0 B18R2.17929 C=C(C(=O)O)c1ccc2cc(OC)ccc2c1 Amb18659993 [0,0,0,0,0,0|0,0,2]=2 1 B18R2.17929 COc1ccc2c(c1)CCN(C(C)C(=O)O)C2 Amb19109009 [0,0,0,0,0,0|1,0,3]=4 2 B18R2.17929 COc1ccc2cc(C(=O)C(=O)O)ccc2c1 Amb33474146 [0,0,0,0,0,0|1,0,1]=2 3 B18R2.17929 COc1ccc2cc(C(C)C(=O)O)ccc2c1 Amb9703193 [0,0,0,0,0,0|0,0,0]=0 4 B18R2.17929 COc1ccc2cc(C(N)C(=O)O)ccc2c1 Amb6272856 [0,0,0,0,0,0|1,0,0]=1 5 B18R2.17929 COc1ccc2cc(C(N)C(F)F)ccc2c1 Amb33006047 [0,0,0,0,0,0|3,0,1]=4 6 B18R2.17929 COc1ccc2cc(C(O)C(=O)O)ccc2c1 Amb33473765 [0,0,0,0,0,0|1,0,0]=1 7 B18R2.17929 COc1ccc2cc(C(O)C(C)O)ccc2c1 Amb17949733 [0,0,0,0,0,0|2,0,1]=3 8 B18R2.17929 COc1ccc2cc(C(O)C(F)F)ccc2c1 Amb33436947 [0,0,0,0,0,0|3,0,1]=4 9 B18R2.17929 COc1ccc2cc([C@@H](C)C(=O)O)ccc2c1 Amb10069843 [0,0,0,0,0,0|0,0,0]=0 10 B18R2.17929 COc1ccc2cc([C@@H](C)C(=O)[O-])ccc2c1 Amb19133381 [0,0,0,0,0,0|0,0,1]=1 11 B18R2.17929 COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 Amb558644 [0,0,0,0,0,0|0,0,0]=0 12 B17R2.11734 C#CC(C)c1ccc2cc(OC)ccc2c1 Amb33195843 [1,0,0,0,0,0|1,0,1]=3 13 B17R2.11734 C=CC(=O)c1ccc2cc(OC)ccc2c1 Amb33080486 [1,0,0,0,0,0|2,0,1]=4 14 B17R2.11734 C=CC(O)c1ccc2cc(OC)ccc2c1 Amb33080195 [1,0,0,0,0,0|2,0,0]=3 15 B17R2.11734 COc1ccc2cc(C(=O)C=O)ccc2c1 Amb9826944 [1,0,0,0,0,0|1,0,1]=3 16 B17R2.11734 COc1ccc2cc(C(=O)CO)ccc2c1 Amb33623875 [1,0,0,0,0,0|1,0,2]=4 17 B17R2.11734 COc1ccc2cc(C(C)C#N)ccc2c1 Amb8950005 [1,0,0,0,0,0|1,0,1]=3 18 B17R2.11734 COc1ccc2cc(C(C)C=O)ccc2c1 Amb18657639 [1,0,0,0,0,0|0,0,0]=1 19 B17R2.11734 COc1ccc2cc(C(C)CBr)ccc2c1 Amb33450744 [1,0,0,0,0,0|1,0,1]=3 20 B17R2.11734 COc1ccc2cc(C(C)CN)ccc2c1 Amb8950102 [1,0,0,0,0,0|1,0,1]=3 21 B17R2.11734 COc1ccc2cc(C(C)ON)ccc2c1 Amb33195864 [1,0,0,0,0,0|2,0,0]=3 22 B17R2.11734 COc1ccc2cc(C(F)CN)ccc2c1 Amb33196177 [1,0,0,0,0,0|2,0,1]=4 23 B17R2.11734 COc1ccc2cc(C(N)CF)ccc2c1 Amb33190136 [1,0,0,0,0,0|2,0,1]=4 24 B17R2.11734 COc1ccc2cc(C(N)CO)ccc2c1 Amb18971967 [1,0,0,0,0,0|1,0,1]=3 25 B17R2.11734 COc1ccc2cc(C(O)CBr)ccc2c1 Amb33332011 [1,0,0,0,0,0|2,0,1]=4 26 B17R2.11734 COc1ccc2cc(C(O)CCl)ccc2c1 Amb33260042 [1,0,0,0,0,0|2,0,1]=4 27 B17R2.11734 COc1ccc2cc(C(O)CF)ccc2c1 Amb33195840 [1,0,0,0,0,0|2,0,1]=4 28 B17R2.11734 COc1ccc2cc(C(O)CN)ccc2c1 Amb6740167 [1,0,0,0,0,0|2,0,1]=4 29 B17R2.11734 COc1ccc2cc(C(O)CO)ccc2c1 Amb33224689 [1,0,0,0,0,0|1,0,1]=3 30 B17R2.11734 COc1ccc2cc([C@@H](N)CO)ccc2c1 Amb33079063 [1,0,0,0,0,0|1,0,1]=3 31 B17R2.11734 COc1ccc2cc([C@@H](O)CN)ccc2c1 Amb33196176 [1,0,0,0,0,0|2,0,1]=4 32 B17R2.11734 COc1ccc2cc([C@H](N)CO)ccc2c1 Amb33171765 [1,0,0,0,0,0|1,0,1]=3 33 B17R2.11734 COc1ccc2cc([C@H](O)CN)ccc2c1 Amb33196175 [1,0,0,0,0,0|2,0,1]=4 34 B17R2.11734 [C-]#[N+]C(C)c1ccc2cc(OC)ccc2c1 Amb33196181 [1,0,0,0,0,0|2,0,0]=3 35 B17R2.11737 CCc1ccc2nc(CC(=O)O)ccc2c1 Amb17108634 [1,0,0,0,0,0|2,0,0]=3 36 B17R2.11737 COc1ccc2cc(CC(=N)N)ccc2c1 Amb33195728 [1,0,0,0,0,0|2,0,0]=3 37 B17R2.11737 COc1ccc2cc(CC(=O)O)ccc2c1 