0 B11R1.35 C=C(Cc1ccc[s]1)C(O)=O Amb24558176 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.35 CC(=C)C(N)Cc1cc[s]c1 Amb25068054 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.35 CC(=O)C(C)Cc1c[nH]cc1 Amb18862485 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.35 CC(=O)C(C)Cc1c[s]cc1 Amb18793197 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.35 CC(=O)C(C)Cc1ccc[s]1 Amb18180158 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.35 CC(=O)C(Cc1cccs1)Br Amb17507811 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.35 CC(=O)C(Cc1cccs1)Cl Amb17507765 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.35 CC(=O)C(N)Cc1c[nH]c[n]1 Amb18125568 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.35 CC(=O)C(O)C[n]1c[n]cc1 Amb25730711 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.35 CC(=O)N(C)Cc1[nH]c[n][n]1 Amb24485943 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.35 CC(=O)[C@H](C)Cc1ccco1 Amb25334926 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.35 CC(C(=O)O)Cn1cncn1 Amb2572966 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.35 CC(C(=O)O)Sc1ncn[nH]1 Amb2554752 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.35 CC(C(=O)O)Sc1nnc[nH]1 Amb17073796 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.35 CC(C(=O)O)Sc1nnco1 Amb17138714 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.35 CC(C(=O)O)Sc1nncs1 Amb1133456 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.35 CC(C)C(N)Cc1c[n]c[s]1 Amb18825496 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.35 CC(C[n]1c[n][n]c1)C(O)=O Amb18994450 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.35 CC(C[n]1c[n]c[n]1)C(N)=O Amb25378725 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.35 CC(C[n]1cc[n][n]1)C(O)=O Amb24651343 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.35 CC(C[n]1cccc1)C(O)=O Amb18994454 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.35 CC(Cc1[n]c[nH][n]1)C(O)=O Amb25223996 [0,0,0,0,0,0|2,0,2]=4 22 B11R1.35 CC(Cc1c[nH]c[n]1)C(O)=O Amb25150709 [0,0,0,0,0,0|1,0,2]=3 23 B11R1.35 CC(Cc1c[n][n][s]1)C(O)=O Amb24534156 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.35 CC(Cc1c[n][s][n]1)C(O)=O Amb24544898 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.35 CC(Cc1c[s][n][n]1)C(O)=O Amb24523177 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.35 CC(Cc1c[s]c[n]1)C(O)=O Amb18292876 [0,0,0,0,0,0|2,0,1]=3 27 B11R1.35 CC(Cc1cc[n]o1)C(O)=O Amb25241848 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.35 CC(Cc1cc[s]c1)C(N)=O Amb25027885 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.35 CC(Cc1ccco1)C(C)=O Amb17939894 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.35 CC(N[n]1c[n]c[n]1)C(O)=O Amb25287148 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.35 CC(Nc1[nH][n][n][n]1)C(O)=O Amb25858208 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.35 CC(Nc1[nH]c[n][n]1)C(O)=O Amb22362864 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.35 CC(Nc1[nH]cc[n]1)C(O)=O Amb25088420 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.35 CC(Nc1c[s]c[n]1)C(O)=O Amb25088408 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.35 CC(Nc1cc[s]c1)C(O)=O Amb25783888 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.35 CC(Nc1ccco1)C(O)=O Amb25027900 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.35 CC(Sc1[nH]cc[n]1)C(O)=O Amb25726051 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.35 CN(Cc1[nH]c[n][n]1)C(N)=O Amb24485955 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.35 CN(Cc1ccc[nH]1)C(N)=O Amb25307328 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.35 C[C@@H](Cc1c[nH]c[n]1)C(O)=O Amb25320661 [0,0,0,0,0,0|1,0,2]=3 41 B11R1.35 C[C@H](Nc1[nH][n][n][n]1)C(O)=O Amb25074626 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.35 C[C@H](Nc1c[s]c[n]1)C(O)=O Amb24470165 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.35 C[C@H](Nc1ccsc1)C(O)=O Amb17912732 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.35 NC(=Cc1c[s]c[n]1)C(O)=O Amb25767684 [0,0,0,0,0,0|1,0,3]=4 45 B11R1.35 NC(=O)C(N)Cc1[nH]cc[n]1 Amb25189145 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.35 NC(=O)C(N)Cc1[n]cc[s]1 Amb24533629 [0,0,0,0,0,0|3,0,1]=4 47 B11R1.35 NC(=O)C(N)Cc1c[n][s][n]1 Amb24568650 [0,0,0,0,0,0|2,0,1]=3 48 B11R1.35 NC(=O)C(N)Cc1c[n]c[s]1 Amb24413255 [0,0,0,0,0,0|2,0,0]=2 49 B11R1.35 NC(=O)C(N)Cc1c[s][n][n]1 Amb24431085 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.35 NC(=O)C(N)Cc1c[s]cc1 Amb25092321 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.35 NC(=O)C(N)Cc1ccc[s]1 Amb24487730 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.35 NC(=O)N(O)Cc1ccc[nH]1 Amb25685010 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.35 NC(=O)[C@@H](N)Cc1[nH]cc[n]1 Amb24697794 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.35 NC(=O)[C@@H](N)Cc1c[n]c[nH]1 Amb22801500 [0,0,0,0,0,0|1,0,0]=1 55 B11R1.35 NC(=O)[C@H](N)Cc1c[nH]c[n]1 Amb22886959 [0,0,0,0,0,0|1,0,2]=3 56 B11R1.35 NC(C(=O)N)Cc1c[nH]cn1 Amb17593848 [0,0,0,0,0,0|1,0,2]=3 57 B11R1.35 NC(CC1N=NN=N1)C(O)=O Amb24403144 [0,0,0,0,0,0|2,0,2]=4 58 B11R1.35 NC(CC=1C=NCN1)C(O)=O Amb25061275 [0,0,0,0,0,0|0,0,2]=2 59 B11R1.35 NC(C[n]1[n]cc[n]1)C(O)=O Amb18200241 [0,0,0,0,0,0|3,0,1]=4 60 B11R1.35 NC(C[n]1c[n][n][n]1)C(O)=O Amb25825368 [0,0,0,0,0,0|2,0,1]=3 61 B11R1.35 NC(C[n]1c[n]c[n]1)C(N)=O Amb18294107 [0,0,0,0,0,0|2,0,1]=3 62 B11R1.35 NC(C[n]1c[n]c[n]1)C(O)=O Amb18982288 [0,0,0,0,0,0|1,0,1]=2 63 B11R1.35 NC(C[n]1c[n]cc1)C(N)=O Amb18293875 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.35 NC(C[n]1c[n]cc1)C(O)=O Amb18294042 [0,0,0,0,0,0|2,0,0]=2 65 B11R1.35 NC(C[n]1cc[n][n]1)C(O)=O Amb18200242 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.35 NC(C[n]1ccc[n]1)C(N)=O Amb18984349 [0,0,0,0,0,0|3,0,1]=4 67 B11R1.35 NC(C[n]1ccc[n]1)C(O)=O Amb18982290 [0,0,0,0,0,0|2,0,1]=3 68 B11R1.35 NC(C[n]1cccc1)C(O)=O Amb18200839 [0,0,0,0,0,0|3,0,0]=3 69 B11R1.35 NC(Cc1[nH]cc[n]1)C(O)=O Amb18200494 [0,0,0,0,0,0|2,0,0]=2 70 B11R1.35 NC(Cc1[n]cco1)C(O)=O Amb18200255 [0,0,0,0,0,0|2,0,1]=3 71 B11R1.35 NC(Cc1c[15nH]c[15n]1)C(O)=O Amb22367418 [0,0,0,0,0,0|0,0,2]=2 72 B11R1.35 NC(Cc1c[nH][n]c1)C(O)=O Amb18830910 [0,0,0,0,0,0|2,0,0]=2 73 B11R1.35 NC(Cc1c[nH]c[n]1)C(=O)Cl Amb25779249 [0,0,0,0,0,0|1,0,2]=3 74 B11R1.35 NC(Cc1c[nH]c[n]1)P(O)=O Amb25364542 [0,0,0,0,0,0|1,0,2]=3 75 B11R1.35 NC(Cc1c[nH]c[n]1)[13C](O)=O Amb22367519 [0,0,0,0,0,0|0,0,2]=2 76 B11R1.35 NC(Cc1c[n][s][n]1)C(O)=O Amb24471428 [0,0,0,0,0,0|1,0,1]=2 77 B11R1.35 NC(Cc1c[n]c[s]1)C(O)=O Amb18301833 [0,0,0,0,0,0|1,0,0]=1 78 B11R1.35 NC(Cc1c[n]o[n]1)C(O)=O Amb18200030 [0,0,0,0,0,0|1,0,1]=2 79 B11R1.35 NC(Cc1c[n]oc1)C(O)=O Amb18830802 [0,0,0,0,0,0|2,0,0]=2 80 B11R1.35 NC(Cc1c[s][n][n]1)C(O)=O Amb24674512 [0,0,0,0,0,0|2,0,1]=3 81 B11R1.35 NC(Cc1cc[nH]c1)C(O)=O Amb18065409 [0,0,0,0,0,0|1,0,1]=2 82 B11R1.35 NC(Cc1cc[n][nH]1)C(O)=O Amb18200498 [0,0,0,0,0,0|2,0,0]=2 83 B11R1.35 NC(Cc1cc[n][s]1)C(O)=O Amb18198297 [0,0,0,0,0,0|2,0,0]=2 84 B11R1.35 NC(Cc1cc[s][n]1)C(O)=O Amb18198296 [0,0,0,0,0,0|2,0,1]=3 85 B11R1.35 NC(Cc1ccc[nH]1)C(O)=O Amb18302277 [0,0,0,0,0,0|1,0,0]=1 86 B11R1.35 NC(Cc1ccoc1)C(O)=O Amb21858415 [0,0,0,0,0,0|2,0,0]=2 87 B11R1.35 NC(Cc1coc[n]1)C(O)=O Amb24409031 [0,0,0,0,0,0|1,0,1]=2 88 B11R1.35 N[C@@H](C(=O)O)Cc1cscn1 Amb10069174 [0,0,0,0,0,0|1,0,1]=2 89 B11R1.35 N[C@@H](CC1CCCN1)C(O)=O Amb25124150 [0,0,0,0,0,0|1,0,3]=4 90 B11R1.35 N[C@@H](C[n]1[n]c[n][n]1)C(O)=O Amb22351166 [0,0,0,0,0,0|2,0,1]=3 91 B11R1.35 N[C@@H](C[n]1c[n][n][n]1)C(O)=O Amb24730621 [0,0,0,0,0,0|2,0,1]=3 92 B11R1.35 N[C@@H](C[n]1c[n]cc1)C(O)=O Amb22750678 [0,0,0,0,0,0|2,0,0]=2 93 B11R1.35 N[C@@H](C[n]1c[n]cc1)C(O)=O Amb22754492 [0,0,0,0,0,0|2,0,0]=2 94 B11R1.35 N[C@@H](Cc1[nH]cc[n]1)C(O)=O Amb24571753 [0,0,0,0,0,0|2,0,0]=2 95 B11R1.35 N[C@@H](Cc1[n]cc[s]1)C(O)=O Amb19149166 [0,0,0,0,0,0|2,0,1]=3 96 B11R1.35 N[C@@H](Cc1c[nH]c[n]1)C(=O)Cl Amb25109967 [0,0,0,0,0,0|1,0,2]=3 97 B11R1.35 N[C@@H](Cc1c[nH]c[n]1)C(O)=O Amb22750687 [0,0,0,0,0,0|0,0,2]=2 98 B11R1.35 N[C@@H](Cc1c[n][n][nH]1)C(O)=O Amb25721932 [0,0,0,0,0,0|1,0,0]=1 99 B11R1.35 N[C@@H](Cc1c[n]c[s]1)C(O)=O Amb22745840 [0,0,0,0,0,0|1,0,0]=1 100 B11R1.35 N[C@@H](Cc1cc[nH]c1)C(O)=O Amb22746047 [0,0,0,0,0,0|1,0,1]=2 101 B11R1.35 