C1)C=O)OC Z53837671 [1,1,0,0,0,0|0,0,0]=2 1104 B12R1.78 COC1=C(C=C(C=C1)C=O)SC Z1172375520 [1,1,0,0,0,0|0,1,0]=3 1105 B12R1.78 COC1=C(C=C(C=C1)CO)OC Z104477212 [1,1,0,0,0,0|0,0,1]=3 1106 B12R1.78 COC1=C(C=CC(=C1)C=O)C#N Z1255463475 [1,1,0,0,0,0|1,0,0]=3 1107 B12R1.78 COC1=C(C=CC(=C1)C=O)SC Z906125142 [1,1,0,0,0,0|0,1,0]=3 1108 B12R1.78 COC1=C(N=C(C=C1)C=O)OC Z1201625960 [1,1,0,0,0,0|1,0,0]=3 1109 B12R1.78 COC1=C(N=CC(=C1)C=O)OC Z1201625962 [1,1,0,0,0,0|1,0,0]=3 1110 B12R1.270 C=CCC1=C(C=CC(=C1)C=O)O Z57842085 [1,1,0,0,0,0|1,0,1]=4 1111 B12R1.270 CCOC1=C(C=CC(=C1)C#N)O Z56347599 [1,1,0,0,0,0|1,0,1]=4 1112 B12R1.270 CCOC1=C(C=CC(=C1)C=O)O Z57772443 [1,1,0,0,0,0|0,0,0]=2 1113 B12R1.270 CCOC1=C(C=CC(=C1)CN)O Z1160899481 [1,1,0,0,0,0|1,0,1]=4 1114 B12R1.286 C/C=C/C1=CC(=C(C=C1)O)OC Z57953030 [1,1,0,0,0,0|1,0,0]=3 1115 B12R1.286 C=CCC1=CC(=C(C=C1)O)OC Z56347226 [1,1,0,0,0,0|1,0,0]=3 1116 B12R1.286 CNCC1=CC(=C(C=C1)O)OC Z425387552 [1,1,0,0,0,0|1,0,1]=4 1117 B12R1.286 COC1=C(C=CC(=C1)CCN)O Z1268152336 [1,1,0,0,0,0|1,0,1]=4 1118 B12R1.300 COC1=C(C(=CC(=C1)C#N)Br)O Z57900370 [1,1,0,0,0,0|1,0,1]=4 1119 B12R1.300 COC1=C(C(=CC(=C1)C#N)Cl)O Z57900369 [1,1,0,0,0,0|1,0,1]=4 1120 B12R1.300 COC1=C(C(=CC(=C1)C#N)O)O Z3485480896 [1,1,0,0,0,0|1,0,1]=4 1121 B12R1.300 COC1=C(C(=CC(=C1)C=O)Br)O Z57313888 [1,1,0,0,0,0|0,0,0]=2 1122 B12R1.300 COC1=C(C(=CC(=C1)C=O)Cl)O Z56948379 [1,1,0,0,0,0|0,0,0]=2 1123 B12R1.300 COC1=C(C(=CC(=C1)C=O)F)F Z1198165259 [1,1,0,0,0,0|1,0,0]=3 1124 B12R1.300 COC1=C(C(=CC(=C1)C=O)I)O Z56957506 [1,1,0,0,0,0|0,0,0]=2 1125 B12R1.300 COC1=C(C(=CC(=C1)C=O)O)O Z56979310 [1,1,0,0,0,0|0,0,0]=2 1126 B12R1.300 COC1=C(C(=CC(=C1)CN)Br)O Z1695669956 [1,1,0,0,0,0|1,0,1]=4 1127 B12R1.300 COC1=C(C(=CC(=C1)CO)I)O Z228585292 [1,1,0,0,0,0|0,0,1]=3 1128 B12R1.300 O=CC1=CC(=C(C(=C1)C=O)O)O Z1511748638 [1,1,0,0,0,0|2,0,0]=4 1129 B12R1.449 COC1=C(C=C(C(=C1)C=O)Br)O Z57313887 [1,1,0,0,0,0|0,0,0]=2 1130 B12R1.449 COC1=C(C=C(C(=C1)C=O)Cl)O Z274515356 [1,1,0,0,0,0|0,0,0]=2 1131 B12R1.449 COC1=C(C=C(C(=C1)C=O)F)Br Z1269163653 [1,1,0,0,0,0|1,0,0]=3 1132 B12R1.449 COC1=C(C=C(C(=C1)C=O)F)C Z1251415117 [1,1,0,0,0,0|1,0,0]=3 1133 B12R1.449 COC1=C(C=C(C(=C1)C=O)F)Cl Z1201623209 [1,1,0,0,0,0|1,0,0]=3 1134 B12R1.449 COC1=C(C=C(C(=C1)C=O)F)F Z1511892698 [1,1,0,0,0,0|1,0,0]=3 1135 B12R1.449 COC1=C(C=C(C(=C1)C=O)O)C Z1198170087 [1,1,0,0,0,0|1,0,0]=3 1136 B12R1.449 COC1=C(C=C(C(=N1)C=O)C)C Z1255438087 [1,1,0,0,0,0|2,0,0]=4 1137 B12R1.654 COC1=C(C(=CC=C1F)C=O)F Z1255435472 [1,1,0,0,0,0|1,0,0]=3 1138 B12R1.654 COC1=C(C(=CC=C1O)C=O)Cl Z1198306086 [1,1,0,0,0,0|0,0,0]=2 1139 B12R1.654 COC1=C(C(=CC=C1O)C=O)O Z1251357394 [1,1,0,0,0,0|0,0,0]=2 1140 B12R1.654 COC1=C(C(=NC=C1C)C=O)C Z1201626234 [1,1,0,0,0,0|2,0,0]=4 1141 B12R1.654 COC1=C(C=CC(=C1C)C=O)O Z1511749564 [1,1,0,0,0,0|0,0,0]=2 1142 B12R1.622 COC1=CSC(=C1OC)C(=O)O Z1262526926 [0,1,0,0,1,0|1,0,0]=3 1143 B12R1.766 COC1=C(SC(=C1Br)C)C(=O)O Z1263843822 [0,1,0,0,1,0|2,0,0]=4 1144 B12R1.766 COC1=C(SC(=C1Cl)Cl)C(=O)O Z1813196625 [0,1,0,0,1,0|2,0,0]=4 1145 B14R1.705 O=C(O)CC1=CC(=C(C=C1)O)[N+](=O)[O-] Z1203162039 [0,1,0,0,0,1|2,0,0]=4 1146 B14R1.881 COC1=C(C=C(C(=C1)CC(=O)O)F)O Z1416167707 [0,1,0,0,0,1|0,0,0]=2 1147 B14R1.881 COC1=C(C=C(C(=C1)NC(=O)N)Br)Br Z1836647615 [0,1,0,0,0,1|2,0,0]=4 1148 B14R1.881 COC1=CN(C(=CC1=O)C)CC(=O)O Z1262530358 [0,1,0,0,0,1|1,0,1]=4 1149 B14R1.3405 CNC(=O)CC1=CC(=C(C=C1)C)OC Z196429244 [0,1,0,0,0,1|2,0,0]=4 1150 B14R1.3405 CNC(=O)NC1=CC(=C(C=C1)Br)OC Z1321376335 [0,1,0,0,0,1|2,0,0]=4 1151 B14R1.3405 COC(=O)CC1=CC(=C(C=C1)Br)OC Z1269111416 [0,1,0,0,0,1|1,0,0]=3 1152 B14R1.3405 COC(=O)CC1=CC(=C(C=C1)N)OC Z4188012656 [0,1,0,0,0,1|1,0,0]=3 