0 B17R1.14436 Cc1cccc(CCNC(=O)CCC(=O)O)c1 Amb13881936 [0,0,0,0,0,0|1,0,2]=3 1 B17R1.14436 O=C(O)CCC(=O)NCCc1cccc(Cl)c1 Amb6492533 [0,0,0,0,0,0|0,0,2]=2 2 B17R1.14436 O=C(O)CCC(=O)NCCc1cccc(O)c1 Amb5542892 [0,0,0,0,0,0|1,0,2]=3 3 B16R1.18213 NC(=O)CCC(=O)NCCc1ccccc1 Amb17143785 [1,0,0,0,0,0|1,0,2]=4 4 B16R1.18213 O=C(O)CCC(=O)NCCc1ccccc1 Amb1783860 [1,0,0,0,0,0|0,0,2]=3 5 B16R1.18213 O=C(O)CCC(=O)NOCc1ccccc1 Amb27436753 [1,0,0,0,0,0|1,0,2]=4 6 B16R1.18213 O=C(O)CCC(=O)OCCc1ccccc1 Amb6465451 [1,0,0,0,0,0|1,0,2]=4 7 B16R1.18213 O=C(O)CNC(=O)NCCc1ccccc1 Amb1133655 [1,0,0,0,0,0|1,0,1]=3 8 B16R1.18213 O=C(O)\C=C/C(=O)NCCc1ccccc1 Amb3495536 [1,0,0,0,0,0|0,0,0]=1 9 B16R1.18213 O=C(O)\C=C\C(=O)NCCc1ccccc1 Amb6559547 [1,0,0,0,0,0|0,0,0]=1 10 B18R1.10370 O=C(O)CCC(=O)NCCc1cc(Cl)ccc1O Amb5778812 [0,1,0,0,0,0|0,0,2]=3 11 B18R1.17702 Cc1cccc(C(=O)NNC(=O)\C=C\C(=O)O)c1 Amb6409140 [0,1,0,0,0,0|2,0,1]=4 12 B18R1.17702 O=C(O)\C=C\C(=O)NNC(=O)c1cccc(Br)c1 Amb6394767 [0,1,0,0,0,0|1,1,1]=4 13 B18R1.17702 O=C(O)\C=C\C(=O)NNC(=O)c1cccc(Cl)c1 Amb6346445 [0,1,0,0,0,0|1,0,1]=3 14 B18R1.32363 O=C(O)CCC(=O)NCCc1ccc(Cl)c(Cl)c1 Amb5542911 [0,1,0,0,0,0|0,0,2]=3 15 B18R1.39728 COc1cccc(CCNC(=O)CCC(=O)O)c1 Amb5542900 [0,1,0,0,0,0|1,0,2]=4 16 B18R1.39728 COc1cccc(CCNC(=O)\C=C\C(=O)O)c1 Amb32427231 [0,1,0,0,0,0|1,0,0]=2 17 B18R2.269 Clc1ccc(NCCc2cccc(Cl)c2)cc1 Amb22494584 [0,0,0,1,0,0|3,0,0]=4 18 B18R2.269 Fc1ccc(NCCc2cccc(Cl)c2)cc1 Amb22754227 [0,0,0,1,0,0|3,0,0]=4 19 B18R2.3883 Cc1cccc(C2=NNC(=O)C=C2C(=O)O)c1 Amb31118532 [0,0,0,1,0,0|2,0,1]=4 20 B18R2.3883 Nc1cccc(C2CNC(=O)CC2C(=O)O)c1 Amb33099390 [0,0,0,1,0,0|1,0,2]=4 21 B18R2.3883 O=C1C=C(C(=O)O)C(c2cccc(Br)c2)=NN1 Amb31123714 [0,0,0,1,0,0|1,1,1]=4 22 B18R2.3883 O=C1C=C(C(=O)O)C(c2cccc(F)c2)=NN1 Amb31120959 [0,0,0,1,0,0|1,1,1]=4 23 B18R2.4015 Cc1ccc2c(c1)CCN2C(=O)CCC(=O)O