0 B12R2.24 CC1CNc2ccccc2O1 H61002 [0,0,0,0,0,0|2,0,1]=3 1 B12R2.24 CC1CNc2ccccc2S1 H61005 [0,0,0,0,0,0|2,1,1]=4 2 B12R2.24 Cc1cc2ccccc2nc1 A13109 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.24 Cc1ccc2ccccc2c1 L02459 [0,0,0,0,0,0|2,0,2]=4 4 B12R2.24 Cc1ccc2ccccc2n1 A13412 [0,0,0,0,0,0|2,0,2]=4 5 B12R2.24 Cc1cnc2ccccc2n1 A15895 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.24 c1cc(=O)[nH]c2c1cncc2 H50121 [0,0,0,0,0,0|2,0,2]=4 7 B12R2.24 c1cc2c(nc1)NC(=O)CO2 L08473 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.24 c1ccc2c(c1)CCC(=O)C2 L01053 [0,0,0,0,0,0|1,0,0]=1 9 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [0,0,0,0,0,0|1,0,0]=1 10 B12R2.24 c1ccc2c(c1)CCC(=O)O2 B21229 [0,0,0,0,0,0|0,0,0]=0 11 B12R2.24 c1ccc2c(c1)CCC(C2)N H66652 [0,0,0,0,0,0|2,0,1]=3 12 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [0,0,0,0,0,0|2,0,0]=2 13 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [0,0,0,0,0,0|2,0,0]=2 14 B12R2.24 c1ccc2c(c1)NC(=O)CS2 A11091 [0,0,0,0,0,0|2,0,0]=2 15 B12R2.24 c1ccc2c(c1)cc(cn2)Br A14573 [0,0,0,0,0,0|3,0,1]=4 16 B12R2.24 c1ccc2c(c1)cc(cn2)N A16592 [0,0,0,0,0,0|3,0,1]=4 17 B12R2.24 c1ccc2c(c1)cc(cn2)[Zn+] H58426 [0,0,0,0,0,0|3,0,1]=4 18 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [0,0,0,0,0,0|0,0,2]=2 19 B12R2.24 c1ccc2c(c1)ccc(n2)Br H27302 [0,0,0,0,0,0|2,0,2]=4 20 B12R2.24 c1ccc2c(c1)ccc(n2)Cl B23443 [0,0,0,0,0,0|2,0,2]=4 21 B12R2.24 c1ccc2c(c1)ccc(n2)O B23064 [0,0,0,0,0,0|1,0,3]=4 22 B12R2.24 c1ccc2c(c1)ccc(n2)S H55749 [0,0,0,0,0,0|1,1,2]=4 23 B12R2.24 c1ccc2c(c1)ncc(n2)Br H61967 [0,0,0,0,0,0|3,0,1]=4 24 B12R2.24 c1ccc2cc(ccc2c1)Br A15300 [0,0,0,0,0,0|2,0,2]=4 25 B12R2.24 c1ccc2cc(ccc2c1)O A14564 [0,0,0,0,0,0|1,0,3]=4 26 B12R2.24 c1ccc2cc(ccc2c1)[Mg+] H51160 [0,0,0,0,0,0|2,0,2]=4 27 B12R2.24 c1ccc2cnc(cc2c1)O L19428 [0,0,0,0,0,0|2,0,2]=4 28 B11R2.20 c1ccc2c(c1)CCC=C2 L11430 [1,0,0,0,0,0|1,0,0]=2 29 B11R2.20 c1ccc2c(c1)CCCC2 A14962 [1,0,0,0,0,0|1,0,1]=3 30 B11R2.20 c1ccc2c(c1)CCCN2 B22750 [1,0,0,0,0,0|1,0,1]=3 31 B11R2.20 c1ccc2c(c1)CCNC2 L08143 [1,0,0,0,0,0|2,0,0]=3 32 B11R2.20 c1ccc2c(c1)CCOC2 A12566 [1,0,0,0,0,0|2,0,0]=3 33 B11R2.20 c1ccc2c(c1)NCCN2 H55473 [1,0,0,0,0,0|2,0,1]=4 34 B11R2.20 c1ccc2c(c1)NCCO2 H33641 [1,0,0,0,0,0|1,0,1]=3 35 B11R2.20 c1ccc2c(c1)NCCS2 H61045 [1,0,0,0,0,0|1,1,1]=4 36 B11R2.20 c1ccc2c(c1)OCCO2 A17558 [1,0,0,0,0,0|1,0,1]=3 37 B11R2.20 c1ccc2c(c1)ccc[nH+]2 H55300 [1,0,0,0,0,0|1,0,2]=4 38 B11R2.20 c1ccc2c(c1)cccn2 43225 [1,0,0,0,0,0|1,0,2]=4 39 B11R2.20 c1ccc2c(c1)cccn2 A11545 [1,0,0,0,0,0|1,0,2]=4 40 B11R2.20 c1ccc2c(c1)cncn2 B24094 [1,0,0,0,0,0|2,0,1]=4 41 B11R2.20 c1ccc2c(c1)nccn2 A14055 [1,0,0,0,0,0|2,0,1]=4 42 B11R2.20 c1ccc2ccccc2c1 33347 [1,0,0,0,0,0|1,0,2]=4 43 B11R2.20 c1ccc2ccccc2c1 A13188 [1,0,0,0,0,0|1,0,2]=4 44 B11R2.20 c1ccc2cnccc2c1 B21279 [1,0,0,0,0,0|2,0,1]=4 45 B13R2.32 CC1CCc2ccccc2C1=O H31865 [0,1,0,0,0,0|2,0,1]=4 46 B13R2.32 CN1c2ccccc2OCC1=O H27196 [0,1,0,0,0,0|2,0,0]=3 47 B13R2.32 Cn1c2ccccc2ccc1=O L09410 [0,1,0,0,0,0|1,0,2]=4 48 B13R2.57 c1ccc2c(c1)OCC(O2)CBr B22149 [0,1,0,0,0,0|2,0,1]=4 49 B13R2.57 c1ccc2c(c1)OCC(O2)CCl L04137 [0,1,0,0,0,0|2,0,1]=4 50 B13R2.57 c1ccc2c(c1)OCC(O2)CO A14170 [0,1,0,0,0,0|1,0,2]=4 51 B13R2.57 c1ccc2c(c1)cc(cn2)C=O L13815 [0,1,0,0,0,0|2,0,1]=4 52 B13R2.57 c1ccc2c(c1)ccc(n2)C=O L20202 [0,1,0,0,0,0|1,0,2]=4 53 B13R2.57 c1ccc2cc(ccc2c1)C=O B25157 [0,1,0,0,0,0|1,0,2]=4 54 B13R2.155 c1cc(cc2c1ccc(=O)o2)O L04082 [0,1,0,0,0,0|0,0,2]=3 55 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 H27493 [0,1,0,0,0,0|2,0,0]=3 56 B13R2.155 c1cc2c(cc1Br)NC(=O)CS2 H61077 [0,1,0,0,0,0|2,0,0]=3 57 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 H27485 [0,1,0,0,0,0|1,0,0]=2 58 B13R2.222 CC1(CNc2ccccc2O1)C H61058 [0,1,0,0,0,0|2,0,1]=4 59 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O A15538 [0,1,0,0,0,0|2,0,1]=4 60 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 A14603 [0,1,0,0,0,0|2,0,1]=4 61 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O A14394 [0,1,0,0,0,0|0,0,2]=3 