N[C@@H](Cc1cc[n][nH]1)C(O)=O Amb24718311 [0,0,0,0,0,0|2,0,0]=2 102 B11R1.35 N[C@@H](Cc1ccc[nH]1)C(O)=O Amb22750710 [0,0,0,0,0,0|1,0,0]=1 103 B11R1.35 N[C@@H](Cc1ccc[s]1)C(O)=O Amb22747410 [0,0,0,0,0,0|2,0,0]=2 104 B11R1.35 N[C@@H](Cc1ccoc1)C(O)=O Amb22228970 [0,0,0,0,0,0|2,0,0]=2 105 B11R1.35 N[C@H](C(=O)N)Cc1c[nH]cn1 Amb16183883 [0,0,0,0,0,0|1,0,2]=3 106 B11R1.35 N[C@H](C(=O)O)Cc1cnc[nH]1 Amb16233144 [0,0,0,0,0,0|0,0,0]=0 107 B11R1.35 N[C@H](C(=O)O)Cc1cscn1 Amb10069175 [0,0,0,0,0,0|1,0,1]=2 108 B11R1.35 N[C@H](C(=O)O)Cn1cncn1 Amb17620828 [0,0,0,0,0,0|1,0,1]=2 109 B11R1.35 N[C@H](C[n]1[n]c[n][n]1)C(O)=O Amb25313330 [0,0,0,0,0,0|2,0,1]=3 110 B11R1.35 N[C@H](C[n]1c[n]c[n]1)C(O)=O Amb25843184 [0,0,0,0,0,0|1,0,1]=2 111 B11R1.35 N[C@H](Cc1[n]cc[s]1)C(O)=O Amb24350666 [0,0,0,0,0,0|2,0,1]=3 112 B11R1.35 N[C@H](Cc1c[n][s][n]1)C(O)=O Amb25260240 [0,0,0,0,0,0|1,0,1]=2 113 B11R1.35 N[C@H](Cc1cc[nH][n]1)C(O)=O Amb24700701 [0,0,0,0,0,0|2,0,1]=3 114 B11R1.35 N[C@H](Cc1cc[nH]c1)C(O)=O Amb24056486 [0,0,0,0,0,0|1,0,1]=2 115 B11R1.35 N[C@H](Cc1ccc[nH]1)C(O)=O Amb24082124 [0,0,0,0,0,0|1,0,0]=1 116 B11R1.35 N[C@H](Cc1ccoc1)C(O)=O Amb22228969 [0,0,0,0,0,0|2,0,0]=2 117 B11R1.35 N\C(=C\c1cc[s]c1)\C(O)=O Amb24729838 [0,0,0,0,0,0|2,0,2]=4 118 B11R1.35 N\C(=C\c1ccc[nH]1)\C(O)=O Amb24438740 [0,0,0,0,0,0|1,0,2]=3 119 B11R1.35 N\C(=C\c1ccoc1)\C(O)=O Amb24549139 [0,0,0,0,0,0|2,0,2]=4 120 B11R1.35 OC(=O)C(=O)Cc1[nH]cc[n]1 Amb25685368 [0,0,0,0,0,0|3,0,1]=4 121 B11R1.35 OC(=O)C(=O)Cc1c[n][s][n]1 Amb25243733 [0,0,0,0,0,0|2,0,2]=4 122 B11R1.35 OC(=O)C(=O)Cc1ccco1 Amb1137668 [0,0,0,0,0,0|3,0,1]=4 123 B11R1.35 OC(=O)C(=O)Cc1cccs1 Amb1135982 [0,0,0,0,0,0|3,0,1]=4 124 B11R1.35 OC(=O)C(=O)Cc1cscc1 Amb1133942 [0,0,0,0,0,0|3,0,1]=4 125 B11R1.35 OC(=O)C(=S)Cc1ccc[s]1 Amb22472986 [0,0,0,0,0,0|3,0,1]=4 126 B11R1.35 OC(=O)C(Br)Cc1[nH]cc[n]1 Amb24519091 [0,0,0,0,0,0|3,0,0]=3 127 B11R1.35 OC(=O)C(CC1=CCCC1)C Amb10844012 [0,0,0,0,0,0|3,0,1]=4 128 B11R1.35 OC(=O)C(Cc1ccco1)O Amb17138461 [0,0,0,0,0,0|3,0,0]=3 129 B11R1.35 OC(=O)C(Cc1cccs1)O Amb17138686 [0,0,0,0,0,0|3,0,0]=3 130 B11R1.35 OC(=O)C(Cc1cnc[nH]1)Br Amb10072271 [0,0,0,0,0,0|1,0,0]=1 131 B11R1.35 OC(=O)C(Cc1cscc1)C Amb17605844 [0,0,0,0,0,0|3,0,0]=3 132 B11R1.35 OC(=O)C(Cc1nccs1)C Amb17334845 [0,0,0,0,0,0|3,0,1]=4 133 B11R1.35 OC(=O)C(Cc1nccs1)N Amb16227038 [0,0,0,0,0,0|2,0,1]=3 134 B11R1.35 OC(=O)C(Cl)C[n]1c[n]cc1 Amb24486763 [0,0,0,0,0,0|3,0,0]=3 135 B11R1.35 OC(=O)C(Cl)Cc1c[nH]c[n]1 Amb18127345 [0,0,0,0,0,0|1,0,2]=3 136 B11R1.35 OC(=O)C(Cn1cccn1)C Amb2569108 [0,0,0,0,0,0|3,0,1]=4 137 B11R1.35 OC(=O)C(F)C[n]1c[n]c[n]1 Amb25178464 [0,0,0,0,0,0|2,0,1]=3 138 B11R1.35 OC(=O)C(F)Cc1c[s]c[n]1 Amb25200759 [0,0,0,0,0,0|2,0,1]=3 139 B11R1.35 OC(=O)C(F)Cc1cc[s]c1 Amb24568962 [0,0,0,0,0,0|3,0,0]=3 140 B11R1.35 OC(=O)C(F)Cc1ccco1 Amb25042990 [0,0,0,0,0,0|3,0,0]=3 141 B11R1.35 OC(=O)C(F)Sc1[nH][n]c[n]1 Amb24583978 [0,0,0,0,0,0|3,0,1]=4 142 B11R1.35 OC(=O)C(F)Sc1[nH]cc[n]1 Amb24382927 [0,0,0,0,0,0|4,0,0]=4 143 B11R1.35 OC(=O)C(F)Sc1ccc[s]1 Amb25149141 [0,0,0,0,0,0|4,0,0]=4 144 B11R1.35 OC(=O)C(O)Cc1[nH]c[n][n]1 Amb25080195 [0,0,0,0,0,0|2,0,0]=2 145 B11R1.35 OC(=O)C(O)Cc1[nH]cc[n]1 Amb24358972 [0,0,0,0,0,0|3,0,0]=3 146 B11R1.35 OC(=O)C(O)Cc1c[nH][n]c1 Amb24439315 [0,0,0,0,0,0|3,0,0]=3 147 B11R1.35 OC(=O)C(O)Cc1c[n][s][n]1 Amb24544815 [0,0,0,0,0,0|2,0,1]=3 148 B11R1.35 OC(=O)C(O)Cc1c[n]c[nH]1 Amb24487803 [0,0,0,0,0,0|1,0,0]=1 149 B11R1.35 OC(=O)C(S)Cc1c[n]c[nH]1 Amb24340448 [0,0,0,0,0,0|1,0,0]=1 150 B11R1.35 OC(=O)C(S)Cc1c[n]c[s]1 Amb25341723 [0,0,0,0,0,0|2,0,0]=2 151 B11R1.35 OC(=O)C(S)Cc1c[s][n][n]1 Amb25032760 [0,0,0,0,0,0|3,0,1]=4 152 B11R1.35 OC(=O)C(S)Cc1c[s]c[n]1 Amb24488369 [0,0,0,0,0,0|2,0,1]=3 153 B11R1.35 OC(=O)C(S)Cc1cc[s]c1 Amb18288888 [0,0,0,0,0,0|3,0,0]=3 154 B11R1.35 OC(=O)C(S)Cc1ccc[s]1 Amb18968268 [0,0,0,0,0,0|3,0,0]=3 155 B11R1.35 OC(=O)C(S)Cc1ccco1 Amb18968270 [0,0,0,0,0,0|3,0,0]=3 156 B11R1.35 OC(=O)C(Sc1nnn[nH]1)C Amb17073806 [0,0,0,0,0,0|4,0,0]=4 157 B11R1.35 OC(=O)C([NH3+])Cc1c[nH]cn1 Amb16187387 [0,0,0,0,0,0|0,0,3]=3 158 B11R1.35 OC(=O)[C@@H](Br)Cc1c[n]c[nH]1 Amb25237615 [0,0,0,0,0,0|1,0,0]=1 159 B11R1.35 OC(=O)[C@@H](Cc1c[nH]cn1)Cl Amb17610932 [0,0,0,0,0,0|1,0,2]=3 160 B11R1.35 OC(=O)[C@@H](Cc1ccco1)N Amb10068215 [0,0,0,0,0,0|2,0,0]=2 161 B11R1.35 OC(=O)[C@@H](Cc1cccs1)C Amb10844000 [0,0,0,0,0,0|3,0,0]=3 162 B11R1.35 OC(=O)[C@@H](Cc1cccs1)N Amb10068211 [0,0,0,0,0,0|2,0,0]=2 163 B11R1.35 OC(=O)[C@@H](Cc1cscc1)N Amb10068213 [0,0,0,0,0,0|2,0,0]=2 164 B11R1.35 OC(=O)[C@@H](Nc1cccs1)C Amb10603707 [0,0,0,0,0,0|4,0,0]=4 165 B11R1.35 OC(=O)[C@@H](O)Cc1c[s]cc1 Amb24739592 [0,0,0,0,0,0|3,0,0]=3 166 B11R1.35 OC(=O)[C@@H](O)Cc1ccc[s]1 Amb25074591 [0,0,0,0,0,0|3,0,0]=3 167 B11R1.35 OC(=O)[C@H](Cc1c[nH]cn1)Cl Amb17610931 [0,0,0,0,0,0|1,0,2]=3 168 B11R1.35 OC(=O)[C@H](Cc1ccco1)N Amb10068214 [0,0,0,0,0,0|2,0,0]=2 169 B11R1.35 OC(=O)[C@H](Cc1cccs1)C Amb10844001 [0,0,0,0,0,0|3,0,0]=3 170 B11R1.35 OC(=O)[C@H](Cc1cccs1)N Amb10068210 [0,0,0,0,0,0|2,0,0]=2 171 B11R1.35 OC(=O)[C@H](Cc1cscc1)N Amb10068212 [0,0,0,0,0,0|2,0,0]=2 172 B11R1.35 OC(=O)[C@H](F)Cc1cc[s]c1 Amb25103346 [0,0,0,0,0,0|3,0,0]=3 173 B11R1.35 OC(=O)[C@H](F)Cc1ccc[s]1 Amb25724921 [0,0,0,0,0,0|3,0,0]=3 174 B11R1.35 OC(=O)[C@H](O)Cc1c[n]c[nH]1 Amb25291005 [0,0,0,0,0,0|1,0,0]=1 175 B11R1.35 OC(=O)\C(\F)=C\c1ccc[nH]1 Amb25735919 [0,0,0,0,0,0|2,0,2]=4 176 B11R1.35 OC(=O)\C(\S)=C\c1ccc[nH]1 Amb25238397 [0,0,0,0,0,0|2,0,2]=4 177 B11R1.35 OC(C[n]1c[n][n]c1)C(O)=O Amb25733928 [0,0,0,0,0,0|4,0,0]=4 178 B11R1.35 OC(C[n]1c[n]c[n]1)C(O)=O Amb25078637 [0,0,0,0,0,0|2,0,1]=3 179 B11R1.35 OC(C[n]1c[n]cc1)C(O)=O Amb25143971 [0,0,0,0,0,0|3,0,0]=3 180 B11R1.35 O[C@H](C(=O)O)Cc1cnc[nH]1 Amb17616036 [0,0,0,0,0,0|1,0,0]=1 181 B11R1.35 [15NH2]C(Cc1c[nH]c[n]1)C(O)=O Amb22367419 [0,0,0,0,0,0|0,0,2]=2 182 B11R1.35 [15NH2][13C@@H]([13CH2][13c]1[13cH][15nH][13cH][15n]1)[13C](O)=O Amb22353557 [0,0,0,0,0,0|0,0,2]=2 183 B11R1.35 [15NH2][13C@@H]([13CH2][13c]1[13cH][nH][13cH][n]1)[13C](O)=O Amb22338897 [0,0,0,0,0,0|0,0,2]=2 184 B11R1.35 [15NH2][13CH]([13C](=O)O)[13CH2][13c]1[13cH][15n][13cH][15nH]1 Amb17614974 [0,0,0,0,0,0|0,0,0]=0 185 B11R1.35 [15NH2][C@@H](Cc1c[15nH]c[15n]1)C(O)=O Amb22362613 [0,0,0,0,0,0|0,0,2]=2 186 B11R1.35 [15NH2][C@@H](Cc1c[nH]c[n]1)C(O)=O Amb22339013 [0,0,0,0,0,0|0,0,2]=2 187 B10R1.27 C=CC(N)C[n]1c[n]c[n]1 Amb25379250 [1,0,0,0,0,0|2,0,1]=4 188 B10R1.27 C=CC(N)Cc1ccc[s]1 Amb24740329 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.27 CC(Cc1c[s]c[n]1)C=O Amb24690438 [1,0,0,0,0,0|2,0,1]=4 190 B10R1.27 CC(Cc1c[s]cc1)C=O Amb18644680 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.27 CC(Cc1ccc[s]1)C=O Amb18644678 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.27 CC(Cc1ccco1)C=O Amb18643240 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.27 CC(Cc1cocc1)C=O Amb24715294 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.27 CCC(N)Cc1c[n]c[s]1 Amb18996569 [1,0,0,0,0,0|2,0,1]=4 195 B10R1.27 CCC(N)Cc1ccc[nH]1 Amb18985469 [1,0,0,0,0,0|2,0,1]=4 196 B10R1.27 NC(CO)Cc1c[n]c[s]1 Amb24104437 [1,0,0,0,0,0|1,0,1]=3 197 B10R1.27 NC(CO)Cc1c[s]c[n]1 Amb24697508 [1,0,0,0,0,0|1,0,2]=4 198 B10R1.27 NC(CO)Cc1ccc[nH]1 Amb25293337 [1,0,0,0,0,0|1,0,1]=3 199 B10R1.27 NC(CO)Cc1cnc[nH]1 Amb17593572 [1,0,0,0,0,0|0,0,1]=2 200 B10R1.27 NC(CO)Cc1cocc1 Amb24627260 [1,0,0,0,0,0|2,0,1]=4 201 B10R1.27 N[C@@H](CO)Cc1c[s]cc1 Amb24547320 [1,0,0,0,0,0|2,0,1]=4 202 B10R1.27 N[C@@H](Cc1c[n]c[nH]1)C=O Amb24430087 [1,0,0,0,0,0|0,0,0]=1 203 B10R1.27 N[C@H](CBr)Cc1c[n]c[nH]1 Amb24477398 [1,0,0,0,0,0|1,0,1]=3 204 B10R1.27 N[C@H](CO)Cc1ccc[s]1 Amb25306299 [1,0,0,0,0,0|2,0,1]=4 205 B10R1.27 OC(CCl)Cc1c[n]c[nH]1 Amb24560767 [1,0,0,0,0,0|2,0,1]=4 206 B10R1.27 OC(Cc1c[n][s][n]1)C=O Amb24544882 [1,0,0,0,0,0|2,0,1]=4 207 B10R1.27 OC(Cc1c[n]c[s]1)C=O Amb24589363 [1,0,0,0,0,0|2,0,0]=3 208 B10R1.27 OC(Cc1cocc1)C=O Amb24380070 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.27 OCC(Cc1ccco1)N Amb17062680 [1,0,0,0,0,0|2,0,1]=4 210 B10R1.27 OCC(Cc1cccs1)N Amb17062681 [1,0,0,0,0,0|2,0,1]=4 211 B10R1.27 OC[C@@H](Cl)Cc1c[n]c[nH]1 Amb25088441 [1,0,0,0,0,0|1,0,1]=3 212 B10R1.66 CC(=O)CCc1c[n][s][n]1 Amb24548531 [1,0,0,0,0,0|2,0,1]=4 213 B10R1.66 CC(=O)CCc1c[n]co1 Amb18832107 [1,0,0,0,0,0|2,0,0]=3 214 B10R1.66 CC(=O)CCc1c[s]c[n]1 