Amb28379976 [0,0,0,1,0,0|1,0,2]=4 24 B18R2.4015 O=C(O)CCC(=O)N1CCc2cc(Cl)ccc21 Amb18877993 [0,0,0,1,0,0|0,0,2]=3 25 B18R2.4015 O=C(O)CCC(=O)N1CCc2cc(F)ccc21 Amb2691508 [0,0,0,1,0,0|0,1,2]=4 26 B18R2.59662 Cc1cccc2c1N(C(=O)CCC(=O)O)CC2 Amb24842644 [0,0,0,1,0,0|1,0,2]=4 27 B18R2.59662 O=C(O)CCC(=O)N1CCc2cccc(F)c21 Amb28379979 [0,0,0,1,0,0|0,1,2]=4 28 B18R2.65833 Cc1cc(C(=O)O)n(Cc2cccc(Cl)c2)n1 Amb18072845 [0,0,0,1,0,0|2,0,1]=4 29 B16R1.11227 Cc1cccc(CNC(=O)NCC(=O)O)c1 Amb1133538 [0,0,0,0,1,0|2,0,1]=4 30 B16R1.11227 O=C(O)CCC(=O)NCc1cccc(Br)c1 Amb1840074 [0,0,0,0,1,0|0,1,2]=4 31 B16R1.11227 O=C(O)CCC(=O)NCc1cccc(O)c1 Amb5542833 [0,0,0,0,1,0|1,0,2]=4 32 B16R1.11227 O=C(O)CNC(=O)COc1cccc(Cl)c1 Amb3113142 [0,0,0,0,1,0|2,0,1]=4 33 B18R1.17766 Cc1cccc(OCCNC(=O)CCC(=O)O)c1 Amb5543516 [0,0,0,0,0,1|1,0,2]=4 34 B18R1.17766 O=C(O)CNC(=O)CCCSc1cccc(Cl)c1 Amb17148868 [0,0,0,0,0,1|2,0,1]=4 35 B15R1.504 O=C(O)\C=C\C=N\OCc1ccccc1 Amb27268575 [2,0,0,0,0,0|1,0,1]=4 36 B17R1.1143 Cc1ccc(CCNC(=O)CCC(=O)O)cc1 Amb5542894 [1,1,0,0,0,0|0,0,2]=4 37 B17R1.1143 Cc1ccc(CCNC(=O)\C=C\C(=O)O)cc1 Amb32427055 [1,1,0,0,0,0|0,0,0]=2 38 B17R1.1143 O=C(O)CCC(=O)NCCc1ccc(Cl)cc1 Amb1841054 [1,1,0,0,0,0|0,0,2]=4 39 B17R1.1143 O=C(O)CCC(=O)NCCc1ccc(F)cc1 Amb5542896 [1,1,0,0,0,0|0,0,2]=4 40 B17R1.1143 O=C(O)CCC(=O)NCCc1ccc(O)cc1 Amb5542895 [1,1,0,0,0,0|0,0,2]=4 41 B17R1.1143 O=C(O)CNC(=O)NCCc1ccc(F)cc1 Amb9304875 [1,1,0,0,0,0|1,0,1]=4 42 B17R1.5005 CC(Cc1ccccc1)NC(=O)\C=C\C(=O)O Amb8503519 [1,1,0,0,0,0|0,0,0]=2 43 B17R1.11270 Cc1ccccc1CCNC(=O)CCC(=O)O Amb13881935 [1,1,0,0,0,0|0,0,2]=4 44 B17R1.11270 O=C(O)CCC(=O)NCCc1ccccc1Cl Amb5542902 [1,1,0,0,0,0|0,0,2]=4 45 B17R1.11270 O=C(O)CCC(=O)NCCc1ccccc1F Amb5542897 [1,1,0,0,0,0|0,0,2]=4 46 B17R1.16303 C[C@@H](NC(=O)NCCc1ccccc1)C(=O)O Amb18529304 [1,1,0,0,0,0|1,0,1]=4 47 B17R1.16318 C\C(=C\C(=O)O)C(=O)NCCc1ccccc1 