0 B18R2.17930 COc1ccc2cc(CCC(=O)O)ccc2c1 Amb6269859 [0,0,0,0,0,0|1,0,0]=1 1 B18R2.17930 COc1ccc2cc(CCC(C)=O)ccc2c1 Amb6296730 [0,0,0,0,0,0|0,0,0]=0 2 B18R2.17930 COc1ccc2cc(CCC(C)N)ccc2c1 Amb33358751 [0,0,0,0,0,0|1,0,1]=2 3 B18R2.17930 COc1ccc2cc(CCC(C)O)ccc2c1 Amb22497250 [0,0,0,0,0,0|0,0,2]=2 4 B18R2.17930 COc1ccc2cc(CC[C@@H](C)N)ccc2c1 Amb33195849 [0,0,0,0,0,0|1,0,1]=2 5 B18R2.17930 COc1ccc2cc(CC[C@@H](C)O)ccc2c1 Amb33195850 [0,0,0,0,0,0|0,0,2]=2 6 B18R2.17930 COc1ccc2cc(CC[C@H](C)N)ccc2c1 Amb33195848 [0,0,0,0,0,0|1,0,1]=2 7 B18R2.17930 COc1ccc2cc(CC[C@H](C)O)ccc2c1 Amb33195851 [0,0,0,0,0,0|0,0,2]=2 8 B18R2.17930 COc1ccc2cc(CC[N+](=O)[O-])ccc2c1 Amb33195834 [0,0,0,0,0,0|2,0,0]=2 9 B18R2.17930 COc1ccc2cc(OCC(=O)O)ccc2c1 Amb18661383 [0,0,0,0,0,0|2,0,0]=2 10 B18R2.17930 COc1ccc2cc(SCC(=O)O)ccc2c1 Amb2796088 [0,0,0,0,0,0|2,0,0]=2 11 B18R2.17930 COc1ccc2cc(\C=C\C(=O)O)ccc2c1 Amb42507 [0,0,0,0,0,0|1,0,2]=3 12 B18R2.17930 COc1ccc2cc(\C=C\C(C)=O)ccc2c1 Amb33172409 [0,0,0,0,0,0|0,0,2]=2 13 B18R2.17930 COc1ccc2cc(\C=C\C(C)N)ccc2c1 Amb33195778 [0,0,0,0,0,0|1,0,3]=4 14 B18R2.17930 COc1ccc2cc(\C=C\[N+](=O)[O-])ccc2c1 Amb33429643 [0,0,0,0,0,0|2,0,2]=4 15 B18R2.17930 COc1ccc2nc(CCC(=O)O)cnc2c1 Amb32455075 [0,0,0,0,0,0|3,0,0]=3 16 B18R2.17930 COc1ccc2nc(\C=C\C(=O)O)ccc2c1 Amb17580806 [0,0,0,0,0,0|2,0,2]=4 17 B18R2.17930 CSc1ccc2cc(OCC(=O)O)ccc2c1 Amb2796089 [0,0,0,0,0,0|2,1,0]=3 18 B17R2.19759 CC(=O)CCc1ccc2nc(C)ccc2c1 Amb32954790 [1,0,0,0,0,0|1,0,0]=2 19 B17R2.19759 CC(=O)COc1ccc2cc(Br)ccc2c1 Amb4650680 [1,0,0,0,0,0|2,0,0]=3 20 B17R2.19759 CC(=O)\C=C\c1ccc2nc(C)ccc2c1 Amb32953632 [1,0,0,0,0,0|1,0,2]=4 21 B17R2.19759 Cc1ccc2cc(CCC(=O)O)ccc2n1 Amb19106147 [1,0,0,0,0,0|2,0,0]=3 22 B17R2.19759 Cc1ccc2cc(CCC(=O)O)cnc2c1 Amb22499960 [1,0,0,0,0,0|2,0,0]=3 23 B17R2.19759 Cc1ccc2cc(CCC(C)N)ccc2n1 Amb33359436 [1,0,0,0,0,0|2,0,1]=4 24 B17R2.19759 Cc1ccc2cc(CCC(C)O)ccc2n1 Amb33474233 [1,0,0,0,0,0|1,0,2]=4 25 B17R2.19759 Cc1ccc2cc(CCC(N)=O)ccc2n1 Amb19106445 [1,0,0,0,0,0|2,0,0]=3 26 B17R2.19759 Cc1ccc2cc(CC[C@@H](C)N)ccc2n1 Amb33201990 [1,0,0,0,0,0|2,0,1]=4 27 B17R2.19759 Cc1ccc2cc(CC[C@@H](C)O)ccc2n1 Amb33200742 [1,0,0,0,0,0|1,0,2]=4 28 B17R2.19759 Cc1ccc2cc(CC[C@H](C)N)ccc2n1 Amb33201989 [1,0,0,0,0,0|2,0,1]=4 29 B17R2.19759 Cc1ccc2cc(CC[C@H](C)O)ccc2n1 Amb33200963 [1,0,0,0,0,0|1,0,2]=4 30 B17R2.19759 Cc1ccc2cc(CC[N+](=O)[O-])ccc2n1 Amb33200714 [1,0,0,0,0,0|3,0,0]=4 31 B17R2.19759 Cc1ccc2cc(OCC(=O)O)ccc2n1 Amb18354958 [1,0,0,0,0,0|3,0,0]=4 32 B17R2.19759 Cc1ccc2cc(OCC(N)=O)ccc2n1 Amb19107903 [1,0,0,0,0,0|3,0,0]=4 33 B17R2.19759 Cc1ccc2nc(CCC(=O)O)cnc2c1 Amb32455073 [1,0,0,0,0,0|3,0,0]=4 34 B17R2.19759 Cc1ccc2nc(SCC(=O)O)ccc2c1 Amb31106938 [1,0,0,0,0,0|3,0,0]=4 35 B17R2.19759 O=C(O)CCc1ccc2cc(Br)ccc2c1 Amb33470125 [1,0,0,0,0,0|2,0,0]=3 36 B17R2.19759 O=C(O)CCc1cnc2cc(Cl)ccc2c1 Amb31107665 [1,0,0,0,0,0|3,0,0]=4 37 B17R2.19759 O=C(O)CCc1cnc2cc(F)ccc2c1 Amb31181113 [1,0,0,0,0,0|3,0,0]=4 38 B17R2.19759 O=C(O)COc1ccc2cc(Br)ccc2c1 Amb33526840 [1,0,0,0,0,0|3,0,0]=4 39 B17R2.59609 C#CCCc1ccc2cc(OC)ccc2c1 Amb33195764 [1,0,0,0,0,0|0,0,2]=3 40 B17R2.59609 CNCCc1ccc2cc(OC)ccc2c1 Amb32954868 [1,0,0,0,0,0|1,0,0]=2 41 B17R2.59609 CNCCc1ccc2cc(OC)ccc2n1 Amb17579735 [1,0,0,0,0,0|2,0,0]=3 42 B17R2.59609 COc1ccc2cc(CCC#N)ccc2c1 Amb18131313 [1,0,0,0,0,0|1,0,1]=3 43 B17R2.59609 COc1ccc2cc(CCC=O)ccc2c1 Amb33195681 [1,0,0,0,0,0|0,0,0]=1 44 B17R2.59609 COc1ccc2cc(CCCBr)ccc2c1 Amb33332161 [1,0,0,0,0,0|1,0,1]=3 45 B17R2.59609 COc1ccc2cc(CCCN)ccc2c1 Amb33473990 [1,0,0,0,0,0|1,0,1]=3 46 B17R2.59609 COc1ccc2cc(CCCO)ccc2c1 Amb23504277 [1,0,0,0,0,0|0,0,2]=3 47 B17R2.59609 COc1ccc2cc(CCCS)ccc2c1 Amb33195739 [1,0,0,0,0,0|0,1,1]=3 48 B17R2.59609 COc1ccc2cc(CCON)ccc2c1 Amb33195867 [1,0,0,0,0,0|2,0,0]=3 49 B17R2.59609 COc1ccc2cc(CN=C=O)ccc2c1 Amb33196052 [1,0,0,0,0,0|1,0,1]=3 50 B17R2.59609 COc1ccc2cc(CN=[N+]=[N-])ccc2c1 Amb33195837 [1,0,0,0,0,0|3,0,0]=4 51 B17R2.59609 COc1ccc2cc(OCCN)ccc2c1 Amb33195763 [1,0,0,0,0,0|2,0,1]=4 52 B17R2.59609 COc1ccc2cc(\C=C\C=O)ccc2c1 Amb33079913 [1,0,0,0,0,0|0,0,2]=3 53 B17R2.59609 [C-]#[N+]CCc1ccc2cc(OC)ccc2c1 Amb33196180 [1,0,0,0,0,0|1,0,1]=3 54 B19R2.295305 COc1ccc2cc(CCC(C)(C)N)ccc2c1 Amb33195858 [0,1,0,0,0,0|1,0,1]=3 55 B19R2.295305 COc1ccc2cc(CCS(=O)(=O)Cl)ccc2c1 Amb33056369 [0,1,0,0,0,0|2,0,0]=3 56 B19R2.295305 COc1ccc2cc(CCS(=O)(=O)F)ccc2c1 Amb33056449 [0,1,0,0,0,0|2,0,0]=3 57 B19R2.295305 COc1ccc2cc(COS(N)(=O)=O)ccc2c1 Amb33052854 [0,1,0,0,0,0|3,0,0]=4 58 B19R2.1486409 COc1ccc2c(c1)NC(=O)C(CCC(=O)O)=C2 Amb18363956 [0,1,0,0,0,0|2,0,0]=3 59 B19R2.1486409 COc1ccc2cc(CCC(=O)O)c(Cl)nc2c1 Amb5745222 [0,1,0,0,0,0|2,0,0]=3 60 B19R2.1630702 COc1ccc2cc(C(=O)CC(C)=O)ccc2c1 Amb7766322 [0,1,0,0,0,0|0,0,1]=2 61 B19R2.1630702 COc1ccc2cc(C(C)CC(=O)O)ccc2c1 Amb6749200 [0,1,0,0,0,0|1,0,0]=2 62 B19R2.1630702 COc1ccc2cc(\C(C)=C\C(=O)O)ccc2c1 Amb31094548 [0,1,0,0,0,0|1,0,2]=4 63 B19R2.1630702 COc1ccc2cc(\C(O)=C\C(C)=O)ccc2c1 Amb24062893 [0,1,0,0,0,0|0,0,2]=3 64 B19R2.1630703 COc1ccc2cc(CC(=O)C(=O)O)ccc2c1 Amb1129685 [0,1,0,0,0,0|1,0,1]=3 65 B19R2.1630703 COc1ccc2cc(CC(C)C(=O)O)ccc2c1 Amb32412969 [0,1,0,0,0,0|1,0,0]=2 66 B19R2.1630703 COc1ccc2cc(CC(N)C(=O)O)ccc2c1 Amb32412863 [0,1,0,0,0,0|1,0,0]=2 67 B19R2.1630703 COc1ccc2cc(CC(N)C(F)F)ccc2c1 Amb32812262 [0,1,0,0,0,0|2,0,1]=4 68 B19R2.1630703 COc1ccc2cc(CC(O)C(=O)O)ccc2c1 Amb33353334 [0,1,0,0,0,0|1,0,0]=2 69 B19R2.1630703 COc1ccc2cc(OC(C)C(=O)O)ccc2c1 Amb30623343 [0,1,0,0,0,0|2,0,0]=3 70 B19R2.1630704 COc1ccc2cc(OCC(=O)NN)ccc2c1 Amb1935145 [0,1,0,0,0,0|2,0,0]=3 71 B19R2.1637441 CCc1ccc2c(c1)C(=O)C=C(CCC(=O)O)O2 Amb18013122 [0,1,0,0,0,0|3,0,0]=4 72 B19R2.1637441 CCc1ccc2nc(CCC(N)=O)cc(C)c2c1 Amb19106471 [0,1,0,0,0,0|3,0,0]=4 73 B19R2.1637441 COc1ccc2c(c1)C(=O)C=C(CCC(=O)O)O2 Amb18013126 [0,1,0,0,0,0|2,0,0]=3 74 B19R2.1637441 COc1ccc2nc(CCC(N)=O)cc(C)c2c1 Amb19106477 [0,1,0,0,0,0|2,0,0]=3 75 B19R2.1637441 COc1ccc2nc(SCC(=O)O)cc(C)c2c1 Amb4381643 [0,1,0,0,0,0|3,0,0]=4 76 B19R2.2513980 CCc1ccc2c(c1)C=CN(CCC(=O)O)C2=O Amb18035108 [0,1,0,0,0,0|3,0,0]=4 77 B19R2.2513980 COc1ccc2c(c1)C=CN(CCC(=O)O)C2=O Amb18537887 [0,1,0,0,0,0|2,0,0]=3 78 B19R2.2513980 COc1ccc2c(c1)OC=C(CCC(=O)O)C2=O Amb18529178 [0,1,0,0,0,0|2,0,0]=3 79 B17R2.2764 CCc1ccc2c(ccn2CCC(=O)O)c1 Amb18896578 [0,0,0,0,1,0|3,0,0]=4 80 B17R2.2764 COc1ccc2c(ccn2CCC(=O)O)c1 Amb535793 [0,0,0,0,1,0|2,0,0]=3 81 B17R2.11737 CCc1ccc2nc(CC(=O)O)ccc2c1 Amb17108634 [0,0,0,0,1,0|3,0,0]=4 82 B17R2.11737 COc1ccc2cc(CC(=N)N)ccc2c1 Amb33195728 [0,0,0,0,1,0|2,0,0]=3 83 B17R2.11737 COc1ccc2cc(CC(=O)O)ccc2c1 Amb33550527 [0,0,0,0,1,0|1,0,0]=2 84 B17R2.11737 COc1ccc2cc(CC(=O)O)cnc2c1 Amb31180487 [0,0,0,0,1,0|2,0,0]=3 85 B17R2.11737 COc1ccc2cc(CC(C)=O)ccc2c1 Amb33195900 [0,0,0,0,1,0|0,0,0]=1 86 B17R2.11737 