0 B18R1.7490 COc1ccc(OC)c(C(O)CNC(=O)CN)c1 Amb8393688 [0,0,0,0,0,0|0,0,0]=0 1 B18R1.7490 COc1ccc(OC)c(C(O)CNC(=O)CN)c1 Amb9825475 [0,0,0,0,0,0|0,0,0]=0 2 B18R1.7490 COc1ccc(OC)c([C@@H](O)CNC(=O)CN)c1 Amb24106390 [0,0,0,0,0,0|0,0,0]=0 3 B17R1.6695 COC(=O)CCCc1cc(OC)ccc1OC Amb18110200 [1,0,0,0,0,0|3,0,0]=4 4 B17R1.6695 COc1ccc(OC)c(CCNC(=O)CCl)c1 Amb17415201 [1,0,0,0,0,0|1,0,0]=2 5 B17R1.6695 COc1ccc(OC)c(CCNC(=O)CN)c1 Amb18014642 [1,0,0,0,0,0|0,0,0]=1 6 B17R1.6698 CCc1ccc(OC)c(C(O)CCC(=O)O)c1 Amb5559990 [1,0,0,0,0,0|3,0,0]=4 7 B17R1.6698 COc1ccc(OC)c(C(N)CCC(=O)O)c1 Amb6740438 [1,0,0,0,0,0|3,0,0]=4 8 B17R1.6698 COc1ccc(OC)c(C(O)CCN(C)C)c1 Amb17318818 [1,0,0,0,0,0|3,0,0]=4 9 B17R1.6698 COc1ccc(OC)c(\C(C)=N\NC(N)=O)c1 Amb23911640 [1,0,0,0,0,0|2,0,1]=4 10 B19R1.112902 CCC(CO)NCC(O)c1cc(OC)ccc1OC Amb18606318 [0,1,0,0,0,0|1,0,2]=4 11 B19R1.485202 CCC(C)NC(C)C(O)c1cc(OC)ccc1OC Amb18094566 [0,1,0,0,0,0|2,0,1]=4 12 B19R1.485202 COC(=O)CC(N)C(O)c1cc(OC)ccc1OC Amb18109276 [0,1,0,0,0,0|3,0,0]=4 13 B19R1.485514 COc1ccc(OC)c(C(O)CNC(C)(C)CO)c1 Amb18606320 [0,1,0,0,0,0|2,0,1]=4 14 B17R1.6680 COC(=O)CC(O)c1cc(OC)ccc1OC Amb33322290 [0,0,0,0,1,0|2,0,0]=3 15 B17R1.6680 COC(=O)CC(O)c1cc(OC)ncc1OC Amb32728039 [0,0,0,0,1,0|3,0,0]=4 16 B17R1.6680 COC(=O)C[C@@H](O)c1cc(OC)ccc1OC Amb33322324 [0,0,0,0,1,0|2,0,0]=3 17 B17R1.6680 COC(=O)C[C@@H](O)c1cc(OC)ncc1OC Amb32728041 [0,0,0,0,1,0|3,0,0]=4 18 B17R1.6680 COC(=O)C[C@H](N)c1cc(OC)ccc1OC Amb32792224 [0,0,0,0,1,0|3,0,0]=4 19 B17R1.6680 COC(=O)C[C@H](O)c1cc(OC)ccc1OC Amb33322317 [0,0,0,0,1,0|2,0,0]=3 20 B17R1.6680 COC(=O)C[C@H](O)c1cc(OC)ncc1OC Amb32728040 [0,0,0,0,1,0|3,0,0]=4 21 B17R1.6680 COc1ccc(OC)c(C(C)NC(=O)CCl)c1 Amb1675249 [0,0,0,0,1,0|2,0,0]=3 22 B16R1.4324 COc1ccc(Br)cc1CCNC(=O)CCl Amb31176168 [2,0,0,0,0,0|2,0,0]=4 23 B16R1.4324 COc1ccc(C)cc1CCNC(=O)CCl Amb17410502 [2,0,0,0,0,0|1,0,0]=3 24 B16R1.4324 COc1ccc(Cl)cc1CCNC(=O)CCl Amb17331653 [2,0,0,0,0,0|2,0,0]=4 25 B16R1.4324 COc1ccc(F)cc1CCNC(=O)CCl Amb17411480 [2,0,0,0,0,0|2,0,0]=4 26 B16R1.4361 COc1ccc(C)cc1C(=O)CNC(C)=O Amb17341916 [2,0,0,0,0,0|0,0,2]=4 27 B16R1.4361 COc1ccc(C)cc1C(O)CNC(C)=O Amb17342683 [2,0,0,0,0,0|0,0,0]=2 28 B16R1.4361 COc1ccc(Cl)cc1C(O)CNC(C)=O Amb17349598 [2,0,0,0,0,0|1,0,0]=3 29 B16R1.4361 