Amb33550527 [1,0,0,0,0,0|0,0,0]=1 38 B17R2.11737 COc1ccc2cc(CC(=O)O)cnc2c1 Amb31180487 [1,0,0,0,0,0|1,0,0]=2 39 B17R2.11737 COc1ccc2cc(CC(C)=O)ccc2c1 Amb33195900 [1,0,0,0,0,0|1,0,0]=2 40 B17R2.11737 COc1ccc2cc(CC(C)Br)ccc2c1 Amb33331994 [1,0,0,0,0,0|2,0,1]=4 41 B17R2.11737 COc1ccc2cc(CC(C)O)ccc2c1 Amb30591695 [1,0,0,0,0,0|1,0,1]=3 42 B17R2.11737 COc1ccc2cc(CC(N)=S)ccc2c1 Amb33195813 [1,0,0,0,0,0|1,1,0]=3 43 B17R2.11737 COc1ccc2cc(CN(C)O)ccc2c1 Amb33196197 [1,0,0,0,0,0|2,0,0]=3 44 B17R2.11737 COc1ccc2cc(C[C@@H](C)N)ccc2c1 Amb33195847 [1,0,0,0,0,0|2,0,1]=4 45 B17R2.11737 COc1ccc2cc(C[C@@H](C)N)ccc2c1 Amb35747966 [1,0,0,0,0,0|2,0,1]=4 46 B17R2.11737 COc1ccc2cc(C[C@@H](C)O)ccc2c1 Amb33195844 [1,0,0,0,0,0|1,0,1]=3 47 B17R2.11737 COc1ccc2cc(C[C@H](C)N)ccc2c1 Amb33195846 [1,0,0,0,0,0|2,0,1]=4 48 B17R2.11737 COc1ccc2cc(C[C@H](C)O)ccc2c1 Amb33195845 [1,0,0,0,0,0|1,0,1]=3 49 B17R2.11737 COc1ccc2cc(C[N+](=O)[O-])ccc2c1 Amb33195835 [1,0,0,0,0,0|1,0,1]=3 50 B17R2.11737 COc1ccc2nc(CC(=O)O)ccc2c1 Amb17108652 [1,0,0,0,0,0|1,0,0]=2 51 B17R2.19758 C=C(C(=O)O)c1ccc2nc(C)ccc2c1 Amb33200717 [1,0,0,0,0,0|1,0,2]=4 52 B17R2.19758 CC(C(=O)O)c1ccc2cc(N)ccc2n1 Amb33502417 [1,0,0,0,0,0|2,0,0]=3 53 B17R2.19758 Cc1ccc2cc(C(=O)C(=O)O)ccc2n1 Amb33201351 [1,0,0,0,0,0|2,0,1]=4 54 B17R2.19758 Cc1ccc2cc(C(C)C(=O)O)ccc2n1 Amb32712946 [1,0,0,0,0,0|1,0,0]=2 55 B17R2.19758 Cc1ccc2cc(C(F)C(=O)O)ccc2n1 Amb32713032 [1,0,0,0,0,0|2,0,0]=3 56 B17R2.19758 Cc1ccc2cc(C(N)C(=O)O)ccc2n1 Amb33358658 [1,0,0,0,0,0|2,0,0]=3 57 B17R2.19758 Cc1ccc2cc(C(O)C(=O)O)ccc2n1 Amb32953739 [1,0,0,0,0,0|2,0,0]=3 58 B19R2.295307 COc1ccc2cc(C(C)C(=O)NO)ccc2c1 Amb16192524 [0,1,0,0,0,0|0,0,0]=1 59 B19R2.295323 COc1ccc2cc(C(C)(C)C(=O)O)ccc2c1 Amb21959321 [0,1,0,0,0,0|0,0,0]=1 60 B19R2.295323 COc1ccc2cc(C(C)(F)C(=O)O)ccc2c1 Amb22547014 [0,1,0,0,0,0|0,0,0]=1 61 B19R2.295323 COc1ccc2cc(C(C)(N)C(F)F)ccc2c1 Amb33436308 [0,1,0,0,0,0|2,0,1]=4 62 B19R2.295323 COc1ccc2cc(C(C)(O)C(=O)O)ccc2c1 Amb16206703 [0,1,0,0,0,0|0,0,0]=1 63 B19R2.295323 COc1ccc2cc(C(F)(F)C(=O)O)ccc2c1 Amb32811864 [0,1,0,0,0,0|1,0,0]=2 64 B19R2.295331 COc1ccc2cc(C(C)S(=O)(=O)Cl)ccc2c1 Amb33352837 [0,1,0,0,0,0|1,0,1]=3 65 B19R2.295331 COc1ccc2cc(C(C)S(=O)(=O)F)ccc2c1 Amb33352591 [0,1,0,0,0,0|1,0,1]=3 66 B19R2.1630706 CCC(C(=O)O)c1ccc2cc(OC)ccc2c1 Amb33359724 [0,1,0,0,0,0|0,0,0]=1 67 B19R2.1630706 COc1ccc2cc(C(CN)C(F)F)ccc2c1 Amb32811882 [0,1,0,0,0,0|2,0,1]=4 68 B19R2.2513982 CCc1ccc2c(c1)C=CN(C(C)C(=O)O)C2=O Amb18035094 [0,1,0,0,0,0|2,0,0]=3 69 B19R2.2513982 COc1ccc2c(c1)C=CN(C(C)C(=O)O)C2=O Amb18537874 [0,1,0,0,0,0|1,0,0]=2 70 B17R2.11952 COc1ccc2c(c1)CN(C(C)C(=O)O)C2 Amb17480737 [0,0,0,0,1,0|1,0,2]=4 71 B17R2.72833 CCn1cnc2cc(C(C)C(=O)O)ccc21 Amb18244876 [0,0,0,0,1,0|3,0,0]=4 72 B19R2.1630702 COc1ccc2cc(C(=O)CC(C)=O)ccc2c1 Amb7766322 [0,0,0,0,0,1|2,0,1]=4 73 B19R2.1630702 COc1ccc2cc(C(C)CC(=O)O)ccc2c1 Amb6749200 [0,0,0,0,0,1|0,0,0]=1 