0 B20R2.24692 CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1 Amb22168273 [0,0,0,0,0,0|0,0,0]=0 1 B20R2.24692 CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1 Amb611675 [0,0,0,0,0,0|0,0,0]=0 2 B20R2.24692 C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1 Amb22167847 [0,0,0,0,0,0|0,0,0]=0 3 B20R2.24692 C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1 Amb2717724 [0,0,0,0,0,0|0,0,0]=0 4 B19R2.2636 C=C(C(=O)O)c1cccc(Oc2ccccc2)c1 Amb32951295 [1,0,0,0,0,0|1,0,2]=4 5 B19R2.2636 CC(C(=O)O)c1cccc(Oc2ccccc2)c1 Amb8627905 [1,0,0,0,0,0|1,0,0]=2 6 B19R2.2636 CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1 Amb32661598 [1,0,0,0,0,0|1,0,1]=3 7 B19R2.2636 NC(C(=O)O)c1cccc(Oc2ccccc2)c1 Amb6308784 [1,0,0,0,0,0|2,0,0]=3 8 B19R2.2636 NC(C(=O)O)c1cccc(Oc2ccccc2)c1 Amb9725872 [1,0,0,0,0,0|2,0,0]=3 9 B19R2.2636 O=C(O)C(=O)c1cccc(Oc2ccccc2)c1 Amb22460904 [1,0,0,0,0,0|2,0,1]=4 10 B19R2.2636 O=C(O)C(O)c1cccc(Oc2ccccc2)c1 Amb2690245 [1,0,0,0,0,0|2,0,0]=3 11 B19R2.12690 CC(C#N)c1cccc(C(=O)c2ccccc2)c1 Amb8387458 [1,0,0,0,0,0|1,0,1]=3 12 B19R2.13509 CC(=O)Oc1cccc(C(=O)c2ccccc2)c1 Amb6300792 [1,0,0,0,0,0|2,0,0]=3 13 B19R2.13509 O=C(O)Cc1cccc(C(=O)c2ccccc2)c1 Amb10576142 [1,0,0,0,0,0|0,0,0]=1 14 B21R3.18307 CC1C(=O)Nc2ccc(C(O)c3ccccc3)cc21 Amb17491115 [0,0,0,1,0,0|1,0,2]=4 15 B21R3.4268330 CC1C(=O)Nc2c(C(=O)c3ccccc3)cccc21 Amb17596913 [0,0,0,1,0,0|1,0,0]=2 16 B19R2.18053 CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1 Amb17597171 [0,0,0,0,1,0|1,0,0]=2 17 B19R2.18096 CC(C(=O)O)n1cccc1C(=O)c2ccccc2 Amb20528188 [0,0,0,0,1,0|1,0,0]=2 18 B21R2.32849 CC(=O)N(C)c1cccc(NC(=O)c2ccccc2)c1 Amb17622570 [0,0,0,0,0,1|2,0,0]=3 19 B18R2.290 CC(C=O)c1cccc(Oc2ccccc2)c1 Amb24060842 [2,0,0,0,0,0|1,0,0]=3 20 B18R2.312 CC(=O)Cc1cccc(Oc2ccccc2)c1 Amb18544070 [2,0,0,0,0,0|2,0,0]=4 21 B18R2.312 O=C(O)Cc1cccc(Oc2ccccc2)c1 Amb2610608 [2,0,0,0,0,0|1,0,0]=3 22 B18R2.7116 CC(=O)c1cccc(C(=O)c2ccccc2)c1 Amb10071049 [2,0,0,0,0,0|0,0,1]=3 23 B18R2.7116 O=C(Cl)c1cccc(C(=O)c2ccccc2)c1 Amb22167582 [2,0,0,0,0,0|1,0,1]=4 24 B18R2.7116 O=C(O)c1cccc(C(=O)c2ccccc2)c1 Amb3940031 [2,0,0,0,0,0|1,0,1]=4 25 B18R2.7116 O=C(c1ccccc1)c2cccc(S(=O)[O-])c2 Amb32754983 [2,0,0,0,0,0|2,0,0]=4 26 B18R2.7116 O=C(c1ccccc1)c2cccc([N+](=O)[O-])c2 Amb6543425 [2,0,0,0,0,0|2,0,0]=4 27 B18R2.7469 N#CCc1cccc(C(=O)c2ccccc2)c1 Amb16233559 [2,0,0,0,0,0|1,0,1]=4 28 