Amb25133415 [1,0,0,0,0,0|2,0,1]=4 215 B10R1.66 CC(=O)CCc1cc[nH]c1 Amb18223260 [1,0,0,0,0,0|2,0,1]=4 216 B10R1.66 CC(=O)CCc1cc[n][s]1 Amb24699528 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.66 CC(=O)CCc1ccc[nH]1 Amb24505108 [1,0,0,0,0,0|2,0,0]=3 218 B10R1.66 CC(=O)CCc1ccco1 Amb1107538 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.66 CC(=O)OCc1c[n]c[s]1 Amb25279956 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.66 CC(=O)OCc1ccc[nH]1 Amb24478971 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.66 CC(=O)\C=C\c1c[n]c[nH]1 Amb25203811 [1,0,0,0,0,0|1,0,2]=4 222 B10R1.66 CC(O)CCc1c[n]c[s]1 Amb25700591 [1,0,0,0,0,0|2,0,1]=4 223 B10R1.66 NC(=O)CC[n]1c[n]c[n]1 Amb24410666 [1,0,0,0,0,0|2,0,1]=4 224 B10R1.66 NC(=O)CCc1[nH][n][n][n]1 Amb25259791 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.66 NC(=O)CCc1[n][n]c[s]1 Amb24060629 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.66 NC(=O)CCc1c[n][n][nH]1 Amb23570462 [1,0,0,0,0,0|2,0,0]=3 227 B10R1.66 NC(=O)CCc1c[n]c[nH]1 Amb24563863 [1,0,0,0,0,0|1,0,0]=2 228 B10R1.66 NC(=O)CCc1ccoc1 Amb24722346 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.66 NC(=O)NCc1ccc[nH]1 Amb25237330 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.66 NC(=S)CCc1c[n]c[s]1 Amb25269638 [1,0,0,0,0,0|2,1,0]=4 231 B10R1.66 O=C(Cl)CCc1c[nH]c[n]1 Amb25042223 [1,0,0,0,0,0|1,0,2]=4 232 B10R1.66 O=C(Cl)CCc1ccc[s]1 Amb23440823 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.66 OC(=O)C#Cc1c[n]c[s]1 Amb24537958 [1,0,0,0,0,0|1,0,2]=4 234 B10R1.66 OC(=O)CCC1=CCCO1 Amb25223473 [1,0,0,0,0,0|2,0,1]=4 235 B10R1.66 OC(=O)CCC=1CC=CC1 Amb25264551 [1,0,0,0,0,0|2,0,0]=3 236 B10R1.66 OC(=O)CCC=1CN=CN1 Amb24702900 [1,0,0,0,0,0|0,0,2]=3 237 B10R1.66 OC(=O)CCC=1NCCN1 Amb24628283 [1,0,0,0,0,0|2,0,1]=4 238 B10R1.66 OC(=O)CC[n]1c[nH+]cc1 Amb19861387 [1,0,0,0,0,0|2,0,1]=4 239 B10R1.66 OC(=O)CC[n]1c[n][n]c1 Amb22587401 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.66 OC(=O)CC[n]1ccc[n]1 Amb22586761 [1,0,0,0,0,0|2,0,1]=4 241 B10R1.66 OC(=O)CCc1[nH][n][n][n]1 Amb18862465 [1,0,0,0,0,0|2,0,0]=3 242 B10R1.66 OC(=O)CCc1[nH][n]c[n]1 Amb18862458 [1,0,0,0,0,0|1,0,1]=3 243 B10R1.66 OC(=O)CCc1[nH]cc[n]1 Amb23401501 [1,0,0,0,0,0|2,0,0]=3 244 B10R1.66 OC(=O)CCc1[n][n]c[s]1 Amb24060630 [1,0,0,0,0,0|2,0,0]=3 245 B10R1.66 OC(=O)CCc1[n]c[n][s]1 Amb18830503 [1,0,0,0,0,0|1,0,1]=3 246 B10R1.66 OC(=O)CCc1[n]c[s][n]1 Amb18830498 [1,0,0,0,0,0|2,0,1]=4 247 B10R1.66 OC(=O)CCc1[n]co[n]1 Amb23592186 [1,0,0,0,0,0|2,0,1]=4 248 B10R1.66 OC(=O)CCc1c[nH][n][n]1 Amb22546300 [1,0,0,0,0,0|1,0,2]=4 249 B10R1.66 OC(=O)CCc1c[nH]c[n]1 Amb22370608 [1,0,0,0,0,0|0,0,2]=3 250 B10R1.66 OC(=O)CCc1c[nH]cn1 Amb10070816 [1,0,0,0,0,0|0,0,2]=3 251 B10R1.66 OC(=O)CCc1c[nH]nc1 Amb10607666 [1,0,0,0,0,0|2,0,0]=3 252 B10R1.66 OC(=O)CCc1c[n][n][s]1 Amb24436641 [1,0,0,0,0,0|2,0,0]=3 253 B10R1.66 OC(=O)CCc1c[n][s][n]1 Amb24549006 [1,0,0,0,0,0|1,0,1]=3 254 B10R1.66 OC(=O)CCc1c[n]c[s]1 Amb18830641 [1,0,0,0,0,0|1,0,0]=2 255 B10R1.66 OC(=O)CCc1c[n]co1 Amb22011672 [1,0,0,0,0,0|1,0,0]=2 256 B10R1.66 OC(=O)CCc1c[n]o[n]1 Amb18202653 [1,0,0,0,0,0|1,0,1]=3 257 B10R1.66 OC(=O)CCc1cc[nH]c1 Amb18562783 [1,0,0,0,0,0|1,0,1]=3 258 B10R1.66 OC(=O)CCc1cc[n][nH]1 Amb18202888 [1,0,0,0,0,0|2,0,0]=3 259 B10R1.66 OC(=O)CCc1cc[n][s]1 Amb18830640 [1,0,0,0,0,0|2,0,0]=3 260 B10R1.66 OC(=O)CCc1cc[s][n]1 Amb18830643 [1,0,0,0,0,0|2,0,1]=4 261 B10R1.66 OC(=O)CCc1ccc[nH]1 Amb10602142 [1,0,0,0,0,0|1,0,0]=2 262 B10R1.66 OC(=O)CCc1ccco1 Amb1153073 [1,0,0,0,0,0|2,0,0]=3 263 B10R1.66 OC(=O)CCc1cccs1 Amb1154297 [1,0,0,0,0,0|2,0,0]=3 264 B10R1.66 OC(=O)CCc1ccno1 Amb1092001 [1,0,0,0,0,0|2,0,0]=3 265 B10R1.66 OC(=O)CCc1ccoc1 Amb18643489 [1,0,0,0,0,0|2,0,0]=3 266 B10R1.66 OC(=O)CCc1cocn1 Amb17399866 [1,0,0,0,0,0|1,0,1]=3 267 B10R1.66 OC(=O)CCc1cscc1 Amb1153814 [1,0,0,0,0,0|2,0,0]=3 268 B10R1.66 OC(=O)CCc1ncco1 Amb17399867 [1,0,0,0,0,0|2,0,1]=4 269 B10R1.66 OC(=O)CCc1nnco1 Amb17138394 [1,0,0,0,0,0|2,0,0]=3 270 B10R1.66 OC(=O)CCn1cccc1 Amb1130611 [1,0,0,0,0,0|3,0,0]=4 271 B10R1.66 OC(=O)CCn1cccn1 Amb1159216 [1,0,0,0,0,0|2,0,1]=4 272 B10R1.66 OC(=O)CCn1cncc1 Amb1159316 [1,0,0,0,0,0|2,0,0]=3 273 B10R1.66 OC(=O)CCn1cncn1 Amb1041440 [1,0,0,0,0,0|1,0,1]=3 274 B10R1.66 OC(=O)CCn1cnnc1 Amb17621994 [1,0,0,0,0,0|3,0,0]=4 275 B10R1.66 OC(=O)CCn1cnnn1 Amb1063474 [1,0,0,0,0,0|2,0,1]=4 276 B10R1.66 OC(=O)CNc1[nH]cc[n]1 Amb25228412 [1,0,0,0,0,0|3,0,0]=4 277 B10R1.66 OC(=O)CNc1[n][n]c[s]1 Amb25737188 [1,0,0,0,0,0|3,0,0]=4 278 B10R1.66 OC(=O)CNc1[n]c[n][s]1 Amb25312767 [1,0,0,0,0,0|2,0,1]=4 279 B10R1.66 OC(=O)CNc1c[n]c[s]1 Amb24398595 [1,0,0,0,0,0|2,0,0]=3 280 B10R1.66 OC(=O)CNc1c[n]co1 Amb25317924 [1,0,0,0,0,0|2,0,0]=3 281 B10R1.66 OC(=O)CNc1cc[n][s]1 Amb24482208 [1,0,0,0,0,0|3,0,0]=4 282 B10R1.66 OC(=O)CNc1cc[n]o1 Amb24575684 [1,0,0,0,0,0|3,0,0]=4 283 B10R1.66 OC(=O)CNc1cc[s]c1 Amb25322129 [1,0,0,0,0,0|3,0,0]=4 284 B10R1.66 OC(=O)COc1[n][n]c[s]1 Amb24091062 [1,0,0,0,0,0|3,0,0]=4 285 B10R1.66 OC(=O)COc1c[n][s][n]1 Amb24083891 [1,0,0,0,0,0|2,0,1]=4 286 B10R1.66 OC(=O)COc1c[n]o[n]1 Amb18831519 [1,0,0,0,0,0|2,0,1]=4 287 B10R1.66 OC(=O)COc1cc[s]c1 Amb18126122 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.66 OC(=O)CSc1[nH]cc[n]1 Amb25362143 [1,0,0,0,0,0|3,0,0]=4 289 B10R1.66 OC(=O)CSc1[n]c[n][s]1 Amb25728181 [1,0,0,0,0,0|2,0,1]=4 290 B10R1.66 OC(=O)CSc1c[nH]cc1 Amb17593930 [1,0,0,0,0,0|2,0,1]=4 291 B10R1.66 OC(=O)CSc1ccc[nH]1 Amb18644915 [1,0,0,0,0,0|2,0,0]=3 292 B10R1.66 OC(=O)CSc1nnc[nH]1 Amb1159104 [1,0,0,0,0,0|2,0,0]=3 293 B10R1.66 OC(=O)CSc1nncs1 Amb1126205 [1,0,0,0,0,0|3,0,0]=4 294 B10R1.66 OC(=O)CSc1nnn[nH]1 Amb17073751 [1,0,0,0,0,0|3,0,0]=4 295 B10R1.66 OC(=O)\C=C/c1c[n]c[nH]1 Amb25069718 [1,0,0,0,0,0|0,0,2]=3 296 B10R1.66 OC(=O)\C=C\c1c[n][n][nH]1 Amb24707931 [1,0,0,0,0,0|1,0,2]=4 297 B10R1.66 OC(=O)\C=C\c1c[n]c[s]1 Amb18255752 [1,0,0,0,0,0|1,0,2]=4 298 B10R1.66 OC(=O)\C=C\c1c[n]co1 Amb24696626 [1,0,0,0,0,0|1,0,2]=4 299 B10R1.66 OC(=O)\C=C\c1ccc[nH]1 Amb18643136 [1,0,0,0,0,0|1,0,2]=4 300 B10R1.66 O[13C](=O)\[13CH]=[13CH]\c1c[n]c[nH]1 Amb19954840 [1,0,0,0,0,0|0,0,2]=3 301 B12R1.104 CC(C(=O)O)Cc1ccc(o1)C Amb17605842 [0,1,0,0,0,0|3,0,0]=4 302 B12R1.104 CC(C(=O)O)Cc1ccc(s1)C Amb17605840 [0,1,0,0,0,0|3,0,0]=4 303 B12R1.104 CC(C(=O)O)Cc1nnc(o1)C Amb17400316 [0,1,0,0,0,0|3,0,0]=4 304 B12R1.104 CC(C(=O)O)Sc1nnc([nH]1)C Amb17073797 [0,1,0,0,0,0|3,0,0]=4 305 B12R1.104 CC(Cc1c[s]c(Cl)[n]1)C(O)=O Amb24413710 [0,1,0,0,0,0|2,0,1]=4 306 B12R1.104 CC(Cc1c[s]c(Cl)c1)C(O)=O Amb25032087 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.104 CC(Cc1cc(Br)c[s]1)C(O)=O Amb18981859 [0,1,0,0,0,0|3,0,0]=4 308 B12R1.104 CC(Cc1cc(Cl)c[s]1)C(O)=O Amb24569327 [0,1,0,0,0,0|3,0,0]=4 309 B12R1.104 CC(Cc1ccc(Br)[s]1)C(O)=O Amb18290324 [0,1,0,0,0,0|3,0,0]=4 310 B12R1.104 CC(Cc1ccc(Br)o1)C(O)=O Amb25297998 [0,1,0,0,0,0|3,0,0]=4 311 B12R1.104 CC(Cc1ccc(Cl)[s]1)C(O)=O Amb18290306 [0,1,0,0,0,0|3,0,0]=4 312 B12R1.104 CC(Cc1coc(Br)c1)C(O)=O Amb25205667 [0,1,0,0,0,0|3,0,0]=4 313 B12R1.104 CC(Sc1[nH]c(N)[n][n]1)C(O)=O Amb18292775 [0,1,0,0,0,0|3,0,0]=4 314 B12R1.104 C[n]1[n]c(C[C@H](N)C(O)=O)[n][n]1 Amb25378201 [0,1,0,0,0,0|2,0,1]=4 315 B12R1.104 C[n]1[n]c(C[C@H](N)C(O)=O)c[n]1 Amb24456288 [0,1,0,0,0,0|1,0,1]=3 316 B12R1.104 C[n]1c[n]c(CC(N)C(O)=O)[n]1 Amb18825702 [0,1,0,0,0,0|1,0,2]=4 317 B12R1.104 C[n]1cc(CC(C)C(O)=O)c[n]1 Amb18986552 [0,1,0,0,0,0|3,0,0]=4 318 B12R1.104 C[n]1cc(CC(F)C(O)=O)c[n]1 Amb25232505 [0,1,0,0,0,0|3,0,0]=4 319 B12R1.104 C[n]1cc(CC(N)C(O)=O)[n][n]1 Amb19000860 [0,1,0,0,0,0|1,0,2]=4 320 B12R1.104 C[n]1cc(CC(N)C(O)=O)c[n]1 Amb19429078 [0,1,0,0,0,0|2,0,0]=3 321 B12R1.104 C[n]1cc(CC(N)C(O)=O)cc1 Amb18563843 [0,1,0,0,0,0|1,0,1]=3 322 B12R1.104 C[n]1cc(CC(S)C(O)=O)c[n]1 Amb18968266 [0,1,0,0,0,0|3,0,0]=4 323 B12R1.104 C[n]1cc(C[C@@H](N)C(O)=O)[n][n]1 Amb24699416 [0,1,0,0,0,0|1,0,2]=4 324 B12R1.104 C[n]1cc(C[C@@H](N)C(O)=O)[n]c1 Amb22747829 [0,1,0,0,0,0|0,0,2]=3 325 B12R1.104 C[n]1cc(C[C@@H](N)C(O)=O)[n]c1 Amb22801373 [0,1,0,0,0,0|0,0,2]=3 326 B12R1.104 C[n]1cc(C[C@@H](N)C(O)=O)c[n]1 Amb18801206 [0,1,0,0,0,0|2,0,0]=3 327 B12R1.104 C[n]1cc(C[C@H](N)C(O)=O)[n][n]1 Amb25737135 [0,1,0,0,0,0|1,0,2]=4 328 B12R1.104 C[n]1cc(C[C@H](N)C(O)=O)[n]c1 Amb22349466 [0,1,0,0,0,0|0,0,2]=3 329 B12R1.104 C[n]1cc(C[C@H](N)C(O)=O)c[n]1 Amb25740928 [0,1,0,0,0,0|2,0,0]=3 330 B12R1.104 Cc1[nH]c(CC(Cl)C(O)=O)c[n]1 Amb25751346 [0,1,0,0,0,0|1,0,0]=2 331 B12R1.104 Cc1[nH]c(CC(N)C(O)=O)c[n]1 Amb18826090 [0,1,0,0,0,0|0,0,0]=1 332 B12R1.104 Cc1[nH]cc(C[C@@H](N)C(O)=O)[n]1 Amb22748498 [0,1,0,0,0,0|0,0,2]=3 333 B12R1.104 Cc1[nH]cc(C[C@H](N)C(O)=O)[n]1 Amb24710097 [0,1,0,0,0,0|0,0,2]=3 334 B12R1.104 Cc1[n][n]c(CC(N)C(O)=O)o1 Amb18198700 [0,1,0,0,0,0|2,0,0]=3 335 B12R1.104 Cc1[n]c(CC(N)C(N)=O)c[s]1 Amb24434791 [0,1,0,0,0,0|2,0,1]=4 336 B12R1.104 Cc1[n]c(CC(N)C(O)=O)[n]o1 Amb18198697 [0,1,0,0,0,0|2,0,1]=4 337 B12R1.104 Cc1[n]c(C[C@@H](N)C(O)=O)c[s]1 Amb25667151 [0,1,0,0,0,0|1,0,1]=3 338 B12R1.104 Cc1[n]cc(CC(=O)C(O)=O)[s]1 Amb25714990 [0,1,0,0,0,0|2,0,1]=4 339 B12R1.104 Cc1[n]cc(CC(C)C(C)=O)[s]1 Amb25691987 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.104 Cc1[n]cc(CC(C)C(O)=O)[s]1 Amb18302886 [0,1,0,0,0,0|2,0,0]=3 341 B12R1.104 Cc1[n]cc(CC(N)C(O)=O)[s]1 Amb18822037 [0,1,0,0,0,0|1,0,0]=2 342 B12R1.104 Cc1[n]cc(CC(S)C(O)=O)[s]1 Amb25773601 [0,1,0,0,0,0|2,0,0]=3 343 B12R1.104 Cc1[n]cc(C[C@H](N)C(O)=O)[s]1 Amb24346493 [0,1,0,0,0,0|1,0,0]=2 344 B12R1.104 Cc1c[n](CC(N)C(O)=O)[n]c1 Amb18984357 [0,1,0,0,0,0|2,0,1]=4 345 B12R1.104 Cc1c[n](CC(N)C(O)=O)[n]c1 Amb24271205 [0,1,0,0,0,0|2,0,1]=4 346 B12R1.104 Cc1c[n]c(CC(N)C(O)=O)[nH]1 Amb18826089 [0,1,0,0,0,0|2,0,0]=3 347 B12R1.104 Cc1c[s]c(CC(N)C(O)=O)[n]1 Amb25149859 [0,1,0,0,0,0|2,0,1]=4 348 B12R1.104 Cc1c[s]c(C[C@@H](N)C(O)=O)[n]1 Amb24450434 [0,1,0,0,0,0|2,0,1]=4 349 B12R1.104 Cc1c[s]c(C[C@H](N)C(O)=O)[n]1 Amb25770644 [0,1,0,0,0,0|2,0,1]=4 350 B12R1.104 Cc1cc(CC(C)C(O)=O)c[s]1 Amb25784531 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.104 Cc1cc(CC(Cl)C(O)=O)[s][n]1 Amb25325080 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.104 Cc1cc(CC(N)C(O)=O)[n][nH]1 Amb18826087 [0,1,0,0,0,0|2,0,1]=4 353 B12R1.104 Cc1cc(CC(N)C(O)=O)[n]o1 Amb18825740 [0,1,0,0,0,0|2,0,1]=4 354 B12R1.104 Cc1cc(CC(N)C(O)=O)[s][n]1 Amb18822035 [0,1,0,0,0,0|2,0,0]=3 355 B12R1.104 Cc1cc(CC(N)C(O)=O)[s]c1 Amb18822423 [0,1,0,0,0,0|2,0,0]=3 356 B12R1.104 Cc1cc(CC(N)C(O)=O)c[s]1 Amb24671343 [0,1,0,0,0,0|2,0,0]=3 357 B12R1.104 Cc1cc(CC(N)C(O)=O)co1 Amb18826155 [0,1,0,0,0,0|2,0,0]=3 358 B12R1.104 Cc1cc(C[C@@H](N)C(O)=O)[s]c1 Amb24655792 [0,1,0,0,0,0|2,0,0]=3 359 B12R1.104 Cc1cc(C[C@@H](N)C(O)=O)c[s]1 Amb24446585 [0,1,0,0,0,0|2,0,0]=3 360 B12R1.104 Cc1cc(C[C@H](N)C(O)=O)[s]c1 Amb25301961 [0,1,0,0,0,0|2,0,0]=3 361 B12R1.104 Cc1cc(on1)C[C@@H](C(=O)O)N Amb16233650 [0,1,0,0,0,0|2,0,0]=3 362 B12R1.104 Cc1ccc(CC(S)C(O)=O)[s]1 Amb18968188 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.104 Cc1ccc(CC(S)C(O)=O)o1 Amb18288979 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.104 Cc1ccc(C[C@@H](N)C(O)=O)[s]1 Amb19069333 [0,1,0,0,0,0|2,0,0]=3 365 B12R1.104 Cc1ccc(C[C@@H](N)C(O)=O)o1 Amb18801199 [0,1,0,0,0,0|2,0,0]=3 366 B12R1.104 Cc1ccc(C[C@H](N)C(O)=O)[s]1 Amb24613636 [0,1,0,0,0,0|2,0,0]=3 367 B12R1.104 Cc1ccc(C[C@H](N)C(O)=O)o1 Amb24380249 [0,1,0,0,0,0|2,0,0]=3 368 B12R1.104 Cc1coc(CC(N)C(O)=O)[n]1 Amb18825741 [0,1,0,0,0,0|2,0,1]=4 369 B12R1.104 Cc1nc(cs1)CC(C(=O)O)N Amb17065744 [0,1,0,0,0,0|1,0,1]=3 370 B12R1.104 Cn1cc(nc1)CC(C(=O)O)N Amb16233066 [0,1,0,0,0,0|0,0,2]=3 371 B12R1.104 NC(=O)C(N)Cc1cc(Br)c[s]1 Amb24699965 [0,1,0,0,0,0|3,0,0]=4 372 B12R1.104 NC(=O)C(N)Cc1ccc(Cl)[s]1 Amb25793775 [0,1,0,0,0,0|3,0,0]=4 373 B12R1.104 NC(C(=O)O)Cc1cnc([nH]1)S Amb17594852 [0,1,0,0,0,0|0,0,0]=1 374 B12R1.104 NC(CC=1C=NC(=O)N1)C(O)=O Amb25289739 [0,1,0,0,0,0|0,0,1]=2 375 B12R1.104 NC(CC=1C=NC(=S)N1)C(O)=O Amb25137256 [0,1,0,0,0,0|0,0,1]=2 376 B12R1.104 NC(CC=1C=NC(S)N1)C(O)=O Amb25082817 [0,1,0,0,0,0|0,0,2]=3 377 B12R1.104 NC(CC=1CC(=O)ON1)C(O)=O Amb24563944 [0,1,0,0,0,0|3,0,0]=4 378 B12R1.104 NC(CN1C=CC(=O)O1)C(O)=O Amb24652373 [0,1,0,0,0,0|3,0,0]=4 379 B12R1.104 NC(C[n]1cc(Br)c[n]1)C(O)=O Amb18984365 [0,1,0,0,0,0|2,0,1]=4 380 B12R1.104 NC(C[n]1cc(Br)c[n]1)C(O)=O Amb24271207 [0,1,0,0,0,0|2,0,1]=4 381 B12R1.104 NC(C[n]1cc(Cl)c[n]1)C(O)=O Amb18984361 [0,1,0,0,0,0|2,0,1]=4 382 B12R1.104 NC(C[n]1cc(Cl)c[n]1)C(O)=O Amb24271206 [0,1,0,0,0,0|2,0,1]=4 383 B12R1.104 NC(C[n]1cc(I)c[n]1)C(O)=O Amb25151054 [0,1,0,0,0,0|2,0,1]=4 384 B12R1.104 NC(Cc1c[nH]c(Br)[n]1)C(O)=O Amb25104250 [0,1,0,0,0,0|0,0,2]=3 385 B12R1.104 NC(Cc1c[nH]c(O)[n]1)C(O)=O Amb25293793 [0,1,0,0,0,0|0,0,2]=3 386 B12R1.104 NC(Cc1c[n]c(I)[s]1)C(O)=O Amb24342000 [0,1,0,0,0,0|1,0,0]=2 387 B12R1.104 NC(Cc1c[s]c(I)[n]1)C(O)=O Amb25757229 [0,1,0,0,0,0|1,0,1]=3 388 B12R1.104 NC(Cc1cc(Br)c[nH]1)C(O)=O Amb25734631 [0,1,0,0,0,0|1,0,0]=2 389 B12R1.104 NC(Cc1cc(O)[n]o1)C(O)=O Amb24634100 [0,1,0,0,0,0|2,0,0]=3 390 B12R1.104 NC(Cc1ccc(Cl)o1)C(O)=O Amb19000858 [0,1,0,0,0,0|2,0,0]=3 391 B12R1.104 NC(Cc1ccc(I)o1)C(O)=O Amb24341823 [0,1,0,0,0,0|2,0,0]=3 392 B12R1.104 NC(Cc1coc(Br)c1)C(O)=O Amb25807466 [0,1,0,0,0,0|2,0,0]=3 393 B12R1.104 N[C@@H](CC1=CNC(=S)N1)C(O)=O Amb19133014 [0,1,0,0,0,0|0,0,1]=2 394 B12R1.104 N[C@@H](CC=1C=NC(=O)N1)C(O)=O Amb25281978 [0,1,0,0,0,0|0,0,1]=2 395 B12R1.104 N[C@@H](CC=1C=NC(=S)N1)C(O)=O Amb24401476 [0,1,0,0,0,0|0,0,1]=2 396 B12R1.104 N[C@@H](CC=1C=NC(S)N1)C(O)=O Amb25744577 [0,1,0,0,0,0|0,0,2]=3 397 B12R1.104 N[C@@H](CC=1CC(=O)ON1)C(O)=O Amb25101591 [0,1,0,0,0,0|3,0,0]=4 398 B12R1.104 N[C@@H](CC=1CN=C(S)N1)C(O)=O Amb25258420 [0,1,0,0,0,0|0,0,2]=3 399 B12R1.104 N[C@@H](CN1C=CC(=O)O1)C(O)=O Amb24635834 [0,1,0,0,0,0|3,0,0]=4 400 B12R1.104 N[C@@H](C[C@@H]1CNC(=N)N1)C(O)=O Amb24626578 [0,1,0,0,0,0|0,0,3]=4 401 B12R1.104 N[C@@H](Cc1[n]cc(I)[s]1)C(O)=O Amb25704719 [0,1,0,0,0,0|2,0,1]=4 402 B12R1.104 N[C@@H](Cc1c[nH]c(Br)[n]1)C(O)=O Amb24448385 [0,1,0,0,0,0|0,0,2]=3 403 B12R1.104 N[C@@H](Cc1c[nH]c(Cl)[n]1)C(O)=O Amb25265735 [0,1,0,0,0,0|0,0,2]=3 404 B12R1.104 N[C@@H](Cc1c[nH]c(O)[n]1)C(O)=O Amb24740842 [0,1,0,0,0,0|0,0,2]=3 405 B12R1.104 N[C@@H](Cc1c[n](O)c[n]1)C(O)=O Amb24373913 [0,1,0,0,0,0|0,0,2]=3 406 B12R1.104 N[C@@H](Cc1c[s]c(Br)c1)C(O)=O Amb25371112 [0,1,0,0,0,0|2,0,0]=3 407 B12R1.104 N[C@@H](Cc1c[s]c(Cl)c1)C(O)=O Amb25138005 [0,1,0,0,0,0|2,0,0]=3 408 B12R1.104 N[C@@H](Cc1cc(Cl)c[s]1)C(O)=O Amb25087999 [0,1,0,0,0,0|2,0,0]=3 409 B12R1.104 N[C@@H](Cc1cc(I)c[nH]1)C(O)=O Amb24468334 [0,1,0,0,0,0|1,0,0]=2 410 B12R1.104 N[C@@H](Cc1cc(O)[n]o1)C(O)=O Amb24576853 [0,1,0,0,0,0|2,0,0]=3 411 B12R1.104 N[C@@H](Cc1ccc(Br)[s]1)C(O)=O Amb22746252 [0,1,0,0,0,0|2,0,0]=3 412 B12R1.104 N[C@@H](Cc1ccc(Br)o1)C(O)=O Amb24488678 [0,1,0,0,0,0|2,0,0]=3 413 B12R1.104 N[C@@H](Cc1coc(Br)c1)C(O)=O Amb24690262 [0,1,0,0,0,0|2,0,0]=3 414 B12R1.104 N[C@H](CC1=CNC(=S)N1)C(O)=O Amb25827584 [0,1,0,0,0,0|0,0,1]=2 415 B12R1.104 N[C@H](Cc1c[nH]c(I)[n]1)C(O)=O Amb25034861 [0,1,0,0,0,0|0,0,2]=3 416 B12R1.104 N[C@H](Cc1c[s]c(Cl)c1)C(O)=O Amb24735847 [0,1,0,0,0,0|2,0,0]=3 417 B12R1.104 N[C@H](Cc1cc(Br)c[s]1)C(O)=O Amb24431257 [0,1,0,0,0,0|2,0,0]=3 418 B12R1.104 N[C@H](Cc1cc(Br)co1)C(O)=O Amb25223140 [0,1,0,0,0,0|2,0,0]=3 419 B12R1.104 N[C@H](Cc1cc(I)c[nH]1)C(O)=O Amb24760307 [0,1,0,0,0,0|1,0,0]=2 420 B12R1.104 N[C@H](Cc1cc(O)[n]o1)C(O)=O Amb25077344 [0,1,0,0,0,0|2,0,0]=3 421 B12R1.104 N[C@H](Cc1ccc(Br)o1)C(O)=O Amb25791878 [0,1,0,0,0,0|2,0,0]=3 422 B12R1.104 N[C@H](Cc1ccc(Cl)[s]1)C(O)=O Amb24462225 [0,1,0,0,0,0|2,0,0]=3 423 B12R1.104 Nc1[nH]c(C[C@@H](N)C(O)=O)c[n]1 Amb24420030 [0,1,0,0,0,0|0,0,0]=1 424 B12R1.104 Nc1[nH]cc(C[C@H](N)C(O)=O)[n]1 Amb25367260 [0,1,0,0,0,0|0,0,2]=3 425 B12R1.104 Nc1[n]c(CC(N)C(O)=O)c[s]1 Amb25109207 [0,1,0,0,0,0|1,0,1]=3 426 B12R1.104 Nc1[n]c(C[C@@H](N)C(O)=O)c[s]1 Amb25667550 [0,1,0,0,0,0|1,0,1]=3 427 B12R1.104 Nc1[n]c[n](CC(N)C(O)=O)[n]1 Amb24724699 [0,1,0,0,0,0|1,0,1]=3 428 B12R1.104 Nc1[n]cc(CC(N)C(O)=O)[s]1 Amb24677723 [0,1,0,0,0,0|1,0,0]=2 429 B12R1.104 Nc1[n]cc(C[C@@H](N)C(O)=O)[s]1 Amb25771540 [0,1,0,0,0,0|1,0,0]=2 430 B12R1.104 OC(=O)C(F)Cc1cc(Cl)c[s]1 Amb25235039 [0,1,0,0,0,0|3,0,0]=4 431 B12R1.104 OC(=O)C(F)Cc1ccc(Br)o1 Amb25200825 [0,1,0,0,0,0|3,0,0]=4 432 B12R1.104 OC(=O)C(F)Cc1ccc(Cl)[s]1 Amb25248528 [0,1,0,0,0,0|3,0,0]=4 433 B12R1.104 OC(=O)C(O)Cc1c[s]c(Cl)c1 Amb24735871 [0,1,0,0,0,0|3,0,0]=4 434 B12R1.104 OC(=O)C(O)Cc1ccc(Br)[s]1 Amb24376472 [0,1,0,0,0,0|3,0,0]=4 435 B12R1.104 OC(=O)C(O)Cc1ccc(Cl)[s]1 Amb24483662 [0,1,0,0,0,0|3,0,0]=4 436 B12R1.108 CC(C(=O)OC)Sc1nnc[nH]1 Amb2522869 [0,1,0,0,0,0|3,0,0]=4 437 B12R1.108 CNC(=O)C(N)Cc1c[nH]c[n]1 