0 B13R2.328 O=C1CC(=O)C2=C(C=CC=C2)O1 OR1147 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 OR12643 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.328 O=C1NC2=C(C=CC=N2)C(=O)O1 OR321347 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.328 O=C1OP(Cl)OC2=C1C=CC=C2 OR3651T [0,0,0,0,0,0|2,0,0]=2 4 B13R2.328 OC1=CC(Br)=C2C=CC=CC2=C1 OR471062 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.328 OC1=CC(O)=C2C=CC=CC2=C1 OR55332 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.328 OC1=CC(O)=NC2=CC=CC=C12 OR2578 [0,0,0,0,0,0|3,0,1]=4 7 B12R2.24 OC1=CC2=C(C=CC=C2)C=N1 OR1224 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 OC1=NC2=CC=CC=C2C=C1 OR18280 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.1081 O=C1C=COC2=CC=CC=C12 OR22414 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.1081 O=C1CCCC2=CC=CC=C12 OR11043 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.1081 O=C1CCOC2=CC=CC=C12 OR22417 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.1081 O=C1NCCC2=CC=CC=C12 OR300090 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.1081 O=C1NN=CC2=CC=CC=C12 OR24078 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.1081 O=C1NN=NC2=CC=CC=C12 OR28692 [1,0,0,0,0,0|3,0,0]=4 15 B14R2.8045 CC1=C2NC(=O)OC(=O)C2=CC=C1 OR30520 [0,1,0,0,0,0|2,0,1]=4 16 B14R2.8045 O=C1NC2=C(Br)C=CC=C2C(=O)O1 OR400020 [0,1,0,0,0,0|2,0,1]=4 17 B14R2.8045 O=C1NC2=C(Cl)C=CC=C2C(=O)O1 OR400010 [0,1,0,0,0,0|2,0,1]=4 18 B14R2.8235 CC1=CC=C2OC(=O)CC(=O)C2=C1 OR13053 [0,1,0,0,0,0|2,0,1]=4 19 B14R2.8235 NC1=CC2=C(C=C1)NC(=O)OC2=O OR7052 [0,1,0,0,0,0|2,0,1]=4 20 B14R2.8235 O=C1CC(=O)C2=CC(Br)=CC=C2O1 OR13051 [0,1,0,0,0,0|2,0,1]=4 21 B14R2.8235 O=C1NC2=C(C=C(Br)C=C2)C(=O)O1 OR4597 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.8235 O=C1NC2=CC=C(Cl)C=C2C(=O)O1 OR30482 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.8235 O=C1NC2=CC=C(O)C=C2C(=O)O1 OR8420 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.28480 O=C1NC2=CC=CC(Br)=C2C(=O)O1 OR400005 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.28480 O=C1NC2=CC=CC(Cl)=C2C(=O)O1 OR400007 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.29365 CC1=CC=C2C(=O)CC(=O)OC2=C1 OR13054 [0,1,0,0,0,0|2,0,1]=4 27 B14R2.29365 CC1=CC=C2C(=O)OC(=O)NC2=C1 OR400018 [0,1,0,0,0,0|2,0,1]=4 28 B14R2.29365 O=C1NC2=CC(Br)=CC=C2C(=O)O1 OR400015 [0,1,0,0,0,0|2,0,1]=4 29 B14R2.29365 O=C1NC2=CC(Cl)=CC=C2C(=O)O1 OR400016 [0,1,0,0,0,0|2,0,1]=4 30 B14R2.29496 O=C1CS(=O)(=O)OC2=C1C=CC=C2 OR9453 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.75 CC(=O)OC1=CC=CC=C1C=O OR400800 [0,0,1,0,0,0|2,0,1]=4 32 B12R1.283 CCOC1=C(C(=O)Cl)C=CC=C1 OR5338 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.283 CCOC1=C(C(=O)O)C=CC=C1 OR19479 [0,0,1,0,0,0|2,0,0]=3 34 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 OR0052 [0,0,1,0,0,0|3,0,0]=4 35 B12R1.283 CCOC1=CC=CC=C1C(N)=O OR70170 [0,0,1,0,0,0|3,0,0]=4 36 B12R1.283 CCOC1=NC=CC=C1C(=O)O OR5067 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.283 N#CCC1=C(C(=O)O)C=CC=C1 OR6244 [0,0,1,0,0,0|3,0,0]=4 38 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 OR4535 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.308 CCOC(=O)C1=C(N)C=CC=C1 OR6026 [0,0,1,0,0,0|3,0,0]=4 40 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 OR51767 [0,0,1,0,0,0|3,0,0]=4 41 B12R1.308 CCOC(=O)C1=CC=CC=C1Br OR26844 [0,0,1,0,0,0|3,0,0]=4 42 B12R2.18 CC1CC2=C(C=CC=C2)C1=O OR0627 [0,0,0,0,1,0|3,0,0]=4 43 B12R2.18 O=C1C2=C(C=CC=C2)CC1Br OR23417 [0,0,0,0,1,0|3,0,0]=4 44 B12R2.18 O=C1NC2=CC=CC=C2C1=O OR53066 [0,0,0,0,1,0|2,0,1]=4 45 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 OR25011 [0,0,0,0,1,0|3,0,0]=4 46 B12R2.2028 O=C1CC(=O)C2=CC=CC=C12 OR4746 [0,0,0,0,1,0|2,0,1]=4 47 