0 B17R2.44983 CC(=O)C1=CC2=CC=C(C=C2C=C1)C(=O)O MCULE-8351847221 [0,0,0,0,0,0|1,0,0]=1 1 B17R2.44983 CC(=O)C1=CC=C2C=C(C=CC2=C1)N(C)C MCULE-3386509608 [0,0,0,0,0,0|4,0,0]=4 2 B17R2.44983 CC(=O)C1=CC=C2C=C(C=NC2=C1)C(=O)O MCULE-5112564906 [0,0,0,0,0,0|2,0,0]=2 3 B17R2.44983 CC(C)C1=CC=C2C=C(C=NC2=C1)C(=O)O MCULE-3052725212 [0,0,0,0,0,0|3,0,1]=4 4 B17R2.44983 CN(C)C1=CC2=C(C=C1)C=C(C=C2)C(=O)O MCULE-7341405422 [0,0,0,0,0,0|3,0,0]=3 5 B17R2.44983 NC(=O)C1=CC=C2C=C(C=NC2=C1)C(=O)O MCULE-9137937005 [0,0,0,0,0,0|2,0,0]=2 6 B17R2.44983 O=C(Cl)C1=CC=C2C=C(C=CC2=C1)C(=O)Cl MCULE-1713110907 [0,0,0,0,0,0|2,0,0]=2 7 B17R2.44983 O=C(O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)O MCULE-6645466243 [0,0,0,0,0,0|0,0,0]=0 8 B17R2.44983 O=C(O)C1=CC2=CC=C(C=C2C=C1)B(O)O MCULE-1668354718 [0,0,0,0,0,0|1,0,1]=2 9 B17R2.44983 O=C(O)C1=CC=C2C=C(C=NC2=C1)C(=O)O MCULE-5082657059 [0,0,0,0,0,0|1,0,0]=1 10 B17R2.44983 O=C(O)C1=NC2=CC=C(C=C2C=C1)N(=O)=O MCULE-7150733058 [0,0,0,0,0,0|2,0,1]=3 11 B17R2.44983 O=C(O)C1=NC2=CC=C(C=C2N=C1)N(=O)=O MCULE-6572073980 [0,0,0,0,0,0|3,0,1]=4 12 B17R2.44983 O=C([O-])C1=CC2=C(C=C1)C=C(C=C2)C(=O)[O-] MCULE-6751662887 [0,0,0,0,0,0|0,0,2]=2 13 B17R2.44983 O=N(=O)C1=CC=C2C=C(C=CC2=C1)N(=O)=O MCULE-5020115578 [0,0,0,0,0,0|2,0,2]=4 14 B17R2.44983 OB(O)C1=CC=C2C=C(C=CC2=C1)B(O)O MCULE-7375001083 [0,0,0,0,0,0|2,0,2]=4 15 B16R2.7486 CCC1=CC=C2C=C(C=NC2=C1)C(=O)O MCULE-3837535142 [1,0,0,0,0,0|2,0,1]=4 16 B16R2.7486 CN(C)C1=CC=C2C=C(C=CC2=C1)C=O MCULE-8990576567 [1,0,0,0,0,0|3,0,0]=4 17 B16R2.7486 COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C MCULE-3825691348 [1,0,0,0,0,0|3,0,0]=4 18 B16R2.7486 COC1=CC2=C(C=C1)C=C(C=N2)C(=O)O MCULE-7967584007 [1,0,0,0,0,0|3,0,0]=4 19 B16R2.7486 COC1=CC2=C(C=C1)C=C(N=C2)C(=O)O MCULE-7937411947 [1,0,0,0,0,0|3,0,0]=4 20 B16R2.7486 COC1=CC2=C(C=C1)N=C(C=C2)C(=O)O MCULE-1464661888 [1,0,0,0,0,0|3,0,0]=4 21 B16R2.7486 COC1=CC2=C(C=N1)C=C(C=C2)C(=O)O MCULE-6731753262 [1,0,0,0,0,0|3,0,0]=4 22 B16R2.7486 COC1=CC2=CC=C(C=C2N=C1)C(=O)O MCULE-3979754960 [1,0,0,0,0,0|3,0,0]=4 23 B16R2.7486 COC1=CC=C2C=C(C=CC2=C1)C(=O)Cl MCULE-8522115712 [1,0,0,0,0,0|3,0,0]=4 24 B16R2.7486 COC1=CC=C2C=C(C=CC2=C1)C(=O)N MCULE-8623249846 [1,0,0,0,0,0|3,0,0]=4 25 B16R2.7486 COC1=CC=C2C=C(C=CC2=C1)C(=O)O MCULE-6293106254 [1,0,0,0,0,0|2,0,0]=3 26 B16R2.7486 COC1=CC=C2C=C(C=NC2=C1)C(=O)O MCULE-4845793827 [1,0,0,0,0,0|3,0,0]=4 27 B16R2.7486 COC1=NC2=CC=C(C=C2C=C1)C(=O)O MCULE-3160439110 [1,0,0,0,0,0|3,0,0]=4 28 B16R2.7486 N#CC1=CC2=C(C=C1)C=C(C=C2)C(=O)O MCULE-1018404695 [1,0,0,0,0,0|1,0,1]=3 29 B16R2.7486 O=CC1=CC2=C(C=C1)C=C(C=C2)C(=O)O MCULE-7219501722 [1,0,0,0,0,0|0,0,0]=1 30 B16R2.7486 O=CC1=NC2=CC=C(C=C2C=C1)C(=O)O MCULE-6213938535 [1,0,0,0,0,0|1,0,0]=2 31 B16R2.7486 O=CC1=NC2=CC=C(C=C2C=C1)N(=O)=O MCULE-8833287227 [1,0,0,0,0,0|2,0,1]=4 32 B16R2.7486 OCC1=CC2=CC=C(C=C2C=C1)B(O)O MCULE-5314265137 [1,0,0,0,0,0|1,0,2]=4 33 B18R2.6095 CC(=O)C1=CC2=C(C=C1)C=C(C(=O)N2)C(=O)O MCULE-8281483177 [0,1,0,0,0,0|2,0,0]=3 34 B18R2.6095 O=C(O)C1=CC2=C(C=C(C=C2)N(=O)=O)OC1=O MCULE-1766555780 [0,1,0,0,0,0|2,0,1]=4 35 B18R2.12005 CC(=O)C1=CC=C2C(=C1)N=CC(=C2O)C(=O)O MCULE-1340085626 [0,1,0,0,0,0|2,0,0]=3 36 B18R2.12005 O=C(O)C1=C(C2=CC=C(C=C2N=C1)N(=O)=O)O MCULE-5048774030 [0,1,0,0,0,0|2,0,1]=4 37 B18R2.12005 O=C(O)C1=CC=C2C(=C1)N=CC(=C2O)C(=O)O MCULE-8121653401 [0,1,0,0,0,0|1,0,0]=2 38 B18R2.71743 CS(=O)(=O)C1=CC=C2C=C(C=NC2=C1)C(=O)O MCULE-1059066443 [0,1,0,0,0,0|2,0,1]=4 39 B18R2.71743 O=C(O)C1=CC2=CC=C(C=C2C=C1)C(F)(F)F MCULE-9876527400 [0,1,0,0,0,0|2,0,1]=4 40 B18R2.96128 COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)O MCULE-9306949535 [0,1,0,0,0,0|0,0,0]=1 41 B18R2.96128 COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)[O-] MCULE-6560321334 [0,1,0,0,0,0|0,0,1]=2 42 B18R2.96128 COC(=O)C1=CC2=C(C=C1)C=C(C=C2)N(C)C MCULE-3023209929 [0,1,0,0,0,0|3,0,0]=4 43 B18R2.96128 COC(=O)C1=CC2=CC=C(C=C2C=C1)B(O)O MCULE-5572135812 [0,1,0,0,0,0|1,0,1]=3 44 B18R2.96128 COC(=O)C1=CC2=CC=C(C=C2N=C1)C(=O)C MCULE-3776919373 [0,1,0,0,0,0|2,0,0]=3 45 B18R2.96128 COC(=O)C1=CC=C2C=C(C=CC2=C1)C(=O)N MCULE-7363781683 [0,1,0,0,0,0|1,0,0]=2 46 B18R2.96128 COC(=O)C1=NC2=CC=C(C=C2C=C1)N(=O)=O MCULE-9132110684 [0,1,0,0,0,0|2,0,1]=4 47 B18R2.513977 CC(=O)C1=CC2=C(C=C1)OC(=CC2=O)C(=O)O MCULE-6887841637 [0,1,0,0,0,0|2,0,0]=3 48 B18R2.513977 NC1=C2C=C(C=CC2=CC(=C1)C(=O)O)C(=O)O MCULE-2512605745 [0,1,0,0,0,0|0,0,0]=1 49 B18R2.513977 