0 B16R2.2327 COc1cc(Br)ccc1C2COC(=O)N2 Amb33451124 [0,0,0,0,0,0|2,1,1]=4 1 B16R2.2327 COc1cc(C)ccc1C2COC(=O)N2 Amb33142042 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.2327 COc1cc(Cl)ccc1-c2cc(N)on2 Amb18283613 [0,0,0,0,0,0|3,0,1]=4 3 B16R2.2327 COc1cc(Cl)ccc1-c2csc(N)n2 Amb33262131 [0,0,0,0,0,0|1,1,2]=4 4 B16R2.2327 COc1cc(Cl)ccc1C2CNC(=O)C2 Amb33390477 [0,0,0,0,0,0|4,0,0]=4 5 B16R2.2327 COc1cc(Cl)ccc1C2CNC(=O)O2 Amb33052439 [0,0,0,0,0,0|4,0,0]=4 6 B16R2.2327 COc1cc(Cl)ccc1C2COC(=O)N2 Amb33052434 [0,0,0,0,0,0|2,0,1]=3 7 B16R2.2327 COc1cc(F)ccc1C2COC(=O)N2 Amb33474432 [0,0,0,0,0,0|2,1,1]=4 8 B16R2.2327 COc1nc(Cl)ccc1C2COC(=O)N2 Amb33221194 [0,0,0,0,0,0|3,0,1]=4 9 B15R2.1153 Cc1cc(Br)ccc1C2COC(=O)N2 Amb27967029 [1,0,0,0,0,0|1,1,1]=4 10 B15R2.1153 Cc1cc(Br)ccc1N2CCC(N)=N2 Amb27432320 [1,0,0,0,0,0|2,1,0]=4 11 B15R2.1153 Cc1cc(Cl)ccc1-c2cc(N)on2 Amb24350280 [1,0,0,0,0,0|2,0,1]=4 12 B15R2.1153 Cc1cc(Cl)ccc1-c2csc(N)n2 Amb18867506 [1,0,0,0,0,0|0,1,2]=4 13 B15R2.1153 Cc1cc(Cl)ccc1-c2nc(N)cs2 Amb24754241 [1,0,0,0,0,0|2,0,1]=4 14 B15R2.1153 Cc1cc(Cl)ccc1-c2nc(N)ns2 Amb27191162 [1,0,0,0,0,0|2,0,1]=4 15 B15R2.1153 Cc1cc(Cl)ccc1-c2noc(Cl)n2 Amb27442261 [1,0,0,0,0,0|2,0,1]=4 16 B15R2.1153 Cc1cc(Cl)ccc1-n2ccc(N)n2 Amb24405851 [1,0,0,0,0,0|2,0,1]=4 17 B15R2.1153 Cc1cc(Cl)ccc1-n2cnc(N)n2 Amb27635017 [1,0,0,0,0,0|2,0,1]=4 18 B15R2.1153 Cc1cc(Cl)ccc1-n2ncc(N)n2 Amb27406934 [1,0,0,0,0,0|3,0,0]=4 19 B15R2.1153 Cc1cc(Cl)ccc1C2CCC(=O)N2 Amb27643378 [1,0,0,0,0,0|2,0,1]=4 20 B15R2.1153 Cc1cc(Cl)ccc1C2CN=C(N)N2 Amb28123405 [1,0,0,0,0,0|1,0,1]=3 21 B15R2.1153 Cc1cc(Cl)ccc1C2CNC(=O)C2 Amb27182839 [1,0,0,0,0,0|3,0,0]=4 22 B15R2.1153 Cc1cc(Cl)ccc1C2CNC(=O)O2 Amb33413523 [1,0,0,0,0,0|3,0,0]=4 23 B15R2.1153 Cc1cc(Cl)ccc1C2COC(=O)N2 Amb26991139 [1,0,0,0,0,0|1,0,1]=3 24 