1153 B14R1.3405 COC(=O)CC1=CC(=C(C=C1)O)C=O Z1198165266 [0,1,0,0,0,1|2,0,0]=4 1154 B14R1.3405 COC(=O)CC1=CC(=C(C=C1)O)OC Z1198150768 [0,1,0,0,0,1|0,0,0]=2 1155 B14R1.3405 COC1=C(C=CC(=C1)CC(=O)CO)O Z1513806392 [0,1,0,0,0,1|0,0,0]=2 1156 B14R1.3405 COC1=C(C=CC(=C1)NC(=O)CO)F Z1768428644 [0,1,0,0,0,1|1,0,0]=3 1157 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)N)OC Z33546771 [0,1,0,0,0,1|1,0,0]=3 1158 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)O)OC Z56924495 [0,1,0,0,0,1|0,0,0]=2 1159 B14R1.3651 COC1=C(C=C(C=C1)CC(=S)N)OC Z235363001 [0,1,0,0,0,1|1,1,0]=4 1160 B14R1.3651 COC1=C(C=C(C=C1)NC(=N)N)OC Z3785974910 [0,1,0,0,0,1|2,0,0]=4 1161 B14R1.3651 COC1=C(C=C(C=C1)NC(=O)C)OC Z30849291 [0,1,0,0,0,1|1,0,0]=3 1162 B14R1.3651 COC1=C(C=C(C=C1)NC(=S)C)OC Z56757210 [0,1,0,0,0,1|1,1,0]=4 1163 B14R1.3651 COC1=C(C=C(C=C1)NC(=S)N)OC Z235362229 [0,1,0,0,0,1|1,1,0]=4 1164 B14R1.12 CC(C)(C)C1=C(C=CC(=C1)C(=O)O)O Z1255386783 [0,2,0,0,0,0|1,0,0]=3 1165 B14R1.12 CC1=C(C=C(C=C1)C(=O)O)C(C)(C)C Z3242283539 [0,2,0,0,0,0|2,0,0]=4 1166 B14R1.12 CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C Z381375560 [0,2,0,0,0,0|1,1,0]=4 1167 B14R1.12 CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Br Z381378422 [0,2,0,0,0,0|1,1,0]=4 1168 B14R1.12 CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl Z57000485 [0,2,0,0,0,0|1,1,0]=4 1169 B14R1.12 NS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)O Z364004252 [0,2,0,0,0,0|1,1,0]=4 1170 B14R1.12 O=C(O)C1=CC(=C(C=C1)O)S(=O)(=O)Cl Z364003560 [0,2,0,0,0,0|1,1,0]=4 1171 B14R1.31 COC1=C(C=C(C=C1)C(=O)O)B(O)O Z1201623391 [0,2,0,0,0,0|2,0,0]=4 1172 B14R1.31 COC1=C(C=C(C=C1)C(=O)O)C(C)C Z1171157997 [0,2,0,0,0,0|1,0,0]=3 1173 B14R1.31 COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] Z64622964 [0,2,0,0,0,0|2,0,0]=4 1174 B14R1.706 CCC(=O)C1=C(C=CC(=C1)C(=O)O)F Z1262557083 [0,2,0,0,0,0|2,0,0]=4 1175 B14R1.706 COC(=O)C1=C(C=CC(=C1)C(=O)O)Br Z1551930382 [0,2,0,0,0,0|1,0,0]=3 1176 B14R1.706 COC(=O)C1=C(C=CC(=C1)C(=O)O)C Z1198161724 [0,2,0,0,0,0|1,0,0]=3 1177 B14R1.748 COC(=O)C1=CC(=C(C=C1)C)C(C)N Z3018396882 [0,2,0,0,0,0|2,0,0]=4 1178 B14R1.748 COC(=O)C1=CC(=C(C=C1)O)C(=O)N Z1262631819 [0,2,0,0,0,0|2,0,0]=4 1179 B14R1.748 COC(=O)C1=CC(=C(C=C1)O)C(=O)O Z1255401617 [0,2,0,0,0,0|2,0,0]=4 1180 B14R1.748 COC(=O)C1=CC(=C(C=C1)O)C(C)C Z1513841174 [0,2,0,0,0,0|1,0,0]=3 1181 B14R1.748 COC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-] Z57479406 [0,2,0,0,0,0|2,0,0]=4 1182 B14R1.6035 CC1=CC(=C(C=C1C(=O)O)C(C)C)O Z1262512082 [0,2,0,0,0,0|1,0,0]=3 1183 B14R1.6035 NC1=C(C=C(C(=C1)O)C(=O)O)C(=O)O Z1262512076 [0,2,0,0,0,0|2,0,0]=4 1184 B14R1.6035 NC1=C(C=C(C(=C1)O)[N+](=O)[O-])C(=O)O Z1216845530 [0,2,0,0,0,0|2,0,0]=4 1185 B14R1.14211 CC1=C(C(=CC(=C1)C(=O)O)[N+](=O)[O-])O Z3093892477 [0,2,0,0,0,0|2,0,0]=4 1186 B14R1.14211 NC1=C(C(=CC(=C1)C(=O)O)C(=O)O)O Z3071067028 [0,2,0,0,0,0|2,0,0]=4 1187 B14R1.358 COC(=O)C1=CC(=C(C(=C1)N)Cl)OC Z1269189858 [0,2,0,0,0,0|1,0,0]=3 1188 B14R1.358 COC(=O)C1=CC(=C(C(=C1)N)N)OC Z3018407340 [0,2,0,0,0,0|1,0,0]=3 1189 B14R1.436 CCOC1=C(C=CC(=C1)C(=O)OC)N Z2805899838 [0,2,0,0,0,0|1,0,0]=3 1190 B14R1.436 CCSC1=C(C=CC(=C1)C(=O)OC)N Z1543484370 [0,2,0,0,0,0|1,1,0]=4 1191 B14R1.436 COC(=O)C1=CC(=C(C=C1)C)CCN Z2967342157 [0,2,0,0,0,0|2,0,0]=4 1192 B14R1.1864 CCC(=O)C1=CC(=C(C=C1)OC)OC Z57952774 [0,2,0,0,0,0|1,0,0]=3 1193 B14R1.1864 CNC(=O)C1=CC(=C(C=C1)OC)OC Z32016676 [0,2,0,0,0,0|1,0,0]=3 1194 B14R1.1864 COC(=O)C1=CC(=C(C=C1)CN)OC Z3476925323 [0,2,0,0,0,0|1,0,0]=3 1195 B14R1.1864 COC(=O)C1=CC(=C(C=C1)CO)OC Z1618141881 [0,2,0,0,0,0|0,0,0]=2 1196 B14R1.1864 COC(=O)C1=CC(=C(C=C1)OC)CN Z5489622536 [0,2,0,0,0,0|2,0,0]=4 