COc1ccc2cc(CC(C)Br)ccc2c1 Amb33331994 [0,0,0,0,1,0|1,0,1]=3 87 B17R2.11737 COc1ccc2cc(CC(C)O)ccc2c1 Amb30591695 [0,0,0,0,1,0|0,0,2]=3 88 B17R2.11737 COc1ccc2cc(CC(N)=S)ccc2c1 Amb33195813 [0,0,0,0,1,0|1,1,0]=3 89 B17R2.11737 COc1ccc2cc(CN(C)O)ccc2c1 Amb33196197 [0,0,0,0,1,0|1,0,1]=3 90 B17R2.11737 COc1ccc2cc(C[C@@H](C)N)ccc2c1 Amb33195847 [0,0,0,0,1,0|1,0,1]=3 91 B17R2.11737 COc1ccc2cc(C[C@@H](C)N)ccc2c1 Amb35747966 [0,0,0,0,1,0|1,0,1]=3 92 B17R2.11737 COc1ccc2cc(C[C@@H](C)O)ccc2c1 Amb33195844 [0,0,0,0,1,0|0,0,2]=3 93 B17R2.11737 COc1ccc2cc(C[C@H](C)N)ccc2c1 Amb33195846 [0,0,0,0,1,0|1,0,1]=3 94 B17R2.11737 COc1ccc2cc(C[C@H](C)O)ccc2c1 Amb33195845 [0,0,0,0,1,0|0,0,2]=3 95 B17R2.11737 COc1ccc2cc(C[N+](=O)[O-])ccc2c1 Amb33195835 [0,0,0,0,1,0|2,0,0]=3 96 B17R2.11737 COc1ccc2nc(CC(=O)O)ccc2c1 Amb17108652 [0,0,0,0,1,0|2,0,0]=3 97 B17R2.11737 COc1ccc2nc(CC(C)N)ccc2c1 Amb17579741 [0,0,0,0,1,0|2,0,1]=4 98 B17R2.11953 CCc1ccc2oc(CCC(=O)O)cc2c1 Amb7094273 [0,0,0,0,1,0|3,0,0]=4 99 B17R2.11953 COc1ccc2oc(CCC(=O)O)nc2c1 Amb17571923 [0,0,0,0,1,0|3,0,0]=4 100 B17R2.72834 CCn1cnc2cc(CCC(C)=O)ccc21 Amb18896459 [0,0,0,0,1,0|3,0,0]=4 101 B19R2.295308 COc1ccc2cc(CCCC(=O)O)ccc2c1 Amb33171924 [0,0,0,0,0,1|1,0,0]=2 102 B19R2.295308 COc1ccc2cc(CCCC(C)=O)ccc2c1 Amb24063201 [0,0,0,0,0,1|0,0,0]=1 103 B16R1.11227 O=C(O)CCC(=O)\C=C\c1cccc(O)c1 Amb24090282 [1,0,1,0,0,0|2,0,0]=4 104 B16R2.477 C=C(Br)CCc1ccc2ccccc2c1 Amb6299568 [2,0,0,0,0,0|1,0,1]=4 105 B16R2.477 C=C(C)CCc1ccc2ccccc2c1 Amb6299570 [2,0,0,0,0,0|1,0,0]=3 106 B16R2.477 C=C(Cl)CCc1ccc2ccccc2c1 Amb6299566 [2,0,0,0,0,0|1,0,1]=4 107 B16R2.477 CC(=O)CCc1ccc2ccccc2c1 Amb28041962 [2,0,0,0,0,0|0,0,0]=2 108 B16R2.477 CC(=O)CCc1ccc2ccccc2n1 Amb25122255 [2,0,0,0,0,0|1,0,0]=3 109 B16R2.477 CC(=O)CCc1ccc2cccnc2c1 Amb24732296 [2,0,0,0,0,0|1,0,0]=3 110 B16R2.477 CC(=O)CCc1ccc2ncccc2c1 Amb24345319 [2,0,0,0,0,0|1,0,0]=3 111 B16R2.477 CC(=O)CCc1cnc2ccccc2c1 Amb8454845 [2,0,0,0,0,0|1,0,0]=3 112 B16R2.477 CC(=O)CCc1cnc2ccccc2n1 Amb24648465 [2,0,0,0,0,0|2,0,0]=4 113 B16R2.477 CC(=O)COc1ccc2ncccc2c1 Amb18354948 [2,0,0,0,0,0|2,0,0]=4 114 B16R2.477 CC(=O)CSc1ccc2ccccc2c1 Amb4857692 [2,0,0,0,0,0|1,0,0]=3 115 B16R2.477 CC(=O)CSc1ccc2ccccc2n1 Amb26042230 [2,0,0,0,0,0|2,0,0]=4 116 B16R2.477 CC(=O)NNc1ccc2ccccc2c1 Amb22039473 [2,0,0,0,0,0|2,0,0]=4 117 B16R2.477 CC(=O)OCc1ccc2ccccc2n1 Amb528116 [2,0,0,0,0,0|2,0,0]=4 118 B16R2.477 CC(=O)\C=C\c1ccc2ccccc2c1 Amb27603881 [2,0,0,0,0,0|0,0,2]=4 119 B16R2.477 CC(Cl)CCc1ccc2ccccc2c1 Amb27873054 [2,0,0,0,0,0|1,0,1]=4 120 B16R2.477 CC(N)CCc1ccc2ccccc2c1 Amb33359116 [2,0,0,0,0,0|1,0,1]=4 121 B16R2.477 CC(O)CCc1ccc2ccccc2c1 Amb33429892 [2,0,0,0,0,0|0,0,2]=4 122 B16R2.477 C[C@@H](N)CCc1ccc2ccccc2c1 Amb33474915 [2,0,0,0,0,0|1,0,1]=4 123 B16R2.477 C[C@@H](O)CCc1ccc2ccccc2c1 Amb33362161 [2,0,0,0,0,0|0,0,2]=4 124 B16R2.477 C[C@H](N)CCc1ccc2ccccc2c1 Amb33079342 [2,0,0,0,0,0|1,0,1]=4 125 B16R2.477 C[C@H](O)CCc1ccc2ccccc2c1 Amb33362162 [2,0,0,0,0,0|0,0,2]=4 126 B16R2.477 NC(=O)CCc1cc2ccccc2cn1 Amb32429869 [2,0,0,0,0,0|2,0,0]=4 127 B16R2.477 NC(=O)CCc1ccc2cccnc2c1 Amb18354041 [2,0,0,0,0,0|2,0,0]=4 128 B16R2.477 NC(=O)CCc1ccc2ccncc2c1 Amb18354109 [2,0,0,0,0,0|2,0,0]=4 129 B16R2.477 NC(=O)CCc1ccc2cnccc2c1 Amb18354111 [2,0,0,0,0,0|2,0,0]=4 130 B16R2.477 NC(=O)CCc1ccc2ncccc2c1 Amb19106569 [2,0,0,0,0,0|2,0,0]=4 131 B16R2.477 NC(=O)COc1ccc2ccccc2c1 