74 B19R2.1630702 COc1ccc2cc(\C(C)=C\C(=O)O)ccc2c1 Amb31094548 [0,0,0,0,0,1|0,0,1]=2 75 B19R2.1630702 COc1ccc2cc(\C(O)=C\C(C)=O)ccc2c1 Amb24062893 [0,0,0,0,0,1|2,0,1]=4 76 B19R2.1630703 COc1ccc2cc(CC(=O)C(=O)O)ccc2c1 Amb1129685 [0,0,0,0,0,1|1,0,1]=3 77 B19R2.1630703 COc1ccc2cc(CC(C)C(=O)O)ccc2c1 Amb32412969 [0,0,0,0,0,1|0,0,0]=1 78 B19R2.1630703 COc1ccc2cc(CC(N)C(=O)O)ccc2c1 Amb32412863 [0,0,0,0,0,1|1,0,0]=2 79 B19R2.1630703 COc1ccc2cc(CC(O)C(=O)O)ccc2c1 Amb33353334 [0,0,0,0,0,1|1,0,0]=2 80 B19R2.1630703 COc1ccc2cc(OC(C)C(=O)O)ccc2c1 Amb30623343 [0,0,0,0,0,1|0,0,0]=1 81 B16R1.198 COc1ccc(NC(=O)C(C)C(=O)O)cc1 Amb32415557 [1,0,1,0,0,0|2,0,0]=4 82 B16R2.7486 COc1ccc2cc(B(O)O)ccc2c1 Amb4605862 [2,0,0,0,0,0|2,0,0]=4 83 B16R2.7486 COc1ccc2cc(C(=O)O)ccc2c1 Amb6356897 [2,0,0,0,0,0|1,0,1]=4 84 B16R2.7486 COc1ccc2cc(C(C)=O)ccc2c1 Amb1233023 [2,0,0,0,0,0|0,0,1]=3 85 B16R2.7486 COc1ccc2cc(C(C)Br)ccc2c1 Amb8835375 [2,0,0,0,0,0|1,0,0]=3 86 B16R2.7486 COc1ccc2cc(C(C)Cl)ccc2c1 Amb7766790 [2,0,0,0,0,0|1,0,0]=3 87 B16R2.7486 COc1ccc2cc(C(C)N)ccc2c1 Amb8503270 [2,0,0,0,0,0|1,0,0]=3 88 B16R2.7486 COc1ccc2cc(C(C)N)ccc2c1 Amb9730715 [2,0,0,0,0,0|1,0,0]=3 89 B16R2.7486 COc1ccc2cc(C(C)O)ccc2c1 Amb9748293 [2,0,0,0,0,0|0,0,0]=2 90 B16R2.7486 COc1ccc2cc(C(C)S)ccc2c1 Amb7784680 [2,0,0,0,0,0|0,1,0]=3 91 B16R2.7486 COc1ccc2cc([C@@H](C)N)ccc2c1 Amb22747713 [2,0,0,0,0,0|1,0,0]=3 92 B16R2.7486 COc1ccc2cc([C@@H](C)O)ccc2c1 Amb33079288 [2,0,0,0,0,0|0,0,0]=2 93 B16R2.7486 COc1ccc2cc([C@H](C)N)ccc2c1 Amb33359335 [2,0,0,0,0,0|1,0,0]=3 94 B16R2.7486 COc1ccc2cc([C@H](C)O)ccc2c1 Amb33450191 [2,0,0,0,0,0|0,0,0]=2 95 B16R2.7486 COc1ccc2nc(C(C)C)ccc2c1 Amb31095962 [2,0,0,0,0,0|1,0,1]=4 96 B16R2.28230 C#CCc1ccc2cc(OC)ccc2c1 Amb33195833 [2,0,0,0,0,0|1,0,1]=4 97 B16R2.28230 CCCc1ccc2cc(OC)ccc2c1 Amb20622001 [2,0,0,0,0,0|1,0,1]=4 98 B16R2.28230 CNCc1ccc2cc(OC)ccc2c1 Amb1106070 [2,0,0,0,0,0|2,0,0]=4 99 B16R2.28230 CNCc1ccc2cc(OC)ccc2c1 Amb33334648 [2,0,0,0,0,0|2,0,0]=4 100 B16R2.28230 COc1ccc2cc(CC#N)ccc2c1 Amb17617040 [2,0,0,0,0,0|1,0,1]=4 101 B16R2.28230 COc1ccc2cc(CC=O)ccc2c1 Amb18653267 [2,0,0,0,0,0|0,0,0]=2 102 B16R2.28230 COc1ccc2cc(CCBr)ccc2c1 Amb28289759 [2,0,0,0,0,0|1,0,1]=4 103 B16R2.28230 COc1ccc2cc(CCN)ccc2c1 Amb6249276 [2,0,0,0,0,0|1,0,1]=4 104 B16R2.28230 COc1ccc2cc(CCO)ccc2c1 Amb30593445 [2,0,0,0,0,0|0,0,1]=3 105 B16R2.28230 COc1ccc2cc(CCS)ccc2c1 Amb33195744 [2,0,0,0,0,0|0,1,1]=4 106 B16R2.28230 COc1ccc2cc(CNN)ccc2c1 Amb6245227 [2,0,0,0,0,0|2,0,0]=4 107 B16R2.28230 COc1ccc2cc(CNO)ccc2c1 Amb33448904 [2,0,0,0,0,0|1,0,0]=3 108 B16R2.28230 COc1ccc2cc(CON)ccc2c1 Amb33195868 [2,0,0,0,0,0|2,0,0]=4 109 B16R2.28230 COc1ccc2cc(N=C=O)ccc2c1 Amb33429798 [2,0,0,0,0,0|1,0,1]=4 110 B16R2.28230 [C-]#[N+]Cc1ccc2cc(OC)ccc2c1 Amb33196097 [2,0,0,0,0,0|2,0,0]=4 111 B16R2.33799 Cc1ccc2cc(C(C)C=O)ccc2n1 Amb33200720 [2,0,0,0,0,0|1,0,0]=3 112 B16R2.11988 CC(=O)Cc1ccc2nc(C)ccc2c1 