0 B16R2.258 Cc1[n]c(COc2cccc(Cl)c2)[n]o1 Amb19342625 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.258 Cc1[n]oc(CNc2cccc(Cl)c2)[n]1 Amb18968009 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.258 Cc1cc(ccc1)NCc2c[s]c(N)[n]2 Amb18225813 [0,0,0,0,0,0|1,1,2]=4 3 B16R2.258 Clc1cccc(c1)CCc2csc(n2)N Amb17254503 [0,0,0,0,0,0|1,1,2]=4 4 B16R2.258 Clc1cccc(c1)CCc2noc(c2)N Amb17245902 [0,0,0,0,0,0|3,0,1]=4 5 B16R2.258 Clc1cccc(c1)NCc2scc(n2)C Amb17347940 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.258 Clc1cccc(c1)OCc2noc(c2)N Amb17246728 [0,0,0,0,0,0|3,0,1]=4 7 B16R2.258 Nc1[n]c(CCc2cc(Cl)ccc2)[n][s]1 Amb22395062 [0,0,0,0,0,0|2,1,1]=4 8 B16R2.258 Nc1[n]c(CNc2cccc(Cl)c2)c[s]1 Amb18228786 [0,0,0,0,0,0|0,1,2]=3 9 B16R2.258 Nc1[n]c(CNc2cccc(F)c2)c[s]1 Amb18867308 [0,0,0,0,0,0|0,2,2]=4 10 B16R2.258 Nc1[n]c(CSc2cccc(Cl)c2)c[s]1 Amb18073462 [0,0,0,0,0,0|1,1,2]=4 11 B16R2.258 O=C1CC(CN1)CNc2cc[n]c(Cl)c2 Amb24581397 [0,0,0,0,0,0|4,0,0]=4 12 B16R2.258 O=C1CCC(CNc2cc[n]c(Cl)c2)N1 Amb24375573 [0,0,0,0,0,0|3,0,1]=4 13 B16R2.258 O=C1NNC(CNc2cccc(Cl)c2)=N1 Amb19804636 [0,0,0,0,0,0|3,0,1]=4 14 B15R2.283 CC1CC(CNc2ccccc2)CO1 Amb25166836 [1,0,0,0,0,0|2,0,1]=4 15 B15R2.283 Cc1[n]c(CNc2ccccc2)[n]o1 Amb25307676 [1,0,0,0,0,0|2,0,1]=4 16 B15R2.283 NC1=NC(CCc2c[n]ccc2)CS1 Amb24393487 [1,0,0,0,0,0|2,1,0]=4 17 B15R2.283 NC1=NC(CCc2ccccc2)CO1 Amb25376590 [1,0,0,0,0,0|1,0,0]=2 18 B15R2.283 NC1=NC(CNc2ccccc2)CO1 Amb25804113 [1,0,0,0,0,0|0,0,0]=1 19 B15R2.283 NC1=NCC(COc2ccccc2)O1 Amb24652587 [1,0,0,0,0,0|3,0,0]=4 20 B15R2.283 NC1=NCC(CSc2ccccc2)S1 Amb24348684 [1,0,0,0,0,0|3,0,0]=4 21 B15R2.283 NC1=NCC(O1)CSc2ccccc2 Amb17595588 [1,0,0,0,0,0|3,0,0]=4 22 B15R2.283 NC1=N[C@@H](CNc2ccccc2)CO1 Amb25814903 [1,0,0,0,0,0|0,0,0]=1 23 B15R2.283 NC1=N[C@H](CCc2cc[n]cc2)CS1 Amb25709723 [1,0,0,0,0,0|2,1,0]=4 24 B15R2.283 NC1CC(CC1)CNc2ccccc2 Amb24425639 [1,0,0,0,0,0|2,0,1]=4 25 B15R2.283 Nc1[n]c(CCc2ccccc2)[n]o1 Amb18991331 [1,0,0,0,0,0|2,0,1]=4 26 B15R2.283 