Amb3836175 [2,0,0,0,0,0|2,0,0]=4 132 B16R2.477 O=C(Cl)COc1ccc2ccccc2c1 Amb10880006 [2,0,0,0,0,0|2,0,0]=4 133 B16R2.477 O=C(O)CCc1ccc2ccccc2c1 Amb3934499 [2,0,0,0,0,0|1,0,0]=3 134 B16R2.477 O=C(O)CCc1ccc2ccccc2n1 Amb2320110 [2,0,0,0,0,0|2,0,0]=4 135 B16R2.477 O=C(O)CCc1ccc2cccnc2c1 Amb18354032 [2,0,0,0,0,0|2,0,0]=4 136 B16R2.477 O=C(O)CCc1ccc2ccncc2c1 Amb18353951 [2,0,0,0,0,0|2,0,0]=4 137 B16R2.477 O=C(O)CCc1ccc2cnccc2c1 Amb18353952 [2,0,0,0,0,0|2,0,0]=4 138 B16R2.477 O=C(O)CCc1ccc2ncccc2c1 Amb18354030 [2,0,0,0,0,0|2,0,0]=4 139 B16R2.477 O=C(O)CCc1cnc2ccccc2c1 Amb18653534 [2,0,0,0,0,0|2,0,0]=4 140 B16R2.477 O=C(O)CNc1ccc2ccccc2c1 Amb4598585 [2,0,0,0,0,0|2,0,0]=4 141 B16R2.477 O=C(O)COc1ccc2ccccc2c1 Amb1830480 [2,0,0,0,0,0|2,0,0]=4 142 B16R2.477 O=C(O)CSc1ccc2ccccc2c1 Amb1212229 [2,0,0,0,0,0|2,0,0]=4 143 B16R2.477 O=[N+]([O-])CCc1ccc2ccccc2c1 Amb33361940 [2,0,0,0,0,0|2,0,0]=4 144 B16R2.30336 CCCCc1ccc2nc(C)ccc2c1 Amb18355169 [2,0,0,0,0,0|1,0,1]=4 145 B16R2.30336 CCCOc1ccc2cc(O)ccc2c1 Amb32721024 [2,0,0,0,0,0|1,0,1]=4 146 B16R2.30336 CNCCc1ccc2nc(C)ccc2c1 Amb33449098 [2,0,0,0,0,0|2,0,0]=4 147 B16R2.30336 CNCCc1cnc2cc(C)ccc2c1 Amb31112261 [2,0,0,0,0,0|2,0,0]=4 148 B16R2.30336 Cc1ccc2cc(CCC=O)ccc2n1 Amb25776233 [2,0,0,0,0,0|1,0,0]=3 149 B16R2.28230 C#CCc1ccc2cc(OC)ccc2c1 Amb33195833 [2,0,0,0,0,0|0,0,2]=4 150 B16R2.28230 CCCc1ccc2cc(OC)ccc2c1 Amb20622001 [2,0,0,0,0,0|0,0,0]=2 151 B16R2.28230 CCOc1ccc2cc(OC)ccc2n1 Amb24086394 [2,0,0,0,0,0|2,0,0]=4 152 B16R2.28230 CNCc1ccc2cc(OC)ccc2c1 Amb1106070 [2,0,0,0,0,0|1,0,0]=3 153 B16R2.28230 CNCc1ccc2cc(OC)ccc2c1 Amb33334648 [2,0,0,0,0,0|1,0,0]=3 154 B16R2.28230 CNCc1ccc2cc(OC)ccc2n1 Amb28524754 [2,0,0,0,0,0|2,0,0]=4 155 B16R2.28230 COc1ccc2cc(CC#N)ccc2c1 Amb17617040 [2,0,0,0,0,0|1,0,1]=4 156 B16R2.28230 COc1ccc2cc(CC=O)ccc2c1 Amb18653267 [2,0,0,0,0,0|0,0,0]=2 157 B16R2.28230 COc1ccc2cc(CCBr)ccc2c1 Amb28289759 [2,0,0,0,0,0|1,0,0]=3 158 B16R2.28230 COc1ccc2cc(CCN)ccc2c1 Amb6249276 [2,0,0,0,0,0|1,0,0]=3 159 B16R2.28230 COc1ccc2cc(CCN)cnc2c1 Amb31112398 [2,0,0,0,0,0|2,0,0]=4 160 B16R2.28230 COc1ccc2cc(CCO)ccc2c1 Amb30593445 [2,0,0,0,0,0|0,0,1]=3 161 B16R2.28230 COc1ccc2cc(CCS)ccc2c1 Amb33195744 [2,0,0,0,0,0|0,1,0]=3 162 B16R2.28230 COc1ccc2cc(CNN)ccc2c1 Amb6245227 [2,0,0,0,0,0|2,0,0]=4 163 B16R2.28230 COc1ccc2cc(CNO)ccc2c1 Amb33448904 [2,0,0,0,0,0|1,0,1]=4 164 B16R2.28230 COc1ccc2cc(CON)ccc2c1 Amb33195868 [2,0,0,0,0,0|2,0,0]=4 165 B16R2.28230 COc1ccc2cc(N=C=O)ccc2c1 Amb33429798 [2,0,0,0,0,0|1,0,1]=4 166 B16R2.28230 [C-]#[N+]Cc1ccc2cc(OC)ccc2c1 Amb33196097 [2,0,0,0,0,0|1,0,1]=4 167 B18R2.59004 CC1=Cc2ccc(CCC(=O)O)cc2NC1=O Amb18542415 [1,1,0,0,0,0|2,0,0]=4 168 B18R2.59004 O=C(O)CCc1ccc2cc(O)c(O)cc2c1 Amb35788526 [1,1,0,0,0,0|1,0,0]=3 169 B18R2.101667 COC(=O)CCc1ccc2cc(Br)ccc2n1 Amb17590836 [1,1,0,0,0,0|2,0,0]=4 170 B18R2.101667 COC(=O)CCc1ccc2cc(Cl)ccc2n1 Amb17583369 [1,1,0,0,0,0|2,0,0]=4 171 B18R2.101667 COC(=O)COc1ccc2cc(Br)ccc2c1 Amb4704830 [1,1,0,0,0,0|2,0,0]=4 172 B18R2.339505 Cc1ccc2cc(CCC(=O)O)cnc2c1C Amb31105595 [1,1,0,0,0,0|2,0,0]=4 173 B18R2.339506 Cc1ccc2cc(C(C)CC(=O)O)ccc2n1 Amb33474962 [1,1,0,0,0,0|2,0,0]=4 174 B18R2.339506 Cc1ccc2cc(C(N)CC(=O)O)ccc2n1 Amb33358469 [1,1,0,0,0,0|2,0,0]=4 175 B18R2.339506 Cc1ccc2cc(C(O)CC(=O)O)ccc2n1 Amb33359341 [1,1,0,0,0,0|2,0,0]=4 176 B18R2.339506 Cc1ccc2cc([C@@H](O)CC(=O)O)ccc2n1 Amb33201017 [1,1,0,0,0,0|2,0,0]=4 177 B18R2.339506 Cc1ccc2cc([C@H](O)CC(=O)O)ccc2n1 Amb33201016 [1,1,0,0,0,0|2,0,0]=4 178 B18R2.339507 Cc1ccc2cc(CC(C)C(=O)O)ccc2n1 Amb32954764 [1,1,0,0,0,0|2,0,0]=4 179 B18R2.339507 Cc1ccc2cc(CC(N)C(=O)O)ccc2n1 Amb33079880 [1,1,0,0,0,0|2,0,0]=4 180 B18R2.339507 Cc1ccc2cc(CC(O)C(=O)O)ccc2n1 Amb33201059 [1,1,0,0,0,0|2,0,0]=4 181 B18R2.342245 Cc1ccc2c(c1)C(=O)C=C(CCC(=O)O)O2 Amb18013121 [1,1,0,0,0,0|2,0,0]=4 182 B18R2.342245 Cc1ccc2cc(CCC(=O)O)cc(C)c2n1 Amb19106149 [1,1,0,0,0,0|2,0,0]=4 183 B18R2.342245 Cc1ccc2cc(CCC(=O)O)nc(C)c2c1 Amb31096685 [1,1,0,0,0,0|2,0,0]=4 184 B18R2.342245 Cc1ccc2cc(CCC(N)=O)cc(F)c2n1 Amb19106448 [1,1,0,0,0,0|2,0,0]=4 185 B18R2.342245 Cc1ccc2nc(CCC(N)=O)cc(C)c2c1 Amb19106465 [1,1,0,0,0,0|2,0,0]=4 186 B18R2.491264 Cc1ccc2c(c1)NC(=O)C(CCC(=O)O)=C2 Amb18003937 [1,1,0,0,0,0|2,0,0]=4 187 B18R2.491264 Cc1ccc2cc(CCC(=O)O)c(Cl)nc2c1 Amb2793452 [1,1,0,0,0,0|2,0,0]=4 188 B18R2.491264 O=C(O)CCC1=Cc2ccc(O)cc2OC1=O Amb33620759 [1,1,0,0,0,0|2,0,0]=4 189 B18R2.528890 Cc1cc(C)c2cc(CCC(=O)O)cnc2c1 Amb31105596 [1,1,0,0,0,0|2,0,0]=4 190 B18R2.528890 Cc1cc(C)c2cc(CCC(N)=O)ccc2n1 Amb18354147 [1,1,0,0,0,0|2,0,0]=4 191 B18R2.528890 Cc1cc(Cl)c2cc(CCC(=O)O)ccc2n1 Amb19106222 [1,1,0,0,0,0|2,0,0]=4 192 B18R2.528890 Cc1cc(Cl)c2cc(CCC(N)=O)ccc2n1 Amb19106539 [1,1,0,0,0,0|2,0,0]=4 193 B18R2.1263092 CC(=O)COc1ccc2nc(C)ccc2c1Br Amb19107685 [1,1,0,0,0,0|2,0,0]=4 194 B18R2.1263092 Cc1ccc2c(c1)C=CN(CCC(=O)O)C2=O Amb18035105 [1,1,0,0,0,0|2,0,0]=4 195 B18R2.1263092 Cc1ccc2c(c1)OC=C(CCC(=O)O)C2=O Amb18529170 [1,1,0,0,0,0|2,0,0]=4 196 B18R2.31807 CNCCc1nc2ccc(OC)cc2cc1C Amb17580924 [1,1,0,0,0,0|2,0,0]=4 197 B18R2.81596 CNCC(=O)c1ccc2cc(OC)ccc2c1 Amb33195889 [1,1,0,0,0,0|1,0,1]=4 198 B18R2.81596 CNCC(O)c1ccc2cc(OC)ccc2c1 Amb33359374 [1,1,0,0,0,0|1,0,0]=3 199 B18R2.81596 COc1ccc2cc(C(C)CCN)ccc2c1 Amb33172287 [1,1,0,0,0,0|1,0,1]=4 200 B18R2.81596 COc1ccc2cc(C(C)CON)ccc2c1 Amb33195865 [1,1,0,0,0,0|2,0,0]=4 201 B18R2.81596 COc1ccc2cc(C(C)N=C=O)ccc2c1 Amb33196172 [1,1,0,0,0,0|1,0,1]=4 202 B18R2.81596 COc1ccc2cc(C(F)CCN)ccc2c1 Amb33195869 [1,1,0,0,0,0|1,0,1]=4 203 B18R2.81596 COc1ccc2cc(C(N)CCO)ccc2c1 Amb32953407 [1,1,0,0,0,0|0,0,2]=4 204 B18R2.81596 COc1ccc2cc(C(O)CC#N)ccc2c1 Amb33171419 [1,1,0,0,0,0|1,0,1]=4 205 B18R2.81596 COc1ccc2cc(C(O)CCN)ccc2c1 Amb32954070 [1,1,0,0,0,0|1,0,1]=4 206 B18R2.81596 COc1ccc2cc([C@@H](N)CCO)ccc2c1 Amb32793451 [1,1,0,0,0,0|0,0,2]=4 207 B18R2.81596 COc1ccc2cc([C@@H](O)CCN)ccc2c1 Amb33195870 [1,1,0,0,0,0|1,0,1]=4 208 B18R2.81596 COc1ccc2cc([C@H](N)CCO)ccc2c1 Amb32793516 [1,1,0,0,0,0|0,0,2]=4 209 B18R2.81596 COc1ccc2cc([C@H](O)CCN)ccc2c1 Amb33196174 [1,1,0,0,0,0|1,0,1]=4 210 B18R2.122271 COc1ccc2cc(CCCC=O)ccc2c1 Amb33195823 [1,1,0,0,0,0|0,0,0]=2 211 B18R2.122271 COc1ccc2cc(CCCCN)ccc2c1 Amb33359803 [1,1,0,0,0,0|0,0,1]=3 212 B18R2.122271 COc1ccc2cc(CCN=C=O)ccc2c1 Amb33195941 [1,1,0,0,0,0|0,0,1]=3 213 B18R2.122271 COc1ccc2cc(CCN=[N+]=[N-])ccc2c1 Amb33195729 [1,1,0,0,0,0|2,0,0]=4 214 B18R2.122271 COc1ccc2cc(OCCCN)ccc2c1 Amb33195745 [1,1,0,0,0,0|1,0,1]=4 215 B18R2.173116 COc1ccc2cc(CC(N)CO)ccc2c1 Amb33196179 [1,1,0,0,0,0|0,0,2]=4 216 B18R2.173116 COc1ccc2cc(CC(O)CN)ccc2c1 Amb33195831 [1,1,0,0,0,0|1,0,1]=4 217 B18R2.19807 COc1ccc2c(c1)cc(C)n2CCC(=O)O Amb18898605 [0,1,0,0,1,0|2,0,0]=4 218 B18R2.109691 COc1cc2ccn(CCC(=O)O)c2cc1Cl Amb18903223 [0,1,0,0,1,0|2,0,0]=4 