1197 B14R1.1864 COC(=O)C1=CC(=C(C=C1)OC)OC Z18491817 [0,2,0,0,0,0|0,0,0]=2 1198 B14R1.1864 COC1=C(C=C(C=C1)C(=O)CBr)OC Z56933742 [0,2,0,0,0,0|1,0,0]=3 1199 B14R1.1864 COC1=C(C=C(C=C1)C(=O)CN)OC Z3225947271 [0,2,0,0,0,0|1,0,0]=3 1200 B14R1.1864 COC1=C(C=C(C=C1)C(=O)NN)OC Z56876392 [0,2,0,0,0,0|1,0,0]=3 1201 B14R1.1864 COC1=C(C=C(C=C1)C(O)CN)OC Z1250089989 [0,2,0,0,0,0|1,0,1]=4 1202 B14R1.2283 COC(=O)C1=C(C=C(C(=C1)OC)N)C Z1681362487 [0,2,0,0,0,0|1,0,0]=3 1203 B14R1.4114 COC(=O)C1=C(C(=C(C=C1)F)OC)N Z2755894878 [0,2,0,0,0,0|1,0,0]=3 1204 B14R1.4114 COC(=O)C1=C(C(=C(C=C1)N)OC)C Z1681348442 [0,2,0,0,0,0|1,0,0]=3 1205 B14R1.4114 COC(=O)C1=C(C(=C(C=C1)N)OC)F Z1681355219 [0,2,0,0,0,0|1,0,0]=3 1206 B14R1.3654 COC1=C(C=C(C=C1)S(=O)(=O)Cl)OC Z104501472 [0,2,0,0,0,0|1,0,1]=4 1207 B14R1.3654 COC1=C(C=C(C=C1)S(=O)(=O)N)OC Z45415658 [0,2,0,0,0,0|1,0,1]=4 1208 B14R1.350 COC1=C(C(=CC(=C1)C(=O)C)C)OC Z1862017419 [0,2,0,0,0,0|1,0,0]=3 1209 B14R1.350 COC1=C(C(=CC(=C1)C(=O)O)Br)OC Z441850822 [0,2,0,0,0,0|0,0,0]=2 1210 B14R1.350 COC1=C(C(=CC(=C1)C(=O)O)Cl)OC Z55992974 [0,2,0,0,0,0|0,0,0]=2 1211 B14R1.350 COC1=C(C(=CC(=C1)C(=O)O)F)C#N Z2235681686 [0,2,0,0,0,0|1,0,0]=3 1212 B14R1.350 COC1=C(C(=CC(=C1)C(=O)O)N)OC Z1079174644 [0,2,0,0,0,0|0,0,0]=2 1213 B14R1.350 COC1=C(C=C(C=C1O)C(=O)O)C#N Z1262543162 [0,2,0,0,0,0|2,0,0]=4 1214 B14R1.362 COC1=C(C(=CC(=C1)C(=O)O)C=O)O Z1262512034 [0,2,0,0,0,0|0,0,0]=2 1215 B14R1.362 COC1=C(C(=CC(=C1)[N+](=O)[O-])C=O)O Z57160171 [0,2,0,0,0,0|1,0,1]=4 1216 B14R1.362 COC1=CC(=CC(=C1Br)OC)C(=O)O Z104510360 [0,2,0,0,0,0|1,0,0]=3 1217 B14R1.362 COC1=CC(=CC(=C1C)OC)C(=O)N Z33545383 [0,2,0,0,0,0|2,0,0]=4 1218 B14R1.362 COC1=CC(=CC(=C1C)OC)C(=O)O Z104485712 [0,2,0,0,0,0|1,0,0]=3 1219 B14R1.362 COC1=CC(=CC(=C1O)OC)C(=O)C Z1255450019 [0,2,0,0,0,0|1,0,0]=3 1220 B14R1.362 COC1=CC(=CC(=C1O)OC)C(=O)O Z1255360342 [0,2,0,0,0,0|0,0,0]=2 1221 B14R1.5293 CCOC1=C(C(=CC(=C1)C(=O)O)Cl)O Z56960160 [0,2,0,0,0,0|0,0,0]=2 1222 B14R1.5293 CCOC1=C(C(=O)OC(=C1)C(=O)O)Br Z3464201769 [0,2,0,0,0,0|2,0,0]=4 1223 B14R1.441 CCOC1=C(C=CC(=C1)C(=O)N)OC Z33545995 [0,2,0,0,0,0|1,0,0]=3 1224 B14R1.441 CCOC1=C(C=CC(=C1)C(=O)O)OC Z56347450 [0,2,0,0,0,0|0,0,0]=2 1225 B14R1.441 COCC1=C(C=CC(=C1)C(=O)C)OC Z57981493 [0,2,0,0,0,0|1,0,0]=3 1226 B14R1.676 CC(=O)NC1=C(C=CC(=C1)C(=O)O)C Z85893057 [0,2,0,0,0,0|2,0,0]=4 1227 B14R1.676 CC1=C(C=C(C=C1)C(=O)O)OC(F)F Z808642084 [0,2,0,0,0,0|1,0,0]=3 1228 B14R1.676 CN(C)CC1=C(C=CC(=C1)C(=O)O)F Z1080688692 [0,2,0,0,0,0|2,0,0]=4 1229 B14R1.676 O=C(O)C1=CC(=C(C=C1)Br)OC(F)F Z1964373752 [0,2,0,0,0,0|1,0,0]=3 1230 B14R1.758 CC1=C(C=C(C=C1)C(=O)O)OCCN Z4309684670 [0,2,0,0,0,0|1,0,0]=3 1231 B14R1.758 COCCN1C=C(C=CC1=O)C(=O)O Z356294148 [0,2,0,0,0,0|1,0,1]=4 1232 B14R1.1851 COC1=C(C=C(C(=C1)Br)C(=O)O)OC Z361598984 [0,2,0,0,0,0|0,0,0]=2 1233 B14R1.1851 COC1=C(C=C(C(=C1)C)C(=O)C)OC Z442347432 [0,2,0,0,0,0|1,0,0]=3 1234 B14R1.1851 COC1=C(C=C(C(=C1)C)C(=O)O)OC Z442347916 [0,2,0,0,0,0|0,0,0]=2 1235 B14R1.1851 COC1=C(C=C(C(=C1)C)S(=O)C)OC Z1154953662 [0,2,0,0,0,0|2,0,0]=4 1236 B14R1.1851 COC1=C(C=C(C(=C1)Cl)C(=O)C)OC Z99599890 [0,2,0,0,0,0|1,0,0]=3 1237 B14R1.1851 COC1=C(C=C(C(=C1)Cl)C(=O)O)OC Z382715716 [0,2,0,0,0,0|0,0,0]=2 1238 B14R1.1851 COC1=C(C=C(C(=C1)F)C(=O)C)OC Z1026449382 [0,2,0,0,0,0|1,0,0]=3 1239 B14R1.1851 COC1=C(C=C(C(=C1)N)C(=O)C)OC Z1201617276 [0,2,0,0,0,0|1,0,0]=3 1240 B14R1.1851 COC1=C(C=C(C(=C1)N)C(=O)N)OC Z239125332 [0,2,0,0,0,0|1,0,0]=3 1241 B14R1.1851 COC1=C(C=C(C(=C1)N)C(=O)O)OC Z104478384 [0,2,0,0,0,0|0,0,0]=2 1242 B14R1.1851 COC1=C(C=C(C(=C1)N)[N+](=O)[O-])OC Z94601152 [0,2,0,0,0,0|1,0,1]=4 1243 B14R1.1851 COC1=C(C=C(C(=C1)O)C(=O)O)OC Z1251415456 [0,2,0,0,0,0|0,0,0]=2 