Nc1[n]c(CNc2ccccc2)c[s]1 Amb18865210 [1,0,0,0,0,0|0,1,2]=4 27 B15R2.283 Nc1[n]c(COc2ccccc2)[n]o1 Amb18995138 [1,0,0,0,0,0|2,0,1]=4 28 B15R2.283 O=C1CCC(CNc2ccccc2)N1 Amb25102596 [1,0,0,0,0,0|2,0,1]=4 29 B15R2.283 O=C1CC[C@@H](CNc2ccccc2)N1 Amb25292105 [1,0,0,0,0,0|2,0,1]=4 30 B15R2.283 O=C1NC(CCc2ccccc2)CO1 Amb25217512 [1,0,0,0,0,0|2,0,1]=4 31 B15R2.283 O=C1NC(CO1)CNc2cccc[n]2 Amb24690185 [1,0,0,0,0,0|2,0,1]=4 32 B15R2.283 O=C1NCC(CNc2ccccc2)O1 Amb25082861 [1,0,0,0,0,0|3,0,0]=4 33 B15R2.283 O=C1N[C@@H](CCc2ccccc2)CO1 Amb24336441 [1,0,0,0,0,0|2,0,1]=4 34 B15R2.283 O=C1OC(CO1)COc2ccccc2 Amb22446931 [1,0,0,0,0,0|3,0,0]=4 35 B15R2.1117 Cc1cc(ccc1)NCc2coc[n]2 Amb25371423 [1,0,0,0,0,0|1,0,2]=4 36 B15R2.1117 Clc1cc(ccc1)NCC2CSCC2 Amb24405315 [1,0,0,0,0,0|1,1,1]=4 37 B15R2.1117 Clc1cc(ccc1)NCc2[nH]cc[n]2 Amb18979210 [1,0,0,0,0,0|2,0,1]=4 38 B15R2.1117 Clc1cc(ccc1)NCc2[n]c[n]o2 Amb18290401 [1,0,0,0,0,0|2,0,1]=4 39 B15R2.1117 Clc1cc(ccc1)NCc2c[nH]c[n]2 Amb18996332 [1,0,0,0,0,0|1,0,2]=4 40 B15R2.1117 Clc1cc(ccc1)NCc2c[s]c[n]2 Amb18972450 [1,0,0,0,0,0|0,1,2]=4 41 B15R2.1117 Clc1cc(ccc1)OCC2COCC2 Amb25037581 [1,0,0,0,0,0|2,0,1]=4 42 B15R2.1117 Clc1cc(ccc1)OCc2[n]co[n]2 Amb24684758 [1,0,0,0,0,0|2,0,1]=4 43 B15R2.1117 Clc1cccc(NCc2coc[n]2)[n]1 Amb24388398 [1,0,0,0,0,0|1,0,2]=4 44 B15R2.1117 Clc1cccc(c1)NCC2CCCC2 Amb17240490 [1,0,0,0,0,0|2,0,1]=4 45 B15R2.1117 Clc1cccc(c1)NCC2CCCN2 Amb17240797 [1,0,0,0,0,0|1,0,2]=4 46 B15R2.1117 Clc1cccc(c1)NCc2nccs2 Amb17343195 [1,0,0,0,0,0|2,0,1]=4 47 B15R2.1117 Fc1cc(ccc1)NCc2coc[n]2 Amb24661829 [1,0,0,0,0,0|0,1,2]=4 48 B15R2.1117 Ic1cc(ccc1)NCc2coc[n]2 Amb25673379 [1,0,0,0,0,0|0,1,2]=4 49 B15R2.1117 Nc1cc(ccc1)NCC2COCC2 Amb18998244 [1,0,0,0,0,0|2,0,1]=4 50 B15R2.1117 Nc1cc(ccc1)NCc2[n]co[n]2 Amb25275990 [1,0,0,0,0,0|2,0,1]=4 51 B17R2.2522 NCc1onc(n1)COc2cccc(c2)Cl Amb17105049 [0,1,0,0,0,0|2,0,1]=4 52 B17R2.5294 O=C1OCC(N1)C(=O)Nc2cccc(c2)Cl Amb16951706 [0,1,0,0,0,0|1,0,2]=4 53 B17R2.18656 Cc1ccc(Cl)cc1NCc2c[s]c(N)[n]2 