Amb33200637 [2,0,0,0,0,0|2,0,0]=4 113 B16R2.11988 Cc1ccc2cc(CC(=O)O)ccc2n1 Amb19103947 [2,0,0,0,0,0|1,0,0]=3 114 B16R2.11988 Cc1ccc2cc(CC(=O)O)cnc2c1 Amb31112281 [2,0,0,0,0,0|1,0,0]=3 115 B16R2.11988 Nc1ccc2cc(CC(=O)O)ccc2n1 Amb32582504 [2,0,0,0,0,0|2,0,0]=4 116 B16R2.11988 O=C(O)Cc1ccc2cc(Br)ccc2c1 Amb22234440 [2,0,0,0,0,0|1,0,0]=3 117 B16R2.11988 O=C(O)Cc1ccc2cc(Cl)ccc2n1 Amb17108640 [2,0,0,0,0,0|2,0,0]=4 118 B16R2.11988 O=C(O)Cc1ccc2cc(O)ccc2c1 Amb17615624 [2,0,0,0,0,0|0,0,0]=2 119 B16R2.11988 O=C(O)Cc1ccc2nc(Cl)ccc2c1 Amb18658581 [2,0,0,0,0,0|2,0,0]=4 120 B16R2.11988 O=C(O)Cc1ccc2nc(O)ccc2c1 Amb32582505 [2,0,0,0,0,0|1,0,0]=3 121 B16R2.11988 O=C(O)Cc1cnc2cc(Cl)ccc2c1 Amb31181802 [2,0,0,0,0,0|2,0,0]=4 122 B16R2.11988 O=C(O)Cc1cnc2cc(F)ccc2c1 Amb31112812 [2,0,0,0,0,0|2,0,0]=4 123 B16R2.6284 C=C(C(=O)O)c1ccc2ccccc2c1 Amb33172004 [2,0,0,0,0,0|0,0,2]=4 124 B16R2.6284 CC(=O)C(Br)c1ccc2ccccc2c1 Amb31193120 [2,0,0,0,0,0|2,0,0]=4 125 B16R2.6284 CC(C(=O)O)c1ccc2ccccc2c1 Amb18961423 [2,0,0,0,0,0|0,0,0]=2 126 B16R2.6284 CC(C(=O)O)c1ccc2ccccc2n1 Amb26853554 [2,0,0,0,0,0|1,0,0]=3 127 B16R2.6284 CC(C(=O)O)c1ccc2cccnc2c1 Amb25070814 [2,0,0,0,0,0|1,0,0]=3 128 B16R2.6284 CC(C(=O)O)c1ccc2cnccc2c1 Amb25366096 [2,0,0,0,0,0|1,0,0]=3 129 B16R2.6284 CC(C(=O)O)c1ccc2ncccc2c1 Amb16232211 [2,0,0,0,0,0|1,0,0]=3 130 B16R2.6284 CC(C(=O)O)c1cnc2ccccc2c1 Amb18285912 [2,0,0,0,0,0|1,0,0]=3 131 B16R2.6284 CC(C(=O)O)c1cnc2ccccc2n1 Amb24737859 [2,0,0,0,0,0|2,0,0]=4 132 B16R2.6284 CC(C(=O)[O-])c1ccc2ccccc2n1 Amb33378993 [2,0,0,0,0,0|1,0,1]=4 133 B16R2.6284 C[C@@H](C(=O)O)c1ccc2ccccc2c1 Amb33739388 [2,0,0,0,0,0|0,0,0]=2 134 B16R2.6284 C[C@@H](C(=O)O)c1ccc2cccnc2c1 Amb33727758 [2,0,0,0,0,0|1,0,0]=3 135 B16R2.6284 C[C@@H](C(=O)O)c1ccc2cnccc2c1 Amb33727757 [2,0,0,0,0,0|1,0,0]=3 136 B16R2.6284 C[C@@H](C(=O)O)c1ccc2ncccc2c1 Amb33738114 [2,0,0,0,0,0|1,0,0]=3 137 B16R2.6284 C[C@H](C(=O)O)c1ccc2ccccc2c1 Amb33729750 [2,0,0,0,0,0|0,0,0]=2 138 B16R2.6284 C[C@H](C(=O)O)c1ccc2cccnc2c1 Amb33749528 [2,0,0,0,0,0|1,0,0]=3 139 B16R2.6284 C[C@H](C(=O)O)c1ccc2cnccc2c1 Amb33749531 [2,0,0,0,0,0|1,0,0]=3 140 B16R2.6284 C[C@H](C(=O)O)c1ccc2ncccc2c1 Amb33744630 [2,0,0,0,0,0|1,0,0]=3 141 B16R2.6284 NC(=O)C(Cl)c1ccc2ccccc2c1 Amb27643061 [2,0,0,0,0,0|2,0,0]=4 142 B16R2.6284 NC(=O)C(N)c1ccc2ccccc2c1 Amb18955262 [2,0,0,0,0,0|2,0,0]=4 143 B16R2.6284 NC(C(=O)O)c1ccc2ccccc2c1 Amb1813708 [2,0,0,0,0,0|1,0,0]=3 144 B16R2.6284 NC(C(=O)O)c1ccc2ccccc2c1 Amb33550772 [2,0,0,0,0,0|1,0,0]=3 145 B16R2.6284 NC(C(=O)O)c1ccc2ccccc2n1 Amb2696722 [2,0,0,0,0,0|2,0,0]=4 146 B16R2.6284 NC(C(=O)O)c1ccc2cccnc2c1 Amb22499292 [2,0,0,0,0,0|2,0,0]=4 147 B16R2.6284 NC(C(=O)O)c1ccc2ncccc2c1 Amb2695626 [2,0,0,0,0,0|2,0,0]=4 148 B16R2.6284 NC(C(=O)O)c1cnc2ccccc2c1 Amb2696721 [2,0,0,0,0,0|2,0,0]=4 149 B16R2.6284 N[C@@H](C(=O)O)c1ccc2ccccc2c1 Amb30869525 [2,0,0,0,0,0|1,0,0]=3 150 B16R2.6284 O=C(O)C(=O)c1ccc2ccccc2c1 Amb26856830 [2,0,0,0,0,0|1,0,1]=4 151 B16R2.6284 O=C(O)C(Cl)c1ccc2ccccc2c1 Amb28381505 [2,0,0,0,0,0|1,0,0]=3 152 B16R2.6284 O=C(O)C(F)c1ccc2ccccc2c1 Amb25112197 [2,0,0,0,0,0|1,0,0]=3 153 B16R2.6284 O=C(O)C(F)c1ccc2ccccc2n1 Amb25754750 [2,0,0,0,0,0|2,0,0]=4 154 B16R2.6284 O=C(O)C(F)c1ccc2cccnc2c1 Amb27628563 [2,0,0,0,0,0|2,0,0]=4 155 B16R2.6284 O=C(O)C(F)c1ccc2cnccc2c1 Amb25117793 [2,0,0,0,0,0|2,0,0]=4 156 B16R2.6284 O=C(O)C(F)c1ccc2ncccc2c1 Amb26380150 [2,0,0,0,0,0|2,0,0]=4 157 B16R2.6284 O=C(O)C(F)c1cnc2ccccc2c1 Amb27825361 [2,0,0,0,0,0|2,0,0]=4 158 B16R2.6284 O=C(O)C(O)c1ccc2ccccc2c1 Amb18952016 [2,0,0,0,0,0|1,0,0]=3 159 B16R2.6284 O=C(O)C(O)c1ccc2cccnc2c1 Amb33474702 [2,0,0,0,0,0|2,0,0]=4 160 B16R2.6284 O=C(O)C(O)c1ccc2ncccc2c1 Amb26856717 [2,0,0,0,0,0|2,0,0]=4 161 B16R2.6284 O=C(O)C(O)c1cnc2ccccc2c1 Amb33358357 [2,0,0,0,0,0|2,0,0]=4 162 B18R2.17933 COc1ccc2cc(C(CN)CO)ccc2c1 Amb33196178 [1,1,0,0,0,0|0,0,1]=3 163 B18R2.81596 COc1ccc2cc(C(C)CCN)ccc2c1 Amb33172287 [1,1,0,0,0,0|1,0,1]=4 164 B18R2.81596 COc1ccc2cc(C(C)CON)ccc2c1 Amb33195865 [1,1,0,0,0,0|0,0,1]=3 165 B18R2.81596 COc1ccc2cc(C(C)N=C=O)ccc2c1 Amb33196172 [1,1,0,0,0,0|0,0,1]=3 166 B18R2.81596 COc1ccc2cc(C(N)CCO)ccc2c1 Amb32953407 [1,1,0,0,0,0|1,0,1]=4 167 B18R2.81596 COc1ccc2cc([C@@H](N)CCO)ccc2c1 Amb32793451 [1,1,0,0,0,0|1,0,1]=4 168 B18R2.81596 COc1ccc2cc([C@H](N)CCO)ccc2c1 Amb32793516 [1,1,0,0,0,0|1,0,1]=4 169 B18R2.173123 C#CC(C)(C)c1ccc2cc(OC)ccc2c1 Amb33195842 [1,1,0,0,0,0|1,0,1]=4 170 B18R2.173123 CNC(C)(C)c1ccc2cc(OC)ccc2c1 Amb33195821 [1,1,0,0,0,0|2,0,0]=4 171 B18R2.173123 COc1ccc2cc(C(C)(C)C#N)ccc2c1 Amb32954913 [1,1,0,0,0,0|1,0,1]=4 172 B18R2.173123 COc1ccc2cc(C(C)(C)C=O)ccc2c1 Amb33196114 [1,1,0,0,0,0|0,0,0]=2 173 B18R2.173123 COc1ccc2cc(C(C)(C)CN)ccc2c1 Amb33197174 [1,1,0,0,0,0|1,0,1]=4 174 B18R2.173123 COc1ccc2cc(C(C)(C)CO)ccc2c1 Amb33196189 [1,1,0,0,0,0|0,0,1]=3 175 B18R2.173123 COc1ccc2cc(C(C)(C)ON)ccc2c1 Amb33195863 [1,1,0,0,0,0|2,0,0]=4 176 B18R2.173123 COc1ccc2cc(C(C)(N)CO)ccc2c1 Amb33361322 [1,1,0,0,0,0|0,0,1]=3 177 B18R2.173123 COc1ccc2cc(C(C)(O)CN)ccc2c1 Amb33475003 [1,1,0,0,0,0|1,0,1]=4 178 B18R2.173123 COc1ccc2cc(C(F)(F)CO)ccc2c1 Amb32811861 [1,1,0,0,0,0|1,0,1]=4 179 B18R2.408 COc1cc2ccc(CC(=O)O)nc2cc1Cl Amb17583625 [1,1,0,0,0,0|1,0,0]=3 180 B18R2.408 COc1nc2ccc(CC(=O)O)cc2cc1C Amb17142707 [1,1,0,0,0,0|1,0,0]=3 181 B18R2.408 COc1nc2ccc(CC(=O)O)cc2cc1Cl Amb17084020 [1,1,0,0,0,0|1,0,0]=3 182 B18R2.108157 CCc1ccc2nc(CC(=O)O)cc(C)c2c1 Amb19103962 [1,1,0,0,0,0|2,0,0]=4 183 B18R2.108157 COc1ccc2c(c1)C(=O)C=C(CC(=O)O)N2 Amb18536966 [1,1,0,0,0,0|1,0,0]=3 184 B18R2.108157 COc1ccc2nc(CC(=O)O)cc(C)c2c1 Amb19103970 [1,1,0,0,0,0|1,0,0]=3 185 B18R2.108219 CCc1ccc2nc(CC(=O)O)c(C)cc2c1 Amb31105588 [1,1,0,0,0,0|2,0,0]=4 186 B18R2.108219 COc1ccc2c(c1)NC(=O)C(CC(=O)O)=C2 Amb18011957 [1,1,0,0,0,0|1,0,0]=3 187 B18R2.108219 COc1ccc2nc(CC(=O)O)c(C)cc2c1 Amb31106056 [1,1,0,0,0,0|1,0,0]=3 