1244 B14R1.2288 COC1=CC(=C(C=C1C(=O)C)OC)Br Z1269120149 [0,2,0,0,0,0|2,0,0]=4 1245 B14R1.2288 COC1=CC(=C(C=C1C(=O)C)OC)O Z1413438403 [0,2,0,0,0,0|1,0,0]=3 1246 B14R1.2288 COC1=CC(=C(C=C1C(=O)O)OC)Br Z1269197259 [0,2,0,0,0,0|1,0,0]=3 1247 B14R1.2288 COC1=CC(=C(C=C1C(=O)O)OC)Cl Z1269181168 [0,2,0,0,0,0|1,0,0]=3 1248 B14R1.43 COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] Z118458740 [0,2,0,0,0,0|0,0,1]=3 1249 B14R1.43 COC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O Z1188342997 [0,2,0,0,0,0|1,0,1]=4 1250 B14R1.43 CSC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] Z1543440890 [0,2,0,0,0,0|0,1,1]=4 1251 B14R1.2023 COC1=C(C(=C(C=C1)C(=O)C)C)OC Z1251358034 [0,2,0,0,0,0|1,0,0]=3 1252 B14R1.2023 COC1=C(C(=C(C=C1)C(=O)C)Cl)OC Z1813087112 [0,2,0,0,0,0|1,0,0]=3 1253 B14R1.2023 COC1=C(C(=C(C=C1)C(=O)O)C)OC Z1198221140 [0,2,0,0,0,0|0,0,0]=2 1254 B14R1.6723 CCOC1=C(C=C(C=C1)C(=O)N)OC Z33545847 [0,2,0,0,0,0|1,0,0]=3 1255 B14R1.6723 CCOC1=C(C=C(C=C1)C(=O)O)OC Z56985772 [0,2,0,0,0,0|0,0,0]=2 1256 B14R1.6723 CCOC1=C(C=C(C=C1)C(=S)N)OC Z56942051 [0,2,0,0,0,0|1,1,0]=4 1257 B14R1.6723 COCC1=C(C=C(C=C1)C(=O)O)OC Z1262555915 [0,2,0,0,0,0|0,0,0]=2 1258 B12R1.283 COCC1=C(C=CC=C1)C(=O)O Z359517772 [0,0,1,1,0,0|1,0,1]=4 1259 B12R1.113 COCC1=CC=C(C=C1)C(=O)O Z57981093 [0,0,1,1,0,0|1,0,1]=4 1260 B12R1.113 COCC1=NC=C(C=C1)C(=O)O Z1255402225 [0,0,1,1,0,0|1,0,1]=4 1261 B12R2.1384 O=C(O)C1=CC2=C(C=C1)CC2 Z1205494871 [1,0,0,1,0,0|1,0,0]=3 1262 B12R2.43 COC1=CC(=CC=C1)C2CO2 Z278165228 [1,0,0,1,0,0|1,0,1]=4 1263 B12R2.44 CNC1=CC2=C(C=C1)OCO2 Z4179948758 [1,0,0,1,0,0|2,0,0]=4 1264 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 Z57756578 [1,0,0,1,0,0|1,0,1]=4 1265 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 Z385369954 [1,0,0,1,0,0|2,0,0]=4 1266 B12R2.44 O=CC1=CC2=C(C=C1)CCO2 Z1255367296 [1,0,0,1,0,0|1,0,0]=3 1267 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 Z1201622196 [1,0,0,1,0,0|1,0,1]=4 1268 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 Z362120102 [1,0,0,1,0,0|1,0,0]=3 1269 B12R2.44 O=CC1=CC2=C(C=C1)ON=C2 Z1255451826 [1,0,0,1,0,0|2,0,0]=4 1270 B12R2.44 O=CC1=NC2=C(C=C1)OCC2 Z1813150326 [1,0,0,1,0,0|2,0,0]=4 1271 B12R2.44 O=CC1=NC=C2OCOC2=C1 Z1216820503 [1,0,0,1,0,0|1,0,0]=3 1272 B12R2.44 OCC1=CC2=C(C=C1)OCO2 Z104477372 [1,0,0,1,0,0|0,0,1]=3 1273 B14R2.1008 CC(=O)NC1=CC2=C(C=C1)OCO2 Z27647423 [0,0,0,1,0,1|1,0,0]=3 1274 B14R2.1008 CC(=S)NC1=CC2=C(C=C1)OCO2 Z56764111 [0,0,0,1,0,1|1,1,0]=4 1275 B14R2.1008 C[C@@H](O)CC1=CC2=C(C=C1)OCO2 Z1198314644 [0,0,0,1,0,1|1,0,1]=4 1276 B14R2.1008 C[C@H](O)CC1=CC2=C(C=C1)OCO2 Z1650168507 [0,0,0,1,0,1|1,0,1]=4 1277 B14R2.1008 NC(=O)NC1=CC2=C(C=C1)OCO2 Z107732962 [0,0,0,1,0,1|1,0,0]=3 1278 B14R2.1008 NC(=S)NC1=CC2=C(C=C1)OCO2 Z291278954 [0,0,0,1,0,1|1,1,0]=4 1279 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)CCC2 Z57984662 [0,0,0,1,0,1|2,0,0]=4 1280 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)CCN2 Z2237317706 [0,0,0,1,0,1|2,0,0]=4 1281 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 Z220565334 [0,0,0,1,0,1|1,0,0]=3 1282 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCO2 Z274782846 [0,0,0,1,0,1|0,0,0]=2 1283 B14R2.1008 O=C(O)CC1=CC2=C(C=CO2)C=C1 Z1262520127 [0,0,0,1,0,1|1,0,1]=4 1284 B14R2.24358 CC1=COC2=C1C=C(C=C2)C(=O)O Z1198173326 [0,1,0,1,0,0|1,0,0]=3 1285 B14R2.24358 CC1=CSC2=C1C=C(C=C2)C(=O)O Z1198158713 [0,1,0,1,0,0|1,1,0]=4 1286 B14R2.24358 CC1=NNC2=C1C=C(C=C2)C(=O)O Z1255497795 [0,1,0,1,0,0|2,0,0]=4 1287 B14R2.24358 CC1=NOC2=C1C=C(C=N2)C(=O)O Z235344947 [0,1,0,1,0,0|2,0,0]=4 1288 B14R2.24358 CC1CNC2=C1C=C(C=C2)C(=O)O Z3378113739 [0,1,0,1,0,0|2,0,0]=4 1289 B14R2.24358 