Amb18229878 [0,1,0,0,0,0|0,1,2]=4 54 B17R2.18656 Nc1[n]c(CNc2cc(Cl)ccc2Cl)c[s]1 Amb18886849 [0,1,0,0,0,0|0,1,2]=4 55 B17R2.18661 Cc1ccc(cc1Cl)NCc2c[s]c(N)[n]2 Amb18878029 [0,1,0,0,0,0|0,1,2]=4 56 B17R2.18661 Nc1[n]c(CNc2ccc(Cl)c(Cl)c2)c[s]1 Amb18886847 [0,1,0,0,0,0|0,1,2]=4 57 B17R2.18661 Nc1[n]c(CNc2ccc(F)c(Cl)c2)c[s]1 Amb18230039 [0,1,0,0,0,0|0,1,2]=4 58 B17R2.18663 Cc1c(Cl)cccc1NCc2c[s]c(N)[n]2 Amb18878028 [0,1,0,0,0,0|0,1,2]=4 59 B17R2.18663 Nc1[n]c(CNc2cccc(Cl)c2Cl)c[s]1 Amb18886852 [0,1,0,0,0,0|0,1,2]=4 60 B17R2.146458 Nc1[n]c(CNc2cc(Cl)cc(Cl)c2)c[s]1 Amb18886850 [0,1,0,0,0,0|0,1,2]=4 61 B15R1.8263 C\C(\CNc1cccc(Cl)c1)=C\C(O)=O Amb25250494 [0,0,1,0,0,0|2,0,1]=4 62 B15R2.1115 Cc1cc(CC2COC(N)=N2)ccc1 Amb24342877 [0,0,0,0,1,0|1,0,0]=2 63 B15R2.1115 Cc1cc(C[C@H]2COC(N)=N2)ccc1 Amb25077288 [0,0,0,0,1,0|1,0,0]=2 64 B15R2.1115 Cc1cc(Cc2[n]oc(N)[n]2)ccc1 Amb18961699 [0,0,0,0,1,0|2,0,1]=4 65 B15R2.1115 Clc1cc(Cc2[n]oc(Cl)[n]2)ccc1 Amb24731358 [0,0,0,0,1,0|2,0,1]=4 66 B15R2.1115 Clc1cccc(c1)Cc2noc(c2)N Amb17240111 [0,0,0,0,1,0|2,0,1]=4 67 B15R2.1115 Clc1cccc(c1)Cn2ccc(n2)N Amb1945960 [0,0,0,0,1,0|2,0,1]=4 68 B15R2.1115 Clc1cccc(c1)Cn2cnc(n2)N Amb1946000 [0,0,0,0,1,0|2,0,1]=4 69 B15R2.1115 NC1=NC(Cc2cc[n]c(O)c2)CS1 Amb24592656 [0,0,0,0,1,0|2,1,0]=4 70 B15R2.1115 NC1=N[C@@H](Cc2cccc(Cl)c2)CO1 Amb24547023 [0,0,0,0,1,0|0,0,0]=1 71 B15R2.1115 NC1=N[C@@H](Cc2cccc(F)c2)CO1 Amb25250688 [0,0,0,0,1,0|0,1,0]=2 72 B15R2.1115 NC1CC(CC1)Cc2cc(Cl)ccc2 Amb25181174 [0,0,0,0,1,0|2,0,1]=4 73 B15R2.1115 NC=1CCN(Cc2cccc(F)c2)N1 Amb25797791 [0,0,0,0,1,0|2,1,0]=4 74 B15R2.1115 NC=1CCN(Cc2cccc(O)c2)N1 Amb18650873 [0,0,0,0,1,0|3,0,0]=4 75 B15R2.1115 Nc1[n][s]c(Cc2cc(Cl)ccc2)[n]1 Amb18759557 [0,0,0,0,1,0|2,0,1]=4 76 B15R2.1115 Nc1[n]c(Cc2cc(Cl)ccc2)[n]o1 Amb18961689 [0,0,0,0,1,0|1,0,1]=3 77 B15R2.1115 Nc1[n]c(Cc2cc(F)ccc2)[n]o1 Amb18961695 [0,0,0,0,1,0|1,1,1]=4 78 B15R2.1115 Nc1[n]c(Nc2cc(O)ccc2)[n]o1 Amb18651040 [0,0,0,0,1,0|2,0,1]=4 79 B15R2.1115 Nc1[n]oc(Cc2cc(Cl)ccc2)[n]1 