O=C(O)C1=CC(=O)C2=CC(=CC=C2N1)N(=O)=O MCULE-9969910718 [0,1,0,0,0,0|2,0,1]=4 50 B16R1.758 N#CC(=CC1=CC=C(C=C1)C(=O)O)C(=O)O MCULE-9532946867 [0,0,1,0,0,0|1,0,1]=3 51 B16R2.502 CC(=O)C1=CNC2=C1C=CC(=N2)C(=O)O MCULE-6188515606 [0,0,0,0,1,0|3,0,0]=4 52 B16R2.502 CC(=O)C1=CNC2=CC(=CC=C12)C(=O)O MCULE-6679357593 [0,0,0,0,1,0|2,0,0]=3 53 B16R2.502 O=C(O)C1=CC2=C(C=C1)C(=CN2)C(=O)O MCULE-5361653424 [0,0,0,0,1,0|1,0,0]=2 54 B16R2.502 O=C(O)C1=CC2=C(C=C1)C(=NN2)C(=O)O MCULE-9749095421 [0,0,0,0,1,0|2,0,0]=3 55 B16R2.502 O=C(O)C1=CN=C2C(=C1)NC=C2C(=O)O MCULE-8031147002 [0,0,0,0,1,0|2,0,0]=3 56 B16R2.502 O=C(O)C1=CNC2=C1C=CC(=C2)N(=O)=O MCULE-2935111680 [0,0,0,0,1,0|2,0,1]=4 57 B16R2.27395 CC(=O)C1=CC2=C(C=C1)C=C(N2)C(=O)O MCULE-9975000886 [0,0,0,0,1,0|2,0,0]=3 58 B16R2.27395 CC(=O)C1=CC=C2NC(=CC2=C1)C(=O)O MCULE-2762767829 [0,0,0,0,1,0|2,0,0]=3 59 B16R2.27395 NC(=O)C1=CC2=C(C=C1)NC(=C2)C(=O)O MCULE-4613928200 [0,0,0,0,1,0|2,0,0]=3 60 B16R2.27395 O=C(O)C1=CC2=C(C=C1)NC(=C2)C(=O)O MCULE-5766205274 [0,0,0,0,1,0|1,0,0]=2 61 B16R2.27395 O=C(O)C1=CC2=C(N1)C=CC(=C2)N(=O)=O MCULE-8582879831 [0,0,0,0,1,0|2,0,1]=4 62 B16R2.27395 O=C(O)C1=CC2=C(N=C1)NC(=C2)C(=O)O MCULE-2482518657 [0,0,0,0,1,0|2,0,0]=3 63 B16R2.27395 O=C(O)C1=CC2=C(O1)C=C(C=C2)N(=O)=O MCULE-1663273678 [0,0,0,0,1,0|2,0,1]=4 64 B16R2.27395 O=C(O)C1=CC2=C(O1)C=CC(=C2)N(=O)=O MCULE-7925519885 [0,0,0,0,1,0|2,0,1]=4 65 B16R2.27395 O=C(O)C1=CC2=C(S1)C=C(C=C2)N(=O)=O MCULE-3163041959 [0,0,0,0,1,0|2,0,1]=4 66 B16R2.27395 O=C(O)C1=CC2=CC(=CC=C2S1)N(=O)=O MCULE-4443659394 [0,0,0,0,1,0|2,0,1]=4 67 B16R2.27395 O=C(O)C1=CC2=CC(=NC=C2N1)C(=O)O MCULE-4833621117 [0,0,0,0,1,0|2,0,0]=3 68 B16R2.27395 O=C(O)C1=CC2=CC=C(C=C2N1)N(=O)=O MCULE-6360877534 [0,0,0,0,1,0|2,0,1]=4 69 B16R2.27395 O=C(O)C1=CC=C2C=C(NC2=C1)C(=O)O MCULE-2967692631 [0,0,0,0,1,0|1,0,0]=2 70 B18R2.100877 CC(=O)NC1=CC2=CC=C(C=C2C=C1)N(=O)=O MCULE-3992160479 [0,0,0,0,0,1|2,0,1]=4 71 B18R2.100877 CC(=O)OC1=CC2=CC=C(C=C2C=C1)C(=O)O MCULE-4805269713 [0,0,0,0,0,1|1,0,0]=2 72 B18R2.100877 CC(C)OC1=CC2=CC=C(C=C2C=C1)C(=O)O MCULE-3209160437 [0,0,0,0,0,1|2,0,1]=4 73 B18R2.100877 O=C(O)C1=CC=C2C=C(C=CC2=C1)OC(F)F MCULE-4857618687 [0,0,0,0,0,1|2,0,1]=4 74 B15R2.4780 