B15R2.1153 Cc1cc(Cl)ccc1[C@H]2CCC(=O)N2 Amb27181827 [1,0,0,0,0,0|2,0,1]=4 25 B15R2.1153 Cc1cc(Cl)ccc1[C@H]2CNC(=O)N2 Amb27189020 [1,0,0,0,0,0|2,0,1]=4 26 B15R2.1153 Cc1cc(Cl)ccc1[C@H]2COC(=O)N2 Amb28252919 [1,0,0,0,0,0|1,0,1]=3 27 B15R2.1153 Cc1cc(F)ccc1C2COC(=O)N2 Amb25111802 [1,0,0,0,0,0|1,1,1]=4 28 B15R2.1153 Cc1cc(N)ccc1N2CCC(N)=N2 Amb28066633 [1,0,0,0,0,0|3,0,0]=4 29 B15R2.1153 Cc1cc(O)ccc1C2COC(=O)N2 Amb27646555 [1,0,0,0,0,0|2,0,1]=4 30 B15R2.1153 Cc1ccc(-c2coc(N)n2)c(C)c1 Amb17401197 [1,0,0,0,0,0|1,0,2]=4 31 B15R2.1153 Cc1ccc(-c2noc(N)n2)c(C)c1 Amb24613164 [1,0,0,0,0,0|2,0,1]=4 32 B15R2.1153 Cc1ccc(C2CN=C(N)N2)c(C)c1 Amb27412596 [1,0,0,0,0,0|2,0,1]=4 33 B15R2.1153 Cc1ccc(C2CN=C(N)O2)c(C)c1 Amb27746953 [1,0,0,0,0,0|3,0,0]=4 34 B15R2.1153 Cc1ccc(C2COC(=O)N2)c(C)c1 Amb24411684 [1,0,0,0,0,0|2,0,1]=4 35 B15R2.1153 Cc1ccc(C2COC(N)=N2)c(Br)c1 Amb28078096 [1,0,0,0,0,0|2,0,0]=3 36 B15R2.1153 Cc1ccc(C2COC(N)=N2)c(C)c1 Amb27165055 [1,0,0,0,0,0|1,0,0]=2 37 B15R2.1153 Cc1ccc(C2COC(N)=N2)c(Cl)c1 Amb35730047 [1,0,0,0,0,0|2,0,0]=3 38 B15R2.1153 Cc1ccc([C@@H]2COC(=O)N2)c(C)c1 Amb28079288 [1,0,0,0,0,0|2,0,1]=4 39 B15R2.1153 NC1=NC(c2ccc(Br)cc2Cl)CO1 Amb28183258 [1,0,0,0,0,0|1,1,0]=3 40 B15R2.1153 NC1=NC(c2ccc(Cl)cc2Br)CO1 Amb27796841 [1,0,0,0,0,0|1,0,0]=2 41 B15R2.1153 NC1=NC(c2ccc(F)cc2Br)CO1 Amb27663020 [1,0,0,0,0,0|1,1,0]=3 42 B15R2.1153 NC1=NC(c2ccc(F)cc2Cl)CO1 Amb27651096 [1,0,0,0,0,0|1,1,0]=3 43 B15R2.1153 NC1=NC(c2ccc(O)cc2F)CO1 Amb35696382 [1,0,0,0,0,0|2,0,0]=3 44 B15R2.1153 NC1=NC(c2ncc(Br)cc2Br)CO1 Amb28409263 [1,0,0,0,0,0|2,1,0]=4 45 B15R2.1153 NC1=NCC(c2ccc(Cl)cc2Br)N1 Amb27402795 [1,0,0,0,0,0|2,0,1]=4 46 B15R2.1153 NC1=NCC(c2ccc(Cl)cc2Cl)O1 Amb27641889 [1,0,0,0,0,0|3,0,0]=4 47 B15R2.1153 NC1=NN(c2ccc(Cl)cc2Cl)CC1 Amb27479794 [1,0,0,0,0,0|3,0,0]=4 48 