B20R2.10539 CC(C)(C(=O)O)c1cccc(Oc2ccccc2)c1 Amb32951527 [1,1,0,0,0,0|1,0,0]=3 29 B20R2.10539 O=C(O)C(F)(F)c1cccc(Oc2ccccc2)c1 Amb33083079 [1,1,0,0,0,0|2,0,0]=4 30 B20R2.16162 CCC(C)c1cc(C(=O)c2ccccc2)ccc1O Amb33191933 [1,1,0,0,0,0|1,0,1]=4 31 B20R2.16772 CCC(C)c1ccc(O)c(C(=O)c2ccccc2)c1 Amb33191870 [1,1,0,0,0,0|1,0,1]=4 32 B20R2.15272 CC(=O)Nc1ccc(O)c(C(=O)c2ccccc2)c1 Amb17157452 [1,1,0,0,0,0|2,0,0]=4 33 B20R2.15375 CC(=O)Oc1cccc(C(=O)c2ccc(Br)cc2)c1 Amb6300810 [1,1,0,0,0,0|2,0,0]=4 34 B20R2.15375 CC(=O)Oc1cccc(C(=O)c2ccc(C)cc2)c1 Amb6300798 [1,1,0,0,0,0|2,0,0]=4 35 B20R2.15375 CC(=O)Oc1cccc(C(=O)c2ccc(Cl)cc2)c1 Amb6300807 [1,1,0,0,0,0|2,0,0]=4 36 B20R2.15375 CC(=O)Oc1cccc(C(=O)c2ccc(F)cc2)c1 Amb6300804 [1,1,0,0,0,0|2,0,0]=4 37 B20R2.15375 CC(=O)Oc1cccc(C(=O)c2ccc(I)cc2)c1 Amb6300813 [1,1,0,0,0,0|2,0,0]=4 38 B20R2.74462 CC(=O)Oc1cccc(C(=O)c2ccccc2Br)c1 Amb6300808 [1,1,0,0,0,0|2,0,0]=4 39 B20R2.74462 CC(=O)Oc1cccc(C(=O)c2ccccc2C)c1 Amb6300796 [1,1,0,0,0,0|2,0,0]=4 40 B20R2.74462 CC(=O)Oc1cccc(C(=O)c2ccccc2Cl)c1 Amb6300805 [1,1,0,0,0,0|2,0,0]=4 41 B20R2.74462 CC(=O)Oc1cccc(C(=O)c2ccccc2F)c1 Amb6300802 [1,1,0,0,0,0|2,0,0]=4 42 B20R2.153189 CC(=O)Oc1cccc(C(=O)c2cccc(C)c2)c1 Amb6300797 [1,1,0,0,0,0|2,0,0]=4 43 B20R2.153189 CC(=O)Oc1cccc(C(=O)c2cccc(Cl)c2)c1 Amb6300806 [1,1,0,0,0,0|2,0,0]=4 44 B20R2.153189 CC(=O)Oc1cccc(C(=O)c2cccc(I)c2)c1 Amb6300812 [1,1,0,0,0,0|2,0,0]=4 45 B20R2.2720770 NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N Amb16232449 [1,1,0,0,0,0|1,0,0]=3 46 B20R2.2720770 Nc1c(CC(=O)O)cccc1C(=O)c2ccccc2 Amb22490707 [1,1,0,0,0,0|0,0,0]=2 47 B20R2.2720770 Nc1c(CC(=O)[O-])cccc1C(=O)c2ccccc2 Amb15691562 [1,1,0,0,0,0|0,0,1]=3 48 B20R2.2720770 Nc1c(CC(=O)[O-])cccc1C(=O)c2ccccc2 Amb8395229 [1,1,0,0,0,0|0,0,1]=3 49 B22R2.23080 CC(=O)N(C)c1cccc(NC(=O)c2ccc(C)cc2)c1 Amb17624187 [0,1,0,0,0,1|2,0,0]=4 50 B22R2.23080 CC(=O)N(C)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 Amb17626574 [0,1,0,0,0,1|2,0,0]=4 51 B22R2.144733 CC(=O)N(C)c1cccc(NC(=O)c2ccccc2C)c1 Amb17626524 [0,1,0,0,0,1|2,0,0]=4 52 B22R2.304297 CC(=O)N(C)c1cccc(NC(=O)c2cccc(C)c2)c1 Amb17626226 [0,1,0,0,0,1|2,0,0]=4 53 B20R3.12020 CC1C(=O)Nc2ccc(Oc3ccccc3)cc21 Amb8385510 [1,0,0,1,0,0|2,0,0]=4 54 B20R3.2031455 CC(C(=O)O)c1ccc-2c(c1)Cc3ccccc32 Amb28729006 [1,0,0,1,0,0|0,0,1]=3 55 B20R3.12019 Cc1nc2cc(C(=O)c3ccccc3)ccc2o1 Amb31135059 [1,0,0,1,0,0|2,0,0]=4 56 B20R3.12019 O=C1Cc2cc(C(=O)c3ccccn3)ccc2N1 Amb31163406 [1,0,0,1,0,0|2,0,0]=4 57 B20R3.12019 O=C1Cc2ccc(C(=O)c3ccccc3)cc2N1 Amb8393443 [1,0,0,1,0,0|2,0,0]=4 58 B20R3.12019 O=C1Nc2cc(C(=O)c3ccccc3)ccc2O1 Amb31137635 [1,0,0,1,0,0|1,0,0]=3 59 B20R3.12019 O=C1Nc2cc(C(=O)c3ccccn3)ccc2O1 Amb31137998 [1,0,0,1,0,0|2,0,0]=4 60 B20R3.12019 O=C1Nc2cc(C(=O)c3cccnc3)ccc2O1 Amb31137855 [1,0,0,1,0,0|2,0,0]=4 61 B20R3.12019 O=C1Nc2cc(C(=O)c3ccncc3)ccc2O1 Amb31137987 [1,0,0,1,0,0|2,0,0]=4 62 B20R3.12019 O=C1Nc2ccc(C(=O)c3ccccc3)cc2N1 Amb21937334 [1,0,0,1,0,0|2,0,0]=4 63 B20R3.14313 O=C1Cc2cccc(C(=O)c3ccccc3)c2N1 Amb8631446 [1,0,0,1,0,0|1,0,0]=3 64 B20R3.3478490 CC(=O)Nc1cccc2c1-c3ccccc3C2=O Amb4009575 [1,0,0,1,0,0|2,0,0]=4 65 B20R3.3481318 Cn1c2ccccc2c3ccc(CC(=O)O)cc31 Amb2571740 [1,0,0,1,0,0|2,0,0]=4 66 B20R3.12033 CN1C(=O)Oc2ccc(C(=O)c3ccco3)cc21 Amb31138753 [0,0,0,1,1,0|2,0,0]=4 67 B22R3.75501038 CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(C)c2c1 Amb28524761 [0,1,0,1,0,0|2,0,0]=4 68 B18R2.2535 C=C(C(=O)O)c1cccc(-c2ccccc2)c1 Amb31163247 [1,0,0,0,1,0|0,0,2]=4 69 B18R2.2535 NC(C(=O)O)c1cccc(-c2ccccn2)c1 Amb33624315 [1,0,0,0,1,0|2,0,0]=4 70 B18R2.9889 O=C(O)Cc1ccc(C(=O)c2ccccc2)s1 Amb2434579 [1,0,0,0,1,0|1,0,0]=3 71 B18R2.9938 O=C(O)Cn1ccnc1C(=O)c2ccccc2 Amb2540172 [1,0,0,0,1,0|2,0,0]=4 72 B20R2.2706 CC(Cc1cccc(Oc2ccccc2)c1)C(=O)O Amb17605807 [1,0,0,0,0,1|1,0,0]=3 73 B20R2.2706 NC(Cc1cccc(Oc2ccccc2)c1)C(=O)O Amb32651806 [1,0,0,0,0,1|2,0,0]=4 74 B20R2.2706 NC(Cc1cccc(Oc2ccccc2)c1)C(=O)O Amb3792141 [1,0,0,0,0,1|2,0,0]=4 75 B20R2.2706 O=C(O)C(O)Cc1cccc(Oc2ccccc2)c1 Amb33353402 [1,0,0,0,0,1|2,0,0]=4 76 B20R2.4472 NC(CC(=O)O)c1cccc(Oc2ccccc2)c1 Amb9730103 [1,0,0,0,0,1|2,0,0]=4 77 B20R2.4472 N[C@@H](CC(=O)O)c1cccc(Oc2ccccc2)c1 Amb19888527 [1,0,0,0,0,1|2,0,0]=4 78 B20R2.24684 CC(C(=O)O)c1cccc(OCc2ccccc2)c1 Amb2697737 [1,0,0,0,0,1|0,0,1]=3 79 B20R2.24684 NC(C(=O)O)c1cccc(OCc2ccccc2)c1 Amb3941731 [1,0,0,0,0,1|1,0,1]=4 80 B20R2.16520 CNC(C)c1cccc(NC(=O)c2ccccc2)c1 Amb156231 [1,0,0,0,0,1|2,0,0]=4 81 B20R2.16520 C\C(=N/O)c1cccc(NC(=O)c2ccccc2)c1 Amb6258050 [1,0,0,0,0,1|1,0,1]=4 82 B20R2.17761 O=C(O)Cc1cccc(NC(=O)c2ccccc2)c1 Amb17055241 [1,0,0,0,0,1|0,0,0]=2 83 B20R2.17761 O=C(O)Cc1cccc(NC(=O)c2cccnc2)c1 Amb17055265 [1,0,0,0,0,1|1,0,0]=3 84 B20R2.17761 O=C(O)Cc1cccc(NC(=O)c2ccncc2)c1 Amb24002913 [1,0,0,0,0,1|1,0,0]=3