Amb18774635 [0,0,0,0,1,0|2,0,1]=4 80 B15R2.1115 Nc1c[s]c(Cc2cc(Cl)ccc2)[n]1 Amb25712356 [0,0,0,0,1,0|2,0,1]=4 81 B15R2.1115 O=C1C=C(CO1)Nc2cccc(Cl)c2 Amb24336752 [0,0,0,0,1,0|2,0,1]=4 82 B15R2.1115 O=C1CC(Cc2cccc(F)c2)CO1 Amb24450058 [0,0,0,0,1,0|2,1,0]=4 83 B15R2.1115 O=C1NCC(Cc2cccc(Cl)c2)O1 Amb25103692 [0,0,0,0,1,0|3,0,0]=4 84 B15R2.1115 Sc1[n]c(Cc2cc(Cl)ccc2)[n]o1 Amb25764841 [0,0,0,0,1,0|2,0,1]=4 85 B14R1.422 NC(=N)SCCCOc1ccccc1 Amb20675993 [1,0,1,0,0,0|1,1,0]=4 86 B14R1.148 CC(=O)NCCNc1cccc(Cl)c1 Amb18270431 [1,0,1,0,0,0|1,0,1]=4 87 B14R1.716 CN\C(\N)=N\CCNc1cc[n]cc1 Amb25059345 [1,0,1,0,0,0|2,0,0]=4 88 B14R1.716 C\N=C(\N)/NCCNc1ccccc1 Amb25318489 [1,0,1,0,0,0|1,0,1]=4 89 B16R1.539 CNC(NC)=NCCCc1cccc(Cl)c1 Amb24222295 [0,1,1,0,0,0|2,0,0]=4 90 B16R2.1973 ClCc1cc(ccc1)NCC2COCC2 Amb25235833 [1,1,0,0,0,0|1,0,1]=4 91 B16R2.2911 OC1CN(C(=O)OC1)c2cccc(Cl)c2 Amb22471336 [0,0,1,1,0,0|2,0,0]=4 92 B16R2.1163 CN\C(\N)=N\[C@@H]1C[C@H]1c2cc(Cl)ccc2 Amb25607557 [0,0,1,1,0,0|2,0,0]=4 93 B16R2.176317 CN\C(\N)=N\C1COc2cccc(Cl)c21 Amb25541869 [0,0,1,1,0,0|2,0,0]=4 94 B16R2.176317 COC(=O)CC1CNc2cccc(Cl)c21 Amb22500203 [0,0,1,1,0,0|2,0,0]=4 95 B16R3.335 NC1=NC2CCc3ccccc3C2O1 Amb24336485 [1,0,0,1,0,0|1,0,0]=3 96 B16R3.335 NC1=N[C@@H]2CCc3ccccc3[C@H]2O1 Amb24655038 [1,0,0,1,0,0|1,0,0]=3 97 B16R3.335 NC=1CC2C(CCc3ccccc32)N1 Amb24428116 [1,0,0,1,0,0|2,0,0]=4 98 B14R1.1025 CNC(=O)CCNc1cc(Cl)ccc1 Amb24335723 [0,0,1,0,1,0|2,0,0]=4 99 B14R1.1025 O\N=C(\CCNc1cccc(c1)Cl)/N Amb1111850 [0,0,1,0,1,0|2,0,0]=4 100 B14R1.5956 CC(CNc1cc(O)ccc1)C(O)=O Amb18095613 [0,0,1,0,1,0|2,0,0]=4 101 B14R1.5956 NC(=O)C(COc1cccc(c1)Cl)C Amb17241551 [0,0,1,0,1,0|1,0,1]=4 102 B14R1.5956 OC(=O)C(CCc1cccc(c1)Cl)C Amb17241242 [0,0,1,0,1,0|2,0,0]=4 103 B14R1.5956 OC(=O)C(O)CNc1cccc(Cl)c1 Amb25140461 [0,0,1,0,1,0|2,0,0]=4 104 B14R1.5978 CC(Cc1cccc(Cl)c1)NC(N)=O Amb24753672 [0,0,1,0,1,0|0,0,2]=4 105 B14R1.5978 CC(Cc1cccc(c1)Cl)CC(=O)O Amb17241247 [0,0,1,0,1,0|2,0,0]=4 106 B14R1.5978 