219 B18R2.858780 COc1ccc2c(CCC(=O)O)cn(C)c2c1 Amb18064309 [0,1,0,0,1,0|2,0,0]=4 220 B18R2.858780 COc1ccc2c(CCC(C)=O)cn(C)c2c1 Amb18897874 [0,1,0,0,1,0|1,0,0]=3 221 B18R2.858780 COc1ccc2c(c1)c(C)cn2CCC(=O)O Amb18898606 [0,1,0,0,1,0|2,0,0]=4 222 B18R2.1932928 COc1cc(C)c2c(ccn2CCC(=O)O)c1 Amb18898613 [0,1,0,0,1,0|2,0,0]=4 223 B18R2.408 COc1cc2ccc(CC(=O)O)nc2cc1Cl Amb17583625 [0,1,0,0,1,0|2,0,0]=4 224 B18R2.408 COc1nc2ccc(CC(=O)O)cc2cc1C Amb17142707 [0,1,0,0,1,0|2,0,0]=4 225 B18R2.408 COc1nc2ccc(CC(=O)O)cc2cc1Cl Amb17084020 [0,1,0,0,1,0|2,0,0]=4 226 B18R2.17929 C=C(C(=O)O)c1ccc2cc(OC)ccc2c1 Amb18659993 [0,1,0,0,1,0|1,0,1]=4 227 B18R2.17929 COc1ccc2cc(C(=O)C(=O)O)ccc2c1 Amb33474146 [0,1,0,0,1,0|1,0,1]=4 228 B18R2.17929 COc1ccc2cc(C(C)C(=O)O)ccc2c1 Amb9703193 [0,1,0,0,1,0|1,0,0]=3 229 B18R2.17929 COc1ccc2cc(C(N)C(=O)O)ccc2c1 Amb6272856 [0,1,0,0,1,0|1,0,0]=3 230 B18R2.17929 COc1ccc2cc(C(O)C(=O)O)ccc2c1 Amb33473765 [0,1,0,0,1,0|1,0,0]=3 231 B18R2.17929 COc1ccc2cc(C(O)C(C)O)ccc2c1 Amb17949733 [0,1,0,0,1,0|0,0,2]=4 232 B18R2.17929 COc1ccc2cc([C@@H](C)C(=O)O)ccc2c1 Amb10069843 [0,1,0,0,1,0|1,0,0]=3 233 B18R2.17929 COc1ccc2cc([C@@H](C)C(=O)[O-])ccc2c1 Amb19133381 [0,1,0,0,1,0|1,0,0]=3 234 B18R2.17929 COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 Amb558644 [0,1,0,0,1,0|1,0,0]=3 235 B18R2.100877 CC(=O)Cc1ccc2cc(N(C)C)ccc2n1 Amb17580740 [0,1,0,0,1,0|2,0,0]=4 236 B18R2.108157 COc1ccc2c(c1)C(=O)C=C(CC(=O)O)N2 Amb18536966 [0,1,0,0,1,0|2,0,0]=4 237 B18R2.108157 COc1ccc2nc(CC(=O)O)cc(C)c2c1 Amb19103970 [0,1,0,0,1,0|2,0,0]=4 238 B18R2.108219 COc1ccc2c(c1)NC(=O)C(CC(=O)O)=C2 Amb18011957 [0,1,0,0,1,0|2,0,0]=4 239 B18R2.108219 COc1ccc2nc(CC(=O)O)c(C)cc2c1 Amb31106056 [0,1,0,0,1,0|2,0,0]=4 240 B18R2.820842 COc1ccc2c(c1)C=CN(CC(=O)O)C2=O Amb18537866 [0,1,0,0,1,0|2,0,0]=4 241 B18R2.859713 COc1ccc2cc(CC(C)(C)N)ccc2c1 Amb33475358 [0,1,0,0,1,0|1,0,1]=4 242 B18R2.859713 COc1ccc2cc(CC(C)(C)O)ccc2c1 Amb33196188 [0,1,0,0,1,0|0,0,2]=4 243 B18R2.859713 COc1ccc2cc(CS(=O)(=O)Cl)ccc2c1 Amb33352126 [0,1,0,0,1,0|2,0,0]=4 244 B18R2.859713 COc1ccc2cc(CS(=O)(=O)F)ccc2c1 Amb33352586 [0,1,0,0,1,0|2,0,0]=4 245 B18R2.859713 COc1ccc2cc(CS(N)(=O)=O)ccc2c1 Amb33052858 [0,1,0,0,1,0|2,0,0]=4 246 B20R2.1645842 COc1ccc2c(c1)C(=O)C=C(CCCC(=O)O)O2 Amb18527016 [0,1,0,0,0,1|2,0,0]=4 247 B20R2.2359433 COc1ccc2cc(C(=O)CCC(=O)O)ccc2c1 Amb32434947 [0,1,0,0,0,1|1,0,0]=3 248 B20R2.2359433 COc1ccc2cc(C(=O)CCN(C)C)ccc2c1 Amb17778152 [0,1,0,0,0,1|2,0,0]=4 249 B20R2.15166299 COc1ccc2c(c1)C=CN(CCCC(=O)O)C2=O Amb18543781 [0,1,0,0,0,1|2,0,0]=4 250 B20R2.2744317 CC(C)Oc1ccc2nc(CCC(=O)O)ccc2c1 Amb17584621 [0,2,0,0,0,0|2,0,0]=4 251 B20R2.2996860 CCOc1ccc2c(c1)C(=O)C=C(CCC(=O)O)O2 Amb18013127 [0,2,0,0,0,0|2,0,0]=4 252 B20R2.2996860 CCOc1ccc2nc(CCC(=O)O)cc(C)c2c1 Amb19106190 [0,2,0,0,0,0|2,0,0]=4 253 B20R2.8703305 CCOc1ccc2c(c1)C=CN(CCC(=O)O)C2=O Amb18537888 [0,2,0,0,0,0|2,0,0]=4 254 B20R2.269784 COc1cc2ccc(CC(C)C(=O)O)nc2cc1Cl Amb17588283 [0,2,0,0,0,0|2,0,0]=4 255 B20R2.269786 COC(=O)CCc1ccc2cc(OC)c(Cl)cc2n1 Amb17588281 [0,2,0,0,0,0|1,0,0]=3 256 B20R2.264137 COC(=O)CCc1ccc2cc(N(C)C)ccc2n1 Amb17584471 [0,2,0,0,0,0|2,0,0]=4 257 B20R2.15160278 COc1ccc2c(c1)NC(C)=C(CCC(=O)O)C2=O Amb18547851 [0,2,0,0,0,0|2,0,0]=4 258 B20R2.15160278 COc1ccc2c(c1)OC(=O)C(CCC(=O)O)=C2C Amb19239648 [0,2,0,0,0,0|2,0,0]=4 259 B20R2.270080 COc1cc(OC)c2nc(CCC(=O)O)ccc2c1 