COc1ccc(F)cc1C(O)CNC(C)=O Amb17343752 [2,0,0,0,0,0|1,0,0]=3 30 B16R1.7441 CCC(=O)NCC(O)c1cc(C)ccc1C Amb17342019 [2,0,0,0,0,0|1,0,0]=3 31 B16R1.5681 COc1ccc(OC)c(CCCC(=O)O)c1 Amb3932756 [2,0,0,0,0,0|2,0,0]=4 32 B16R1.5681 COc1ccc(OC)c(\C=N/NC(N)=O)c1 Amb30622472 [2,0,0,0,0,0|1,0,1]=4 33 B18R1.4552 COc1ccc(OC)c(C(O)CN(C)CCO)c1 Amb17550137 [1,1,0,0,0,0|1,0,1]=4 34 B18R1.5182 COc1ccc(OC)c(C(O)CNCCCO)c1 Amb18094555 [1,1,0,0,0,0|1,0,1]=4 35 B18R1.10391 CCCNC(C)C(O)c1cc(OC)ccc1OC Amb18094571 [1,1,0,0,0,0|1,0,1]=4 36 B18R1.10391 COc1ccc(OC)c(C(O)C(C)NCCO)c1 Amb18094567 [1,1,0,0,0,0|1,0,1]=4 37 B18R1.291586 COc1ccc(OC)c(C(O)CNCC(C)O)c1 Amb18606313 [1,1,0,0,0,0|1,0,1]=4 38 B18R1.25375 CCOC(=O)CCCc1cc(OC)ccc1OC Amb18110236 [1,1,0,0,0,0|2,0,0]=4 39 B18R1.76458 COc1ccc(OC)c(C(O)CNC(C)(C)C)c1 Amb17161748 [1,1,0,0,0,0|1,0,1]=4 40 B18R1.292576 COc1ccc(OC)c(C(O)C(C)NC(C)C)c1 Amb2613454 [1,1,0,0,0,0|1,0,1]=4 41 B18R1.292576 COc1ccc(OC)c(C(O)C(N)CC(=O)O)c1 Amb18628483 [1,1,0,0,0,0|2,0,0]=4 42 B18R2.696959 Cc1ccc2c(c1)C(CNC(=O)CN)CCC2 Amb31102833 [1,0,0,1,0,0|2,0,0]=4 43 B18R2.696959 Cc1ccc2c(c1)C(CNC(=O)CN)CCO2 Amb31102847 [1,0,0,1,0,0|1,0,0]=3 44 B18R2.696959 NCC(=O)NCC1CCOc2ccc(F)cc21 Amb31102865 [1,0,0,1,0,0|2,0,0]=4 45 B18R2.1765273 Cc1ccc2c(c1)C(CNC(=O)CN)CN2C Amb31159884 [1,0,0,1,0,0|2,0,0]=4 46 B18R2.3149 CCc1ccc(OC)c(C2CCC(=O)NC2)c1 Amb17408312 [1,0,0,1,0,0|2,0,0]=4 47 B18R2.3149 CCc1ccc(OC)c(C2CNC(=O)CN2)c1 Amb31121218 [1,0,0,1,0,0|1,0,0]=3 48 B18R2.3149 COc1ccc(OC)c(C2CCC(=O)CC2)c1 Amb18574617 [1,0,0,1,0,0|2,0,0]=4 49 B18R2.3149 COc1ccc(OC)c(C2CCC(=O)NC2)c1 Amb17408915 [1,0,0,1,0,0|1,0,0]=3 50 B18R2.3149 COc1ccc(OC)c(C2CNC(=O)CN2)c1 Amb31113983 [1,0,0,1,0,0|0,0,0]=2 51 B18R2.3149 COc1ccc(OC)c(C2CNC(=O)NC2)c1 Amb31111055 [1,0,0,1,0,0|2,0,0]=4 52 B18R2.17864 COc1ccc2c(c1)CC(NC(=O)CN)C=C2 Amb31104782 [1,0,0,1,0,0|1,0,1]=4 53 B18R2.17864 COc1ccc2c(c1)CC(NC(=O)CN)CC2 Amb31104833 [1,0,0,1,0,0|1,0,0]=3 54 B18R2.20466 COc1ccc(OC)c(C2CNC(=O)N2C)c1 Amb31111059 [1,0,0,1,0,0|2,0,0]=4 55 B18R2.2076718 COc1ccc2c(c1)CCN(C(=O)CN)C2C Amb31132369 [1,0,0,1,0,0|1,0,0]=3 56 B18R2.862974 COc1ccc2c(c1)C(C)CN(C(=O)CN)C2 Amb31104410 [1,0,0,1,0,0|1,0,0]=3 57 B18R2.196079 COc1ccc(OC)c(C2(C)CNC(=O)O2)c1 Amb17196076 [1,0,0,1,0,0|2,0,0]=4 58 B18R2.817538 