62 B13R2.369 CC1C(=O)Nc2ccccc2O1 H61075 [0,1,0,0,0,0|2,0,0]=3 63 B13R2.369 CC1C(=O)Nc2ccccc2S1 H61012 [0,1,0,0,0,0|2,0,0]=3 64 B13R2.369 Cc1c(=O)[nH]c2ccccc2n1 H51733 [0,1,0,0,0,0|2,0,1]=4 65 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl H27494 [0,1,0,0,0,0|0,0,2]=3 66 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N L14031 [0,1,0,0,0,0|0,0,2]=3 67 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 A19382 [0,1,0,0,0,0|0,0,2]=3 68 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)Br H54095 [0,1,0,0,0,0|1,0,2]=4 69 B13R2.3683 c1cc(=O)oc2c1cc(cc2)N L11168 [0,1,0,0,0,0|0,0,2]=3 70 B13R2.3683 c1cc2c(cc1Br)CCC(=O)N2 H37968 [0,1,0,0,0,0|1,0,0]=2 71 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 H61082 [0,1,0,0,0,0|2,0,0]=3 72 B13R2.3683 c1cc2c(cc1Br)SCC(=O)N2 H27563 [0,1,0,0,0,0|2,0,0]=3 73 B13R2.3683 c1cc2c(cc1Cl)SCC(=O)N2 H27157 [0,1,0,0,0,0|2,0,0]=3 74 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 H31534 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.17 c1ccc(c(c1)CCCO)Br H63884 [0,0,1,0,0,0|1,0,2]=4 76 B11R1.40 C=CC(=O)Oc1ccccc1 L11819 [0,0,1,0,0,0|0,0,2]=3 77 B11R1.40 CC(CN)Oc1ccccc1 H50720 [0,0,1,0,0,0|2,0,1]=4 78 B11R1.40 CCC(=O)Nc1ccccc1 H31832 [0,0,1,0,0,0|1,0,0]=2 79 B11R1.40 CCN(C)Cc1ccccc1 L08520 [0,0,1,0,0,0|3,0,0]=4 80 B11R1.40 COC(=O)Cc1ccccc1 A15537 [0,0,1,0,0,0|2,0,0]=3 81 B11R1.40 COC(=O)Nc1cccnc1 H63484 [0,0,1,0,0,0|3,0,0]=4 82 B11R1.40 COC(=O)Oc1ccccc1 B25232 [0,0,1,0,0,0|1,0,0]=2 83 B11R1.40 c1ccc(cc1)NC(=O)NN B25578 [0,0,1,0,0,0|3,0,0]=4 84 B11R1.40 c1ccc(cc1)OC(=O)CBr H60464 [0,0,1,0,0,0|1,0,0]=2 85 B11R1.41 CCOc1ccccc1CO A15477 [0,0,1,0,0,0|2,0,1]=4 86 B11R1.41 CCc1ccccc1N=C=O L15252 [0,0,1,0,0,0|1,0,1]=3 87 B11R1.41 CCc1ccccc1N=C=S L09821 [0,0,1,0,0,0|1,1,1]=4 88 B11R1.41 COc1ccccc1N=C=O A18075 [0,0,1,0,0,0|2,0,1]=4 89 B11R1.41 c1ccc(c(c1)CCl)N=C=O L15995 [0,0,1,0,0,0|2,0,1]=4 90 B11R1.86 CC(=O)Cc1ccccc1Cl L09846 [0,0,1,0,0,0|2,0,0]=3 91 B11R1.86 CC(=O)Cc1ccccc1F H61535 [0,0,1,0,0,0|2,0,0]=3 92 B11R1.86 CC(=O)Nc1ccccc1Br L20132 [0,0,1,0,0,0|2,0,0]=3 93 B11R1.86 CC(=O)Nc1ccccc1Cl A14711 [0,0,1,0,0,0|2,0,0]=3 94 B11R1.86 CC(=O)Nc1ccccc1F A16927 [0,0,1,0,0,0|2,0,0]=3 95 B11R1.86 CC(=O)Nc1ccccc1N H27343 [0,0,1,0,0,0|2,0,0]=3 96 B11R1.86 CC(=O)Nc1ccccc1O B21264 [0,0,1,0,0,0|2,0,0]=3 97 B11R1.86 CC(C)Oc1ccccc1Br B25688 [0,0,1,0,0,0|2,0,1]=4 98 B11R1.86 CC(C)Oc1ccccc1O L07360 [0,0,1,0,0,0|2,0,1]=4 99 B11R1.86 Cc1ccccc1CC(=O)Cl H37418 [0,0,1,0,0,0|2,0,0]=3 100 B11R1.86 Cc1ccccc1CC(=O)O A15783 [0,0,1,0,0,0|2,0,0]=3 101 B11R1.86 Cc1ccccc1CC(=S)N H33111 [0,0,1,0,0,0|2,1,0]=4 102 B11R1.86 Cc1ccccc1NC(=O)C A13235 [0,0,1,0,0,0|1,0,0]=2 103 B11R1.86 Cc1ccccc1NC(=O)N B23086 [0,0,1,0,0,0|2,0,0]=3 104 B11R1.86 Cc1ccccc1NC(=S)N B22350 [0,0,1,0,0,0|2,1,0]=4 105 B11R1.86 c1ccc(c(c1)CC(=O)O)Br A16900 [0,0,1,0,0,0|3,0,0]=4 106 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl A15834 [0,0,1,0,0,0|3,0,0]=4 107 B11R1.86 c1ccc(c(c1)CC(=O)O)F A10596 [0,0,1,0,0,0|3,0,0]=4 108 B11R1.86 c1ccc(c(c1)CC(=O)O)I L15116 [0,0,1,0,0,0|3,0,0]=4 109 B11R1.86 c1ccc(c(c1)CC(=O)O)O A13924 [0,0,1,0,0,0|3,0,0]=4 110 B11R1.86 c1ccc(c(c1)NC(=O)N)F L01247 [0,0,1,0,0,0|3,0,0]=4 111 B11R1.91 B(CCc1ccccc1)(O)O H52502 [0,0,1,0,0,0|1,0,1]=3 112 B11R1.91 CC(=C)COc1ccccc1 B22369 [0,0,1,0,0,0|3,0,0]=4 113 B11R1.91 CC(=N)SCc1ccccc1 H51844 [0,0,1,0,0,0|3,0,0]=4 114 B11R1.91 CC(=O)C#Cc1ccccc1 H27826 [0,0,1,0,0,0|1,0,2]=4 115 B11R1.91 CC(=O)CCc1ccccc1 B22777 [0,0,1,0,0,0|1,0,0]=2 116 B11R1.91 CC(=O)NCc1cccnc1 B21862 [0,0,1,0,0,0|3,0,0]=4 117 B11R1.91 CC(=O)NNc1ccccc1 A14446 [0,0,1,0,0,0|3,0,0]=4 118 B11R1.91 CC(=O)OCc1ccccc1 B23472 [0,0,1,0,0,0|2,0,0]=3 119 B11R1.91 CC(=O)\C=C\c1ccccc1 A13537 [0,0,1,0,0,0|1,0,2]=4 120 B11R1.91 CC(CCc1ccccc1)N A18804 [0,0,1,0,0,0|2,0,1]=4 121 B11R1.91 CC(CCc1ccccc1)O L05970 [0,0,1,0,0,0|1,0,1]=3 122 B11R1.91 CC(COc1ccccc1)O L04596 [0,0,1,0,0,0|2,0,1]=4 123 B11R1.91 C[C@@H](CCc1ccccc1)O L18886 [0,0,1,0,0,0|1,0,1]=3 124 B11R1.91 C[C@H](CCc1ccccc1)O L18885 [0,0,1,0,0,0|1,0,1]=3 