Amb17585077 [0,2,0,0,0,0|2,0,0]=4 260 B20R2.2359448 COC(=O)C[C@H](N)c1ccc2cc(OC)ccc2c1 Amb32792264 [0,2,0,0,0,0|0,0,0]=2 261 B20R2.2359448 COC(=O)\C=C(/C)c1ccc2cc(OC)ccc2c1 Amb33472118 [0,2,0,0,0,0|0,0,2]=4 262 B20R2.2359473 COc1ccc2cc(C(F)(F)CC(=O)O)ccc2c1 Amb32811889 [0,2,0,0,0,0|1,0,0]=3 263 B20R2.1917212 COc1ccc2cc(CN(C)C(=O)CCl)ccc2c1 Amb471779 [0,2,0,0,0,0|1,0,0]=3 264 B20R2.5587019 COc1ccc2cc(CC(F)(F)C(=O)O)ccc2c1 Amb32811867 [0,2,0,0,0,0|1,0,0]=3 265 B18R2.4260 COc1ccc(\C=C2/CCC(=O)OC2=O)cc1 Amb18041903 [0,0,1,1,0,0|2,0,0]=4 266 B18R2.18288 COc1ccc2nccc(CCC(=O)O)c2c1 Amb32455051 [0,0,1,1,0,0|2,0,0]=4 267 B18R2.105443 COc1cccc2c(CCC(=O)O)ccnc12 Amb32455057 [0,0,1,1,0,0|2,0,0]=4 268 B18R2.105443 COc1cccc2c(CCC(=O)O)nccc12 Amb18353971 [0,0,1,1,0,0|2,0,0]=4 269 B18R2.105443 COc1cccc2c(CCC(N)=O)nccc12 Amb19106418 [0,0,1,1,0,0|2,0,0]=4 270 B18R2.1492 COc1cccc(\C=C\C2=CCN(C)CC2)c1 Amb24056071 [0,0,1,1,0,0|2,0,0]=4 271 B18R3.28 COc1ccc2c3c(cnc2c1)CCNC3 Amb31096853 [1,0,0,1,0,0|2,0,0]=4 272 B18R3.1464 COc1ccc2cc3c(nc2c1)CNCC3 Amb31096826 [1,0,0,1,0,0|2,0,0]=4 273 B18R3.1464 COc1ccc2nc3c(cc2c1)CNCC3 Amb18866520 [1,0,0,1,0,0|2,0,0]=4 274 B18R3.257986 COc1ccc2cc(C3CC3N)ccc2c1 Amb9677187 [1,0,0,1,0,0|1,0,1]=4 275 B18R3.257986 COc1ccc2cc([C@@H]3C[C@H]3N)ccc2c1 Amb33196147 [1,0,0,1,0,0|1,0,1]=4 276 B18R3.257987 COc1ccc2cc(CC3CO3)ccc2c1 Amb33195839 [1,0,0,1,0,0|1,0,0]=3 277 B18R3.1384535 COc1ccc2cc(C3CCN3)ccc2c1 Amb33359380 [1,0,0,1,0,0|1,0,1]=4 278 B18R3.1384535 COc1ccc2cc(C3CNC3)ccc2c1 Amb33359311 [1,0,0,1,0,0|1,0,0]=3 279 B20R3.1551263 COc1ccc2cc(C3CNC(=O)C3)ccc2c1 Amb33449921 [0,0,0,1,0,1|0,0,0]=2 280 B20R3.1551263 COc1ccc2cc(C3CNC(=O)O3)ccc2c1 Amb32953662 [0,0,0,1,0,1|1,0,0]=3 281 B20R3.1551263 COc1ccc2cc(C3COC(=O)N3)ccc2c1 Amb33474004 [0,0,0,1,0,1|1,0,0]=3 282 B20R3.9079400 COc1ccc2cc(C3CC3C(=O)O)ccc2c1 Amb9677098 [0,0,0,1,0,1|1,0,0]=3 283 B20R3.9079400 COc1ccc2cc([C@@H]3C[C@H]3C(=O)O)ccc2c1 Amb33196167 [0,0,0,1,0,1|1,0,0]=3 284 B20R3.2913008 O=C(O)CCc1cnc2cc3c(cc2c1)OCO3 Amb31112996 [0,1,0,1,0,0|2,0,0]=4 285 B20R3.29970115 COc1ccc2cc(CCC3(N)CC3)ccc2c1 Amb33195859 [0,1,0,1,0,0|1,0,1]=4 286 B20R3.29970115 COc1ccc2cc(CCC3(O)CC3)ccc2c1 Amb33195814 [0,1,0,1,0,0|0,0,2]=4 287 B20R3.9101996 COc1ccc2cc3c(nc2c1)NC(C(=O)O)C3 Amb31185563 [0,1,0,1,0,0|2,0,0]=4 288 B20R3.39106555 COc1ccc2cc(C3(N)CC3(C)C)ccc2c1 Amb33195827 [0,1,0,1,0,0|1,0,1]=4 289 B20R3.39106557 COc1ccc2cc(C3(N)CC(O)C3)ccc2c1 Amb33195812 [0,1,0,1,0,0|0,0,2]=4 290 B20R3.29970113 COc1ccc2cc(C3C(N)C3(C)C)ccc2c1 Amb33195828 [0,1,0,1,0,0|1,0,1]=4 291 B20R3.29970113 COc1ccc2cc([C@H]3[C@H](N)C3(C)C)ccc2c1 Amb33195826 [0,1,0,1,0,0|1,0,1]=4 292 B16R1.17188 COC(=O)c1ccc(CCC(C)=O)cc1C Amb33342881 [0,0,1,0,1,0|1,0,1]=4 293 B16R1.17188 COC(=O)c1ccc(CCC(C)=O)cc1Cl Amb33221956 [0,0,1,0,1,0|2,0,0]=4 294 B16R2.2976 CC(=O)CCn1ccc2cc(Br)ccc21 Amb27390926 [1,0,0,0,1,0|2,0,0]=4 295 B16R2.2976 CC(=O)CCn1ccc2cc(F)ccc21 Amb27954398 [1,0,0,0,1,0|2,0,0]=4 296 B16R2.2976 Cc1ccc2c(ccn2CCC(=O)O)c1 Amb16187224 [1,0,0,0,1,0|2,0,0]=4 297 B16R2.3892 CC(=O)CCc1ccc2nc(C)oc2c1 Amb18785914 [1,0,0,0,1,0|2,0,0]=4 298 B16R2.3892 CC(=O)CCc1ccc2oc(C)nc2c1 Amb18894963 [1,0,0,0,1,0|2,0,0]=4 299 B16R2.3892 CC(=O)CCc1ccc2sc(C)nc2c1 Amb18767455 [1,0,0,0,1,0|2,0,0]=4 300 B16R2.3892 Cc1cc2cc(CCC(=O)O)ccc2o1 Amb18784833 [1,0,0,0,1,0|2,0,0]=4 301 B16R2.11988 