CC1COC2=C1C=C(C=C2)C(=O)O Z1813127897 [0,1,0,1,0,0|1,0,0]=3 1290 B14R2.24358 CN1CCC2=C1C=C(C=C2)C(=O)O Z1262560090 [0,1,0,1,0,0|2,0,0]=4 1291 B14R2.24358 CN1N=CC2=C1C=C(C=C2)C(=O)O Z1198306516 [0,1,0,1,0,0|2,0,0]=4 1292 B14R2.24358 CN1N=NC2=C1C=C(C=C2)C(=O)O Z1262555909 [0,1,0,1,0,0|2,0,0]=4 1293 B14R2.24358 NC1CCC2=C1C=C(C=C2)C(=O)O Z4480730611 [0,1,0,1,0,0|2,0,0]=4 1294 B14R2.24358 O=C(O)C1=CC2=C(C=C1)COB2O Z1262514380 [0,1,0,1,0,0|2,0,0]=4 1295 B14R2.24358 O=C(O)C1=CC2=C(C=C1)COC2=O Z1262548155 [0,1,0,1,0,0|2,0,0]=4 1296 B14R2.966 C/C(=N\O)/C1=CC2=C(C=C1)OCC2 Z232287670 [0,1,0,1,0,0|2,0,0]=4 1297 B14R2.966 CCC(=O)C1=CC2=C(C=C1)OCC2 Z285137108 [0,1,0,1,0,0|2,0,0]=4 1298 B14R2.966 COC(=O)C1=CC2=C(C=C1)CCN2 Z2768165400 [0,1,0,1,0,0|2,0,0]=4 1299 B14R2.966 COC(=O)C1=CC2=C(C=C1)NCC2 Z240133694 [0,1,0,1,0,0|2,0,0]=4 1300 B14R2.966 COC(=O)C1=CC2=C(C=C1)OCO2 Z18362703 [0,1,0,1,0,0|0,0,0]=2 1301 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)OCC2 Z212171858 [0,1,0,1,0,0|2,0,0]=4 1302 B14R2.2167 COC1=C(C=C2CCC(=O)C2=C1)F Z1198218591 [0,1,0,1,0,0|2,0,0]=4 1303 B14R2.2167 COC1=C(C=C2CCC(=O)C2=C1)O Z1255432077 [0,1,0,1,0,0|1,0,0]=3 1304 B14R2.2167 COC1=C(C=C2CNC(=O)C2=C1)C Z1255420681 [0,1,0,1,0,0|2,0,0]=4 1305 B14R2.3125 NS(=O)(=O)C1=CC2=C(C=C1)OCO2 Z401602480 [0,1,0,1,0,0|1,0,1]=4 1306 B14R2.8824 CC1=C2CCCC2=CC(=C1)C(=O)O Z1262536333 [0,1,0,1,0,0|2,0,0]=4 1307 B14R2.8824 CC1=C2OC=CC2=CC(=C1)C(=O)O Z1813193629 [0,1,0,1,0,0|1,0,1]=4 1308 B14R2.8824 O=C(O)C1=CC(=C2CCCC2=C1)F Z4606228830 [0,1,0,1,0,0|2,0,0]=4 1309 B14R2.8824 O=C(O)C1=CC(=C2OCCC2=C1)Br Z3242945425 [0,1,0,1,0,0|1,0,0]=3 1310 B14R2.8824 O=C(O)C1=CC(=C2OCOC2=C1)Br Z381420518 [0,1,0,1,0,0|0,0,0]=2 1311 B14R2.8824 O=C(O)C1=CC(=C2OCOC2=C1)Cl Z85929569 [0,1,0,1,0,0|0,0,0]=2 1312 B14R2.8824 O=C(O)C1=CC2=C(C=CO2)C(=C1)O Z1255436906 [0,1,0,1,0,0|1,0,1]=4 1313 B14R2.601 CC1=CC2=C(O1)C=C(C=C2)C(=O)O Z1262519623 [0,1,0,1,0,0|1,0,0]=3 1314 B14R2.601 CC1=CC2=C(S1)C=CC(=C2)C(=O)O Z1255363025 [0,1,0,1,0,0|1,1,0]=4 1315 B14R2.601 CC1=NC2=C(N1)C=CC(=C2)C(=O)O Z1622825549 [0,1,0,1,0,0|2,0,0]=4 1316 B14R2.601 CC1=NC2=C(O1)C=C(C=C2)C(=O)O Z1198175088 [0,1,0,1,0,0|1,0,0]=3 1317 B14R2.601 CC1=NC2=C(O1)C=C(C=N2)C(=O)O Z1187934880 [0,1,0,1,0,0|2,0,0]=4 1318 B14R2.601 CC1=NC2=C(O1)C=CC(=C2)C(=O)O Z1198224457 [0,1,0,1,0,0|1,0,0]=3 1319 B14R2.601 CC1=NC2=C(S1)C=C(C=C2)C(=O)O Z1201624118 [0,1,0,1,0,0|1,1,0]=4 1320 B14R2.601 CC1CC2=C(O1)C=CC(=C2)C(=O)O Z57952782 [0,1,0,1,0,0|1,0,0]=3 1321 B14R2.601 CN1C=C2C=C(C=CC2=N1)C(=O)O Z1255392740 [0,1,0,1,0,0|2,0,0]=4 1322 B14R2.601 CN1C=C2C=CC(=CC2=N1)C(=O)O Z1255388877 [0,1,0,1,0,0|2,0,0]=4 1323 B14R2.601 CN1CC2=C(C1)C=C(C=C2)C(=O)O Z3217362728 [0,1,0,1,0,0|2,0,0]=4 1324 B14R2.601 NC1=NC2=C(O1)C=C(C=C2)C(=O)O Z1203897063 [0,1,0,1,0,0|1,0,1]=4 1325 B14R2.601 NC1CC2=C(C1)C=C(C=C2)C(=O)O Z1508939334 [0,1,0,1,0,0|2,0,0]=4 1326 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(O2)S Z1198187090 [0,1,0,1,0,0|1,0,1]=4 1327 B14R2.601 O=C(O)C1=CC2=C(C=C1)OC(=N2)S Z57478902 [0,1,0,1,0,0|1,0,1]=4 1328 B14R2.601 O=C1NC2=C(O1)C=C(C=C2)C(=O)O Z381350966 [0,1,0,1,0,0|1,0,1]=4 1329 B14R2.601 O=C1NC2=C(O1)C=CC(=C2)C(=O)O Z1198175164 [0,1,0,1,0,0|1,0,1]=4 1330 B14R2.781 CC(=O)C1=CC2=C(C=C1)OCCO2 Z56854473 [0,1,0,1,0,0|1,0,0]=3 1331 B14R2.781 CC(O)C1=CC2=C(C=C1)OCCO2 Z335245042 [0,1,0,1,0,0|1,0,1]=4 1332 B14R2.781 C[C@H](O)C1=CC2=C(C=C1)OCCO2 Z360055532 [0,1,0,1,0,0|1,0,1]=4 1333 B14R2.781 NC(=O)C1=CC2=C(C=C1)NCCO2 Z1551943184 [0,1,0,1,0,0|2,0,0]=4 1334 B14R2.781 NC(=O)C1=CC2=C(C=C1)OCCO2 Z33547100 [0,1,0,1,0,0|1,0,0]=3 1335 B14R2.781 O=C(O)C1=CC2=C(C=C1)CCCC2 Z90124426 [0,1,0,1,0,0|2,0,0]=4 1336 B14R2.781 