188 B18R2.173116 COC(=O)Cc1ccc2cc(OC)ccc2n1 Amb17580964 [1,1,0,0,0,0|1,0,0]=3 189 B18R2.173116 COc1ccc2cc(CC(N)CO)ccc2c1 Amb33196179 [1,1,0,0,0,0|1,0,1]=4 190 B18R2.173116 COc1ccc2cc(CC(O)CN)ccc2c1 Amb33195831 [1,1,0,0,0,0|1,0,1]=4 191 B18R2.820842 CCc1ccc2c(c1)C=CN(CC(=O)O)C2=O Amb18537861 [1,1,0,0,0,0|2,0,0]=4 192 B18R2.820842 COc1ccc2c(c1)C=CN(CC(=O)O)C2=O Amb18537866 [1,1,0,0,0,0|1,0,0]=3 193 B18R2.820842 COc1ccc2c(c1)C=NN(CC(=O)O)C2=O Amb32658796 [1,1,0,0,0,0|2,0,0]=4 194 B18R2.820842 COc1ccc2c(c1)N=CN(CC(=O)O)C2=O Amb20412699 [1,1,0,0,0,0|2,0,0]=4 195 B18R2.859713 COc1ccc2cc(CC(C)(C)O)ccc2c1 Amb33196188 [1,1,0,0,0,0|1,0,1]=4 196 B18R2.859713 COc1ccc2cc(CS(=O)(=O)Cl)ccc2c1 Amb33352126 [1,1,0,0,0,0|1,0,1]=4 197 B18R2.859713 COc1ccc2cc(CS(=O)(=O)F)ccc2c1 Amb33352586 [1,1,0,0,0,0|1,0,1]=4 198 B18R2.859713 COc1ccc2cc(CS(N)(=O)=O)ccc2c1 Amb33052858 [1,1,0,0,0,0|1,0,1]=4 199 B18R2.10568 CCC(C(=O)O)c1ccc2nc(C)ccc2c1 Amb32953685 [1,1,0,0,0,0|1,0,0]=3 200 B18R2.10568 Cc1ccc2cc(C(CN)C(=O)O)ccc2n1 Amb33201354 [1,1,0,0,0,0|1,0,0]=3 201 B18R2.126090 COC(=O)C(C)c1ccc2cc(N)ccc2n1 Amb33502768 [1,1,0,0,0,0|2,0,0]=4 202 B18R2.126090 COC(=O)C(N)c1ccc2nc(C)ccc2c1 Amb33172192 [1,1,0,0,0,0|2,0,0]=4 203 B18R2.126090 COC(=O)C(O)c1ccc2nc(C)ccc2c1 Amb33079402 [1,1,0,0,0,0|2,0,0]=4 204 B18R2.273544 Cc1ccc2cc(C(C)(C)C(=O)O)ccc2n1 Amb33172138 [1,1,0,0,0,0|1,0,0]=3 205 B18R2.273544 Cc1ccc2cc(C(F)(F)C(=O)O)ccc2n1 Amb33436881 [1,1,0,0,0,0|2,0,0]=4 206 B18R2.1263094 CC(C(=O)O)N1C=Cc2cc(Cl)ccc2C1=O Amb18035092 [1,1,0,0,0,0|2,0,0]=4 207 B18R2.1263094 CC(C(=O)O)N1C=Cc2cc(F)ccc2C1=O Amb18035099 [1,1,0,0,0,0|2,0,0]=4 208 B18R2.1263094 Cc1ccc2c(c1)C=CN(C(C)C(=O)O)C2=O Amb18035091 [1,1,0,0,0,0|1,0,0]=3 209 B20R2.2359448 COC(=O)C[C@H](N)c1ccc2cc(OC)ccc2c1 Amb32792264 [0,1,0,0,0,1|1,0,0]=3 210 B20R2.2359448 COC(=O)\C=C(/C)c1ccc2cc(OC)ccc2c1 Amb33472118 [0,1,0,0,0,1|0,0,1]=3 211 B20R2.2359473 COc1ccc2cc(C(F)(F)CC(=O)O)ccc2c1 Amb32811889 [0,1,0,0,0,1|1,0,0]=3 212 B20R2.269784 COc1cc2ccc(CC(C)C(=O)O)nc2cc1Cl Amb17588283 [0,1,0,0,0,1|1,0,0]=3 213 B20R2.1917212 COc1ccc2cc(CN(C)C(=O)CCl)ccc2c1 Amb471779 [0,1,0,0,0,1|2,0,0]=4 214 B20R2.5587019 COc1ccc2cc(CC(F)(F)C(=O)O)ccc2c1 Amb32811867 [0,1,0,0,0,1|1,0,0]=3 215 B20R2.2211463 CC(C)c1ccc2c(c1)C=CN(C(C)C(=O)O)C2=O Amb18035095 [0,2,0,0,0,0|2,0,0]=4 216 B20R2.8703308 CCOc1ccc2c(c1)C=CN(C(C)C(=O)O)C2=O Amb18537875 [0,2,0,0,0,0|1,0,0]=3 217 B20R2.2286788 CCOC(=O)C(=O)c1ccc2cc(OC)ccc2c1 Amb21961917 [0,2,0,0,0,0|1,0,1]=4 218 B20R2.2286788 CCOC(=O)C(O)c1ccc2cc(OC)ccc2c1 Amb22547596 [0,2,0,0,0,0|1,0,0]=3 219 B20R2.15166186 CCc1ccc2c(c1)C=CN(C(C)(C)C(=O)O)C2=O Amb18040123 [0,2,0,0,0,0|2,0,0]=4 220 B20R2.15166186 COc1ccc2c(c1)C=CN(C(C)(C)C(=O)O)C2=O Amb18040127 [0,2,0,0,0,0|1,0,0]=3 221 B20R2.15166185 CCC(C(=O)O)N1C=Cc2cc(OC)ccc2C1=O Amb18537881 [0,2,0,0,0,0|1,0,0]=3 222 B20R2.15166185 CCc1ccc2c(c1)C=CN(C(CC)C(=O)O)C2=O