B15R2.1153 NC1=N[C@@H](c2ccc(F)cc2F)CO1 Amb27166491 [1,0,0,0,0,0|1,1,0]=3 49 B15R2.1153 Nc1nc(-c2ccc(Cl)cc2Cl)co1 Amb18279620 [1,0,0,0,0,0|1,0,2]=4 50 B15R2.1153 Nc1nc(-c2ccc(Cl)cc2Cl)no1 Amb25170216 [1,0,0,0,0,0|2,0,1]=4 51 B15R2.1153 O=C1NC(c2ccc(Cl)cc2Br)CO1 Amb25068785 [1,0,0,0,0,0|2,0,1]=4 52 B15R2.1153 O=C1NC(c2ccc(Cl)cc2Cl)CO1 Amb25807867 [1,0,0,0,0,0|2,0,1]=4 53 B15R2.1153 O=C1NC(c2ccc(Cl)cc2F)CO1 Amb27410933 [1,0,0,0,0,0|2,0,1]=4 54 B15R2.2189 CCc1ccccc1-c2cc(N)on2 Amb27239471 [1,0,0,0,0,0|2,0,1]=4 55 B15R2.2189 CCc1ccccc1-c2csc(N)n2 Amb25067802 [1,0,0,0,0,0|0,1,2]=4 56 B15R2.2189 CCc1ccccc1-c2nc(N)ns2 Amb27403937 [1,0,0,0,0,0|2,0,1]=4 57 B15R2.2189 CCc1ccccc1-n2ccc(N)n2 Amb18821420 [1,0,0,0,0,0|2,0,1]=4 58 B15R2.2189 CCc1ccccc1-n2cnc(N)n2 Amb27803191 [1,0,0,0,0,0|2,0,1]=4 59 B15R2.2189 CCc1ccccc1C2CCC(=O)N2 Amb27267875 [1,0,0,0,0,0|2,0,1]=4 60 B15R2.2189 CCc1ccccc1C2CCC(N)C2 Amb27166671 [1,0,0,0,0,0|2,0,1]=4 61 B15R2.2189 CCc1ccccc1C2CNC(=O)C2 Amb26522616 [1,0,0,0,0,0|3,0,0]=4 62 B15R2.2189 CCc1ccccc1C2CNC(=O)O2 Amb27747074 [1,0,0,0,0,0|3,0,0]=4 63 B15R2.2189 CCc1ccccc1C2COC(=O)N2 Amb25310619 [1,0,0,0,0,0|1,0,1]=3 64 B15R2.2189 CCc1ccccc1N2CCC(N)=N2 Amb35742662 [1,0,0,0,0,0|2,0,0]=3 65 B15R2.2189 CCc1ccccc1[C@H]2CCC(=O)N2 Amb28248701 [1,0,0,0,0,0|2,0,1]=4 66 B15R2.2189 COc1ccccc1-c2coc(N)n2 Amb17401392 [1,0,0,0,0,0|1,0,2]=4 67 B15R2.2189 COc1ccccc1-c2noc(N)n2 Amb17235031 [1,0,0,0,0,0|2,0,1]=4 68 B15R2.2189 COc1ccccc1C2CN=C(N)N2 Amb27747374 [1,0,0,0,0,0|2,0,1]=4 69 B15R2.2189 COc1ccccc1C2CN=C(N)O2 Amb27650586 [1,0,0,0,0,0|3,0,0]=4 70 B15R2.2189 COc1ccccc1C2COC(=O)C2 Amb33353523 [1,0,0,0,0,0|3,0,0]=4 71 B15R2.2189 COc1ccccc1C2COC(=O)N2 Amb24411404 [1,0,0,0,0,0|2,0,1]=4 72 B15R2.2189 CSc1ccccc1C2COC(=O)N2 Amb32876708 [1,0,0,0,0,0|2,0,1]=4 73 