0 B19R2.132323 CCCC(=O)C1=Cc2cccc(OC)c2OC1=O Amb19918332 [0,0,0,0,0,0|1,0,0]=1 1 B19R2.132323 CCOC(=O)C1=Cc2cccc(OC)c2OC1=O Amb19520930 [0,0,0,0,0,0|0,0,0]=0 2 B18R2.8199 CCOC(=O)c1cnc2c(OC)cccc2c1 Amb1086526 [1,0,0,0,0,0|1,0,0]=2 3 B18R2.82072 CCOC(=O)c1cc2cccc(Br)c2nc1C Amb20239567 [1,0,0,0,0,0|3,0,0]=4 4 B18R2.82072 CCOC(=O)c1cc2cccc(C)c2nc1C Amb1994371 [1,0,0,0,0,0|2,0,0]=3 5 B18R2.82072 CCOC(=O)c1cc2cccc(F)c2nc1C Amb20239565 [1,0,0,0,0,0|3,0,0]=4 6 B18R2.2006251 CCc1cccc2cc(C(=O)OC)c(Cl)nc12 Amb33097185 [1,0,0,0,0,0|3,0,0]=4 7 B18R2.2006251 COC(=O)C1=Cc2cccc(OC)c2OC1=O Amb19540919 [1,0,0,0,0,0|0,0,0]=1 8 B18R2.2006251 COC(=O)c1cc2cccc(OC)c2cc1O Amb9753246 [1,0,0,0,0,0|1,0,1]=3 9 B18R2.2006251 COC(=O)c1cc2cccc(OC)c2nc1Cl Amb33097164 [1,0,0,0,0,0|2,0,0]=3 10 B18R2.2006251 COc1cccc2c1OC(=O)C(C(=O)CBr)=C2 Amb19513897 [1,0,0,0,0,0|1,0,0]=2 11 B20R2.318997 C#CCOC(=O)C1=Cc2cccc(OC)c2OC1=O Amb32416684 [0,1,0,0,0,0|0,0,1]=2 12 B20R2.318997 CCCOC(=O)C1=Cc2cccc(OC)c2OC1=O Amb18010425 [0,1,0,0,0,0|0,0,0]=1 13 B20R2.318997 COc1cccc2c1OC(=O)C(C(=O)NCCO)=C2 Amb19534637 [0,1,0,0,0,0|1,0,0]=2 14 B20R2.9383536 C=CCc1cccc2c1OC(=O)C(C(=O)OCC)=C2 Amb19519375 [0,1,0,0,0,0|1,0,1]=3 15 B20R2.12461052 CCOC(=O)c1c(C)nc2c(OC)cccc2c1C Amb32674554 [0,1,0,0,0,0|2,0,0]=3 16 B20R2.14616147 COc1cccc2c1OC(=O)C(C(=O)OC(C)C)=C2 Amb19545681 [0,1,0,0,0,0|0,0,0]=1 17 B18R1.29852 CCOC(=O)C(C)C(=O)Nc1ccccc1OC Amb32415560 [0,0,1,0,0,0|1,0,2]=4 18 B20R3.915367 COc1cccc2cc3c(nc12)NCCNC3=O Amb31182876 [0,0,0,1,0,0|3,0,0]=4 19 B18R2.82082 CCOC(=O)c1oc2cccc(OC)c2c1C Amb2612527 [0,0,0,0,1,0|2,0,0]=3 20 B18R2.82082 CCOC(=O)c1sc2cccc(OC)c2c1N Amb18667136 [0,0,0,0,1,0|2,0,0]=3 21 B18R2.82082 CCOC(=O)c1sc2nccc(OC)c2c1N Amb2418320 [0,0,0,0,1,0|3,0,0]=4 22 B17R1.21825 CCOC(=O)CC(=O)Cc1ccccc1OC Amb17252746 [1,0,1,0,0,0|1,0,1]=4 23 B17R1.21825 CCOC(=O)CC(=O)Nc1ccccc1OC Amb1929639 [1,0,1,0,0,0|1,0,1]=4 24 B17R2.325632 CCOC(=O)c1ccc2c(N)cccc2c1 Amb33309449 [2,0,0,0,0,0|2,0,0]=4 25 B17R2.325632 CCOC(=O)c1cnc2c(Br)cccc2c1 Amb22436784 [2,0,0,0,0,0|2,0,0]=4 26 B17R2.325632 CCOC(=O)c1cnc2c(Cl)cccc2c1 Amb22233601 [2,0,0,0,0,0|2,0,0]=4 27 B17R2.325632 CCOC(=O)c1cnc2c(F)cccc2c1 Amb32407009 [2,0,0,0,0,0|2,0,0]=4 