Amb2542695 [1,1,0,0,0,0|0,0,0]=2 48 B17R1.26833 COC(=O)CNC(=O)NCCc1ccccc1 Amb11266224 [1,1,0,0,0,0|1,0,1]=4 49 B17R1.1062 O=C(O)CNC(=O)NCc1ccc(Cl)c(Cl)c1 Amb9203813 [0,1,0,0,1,0|1,0,1]=4 50 B17R1.8189 O=C(O)\C=C\C(=O)NCc1cc(F)cc(F)c1 Amb32427025 [0,1,0,0,1,0|0,1,0]=3 51 B17R1.9099 O=C(O)CNC(=O)CCc1cc(Cl)ccc1O Amb17146042 [0,1,0,0,1,0|1,0,1]=4 52 B17R1.14407 CN(Cc1cccc(Cl)c1)C(=O)\C=C\C(=O)O Amb9442806 [0,1,0,0,1,0|0,0,0]=2 53 B17R1.14407 Cc1cccc(CN(C)C(=O)\C=C\C(=O)O)c1 Amb17157553 [0,1,0,0,1,0|1,0,0]=3 54 B17R1.28454 COc1cccc(CNC(=O)\C=C\C(=O)O)c1 Amb9442726 [0,1,0,0,1,0|1,0,0]=3 55 B19R1.10767 O=C(O)CCC(=O)NCCOc1cc(Cl)ccc1Cl Amb5543495 [0,1,0,0,0,1|0,0,2]=4 56 B17R1.14600 O=C(O)\C=C/C(=O)NCc1ccc(Cl)cc1Cl Amb9808610 [0,0,1,1,0,0|1,0,1]=4 57 B17R2.3462 O=C(O)C\C=C1/CCCc2cc(Cl)ccc21 Amb31126056 [1,0,0,1,0,0|1,0,1]=4 58 B17R2.41855 Nc1cccc(CN2NC(=O)C=CC2=O)c1 Amb18281032 [1,0,0,1,0,0|2,0,0]=4 59 B17R2.150275 Cc1cccc(CCN2C(=O)C=CC2=O)c1 Amb17404408 [1,0,0,1,0,0|1,0,0]=3 60 B17R2.150275 O=C1C=CC(=O)N1CCc2cccc(Cl)c2 Amb17409118 [1,0,0,1,0,0|0,0,0]=2 61 B17R2.150275 O=C1CCC(=O)N1CCc2cccc(Cl)c2 Amb17409758 [1,0,0,1,0,0|0,0,2]=4 62 B17R2.216 Oc1ccc(NCCc2ccccc2)cc1 Amb33548437 [1,0,0,1,0,0|2,0,0]=4 63 B17R2.216 Oc1ccc(NCCc2ccccc2)cc1 Amb9608650 [1,0,0,1,0,0|2,0,0]=4 64 B17R2.877 O=C(O)CCC(=O)N1CCc2ccccc21 Amb6334925 [1,0,0,1,0,0|0,0,2]=4 65 B17R2.877 O=C(O)CNC(=O)N1CCc2ccccc21 Amb825013 [1,0,0,1,0,0|1,0,1]=4 66 B17R2.877 O=C(O)\C=C/C(=O)n1cnc2ccccc21 Amb2794330 [1,0,0,1,0,0|1,0,1]=4 67 B17R2.877 O=C(O)\C=C\C(=O)N1CCc2ccccc21 Amb6342796 [1,0,0,1,0,0|0,0,0]=2 68 B17R2.3350 O=C1C[C@@H](C(=O)O)[C@H](Cc2ccccc2)N1 Amb18168585 [1,0,0,1,0,0|0,0,2]=4 69 B17R2.5365 NC1=CN(CCc2ccccc2)C(=O)C=C1 Amb18030070 [1,0,0,1,0,0|2,0,0]=4 70 B17R2.3370 O=C(O)\C=C1/CCC(c2cccc(Cl)c2)C1 Amb18576136 [0,0,0,1,1,0|2,0,0]=4 