B15R2.2233 CCc1cc(Cl)ccc1[C@@H]2CCCN2 Amb27224953 [1,0,0,0,0,0|1,0,2]=4 74 B15R2.2233 CCc1cc(Cl)ccc1[C@H]2CCNC2 Amb28198092 [1,0,0,0,0,0|2,0,1]=4 75 B17R2.2516 COc1cc(Cl)ccc1-c2noc(CN)n2 Amb32454373 [0,1,0,0,0,0|2,0,1]=4 76 B15R1.4047 COc1cc(Cl)ccc1C(C)CC(=O)O Amb33263784 [0,0,1,0,0,0|3,0,0]=4 77 B15R1.6192 COc1cc(Cl)ccc1C(CO)N=[N+]=[N-] Amb33052128 [0,0,1,0,0,0|2,0,1]=4 78 B14R1.7233 COc1cc(Cl)ccc1C(C)CON Amb33052191 [1,0,1,0,0,0|2,0,0]=4 79 B14R1.840 CCc1ccccc1C(C)CC(=O)O Amb33171676 [1,0,1,0,0,0|2,0,0]=4 80 B14R1.6048 Cc1cc(Cl)ccc1C(C)CC(=O)O Amb25326221 [1,0,1,0,0,0|2,0,0]=4 81 B14R1.204 CCc1ccccc1C(CO)N=[N+]=[N-] Amb33198984 [1,0,1,0,0,0|1,0,1]=4 82 B14R1.3414 COc1cc(Cl)ccc1C(CN)CO Amb33052438 [1,0,1,0,0,0|1,0,1]=4 83 B14R1.4654 Cc1cc(Cl)ccc1C(CO)N=[N+]=[N-] Amb33260997 [1,0,1,0,0,0|1,0,1]=4 84 B14R1.96 COc1ccccc1CCNC(=N)N Amb18565281 [1,0,1,0,0,0|2,0,0]=4 85 B14R1.4464 Cc1ccc(CCNC(=N)N)c(C)c1 Amb18565025 [1,0,1,0,0,0|2,0,0]=4 86 B14R2.20 Cc1ccc(C2COC(N)=N2)cn1 Amb27451455 [2,0,0,0,0,0|2,0,0]=4 87 B14R2.20 NC1=NC(c2ccc(F)cc2)CO1 Amb27415658 [2,0,0,0,0,0|0,1,0]=3 88 B14R2.20 NC1=NC(c2ccc(O)cc2)CO1 Amb27181018 [2,0,0,0,0,0|1,0,0]=3 89 B14R2.20 NC1=NN(c2ccc(Cl)cc2)CC1 Amb4451089 [2,0,0,0,0,0|2,0,0]=4 90 B14R2.20 Nc1nc(-c2ccc(Cl)cc2)co1 Amb17401988 [2,0,0,0,0,0|0,0,2]=4 91 B14R2.20 Nc1nc(-c2ccc(Cl)cc2)no1 Amb5846618 [2,0,0,0,0,0|1,0,1]=4 92 B14R2.20 O=C1CC(c2ccc(Cl)cc2)CO1 Amb24097675 [2,0,0,0,0,0|2,0,0]=4 93 B14R2.20 O=C1NC(c2ccc(Cl)cc2)CO1 Amb27585382 [2,0,0,0,0,0|1,0,1]=4 94 B14R2.20 O=C1N[C@H](c2ccc(Cl)cc2)CO1 Amb28397440 [2,0,0,0,0,0|1,0,1]=4 95 B14R2.256 Cc1ccccc1-c2coc(N)n2 Amb18279615 [2,0,0,0,0,0|0,0,2]=4 96 B14R2.256 Cc1ccccc1-c2noc(N)n2 Amb17233065 [2,0,0,0,0,0|1,0,1]=4 97 B14R2.256 Cc1ccccc1C2CN=C(N)N2 Amb28381634 [2,0,0,0,0,0|1,0,1]=4 98 