Amb23443539 [0,1,0,0,0,0|1,0,2]=4 438 B12R1.108 CNC(=O)C(N)Cc1c[s]c[n]1 Amb25104356 [0,1,0,0,0,0|2,0,1]=4 439 B12R1.108 COC(=O)C(Cc1c[nH]cn1)N Amb2444649 [0,1,0,0,0,0|0,0,2]=3 440 B12R1.108 COC(=O)C(Cc1ccco1)O Amb17138659 [0,1,0,0,0,0|3,0,0]=4 441 B12R1.108 COC(=O)C(Cc1cccs1)O Amb17139129 [0,1,0,0,0,0|3,0,0]=4 442 B12R1.108 COC(=O)C(Cc1cnc[nH]1)N Amb10789312 [0,1,0,0,0,0|0,0,0]=1 443 B12R1.108 COC(=O)C(Cc1nc[nH]c1)N Amb1154312 [0,1,0,0,0,0|0,0,2]=3 444 B12R1.108 COC(=O)C(N)C[n]1c[n]cc1 Amb18788965 [0,1,0,0,0,0|2,0,0]=3 445 B12R1.108 COC(=O)C(N)C[n]1c[n]cc1 Amb24271204 [0,1,0,0,0,0|2,0,0]=3 446 B12R1.108 COC(=O)C(N)C[n]1ccc[n]1 Amb18788967 [0,1,0,0,0,0|2,0,1]=4 447 B12R1.108 COC(=O)[C@@H](Cc1nc[nH]c1)N Amb19135253 [0,1,0,0,0,0|0,0,2]=3 448 B12R1.108 COC(=O)[C@@H](N)Cc1c[nH]c[n]1 Amb22748538 [0,1,0,0,0,0|0,0,2]=3 449 B12R1.108 COC(=O)[C@@H](N)Cc1ccc[s]1 Amb19149172 [0,1,0,0,0,0|2,0,0]=3 450 B12R1.108 COC(=O)[C@H](Cc1c[nH]cn1)Cl Amb17611956 [0,1,0,0,0,0|1,0,2]=4 451 B12R1.108 COC(=O)[C@H](Cc1cnc[nH]1)N Amb17614975 [0,1,0,0,0,0|0,0,0]=1 452 B12R1.108 NC(Cc1c[nH]c[n]1)C(O)=NO Amb25212280 [0,1,0,0,0,0|0,0,3]=4 453 B12R1.108 NNC(=O)C(N)Cc1c[nH]c[n]1 Amb25806155 [0,1,0,0,0,0|1,0,2]=4 454 B12R1.108 NNC(=O)[C@@H](N)Cc1c[nH]c[n]1 Amb24342006 [0,1,0,0,0,0|1,0,2]=4 455 B12R1.108 N[C@@H](Cc1c[nH]c[n]1)C(=O)NO Amb25751742 [0,1,0,0,0,0|0,0,2]=3 456 B12R1.120 CC(C(C)C(O)=O)[n]1c[n]c[n]1 Amb24342009 [0,1,0,0,0,0|2,0,1]=4 457 B12R1.120 CC(C(C)C(O)=O)[n]1c[n]cc1 Amb25041985 [0,1,0,0,0,0|3,0,0]=4 458 B12R1.120 CC(C(C)c1c[nH][n]c1)C(O)=O Amb18826646 [0,1,0,0,0,0|3,0,0]=4 459 B12R1.120 CC(C(C)c1c[n]c[s]1)C(O)=O Amb18822430 [0,1,0,0,0,0|2,0,0]=3 460 B12R1.120 CC(C(C)c1c[s]c[n]1)C(O)=O Amb18822431 [0,1,0,0,0,0|2,0,1]=4 461 B12R1.120 CC(C(C)c1cc[n][s]1)C(O)=O Amb25243837 [0,1,0,0,0,0|3,0,0]=4 462 B12R1.120 CC(C(C)c1ccc[nH]1)C(O)=O Amb24343766 [0,1,0,0,0,0|2,0,0]=3 463 B12R1.120 CC(C(C)c1ccc[s]1)C(O)=O Amb18822834 [0,1,0,0,0,0|3,0,0]=4 464 B12R1.120 CC(C(C)c1ccco1)C(O)=O Amb18199302 [0,1,0,0,0,0|3,0,0]=4 465 B12R1.120 CC(C(C)c1ccoc1)C(O)=O Amb25827964 [0,1,0,0,0,0|3,0,0]=4 466 B12R1.120 CC(C(F)C(O)=O)c1ccc[s]1 Amb24569308 [0,1,0,0,0,0|3,0,0]=4 467 B12R1.120 CC(C(O)c1ccc[s]1)C(O)=O Amb18990634 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.120 CC([C@H](N)C(O)=O)c1c[nH]c[n]1 Amb24365920 [0,1,0,0,0,0|0,0,2]=3 469 B12R1.120 CC(c1c[nH]cn1)C(C(=O)O)N Amb2099484 [0,1,0,0,0,0|0,0,2]=3 470 B12R1.120 C[C@@H]([C@H](N)C(O)=O)c1c[nH]c[n]1 Amb19890913 [0,1,0,0,0,0|0,0,2]=3 471 B12R1.120 C[C@H]([C@@H](C)c1c[nH]c[n]1)C(O)=O Amb24745016 [0,1,0,0,0,0|1,0,2]=4 472 B12R1.120 C[C@H]([C@H](O)c1ccco1)C(O)=O Amb25784032 [0,1,0,0,0,0|3,0,0]=4 473 B12R1.120 NC(C(O)C(O)=O)c1ccc[s]1 Amb24587339 [0,1,0,0,0,0|3,0,0]=4 474 B12R1.120 NC(C(O)C(O)=O)c1ccco1 Amb25246683 [0,1,0,0,0,0|3,0,0]=4 475 B12R1.120 NC(C(O)c1c[nH]c[n]1)C(O)=O Amb18647466 [0,1,0,0,0,0|0,0,2]=3 476 B12R1.120 NC(C(O)c1c[n]c[nH]1)C(O)=O Amb24118015 [0,1,0,0,0,0|0,0,0]=1 477 B12R1.120 NC(C(O)c1c[n]c[s]1)C(O)=O Amb18821128 [0,1,0,0,0,0|1,0,0]=2 478 B12R1.120 NC(C(O)c1c[s]cc1)C(O)=O Amb25273231 [0,1,0,0,0,0|2,0,0]=3 479 B12R1.120 NC(C(O)c1ccc[s]1)C(O)=O Amb18649596 [0,1,0,0,0,0|2,0,0]=3 480 B12R1.120 NC(C(O)c1ccc[s]1)C(O)=O Amb22461724 [0,1,0,0,0,0|2,0,0]=3 481 B12R1.120 NC(C(O)c1cocc1)C(O)=O Amb24411867 [0,1,0,0,0,0|2,0,0]=3 482 B12R1.120 N[C@@H](C(O)c1c[s]cc1)C(O)=O Amb24740870 [0,1,0,0,0,0|2,0,0]=3 483 B12R1.120 N[C@@H]([C@@H](O)c1c[nH]c[n]1)C(O)=O Amb24443142 [0,1,0,0,0,0|0,0,2]=3 484 B12R1.120 N[C@@H]([C@H](O)c1[nH]cc[n]1)C(O)=O Amb24726298 [0,1,0,0,0,0|2,0,0]=3 485 B12R1.120 N[C@@H]([C@H](O)c1c[nH]c[n]1)C(O)=O Amb25321939 [0,1,0,0,0,0|0,0,2]=3 486 B12R1.120 N[C@@H]([C@H](O)c1ccco1)C(O)=O Amb25059240 [0,1,0,0,0,0|2,0,0]=3 487 B12R1.120 N[C@H]([C@@H](O)C(O)=O)c1ccc[s]1 Amb24727529 [0,1,0,0,0,0|3,0,0]=4 488 B12R1.120 N[C@H]([C@@H](O)c1c[nH]c[n]1)C(O)=O Amb25667172 [0,1,0,0,0,0|0,0,2]=3 489 B12R1.120 N[C@H]([C@H](O)c1c[nH]c[n]1)C(O)=O Amb25321938 [0,1,0,0,0,0|0,0,2]=3 490 B12R1.120 OC(=O)C(C(c1ccco1)N)C Amb17470472 [0,1,0,0,0,0|3,0,0]=4 491 B12R1.120 OC(=O)C(C(c1cccs1)N)C Amb17470675 [0,1,0,0,0,0|3,0,0]=4 492 B12R1.145 CC(C(=O)O)Cn1ccnc1C Amb2504508 [0,1,0,0,0,0|3,0,0]=4 493 B12R1.145 CC(C(=O)O)Sc1nncn1C Amb1140965 [0,1,0,0,0,0|3,0,0]=4 494 B12R1.145 CC(C(=O)O)Sc1nncn1N Amb17073813 [0,1,0,0,0,0|3,0,0]=4 495 B12R1.145 CC(C)C(N)Cc1c[n]c[n]1C Amb24367621 [0,1,0,0,0,0|2,0,1]=4 496 B12R1.145 CC(Cc1[s]ccc1Br)C(O)=O Amb18981853 [0,1,0,0,0,0|3,0,0]=4 497 B12R1.145 CC(Cc1[s]ccc1Cl)C(O)=O Amb25303584 [0,1,0,0,0,0|3,0,0]=4 498 B12R1.145 CC(Cc1cc[s]c1Cl)C(O)=O Amb25060880 [0,1,0,0,0,0|3,0,0]=4 499 B12R1.145 CN1CNC=C1CC(N)C(O)=O Amb25134684 [0,1,0,0,0,0|0,0,2]=3 500 B12R1.145 CN1CNC=C1C[C@H](N)C(O)=O Amb25300292 [0,1,0,0,0,0|0,0,2]=3 501 B12R1.145 C[n]1[n][n]cc1CC(=O)C(O)=O Amb24650147 [0,1,0,0,0,0|2,0,1]=4 502 B12R1.145 C[n]1[n][n]cc1CC(C)C(O)=O Amb24643427 [0,1,0,0,0,0|2,0,0]=3 503 B12R1.145 C[n]1[n][n]cc1\C=C(\N)/C(O)=O Amb24723336 [0,1,0,0,0,0|1,0,2]=4 504 B12R1.145 C[n]1[n]c[n]c1CC(N)C(O)=O Amb18825704 [0,1,0,0,0,0|1,0,1]=3 505 B12R1.145 C[n]1[n]c[n]c1C[C@@H](N)C(O)=O Amb25366880 [0,1,0,0,0,0|1,0,1]=3 506 B12R1.145 C[n]1[n]ccc1CC(F)C(O)=O Amb25345100 [0,1,0,0,0,0|3,0,0]=4 507 B12R1.145 C[n]1c[n][n]c1CC(N)C(O)=O Amb18825703 [0,1,0,0,0,0|1,0,0]=2 508 B12R1.145 C[n]1c[n]cc1CC(Cl)C(O)=O Amb25363196 [0,1,0,0,0,0|1,0,0]=2 509 B12R1.145 C[n]1c[n]cc1CC(N)C(O)=O Amb18647156 [0,1,0,0,0,0|0,0,0]=1 510 B12R1.145 C[n]1c[n]cc1CC(S)C(O)=O Amb25106426 [0,1,0,0,0,0|1,0,0]=2 511 B12R1.145 C[n]1c[n]cc1C[C@@H](N)C(O)=O Amb22757376 [0,1,0,0,0,0|0,0,0]=1 512 B12R1.145 C[n]1c[n]cc1\C=C(\F)/C(O)=O Amb25291868 [0,1,0,0,0,0|1,0,2]=4 513 B12R1.145 C[n]1cc[n]c1CC(C)C(O)=O Amb18826685 [0,1,0,0,0,0|3,0,0]=4 514 B12R1.145 C[n]1cc[n]c1CC(F)C(O)=O Amb25736064 [0,1,0,0,0,0|3,0,0]=4 515 B12R1.145 C[n]1cc[n]c1CC(N)C(O)=O Amb18302430 [0,1,0,0,0,0|2,0,0]=3 516 B12R1.145 C\C(=C/c1c[n]c[n]1C)\C(O)=O Amb24341640 [0,1,0,0,0,0|1,0,2]=4 517 B12R1.145 Cc1[nH]c[n]c1C[C@H](N)C(O)=O Amb25069462 [0,1,0,0,0,0|0,0,2]=3 518 B12R1.145 Cc1[n][nH]cc1CC(N)C(O)=O Amb18788970 [0,1,0,0,0,0|2,0,0]=3 519 B12R1.145 Cc1[n][n][s]c1CC(F)C(O)=O Amb25229714 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.145 Cc1[n]c[nH]c1CC(N)C(C)C Amb25667663 [0,1,0,0,0,0|2,0,1]=4 521 B12R1.145 Cc1[n]c[nH]c1CC(N)C(O)=O Amb18788969 [0,1,0,0,0,0|0,0,0]=1 522 B12R1.145 Cc1[n]c[s]c1CC(C)C(O)=O Amb25213367 [0,1,0,0,0,0|2,0,0]=3 523 B12R1.145 Cc1[n]c[s]c1CC(N)C(O)=O Amb18822033 [0,1,0,0,0,0|1,0,0]=2 524 B12R1.145 Cc1[n]cc[n]1CC(Cl)C(O)=O Amb25127408 [0,1,0,0,0,0|3,0,0]=4 525 B12R1.145 Cc1[n]cc[n]1CC(N)C(N)=O Amb18984342 [0,1,0,0,0,0|3,0,0]=4 526 B12R1.145 Cc1[n]cc[n]1CC(N)C(O)=O Amb18294531 [0,1,0,0,0,0|2,0,0]=3 527 B12R1.145 Cc1[n]cc[n]1CC(O)C(O)=O Amb24353628 [0,1,0,0,0,0|3,0,0]=4 528 B12R1.145 Cc1[s]ccc1CC(N)C(O)=O Amb25040252 [0,1,0,0,0,0|2,0,0]=3 529 B12R1.145 Cc1[s]ccc1C[C@H](N)C(O)=O Amb25780549 [0,1,0,0,0,0|2,0,0]=3 530 B12R1.145 Cc1c[n]oc1CC(C)C(O)=O Amb24754393 [0,1,0,0,0,0|3,0,0]=4 531 B12R1.145 Cc1cc[n][n]1CC(N)C(O)=O Amb25724699 [0,1,0,0,0,0|2,0,1]=4 532 B12R1.145 Cc1cc[s]c1CC(S)C(O)=O Amb18288971 [0,1,0,0,0,0|3,0,0]=4 533 B12R1.145 Cc1cc[s]c1C[C@@H](N)C(O)=O Amb19069332 [0,1,0,0,0,0|2,0,0]=3 534 B12R1.145 Cc1ccc[n]1CC(N)C(O)=O Amb18826692 [0,1,0,0,0,0|3,0,0]=4 535 B12R1.145 Cc1ccoc1CC(C)C(O)=O Amb25304965 [0,1,0,0,0,0|3,0,0]=4 536 B12R1.145 Cc1ccoc1CC(F)C(O)=O Amb25034941 [0,1,0,0,0,0|3,0,0]=4 537 B12R1.145 Cc1ccoc1CC(N)C(O)=O Amb18826171 [0,1,0,0,0,0|2,0,0]=3 538 B12R1.145 Cc1ccoc1C[C@H](N)C(O)=O Amb24492875 [0,1,0,0,0,0|2,0,0]=3 539 B12R1.145 Cc1cocc1CC(N)C(O)=O Amb18826156 [0,1,0,0,0,0|2,0,0]=3 540 B12R1.145 Cc1nonc1CC(C(=O)O)N Amb10610297 [0,1,0,0,0,0|1,0,1]=3 541 B12R1.145 Cc1occc1C[C@@H](N)C(O)=O Amb25124338 [0,1,0,0,0,0|2,0,0]=3 542 B12R1.145 Cn1cncc1C[C@@H](C(=O)O)N Amb16226985 [0,1,0,0,0,0|0,0,0]=1 543 B12R1.145 NC(=O)C(N)Cc1[s]ccc1Br Amb25131511 [0,1,0,0,0,0|3,0,0]=4 544 B12R1.145 NC(=O)C(N)Cc1[s]ccc1Cl Amb25738868 [0,1,0,0,0,0|3,0,0]=4 545 B12R1.145 NC(=O)C(N)Cc1cc[s]c1Br Amb25181478 [0,1,0,0,0,0|3,0,0]=4 546 B12R1.145 NC(CC1=CNNC1=O)C(O)=O Amb24604896 [0,1,0,0,0,0|2,0,1]=4 547 B12R1.145 NC(CC1=NSNC1=O)C(O)=O Amb24365948 [0,1,0,0,0,0|1,0,2]=4 548 B12R1.145 NC(C[n]1[n]ccc1Br)C(O)=O