CC(=O)Cc1ccc2cc(Br)ccc2n1 Amb17585595 [1,0,0,0,1,0|2,0,0]=4 302 B16R2.11988 CC(=O)Cc1ccc2nc(C)ccc2c1 Amb33200637 [1,0,0,0,1,0|1,0,0]=3 303 B16R2.11988 CC(=O)Nc1ccc2cc(Br)ccc2c1 Amb28398372 [1,0,0,0,1,0|2,0,0]=4 304 B16R2.11988 CC(=O)Nc1ccc2nc(C)ccc2c1 Amb574656 [1,0,0,0,1,0|2,0,0]=4 305 B16R2.11988 Cc1ccc2cc(CC(=O)O)ccc2n1 Amb19103947 [1,0,0,0,1,0|2,0,0]=4 306 B16R2.11988 Cc1ccc2cc(CC(=O)O)cnc2c1 Amb31112281 [1,0,0,0,1,0|2,0,0]=4 307 B16R2.11988 O=C(O)Cc1ccc2cc(Br)ccc2c1 Amb22234440 [1,0,0,0,1,0|2,0,0]=4 308 B16R2.11988 O=C(O)Cc1ccc2cc(O)ccc2c1 Amb17615624 [1,0,0,0,1,0|1,0,0]=3 309 B16R2.11988 O=C(O)Cc1ccc2nc(O)ccc2c1 Amb32582505 [1,0,0,0,1,0|2,0,0]=4 310 B16R2.12099 CC(=O)CCc1cc2cc(Cl)ccc2o1 Amb27595161 [1,0,0,0,1,0|2,0,0]=4 311 B16R2.12099 Cc1ccc2cc(CCC(=O)O)oc2c1 Amb7094256 [1,0,0,0,1,0|2,0,0]=4 312 B16R2.12099 Cc1ccc2oc(CCC(=O)O)cc2c1 Amb7094265 [1,0,0,0,1,0|2,0,0]=4 313 B16R2.15331 CC(=O)CCc1ccc2c(c1)ncn2C Amb18894810 [1,0,0,0,1,0|2,0,0]=4 314 B16R2.15331 CC(=O)CCc1ccc2c(ccn2C)c1 Amb33422313 [1,0,0,0,1,0|1,0,0]=3 315 B16R2.15331 Cn1ccc2cc(CCC(=O)O)ccc21 Amb33418630 [1,0,0,0,1,0|2,0,0]=4 316 B16R2.2482 COc1ccc2c(CC(=O)O)coc2c1 Amb1209241 [0,0,0,0,2,0|2,0,0]=4 317 B16R2.2482 COc1ccc2c(CC(=O)O)csc2c1 Amb27667668 [0,0,0,0,2,0|2,0,0]=4 318 B16R2.2482 COc1ccc2c(c1)C=CC2CC(=O)O Amb17471086 [0,0,0,0,2,0|1,0,1]=4 319 B16R2.2482 COc1ccc2c(ccn2CC(=O)O)c1 Amb534085 [0,0,0,0,2,0|2,0,0]=4 320 B16R2.7486 COc1ccc2c(c1)OCC(C(C)=O)=C2 Amb32756593 [0,0,0,0,2,0|1,0,1]=4 321 B16R2.7486 COc1ccc2cc(C(=N)N)ccc2c1 Amb2696326 [0,0,0,0,2,0|2,0,0]=4 322 B16R2.7486 COc1ccc2cc(C(=O)O)ccc2c1 Amb6356897 [0,0,0,0,2,0|1,0,0]=3 323 B16R2.7486 COc1ccc2cc(C(=O)O)ccc2n1 Amb33742574 [0,0,0,0,2,0|2,0,0]=4 324 B16R2.7486 COc1ccc2cc(C(=O)O)cnc2c1 Amb1994824 [0,0,0,0,2,0|2,0,0]=4 325 B16R2.7486 COc1ccc2cc(C(=O)O)ncc2c1 Amb18786258 [0,0,0,0,2,0|2,0,0]=4 326 B16R2.7486 COc1ccc2cc(C(C)=O)ccc2c1 Amb1233023 [0,0,0,0,2,0|0,0,0]=2 327 B16R2.7486 COc1ccc2cc(C(C)Br)ccc2c1 Amb8835375 [0,0,0,0,2,0|1,0,1]=4 328 B16R2.7486 COc1ccc2cc(C(C)Cl)ccc2c1 Amb7766790 [0,0,0,0,2,0|1,0,1]=4 329 B16R2.7486 COc1ccc2cc(C(C)N)ccc2c1 Amb8503270 [0,0,0,0,2,0|1,0,1]=4 330 B16R2.7486 COc1ccc2cc(C(C)N)ccc2c1 Amb9730715 [0,0,0,0,2,0|1,0,1]=4 331 B16R2.7486 COc1ccc2cc(C(C)O)ccc2c1 Amb9748293 [0,0,0,0,2,0|0,0,2]=4 332 B16R2.7486 COc1ccc2cc(C(C)S)ccc2c1 Amb7784680 [0,0,0,0,2,0|0,1,1]=4 333 B16R2.7486 COc1ccc2cc(C(N)=S)ccc2c1 Amb1117278 [0,0,0,0,2,0|1,1,0]=4 334 B16R2.7486 COc1ccc2cc([C@@H](C)N)ccc2c1 Amb22747713 [0,0,0,0,2,0|1,0,1]=4 335 B16R2.7486 COc1ccc2cc([C@@H](C)O)ccc2c1 Amb33079288 [0,0,0,0,2,0|0,0,2]=4 336 B16R2.7486 COc1ccc2cc([C@H](C)N)ccc2c1 Amb33359335 [0,0,0,0,2,0|1,0,1]=4 337 B16R2.7486 COc1ccc2cc([C@H](C)O)ccc2c1 Amb33450191 [0,0,0,0,2,0|0,0,2]=4 338 B16R2.7486 COc1ccc2nc(C(=O)O)ccc2c1 Amb125518 [0,0,0,0,2,0|2,0,0]=4 339 B16R2.7486 COc1ccc2nc(C(N)=O)ccc2c1 Amb17578952 [0,0,0,0,2,0|2,0,0]=4 340 B16R2.7607 COc1ccc2cc(CC(=O)O)oc2c1 Amb17334016 [0,0,0,0,2,0|2,0,0]=4 341 B16R2.7607 COc1ccc2oc(CC(=O)O)cc2c1 Amb7094285 [0,0,0,0,2,0|2,0,0]=4 342 B18R2.273536 Cc1ccc2cc(CCCC(=O)O)ccc2n1 Amb33429819 [1,0,0,0,0,1|2,0,0]=4 343 B18R2.17886 COc1ccc2ccc(CCC(=O)O)nc2c1 Amb17580966 [0,0,0,0,1,1|2,0,0]=4 344 B18R2.3132 COc1ccc2c(NCC(=O)O)nccc2c1 Amb18344954 [0,0,0,0,1,1|2,0,0]=4 345 B18R2.3132 COc1ccc2c(SCC(=O)O)ccnc2c1 Amb9834117 [0,0,0,0,1,1|2,0,0]=4