125 B11R1.91 c1cc(cnc1)CCC(=O)O H58619 [0,0,1,0,0,0|1,0,0]=2 126 B11R1.91 c1cc(cnc1)CCC(=O)O L14007 [0,0,1,0,0,0|1,0,0]=2 127 B11R1.91 c1cc(cnc1)OCC(=O)O B24780 [0,0,1,0,0,0|2,0,0]=3 128 B11R1.91 c1cc(cnc1)\C=C\C(=O)O A14747 [0,0,1,0,0,0|1,0,2]=4 129 B11R1.91 c1ccc(cc1)C#CC(=O)O A15163 [0,0,1,0,0,0|0,0,2]=3 130 B11R1.91 c1ccc(cc1)CCC(=O)Cl A10860 [0,0,1,0,0,0|1,0,0]=2 131 B11R1.91 c1ccc(cc1)CCC(=O)O A14908 [0,0,1,0,0,0|0,0,0]=1 132 B11R1.91 c1ccc(cc1)CNC(=O)N B24945 [0,0,1,0,0,0|2,0,0]=3 133 B11R1.91 c1ccc(cc1)CNC(=S)N L09400 [0,0,1,0,0,0|2,1,0]=4 134 B11R1.91 c1ccc(cc1)COC(=O)Cl A15682 [0,0,1,0,0,0|2,0,0]=3 135 B11R1.91 c1ccc(cc1)COC(=O)N A11569 [0,0,1,0,0,0|2,0,0]=3 136 B11R1.91 c1ccc(cc1)CSC(=[NH2+])N A15914 [0,0,1,0,0,0|3,0,0]=4 137 B11R1.91 c1ccc(cc1)NCC(=O)O A14182 [0,0,1,0,0,0|1,0,0]=2 138 B11R1.91 c1ccc(cc1)NNC(=O)N B22331 [0,0,1,0,0,0|3,0,0]=4 139 B11R1.91 c1ccc(cc1)OCC(=O)Cl A13761 [0,0,1,0,0,0|2,0,0]=3 140 B11R1.91 c1ccc(cc1)OCC(=O)N A14934 [0,0,1,0,0,0|2,0,0]=3 141 B11R1.91 c1ccc(cc1)OCC(=O)O A12541 [0,0,1,0,0,0|1,0,0]=2 142 B11R1.91 c1ccc(cc1)OCC(=S)N H26478 [0,0,1,0,0,0|2,1,0]=4 143 B11R1.91 c1ccc(cc1)SCC(=O)O B22280 [0,0,1,0,0,0|1,0,0]=2 144 B11R1.91 c1ccc(cc1)\C=C\C(=O)Cl A12016 [0,0,1,0,0,0|1,0,2]=4 145 B11R1.91 c1ccc(cc1)\C=C\C(=O)N A13429 [0,0,1,0,0,0|1,0,2]=4 146 B11R1.91 c1ccc(cc1)\C=C\C(=O)O A13538 [0,0,1,0,0,0|0,0,2]=3 147 B11R1.91 c1cnc(nc1)SCC(=O)O A10659 [0,0,1,0,0,0|3,0,0]=4 148 B11R1.91 c1cnccc1CCC(=O)O H58655 [0,0,1,0,0,0|1,0,0]=2 149 B11R1.91 c1cnccc1SCC(=O)O B21499 [0,0,1,0,0,0|2,0,0]=3 150 B11R1.91 c1cnccc1\C=C\C(=O)O L13458 [0,0,1,0,0,0|1,0,2]=4 151 B11R2.1 B1(c2ccccc2CO1)O L15192 [0,0,0,0,1,0|2,0,1]=4 152 B11R2.1 Cc1c[nH]c2c1cccc2 L03890 [0,0,0,0,1,0|2,0,1]=4 153 B11R2.1 Cc1csc2c1cccc2 A15772 [0,0,0,0,1,0|2,0,1]=4 154 B11R2.1 c1ccc2c(c1)C(=O)CO2 A10202 [0,0,0,0,1,0|1,0,0]=2 155 B11R2.1 c1ccc2c(c1)C(=O)N=N2 L05860 [0,0,0,0,1,0|2,0,0]=3 156 B11R2.1 c1ccc2c(c1)CCC2=O A11056 [0,0,0,0,1,0|0,0,0]=1 157 B11R2.1 c1ccc2c(c1)CCC2N A16585 [0,0,0,0,1,0|1,0,1]=3 158 B11R2.1 c1ccc2c(c1)CCC2O B24536 [0,0,0,0,1,0|0,0,2]=3 159 B11R2.1 c1ccc2c(c1)CC[C@@H]2N L19303 [0,0,0,0,1,0|1,0,1]=3 160 B11R2.1 c1ccc2c(c1)CC[C@H]2N L19302 [0,0,0,0,1,0|1,0,1]=3 161 B11R2.1 c1ccc2c(c1)COC2=O A15516 [0,0,0,0,1,0|1,0,0]=2 162 B11R2.1 c1ccc2c(c1)c(=O)[nH]o2 H50899 [0,0,0,0,1,0|2,0,0]=3 163 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 H60492 [0,0,0,0,1,0|2,0,0]=3 164 B11R2.1 c1ccc2c(c1)c(c[nH]2)I H66490 [0,0,0,0,1,0|2,0,1]=4 165 B11R2.1 c1ccc2c(c1)c(cs2)Br H32948 [0,0,0,0,1,0|2,0,1]=4 166 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br H37775 [0,0,0,0,1,0|3,0,0]=4 167 B11R2.1 c1ccc2c(c1)c(n[nH]2)N H33435 [0,0,0,0,1,0|3,0,0]=4 168 B11R2.1 c1ccc2c(c1)c(ns2)Cl L17791 [0,0,0,0,1,0|3,0,0]=4 169 B11R2.1 c1ccn2c(c1)n[nH]c2=O L18705 [0,0,0,0,1,0|3,0,0]=4 170 B11R2.10 CC1=Cc2ccccc2C1 H26875 [0,0,0,0,1,0|2,0,0]=3 171 B11R2.10 Cc1[nH]c2ccccc2n1 A17290 [0,0,0,0,1,0|3,0,0]=4 172 B11R2.10 Cc1cc2ccccc2[nH]1 A10764 [0,0,0,0,1,0|2,0,1]=4 173 B11R2.10 Cc1cc2ccccc2s1 H32224 [0,0,0,0,1,0|1,1,1]=4 174 B11R2.10 Cc1nc2ccccc2o1 A13198 [0,0,0,0,1,0|2,0,0]=3 175 B11R2.10 Cc1nc2ccccc2s1 A13427 [0,0,0,0,1,0|2,1,0]=4 176 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 H66234 [0,0,0,0,1,0|2,0,0]=3 177 B11R2.10 c1ccc2c(c1)CC(=C2)Br B25474 [0,0,0,0,1,0|2,0,0]=3 178 B11R2.10 c1ccc2c(c1)CC(=O)C2 A12574 [0,0,0,0,1,0|1,0,0]=2 179 B11R2.10 c1ccc2c(c1)CC(=O)N2 A18764 [0,0,0,0,1,0|1,0,0]=2 180 B11R2.10 c1ccc2c(c1)CC(=O)O2 A18617 [0,0,0,0,1,0|0,0,0]=1 181 B11R2.10 c1ccc2c(c1)CC(C2)N H31023 [0,0,0,0,1,0|2,0,1]=4 182 B11R2.10 c1ccc2c(c1)CC(C2)N L14083 [0,0,0,0,1,0|2,0,1]=4 183 B11R2.10 c1ccc2c(c1)CC(C2)O L01766 [0,0,0,0,1,0|1,0,2]=4 184 B11R2.10 c1ccc2c(c1)OP(O2)Cl B22712 [0,0,0,0,1,0|3,0,0]=4 185 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 A19378 [0,0,0,0,1,0|1,0,0]=2 186 B11R2.10 c1ccc2c(c1)[nH]c(n2)Br H26183 [0,0,0,0,1,0|3,0,0]=4 187 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl A12193 [0,0,0,0,1,0|3,0,0]=4 188 B11R2.10 c1ccc2c(c1)[nH]c(n2)N L02066 [0,0,0,0,1,0|3,0,0]=4 189 B11R2.10 c1ccc2c(c1)[nH]c(n2)O A18324 [0,0,0,0,1,0|2,0,1]=4 190 B11R2.10 c1ccc2c(c1)[nH]c(n2)S A18350 [0,0,0,0,1,0|2,1,0]=4 191 B11R2.10 c1ccc2c(c1)nc(o2)Cl L07981 [0,0,0,0,1,0|2,0,0]=3 192 B11R2.10 c1ccc2c(c1)nc(o2)S A12346 [0,0,0,0,1,0|1,1,0]=3 193 B11R2.10 c1ccc2c(c1)nc(s2)Br H63286 [0,0,0,0,1,0|2,1,0]=4 194 B11R2.10 c1ccc2c(c1)nc(s2)Cl A17762 [0,0,0,0,1,0|2,1,0]=4 195 B11R2.10 c1ccc2c(c1)nc(s2)F L19316 [0,0,0,0,1,0|2,1,0]=4 196 B11R2.10 c1ccc2c(c1)nc(s2)N A13521 [0,0,0,0,1,0|2,1,0]=4 197 B11R2.10 c1ccc2c(c1)nc(s2)O A16648 [0,0,0,0,1,0|1,1,1]=4 198 B11R2.10 c1ccc2c(c1)nc(s2)S A14086 [0,0,0,0,1,0|1,2,0]=4 199 B13R2.163 c1ccc2c(c1)CCCC(=O)N2 H63576 [0,0,0,0,0,1|1,0,0]=2 200 B10R1.17 C#CCCc1ccccc1 L12946 [1,0,1,0,0,0|1,0,1]=4 201 B10R1.17 C=CCNc1ccccc1 H55821 [1,0,1,0,0,0|2,0,0]=4 202 B10R1.17 C=CCOc1ccccc1 L03359 [1,0,1,0,0,0|2,0,0]=4 203 B10R1.17 C=CCSc1ccccc1 L04771 [1,0,1,0,0,0|2,0,0]=4 204 B10R1.17 CCC#Cc1ccccc1 A11332 [1,0,1,0,0,0|1,0,1]=4 205 B10R1.17 CCCCc1ccccc1 A10910 [1,0,1,0,0,0|1,0,1]=4 206 B10R1.17 CCNCc1ccccc1 L05651 [1,0,1,0,0,0|2,0,0]=4 207 B10R1.17 c1ccc(cc1)CCC#N L06483 [1,0,1,0,0,0|1,0,1]=4 208 B10R1.17 c1ccc(cc1)CCC=O A10367 [1,0,1,0,0,0|0,0,0]=2 209 B10R1.17 c1ccc(cc1)CCCBr A14050 [1,0,1,0,0,0|1,0,1]=4 210 B10R1.17 c1ccc(cc1)CCCCl B20445 [1,0,1,0,0,0|1,0,1]=4 211 B10R1.17 c1ccc(cc1)CCCI H53420 [1,0,1,0,0,0|1,0,1]=4 212 B10R1.17 c1ccc(cc1)CCCN L03023 [1,0,1,0,0,0|1,0,1]=4 213 B10R1.17 c1ccc(cc1)CCCO A13022 [1,0,1,0,0,0|0,0,1]=3 214 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [1,0,1,0,0,0|1,0,1]=4 215 B10R1.17 c1ccc(cc1)CN=C=O L02633 [1,0,1,0,0,0|1,0,1]=4 216 B10R1.17 c1ccc(cc1)CNC=O B23722 [1,0,1,0,0,0|1,0,0]=3 217 B10R1.17 c1ccc(cc1)COC=O L13405 [1,0,1,0,0,0|1,0,0]=3 218 B10R1.17 c1ccc(cc1)NCCO B22131 [1,0,1,0,0,0|1,0,1]=4 219 B10R1.17 c1ccc(cc1)OCCBr B21087 [1,0,1,0,0,0|1,0,1]=4 220 B10R1.17 c1ccc(cc1)OCCCl L11345 [1,0,1,0,0,0|1,0,1]=4 221 B10R1.17 c1ccc(cc1)OCCN A12225 [1,0,1,0,0,0|1,0,1]=4 222 B10R1.17 c1ccc(cc1)OCCO A10786 [1,0,1,0,0,0|1,0,1]=4 223 B10R1.17 c1ccc(cc1)SCCO A10861 [1,0,1,0,0,0|1,0,1]=4 224 B10R1.17 c1ccc(cc1)\C=C\C=O A14689 [1,0,1,0,0,0|0,0,2]=4 225 B10R1.17 c1ccc(cc1)\C=C\CBr L01420 [1,0,1,0,0,0|2,0,0]=4 226 B10R1.17 c1ccc(cc1)\C=C\CCl A14408 [1,0,1,0,0,0|2,0,0]=4 227 B10R1.17 c1ccc(cc1)\C=C\CO A13025 [1,0,1,0,0,0|2,0,0]=4 228 B10R1.4 C=CCc1ccccc1O A10755 [1,0,1,0,0,0|0,0,1]=3 229 B10R1.4 CCCc1ccccc1O A11088 [1,0,1,0,0,0|0,0,1]=3 230 B10R1.4 CCNc1ccccc1C A11315 [1,0,1,0,0,0|1,0,1]=4 231 B10R1.4 CCOc1ccccc1O B24755 [1,0,1,0,0,0|1,0,1]=4 232 B10R1.4 Cc1ccccc1CCN H28320 [1,0,1,0,0,0|2,0,0]=4 233 B10R1.4 Cc1ccccc1CNC H63956 [1,0,1,0,0,0|2,0,0]=4 234 B10R1.4 Cc1ccccc1N=C=O L12247 [1,0,1,0,0,0|1,0,1]=4 235 B10R1.4 Cc1ccccc1NC=O B25134 [1,0,1,0,0,0|1,0,0]=3 236 B10R1.4 c1ccc(c(c1)CCN)Br H60739 [1,0,1,0,0,0|2,0,0]=4 237 B10R1.4 c1ccc(c(c1)CCO)F L19998 [1,0,1,0,0,0|1,0,1]=4 238 B10R1.20 CCc1ccccc1CC A19548 [1,0,1,0,0,0|1,0,1]=4 239 B10R1.20 CCc1ccccc1CC L18775 [1,0,1,0,0,0|1,0,1]=4 240 B10R1.20 CCc1ccccc1NN A16853 [1,0,1,0,0,0|2,0,0]=4 241 B10R1.20 COc1c(cccn1)C=O H50087 [1,0,1,0,0,0|2,0,0]=4 242 B10R1.20 COc1ccccc1C=O A10770 [1,0,1,0,0,0|1,0,0]=3 243 B10R1.20 COc1ccccc1CN L02273 [1,0,1,0,0,0|1,0,1]=4 244 B10R1.20 COc1ccccc1CO A14016 [1,0,1,0,0,0|1,0,1]=4 245 B10R1.20 COc1ccccc1C[Mg+] H54177 [1,0,1,0,0,0|1,0,1]=4 246 B10R1.20 COc1ccccc1OC A11985 [1,0,1,0,0,0|1,0,1]=4 247 B10R1.20 c1ccc(c(c1)C=O)C#N H29027 [1,0,1,0,0,0|1,0,1]=4 248 B10R1.20 c1ccc(c(c1)C=O)C=O A13299 [1,0,1,0,0,0|1,0,1]=4 249 B10R1.18 CC(=C)Cc1ccccc1 B20370 [1,0,1,0,0,0|2,0,0]=4 250 B10R1.18 CC(=O)C[n+]1ccccc1 A16015 [1,0,1,0,0,0|2,0,0]=4 251 B10R1.18 CC(=O)C[n+]1ccccc1 B24490 [1,0,1,0,0,0|2,0,0]=4 252 B10R1.18 CC(=O)Cc1ccncc1 L18667 [1,0,1,0,0,0|2,0,0]=4 253 B10R1.18 CC(=O)Nc1ccccc1 A14361 [1,0,1,0,0,0|1,0,0]=3 254 B10R1.18 CC(=O)Oc1ccccc1 B22561 [1,0,1,0,0,0|0,0,0]=2 255 B10R1.18 CC(=O)Oc1ccccc1 L19598 [1,0,1,0,0,0|0,0,0]=2 