O=C(O)C1=CC2=C(C=C1)CCCN2 Z2855994771 [0,1,0,1,0,0|2,0,0]=4 1337 B14R2.781 O=C(O)C1=CC2=C(C=C1)CCCO2 Z1255448075 [0,1,0,1,0,0|1,0,0]=3 1338 B14R2.781 O=C(O)C1=CC2=C(C=C1)CCNC2 Z1526503473 [0,1,0,1,0,0|2,0,0]=4 1339 B14R2.781 O=C(O)C1=CC2=C(C=C1)CCOC2 Z3178895256 [0,1,0,1,0,0|1,0,0]=3 1340 B14R2.781 O=C(O)C1=CC2=C(C=C1)CNCC2 Z2471610531 [0,1,0,1,0,0|2,0,0]=4 1341 B14R2.781 O=C(O)C1=CC2=C(C=C1)COCC2 Z1255506122 [0,1,0,1,0,0|1,0,0]=3 1342 B14R2.781 O=C(O)C1=CC2=C(C=C1)NCCC2 Z1259162174 [0,1,0,1,0,0|2,0,0]=4 1343 B14R2.781 O=C(O)C1=CC2=C(C=C1)NCCO2 Z3216109387 [0,1,0,1,0,0|1,0,0]=3 1344 B14R2.781 O=C(O)C1=CC2=C(C=C1)OCCC2 Z730726766 [0,1,0,1,0,0|1,0,0]=3 1345 B14R2.781 O=C(O)C1=CC2=C(C=C1)OCCO2 Z56839661 [0,1,0,1,0,0|0,0,0]=2 1346 B14R2.781 O=C(O)C1=CC2=C(C=C1)OCOC2 Z1198727061 [0,1,0,1,0,0|0,0,0]=2 1347 B14R2.781 O=C(O)C1=CC2=C(C=C1)SCCC2 Z3183923557 [0,1,0,1,0,0|1,1,0]=4 1348 B14R2.781 O=C(O)C1=CC2=C(C=C1)SCCN2 Z1201627815 [0,1,0,1,0,0|1,1,0]=4 1349 B14R2.781 O=C(O)C1=CC2=C(C=CCC2)C=C1 Z1262547032 [0,1,0,1,0,0|2,0,0]=4 1350 B14R2.781 O=C(O)C1=CC2=C(CCOC2)N=C1 Z1255459205 [0,1,0,1,0,0|2,0,0]=4 1351 B14R2.781 O=C(O)C1=CC2=C(COCC2)N=C1 Z3242004730 [0,1,0,1,0,0|2,0,0]=4 1352 B14R2.781 O=C(O)C1=CC2=C(N=C1)NCCO2 Z3215823359 [0,1,0,1,0,0|2,0,0]=4 1353 B14R2.781 O=C(O)C1=CC2=C(N=C1)OCCC2 Z1255418746 [0,1,0,1,0,0|2,0,0]=4 1354 B14R2.781 O=C(O)C1=CC2=C(N=C1)OCCN2 Z4461633469 [0,1,0,1,0,0|2,0,0]=4 1355 B14R2.781 O=C(O)C1=NC2=C(C=C1)CCOC2 Z5030903666 [0,1,0,1,0,0|2,0,0]=4 1356 B14R2.781 O=C(O)C1=NC2=C(C=C1)OCCO2 Z1255426860 [0,1,0,1,0,0|1,0,0]=3 1357 B14R2.781 O=C(O)C1=NC=C2COCCC2=C1 Z4254605585 [0,1,0,1,0,0|2,0,0]=4 1358 B14R2.781 O=C(O)C1=NC=C2OCCOC2=C1 Z1255401054 [0,1,0,1,0,0|1,0,0]=3 1359 B14R2.781 O=[N+]([O-])C1=CC2=C(C=C1)OCCO2 Z56957482 [0,1,0,1,0,0|1,0,1]=4 1360 B14R2.781 OB(O)C1=CC2=C(C=C1)OCCO2 Z381541022 [0,1,0,1,0,0|1,0,1]=4 1361 B14R2.8653 CC1=C2CCCC2=C(C=C1)C(=O)O Z1262513346 [0,1,0,1,0,0|2,0,0]=4 1362 B14R2.8653 O=C(O)C1=C2C=COC2=C(C=C1)Cl Z1262529008 [0,1,0,1,0,0|1,0,1]=4 1363 B14R2.8653 O=C(O)C1=C2C=COC2=C(C=C1)F Z1258976831 [0,1,0,1,0,0|1,0,1]=4 1364 B14R2.8653 O=C(O)C1=C2CCCC2=C(C=C1)F Z3991146703 [0,1,0,1,0,0|2,0,0]=4 1365 B14R2.8653 O=C(O)C1=C2OCCC2=C(C=C1)F Z2942657239 [0,1,0,1,0,0|2,0,0]=4 1366 B14R2.624 CC(=O)C1=C(C=C2OCOC2=C1)N Z104442602 [0,1,0,1,0,0|1,0,0]=3 1367 B14R2.624 CC1=C(C=C2OCOC2=C1)B(O)O Z2049942291 [0,1,0,1,0,0|1,0,1]=4 1368 B14R2.624 CC1=C(C=C2OCOC2=C1)C(=O)O Z1262521670 [0,1,0,1,0,0|0,0,0]=2 1369 B14R2.624 CC1=C(C=C2OCOC2=C1)[N+](=O)[O-] Z1625781948 [0,1,0,1,0,0|1,0,1]=4 1370 B14R2.624 NC1=C(C=C2CCCC2=C1)C(=O)O Z4609004341 [0,1,0,1,0,0|2,0,0]=4 1371 B14R2.624 NC1=C(C=C2OCOC2=C1)C(=O)O Z118256516 [0,1,0,1,0,0|0,0,0]=2 1372 B14R2.624 NC1=C(C=C2OCOC2=C1)[N+](=O)[O-] Z57253537 [0,1,0,1,0,0|1,0,1]=4 1373 B14R2.624 O=C(O)C1=C(C=C2CCCC2=C1)O Z1262516688 [0,1,0,1,0,0|2,0,0]=4 1374 B14R2.624 O=C(O)C1=C(C=C2CCNC2=C1)Br Z2939851191 [0,1,0,1,0,0|2,0,0]=4 1375 B14R2.624 O=C(O)C1=C(C=C2NCCC2=C1)Cl Z1318518025 [0,1,0,1,0,0|2,0,0]=4 1376 B14R2.624 O=C(O)C1=C(C=C2OC=CC2=C1)F Z2732558618 [0,1,0,1,0,0|1,0,1]=4 1377 B14R2.624 O=C(O)C1=C(C=C2OCOC2=C1)Br Z1269138217 [0,1,0,1,0,0|0,0,0]=2 1378 B14R2.624 O=C(O)C1=C(C=C2OCOC2=C1)Cl Z1269153006 [0,1,0,1,0,0|0,0,0]=2 1379 B14R2.624 O=C(O)C1=C(C=C2OCOC2=C1)O Z367679216 [0,1,0,1,0,0|0,0,0]=2 1380 B14R2.624 O=[N+]([O-])C1=C(C=C2OCOC2=C1)I Z56885835 [0,1,0,1,0,0|1,0,1]=4 1381 B14R2.5719 CC1=NOC2=C1C=CC(=C2)C(=O)O Z1262557158 [0,1,0,1,0,0|2,0,0]=4 1382 B14R2.5719 CN1CCC2=C1C=CC(=C2)C(=O)O Z951175606 [0,1,0,1,0,0|2,0,0]=4 1383 B14R2.5719 O=C(O)C1=CC2=C(C=C1)B(OC2)O Z1888380472 [0,1,0,1,0,0|2,0,0]=4 1384 B14R2.5719 O=C(O)C1=CC2=C(C=C1)C(=O)CC2 