B14R2.256 Cc1ccccc1C2COC(=O)C2 Amb33495540 [2,0,0,0,0,0|2,0,0]=4 99 B14R2.256 Cc1ccccc1C2COC(=O)N2 Amb28140244 [2,0,0,0,0,0|1,0,1]=4 100 B14R2.256 Cc1ccccc1C2COC(N)=N2 Amb28248574 [2,0,0,0,0,0|0,0,0]=2 101 B14R2.256 Cc1ccccc1[C@@H]2COC(N)=N2 Amb28292813 [2,0,0,0,0,0|0,0,0]=2 102 B14R2.256 Cc1ccccc1[C@H]2COC(N)=N2 Amb27234824 [2,0,0,0,0,0|0,0,0]=2 103 B14R2.256 Cc1ccncc1C2COC(N)=N2 Amb27967778 [2,0,0,0,0,0|1,0,0]=3 104 B14R2.256 NC1=NC(c2ccccc2F)CO1 Amb28248428 [2,0,0,0,0,0|1,0,0]=3 105 B14R2.739 Cc1cc(Cl)ccc1-c2ncon2 Amb20670341 [2,0,0,0,0,0|1,0,1]=4 106 B16R2.2335 Cc1cc(Cl)ccc1-c2noc(CN)n2 Amb18867390 [1,1,0,0,0,0|1,0,1]=4 107 B16R2.55 CCOc1ccccc1-c2noc(N)n2 Amb17238329 [1,1,0,0,0,0|1,0,1]=4 108 B16R2.55 CCOc1ccccc1C2COC(=O)N2 Amb32953531 [1,1,0,0,0,0|1,0,1]=4 109 B16R2.2838 CC(C)c1ccccc1C2COC(=O)N2 Amb33143057 [1,1,0,0,0,0|1,0,1]=4 110 B16R2.12529 CC1(CC(=O)O)CCc2cc(Cl)ccc21 Amb17472061 [0,0,1,1,0,0|2,0,0]=4 111 B16R3.335 N=C1NC2c3ccccc3CCC2O1 Amb27234696 [1,0,0,1,0,0|0,0,2]=4 112 B16R3.335 S=C1NC2c3ccccc3CCC2O1 Amb28364985 [1,0,0,1,0,0|1,0,1]=4 113 B16R3.10764 O=C1NC2(CCc3ccccc32)CO1 Amb27391879 [1,0,0,1,0,0|1,0,1]=4 114 B14R1.1592 COc1cc(Cl)ccc1C(C)C(=O)O Amb33052074 [0,0,1,0,1,0|2,0,0]=4 115 B14R2.258 Cc1cc(C2COC(N)=N2)c(C)s1 Amb27881322 [1,0,0,0,1,0|2,0,0]=4 116 B14R2.97 CCn1cncc1C2COC(N)=N2 Amb27775755 [1,0,0,0,1,0|2,0,0]=4 117 B14R2.148 CCc1ccccc1C2CCC2N Amb27649607 [1,0,0,0,1,0|1,0,1]=4 118 B14R2.116 CCc1cc(Cl)ccc1C2CCN2 Amb27413532 [1,0,0,0,1,0|0,0,2]=4 119 B14R2.116 CCc1cc(Cl)ccc1[C@@H]2CCN2 Amb28064297 [1,0,0,0,1,0|0,0,2]=4 120 B14R2.116 CCc1cc(Cl)ccc1[C@H]2CCN2 Amb28119976 [1,0,0,0,1,0|0,0,2]=4 121 B14R2.3166 COc1cc(Cl)ccc1C2CC2N Amb33052201 [0,0,0,0,2,0|1,0,1]=4 122 B14R2.3166 COc1cc(Cl)ccc1[C@@H]2C[C@H]2N Amb33052199 [0,0,0,0,2,0|1,0,1]=4