CNC1=CC2=C(C=C1)C=C(C=C2)C=O MCULE-3743157867 [2,0,0,0,0,0|2,0,0]=4 75 B15R2.4780 COC1=CC2=C(C=C1)C=C(C=C2)C=O MCULE-9016032064 [2,0,0,0,0,0|2,0,0]=4 76 B15R2.4780 O=CC1=CC=C2C=C(C=CC2=C1)C=O MCULE-7155003829 [2,0,0,0,0,0|0,0,0]=2 77 B15R2.4780 OCC1=CC=C2C=C(C=CC2=C1)CO MCULE-7966294615 [2,0,0,0,0,0|0,0,2]=4 78 B15R2.7180 CC(=O)C1=CC2=C(C=C1)C=C(C=C2)N MCULE-8693868590 [2,0,0,0,0,0|2,0,0]=4 79 B15R2.7180 CC(=O)C1=CC2=C(C=C1)C=C(C=C2)O MCULE-6346820029 [2,0,0,0,0,0|1,0,0]=3 80 B15R2.7180 CC(=O)C1=CC=C2C=C(C=CC2=C1)Br MCULE-9862036769 [2,0,0,0,0,0|2,0,0]=4 81 B15R2.7180 CC(=O)C1=CC=C2C=C(C=CC2=C1)C MCULE-6231458989 [2,0,0,0,0,0|1,0,1]=4 82 B15R2.7180 CC(=O)C1=CC=C2C=C(C=CC2=C1)F MCULE-4479327383 [2,0,0,0,0,0|2,0,0]=4 83 B15R2.7180 CC(=O)C1=CC=C2C=C(C=NC2=C1)O MCULE-3094257510 [2,0,0,0,0,0|2,0,0]=4 84 B15R2.7180 CC1=CC2=C(C=C1)N=C(C=C2)C(=O)O MCULE-6106502792 [2,0,0,0,0,0|1,0,1]=4 85 B15R2.7180 CC1=CC2=C(C=N1)C=C(C=C2)C(=O)O MCULE-8185003981 [2,0,0,0,0,0|1,0,1]=4 86 B15R2.7180 CC1=CC2=CC=C(C=C2N=C1)C(=O)O MCULE-3028467069 [2,0,0,0,0,0|1,0,1]=4 87 B15R2.7180 CC1=CC2=CC=C(C=C2N=C1)C(=O)O MCULE-5813472407 [2,0,0,0,0,0|1,0,1]=4 88 B15R2.7180 CC1=CC=C2C=C(C=CC2=C1)C(=O)O MCULE-2213595582 [2,0,0,0,0,0|0,0,1]=3 89 B15R2.7180 CC1=CC=C2C=C(C=CC2=N1)C(=O)O MCULE-9491147594 [2,0,0,0,0,0|1,0,1]=4 90 B15R2.7180 CC1=CC=C2C=C(C=NC2=C1)C(=O)O MCULE-1612904622 [2,0,0,0,0,0|1,0,1]=4 91 B15R2.7180 N=C(N)C1=CC2=C(C=C1)C=C(C=C2)O MCULE-6962321651 [2,0,0,0,0,0|2,0,0]=4 92 B15R2.7180 N=C(N)C1=CC2=C(C=C1)C=C(C=C2)O MCULE-7275812817 [2,0,0,0,0,0|2,0,0]=4 93 B15R2.7180 N=C(N)C1=CC2=CC=C(C=C2C=C1)O MCULE-5361224165 [2,0,0,0,0,0|2,0,0]=4 94 B15R2.7180 N=C(N)C1=CC2=CC=C(C=C2C=C1)O MCULE-7011745865 [2,0,0,0,0,0|2,0,0]=4 95 B15R2.7180 NC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br MCULE-5894428799 [2,0,0,0,0,0|2,0,0]=4 96 B15R2.7180 NC(=O)C1=CC2=CC=C(C=C2C=C1)F MCULE-5074564432 [2,0,0,0,0,0|2,0,0]=4 97 B15R2.7180 NC(=O)C1=CC2=CC=C(C=C2C=C1)O MCULE-3087855647 [2,0,0,0,0,0|1,0,0]=3 98 B15R2.7180 NC1=CC2=C(C=N1)C=C(C=C2)C(=O)O MCULE-5539158837 [2,0,0,0,0,0|2,0,0]=4 99 B15R2.7180 NC1=CC2=CC=C(C=C2N=C1)C(=O)O MCULE-2704620883 [2,0,0,0,0,0|2,0,0]=4 100 B15R2.7180 NC1=CC=C2C=C(C=CC2=C1)C(=O)O