CC(Nc1cccc(c1)Cl)CC(=O)N Amb17241284 [0,0,1,0,1,0|1,0,1]=4 107 B14R2.19 NC1=NC(Cc2cc[n]cc2)CS1 Amb24488817 [1,0,0,0,1,0|1,1,0]=4 108 B14R2.19 NC1=NC(Cc2ccccc2)CO1 Amb23449444 [1,0,0,0,1,0|0,0,0]=2 109 B14R2.19 NC1=N[C@H](Cc2c[n]ccc2)CS1 Amb25670320 [1,0,0,0,1,0|1,1,0]=4 110 B14R2.19 NC1=N[C@H](Cc2cc[n]cc2)CS1 Amb25364144 [1,0,0,0,1,0|1,1,0]=4 111 B14R2.19 NC1=N[C@H](Cc2ccccc2)CS1 Amb25729987 [1,0,0,0,1,0|0,1,0]=3 112 B14R2.19 NC=1NCC(N1)Oc2ccccc2 Amb24396134 [1,0,0,0,1,0|2,0,0]=4 113 B14R2.19 Nc1[n]c(Cc2ccccc2)[n]o1 Amb18961686 [1,0,0,0,1,0|1,0,1]=4 114 B14R2.19 Nc1[n]c(Cc2ccccc2)co1 Amb22499416 [1,0,0,0,1,0|0,0,2]=4 115 B14R2.19 Nc1[n]c(Nc2ccccc2)[n]o1 Amb18647955 [1,0,0,0,1,0|1,0,1]=4 116 B14R2.716 Clc1cc(ccc1)NC2COCC2 Amb25717300 [1,0,0,0,1,0|1,0,1]=4 117 B14R2.4475 Clc1cc(ccc1)SCC2COC2 Amb25163556 [1,0,0,0,1,0|1,0,1]=4 118 B14R2.268 NC1CC1COc2cccc(Cl)c2 Amb24533299 [0,0,0,0,2,0|1,0,1]=4 119 B14R2.270 NC1CCC1Cc2cc(Cl)ccc2 Amb25118105 [0,0,0,0,2,0|1,0,1]=4 120 B14R2.22 Cc1cc(ccc1)C2COC(N)=N2 Amb25280634 [0,0,0,0,2,0|1,0,0]=3 121 B14R2.22 Clc1cccc(c1)c2noc(n2)N Amb17236308 [0,0,0,0,2,0|1,0,1]=4 122 B14R2.22 NC1=NC(CO1)c2cc(Br)c[n]c2 Amb24576432 [0,0,0,0,2,0|1,1,0]=4 123 B14R2.22 NC1=NC(CO1)c2cccc(Br)c2 Amb24618055 [0,0,0,0,2,0|0,1,0]=3 124 B14R2.22 NC1=NC(CO1)c2cccc(Cl)c2 Amb25670116 [0,0,0,0,2,0|0,0,0]=2 125 B14R2.22 NC1=NC(CO1)c2cccc(I)c2 Amb25294970 [0,0,0,0,2,0|0,1,0]=3 126 B14R2.22 NC1=NC(CO1)c2cccc(O)c2 Amb25354397 [0,0,0,0,2,0|1,0,0]=3 127 B14R2.22 NC1=N[C@H](CO1)c2cccc(Cl)c2 Amb24658428 [0,0,0,0,2,0|0,0,0]=2 128 B14R2.22 NC1=N[C@H](CO1)c2cccc(F)c2 Amb25180742 [0,0,0,0,2,0|0,1,0]=3 129 B14R2.22 NC=1CCN(N1)c2cccc(Cl)c2 Amb24105111 [0,0,0,0,2,0|2,0,0]=4 130 B14R2.22 NC=1NC(CN1)c2cccc(Cl)c2 Amb25335231 [0,0,0,0,2,0|1,0,1]=4 131 B14R2.22 NC=1NCC(N1)c2cccc(O)c2 Amb24085156 [0,0,0,0,2,0|2,0,0]=4 132 B14R2.22 Nc1[n]c(co1)-c2cc(Cl)ccc2 Amb18279630 [0,0,0,0,2,0|0,0,2]=4 133 B14R2.22 Nc1cc(ccc1)C2CSC(N)=N2 Amb25785040 [0,0,0,0,2,0|1,1,0]=4