28 B17R2.325632 CCOC(=O)c1cnc2c(N)cccc2c1 Amb22899305 [2,0,0,0,0,0|2,0,0]=4 29 B17R2.325632 CCOC(=O)c1cnc2c(O)cccc2c1 Amb22899532 [2,0,0,0,0,0|1,0,0]=3 30 B17R2.50008 CCOC(=O)C1=Cc2ccccc2NC1=O Amb20027958 [2,0,0,0,0,0|1,0,0]=3 31 B17R2.50008 CCOC(=O)C1=Cc2ccccc2OC1=O Amb19665021 [2,0,0,0,0,0|0,0,0]=2 32 B17R2.50008 CCOC(=O)C1=Cc2ccccc2OC1=S Amb21948588 [2,0,0,0,0,0|0,1,0]=3 33 B17R2.50008 CCOC(=O)C1=Cc2cccnc2NC1=O Amb18023997 [2,0,0,0,0,0|2,0,0]=4 34 B17R2.50008 CCOC(=O)C1=Cc2cnccc2NC1=O Amb32418302 [2,0,0,0,0,0|2,0,0]=4 35 B17R2.50008 CCOC(=O)C1=Nc2ccccc2NC1=O Amb19667291 [2,0,0,0,0,0|2,0,0]=4 36 B17R2.50008 CCOC(=O)c1cc2ccccc2cc1I Amb9677289 [2,0,0,0,0,0|2,0,0]=4 37 B17R2.50008 CCOC(=O)c1cc2ccccc2cc1N Amb7762507 [2,0,0,0,0,0|2,0,0]=4 38 B17R2.50008 CCOC(=O)c1cc2ccccc2cc1O Amb1205552 [2,0,0,0,0,0|1,0,1]=4 39 B17R2.50008 CCOC(=O)c1cc2ccccc2nc1C Amb1799203 [2,0,0,0,0,0|2,0,0]=4 40 B17R2.50008 CCOC(=O)c1cc2ccccc2nc1Cl Amb8630441 [2,0,0,0,0,0|2,0,0]=4 41 B17R2.50008 CCOC(=O)c1cc2ccccc2nc1N Amb1084711 [2,0,0,0,0,0|2,0,0]=4 42 B17R2.58395 COC(=O)c1cc2cccc(C)c2nc1C Amb24120100 [2,0,0,0,0,0|2,0,0]=4 43 B17R2.58395 COC(=O)c1cc2cccc(C)c2nc1Cl Amb23456018 [2,0,0,0,0,0|2,0,0]=4 44 B17R2.58395 Cc1cccc2cc(C(=O)CN)c(=O)oc12 Amb7094319 [2,0,0,0,0,0|1,0,0]=3 45 B17R2.392577 CCc1cccc2c1NC(=O)C(C(=O)O)=C2 Amb18014614 [2,0,0,0,0,0|2,0,0]=4 46 B17R2.392577 CCc1cccc2c1NC(=O)C(C(C)=O)=C2 Amb18528784 [2,0,0,0,0,0|2,0,0]=4 47 B17R2.392577 COc1cccc2c1NC(=O)C(C(=O)O)=C2 Amb18014610 [2,0,0,0,0,0|1,0,0]=3 48 B17R2.392577 COc1cccc2c1OC(=N)C(C(N)=O)=C2 Amb19747428 [2,0,0,0,0,0|2,0,0]=4 49 B17R2.392577 COc1cccc2c1OC(=O)C(C(=O)Cl)=C2 Amb19650678 [2,0,0,0,0,0|1,0,0]=3 50 B17R2.392577 COc1cccc2c1OC(=O)C(C(=O)O)=C2 Amb19522206 [2,0,0,0,0,0|0,0,0]=2 51 B17R2.392577 COc1cccc2c1OC(=O)C(C(C)=O)=C2 Amb18526876 [2,0,0,0,0,0|0,0,0]=2 52 B17R2.392577 COc1cccc2c1OC(=O)C(C(N)=O)=C2 Amb19953494 [2,0,0,0,0,0|1,0,0]=3 53 B17R2.392577 COc1cccc2cc(C(=O)O)c(C)nc12 Amb9701291 [2,0,0,0,0,0|2,0,0]=4 54 B17R2.392577 COc1cccc2cc(C(=O)O)c(Cl)nc12 Amb5745276 [2,0,0,0,0,0|2,0,0]=4 55 B19R2.80971 CCOC(=O)c1ccc2c(OCC)ccnc2c1 Amb22899573 [1,1,0,0,0,0|2,0,0]=4 56 B19R2.1147187 CCOC(=O)C1=CC(=O)c2c(OC)cccc2O1 