Amb24718713 [0,1,0,0,0,0|2,0,1]=4 549 B12R1.145 NC(C[n]1[n]ccc1Cl)C(O)=O Amb24484306 [0,1,0,0,0,0|2,0,1]=4 550 B12R1.145 NC(Cc1[nH]c[n]c1Cl)C(O)=O Amb25051372 [0,1,0,0,0,0|0,0,0]=1 551 B12R1.145 NC(Cc1[nH]c[n]c1F)C(O)=O Amb24602470 [0,1,0,0,0,0|0,0,0]=1 552 B12R1.145 NC(Cc1[n][nH]cc1Cl)C(O)=O Amb25149860 [0,1,0,0,0,0|2,0,1]=4 553 B12R1.145 NC(Cc1[n]c[nH]c1S)C(O)=O Amb24455117 [0,1,0,0,0,0|0,0,2]=3 554 B12R1.145 NC(Cc1[n]cc[n]1O)C(O)=O Amb25667062 [0,1,0,0,0,0|2,0,0]=3 555 B12R1.145 NC(Cc1c[n][n][n]1O)C(O)=O Amb24445540 [0,1,0,0,0,0|1,0,0]=2 556 B12R1.145 NC(Cc1c[n]c[n]1S)C(O)=O Amb25124770 [0,1,0,0,0,0|0,0,0]=1 557 B12R1.145 NC(Cc1cc[s]c1Br)C(O)=O Amb25795560 [0,1,0,0,0,0|2,0,0]=3 558 B12R1.145 NC(Cc1cc[s]c1Cl)C(O)=O Amb24399335 [0,1,0,0,0,0|2,0,0]=3 559 B12R1.145 N[C@@H](CC1=CNOC1=O)C(O)=O Amb24602394 [0,1,0,0,0,0|2,0,1]=4 560 B12R1.145 N[C@@H](CC1=CONC1=O)C(O)=O Amb24659818 [0,1,0,0,0,0|2,0,1]=4 561 B12R1.145 N[C@@H](Cc1[nH]c[n]c1S)C(O)=O Amb24431503 [0,1,0,0,0,0|0,0,0]=1 562 B12R1.145 N[C@@H](Cc1[n]c[nH]c1Cl)C(O)=O Amb25072539 [0,1,0,0,0,0|0,0,2]=3 563 B12R1.145 N[C@@H](Cc1[s]ccc1Br)C(O)=O Amb24615699 [0,1,0,0,0,0|2,0,0]=3 564 B12R1.145 N[C@@H](Cc1[s]ccc1Cl)C(O)=O Amb25267667 [0,1,0,0,0,0|2,0,0]=3 565 B12R1.145 N[C@@H](Cc1[s]ccc1I)C(O)=O Amb25364122 [0,1,0,0,0,0|2,0,0]=3 566 B12R1.145 N[C@@H](Cc1cc[s]c1Br)C(O)=O Amb25335861 [0,1,0,0,0,0|2,0,0]=3 567 B12R1.145 N[C@@H](Cc1cc[s]c1Cl)C(O)=O Amb24350624 [0,1,0,0,0,0|2,0,0]=3 568 B12R1.145 N[C@@H](Cc1occc1Br)C(O)=O Amb25042979 [0,1,0,0,0,0|2,0,0]=3 569 B12R1.145 N[C@H](CC1=CNOC1=O)C(O)=O Amb24398627 [0,1,0,0,0,0|2,0,1]=4 570 B12R1.145 N[C@H](Cc1[nH]c[n]c1S)C(O)=O Amb25261624 [0,1,0,0,0,0|0,0,0]=1 571 B12R1.145 N[C@H](Cc1[n]o[n]c1O)C(O)=O Amb25816187 [0,1,0,0,0,0|1,0,1]=3 572 B12R1.145 N[C@H](Cc1[s]ccc1I)C(O)=O Amb25148737 [0,1,0,0,0,0|2,0,0]=3 573 B12R1.145 N[C@H](Cc1c[s]cc1Br)C(O)=O Amb25047496 [0,1,0,0,0,0|2,0,0]=3 574 B12R1.145 N[C@H](Cc1cc[s]c1Br)C(O)=O Amb24600296 [0,1,0,0,0,0|2,0,0]=3 575 B12R1.145 N[C@H](Cc1co[n]c1O)C(O)=O Amb25045563 [0,1,0,0,0,0|2,0,0]=3 576 B12R1.145 N[C@H](Cc1occc1Br)C(O)=O Amb25763211 [0,1,0,0,0,0|2,0,0]=3 577 B12R1.145 N[n]1c[n][n]c1SC(F)C(O)=O Amb25705615 [0,1,0,0,0,0|3,0,0]=4 578 B12R1.145 Nc1[n]cc[n]1C[C@H](N)C(O)=O Amb24631911 [0,1,0,0,0,0|2,0,0]=3 579 B12R1.145 OC(=O)C(F)Cc1[s]ccc1Cl Amb25200745 [0,1,0,0,0,0|3,0,0]=4 580 B12R1.145 OC(=O)C(O)Cc1[s]ccc1Br Amb25071900 [0,1,0,0,0,0|3,0,0]=4 581 B12R1.145 OC(=O)C(S)Cc1cc[s]c1Cl Amb25101106 [0,1,0,0,0,0|3,0,0]=4 582 B12R1.266 NC(Cc1[nH]cc[n]1)P(O)(O)=O Amb24427714 [0,1,0,0,0,0|3,0,0]=4 583 B12R1.266 NC(Cc1c[nH]c[n]1)P(O)(O)=O Amb25843961 [0,1,0,0,0,0|1,0,2]=4 584 B12R1.266 NC(Cc1c[n]c[nH]1)C(F)(F)F Amb22899590 [0,1,0,0,0,0|2,0,1]=4 585 B12R1.298 CCC(C(=O)O)Cc1cscc1 Amb17605845 [0,1,0,0,0,0|3,0,0]=4 586 B12R1.298 CN[C@@H](Cc1c[nH]c[n]1)C(O)=O Amb22745300 [0,1,0,0,0,0|0,0,2]=3 587 B12R1.298 N#CC(C(=O)O)Cc1ccco1 Amb17090105 [0,1,0,0,0,0|2,0,1]=4 588 B12R1.298 N#CC(C(=O)O)Cc1cccs1 Amb17090106 [0,1,0,0,0,0|2,0,1]=4 589 B12R1.1373 CC(C)(Cc1c[n][n][s]1)C(O)=O Amb24637319 [0,1,0,0,0,0|3,0,0]=4 590 B12R1.1373 CC(C)(Cc1c[n]c[s]1)C(O)=O Amb25751685 [0,1,0,0,0,0|2,0,0]=3 591 B12R1.1373 CC(C)(Cc1c[s]c[n]1)C(O)=O Amb18300537 [0,1,0,0,0,0|2,0,1]=4 592 B12R1.1373 CC(C)(Cc1cc[nH]c1)C(O)=O Amb18563805 [0,1,0,0,0,0|2,0,1]=4 593 B12R1.1373 CC(C)(Cc1cc[s]c1)C(O)=O Amb18302688 [0,1,0,0,0,0|3,0,0]=4 594 B12R1.1373 CC(C)(Cc1ccc[s]1)C(O)=O Amb18999501 [0,1,0,0,0,0|3,0,0]=4 595 B12R1.1373 CC(C)(Cc1ccco1)C(O)=O Amb18303224 [0,1,0,0,0,0|3,0,0]=4 596 B12R1.1373 CC(C)(Cc1ccoc1)C(O)=O Amb25336532 [0,1,0,0,0,0|3,0,0]=4 597 B12R1.1373 CC(C)(Sc1[nH]c[n][n]1)C(O)=O Amb18976785 [0,1,0,0,0,0|3,0,0]=4 598 B12R1.1373 CC(F)(C[n]1c[n]c[n]1)C(O)=O Amb24664438 [0,1,0,0,0,0|2,0,1]=4 599 B12R1.1373 CC(N)(C[n]1c[n]c[n]1)C(N)=O Amb18984353 [0,1,0,0,0,0|2,0,1]=4 600 B12R1.1373 CC(N)(C[n]1c[n]c[n]1)C(O)=O Amb18984352 [0,1,0,0,0,0|1,0,1]=3 601 B12R1.1373 CC(N)(C[n]1c[n]c[n]1)C(O)=O Amb24271208 [0,1,0,0,0,0|1,0,1]=3 602 B12R1.1373 CC(N)(C[n]1c[n]cc1)C(N)=O Amb18294530 [0,1,0,0,0,0|3,0,0]=4 603 B12R1.1373 CC(N)(C[n]1c[n]cc1)C(O)=O Amb18294519 [0,1,0,0,0,0|2,0,0]=3 604 B12R1.1373 CC(N)(C[n]1ccc[n]1)C(O)=O Amb18984348 [0,1,0,0,0,0|2,0,1]=4 605 B12R1.1373 CC(N)(Cc1c[nH]c[n]1)C(O)=O Amb18647159 [0,1,0,0,0,0|0,0,2]=3 606 B12R1.1373 CC(N)(Cc1c[nH]c[n]1)C(O)=O Amb22800481 [0,1,0,0,0,0|0,0,2]=3 607 B12R1.1373 CC(N)(Cc1c[n]c[nH]1)C(O)=O Amb22362865 [0,1,0,0,0,0|0,0,0]=1 608 B12R1.1373 CC(N)(Cc1cc[s]c1)C(O)=O Amb18649169 [0,1,0,0,0,0|2,0,0]=3 609 B12R1.1373 CC(N)(Cc1ccc[nH]1)C(O)=O Amb24402356 [0,1,0,0,0,0|1,0,0]=2 610 B12R1.1373 C[C@](N)(Cc1ccc[s]1)C(O)=O Amb24711512 [0,1,0,0,0,0|2,0,0]=3 611 B12R1.1373 NC(F)(Cc1c[n]c[nH]1)C(O)=O Amb24120402 [0,1,0,0,0,0|0,0,0]=1 612 B12R1.1373 OC(=O)C(Cc1ccco1)(N)C Amb17232695 [0,1,0,0,0,0|2,0,0]=3 613 B12R1.1373 OC(=O)C(Cc1cccs1)(N)C Amb17234195 [0,1,0,0,0,0|2,0,0]=3 614 B12R1.2212 NC(CC1(Cl)C=NC=N1)C(O)=O Amb24358021 [0,1,0,0,0,0|0,0,2]=3 615 B12R1.2212 NC(CC1(F)C=NC=N1)C(O)=O Amb24732222 [0,1,0,0,0,0|0,0,2]=3 616 B10R0.26 CCNC(=O)C[C@@H](N)C(O)=O Amb25382161 [0,0,1,0,0,0|2,0,1]=4 617 B10R0.26 NC(CC(=O)NCO)C(O)=O Amb25386046 [0,0,1,0,0,0|2,0,1]=4 618 B12R2.100 NC1Cc2[nH]c[n]c2NC1=O Amb25830105 [0,0,0,1,0,0|1,0,0]=2 619 B12R2.100 Nc1cc2[nH]c[n]c2cc1O Amb18202148 [0,0,0,1,0,0|1,0,2]=4 620 B12R2.134 NC1C(NC1=O)c2ccco2 Amb18201437 [0,0,0,1,0,0|3,0,0]=4 621 B12R2.134 N[C@@H]1[C@@H](NC1=O)c2ccco2 Amb24608909 [0,0,0,1,0,0|3,0,0]=4 622 B12R2.134 OC1C(NC1=O)c2c[n]c[s]2 Amb25292422 [0,0,0,1,0,0|3,0,0]=4 623 B12R2.252 OC(=O)C1CC2N=CNC2C1 Amb18831028 [0,0,0,1,0,0|1,0,2]=4 624 B12R2.252 OC(=O)C1C[n]2[n][n]cc2S1 Amb25717978 [0,0,0,1,0,0|3,0,0]=4 625 B12R2.252 OC(=O)C1Cc2[nH][n]cc2C1 Amb18201455 [0,0,0,1,0,0|3,0,0]=4 626 B12R2.252 OC(=O)C1Cc2[n][nH][n]c2C1 Amb24727624 [0,0,0,1,0,0|2,0,1]=4 627 B12R2.252 OC(=O)C1Cc2[n][n]c[n]2C1 Amb25825795 [0,0,0,1,0,0|2,0,0]=3 628 B12R2.252 OC(=O)C1Cc2[n]c[nH]c2C1 Amb18831212 [0,0,0,1,0,0|1,0,0]=2 629 B12R2.252 OC(=O)C1Cc2[n]cc[n]2C1 Amb18201435 [0,0,0,1,0,0|3,0,0]=4 630 B12R2.252 OC(=O)C1Cc2c(C1)ccs2 Amb10603806 [0,0,0,1,0,0|3,0,0]=4 631 B12R2.252 OC(=O)C1Cc2c[n][n][n]2C1 Amb25249353 [0,0,0,1,0,0|2,0,0]=3 632 B12R2.252 OC(=O)C1Cc2c[n]c[n]2C1 Amb18201412 [0,0,0,1,0,0|1,0,0]=2 633 B12R2.252 OC(=O)C1Cc2c[s]cc2C1 Amb24365365 [0,0,0,1,0,0|3,0,0]=4 634 B12R2.252 OC(=O)C1Cc2cc[nH]c2C1 Amb25248942 [0,0,0,1,0,0|2,0,0]=3 635 B12R2.252 OC(=O)C1Cc2cc[n][n]2C1 Amb18201417 [0,0,0,1,0,0|3,0,0]=4 636 B12R2.252 OC(=O)C1Cc2ccoc2C1 Amb25248943 [0,0,0,1,0,0|3,0,0]=4 637 B12R2.252 OC(=O)C1Cc2cocc2C1 Amb24079325 [0,0,0,1,0,0|3,0,0]=4 638 B12R2.252 OC(=O)C1Cc2o[n]cc2C1 Amb18201198 [0,0,0,1,0,0|3,0,0]=4 639 B12R2.252 OC(=O)c1[n]c2[n]c[nH]c2[s]1 Amb18199119 [0,0,0,1,0,0|1,0,2]=4 640 B12R2.252 OC(=O)c1c[n]2c[n]cc2[s]1 Amb18199330 [0,0,0,1,0,0|2,0,1]=4 641 B12R2.252 OC(=O)c1cc2[n]c[nH]c2[nH]1 Amb18201805 [0,0,0,1,0,0|2,0,1]=4 642 B12R2.252 OC(=O)c1cc2[n]c[nH]c2[s]1 Amb18199318 [0,0,0,1,0,0|2,0,1]=4 643 B12R2.252 OC(=O)c1cc2[n]c[nH]c2o1 Amb18201491 [0,0,0,1,0,0|2,0,1]=4 644 B12R2.252 OC(=O)c1cc2[s]c[n]c2[nH]1 Amb18199332 [0,0,0,1,0,0|1,0,2]=4 645 B12R2.252 OC(=O)c1cc2oc[n]c2[nH]1 Amb18201500 [0,0,0,1,0,0|1,0,2]=4 646 B12R2.1354 OC(=O)C1CC1c2c[n]c[nH]2 Amb25758590 [0,0,0,1,0,0|1,0,0]=2 647 B12R2.1354 OC(=O)C1CC1c2c[n]c[s]2 Amb24488090 [0,0,0,1,0,0|2,0,0]=3 648 B12R2.1354 OC(=O)C1CC1c2ccc[nH]2 Amb25376419 [0,0,0,1,0,0|2,0,0]=3 649 B12R2.1354 OC(=O)[C@@H]1C[C@@H]1c2c[nH]c[n]2 Amb25236444 [0,0,0,1,0,0|1,0,2]=4 650 B12R2.1354 OC(=O)[C@H]1C[C@@H]1c2c[n]c[s]2 Amb24654940 [0,0,0,1,0,0|2,0,0]=3 651 B12R2.1354 OC(=O)[C@H]1C[C@@H]1c2cc[s]c2 Amb24552420 [0,0,0,1,0,0|3,0,0]=4 652 B12R2.1354 OC(=O)[C@H]1C[C@@H]1c2ccc[s]2 Amb24552940 [0,0,0,1,0,0|3,0,0]=4 653 B12R2.1354 OC(=O)[C@H]1C[C@H]1c2c[n]c[nH]2 Amb24644145 [0,0,0,1,0,0|1,0,0]=2 654 B10R1.23 C=C(C(O)=O)c1ccc[nH]1 Amb24502435 [0,0,0,0,1,0|2,0,1]=4 655 B10R1.23 CC(=C)C(N)c1c[n]c[s]1 Amb25762480 [0,0,0,0,1,0|3,0,0]=4 656 B10R1.23 CC(=O)C(N)c1cc[nH]c1 Amb25042145 [0,0,0,0,1,0|2,0,1]=4 657 B10R1.23 CC(=O)C(N)c1ccc[s]1 Amb25836886 [0,0,0,0,1,0|3,0,0]=4 658 B10R1.23 CC(=O)C(O)c1ccc[nH]1 Amb24465067 [0,0,0,0,1,0|3,0,0]=4 659 B10R1.23 CC(C(O)=O)C=1CC=CC1 Amb24480439 [0,0,0,0,1,0|3,0,0]=4 660 B10R1.23 CC(C(O)=O)[n]1c[n]c[n]1 