Amb18035104 [0,2,0,0,0,0|2,0,0]=4 223 B18R2.632 COc1cc2c(c(OC)c1)C=CC(C(=O)O)C2 Amb17472439 [0,0,1,1,0,0|1,0,1]=4 224 B18R3.257986 COc1ccc2cc(C3CC3N)ccc2c1 Amb9677187 [1,0,0,1,0,0|1,0,1]=4 225 B18R3.257986 COc1ccc2cc([C@@H]3C[C@H]3N)ccc2c1 Amb33196147 [1,0,0,1,0,0|1,0,1]=4 226 B18R3.1384535 COc1ccc2cc(C3CCN3)ccc2c1 Amb33359380 [1,0,0,1,0,0|2,0,0]=4 227 B18R3.1384535 COc1ccc2cc(C3CNC3)ccc2c1 Amb33359311 [1,0,0,1,0,0|1,0,1]=4 228 B18R3.2968360 COc1ccc2cc(C3(C)CO3)ccc2c1 Amb33474150 [1,0,0,1,0,0|0,0,1]=3 229 B18R3.257987 COc1ccc2cc(CC3CO3)ccc2c1 Amb33195839 [1,0,0,1,0,0|1,0,1]=4 230 B20R3.1551263 COc1ccc2cc(C3CNC(=O)C3)ccc2c1 Amb33449921 [0,0,0,1,0,1|1,0,0]=3 231 B20R3.1551263 COc1ccc2cc(C3CNC(=O)O3)ccc2c1 Amb32953662 [0,0,0,1,0,1|1,0,0]=3 232 B20R3.1551263 COc1ccc2cc(C3COC(=O)N3)ccc2c1 Amb33474004 [0,0,0,1,0,1|0,0,0]=2 233 B20R3.9079400 COc1ccc2cc(C3CC3C(=O)O)ccc2c1 Amb9677098 [0,0,0,1,0,1|0,0,0]=2 234 B20R3.9079400 COc1ccc2cc([C@@H]3C[C@H]3C(=O)O)ccc2c1 Amb33196167 [0,0,0,1,0,1|0,0,0]=2 235 B20R3.9101996 CCc1ccc2nc3c(cc2c1)CC(C(=O)O)N3 Amb31133638 [0,0,0,1,0,1|2,0,0]=4 236 B20R3.9101996 COc1ccc2cc3c(nc2c1)NC(C(=O)O)C3 Amb31185563 [0,0,0,1,0,1|2,0,0]=4 237 B20R3.9101996 COc1ccc2nc3c(cc2c1)CC(C(=O)O)N3 Amb31185561 [0,0,0,1,0,1|1,0,0]=3 238 B20R3.39106553 COc1ccc2cc(C3(C(=O)O)CC3)ccc2c1 Amb33358977 [0,1,0,1,0,0|0,0,0]=2 239 B20R3.39106553 COc1ccc2cc(C3(C(C)=O)CC3)ccc2c1 Amb33195824 [0,1,0,1,0,0|1,0,0]=3 240 B20R3.39106553 COc1ccc2cc(C3(C(C)O)CC3)ccc2c1 Amb33224681 [0,1,0,1,0,0|1,0,1]=4 241 B16R1.17187 COC(=O)c1ccc(C(C)C(=O)O)cc1C Amb33344906 [0,0,1,0,1,0|1,0,1]=4 242 B16R1.17187 COC(=O)c1ccc(C(C)C(=O)O)cc1Cl Amb33221729 [0,0,1,0,1,0|2,0,0]=4 243 B16R2.2483 COc1ccc2c(ccn2C(C)C=O)c1 Amb30021018 [1,0,0,0,1,0|1,0,0]=3 244 B16R2.2482 CCc1ccc2c(CC(=O)O)coc2c1 Amb1104909 [1,0,0,0,1,0|2,0,0]=4 245 B16R2.2482 CCc1ccc2c(c1)C=CC2CC(=O)O Amb17471018 [1,0,0,0,1,0|1,0,1]=4 246 B16R2.2482 COc1ccc2c(CC(=O)O)coc2c1 Amb1209241 [1,0,0,0,1,0|1,0,0]=3 247 B16R2.2482 COc1ccc2c(CC(=O)O)csc2c1 Amb27667668 [1,0,0,0,1,0|1,0,0]=3 248 B16R2.2482 COc1ccc2c(CC(=O)O)noc2c1 Amb17040408 [1,0,0,0,1,0|2,0,0]=4 249 B16R2.2482 COc1ccc2c(c1)C=CC2CC(=O)O Amb17471086 [1,0,0,0,1,0|0,0,1]=3 250 B16R2.2482 COc1ccc2c(ccn2CC(=O)O)c1 Amb534085 [1,0,0,0,1,0|1,0,0]=3 251 B16R2.2482 COc1ccn2c(CC(=O)O)cnc2c1 Amb24097696 [1,0,0,0,1,0|2,0,0]=4 252 B16R2.7607 CCc1ccc2oc(CC(=O)O)cc2c1 Amb7094267 [1,0,0,0,1,0|2,0,0]=4 253 B16R2.7607 COc1ccc2cc(CC(=O)O)oc2c1 Amb17334016 [1,0,0,0,1,0|1,0,0]=3 254 B16R2.7607 COc1ccc2nc(CC(=O)O)sc2c1 Amb27171830 [1,0,0,0,1,0|2,0,0]=4 255 B16R2.7607 COc1ccc2oc(CC(=O)O)cc2c1 Amb7094285 [1,0,0,0,1,0|1,0,0]=3 256 B16R2.7607 COc1ccn2cc(CC(=O)O)nc2c1 Amb18781699 [1,0,0,0,1,0|2,0,0]=4 257 B16R2.3891 Cc1nc2cc(C(C)C(=O)O)ccc2o1 Amb18895308 [1,0,0,0,1,0|2,0,0]=4 258 B16R2.3891 Cc1nc2ccc(C(C)C(=O)O)cc2o1 Amb18895311 [1,0,0,0,1,0|2,0,0]=4 259 B16R2.12098 CC(C(=O)O)c1cc2cc(Br)ccc2o1 