MCULE-1241836031 [2,0,0,0,0,0|1,0,0]=3 101 B15R2.7180 NC1=CC=C2C=C(C=NC2=C1)C(=O)O MCULE-5700524397 [2,0,0,0,0,0|2,0,0]=4 102 B15R2.7180 NC1=CC=C2N=C(C=CC2=C1)C(=O)O MCULE-6541081654 [2,0,0,0,0,0|2,0,0]=4 103 B15R2.7180 NC1=NC2=CC=C(C=C2C=C1)C(=O)O MCULE-7901348884 [2,0,0,0,0,0|2,0,0]=4 104 B15R2.7180 O=C(Cl)C1=CC2=C(C=C1)C=C(C=C2)Br MCULE-3163925100 [2,0,0,0,0,0|2,0,0]=4 105 B15R2.7180 O=C(Cl)C1=CC2=CC=C(C=C2C=C1)O MCULE-8395266830 [2,0,0,0,0,0|1,0,0]=3 106 B15R2.7180 O=C(O)C1=CC2=C(C=C(C=C2)Br)N=C1 MCULE-4944061994 [2,0,0,0,0,0|2,0,0]=4 107 B15R2.7180 O=C(O)C1=CC2=C(C=C(C=C2)O)CC1 MCULE-8693038698 [2,0,0,0,0,0|0,0,2]=4 108 B15R2.7180 O=C(O)C1=CC2=C(C=C(C=C2)O)N=C1 MCULE-1400918653 [2,0,0,0,0,0|1,0,0]=3 109 B15R2.7180 O=C(O)C1=CC2=C(C=C1)C=C(C=C2)Br MCULE-3526696401 [2,0,0,0,0,0|1,0,0]=3 110 B15R2.7180 O=C(O)C1=CC2=C(C=C1)C=C(C=C2)O MCULE-4871945782 [2,0,0,0,0,0|0,0,0]=2 111 B15R2.7180 O=C(O)C1=CC2=C(C=C1)N=C(C=C2)Cl MCULE-5819137684 [2,0,0,0,0,0|2,0,0]=4 112 B15R2.7180 O=C(O)C1=CC2=C(C=N1)C=C(C=C2)Cl MCULE-6894421863 [2,0,0,0,0,0|2,0,0]=4 113 B15R2.7180 O=C(O)C1=CC2=C(C=N1)C=C(C=C2)Cl MCULE-8144797616 [2,0,0,0,0,0|2,0,0]=4 114 B15R2.7180 O=C(O)C1=CC2=C(C=N1)C=C(C=C2)F MCULE-2137373883 [2,0,0,0,0,0|2,0,0]=4 115 B15R2.7180 O=C(O)C1=CC2=C(C=N1)C=C(C=C2)F MCULE-6327859348 [2,0,0,0,0,0|2,0,0]=4 116 B15R2.7180 O=C(O)C1=CC2=C(N=C1)N=C(C=C2)O MCULE-1624184627 [2,0,0,0,0,0|2,0,0]=4 117 B15R2.7180 O=C(O)C1=CC2=CC=C(C=C2C=C1)F MCULE-8078723892 [2,0,0,0,0,0|1,0,0]=3 118 B15R2.7180 O=C(O)C1=CC2=CC=C(C=C2N=C1)Cl MCULE-1065166132 [2,0,0,0,0,0|2,0,0]=4 119 B15R2.7180 O=C(O)C1=CC2=CC=C(C=C2N=C1)F MCULE-3536584846 [2,0,0,0,0,0|2,0,0]=4 120 B15R2.7180 O=C(O)C1=CC2=CC=C(C=C2N=C1)O MCULE-8472040934 [2,0,0,0,0,0|1,0,0]=3 121 B15R2.7180 O=C(O)C1=CC2=NC=C(C=C2N=C1)O MCULE-2421276302 [2,0,0,0,0,0|2,0,0]=4 122 B15R2.7180 O=C(O)C1=CC=C2C=C(C=CC2=C1)Cl MCULE-2732488863 [2,0,0,0,0,0|1,0,0]=3 123 B15R2.7180 O=C(O)C1=CC=C2C=C(C=NC2=C1)Br MCULE-3267264316 [2,0,0,0,0,0|2,0,0]=4 124 B15R2.7180 O=C(O)C1=CC=C2C=C(C=NC2=C1)Cl MCULE-4604804557 [2,0,0,0,0,0|2,0,0]=4 125 B15R2.7180 O=C(O)C1=CC=C2C=C(C=NC2=C1)F MCULE-6374217270 [2,0,0,0,0,0|2,0,0]=4 126 B15R2.7180 O=C(O)C1=CC=C2C=C(C=NC2=C1)O MCULE-7236235151 [2,0,0,0,0,0|1,0,0]=3 127 B15R2.7180 O=C(O)C1=CC=C2C=C(N=CC2=C1)Cl MCULE-3241248629 [2,0,0,0,0,0|2,0,0]=4 128 B15R2.7180 O=C(O)C1=CC=C2N=C(C=CC2=C1)Br MCULE-7666684184 [2,0,0,0,0,0|2,0,0]=4 129 B15R2.7180 O=C(O)C1=CC=C2N=C(C=CC2=C1)O MCULE-5143290828 [2,0,0,0,0,0|1,0,0]=3 130 B15R2.7180 O=C(O)C1=NC2=C(C=C1)C=C(C=C2)I MCULE-5075601342 [2,0,0,0,0,0|2,0,0]=4 131 B15R2.7180 O=C(O)C1=NC2=C(C=C1)C=C(C=C2)O MCULE-5262349085 [2,0,0,0,0,0|1,0,0]=3 132 B15R2.7180 O=C(O)C1=NC2=CC=C(C=C2C=C1)Br MCULE-1982965509 [2,0,0,0,0,0|2,0,0]=4 133 B15R2.7180 O=C(O)C1=NC2=CC=C(C=C2C=C1)Cl MCULE-3650796083 [2,0,0,0,0,0|2,0,0]=4 134 B15R2.7180 O=C(O)C1=NC2=CC=C(C=C2C=C1)F MCULE-6774412305 [2,0,0,0,0,0|2,0,0]=4 135 B15R2.7180 O=C(O)C1=NC=C2C=C(C=CC2=C1)Br MCULE-7874944394 [2,0,0,0,0,0|2,0,0]=4 136 B15R2.7180 O=C1C=CC2=C(O1)C=CC(=C2)C(=O)O MCULE-1744007033 [2,0,0,0,0,0|1,0,0]=3 137 B15R2.7180 O=C1C=NC2=CC(=CC=C2N1)C(=O)O MCULE-1189530142 [2,0,0,0,0,0|2,0,0]=4 138 B15R2.7180 OB(O)C1=CC=C2C=C(C=CC2=C1)O MCULE-4168813192 [2,0,0,0,0,0|1,0,1]=4 139 B15R2.7180 [NH3+]C1=CC2=C(C=C1)N=C(C=C2)C(=O)O MCULE-9925736949 [2,0,0,0,0,0|2,0,0]=4 140 B17R1.16292 CC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)C MCULE-1997433293 [0,1,1,0,0,0|1,0,1]=4 141 B17R1.24175 COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)O MCULE-1214054151 [0,1,1,0,0,0|1,0,1]=4 142 B17R2.11734 C#CC1=CC=C2C=C(C=CC2=C1)C(=O)OC MCULE-8066019510 [1,1,0,0,0,0|1,0,1]=4 143 B17R2.11734 C=CC1=CC=C2C=C(C=CC2=C1)C(=O)OC MCULE-2531844283 [1,1,0,0,0,0|1,0,0]=3 144 B17R2.11734 COC(=O)C1=CC2=CC=C(C=C2C=C1)C=O MCULE-7443500249 [1,1,0,0,0,0|0,0,0]=2 145 B17R2.11734 COC(=O)C1=CC2=CC=C(C=C2C=C1)OC MCULE-2479860066 [1,1,0,0,0,0|2,0,0]=4 146 B17R2.11734 COC(=O)C1=CC=C2C=C(C=CC2=C1)C#N MCULE-8635313125 [1,1,0,0,0,0|1,0,1]=4 147 B17R2.11734 COC(=O)C1=CC=C2C=C(C=CC2=C1)CBr MCULE-9775205624 [1,1,0,0,0,0|1,0,1]=4 148 B17R2.11734 COC(=O)C1=CC=C2C=C(C=CC2=C1)CO MCULE-3227291531 [1,1,0,0,0,0|0,0,1]=3 149 B17R2.11734 COC1=CC2=CC=C(C=C2C=C1)C(=O)CO MCULE-5023842065 [1,1,0,0,0,0|2,0,0]=4 150 B17R2.46634 CCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)O MCULE-8658910436 [1,1,0,0,0,0|1,0,1]=4 151 B17R2.650 COC(=O)C1=CC2=C(C=C1)C(=NN2)C(=O)O