Z1198162049 [0,1,0,1,0,0|1,0,1]=4 1385 B14R2.5998 CC1=C(C=CC2=C1CCC2)C(=O)O Z1262536336 [0,1,0,1,0,0|2,0,0]=4 1386 B14R2.5998 O=C(O)C1=C(C2=C(C=C1)CCC2)F Z2732559156 [0,1,0,1,0,0|2,0,0]=4 1387 B14R2.5998 O=C(O)C1=C(C2=C(C=C1)CCC2)O Z1262523788 [0,1,0,1,0,0|2,0,0]=4 1388 B14R2.5998 OB(O)C1=C(C2=C(C=C1)OCO2)Cl Z1618039334 [0,1,0,1,0,0|1,0,1]=4 1389 B14R2.5998 OB(O)C1=C(C2=C(C=C1)OCO2)F Z1198342731 [0,1,0,1,0,0|1,0,1]=4 1390 B14R3.3015 C1=CC2=C(C=C1C3CO3)OCO2 Z278165238 [0,0,0,2,0,0|1,0,1]=4 1391 B10R1.58 CC1=C(C=C(S1)C(=O)O)Br Z1263738666 [1,0,0,0,1,0|2,0,0]=4 1392 B10R1.58 CC1=C(N=C(S1)C(=O)O)O Z1216838537 [1,0,0,0,1,0|2,0,0]=4 1393 B10R1.58 CC1=C(NC(=C1)C(=O)O)C Z1198334173 [1,0,0,0,1,0|2,0,0]=4 1394 B10R1.58 CC1=C(OC(=C1)C(=O)O)Br Z2732856968 [1,0,0,0,1,0|2,0,0]=4 1395 B10R1.58 CC1=C(OC(=C1)C(=O)O)C Z1201618976 [1,0,0,0,1,0|2,0,0]=4 1396 B10R1.58 CC1=C(SC(=C1)C(=O)O)Br Z1269169628 [1,0,0,0,1,0|2,0,0]=4 1397 B10R1.58 CC1=C(SC(=C1)C(=O)O)C Z104492212 [1,0,0,0,1,0|2,0,0]=4 1398 B10R1.58 CC1=C(SC(=C1)C(=O)O)Cl Z1198158702 [1,0,0,0,1,0|2,0,0]=4 1399 B10R1.58 CC1=CC(=CN1C)C(=O)O Z1726066205 [1,0,0,0,1,0|2,0,0]=4 1400 B10R1.194 CC1=C(C(=CS1)C(=O)O)C Z275191052 [1,0,0,0,1,0|2,0,0]=4 1401 B10R1.194 CC1=C(C=CN1C)C(=O)O Z1205496490 [1,0,0,0,1,0|2,0,0]=4 1402 B10R1.194 CC1=C(SC=C1C(=O)O)Br Z1450923281 [1,0,0,0,1,0|2,0,0]=4 1403 B10R1.194 CC1=CC=C(N1C)C(=O)O Z154210042 [1,0,0,0,1,0|2,0,0]=4 1404 B10R1.194 CC1=COC(=C1C)C(=O)O Z1205496460 [1,0,0,0,1,0|2,0,0]=4 1405 B10R1.194 CC1=CSC(=C1C)C(=O)O Z1255497776 [1,0,0,0,1,0|2,0,0]=4 1406 B10R1.31 CCC1=CC=C(N1)C(=O)O Z1416166268 [1,0,0,0,1,0|2,0,0]=4 1407 B10R1.31 CCC1=CC=C(O1)C(=O)O Z57564911 [1,0,0,0,1,0|2,0,0]=4 1408 B10R1.31 CCC1=CNC(=C1)C(=O)O Z3243445142 [1,0,0,0,1,0|2,0,0]=4 1409 B10R1.31 COC1=CC=C(S1)C(=O)O Z1198160366 [1,0,0,0,1,0|1,0,0]=3 1410 B10R1.31 COC1=CSC(=C1)C(=O)O Z335442452 [1,0,0,0,1,0|1,0,0]=3 1411 B10R1.31 COC1=NC(=CO1)C(=O)O Z1646049290 [1,0,0,0,1,0|2,0,0]=4 1412 B10R1.31 COC1=NSC(=C1)C(=O)O Z2301475282 [1,0,0,0,1,0|2,0,0]=4 1413 B10R1.31 CSC1=CC(=CO1)C(=O)O Z2408373903 [1,0,0,0,1,0|1,1,0]=4 1414 B10R1.31 CSC1=CC=C(O1)C(=O)O Z963425062 [1,0,0,0,1,0|1,1,0]=4 1415 B10R1.31 CSC1=CC=C(S1)C(=O)O Z1201619509 [1,0,0,0,1,0|1,1,0]=4 1416 B10R1.39 CCC1=C(C=CN1)C(=O)O Z1416192080 [1,0,0,0,1,0|2,0,0]=4 1417 B10R1.39 CCC1=C(C=CO1)C(=O)O Z1205494709 [1,0,0,0,1,0|2,0,0]=4 1418 B10R1.39 CCC1=C(OC=C1)C(=O)O Z1205495479 [1,0,0,0,1,0|2,0,0]=4 1419 B10R1.39 CCC1=C(SC=C1)C(=O)O Z608482636 [1,0,0,0,1,0|2,0,0]=4 1420 B10R1.39 CCC1=CNC=C1C(=O)O Z1813204808 [1,0,0,0,1,0|2,0,0]=4 1421 B10R1.39 CCC1=CSC=C1C(=O)O Z1198727066 [1,0,0,0,1,0|2,0,0]=4 1422 B10R1.39 CCN1C=CC=C1C(=O)O Z425487628 [1,0,0,0,1,0|2,0,0]=4 1423 B10R1.39 COC1=C(C=CS1)C(=O)O Z1262517788 [1,0,0,0,1,0|1,0,0]=3 1424 B10R1.39 COC1=C(SC=C1)C(=O)C Z1255500699 [1,0,0,0,1,0|2,0,0]=4 1425 B10R1.39 COC1=C(SC=C1)C(=O)O Z1124707084 [1,0,0,0,1,0|1,0,0]=3 1426 B10R1.39 COC1=CNN=C1C(=O)O Z3825664386 [1,0,0,0,1,0|2,0,0]=4 1427 B10R1.39 COC1=CSC=C1C(=O)O Z1201618692 [1,0,0,0,1,0|1,0,0]=3 1428 B10R1.39 COC1=NNC=C1C(=O)O Z1205655926 [1,0,0,0,1,0|2,0,0]=4 1429 B10R1.39 COC1=NSC=C1C(=O)O Z1262521358 [1,0,0,0,1,0|2,0,0]=4 1430 B10R1.39 CSC1=C(C=CS1)C(=O)O Z1198158844 [1,0,0,0,1,0|1,1,0]=4 1431 B10R1.39 CSC1=C(SC=C1)C(=O)O Z1142701510 [1,0,0,0,1,0|1,1,0]=4 1432 B10R1.39 CSC1=CSC=C1C(=O)O Z1262517772 [1,0,0,0,1,0|1,1,0]=4 1433 B10R1.35 COC1=C(C=C(S1)C=O)Br Z1470214433 [1,0,0,0,1,0|2,0,0]=4 1434 B12R1.438 CCC1=CC(=CC=C1)CC(=O)O Z1198264513 [1,0,0,0,0,1|1,0,0]=3 1435 B12R1.438 COC1=CC(=CC=C1)CC(=N)N Z951367838 [1,0,0,0,0,1|2,0,0]=4 1436 B12R1.438 COC1=CC(=CC=C1)CC(=O)N Z33547068 [1,0,0,0,0,1|1,0,0]=3 