Amb31291347 [1,1,0,0,0,0|2,0,0]=4 57 B19R2.1167765 CCCC(=O)C1=CNc2c(OC)cccc2C1=O Amb32418711 [1,1,0,0,0,0|2,0,0]=4 58 B19R2.1167765 CCOC(=O)C1=CNc2c(CC)cccc2C1=O Amb17988229 [1,1,0,0,0,0|2,0,0]=4 59 B19R2.1167765 CCOC(=O)C1=CNc2c(CC)cccc2C1=S Amb23442451 [1,1,0,0,0,0|2,0,0]=4 60 B19R2.1167765 CCOC(=O)C1=CNc2c(OC)cccc2C1=O Amb17988232 [1,1,0,0,0,0|1,0,0]=3 61 B19R2.1167765 CCOC(=O)C1=CNc2c(OC)cccc2C1=S Amb19803476 [1,1,0,0,0,0|1,0,0]=3 62 B19R2.1167765 CCOC(=O)c1cnc2c(CC)cccc2c1Cl Amb6666208 [1,1,0,0,0,0|2,0,0]=4 63 B19R2.1167765 CCOC(=O)c1cnc2c(OC)cccc2c1Br Amb13884010 [1,1,0,0,0,0|1,0,0]=3 64 B19R2.1167765 CCOC(=O)c1cnc2c(OC)cccc2c1Cl Amb534824 [1,1,0,0,0,0|1,0,0]=3 65 B19R2.1167765 CCOC(=O)c1cnc2c(OC)cccc2c1N Amb1073073 [1,1,0,0,0,0|1,0,0]=3 66 B19R2.1167765 CCOC(=O)c1cnc2c(OC)cccc2c1O Amb1994674 [1,1,0,0,0,0|1,0,0]=3 67 B19R2.1167765 CCOC(=O)c1nnc2c(OC)cccc2c1Cl Amb23559990 [1,1,0,0,0,0|2,0,0]=4 68 B19R2.132089 CCOC(=O)c1cc2ccc(C)c(C)c2nc1C Amb1994287 [1,1,0,0,0,0|2,0,0]=4 69 B19R2.1169302 CCOC(=O)c1cc2c(C)ccc(C)c2nc1C Amb1994349 [1,1,0,0,0,0|2,0,0]=4 70 B19R2.1169302 CCOC(=O)c1cc2c(Cl)ccc(C)c2nc1C Amb1994710 [1,1,0,0,0,0|2,0,0]=4 71 B19R2.1171829 CCOC(=O)C1=C(Cl)c2cccc(C)c2NC1=O Amb32425504 [1,1,0,0,0,0|1,0,0]=3 72 B19R2.1171829 CCOC(=O)C1=C(Cl)c2cccc(Cl)c2NC1=O Amb32425517 [1,1,0,0,0,0|2,0,0]=4 73 B19R2.1171829 CCOC(=O)C1=C(O)c2cccc(C)c2NC1=O Amb32425503 [1,1,0,0,0,0|1,0,0]=3 74 B19R2.1171829 CCOC(=O)C1=C(O)c2cccc(Cl)c2NC1=O Amb32425513 [1,1,0,0,0,0|2,0,0]=4 75 B19R2.6688023 CCCC(=O)C1=Cc2cc(Br)cc(Br)c2OC1=O Amb19665099 [1,1,0,0,0,0|2,0,0]=4 76 B19R2.6688023 CCCC(=O)C1=Cc2cc(Cl)cc(Cl)c2OC1=O Amb19886968 [1,1,0,0,0,0|2,0,0]=4 77 B19R2.6688023 CCOC(=O)C1=Cc2cc(Br)cc(Br)c2NC1=O Amb19894630 [1,1,0,0,0,0|2,0,0]=4 78 B19R2.6688023 CCOC(=O)C1=Cc2cc(Br)cc(Br)c2OC1=O Amb18011992 [1,1,0,0,0,0|1,0,0]=3 79 B19R2.6688023 CCOC(=O)c1cc2cc(Br)cc(C)c2nc1C Amb10241024 [1,1,0,0,0,0|2,0,0]=4 80 B19R2.6688023 CCOC(=O)c1cc2cc(C)cc(C)c2nc1C Amb1994356 [1,1,0,0,0,0|2,0,0]=4 81 B19R2.6688023 CCOC(=O)c1cc2cc(Cl)cc(C)c2nc1C Amb1994754 [1,1,0,0,0,0|2,0,0]=4 82 B19R2.1458418 COC(=O)C1=C(Cl)c2cccc(OC)c2NC1=O Amb33620641 [1,1,0,0,0,0|1,0,0]=3 83 B19R2.1458418 COC(=O)c1c(C)nc2c(OC)cccc2c1C