MCULE-8606960459 [0,1,0,0,1,0|2,0,0]=4 152 B17R2.650 COC(=O)C1=CC=C2C(=C1)NC=C2C(=O)C MCULE-9685134466 [0,1,0,0,1,0|2,0,0]=4 153 B17R2.650 COC(=O)C1=CN=C2C(=C1)NC=C2C(=O)O MCULE-8942845110 [0,1,0,0,1,0|2,0,0]=4 154 B17R2.40423 O=C(O)C1=CC2=C(C(=C1)Br)C(=NN2)C(=O)O MCULE-8292617521 [0,1,0,0,1,0|2,0,0]=4 155 B17R2.40423 O=C(O)C1=CC2=C(C(=C1)Cl)C(=NN2)C(=O)O MCULE-4749671947 [0,1,0,0,1,0|2,0,0]=4 156 B17R2.40423 O=C(O)C1=CC2=C(C(=C1)F)C(=NN2)C(=O)O MCULE-1853469642 [0,1,0,0,1,0|2,0,0]=4 157 B17R2.8592 CC(=O)C1=CC=C2NC(=C(C2=C1)C)C(=O)O MCULE-4178059478 [0,1,0,0,1,0|2,0,0]=4 158 B17R2.8592 CC1=C(SC2=C1C=C(C=N2)C(=O)O)C(=O)O MCULE-5455170796 [0,1,0,0,1,0|2,0,0]=4 159 B17R2.58099 COC(=O)C1=CC2=C(C=C1)NC(=C2)C(=O)O MCULE-2959757457 [0,1,0,0,1,0|1,0,0]=3 160 B17R2.58099 COC(=O)C1=CC=C2C=C(SC2=C1)C(=O)O MCULE-6763130854 [0,1,0,0,1,0|1,0,0]=3 161 B19R2.93785 CC(=O)OC1=CC=C2C=C(C(=O)OC2=C1)C(=O)O MCULE-7585465017 [0,1,0,0,0,1|2,0,0]=4 162 B19R2.216802 O=C(O)C1=CC=C2C(=C(C=CC2=C1O)C(=O)O)O MCULE-4070039799 [0,2,0,0,0,0|0,0,0]=2 163 B19R2.5668828 CN1C=C(C(=O)C2=CC=C(C=C12)C(=O)O)C(=O)O MCULE-9551889619 [0,2,0,0,0,0|1,0,0]=3 164 B19R2.155652 COC(=O)C1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)Cl MCULE-1215534002 [0,2,0,0,0,0|1,0,1]=4 165 B19R2.256913 O=P(O)(O)C1=CC=C2C=C(C=CC2=C1)P(=O)(O)O MCULE-7766987111 [0,2,0,0,0,0|2,0,0]=4 166 B19R2.256913 O=S(=O)(O)C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O MCULE-4511232574 [0,2,0,0,0,0|2,0,0]=4 167 B19R2.155651 COC(=O)C1=CC=C2C=C(C=CC2=C1)C(=O)OC MCULE-6280505644 [0,2,0,0,0,0|0,0,0]=2 168 B19R2.155651 NNC(=O)C1=CC=C2C=C(C=CC2=C1)C(=O)NN MCULE-1877786782 [0,2,0,0,0,0|2,0,0]=4 169 B19R2.936743 O=C(O)C1=CC(=C2C=C(C=C(C2=C1)O)C(=O)O)O MCULE-5106629925 [0,2,0,0,0,0|0,0,0]=2 170 B17R2.45015 CC(=O)C1=C2C=C(C=NC2=CC=C1)C(=O)O MCULE-2321150248 [0,0,1,1,0,0|2,0,0]=4 171 B17R2.45015 O=C(O)C1=CC=C2C=CC=C(C2=C1)N(=O)=O MCULE-2125823362 [0,0,1,1,0,0|1,0,1]=4 172 B17R2.292287 O=C(O)C1=C2C=CC=C(C2=CC=C1)B(O)O MCULE-1733092038 [0,0,1,1,0,0|1,0,1]=4 173 B17R2.292287 O=C(O)C1=CC=CC2=C(C=CC=C12)N(=O)=O MCULE-8858680237 [0,0,1,1,0,0|1,0,1]=4 174 B17R2.292287 O=C(O)C1=CC=CC2=C1C=CC=C2C(=O)O MCULE-2353723456 [0,0,1,1,0,0|0,0,0]=2 