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 OR11737 [0,0,0,0,1,0|3,0,0]=4 48 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 OR26823 [0,0,0,0,1,0|2,0,1]=4 49 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 OR51756 [0,0,0,0,1,0|1,0,1]=3 50 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 OR54559 [0,0,0,0,1,0|2,0,1]=4 51 B11R1.16 O=C(\C=N\O)C1=CC=CC=C1 OR27095 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 OR10578 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 OR17875 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.53 CCC1=CC=CC=C1C(=O)O OR16146 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.53 COC1=C(C(=O)O)C=CC=C1 OR5344 [1,0,1,0,0,0|1,0,0]=3 56 B11R1.53 COC1=C(C(=O)O)C=CN=C1 OR313056 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.53 COC1=C(C(C)=O)C=CC=C1 OR5188 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.53 COC1=CC=CC=C1C(=O)Cl OR29824 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.53 COC1=CC=CN=C1C(=O)O OR16441 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.53 COC1=NC=CC=C1C(=O)O OR9042 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.53 CSC1=CC=CC=C1C(=O)O OR25479 [1,0,1,0,0,0|1,1,0]=4 62 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 OR40525 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 OR7759 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.53 O=C(O)C1=C(CCl)C=CC=C1 OR2330 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.53 O=C(O)C1=CC=CC=C1CBr OR16987 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.53 O=CC1=C(C(=O)O)C=CC=C1 OR5175 [1,0,1,0,0,0|1,0,1]=4 67 B11R1.53 O=[IH2]C1=C(C(=O)O)C=CC=C1 OR7133 [1,0,1,0,0,0|1,0,1]=4 68 B11R1.222 COC(=O)C1=C(C)C=CC=C1 OR5438 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 OR4068 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.222 COC(=O)C1=C(I)C=CC=C1 OR23611 [1,0,1,0,0,0|2,0,0]=4 71 B11R1.222 COC(=O)C1=C(O)C=NC=C1 OR51771 [1,0,1,0,0,0|2,0,0]=4 72 B11R1.222 COC(=O)C1=CC=CC=C1Br OR26843 [1,0,1,0,0,0|2,0,0]=4 73 B11R1.222 COC(=O)C1=CC=CN=C1O OR16841 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 OR46506 [1,0,1,0,0,0|2,0,0]=4 75 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 OR11268 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.222 O=C(NO)C1=CC=CC=C1O OR27156 [1,0,1,0,0,0|1,0,0]=3 77 B13R1.12 CCOC(=O)C1=CC=CC(O)=C1O OR25996 [0,1,1,0,0,0|2,0,0]=4 78 B13R1.446 CCOC(=O)C1=CC(Br)=CC=C1O OR303080 [0,1,1,0,0,0|2,0,0]=4 79 B13R1.674 COC=NC(=O)C1=CC=CC=C1O OR3253 [0,1,1,0,0,0|2,0,0]=4 80 B13R2.3028 O=C1C2=C(C=CC(Br)=C2)OC1Br OR19511 [0,1,0,0,1,0|2,0,0]=4 81 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O OR51753 [0,1,0,0,1,0|2,0,0]=4 82 B13R2.5190 O=C1C2=C(C=C(Br)C=C2)OC1Br OR19505 [0,1,0,0,1,0|2,0,0]=4 83 B13R2.2931 N#C[IH2]1OC(=O)C2=CC=CC=C21 OR7117 [0,1,0,0,1,0|2,0,0]=4 84 B13R2.4857 O=C1OC(=O)C2=C(Cl)C=CC=C12 OR54359 [0,1,0,0,1,0|1,0,1]=4 85 B13R2.5187 O=C1OC(=O)C2=CC(Br)=CC=C12 OR45117 [0,1,0,0,1,0|1,0,1]=4 86 B13R2.12159 O=C1OI(=O)(O)C2=CC=CC=C12 OR3108 [0,1,0,0,1,0|1,0,0]=3 87 B13R2.12159 O=C1OS(=O)(=O)C2=C1C=CC=C2 OR28884 [0,1,0,0,1,0|1,0,1]=4 88 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2O1 OR4303 [0,2,0,0,0,0|2,0,0]=4 89 B13R2.5569 O=C(O)C1=C2N=COC2=CC=C1 OR305031 [0,0,1,1,0,0|2,0,0]=4 90 B13R2.5569 O=C(O)C1=CC=CC2=C1OC=N2 OR110149 [0,0,1,1,0,0|2,0,0]=4 91 B13R2.5569 O=C(O)C1=CC=CC2=C1OCC2 OR101066 [0,0,1,1,0,0|2,0,0]=4 92 B13R2.5569 O=C(O)C1=CC=CC2=C1OCO2 OR3878 [0,0,1,1,0,0|1,0,0]=3 93 B11R1.36 C=C(B(O)O)C1=CC=CC=C1 OR4243 [0,0,1,0,1,0|2,0,0]=4 94 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 OR350055 [0,0,1,0,1,0|1,0,1]=4 95 B11R2.1 OB1OCC2=CC=CC=C12 OR10502 [1,0,0,0,1,0|1,0,1]=4 96 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 OR23096 [1,0,0,0,1,0|2,0,0]=4