Amb32674555 [1,1,0,0,0,0|2,0,0]=4 84 B19R2.1458418 COC(=O)c1c(Cl)nc2c(OC)cccc2c1Cl Amb33620645 [1,1,0,0,0,0|2,0,0]=4 85 B19R2.1458418 COC(=O)c1c(O)nc2c(OC)cccc2c1O Amb33620819 [1,1,0,0,0,0|1,0,1]=4 86 B19R2.2495538 COC(=O)c1cc2c(C)ccc(OC)c2nc1Cl Amb33097181 [1,1,0,0,0,0|2,0,0]=4 87 B19R2.2495538 COC(=O)c1cc2c(F)ccc(OC)c2nc1Cl Amb33097190 [1,1,0,0,0,0|2,0,0]=4 88 B19R2.2565199 COC(=O)c1cc2cc(Br)cc(OC)c2nc1Cl Amb33097200 [1,1,0,0,0,0|2,0,0]=4 89 B19R2.2565199 COC(=O)c1cc2cc(F)cc(OC)c2nc1Cl Amb33097199 [1,1,0,0,0,0|2,0,0]=4 90 B19R2.1172849 CCOC(=O)c1c(N)sc2c(OC)c(Br)ccc12 Amb1922258 [0,1,0,0,1,0|1,1,0]=4 91 B21R2.27617457 COc1cccc2c1OC(=O)C(C(=O)\C=C\N(C)C)=C2 Amb32416689 [0,2,0,0,0,0|1,0,1]=4 92 B19R2.131998 CCOC(=O)C1=Cc2cc(OC)ccc2OC1=O Amb19520095 [0,0,1,1,0,0|0,0,0]=2 93 B19R2.131998 CCOC(=O)c1cc2cc(OC)ccc2nc1C Amb1036492 [0,0,1,1,0,0|2,0,0]=4 94 B19R2.294209 COc1cccc(C2=C(C(=O)O)C(=O)ON2C)c1 Amb18582128 [0,0,1,1,0,0|1,0,0]=3 95 B19R3.267767 COc1cccc2c3c(ccc12)C(=O)CCC3 Amb17596210 [1,0,0,1,0,0|2,0,0]=4 96 B21R3.47560929 CCOC(=O)C1=C(O)c2cccc3c2N(CC3)C1=O Amb20579462 [0,1,0,1,0,0|2,0,0]=4 97 B17R2.50070 CCCC(=O)c1cc2cccc(CC)c2o1 Amb32991236 [1,0,0,0,1,0|2,0,0]=4 98 B17R2.50070 CCCC(=O)c1cc2cccc(OC)c2o1 Amb32991194 [1,0,0,0,1,0|1,0,0]=3 99 B17R2.50070 CCOC(=O)c1cc2c(OC)cccc2s1 Amb31307909 [1,0,0,0,1,0|1,0,0]=3 100 B17R2.50070 CCOC(=O)c1cc2cccc(OC)c2o1 Amb1833080 [1,0,0,0,1,0|0,0,0]=2 101 B17R2.50070 CCOC(=O)c1cc2cccc(OC)c2s1 Amb30982130 [1,0,0,0,1,0|0,1,0]=3 102 B17R2.50070 CCOC(=O)c1cn2cccc(OC)c2n1 Amb24095596 [1,0,0,0,1,0|2,0,0]=4 103 B17R2.50068 CCOC(=O)c1oc2cccc(O)c2c1C Amb1922260 [1,0,0,0,1,0|2,0,0]=4 104 B17R2.50068 CCOC(=O)c1sc2cccc(C)c2c1Cl Amb2608883 [1,0,0,0,1,0|2,0,0]=4 105 B17R2.50068 CCOC(=O)c1sc2cccc(C)c2c1N Amb22370527 [1,0,0,0,1,0|2,0,0]=4 106 B17R2.326889 CCOC(=O)C1C(=O)Nc2c(C)cccc21 Amb33129589 [1,0,0,0,1,0|1,0,1]=4 107 B17R2.393625 COC(=O)C1Cc2cccc(OC)c2C1=O Amb21858087 [1,0,0,0,1,0|0,0,2]=4 108 B17R2.393625 COC(=O)c1sc2cccc(OC)c2c1N Amb22736262 [1,0,0,0,1,0|2,0,0]=4 109 B19R2.131899 CCOC(=O)C1=Cc2ccc(OC)cc2OC1=O Amb19772845 [0,0,0,0,1,1|0,0,0]=2 110 B19R2.131899 CCOC(=O)c1cc2ccc(OC)cc2nc1C Amb1994821 [0,0,0,0,1,1|2,0,0]=4