Amb27795393 [1,0,0,0,1,0|2,0,0]=4 260 B16R2.12098 CC(C(=O)O)c1cc2cc(Cl)ccc2o1 Amb28254117 [1,0,0,0,1,0|2,0,0]=4 261 B16R2.12098 CC(C(=O)O)c1cc2cc(F)ccc2o1 Amb25729374 [1,0,0,0,1,0|2,0,0]=4 262 B16R2.12098 Cc1ccc2oc(C(C)C(=O)O)cc2c1 Amb24341035 [1,0,0,0,1,0|1,0,0]=3 263 B16R2.12098 Cc1ccc2oc(C(F)C(=O)O)cc2c1 Amb25803077 [1,0,0,0,1,0|2,0,0]=4 264 B16R2.12530 CC(=O)C(C)n1ccc2cc(C)ccc21 Amb28423552 [1,0,0,0,1,0|2,0,0]=4 265 B16R2.12530 CC(C(=O)O)n1ccc2cc(Br)ccc21 Amb27649323 [1,0,0,0,1,0|2,0,0]=4 266 B16R2.12530 CC(C(=O)O)n1ccc2cc(N)ccc21 Amb32699173 [1,0,0,0,1,0|2,0,0]=4 267 B16R2.12530 Cc1ccc2c(ccn2[C@H](C)C(=O)O)c1 Amb27451505 [1,0,0,0,1,0|1,0,0]=3 268 B16R2.15330 CC(C(=O)O)c1ccc2c(c1)ncn2C Amb18895131 [1,0,0,0,1,0|2,0,0]=4 269 B16R2.15330 CC(C(=O)O)c1ccc2c(ccn2C)c1 Amb33418620 [1,0,0,0,1,0|1,0,0]=3 270 B16R2.15330 Cn1ccc2cc(C(N)C(=O)O)ccc21 Amb18784705 [1,0,0,0,1,0|2,0,0]=4 271 B16R2.15330 Cn1ccc2cc(C(O)C(=O)O)ccc21 Amb33359731 [1,0,0,0,1,0|2,0,0]=4 272 B18R2.17930 COc1ccc2cc(CCC(=O)O)ccc2c1 Amb6269859 [1,0,0,0,0,1|0,0,0]=2 273 B18R2.17930 COc1ccc2cc(CCC(C)=O)ccc2c1 Amb6296730 [1,0,0,0,0,1|1,0,0]=3 274 B18R2.17930 COc1ccc2cc(CCC(C)O)ccc2c1 Amb22497250 [1,0,0,0,0,1|1,0,1]=4 275 B18R2.17930 COc1ccc2cc(CC[C@@H](C)O)ccc2c1 Amb33195850 [1,0,0,0,0,1|1,0,1]=4 276 B18R2.17930 COc1ccc2cc(CC[C@H](C)O)ccc2c1 Amb33195851 [1,0,0,0,0,1|1,0,1]=4 277 B18R2.17930 COc1ccc2cc(CC[N+](=O)[O-])ccc2c1 Amb33195834 [1,0,0,0,0,1|1,0,1]=4 278 B18R2.17930 COc1ccc2cc(OCC(=O)O)ccc2c1 Amb18661383 [1,0,0,0,0,1|0,0,0]=2 279 B18R2.17930 COc1ccc2cc(SCC(=O)O)ccc2c1 Amb2796088 [1,0,0,0,0,1|0,0,0]=2 280 B18R2.17930 COc1ccc2cc(\C=C\C(=O)O)ccc2c1 Amb42507 [1,0,0,0,0,1|0,0,1]=3 281 B18R2.17930 COc1ccc2cc(\C=C\C(C)=O)ccc2c1 Amb33172409 [1,0,0,0,0,1|1,0,1]=4 282 B18R2.17930 COc1ccc2nc(CCC(=O)O)cnc2c1 Amb32455075 [1,0,0,0,0,1|2,0,0]=4 283 B18R2.17930 COc1ccc2nc(\C=C\C(=O)O)ccc2c1 Amb17580806 [1,0,0,0,0,1|1,0,1]=4 284 B18R2.17930 CSc1ccc2cc(OCC(=O)O)ccc2c1 Amb2796089 [1,0,0,0,0,1|0,1,0]=3 285 B18R2.339506 Cc1ccc2cc(C(C)CC(=O)O)ccc2n1 Amb33474962 [1,0,0,0,0,1|1,0,0]=3 286 B18R2.339506 Cc1ccc2cc(C(N)CC(=O)O)ccc2n1 Amb33358469 [1,0,0,0,0,1|2,0,0]=4 287 B18R2.339506 Cc1ccc2cc(C(O)CC(=O)O)ccc2n1 Amb33359341 [1,0,0,0,0,1|2,0,0]=4 288 B18R2.339506 Cc1ccc2cc([C@@H](O)CC(=O)O)ccc2n1 Amb33201017 [1,0,0,0,0,1|2,0,0]=4 289 B18R2.339506 Cc1ccc2cc([C@H](O)CC(=O)O)ccc2n1 Amb33201016 [1,0,0,0,0,1|2,0,0]=4 290 B18R2.339507 CC(Cc1ccc2cc(F)ccc2n1)C(=O)O Amb17581279 [1,0,0,0,0,1|2,0,0]=4 291 B18R2.339507 Cc1ccc2cc(CC(C)C(=O)O)ccc2n1 Amb32954764 [1,0,0,0,0,1|1,0,0]=3 292 B18R2.339507 Cc1ccc2cc(CC(N)C(=O)O)ccc2n1 Amb33079880 [1,0,0,0,0,1|2,0,0]=4 293 B18R2.339507 Cc1ccc2cc(CC(O)C(=O)O)ccc2n1 Amb33201059 [1,0,0,0,0,1|2,0,0]=4 294 B18R2.17885 COc1ccc2ccc(C(C)C(=O)O)cc2c1 Amb18660670 [0,0,0,0,1,1|0,0,0]=2 295 B20R2.2359433 COc1ccc2cc(C(=O)CCC(=O)O)ccc2c1 Amb32434947 [0,0,0,0,0,2|1,0,1]=4