175 B17R2.292287 O=C(O)C1=CC=NC2=C1C=CC=C2C(=O)O MCULE-3622520666 [0,0,1,1,0,0|1,0,0]=3 176 B17R2.292287 O=S(O)C1=CC=CC2=C1C=CC=C2S(=O)O MCULE-7465203968 [0,0,1,1,0,0|2,0,0]=4 177 B19R3.2445453 O=C(O)C1=CC=C2C(=C1)N=CC3=C2NNC3=O MCULE-2464434081 [0,1,0,1,0,0|2,0,0]=4 178 B15R1.876 O=C(O)/C=C/C1=CC(=CC=C1F)C(=O)O MCULE-5966849851 [0,0,1,0,1,0|1,0,0]=3 179 B15R1.876 O=C(O)C=CC1=CC(=CC=C1F)C(=O)O MCULE-3080392762 [0,0,1,0,1,0|1,0,0]=3 180 B15R1.501 C=C(OC1=CC(=CC=C1)C(=O)O)C(=O)O MCULE-4866422160 [0,0,1,0,1,0|1,0,0]=3 181 B15R1.501 O=C(O)C(=O)NC1=CC(=CC=C1)C(=O)O MCULE-2324502779 [0,0,1,0,1,0|2,0,0]=4 182 B15R2.2965 O=CC1=CN=C2N1C=CC(=C2)C(=O)O MCULE-9460227762 [1,0,0,0,1,0|2,0,0]=4 183 B15R2.2965 O=CC1=CNC2=CC(=CC=C12)C(=O)O MCULE-6313956397 [1,0,0,0,1,0|1,0,0]=3 184 B15R2.2965 O=CC1=CNC2=CC(=CN=C12)C(=O)O MCULE-4381770059 [1,0,0,0,1,0|2,0,0]=4 185 B15R2.2965 O=CC1=NNC2=C1C=CC(=C2)C(=O)O MCULE-6576399083 [1,0,0,0,1,0|2,0,0]=4 186 B15R2.4834 O=CC1=CC2=C(C=C1)C=C(N2)C(=O)O MCULE-7213607393 [1,0,0,0,1,0|1,0,0]=3 187 B15R2.4834 O=CC1=CC2=C(C=C1)OC(=C2)C(=O)O MCULE-8896952204 [1,0,0,0,1,0|1,0,0]=3 188 B15R2.16298 O=C(O)C1=CC2=C(S1)C=C(S2)C(=O)O MCULE-8098234025 [0,0,0,0,2,0|2,0,0]=4 189 B15R2.16298 O=C(O)C1=CC2=C(S1)SC(=C2)C(=O)O MCULE-7970299413 [0,0,0,0,2,0|2,0,0]=4 190 B17R2.11737 CC(=O)NC1=CC2=C(C=C1)N=C(C=C2)C=O MCULE-4281428576 [1,0,0,0,0,1|2,0,0]=4 191 B17R2.11737 COC1=CC=C2C=C(C=CC2=C1)CC(=O)O MCULE-6960041836 [1,0,0,0,0,1|2,0,0]=4 192 B17R2.5692 CC(O)C1=CC=C2C(=C1)C=CC=C2C(=O)O MCULE-3668952872 [0,0,0,0,1,1|1,0,1]=4 193 B17R2.44979 CC(=O)C1=CC=C2N=CC(=CC2=C1)C(=O)O MCULE-1587952445 [0,0,0,0,1,1|1,0,0]=3 194 B17R2.44979 NC(=O)C1=CC=C2N=CC(=CC2=C1)C(=O)O MCULE-6716910700 [0,0,0,0,1,1|1,0,0]=3 195 B17R2.44979 O=C(O)C1=CC=C2C=CC(=CC2=C1)C(=O)O MCULE-2646735432 [0,0,0,0,1,1|0,0,0]=2 196 B17R2.44979 O=C(O)C1=CC=C2C=CC(=NC2=N1)C(=O)O MCULE-7430104797 [0,0,0,0,1,1|2,0,0]=4 197 B17R2.60546 CC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)O MCULE-8679728687 [0,0,0,0,1,1|2,0,0]=4 198 B19R2.164271 CC(=O)OC1=CC=C2C=C(C=CC2=C1)OC(=O)C MCULE-9795665600 [0,0,0,0,0,2|2,0,0]=4 199 B19R2.164271 O=C(O)CC1=CC=C2C=C(C=CC2=C1)CC(=O)O MCULE-1728034958 [0,0,0,0,0,2|0,0,0]=2