0 B13R1.3 COC1=CC=C(C=CC(=O)O)C=C1 OR6574 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.3 COC1=CC=C(C=CC(C)=O)C=C1 OR26402 [0,0,0,0,0,0|1,0,1]=2 2 B13R1.3 CSC1=CC=C(\C=C\C(=O)O)C=C1 OR13167 [0,0,0,0,0,0|2,1,1]=4 3 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 OR28913 [1,0,0,0,0,0|1,0,0]=2 4 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 OR26023 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 OR3036 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.21 CC(=O)NNC1=CC=C(Br)C=C1 OR40620 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 OR4248 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 OR18348 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 OR9863 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 OR4789 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 OR3085 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 OR7880 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 OR6478 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 OR6534 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 OR46027 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 OR55198 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.71 COC1=CC=C(CCCO)C=C1 OR52471 [1,0,0,0,0,0|1,0,2]=4 18 B12R1.71 COC1=CC=C(CN=C=O)C=C1 OR2873 [1,0,0,0,0,0|1,0,1]=3 19 B14R1.2 COC1=CC=C(C(N)CC(=O)O)C=C1 OR13342 [0,1,0,0,0,0|2,0,0]=3 20 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 OR12737 [0,1,0,0,0,0|3,0,0]=4 21 B14R1.5 C#CC1=CC=C(CCC(=O)OC)C=C1 OR470870 [0,1,0,0,0,0|2,0,1]=4 22 B14R1.5 COC(=O)CCC1=CC=C(OC)C=C1 OR53092 [0,1,0,0,0,0|1,0,0]=2 23 B14R1.5 COC1=CC=C(CNC(=O)CCl)C=C1 OR14429 [0,1,0,0,0,0|1,0,0]=2 24 B14R1.142 CCOC1=CC=C(\C=C\C(=O)Cl)C=C1 OR200085 [0,1,0,0,0,0|2,0,1]=4 25 B14R1.419 CC(=O)NCC1=CC=C(B(O)O)C=C1 OR1333 [0,1,0,0,0,0|3,0,0]=4 26 B14R1.419 CC(=O)OCC1=CC=C(B(O)O)C=C1 OR9468 [0,1,0,0,0,0|2,0,0]=3 27 B14R1.419 O=C(Cl)OCC1=CC=C([N+](=O)[O-])C=C1 OR5386 [0,1,0,0,0,0|3,0,0]=4 28 B14R2.134 COC1=CC=C2CCC(=O)CC2=C1 OR9096 [0,0,0,1,0,0|1,0,0]=2 29 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 OR28813 [0,0,0,0,1,0|3,0,0]=4 30 B12R1.4 CC(=O)NC1=CC=C(CCl)C=C1 OR0010 [0,0,0,0,1,0|3,0,0]=4 31 B12R1.4 CC(=O)NC1=CC=C(CO)C=C1 OR1111 [0,0,0,0,1,0|3,0,0]=4 32 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 OR1313 [0,0,0,0,1,0|2,0,0]=3 33 B12R1.4 CC(=O)OC1=CC=C(CBr)C=C1 OR400140 [0,0,0,0,1,0|2,0,0]=3 34 B12R1.4 CC(=O)OC1=CC=C(CO)C=C1 OR51991 [0,0,0,0,1,0|2,0,0]=3 35 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 OR10950 [0,0,0,0,1,0|1,0,0]=2 36 B12R1.4 COC1=CC=C(NC(N)=S)C=C1 OR5150 [0,0,0,0,1,0|2,1,0]=4 37 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 OR0901 [0,0,0,0,1,0|3,0,0]=4 38 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 OR5112 [0,0,0,0,1,0|3,0,0]=4 39 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 OR2194 [0,0,0,0,0,1|2,0,0]=3 40 B11R1.1 C=CCCC1=CC=C(C)C=C1 OR01923 [2,0,0,0,0,0|1,0,1]=4 41 B11R1.1 CCCCC1=CC=C(O)C=C1 OR22100 [2,0,0,0,0,0|1,0,1]=4 42 B11R1.91 CC(=O)CSC1=CC=CC=C1 OR8634 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.91 NC(=O)OCC1=CC=CC=C1 OR40596 [2,0,0,0,0,0|1,0,0]=3 44 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 