COc1ccc(OC)c2c1C(N)CN2C(C)=O Amb31125939 [1,0,0,1,0,0|1,0,0]=3 59 B18R2.2149810 COc1ccc(OC)c(C2CNC(C)(C)O2)c1 Amb18576263 [1,0,0,1,0,0|1,0,1]=4 60 B18R2.18038 COc1ccc2c(c1)C(C)N(C(=O)CN)CC2 Amb31160585 [0,0,0,1,1,0|2,0,0]=4 61 B18R2.18262 CCc1ccc2c(c1)C(NC(=O)CN)CCO2 Amb31103841 [0,0,0,1,1,0|2,0,0]=4 62 B18R2.18262 COc1ccc2c(c1)C(NC(=O)CN)CCC2 Amb31173714 [0,0,0,1,1,0|2,0,0]=4 63 B18R2.18262 COc1ccc2c(c1)C(NC(=O)CN)CCO2 Amb31103894 [0,0,0,1,1,0|1,0,0]=3 64 B18R2.820547 COc1ccc2c(c1)C(NC(=O)CN)CN2C Amb31173680 [0,0,0,1,1,0|2,0,0]=4 65 B16R1.25064 COC(=O)CC(O)c1cc(C)ccc1OC Amb33197528 [1,0,0,0,1,0|2,0,0]=4 66 B16R1.25064 COC(=O)C[C@@H](O)c1cc(C)ccc1OC Amb33197530 [1,0,0,0,1,0|2,0,0]=4 67 B16R1.25064 COC(=O)C[C@H](O)c1cc(C)ccc1OC Amb33197529 [1,0,0,0,1,0|2,0,0]=4 68 B16R1.25064 COc1ccc(Cl)cc1C(C)NC(=O)CN Amb18900230 [1,0,0,0,1,0|2,0,0]=4 69 B16R1.20156 COC(=O)CCc1cc(OC)ccc1OC Amb8477418 [1,0,0,0,1,0|2,0,0]=4 70 B16R1.20156 COc1ccc(OC)c(CNC(=O)CBr)c1 Amb29848918 [1,0,0,0,1,0|1,0,0]=3 71 B16R1.20156 COc1ccc(OC)c(CNC(=O)CCl)c1 Amb8999949 [1,0,0,0,1,0|1,0,0]=3 72 B16R1.20156 COc1ccc(OC)c(NCC(=O)NN)c1 Amb22330556 [1,0,0,0,1,0|2,0,0]=4 73 B16R1.20230 COC(=O)CC(O)c1cc(OC)ccc1O Amb32874606 [1,0,0,0,1,0|2,0,0]=4 74 B16R1.20230 COC(=O)C[C@@H](O)c1cc(OC)ccc1O Amb32875557 [1,0,0,0,1,0|2,0,0]=4 75 B16R1.20230 COC(=O)C[C@H](O)c1cc(OC)ccc1O Amb32875556 [1,0,0,0,1,0|2,0,0]=4 76 B16R1.20229 COc1cc(C(O)CC(=O)O)c(OC)cn1 Amb33224715 [1,0,0,0,1,0|2,0,0]=4 77 B16R1.20229 COc1cc([C@@H](O)CC(=O)O)c(OC)cn1 Amb32728095 [1,0,0,0,1,0|2,0,0]=4 78 B16R1.20229 COc1cc([C@H](O)CC(=O)O)c(OC)cn1 Amb32728094 [1,0,0,0,1,0|2,0,0]=4 79 B16R1.20229 COc1ccc(OC)c(C(C)CC(=O)O)c1 Amb5738636 [1,0,0,0,1,0|2,0,0]=4 80 B16R1.20229 COc1ccc(OC)c(C(N)CC(=O)O)c1 Amb2697372 [1,0,0,0,1,0|2,0,0]=4 81 B16R1.20229 COc1ccc(OC)c(C(O)CC(=O)O)c1 Amb33079110 [1,0,0,0,1,0|1,0,0]=3 82 B16R1.20229 COc1ccc(OC)c(C(O)C[N+](=O)[O-])c1 Amb6298210 [1,0,0,0,1,0|2,0,0]=4 83 B16R1.20229 COc1ccc(OC)c([C@@H](O)CC(=O)O)c1 Amb33324140 [1,0,0,0,1,0|1,0,0]=3 84 B16R1.20229 COc1ccc(OC)c([C@H](O)CC(=O)O)c1 Amb33324105 [1,0,0,0,1,0|1,0,0]=3 85 B16R1.20148 COC(=O)C(O)c1cc(OC)ccc1OC Amb33448523 [0,0,0,0,2,0|2,0,0]=4 86 B16R1.20148 COc1ccc(OC)c(N(C)C(=O)CN)c1 Amb17060292 [0,0,0,0,2,0|2,0,0]=4