Amb21954261 [0,0,0,0,1,0|2,0,1]=4 661 B10R1.23 CC(C(O)=O)c1[nH]cc[n]1 Amb18202882 [0,0,0,0,1,0|3,0,0]=4 662 B10R1.23 CC(C(O)=O)c1[n]c[n][s]1 Amb18830504 [0,0,0,0,1,0|2,0,1]=4 663 B10R1.23 CC(C(O)=O)c1c[nH]c[n]1 Amb18202883 [0,0,0,0,1,0|1,0,2]=4 664 B10R1.23 CC(C(O)=O)c1c[n][n][nH]1 Amb24579280 [0,0,0,0,1,0|2,0,0]=3 665 B10R1.23 CC(C(O)=O)c1c[n][n][s]1 Amb18645002 [0,0,0,0,1,0|3,0,0]=4 666 B10R1.23 CC(C(O)=O)c1c[n]c[s]1 Amb23580683 [0,0,0,0,1,0|2,0,0]=3 667 B10R1.23 CC(C(O)=O)c1cc[nH]c1 Amb18064932 [0,0,0,0,1,0|2,0,1]=4 668 B10R1.23 CC(C(O)=O)c1cc[n][s]1 Amb18830642 [0,0,0,0,1,0|3,0,0]=4 669 B10R1.23 CC(C(O)=O)c1cc[s]c1 Amb18284449 [0,0,0,0,1,0|3,0,0]=4 670 B10R1.23 CC(C(O)=O)c1ccc[nH]1 Amb18643379 [0,0,0,0,1,0|2,0,0]=3 671 B10R1.23 CC(C(O)=O)c1coc[n]1 Amb18202773 [0,0,0,0,1,0|2,0,1]=4 672 B10R1.23 CC(C)C(N)c1c[n]c[nH]1 Amb24524688 [0,0,0,0,1,0|2,0,1]=4 673 B10R1.23 CC(O)C(N)c1[nH]c[n][n]1 Amb18953942 [0,0,0,0,1,0|2,0,1]=4 674 B10R1.23 CC(n1cncn1)C(=O)O Amb1129274 [0,0,0,0,1,0|2,0,1]=4 675 B10R1.23 C[C@@H](C(O)=O)[n]1c[n]cc1 Amb18202909 [0,0,0,0,1,0|3,0,0]=4 676 B10R1.23 C[C@@H](O)[C@@H](N)c1ccc[nH]1 Amb25840857 [0,0,0,0,1,0|2,0,1]=4 677 B10R1.23 C[C@H](C(O)=O)c1ccc[s]1 Amb24710020 [0,0,0,0,1,0|3,0,0]=4 678 B10R1.23 C[C@H](O)[C@H](N)c1ccc[nH]1 Amb24669779 [0,0,0,0,1,0|2,0,1]=4 679 B10R1.23 NC(=O)C(Cl)c1c[n]c[s]1 Amb24654411 [0,0,0,0,1,0|3,0,0]=4 680 B10R1.23 NC(=O)C(N)c1c[s]cc1 Amb18949670 [0,0,0,0,1,0|3,0,0]=4 681 B10R1.23 NC(=O)C(O)c1c[n]c[s]1 Amb24478435 [0,0,0,0,1,0|3,0,0]=4 682 B10R1.23 NC(=O)C(c1ccco1)N Amb17334171 [0,0,0,0,1,0|3,0,0]=4 683 B10R1.23 NC(=O)C(c1cccs1)N Amb17334394 [0,0,0,0,1,0|3,0,0]=4 684 B10R1.23 NC(=O)[C@@H](N)c1c[s]cc1 Amb24402944 [0,0,0,0,1,0|3,0,0]=4 685 B10R1.23 NC(=O)[C@H](N)c1ccc[s]1 Amb25197626 [0,0,0,0,1,0|3,0,0]=4 686 B10R1.23 NC(C(O)=O)c1[nH][n][n][n]1 Amb23594541 [0,0,0,0,1,0|2,0,0]=3 687 B10R1.23 NC(C(O)=O)c1[n]c[s][n]1 Amb18830399 [0,0,0,0,1,0|2,0,1]=4 688 B10R1.23 NC(C(O)=O)c1[n]cc[s]1 Amb25761284 [0,0,0,0,1,0|2,0,1]=4 689 B10R1.23 NC(C(O)=O)c1c[nH]c[n]1 Amb18202749 [0,0,0,0,1,0|0,0,2]=3 690 B10R1.23 NC(C(O)=O)c1c[n][s]c1 Amb25101327 [0,0,0,0,1,0|2,0,0]=3 691 B10R1.23 NC(C(O)=O)c1c[n]c[s]1 Amb18830497 [0,0,0,0,1,0|1,0,0]=2 692 B10R1.23 NC(C(O)=O)c1c[n]o[n]1 Amb18202493 [0,0,0,0,1,0|1,0,1]=3 693 B10R1.23 NC(C(O)=O)c1c[s][n][n]1 Amb24060289 [0,0,0,0,1,0|2,0,1]=4 694 B10R1.23 NC(C(O)=O)c1c[s]c[n]1 Amb18645003 [0,0,0,0,1,0|1,0,1]=3 695 B10R1.23 NC(C(O)=O)c1cc[nH]c1 Amb18862405 [0,0,0,0,1,0|1,0,1]=3 696 B10R1.23 NC(C(O)=O)c1cc[n][s]1 Amb18199897 [0,0,0,0,1,0|2,0,0]=3 697 B10R1.23 NC(C(O)=O)c1cc[n]o1 Amb25843218 [0,0,0,0,1,0|2,0,0]=3 698 B10R1.23 NC(C(O)=O)c1cc[s][n]1 Amb24467851 [0,0,0,0,1,0|2,0,1]=4 699 B10R1.23 NC(C(O)=O)c1ccc[nH]1 Amb18831925 [0,0,0,0,1,0|1,0,0]=2 700 B10R1.23 NC(C1C=CCN1)C(O)=O Amb25344825 [0,0,0,0,1,0|1,0,2]=4 701 B10R1.23 NC(c1c[s]cc1)P(O)=O Amb25731986 [0,0,0,0,1,0|3,0,0]=4 702 B10R1.23 NC(c1ccc[s]1)P(O)=O Amb25375779 [0,0,0,0,1,0|3,0,0]=4 703 B10R1.23 N[C@@H](C(O)=O)c1[nH]cc[n]1 Amb24359279 [0,0,0,0,1,0|2,0,0]=3 704 B10R1.23 N[C@@H](C(O)=O)c1c[n][s]c1 Amb24702828 [0,0,0,0,1,0|2,0,0]=3 705 B10R1.23 N[C@@H](C(O)=O)c1cc[n]o1 Amb24332272 [0,0,0,0,1,0|2,0,0]=3 706 B10R1.23 N[C@@H](C(O)=O)c1cc[s]c1 Amb22750704 [0,0,0,0,1,0|2,0,0]=3 707 B10R1.23 N[C@@H](C(O)=O)c1ccc[s]1 Amb22747193 [0,0,0,0,1,0|2,0,0]=3 708 B10R1.23 N[C@@H](C(O)=O)c1ccco1 Amb25068121 [0,0,0,0,1,0|2,0,0]=3 709 B10R1.23 N[C@@H](C(O)=O)c1ccoc1 Amb25684655 [0,0,0,0,1,0|2,0,0]=3 710 B10R1.23 N[C@H](C(O)=O)c1[n]cc[s]1 Amb25705057 [0,0,0,0,1,0|2,0,1]=4 711 B10R1.23 N[C@H](C(O)=O)c1c[nH]c[n]1 Amb24746747 [0,0,0,0,1,0|0,0,2]=3 712 B10R1.23 N[C@H](C(O)=O)c1cc[nH]c1 Amb25063304 [0,0,0,0,1,0|1,0,1]=3 713 B10R1.23 OC(=O)C(=O)c1c[n]c[s]1 Amb18830659 [0,0,0,0,1,0|2,0,1]=4 714 B10R1.23 OC(=O)C(=O)c1ccc[nH]1 Amb17593524 [0,0,0,0,1,0|2,0,1]=4 715 B10R1.23 OC(=O)C(Br)c1cc[n]o1 Amb25123809 [0,0,0,0,1,0|3,0,0]=4 716 B10R1.23 OC(=O)C(Br)c1ccc[s]1 Amb18658431 [0,0,0,0,1,0|3,0,0]=4 717 B10R1.23 OC(=O)C(Cl)c1cc[nH]c1 Amb18563480 [0,0,0,0,1,0|2,0,1]=4 718 B10R1.23 OC(=O)C(F)[n]1c[n]c[n]1 Amb24428569 [0,0,0,0,1,0|2,0,1]=4 719 B10R1.23 OC(=O)C(F)c1[nH]c[n][n]1 Amb24699180 [0,0,0,0,1,0|2,0,0]=3 720 B10R1.23 OC(=O)C(F)c1c[s]c[n]1 Amb25767685 [0,0,0,0,1,0|2,0,1]=4 721 B10R1.23 OC(=O)C(F)c1ccco1 Amb25825778 [0,0,0,0,1,0|3,0,0]=4 722 B10R1.23 OC(=O)C(O)c1[nH]c[n][n]1 Amb24386165 [0,0,0,0,1,0|2,0,0]=3 723 B10R1.23 OC(=O)C(O)c1[nH]cc[n]1 Amb25082992 [0,0,0,0,1,0|3,0,0]=4 724 B10R1.23 OC(=O)C(O)c1c[nH]c[n]1 Amb24479126 [0,0,0,0,1,0|1,0,2]=4 725 B10R1.23 OC(=O)C(O)c1c[nH]cc1 Amb18862454 [0,0,0,0,1,0|2,0,1]=4 726 B10R1.23 OC(=O)C(O)c1c[n]oc1 Amb18202500 [0,0,0,0,1,0|3,0,0]=4 727 B10R1.23 OC(=O)C(O)c1c[s]c[n]1 Amb18830402 [0,0,0,0,1,0|2,0,1]=4 728 B10R1.23 OC(=O)C(O)c1c[s]cc1 Amb18952015 [0,0,0,0,1,0|3,0,0]=4 729 B10R1.23 OC(=O)C(O)c1cc[n][s]1 Amb18830401 [0,0,0,0,1,0|3,0,0]=4 730 B10R1.23 OC(=O)C(O)c1ccc[nH]1 Amb24480945 [0,0,0,0,1,0|2,0,0]=3 731 B10R1.23 OC(=O)C(c1ccco1)C Amb17087431 [0,0,0,0,1,0|3,0,0]=4 732 B10R1.23 OC(=O)C(c1cccs1)C Amb10844027 [0,0,0,0,1,0|3,0,0]=4 733 B10R1.23 OC(=O)C(c1cccs1)Cl Amb17233234 [0,0,0,0,1,0|3,0,0]=4 734 B10R1.23 OC(=O)C(c1cccs1)N Amb1840251 [0,0,0,0,1,0|2,0,0]=3 735 B10R1.23 OC(=O)C(c1cccs1)O Amb17232241 [0,0,0,0,1,0|3,0,0]=4 736 B10R1.23 OC(=O)C(c1cocc1)O Amb10810585 [0,0,0,0,1,0|3,0,0]=4 737 B10R1.23 OC(=O)C(c1cscc1)N Amb2425141 [0,0,0,0,1,0|2,0,0]=3 738 B10R1.23 OC(=O)C(n1cncc1)C Amb1133434 [0,0,0,0,1,0|3,0,0]=4 739 B10R1.23 OC(=O)[C@@H](O)c1c[s]cc1 Amb25074325 [0,0,0,0,1,0|3,0,0]=4 740 B10R1.23 OC(=O)[C@@H](c1cccs1)C Amb10844019 [0,0,0,0,1,0|3,0,0]=4 741 B10R1.23 OC(=O)[C@@H](c1cscc1)C Amb10844020 [0,0,0,0,1,0|3,0,0]=4 742 B10R1.23 OC(=O)[C@H](O)c1ccco1 Amb24445445 [0,0,0,0,1,0|3,0,0]=4 743 B10R1.23 OC(=O)[C@H](c1cscc1)C Amb10844030 [0,0,0,0,1,0|3,0,0]=4 744 B10R1.23 OC(=O)[C@H](c1cscc1)N Amb16232233 [0,0,0,0,1,0|2,0,0]=3 745 B10R1.23 OC(C(O)=O)[n]1c[n]cc1 Amb21953001 [0,0,0,0,1,0|3,0,0]=4 746 B12R1.43 BrC(C(=O)C)Cc1ccncc1 Amb17507815 [0,0,0,0,0,1|3,0,0]=4 747 B12R1.43 Br[C@@H](C(=O)O)Cc1ccccc1 Amb17610062 [0,0,0,0,0,1|3,0,0]=4 748 B12R1.43 Br[C@H](C(=O)O)Cc1ccccc1 Amb17610063 [0,0,0,0,0,1|3,0,0]=4 749 B12R1.43 CC(=C)C(N)Cc1cc[n]cc1 Amb25779646 [0,0,0,0,0,1|3,0,0]=4 750 B12R1.43 CC(=O)C(C)Cc1cc[n]cc1 Amb25303664 [0,0,0,0,0,1|3,0,0]=4 751 B12R1.43 CC(=O)C(Cc1cccnc1)Br Amb17507814 [0,0,0,0,0,1|3,0,0]=4 752 B12R1.43 CC(=O)C(Cc1cccnc1)Cl Amb17507768 [0,0,0,0,0,1|3,0,0]=4 753 B12R1.43 CC(=O)[C@@H](C)Cc1cc[n]cc1 Amb25358977 [0,0,0,0,0,1|3,0,0]=4 754 B12R1.43 CC(=O)[C@H](C)Cc1cc[n]cc1 Amb24380859 [0,0,0,0,0,1|3,0,0]=4 755 B12R1.43 CC(C(=O)O)Sc1cnccn1 Amb2446097 [0,0,0,0,0,1|2,0,1]=4 756 B12R1.43 CC(Cc1c[n]c[n]c1)C(O)=O Amb24375035 [0,0,0,0,0,1|1,0,1]=3 757 B12R1.43 CC(Nc1c[n]c[n]c1)C(O)=O Amb18270384 [0,0,0,0,0,1|2,0,1]=4 758 B12R1.43 CC(Nc1cc[n][n]c1)C(O)=O Amb25261344 [0,0,0,0,0,1|3,0,0]=4 759 B12R1.43 CC(Nc1cc[n]c[n]1)C(O)=O Amb18973870 [0,0,0,0,0,1|2,0,1]=4 760 B12R1.43 CC(Nc1ccc[n]c1)C(O)=O Amb18270393 [0,0,0,0,0,1|3,0,0]=4 761 B12R1.43 CC(OC1=CC=CNN1)C(O)=O Amb25775008 [0,0,0,0,0,1|3,0,0]=4 762 B12R1.43 CC(Sc1cc[n]c[n]1)C(O)=O Amb18973866 [0,0,0,0,0,1|2,0,1]=4 763 B12R1.43 C[C@@H](C(=O)O)Cc1ccccc1 Amb10844541 [0,0,0,0,0,1|3,0,0]=4 764 B12R1.43 C[C@@H](C(=O)O)Nc1ccncc1 Amb10604191 [0,0,0,0,0,1|3,0,0]=4 765 B12R1.43 C[C@H](C(=O)O)Cc1ccccc1 Amb10844540 [0,0,0,0,0,1|3,0,0]=4 766 B12R1.43 C[C@H](C(=O)O)Nc1cnccn1 Amb16233069 [0,0,0,0,0,1|2,0,1]=4 767 B12R1.43 C[C@H](Nc1c[n]cc[n]1)C(O)=O Amb25829931 [0,0,0,0,0,1|2,0,1]=4 768 B12R1.43 C[C@H](Nc1ccc[n]c1)C(O)=O Amb25320831 [0,0,0,0,0,1|3,0,0]=4 769 B12R1.43 ClC(C(=O)C)Cc1ccncc1 Amb17507769 [0,0,0,0,0,1|3,0,0]=4 770 B12R1.43 ClC(C(=O)O)Cc1ccccc1 Amb17204339 [0,0,0,0,0,1|3,0,0]=4 771 B12R1.43 NC(=O)C(Br)Cc1c[n]c[n]c1 Amb25188402 [0,0,0,0,0,1|2,0,1]=4 772 B12R1.43 NC(=O)C(Br)Cc1ccc[n]c1 Amb25741625 [0,0,0,0,0,1|3,0,0]=4 773 B12R1.43 NC(=O)C(N)Cc1ccccc1 Amb20240621 [0,0,0,0,0,1|3,0,0]=4 774 B12R1.43 NC(C(=O)C)Cc1ccccc1 Amb1099237 [0,0,0,0,0,1|3,0,0]=4 775 B12R1.43 NC(CC=1CCCCC1)C(O)=O Amb22233021 [0,0,0,0,0,1|2,0,1]=4 776 B12R1.43 NC(C[13c]1[13cH][13cH][13cH][13cH][13cH]1)C(O)=O Amb22367486 [0,0,0,0,0,1|2,0,0]=3 777 B12R1.43 NC(Cc1[n][n]c[n][n]1)C(O)=O Amb25215585 [0,0,0,0,0,1|1,0,1]=3 