256 B10R1.18 CC(=O)Sc1ccccc1 H55175 [1,0,1,0,0,0|0,1,0]=3 257 B10R1.18 c1ccc(cc1)CC(=O)Cl B24987 [1,0,1,0,0,0|2,0,0]=4 258 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [1,0,1,0,0,0|2,0,0]=4 259 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [1,0,1,0,0,0|2,0,0]=4 260 B10R1.18 c1ccc(cc1)NC(=O)N L01306 [1,0,1,0,0,0|2,0,0]=4 261 B10R1.18 c1ccc(cc1)OC(=O)Cl A12618 [1,0,1,0,0,0|1,0,0]=3 262 B10R1.18 c1ccc(cc1)OC(=O)N L00944 [1,0,1,0,0,0|1,0,0]=3 263 B10R1.18 c1ccc(cc1)OC(=S)Cl L00838 [1,0,1,0,0,0|1,1,0]=4 264 B12R1.125 CC(=O)NCc1ccccc1Br H50599 [0,1,1,0,0,0|2,0,0]=4 265 B12R1.125 Cc1ccccc1CCC(=O)O H34375 [0,1,1,0,0,0|1,0,0]=3 266 B12R1.125 Cc1ccccc1OCC(=O)O A13076 [0,1,1,0,0,0|2,0,0]=4 267 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br H33933 [0,1,1,0,0,0|1,0,0]=3 268 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl L15306 [0,1,1,0,0,0|1,0,0]=3 269 B12R1.125 c1ccc(c(c1)CCC(=O)O)F H34110 [0,1,1,0,0,0|1,0,0]=3 270 B12R1.125 c1ccc(c(c1)CCC(=O)O)O A14195 [0,1,1,0,0,0|0,0,0]=2 271 B12R1.125 c1ccc(c(c1)O)OCC(=O)O L03897 [0,1,1,0,0,0|1,0,0]=3 272 B12R1.125 c1ccc(c(c1)OCC(=O)N)Cl B25223 [0,1,1,0,0,0|2,0,0]=4 273 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl L00926 [0,1,1,0,0,0|2,0,0]=4 274 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)O A11740 [0,1,1,0,0,0|0,0,2]=4 275 B12R1.32 CCOC(=O)Cc1ccccc1 A19356 [0,1,1,0,0,0|1,0,0]=3 276 B12R1.32 CCOC(=O)Cc1ccccn1 B23988 [0,1,1,0,0,0|2,0,0]=4 277 B12R1.32 CCOC(=O)Cc1cccnc1 A14768 [0,1,1,0,0,0|2,0,0]=4 278 B12R1.32 CCOC(=O)Cc1ccncc1 A14550 [0,1,1,0,0,0|2,0,0]=4 279 B12R1.32 CCOC(=O)Nc1ccccc1 L05027 [0,1,1,0,0,0|1,0,0]=3 280 B12R1.34 COC(=O)C(c1ccccc1)Br L09043 [0,1,1,0,0,0|2,0,0]=4 281 B12R1.34 COC(=O)C(c1ccccc1)O L12706 [0,1,1,0,0,0|2,0,0]=4 282 B12R1.34 COC(=O)[C@@H](c1ccccc1)N L18735 [0,1,1,0,0,0|2,0,0]=4 283 B12R1.34 COC(=O)[C@@H](c1ccccc1)O L14065 [0,1,1,0,0,0|2,0,0]=4 284 B12R1.34 COC(=O)[C@H](c1ccccc1)N H62874 [0,1,1,0,0,0|2,0,0]=4 285 B12R1.34 COC(=O)[C@H](c1ccccc1)O L14070 [0,1,1,0,0,0|2,0,0]=4 286 B12R1.43 CC(=C)C(=O)Oc1ccccc1 L11978 [0,1,1,0,0,0|0,0,1]=3 287 B12R1.43 CC(C)C(=O)Cc1ccccc1 L07176 [0,1,1,0,0,0|1,0,0]=3 288 B12R1.75 CC(=O)Cc1ccccc1OC B24495 [0,1,1,0,0,0|2,0,0]=4 289 B12R1.75 CC(=O)Oc1ccccc1OC B20242 [0,1,1,0,0,0|1,0,0]=3 290 B12R1.75 COc1ccccc1CC(=O)O A15211 [0,1,1,0,0,0|2,0,0]=4 291 B12R1.169 CCOc1ccccc1N=C=O L11299 [0,1,1,0,0,0|1,0,1]=4 292 B12R1.169 CCOc1ccccc1OCC A17283 [0,1,1,0,0,0|1,0,1]=4 293 B12R1.283 CC(C)c1ccccc1N=C=O L10618 [0,1,1,0,0,0|1,0,1]=4 294 B12R1.124 CC(=O)N(C)c1ccccc1Cl B25282 [0,1,1,0,0,0|2,0,0]=4 295 B12R1.127 Cc1ccc(c(c1)CC(=O)O)C L02022 [0,1,1,0,0,0|2,0,0]=4 296 B12R1.127 Cc1ccc(c(c1)NC(=O)C)O B20630 [0,1,1,0,0,0|2,0,0]=4 297 B12R1.127 Cc1ccc(cc1CC(=O)O)F H26390 [0,1,1,0,0,0|2,0,0]=4 298 B12R1.224 Cc1c(cccc1Cl)NC(=O)C B22562 [0,1,1,0,0,0|1,0,0]=3 299 B12R1.224 Cc1c(cccc1F)CC(=O)O H26303 [0,1,1,0,0,0|2,0,0]=4 300 B12R1.224 Cc1cccc(c1C)CC(=O)O H63947 [0,1,1,0,0,0|2,0,0]=4 301 B12R1.1009 CC(=O)Nc1c(cccc1Cl)Cl A15195 [0,1,1,0,0,0|2,0,0]=4 302 B12R1.1009 Cc1cccc(c1NC(=O)C)C B25687 [0,1,1,0,0,0|1,0,0]=3 303 B12R1.27 C=CC(=O)NCc1ccccc1 L11450 [0,1,1,0,0,0|2,0,0]=4 304 B12R1.27 C=CC(=O)OCc1ccccc1 43204 [0,1,1,0,0,0|2,0,0]=4 305 B12R1.27 CCC(=O)OCc1ccccc1 B23186 [0,1,1,0,0,0|2,0,0]=4 306 B12R1.27 COC(=O)C#Cc1ccccc1 B24587 [0,1,1,0,0,0|0,0,2]=4 307 B12R1.27 COC(=O)CCc1ccccc1 L05310 [0,1,1,0,0,0|0,0,0]=2 308 B12R1.27 COC(=O)CCc1cccnc1 L14590 [0,1,1,0,0,0|1,0,0]=3 309 B12R1.27 COC(=O)CSc1ccccc1 L12649 [0,1,1,0,0,0|1,0,0]=3 310 B12R1.27 COC(=O)\C=C\c1ccccc1 A15975 [0,1,1,0,0,0|0,0,2]=4 311 B12R1.27 c1ccc(cc1)COC(=O)CBr A17630 [0,1,1,0,0,0|2,0,0]=4 312 B12R1.27 c1ccc(cc1)COC(=O)CN H50247 [0,1,1,0,0,0|2,0,0]=4 313 B12R1.27 c1ccc(cc1)COC(=O)CN H56016 [0,1,1,0,0,0|2,0,0]=4 314 B12R1.27 c1ccc(cc1)COC(=O)NN A13005 [0,1,1,0,0,0|2,0,0]=4 315 B12R1.27 c1ccc(cc1)COC(=O)NO L13175 [0,1,1,0,0,0|1,0,0]=3 316 B12R1.107 CC(=O)CC(=O)c1ccccc1 A14537 [0,1,1,0,0,0|1,0,1]=4 317 B12R1.107 CC(CC(=O)O)c1ccccc1 L08078 [0,1,1,0,0,0|0,0,0]=2 318 B12R1.107 c1ccc(cc1)C(CC(=O)O)N L19801 [0,1,1,0,0,0|0,0,0]=2 319 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N H52034 [0,1,1,0,0,0|0,0,0]=2 320 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O L19040 [0,1,1,0,0,0|0,0,0]=2 321 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O L19041 [0,1,1,0,0,0|0,0,0]=2 322 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl H35462 [0,1,1,0,0,0|1,0,1]=4 323 B12R1.891 c1cnccc1CCS(=O)(=O)O L11906 [0,1,1,0,0,0|2,0,0]=4 324 B12R2.1081 B1(c2ccccc2CCO1)O H52672 [1,1,0,0,0,0|2,0,0]=4 325 B12R2.1081 CC1c2ccccc2CCN1 H64191 [1,1,0,0,0,0|2,0,0]=4 326 B12R2.1081 c1cc2c(c(c1)Br)OCCO2 H27709 [1,1,0,0,0,0|1,0,1]=4 327 B12R2.1081 c1cc2c(c(c1)O)CCCC2 L02416 [1,1,0,0,0,0|1,0,1]=4 328 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 A11242 [1,1,0,0,0,0|0,0,2]=4 329 B12R2.1081 c1ccc2c(c1)C(CCO2)O A14940 [1,1,0,0,0,0|0,0,1]=3 330 B12R2.1081 c1ccc2c(c1)CCCC2=O A13303 [1,1,0,0,0,0|1,0,1]=4 331 B12R2.1081 c1ccc2c(c1)CCCC2N B25673 [1,1,0,0,0,0|1,0,1]=4 332 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N L17022 [1,1,0,0,0,0|1,0,1]=4 333 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N L17021 [1,1,0,0,0,0|1,0,1]=4 334 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O A15330 [0,1,0,0,1,0|1,0,1]=4 335 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 A12468 [0,1,0,0,1,0|1,0,1]=4 336 B12R2.18 c1ccc2c(c1)CC(C2=O)Br L12453 [0,1,0,0,1,0|0,0,0]=2 337 B12R2.18 c1ccc2c(c1)CC(C2O)Br A13511 [0,1,0,0,1,0|0,0,2]=4 338 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O H32066 [0,1,0,0,1,0|1,0,1]=4 339 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 L17559 [0,1,0,0,1,0|0,0,0]=2 340 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 H54003 [0,1,0,0,1,0|0,0,0]=2 341 B12R2.132 c1cc2c(cc1F)C(=O)CC2 L17095 [0,1,0,0,1,0|0,0,0]=2 342 B12R2.132 c1cc2c(cc1N)C(=O)OC2 A18896 [0,1,0,0,1,0|1,0,0]=3 343 B12R2.196 c1cc2c(c(c1)Br)CCC2=O H56937 [0,1,0,0,1,0|0,0,0]=2 344 B12R2.196 c1cc2c(c(c1)F)CCC2=O H59356 [0,1,0,0,1,0|0,0,0]=2 345 B12R2.196 c1cc2c(c(c1)O)CCC2=O H56184 [0,1,0,0,1,0|0,0,0]=2 346 B12R2.203 c1cc2c(c(c1)O)C(=O)CC2 H66850 [0,1,0,0,1,0|0,0,0]=2 347 B12R2.612 Cc1ccc2c(c1)CCC2=O H66814 [0,1,0,0,1,0|0,0,0]=2 348 B12R2.612 c1cc2c(cc1Br)CCC2=O B25707 [0,1,0,0,1,0|0,0,0]=2 349 B12R2.612 c1cc2c(cc1Br)CNC2=O H52358 [0,1,0,0,1,0|1,0,0]=3 350 B12R2.612 c1cc2c(cc1Br)COC2=O H33891 [0,1,0,0,1,0|1,0,0]=3 351 B12R2.612 c1cc2c(cc1Cl)CCC2=O A18308 [0,1,0,0,1,0|0,0,0]=2 352 B12R2.612 c1cc2c(cc1F)CCC2=O L10949 [0,1,0,0,1,0|0,0,0]=2 353 B12R2.612 c1cc2c(cc1N)CCC2=O H66425 [0,1,0,0,1,0|0,0,0]=2 354 B12R2.612 c1cc2c(cc1N)COC2=O H66457 [0,1,0,0,1,0|1,0,0]=3 355 B12R2.612 c1cc2c(cc1O)OCC2=O L10951 [0,1,0,0,1,0|1,0,0]=3 356 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O A12206 [0,1,0,0,1,0|0,0,1]=3 357 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O A12584 [0,1,0,0,1,0|1,0,1]=4 358 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O 41771 [0,1,0,0,1,0|1,0,1]=4 359 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O A14955 [0,1,0,0,1,0|1,0,1]=4 360 B12R2.2028 c1ccc2c(c1)C(=O)[N-]C2=O A11134 [0,1,0,0,1,0|1,0,1]=4 361 B12R2.32 CCC1=Cc2ccccc2C1 B23104 [0,1,0,0,1,0|2,0,0]=4 362 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O H54638 [0,1,0,0,1,0|1,0,1]=4 363 B12R2.32 c1ccc2c(c1)cc(o2)C=O L02456 [0,1,0,0,1,0|0,0,1]=3 364 B12R2.32 c1ccc2c(c1)cc(s2)C=O L19345 [0,1,0,0,1,0|0,1,1]=4 365 B12R2.32 c1ccc2c(c1)nc(s2)C=O H26122 [0,1,0,0,1,0|1,1,0]=4 366 B12R2.202 Cc1cccc2c1CC(=O)N2 H66430 [0,1,0,0,1,0|1,0,0]=3 367 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 H61511 [0,1,0,0,1,0|1,0,0]=3 368 B12R2.202 c1cc2c(c(c1)I)NC(=O)C2 H52337 [0,1,0,0,1,0|1,0,0]=3 369 B12R2.606 Cc1ccc2c(c1)[nH]c(=S)o2 B20515 [0,1,0,0,1,0|1,1,0]=4 370 B12R2.606 Cc1ccc2c(c1)nc(o2)C B21780 [0,1,0,0,1,0|2,0,0]=4 371 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 H50573 [0,1,0,0,1,0|1,0,0]=3 372 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 H56012 [0,1,0,0,1,0|1,0,0]=3 373 B12R2.606 c1cc2c(cc1Br)nc(o2)S H32237 [0,1,0,0,1,0|1,1,0]=4 374 B12R2.606 c1cc2c(cc1Br)oc(=O)[nH]2 H33984 [0,1,0,0,1,0|1,0,0]=3 375 B12R2.606 c1cc2c(cc1Br)sc(=O)[nH]2 H60385 [0,1,0,0,1,0|1,1,0]=4 376 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 A19210 [0,1,0,0,1,0|1,0,0]=3 377 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 A19674 [0,1,0,0,1,0|1,0,0]=3 378 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)o2 B24507 [0,1,0,0,1,0|1,0,0]=3 379 B12R2.606 c1cc2c(cc1Cl)nc(o2)S H32749 [0,1,0,0,1,0|1,1,0]=4 380 B12R2.606 c1cc2c(cc1F)CC(=O)N2 H32176 [0,1,0,0,1,0|1,0,0]=3 381 B12R2.606 c1cc2c(cc1F)nc(o2)S H31825 [0,1,0,0,1,0|1,1,0]=4 382 B14R2.4513 CN1c2cc(ccc2CCC1=O)Br H33197 [0,2,0,0,0,0|1,0,0]=3 383 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 B22432 [0,2,0,0,0,0|1,0,0]=3 384 B14R2.134 COc1ccc2ccc(=O)oc2c1 A15441 [0,2,0,0,0,0|0,0,2]=4 385 B14R2.134 c1cc2c(cc1O)C=C(CO2)C=O L14742 [0,2,0,0,0,0|2,0,0]=4 386 B14R2.781 c1ccc2c(c1)OCC(O2)C(=O)O B20661 [0,2,0,0,0,0|1,0,1]=4 387 B14R2.1128 c1ccc2c(c1)cc(c(=O)o2)C#N H27871 [0,2,0,0,0,0|0,0,2]=4 388 B14R2.2332 COc1ccc2c(c1)CCC(=O)C2 L11007 [0,2,0,0,0,0|1,0,0]=3 389 B14R2.2332 COc1ccc2c(c1)SCC(=O)N2 H27837 [0,2,0,0,0,0|2,0,0]=4 390 B14R2.8239 c1c2c(cc(c1Br)F)OCC(=O)N2 H62026 [0,2,0,0,0,0|2,0,0]=4 391 B14R2.8239 c1cc(=O)oc2c1cc(c(c2)O)O A15393 [0,2,0,0,0,0|0,0,2]=4 392 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)N A15017 [0,2,0,0,0,0|0,0,2]=4 393 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)O A10337 [0,2,0,0,0,0|0,0,2]=4 394 B14R2.8235 Cc1cc(=O)oc2c1cc(cc2)O L07192 [0,2,0,0,0,0|0,0,2]=4 395 B14R2.639 CC1(C(=O)Nc2ccccc2O1)C H61025 [0,2,0,0,0,0|2,0,0]=4 396 B14R2.639 CC1(C(=O)Nc2ccccc2S1)C H61081 [0,2,0,0,0,0|2,0,0]=4 397 B14R2.1146 COc1cc(=O)oc2c1cccc2 A13670 [0,2,0,0,0,0|0,0,2]=4 398 B12R2.315 CCc1cccc2c1[nH]cc2 L14875 [0,0,1,1,0,0|2,0,0]=4 399 B10R1.15 CCC(=O)c1ccccc1 A15140 [0,0,1,0,1,0|0,0,0]=2 400 B10R1.15 CCC(=O)c1cccnc1 L09711 [0,0,1,0,1,0|1,0,0]=3 401 B10R1.15 CCC(=O)c1ccncc1 L11552 [0,0,1,0,1,0|1,0,0]=3 402 B10R1.15 CCC(C)c1ccccc1 B22962 [0,0,1,0,1,0|1,0,1]=4 403 B10R1.15 CCC(c1ccccc1)O A10830 [0,0,1,0,1,0|0,0,2]=4 404 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [0,0,1,0,1,0|1,0,1]=4 405 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [0,0,1,0,1,0|0,0,2]=4 406 B10R1.15 CC[C@H](c1ccccc1)N L16319 [0,0,1,0,1,0|1,0,1]=4 407 B10R1.15 CC[C@H](c1ccccc1)O L05681 [0,0,1,0,1,0|0,0,2]=4 408 B10R1.15 CNC(=O)c1ccccc1 A18057 [0,0,1,0,1,0|1,0,0]=3 409 B10R1.15 COC(=O)c1ccccc1 44368 [0,0,1,0,1,0|1,0,0]=3 410 B10R1.15 COC(=O)c1ccccc1 A12404 [0,0,1,0,1,0|1,0,0]=3 411 B10R1.15 COC(=O)c1ccccn1 H54530 [0,0,1,0,1,0|2,0,0]=4 412 B10R1.15 COC(=O)c1cccnc1 B23908 [0,0,1,0,1,0|2,0,0]=4 413 B10R1.15 COC(=O)c1ccncc1 B23263 [0,0,1,0,1,0|2,0,0]=4 414 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [0,0,1,0,1,0|1,0,1]=4 415 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [0,0,1,0,1,0|1,0,0]=3 416 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [0,0,1,0,1,0|1,0,0]=3 417 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [0,0,1,0,1,0|1,0,0]=3 418 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [0,0,1,0,1,0|1,0,0]=3 419 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [0,0,1,0,1,0|2,0,0]=4 420 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [0,0,1,0,1,0|2,0,0]=4 421 B10R1.15 c1cnccc1C(=O)CBr H32285 [0,0,1,0,1,0|2,0,0]=4 422 B10R1.61 CC(=O)c1ccccc1Br A11982 [0,0,1,0,1,0|1,0,0]=3 423 B10R1.61 CC(=O)c1ccccc1Cl A15232 [0,0,1,0,1,0|1,0,0]=3 424 B10R1.61 CC(=O)c1ccccc1F A15128 [0,0,1,0,1,0|1,0,0]=3 425 B10R1.61 CC(=O)c1ccccc1I B25345 [0,0,1,0,1,0|1,0,0]=3 426 B10R1.61 CC(=O)c1ccccc1N A10895 [0,0,1,0,1,0|1,0,0]=3 427 B10R1.61 CC(=O)c1ccccc1O A12550 [0,0,1,0,1,0|1,0,0]=3 428 B10R1.61 Cc1c(nccn1)C(=O)C A15054 [0,0,1,0,1,0|2,0,0]=4 429 B10R1.61 Cc1ccccc1C(=C)C H26073 [0,0,1,0,1,0|1,0,0]=3 430 B10R1.61 Cc1ccccc1C(=O)C A11695 [0,0,1,0,1,0|0,0,0]=2 431 B10R1.61 Cc1ccccc1C(=O)Cl A10775 [0,0,1,0,1,0|1,0,0]=3 