1437 B12R1.438 COC1=CC(=CC=C1)CC(=O)O Z104478986 [1,0,0,0,0,1|0,0,0]=2 1438 B12R1.438 COC1=CC(=CC=C1)NC(=O)C Z27795266 [1,0,0,0,0,1|1,0,0]=3 1439 B12R1.438 COC1=CC(=CC=C1)NC(=S)N Z56913186 [1,0,0,0,0,1|1,1,0]=4 1440 B12R1.438 COC1=NC=CC(=C1)CC(=O)O Z2186882871 [1,0,0,0,0,1|1,0,0]=3 1441 B12R1.438 N#CC1=CC=CC(=C1)CC(=O)O Z982130150 [1,0,0,0,0,1|2,0,0]=4 1442 B12R1.438 O=CC1=CC=CC(=C1)CC(=O)O Z1262512246 [1,0,0,0,0,1|2,0,0]=4 1443 B12R1.57 CCC1=C(C=CC(=C1)C)C(=O)O Z1551931508 [0,0,0,0,1,1|2,0,0]=4 1444 B12R1.57 CCC1=C(C=CC(=C1)Cl)C(=O)O Z1255426327 [0,0,0,0,1,1|2,0,0]=4 1445 B12R1.57 CCC1=C(C=CC(=C1)F)C(=O)O Z1255422782 [0,0,0,0,1,1|2,0,0]=4 1446 B12R1.57 CNC1=C(C=CC(=C1)Cl)C(=O)O Z1082851880 [0,0,0,0,1,1|2,0,0]=4 1447 B12R1.57 CNC1=C(C=CC(=C1)F)C(=O)O Z1198310366 [0,0,0,0,1,1|2,0,0]=4 1448 B12R1.57 CNC1=C(C=CC(=C1)I)C(=O)O Z2235409276 [0,0,0,0,1,1|2,0,0]=4 1449 B12R1.57 COC1=C(C=CC(=C1)Br)C(=O)N Z964990652 [0,0,0,0,1,1|2,0,0]=4 1450 B12R1.57 COC1=C(C=CC(=C1)Br)C(=O)O Z405053816 [0,0,0,0,1,1|1,0,0]=3 1451 B12R1.57 COC1=C(C=CC(=C1)C)C(=O)O Z118458672 [0,0,0,0,1,1|1,0,0]=3 1452 B12R1.57 COC1=C(C=CC(=C1)Cl)C(=O)C Z871801794 [0,0,0,0,1,1|2,0,0]=4 1453 B12R1.57 COC1=C(C=CC(=C1)Cl)C(=O)O Z118458694 [0,0,0,0,1,1|1,0,0]=3 1454 B12R1.57 COC1=C(C=CC(=C1)F)C(=O)C Z330830584 [0,0,0,0,1,1|2,0,0]=4 1455 B12R1.57 COC1=C(C=CC(=C1)I)C(=O)O Z1269240360 [0,0,0,0,1,1|1,0,0]=3 1456 B12R1.57 COC1=C(C=CC(=C1)N)C(=O)C Z1255387837 [0,0,0,0,1,1|2,0,0]=4 1457 B12R1.57 COC1=C(C=CC(=C1)N)C(=O)O Z1188346095 [0,0,0,0,1,1|1,0,0]=3 1458 B12R1.57 COC1=C(C=CC(=C1)O)[N+](=O)[O-] Z1255387801 [0,0,0,0,1,1|1,0,1]=4 1459 B12R1.57 COC1=C(C=CC(=N1)N)C(=O)O Z1198176092 [0,0,0,0,1,1|1,0,0]=3 1460 B12R1.57 COC1=C(C=NC(=N1)C)C(=O)O Z1255364039 [0,0,0,0,1,1|2,0,0]=4 1461 B12R1.57 COC1=C(N=CC(=C1)C)C(=O)O Z1255398419 [0,0,0,0,1,1|2,0,0]=4 1462 B12R1.57 COC1=CC(=O)NC=C1C(=O)O Z2940715271 [0,0,0,0,1,1|1,0,1]=4 1463 B12R1.57 CSC1=C(C=CC(=C1)Br)C(=O)O Z1492496043 [0,0,0,0,1,1|1,1,0]=4 1464 B12R1.57 CSC1=C(C=CC(=C1)C)C(=O)O Z995154338 [0,0,0,0,1,1|1,1,0]=4 1465 B12R1.57 CSC1=C(C=CC(=C1)F)C(=O)O Z228584388 [0,0,0,0,1,1|1,1,0]=4 1466 B12R1.57 CSC1=C(C=CC(=N1)Cl)C(=O)O Z1134175209 [0,0,0,0,1,1|1,1,0]=4 1467 B12R1.87 CCC1=C(C=CC=C1C)C(=O)O Z1262518625 [0,0,0,0,1,1|2,0,0]=4 1468 B12R1.87 CNC1=C(C=CC=C1F)C(=O)O Z994471522 [0,0,0,0,1,1|2,0,0]=4 1469 B12R1.87 CNC1=C(C=CC=C1N)C(=O)O Z2940715367 [0,0,0,0,1,1|2,0,0]=4 1470 B12R1.87 COC1=C(C=CC=C1F)C(=O)O Z994470772 [0,0,0,0,1,1|1,0,0]=3 1471 B12R1.87 COC1=C(C=CC=C1O)B(O)O Z1255505802 [0,0,0,0,1,1|1,0,1]=4 1472 B12R1.87 COC1=C(N=CN=C1C)C(=O)O Z2510955306 [0,0,0,0,1,1|2,0,0]=4 1473 B12R1.87 CSC1=C(C=CC=C1Br)C(=O)O Z1269122928 [0,0,0,0,1,1|1,1,0]=4 1474 B12R1.87 CSC1=C(C=CC=C1F)C(=O)O Z994476898 [0,0,0,0,1,1|1,1,0]=4 1475 B12R1.87 O=CC1=C(C=CC=C1O)C(=O)O Z1255385760 [0,0,0,0,1,1|2,0,0]=4 1476 B14R1.42 CCC1=C(C=CC(=C1)OCC(=O)O)Cl Z228583428 [0,0,0,0,0,2|2,0,0]=4 1477 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(=O)O)F Z1201621929 [0,0,0,0,0,2|1,0,0]=3 1478 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(=O)O)O Z56782558 [0,0,0,0,0,2|0,0,0]=2 1479 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(C)O)O Z1513917280 [0,0,0,0,0,2|1,0,1]=4 1480 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)C)O Z1255442373 [0,0,0,0,0,2|1,0,0]=3 1481 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)Cl Z1269146778 [0,0,0,0,0,2|1,0,0]=3 1482 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O Z317038020 [0,0,0,0,0,2|0,0,0]=2 1483 B14R1.42 O=CC1=C(C=CC(=C1)/C=C/C(=O)O)O Z1198181572 [0,0,0,0,0,2|2,0,0]=4 1484 B14R1.42 O=CC1=C(C=CC(=C1)CCC(=O)O)O Z1262519251 [0,0,0,0,0,2|2,0,0]=4