OR28743 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.91 O=C(O)CCC1=CC=CC=C1 OR10046 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.83 CNCC1=CC=C(OC)C=C1 OR13981 [2,0,0,0,0,0|1,0,0]=3 47 B11R1.83 CNCC1=CC=C(OC)C=C1 OR1574 [2,0,0,0,0,0|1,0,0]=3 48 B11R1.83 COC1=CC=C(CC#N)C=C1 OR10900 [2,0,0,0,0,0|1,0,1]=4 49 B11R1.83 COC1=CC=C(CCO)C=C1 OR30550 [2,0,0,0,0,0|0,0,2]=4 50 B11R1.83 COC1=CC=C(CNN)C=C1 OR55375 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.83 COC1=CC=C(CNN)C=C1 OR55590 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.83 COC1=CC=C(CON)C=C1 OR52352 [2,0,0,0,0,0|1,0,0]=3 53 B13R1.14 COC(=O)C=CC1=CC=C(O)C=C1 OR14414 [1,1,0,0,0,0|1,0,1]=4 54 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 OR110036 [1,1,0,0,0,0|2,0,0]=4 55 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 OR14704 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 OR14703 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.511 NC1=C(O)C=CC(CCC(=O)O)=C1 OR21175 [1,1,0,0,0,0|2,0,0]=4 58 B13R1.4 COC1=CC=C(OS(C)(=O)=O)C=C1 OR11951 [0,1,0,0,1,0|1,0,0]=3 59 B13R1.35 COC1=C(Br)C=C(CC(=O)O)C=C1 OR3045 [0,1,0,0,1,0|1,0,0]=3 60 B13R1.142 CCCC1=CC=C(CC(=O)O)C=C1 OR2009 [0,1,0,0,1,0|2,0,0]=4 61 B13R1.142 CCOC1=CC=C(NC(C)=O)C=C1 OR52640 [0,1,0,0,1,0|1,0,0]=3 62 B13R1.142 CCOC1=CC=C(NC(N)=O)C=C1 OR22579 [0,1,0,0,1,0|2,0,0]=4 63 B13R1.142 COCC1=CC=C(CC(=O)O)C=C1 OR19480 [0,1,0,0,1,0|1,0,0]=3 64 B13R1.585 CC(=O)NC1=CC=C(C(C)=O)C=C1 OR4673 [0,1,0,0,1,0|2,0,0]=4 65 B13R1.585 CC(=O)OC1=CC=C(B(O)O)C=C1 OR5971 [0,1,0,0,1,0|2,0,0]=4 66 B13R1.585 CC(=O)OC1=CC=C(C(=O)O)C=C1 OR7979 [0,1,0,0,1,0|2,0,0]=4 67 B13R1.585 CC(C)C1=CC=C(CC(=O)O)C=C1 OR59979 [0,1,0,0,1,0|2,0,0]=4 68 B13R1.653 COC1=CC(N)=C(NC(C)=O)C=C1 OR21097 [0,1,0,0,1,0|1,0,0]=3 69 B15R1.206 COC1=CC=C(COC[C@@H](C)CO)C=C1 OR310541 [0,1,0,0,0,1|0,0,2]=4 70 B15R1.6 COC1=CC=C(C(O)C(N)C(=O)O)C=C1 OR13802 [0,2,0,0,0,0|2,0,0]=4 71 B15R1.15 CCOC1=CC=C(C(N)CC(=O)O)C=C1 OR13348 [0,2,0,0,0,0|2,0,0]=4 72 B15R1.793 CCOC(=O)CCC1=CC=C(OC)C=C1 OR53089 [0,2,0,0,0,0|1,0,0]=3 73 B15R1.793 COC1=CC=C(CNC(=O)CC#N)C=C1 OR14103 [0,2,0,0,0,0|1,0,0]=3 74 B15R1.499 CC(=O)CCC1=CC=C(OC(C)=O)C=C1 OR6001 [0,2,0,0,0,0|1,0,0]=3 75 B15R1.12854 COC1=C(OC)C=C(CCC(=O)O)C=C1 OR18337 [0,2,0,0,0,0|2,0,0]=4 76 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 OR7045 [1,0,0,1,0,0|2,0,0]=4 77 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)C1 OR7047 [1,0,0,1,0,0|2,0,0]=4 78 B13R2.155 O=C1CCC2=CC=C(Cl)C=C2C1 OR12937 [1,0,0,1,0,0|2,0,0]=4 79 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 OR59478 [1,0,0,1,0,0|2,0,0]=4 80 B13R2.57 COC1=CC2=C(C=C1)CCCC2 OR54469 [1,0,0,1,0,0|1,0,1]=4 81 B13R2.57 COC1=CC2=C(C=C1)CNCC2 OR301147 [1,0,0,1,0,0|1,0,1]=4 82 B13R2.57 COC1=CC2=C(C=C1)CNCC2 OR310932 [1,0,0,1,0,0|1,0,1]=4 83 B13R2.669 COC1=CC2=C(C=C1)CNC2=O OR305281 [1,0,0,1,0,0|1,0,0]=3 84 B13R2.2121 COC1=CC2=C(C=C1)CC(=O)N2 OR301018 [0,0,0,1,1,0|1,0,0]=3 85 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)C2 OR301024 [0,0,0,1,1,0|1,0,0]=3 86 B13R2.2121 COC1=CC=C2NC(=O)OC2=C1 OR54553 [0,0,0,1,1,0|2,0,0]=4 87 B13R2.2121 COC1=CC=C2NC(C)=CC2=C1 OR46076 [0,0,0,1,1,0|2,0,0]=4 88 B13R2.2121 