71 B17R2.3449 Cc1ccc2c(c1)CCN2C(=O)CC(=O)O Amb31160854 [0,0,0,1,1,0|1,0,1]=4 72 B17R2.3449 O=C(O)CC(=O)N1CCc2cc(Cl)ccc21 Amb31161007 [0,0,0,1,1,0|0,0,1]=3 73 B17R2.3449 O=C(O)CC(=O)N1CCc2cc(F)ccc21 Amb31161015 [0,0,0,1,1,0|0,1,1]=4 74 B17R2.19563 CC1=C(C(=O)O)C(c2cccc(Cl)c2)CO1 Amb32416874 [0,0,0,1,1,0|2,0,0]=4 75 B17R2.19563 O=C(O)C1C(=O)NCC1c2cccc(Br)c2 Amb32673917 [0,0,0,1,1,0|0,1,1]=4 76 B17R2.19563 O=C(O)C1C(=O)NCC1c2cccc(Cl)c2 Amb32673918 [0,0,0,1,1,0|0,0,1]=3 77 B17R2.19563 O=C(O)C1C(=O)NCC1c2cccc(F)c2 Amb21965142 [0,0,0,1,1,0|0,1,1]=4 78 B17R2.37551 Cc1cccc2c1N(C(=O)CC(=O)O)CC2 Amb31160841 [0,0,0,1,1,0|1,0,1]=4 79 B17R2.37551 O=C(O)CC(=O)N1CCc2cccc(Cl)c21 Amb31160999 [0,0,0,1,1,0|0,0,1]=3 80 B17R2.37551 O=C(O)CC(=O)N1CCc2cccc(F)c21 Amb31173026 [0,0,0,1,1,0|0,1,1]=4 81 B17R2.215 Oc1ccc(NCc2cccc(Cl)c2)cc1 Amb9608750 [0,0,0,1,1,0|2,0,0]=4 82 B17R2.3375 O=C1CC(c2cccc(Cl)c2)C(C(=O)O)N1 Amb21965091 [0,0,0,1,1,0|1,0,1]=4 83 B17R2.3375 O=C1C[C@@H](C(=O)O)[C@H](c2cccc(Cl)c2)N1 Amb18157186 [0,0,0,1,1,0|0,0,2]=4 84 B17R2.20678 O=C(O)CN1C(=O)CCc2cc(Cl)ccc21 Amb31126340 [0,0,0,1,1,0|1,0,1]=4 85 B17R2.253453 O=C(O)CN1C(=O)CCc2cccc(Cl)c21 Amb31126342 [0,0,0,1,1,0|1,0,1]=4 86 B19R2.483225 O=C(O)c1cnc(O)n1CCc2cccc(Cl)c2 Amb18884621 [0,0,0,1,0,1|0,0,1]=3 87 B19R2.483605 O=C(O)C1CC1C(=O)NCCc2cccc(Cl)c2 Amb23919172 [0,0,0,1,0,1|0,0,2]=4 88 B19R2.4514 O=C(O)CCC(=O)N1CCCc2cc(Cl)ccc21 Amb18885006 [0,0,0,1,0,1|0,0,2]=4 89 B19R2.48121 O=C(O)CC1C(=O)NCCN1c2cccc(Cl)c2 Amb17040605 [0,0,0,1,0,1|0,0,2]=4 90 B19R2.635781 Nc1cc(Cl)cc2c1N(C(=O)CCC(=O)O)CC2 Amb18232044 [0,1,0,1,0,0|0,0,2]=4 91 B19R2.483262 CC1=C(C(=O)O)N(Cc2cccc(Cl)c2)OC1=O Amb18592936 [0,1,0,1,0,0|2,0,0]=4 92 B19R2.101667 O=C(O)C1CC(=O)N(CCc2cccc(Cl)c2)C1 Amb17362206 [0,1,0,1,0,0|0,0,2]=4 93 B19R2.483994 Cc1cccc(CC2=NC(C(=O)O)=CC(=O)N2)c1 Amb18544172 [0,1,0,1,0,0|1,0,1]=4 94 B15R1.5919 NC(=O)\C=C\C(=O)NCc1ccccc1 Amb1251671 [1,0,0,0,1,0|1,0,0]=3 95 B15R1.5919 O=C(O)CCC(=O)NCc1ccccc1 Amb6335333 [1,0,0,0,1,0|0,0,2]=4 96 B15R1.5919 O=C(O)CNC(=O)CCc1ccccc1 Amb1128265 [1,0,0,0,1,0|1,0,1]=4 97 B15R1.5919 O=C(O)CNC(=O)NCc1ccccc1 Amb460739 [1,0,0,0,1,0|1,0,1]=4 98 B15R1.5919 O=C(O)COC(=O)NCc1ccccc1 Amb27153653 [1,0,0,0,1,0|1,0,1]=4 99 B15R1.5919 O=C(O)\C=C/C(=O)NCc1ccccc1 Amb1255069 [1,0,0,0,1,0|0,0,0]=2 100 B15R1.5919 O=C(O)\C=C\C(=O)NCc1ccccc1 Amb6342389 [1,0,0,0,1,0|0,0,0]=2 101 B15R1.5919 O=C(O)\C=C\C(=O)NCc1cccnc1 Amb33531666 [1,0,0,0,1,0|1,0,0]=3 102 B15R1.5919 O=C(O)\C=C\C(=O)NCc1ccncc1 Amb13995437 [1,0,0,0,1,0|1,0,0]=3 103 B15R1.5919 O=C(O)\C=C\C(=O)NNc1ccccc1 Amb6344432 [1,0,0,0,1,0|1,0,0]=3 104 B15R1.5919 O=C(O)\C=C\C(=O)OCc1ccccc1 Amb27797312 [1,0,0,0,1,0|1,0,0]=3 105 B15R1.5919 O=C(O)\C=N\C(=O)OCc1ccccc1 Amb24117918 [1,0,0,0,1,0|2,0,0]=4 106 B15R1.9084 CC(=O)CC(=O)NCCc1ccccc1 Amb1871453 [1,0,0,0,1,0|1,0,1]=4 107 B15R1.12292 O=C(O)\C=C\C(=O)NCCc1ccco1 Amb535159 [1,0,0,0,1,0|1,0,0]=3 108 B15R1.121 Cc1cccc(CCNC(=O)C(=O)O)c1 Amb17403418 [0,0,0,0,2,0|1,0,0]=3 109 B15R1.121 O=C(O)C(=O)CCCc1cccc(Br)c1 Amb33006695 [0,0,0,0,2,0|1,1,0]=4 110 B15R1.121 O=C(O)C(=O)NCCc1cccc(Br)c1 Amb17420068 [0,0,0,0,2,0|0,1,0]=3 111 B15R1.121 O=C(O)C(=O)NCCc1cccc(Cl)c1 Amb17048357 [0,0,0,0,2,0|0,0,0]=2 112 B15R1.8263 C\C(=C/C(=O)O)COc1cccc(Cl)c1 Amb17247476 [0,0,0,0,2,0|2,0,0]=4 113 B15R1.120 Cc1cccc(NC(=O)\C=C/C(=O)O)c1 Amb2459357 [0,0,0,0,2,0|1,0,0]=3 114 B15R1.120 Cc1cccc(NC(=O)\C=C\C(=O)O)c1 Amb2708248 [0,0,0,0,2,0|1,0,0]=3 115 B15R1.120 Cc1ccnc(NC(=O)\C=C/C(=O)O)c1 Amb35684560 [0,0,0,0,2,0|2,0,0]=4 116 B15R1.120 Cc1ccnc(NC(=O)\C=C\C(=O)O)c1 Amb17735968 [0,0,0,0,2,0|2,0,0]=4 117 B15R1.120 Cc1cncc(NC(=O)\C=C/C(=O)O)c1 Amb27203720 [0,0,0,0,2,0|2,0,0]=4 118 B15R1.120 