432 B10R1.61 Cc1ccccc1C(=O)O A13856 [0,0,1,0,1,0|1,0,0]=3 433 B10R1.61 Cc1ccccc1C(=S)N H51790 [0,0,1,0,1,0|1,1,0]=4 434 B10R1.61 Cc1ccccc1C(C)O L08065 [0,0,1,0,1,0|0,0,2]=4 435 B10R1.61 Cc1ccccc1[N+](=O)[O-] A13446 [0,0,1,0,1,0|2,0,0]=4 436 B10R1.61 Cc1ccncc1C(=O)C H33380 [0,0,1,0,1,0|1,0,0]=3 437 B10R1.61 Cc1ccncc1C(=O)O B22367 [0,0,1,0,1,0|2,0,0]=4 438 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br A14520 [0,0,1,0,1,0|2,0,0]=4 439 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl A14785 [0,0,1,0,1,0|2,0,0]=4 440 B10R1.61 c1ccc(c(c1)C(=O)Cl)F A16096 [0,0,1,0,1,0|2,0,0]=4 441 B10R1.61 c1ccc(c(c1)C(=O)Cl)I A13558 [0,0,1,0,1,0|2,0,0]=4 442 B10R1.61 c1ccc(c(c1)C(=O)N)Br A18331 [0,0,1,0,1,0|2,0,0]=4 443 B10R1.61 c1ccc(c(c1)C(=O)N)Cl A15706 [0,0,1,0,1,0|2,0,0]=4 444 B10R1.61 c1ccc(c(c1)C(=O)N)F L07870 [0,0,1,0,1,0|2,0,0]=4 445 B10R1.61 c1ccc(c(c1)C(=O)N)N A14756 [0,0,1,0,1,0|2,0,0]=4 446 B10R1.61 c1ccc(c(c1)C(=O)N)O A10797 [0,0,1,0,1,0|2,0,0]=4 447 B10R1.61 c1ccc(c(c1)C(=O)O)Br A13608 [0,0,1,0,1,0|2,0,0]=4 448 B10R1.61 c1ccc(c(c1)C(=O)O)Cl A10832 [0,0,1,0,1,0|2,0,0]=4 449 B10R1.61 c1ccc(c(c1)C(=O)O)F A11015 [0,0,1,0,1,0|2,0,0]=4 450 B10R1.61 c1ccc(c(c1)C(=O)O)I A10563 [0,0,1,0,1,0|2,0,0]=4 451 B10R1.61 c1ccc(c(c1)C(=O)O)N A12715 [0,0,1,0,1,0|2,0,0]=4 452 B10R1.61 c1ccc(c(c1)C(=O)O)O 30782 [0,0,1,0,1,0|2,0,0]=4 453 B10R1.61 c1ccc(c(c1)C(=O)O)O A12253 [0,0,1,0,1,0|2,0,0]=4 454 B10R1.61 c1ccc(c(c1)C(=O)O)S A13401 [0,0,1,0,1,0|2,0,0]=4 455 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 18585 [0,0,1,0,1,0|2,0,0]=4 456 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39356 [0,0,1,0,1,0|2,0,0]=4 457 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39379 [0,0,1,0,1,0|2,0,0]=4 458 B10R1.61 c1ccc(c(c1)C(=O)[O-])O A17056 [0,0,1,0,1,0|2,0,0]=4 459 B10R1.66 c1cc(oc1)CCC(=O)O H27273 [0,0,1,0,1,0|1,0,0]=3 460 B10R2.7 B1Oc2ccccc2O1 H30234 [1,0,0,0,1,0|2,0,0]=4 461 B10R2.7 B1Oc2ccccc2O1 L14998 [1,0,0,0,1,0|2,0,0]=4 462 B10R2.7 c1cc2c(cco2)nc1 H32966 [1,0,0,0,1,0|1,0,1]=4 463 B10R2.7 c1cc2c(nc1)CCC2 H25896 [1,0,0,0,1,0|1,0,1]=4 464 B10R2.7 c1cc2c(nc1)NCC2 H64551 [1,0,0,0,1,0|2,0,0]=4 465 B10R2.7 c1ccc2c(c1)CC=C2 A12192 [1,0,0,0,1,0|0,0,1]=3 466 B10R2.7 c1ccc2c(c1)CC=C2 L12665 [1,0,0,0,1,0|0,0,1]=3 467 B10R2.7 c1ccc2c(c1)CCC2 B21442 [1,0,0,0,1,0|0,0,1]=3 468 B10R2.7 c1ccc2c(c1)CCN2 A11000 [1,0,0,0,1,0|1,0,0]=3 469 B10R2.7 c1ccc2c(c1)CCO2 A11368 [1,0,0,0,1,0|0,0,0]=2 470 B10R2.7 c1ccc2c(c1)CNC2 H63012 [1,0,0,0,1,0|1,0,1]=4 471 B10R2.7 c1ccc2c(c1)COC2 45592 [1,0,0,0,1,0|1,0,1]=4 472 B10R2.7 c1ccc2c(c1)COC2 A10217 [1,0,0,0,1,0|1,0,1]=4 473 B10R2.7 c1ccc2c(c1)OCO2 A14192 [1,0,0,0,1,0|1,0,0]=3 474 B10R2.7 c1ccc2c(c1)[nH]cn2 A12763 [1,0,0,0,1,0|2,0,0]=4 475 B10R2.7 c1ccc2c(c1)cc[nH]2 A14427 [1,0,0,0,1,0|1,0,1]=4 476 B10R2.7 c1ccc2c(c1)cco2 A15225 [1,0,0,0,1,0|0,0,1]=3 477 B10R2.7 c1ccc2c(c1)ccs2 A12328 [1,0,0,0,1,0|0,1,1]=4 478 B10R2.7 c1ccc2c(c1)cn[nH]2 A11665 [1,0,0,0,1,0|2,0,0]=4 479 B10R2.7 c1ccc2c(c1)cno2 B23400 [1,0,0,0,1,0|1,0,1]=4 480 B10R2.7 c1ccc2c(c1)nco2 A17489 [1,0,0,0,1,0|1,0,0]=3 481 B10R2.7 c1ccc2c(c1)ncs2 A10380 [1,0,0,0,1,0|1,1,0]=4 482 B10R2.7 c1ccc2c(c1)sc[s+]2 H55403 [1,0,0,0,1,0|1,1,0]=4 483 B12R1.252 CC(=O)CSCc1ccccc1 L03814 [0,0,1,0,0,1|1,0,0]=3 484 B12R1.252 CC(=O)OCCc1ccccc1 B21238 [0,0,1,0,0,1|1,0,0]=3 485 B12R1.252 CC(CNCc1ccccc1)O H50329 [0,0,1,0,0,1|1,0,1]=4 486 B12R1.252 C[C@@H](COCc1ccccc1)O H60523 [0,0,1,0,0,1|1,0,1]=4 487 B12R1.252 c1ccc(cc1)CCCC(=O)Cl H50388 [0,0,1,0,0,1|1,0,0]=3 488 B12R1.252 c1ccc(cc1)CCCC(=O)O A18115 [0,0,1,0,0,1|0,0,0]=2 489 B12R1.252 c1ccc(cc1)CCNC(=S)N L10520 [0,0,1,0,0,1|1,1,0]=4 490 B12R1.252 c1ccc(cc1)CNCC(=O)O L15200 [0,0,1,0,0,1|0,0,0]=2 491 B12R1.252 c1ccc(cc1)CNCC(=O)O L15368 [0,0,1,0,0,1|0,0,0]=2 492 B12R1.252 c1ccc(cc1)COCC(=O)Cl L14337 [0,0,1,0,0,1|1,0,0]=3 493 B12R1.252 c1ccc(cc1)COCC(=O)O H54581 [0,0,1,0,0,1|0,0,0]=2 494 B12R1.252 c1ccc(cc1)CSCC(=O)O A18698 [0,0,1,0,0,1|0,0,0]=2 495 B12R1.252 c1ccc(cc1)OCCC(=O)O A17842 [0,0,1,0,0,1|0,0,0]=2