COC1=CC=C2NC(C)=NC2=C1 OR11211 [0,0,0,1,1,0|2,0,0]=4 89 B15R2.89396 COC1=CC=C2C(=O)OC(=O)NC2=C1 OR400017 [0,1,0,1,0,0|1,0,1]=4 90 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 OR7838 [0,1,0,1,0,0|2,0,0]=4 91 B15R2.1824 COC1=CC2=C(C=C1Br)CCC(=O)N2 OR303241 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 OR7000T [1,0,0,0,1,0|1,0,1]=4 93 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 OR4282 [1,0,0,0,1,0|2,0,0]=4 94 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 OR4345 [1,0,0,0,1,0|2,0,0]=4 95 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 OR2193 [1,0,0,0,1,0|2,0,0]=4 96 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 OR28660 [1,0,0,0,1,0|2,0,0]=4 97 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 OR3962 [1,0,0,0,1,0|1,0,0]=3 98 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 OR0782 [1,0,0,0,1,0|1,1,0]=4 99 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 OR10836 [1,0,0,0,1,0|1,0,0]=3 100 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 OR4365 [1,0,0,0,1,0|1,0,0]=3 101 B11R1.20 CC1=CC=C(OC(=O)Cl)C=C1 OR1994 [1,0,0,0,1,0|1,0,0]=3 102 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 OR28890 [1,0,0,0,1,0|1,0,0]=3 103 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 OR10955 [1,0,0,0,1,0|2,0,0]=4 104 B11R1.20 O=C(Cl)OC1=CC=C(Br)C=C1 OR18595 [1,0,0,0,1,0|2,0,0]=4 105 B11R1.20 O=C(Cl)OC1=CC=C(Cl)C=C1 OR13039 [1,0,0,0,1,0|2,0,0]=4 106 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 OR30163 [1,0,0,0,1,0|2,0,0]=4 107 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 OR5937 [1,0,0,0,1,0|2,0,0]=4 108 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 OR5988 [1,0,0,0,1,0|1,0,0]=3 109 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 OR51810 [0,0,0,0,2,0|1,0,1]=4 110 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 OR2606 [0,0,0,0,2,0|1,0,0]=3 111 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 OR30102 [0,0,0,0,2,0|2,0,0]=4 112 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 OR18571 [0,0,0,0,2,0|2,0,0]=4 113 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 OR22097 [0,0,0,0,2,0|2,0,0]=4 114 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 OR21929 [0,0,0,0,2,0|2,0,0]=4 115 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 OR30518 [0,0,0,0,2,0|2,0,0]=4 116 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 OR315757 [0,0,0,0,2,0|1,0,0]=3 117 B11R1.3 COC1=CC=C(C(=O)O)C=C1 OR10957 [0,0,0,0,2,0|1,0,0]=3 118 B11R1.3 COC1=CC=C(C(C)=O)C=C1 OR11063 [0,0,0,0,2,0|0,0,0]=2 119 B11R1.3 COC1=CC=C(C(C)C)C=C1 OR6453 [0,0,0,0,2,0|1,0,1]=4 120 B11R1.3 COC1=CC=C(C(C)O)C=C1 OR70187 [0,0,0,0,2,0|0,0,2]=4 121 B11R1.3 COC1=CC=C(C(N)=O)C=C1 OR25451 [0,0,0,0,2,0|1,0,0]=3 122 B11R1.3 COC1=CC=C(C(N)=S)C=C1 OR25887 [0,0,0,0,2,0|1,1,0]=4 123 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 OR40632 [0,0,0,0,2,0|1,0,1]=4 124 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 OR40631 [0,0,0,0,2,0|1,0,1]=4 125 B11R1.3 COC1=CC=C([N+](=O)[O-])C=C1 OR6596 [0,0,0,0,2,0|2,0,0]=4 126 B11R1.3 COC1=NC=C(C(=O)O)C=C1 OR1913 [0,0,0,0,2,0|2,0,0]=4 127 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 OR3455 [0,0,0,0,2,0|0,1,0]=3