Nc1cccc(NC(=O)\C=C\C(=O)O)c1 Amb19748652 [0,0,0,0,2,0|1,0,0]=3 119 B15R1.120 O=C(O)CCC(=O)Nc1cccc(Cl)c1 Amb6383705 [0,0,0,0,2,0|0,0,2]=4 120 B15R1.120 O=C(O)CNC(=O)Nc1cccc(Cl)c1 Amb1113877 [0,0,0,0,2,0|1,0,1]=4 121 B15R1.120 O=C(O)COC(=O)Nc1cccc(Cl)c1 Amb30018885 [0,0,0,0,2,0|1,0,1]=4 122 B15R1.120 O=C(O)\C=C/C(=O)Nc1cc(Br)ccn1 Amb27974356 [0,0,0,0,2,0|1,1,0]=4 123 B15R1.120 O=C(O)\C=C/C(=O)Nc1cc(Cl)ccn1 Amb27774713 [0,0,0,0,2,0|1,0,0]=3 124 B15R1.120 O=C(O)\C=C/C(=O)Nc1cccc(Cl)n1 Amb28324087 [0,0,0,0,2,0|1,0,0]=3 125 B15R1.120 O=C(O)\C=C/C(=O)Nc1cccc(F)c1 Amb1269962 [0,0,0,0,2,0|0,1,0]=3 126 B15R1.120 O=C(O)\C=C/C(=O)Nc1cccc(I)c1 Amb2974876 [0,0,0,0,2,0|0,1,0]=3 127 B15R1.120 O=C(O)\C=C/C(=O)Nc1ccnc(Cl)c1 Amb22481080 [0,0,0,0,2,0|1,0,0]=3 128 B15R1.120 O=C(O)\C=C/C(=O)Nc1cncc(Cl)c1 Amb35725866 [0,0,0,0,2,0|1,0,0]=3 129 B15R1.120 O=C(O)\C=C/C(=O)Nc1cncc(F)c1 Amb28321706 [0,0,0,0,2,0|1,1,0]=4 130 B15R1.120 O=C(O)\C=C\C(=O)Nc1cccc(Br)c1 Amb1922182 [0,0,0,0,2,0|0,1,0]=3 131 B15R1.120 O=C(O)\C=C\C(=O)Nc1cccc(Cl)c1 Amb2708247 [0,0,0,0,2,0|0,0,0]=2 132 B15R1.120 O=C(O)\C=C\C(=O)Nc1cccc(F)c1 Amb6572893 [0,0,0,0,2,0|0,1,0]=3 133 B15R1.120 O=C(O)\C=C\C(=O)Nc1cccc(O)c1 Amb1200104 [0,0,0,0,2,0|1,0,0]=3 134 B15R1.120 O=C(O)\C=C\C(=O)Nc1ccnc(Cl)c1 Amb27453274 [0,0,0,0,2,0|1,0,0]=3 135 B15R1.120 O=C(O)\C=C\C(=O)Nc1ccnc(Cl)n1 Amb27426062 [0,0,0,0,2,0|2,0,0]=4 136 B15R1.120 O=C(O)\C=C\C(=O)Nc1cncc(Cl)c1 Amb35706796 [0,0,0,0,2,0|1,0,0]=3 137 B15R1.120 O=C(O)\C=C\C(=O)Nc1nccc(Cl)n1 Amb27264466 [0,0,0,0,2,0|2,0,0]=4 138 B17R1.4992 O=C(O)CNC(=O)NCCCc1ccccc1 Amb17042492 [1,0,0,0,0,1|1,0,1]=4 139 B17R1.16611 O=C(O)CCCC(=O)NCCc1ccccc1 Amb1838357 [1,0,0,0,0,1|0,0,2]=4 140 B17R1.16611 O=C(O)CCNC(=O)NCCc1ccccc1 Amb17042866 [1,0,0,0,0,1|0,0,2]=4 141 B17R1.16611 O=C(O)\C=N\NC(=S)NCCc1ccccc1 Amb19925673 [1,0,0,0,0,1|1,1,0]=4