778 B12R1.43 NC(Cc1[n]ccc[n]1)C(O)=O Amb18995251 [0,0,0,0,0,1|1,0,1]=3 779 B12R1.43 NC(Cc1c[n][n]c[n]1)C(O)=O Amb18826715 [0,0,0,0,0,1|0,0,1]=2 780 B12R1.43 NC(Cc1c[n]c[n][n]1)C(O)=O Amb25174569 [0,0,0,0,0,1|0,0,1]=2 781 B12R1.43 NC(Cc1c[n]c[n]c1)C(O)=O Amb18302429 [0,0,0,0,0,1|0,0,1]=2 782 B12R1.43 NC(Cc1c[n]cc[n]1)C(O)=O Amb19000859 [0,0,0,0,0,1|0,0,1]=2 783 B12R1.43 NC(Cc1cc[n]c[n]1)C(O)=O Amb19000856 [0,0,0,0,0,1|0,0,1]=2 784 B12R1.43 NC(Cc1cc[n]cc1)C(O)=O Amb22728340 [0,0,0,0,0,1|1,0,0]=2 785 B12R1.43 NC(Cc1ccc[n][n]1)C(O)=O Amb18827268 [0,0,0,0,0,1|1,0,1]=3 786 B12R1.43 NC(Cc1ccc[n]c1)C(O)=O Amb22301544 [0,0,0,0,0,1|1,0,0]=2 787 B12R1.43 NC(Cc1ccc[n]c1)C(O)=O Amb22497387 [0,0,0,0,0,1|1,0,0]=2 788 B12R1.43 NC(Cc1cccc[n]1)C(O)=O Amb22234042 [0,0,0,0,0,1|1,0,1]=3 789 B12R1.43 NC(Cc1ccccc1)C(=O)Cl Amb24620480 [0,0,0,0,0,1|3,0,0]=4 790 B12R1.43 NC(Cc1ccccc1)C(=O)S Amb25760658 [0,0,0,0,0,1|2,1,0]=4 791 B12R1.43 NC(Cc1ccccc1)C(O)=O Amb19958284 [0,0,0,0,0,1|2,0,0]=3 792 B12R1.43 NC(Cc1ccccc1)[13C](O)=O Amb22363196 [0,0,0,0,0,1|2,0,0]=3 793 B12R1.43 NC(Oc1ccccc1)C(O)=O Amb25060706 [0,0,0,0,0,1|3,0,0]=4 794 B12R1.43 NC([13CH2]c1ccccc1)C(O)=O Amb22363309 [0,0,0,0,0,1|2,0,0]=3 795 B12R1.43 N[13C@@H](Cc1ccccc1)C(O)=O Amb22351319 [0,0,0,0,0,1|2,0,0]=3 796 B12R1.43 N[13CH](Cc1ccccc1)C(O)=O Amb22367538 [0,0,0,0,0,1|2,0,0]=3 797 B12R1.43 N[14CH]([14CH2]c1ccccc1)[14C](O)=O Amb22352760 [0,0,0,0,0,1|2,0,0]=3 798 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 Amb16183950 [0,0,0,0,0,1|3,0,0]=4 799 B12R1.43 N[C@@H](CC=1CC=CCC1)C(O)=O Amb24080592 [0,0,0,0,0,1|2,0,0]=3 800 B12R1.43 N[C@@H](C[13c]1[13cH][13cH][13cH][13cH][13cH]1)C(O)=O Amb22353689 [0,0,0,0,0,1|2,0,0]=3 801 B12R1.43 N[C@@H](Cc1[n]ccc[n]1)C(O)=O Amb24524889 [0,0,0,0,0,1|1,0,1]=3 802 B12R1.43 N[C@@H](Cc1c[n]c[n]c1)C(O)=O Amb19149168 [0,0,0,0,0,1|0,0,1]=2 803 B12R1.43 N[C@@H](Cc1c[n]cc[n]1)C(O)=O Amb22801697 [0,0,0,0,0,1|0,0,1]=2 804 B12R1.43 N[C@@H](Cc1cc[n]cc1)C(O)=O Amb20241997 [0,0,0,0,0,1|1,0,0]=2 805 B12R1.43 N[C@@H](Cc1cc[n]cc1)C(O)=O Amb22745959 [0,0,0,0,0,1|1,0,0]=2 806 B12R1.43 N[C@@H](Cc1ccc[n]c1)C(O)=O Amb22008701 [0,0,0,0,0,1|1,0,0]=2 807 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O Amb22351110 [0,0,0,0,0,1|2,0,0]=3 808 B12R1.43 N[C@H](Cc1c[n]cc[n]1)C(O)=O Amb24671229 [0,0,0,0,0,1|0,0,1]=2 809 B12R1.43 N[C@H](Cc1cc[n]cc1)C(O)=O Amb19944301 [0,0,0,0,0,1|1,0,0]=2 810 B12R1.43 N[C@H](Cc1ccc[n]c1)C(O)=O Amb19930749 [0,0,0,0,0,1|1,0,0]=2 811 B12R1.43 N[C@H](Cc1ccc[n]c1)C(O)=O Amb22008700 [0,0,0,0,0,1|1,0,0]=2 812 B12R1.43 N[C@H](Cc1ccccc1)C(=O)Cl Amb25092703 [0,0,0,0,0,1|3,0,0]=4 813 B12R1.43 N[C@H](Cc1ccccc1)P(O)=O Amb24355910 [0,0,0,0,0,1|3,0,0]=4 814 B12R1.43 N\C(=C/c1cc[n]c[n]1)\C(O)=O Amb24390213 [0,0,0,0,0,1|0,0,3]=4 815 B12R1.43 N\C(=C\c1cc[n]c[n]1)\C(O)=O Amb24518466 [0,0,0,0,0,1|0,0,3]=4 816 B12R1.43 N\C(=C\c1ccc[n]c1)\C(O)=O Amb25254657 [0,0,0,0,0,1|1,0,2]=4 817 B12R1.43 O=C(C(=O)O)Cc1ccncc1 Amb17477816 [0,0,0,0,0,1|2,0,1]=4 818 B12R1.43 OC(=O)C(=O)Cc1cccnc1 Amb17232515 [0,0,0,0,0,1|2,0,1]=4 819 B12R1.43 OC(=O)C(Br)Cc1c[n]c[n]c1 Amb23571329 [0,0,0,0,0,1|1,0,1]=3 820 B12R1.43 OC(=O)C(Cc1ccccc1)Br Amb16210937 [0,0,0,0,0,1|3,0,0]=4 821 B12R1.43 OC(=O)C(Cc1ccccn1)O Amb17138619 [0,0,0,0,0,1|2,0,1]=4 822 B12R1.43 OC(=O)C(F)Sc1cc[n]cc1 Amb24487398 [0,0,0,0,0,1|3,0,0]=4 823 B12R1.43 OC(=O)C(O)Cc1c[n]c[n]c1 Amb25722221 [0,0,0,0,0,1|1,0,1]=3 824 B12R1.43 OC(=O)C(S)Cc1cc[n]c[n]1 Amb24587068 [0,0,0,0,0,1|1,0,1]=3 825 B12R1.43 OC(=O)C(S)Cc1cc[n]cc1 Amb18289016 [0,0,0,0,0,1|2,0,0]=3 826 B12R1.43 OC(=O)C(S)Cc1ccc[n]c1 Amb18968269 [0,0,0,0,0,1|2,0,0]=3 827 B12R1.43 OC(=O)C(S)Cc1cccc[n]1 Amb18289034 [0,0,0,0,0,1|2,0,1]=4 828 B12R1.43 OC(=O)C(S)Cc1ccccc1 Amb18289035 [0,0,0,0,0,1|3,0,0]=4 829 B12R1.43 OC(=O)[C@@H](Cl)Cc1ccccc1 Amb24707843 [0,0,0,0,0,1|3,0,0]=4 830 B12R1.43 OC(=O)[C@@H](S)Cc1ccccc1 Amb25124079 [0,0,0,0,0,1|3,0,0]=4 831 B12R1.43 OC(=O)[C@H](Cc1cccnc1)N Amb16231985 [0,0,0,0,0,1|1,0,0]=2 832 B12R1.43 OC(=O)[C@H](Cl)Cc1ccccc1 Amb22225171 [0,0,0,0,0,1|3,0,0]=4 833 B12R1.43 OC(=O)[C@H](F)Cc1ccccc1 Amb25061394 [0,0,0,0,0,1|3,0,0]=4 834 B12R1.43 OC(=O)[C@H](O)Cc1c[n]ccc1 Amb24726274 [0,0,0,0,0,1|2,0,0]=3 835 B12R1.43 OC(=O)[C@H](O)Cc1cc[n]cc1 Amb25260488 [0,0,0,0,0,1|2,0,0]=3 836 B12R1.43 OC(C(=O)O)Cc1ccncc1 Amb17138620 [0,0,0,0,0,1|2,0,0]=3 837 B12R1.43 [15NH2]C(Cc1ccccc1)C(O)=O Amb22338047 [0,0,0,0,0,1|2,0,0]=3 838 B12R1.260 CC(=O)NC(C)Cc1c[n]c[nH]1 Amb24341767 [0,0,0,0,0,1|2,0,0]=3 839 B12R1.260 CC(Cc1ccco1)CC(=O)O Amb17334712 [0,0,0,0,0,1|3,0,0]=4 840 B12R1.260 CC(Cc1cccs1)CC(=O)O Amb17335692 [0,0,0,0,0,1|3,0,0]=4 841 B12R1.260 CN(Cc1c[n]c[s]1)CC(O)=O Amb21862100 [0,0,0,0,0,1|3,0,0]=4 842 B12R1.260 NC(Cc1c[n]c[s]1)CC(O)=O Amb18822048 [0,0,0,0,0,1|1,0,0]=2 843 B12R1.260 NC(Cc1cc[nH]c1)CC(O)=O Amb18862760 [0,0,0,0,0,1|1,0,1]=3 844 B12R1.260 NC(Cc1ccco1)CC(=O)O Amb17470474 [0,0,0,0,0,1|2,0,0]=3 845 B12R1.260 NC(Cc1cccs1)CC(=O)O Amb17470677 [0,0,0,0,0,1|2,0,0]=3 846 B12R1.260 N[C@@H](Cc1cc[s]c1)CC(O)=O Amb24106405 [0,0,0,0,0,1|2,0,0]=3 847 B12R1.260 N[C@@H](Cc1ccc[s]1)CC(O)=O Amb22756754 [0,0,0,0,0,1|2,0,0]=3 848 B12R1.260 N[C@H](Cc1ccc[s]1)CC(O)=O Amb24106410 [0,0,0,0,0,1|2,0,0]=3 849 B12R1.260 OC(=O)CC(Br)Cc1ccc[s]1 Amb18111161 [0,0,0,0,0,1|3,0,0]=4 850 B12R1.260 OC(=O)CC(Cl)Cc1ccc[s]1 Amb18111160 [0,0,0,0,0,1|3,0,0]=4 851 B12R1.264 CC(CNc1[nH]c[n][n]1)C(O)=O Amb18093674 [0,0,0,0,0,1|2,0,0]=3 852 B12R1.264 CC(CNc1[n][n]c[s]1)C(O)=O Amb18605201 [0,0,0,0,0,1|3,0,0]=4 853 B12R1.264 CC(CNc1[n]c[n][s]1)C(O)=O Amb25353377 [0,0,0,0,0,1|2,0,1]=4 854 B12R1.264 CC(N=Cc1c[n]c[nH]1)C(O)=O Amb25381233 [0,0,0,0,0,1|1,0,1]=3 855 B12R1.264 CC(NCc1[nH]cc[n]1)C(O)=O Amb21972113 [0,0,0,0,0,1|3,0,0]=4 856 B12R1.264 NC(=O)C(=O)NCc1c[n]c[nH]1 Amb21953020 [0,0,0,0,0,1|2,0,1]=4 857 B12R1.264 NC(CNc1[n][n]c[s]1)C(O)=O Amb25123201 [0,0,0,0,0,1|2,0,0]=3 858 B12R1.264 NC(CNc1cc[s]c1)C(O)=O Amb25340607 [0,0,0,0,0,1|2,0,0]=3 859 B12R1.264 N[C@@H](CNc1[n][n]c[s]1)C(O)=O Amb25717266 [0,0,0,0,0,1|2,0,0]=3 860 B12R1.264 N[C@@H](CSc1[n]cc[s]1)C(O)=O Amb22351163 [0,0,0,0,0,1|2,0,1]=4 861 B12R1.264 N[C@@H](CSc1ccc[s]1)C(O)=O Amb22351162 [0,0,0,0,0,1|2,0,0]=3 862 B12R1.264 N[C@H](CNc1[n][n]c[s]1)C(O)=O Amb25798420 [0,0,0,0,0,1|2,0,0]=3 863 B12R1.264 OC(=O)C(=O)NCc1[nH]c[n][n]1 Amb25346705 [0,0,0,0,0,1|2,0,1]=4 864 B12R1.264 OC(=O)C(=O)NCc1c[n]c[s]1 Amb25842941 [0,0,0,0,0,1|2,0,1]=4 865 B12R1.264 OC(=O)C(=O)NCc1ccc[nH]1 Amb25240500 [0,0,0,0,0,1|2,0,1]=4 866 B12R1.264 OC(=O)C(CCc1ccco1)C Amb17232664 [0,0,0,0,0,1|3,0,0]=4 867 B12R1.264 OC(=O)C(CCc1ccco1)N Amb17470473 [0,0,0,0,0,1|2,0,0]=3 868 B12R1.264 OC(=O)C(CCc1cccs1)C Amb17234091 [0,0,0,0,0,1|3,0,0]=4 869 B12R1.264 OC(=O)C(CCc1cccs1)N Amb17470676 [0,0,0,0,0,1|2,0,0]=3 870 B12R1.264 OC(=O)C(CCc1cnc[nH]1)N Amb17614988 [0,0,0,0,0,1|0,0,0]=1 871 B12R1.264 OC(=O)[C@H](CCc1cnc[nH]1)N Amb17614987 [0,0,0,0,0,1|0,0,0]=1 872 B9R0.42 C=C(CC(N)C(O)=O)C=C Amb25698333 [1,0,1,0,0,0|1,0,0]=3 873 B9R0.42 CC(CC(N)C(O)=O)=C=C Amb24409576 [1,0,1,0,0,0|1,0,1]=4 874 B9R0.42 CC(CC(N)C(O)=O)C=C Amb25778211 [1,0,1,0,0,0|1,0,1]=4 875 B9R0.42 CCC(=C)C[C@H](N)C(O)=O Amb25694434 [1,0,1,0,0,0|1,0,1]=4 876 B9R0.42 CNC(=O)C[C@@H](N)C(O)=O Amb20240891 [1,0,1,0,0,0|1,0,1]=4 877 B9R0.42 CNC(=O)C[C@H](N)C(O)=O Amb20242140 [1,0,1,0,0,0|1,0,1]=4 878 B9R0.42 C[C@@H](C[C@H](N)C(O)=O)C=C Amb25727679 [1,0,1,0,0,0|1,0,1]=4 879 B9R0.42 C[C@H](C[C@H](N)C(O)=O)C=C Amb24561660 [1,0,1,0,0,0|1,0,1]=4 880 B9R0.42 C\C(\CC(N)C(O)=O)=C/C Amb24587021 [1,0,1,0,0,0|1,0,1]=4 881 B9R0.42 C\C(\C[C@H](N)C(O)=O)=C\C Amb24746992 [1,0,1,0,0,0|1,0,1]=4 882 B9R0.42 NC(CC(=O)NCl)C(O)=O Amb24454054 [1,0,1,0,0,0|2,0,0]=4 883 B9R0.42 NC(CC(=O)NO)C(O)=O Amb22349932 [1,0,1,0,0,0|2,0,0]=4 884 B9R0.42 NC(CC(Br)=CBr)C(O)=O Amb24644290 [1,0,1,0,0,0|2,0,0]=4 885 B9R0.42 NNC(=O)C[C@H](N)C(O)=O Amb24680907 [1,0,1,0,0,0|1,0,1]=4 886 B9R0.42 N[C@H](CC(=O)NO)C(O)=O Amb24451287 [1,0,1,0,0,0|2,0,0]=4 887 B9R0.47 C#C\C=C\CC(N)C(O)=O Amb25147384 [1,0,1,0,0,0|1,0,1]=4 888 B9R0.47 C=CCCCC(N)C(O)=O Amb22002149 [1,0,1,0,0,0|1,0,1]=4 889 B9R0.47 C=CCCC[C@@H](N)C(O)=O Amb22831130 [1,0,1,0,0,0|1,0,1]=4 890 B9R0.47 C=CCOC[C@H](N)C(O)=O Amb24713287 [1,0,1,0,0,0|2,0,0]=4 891 B9R0.47 C=CCSC[C@@H](N)C(O)=O Amb22745979 [1,0,1,0,0,0|2,0,0]=4 892 B9R0.47 C=CCSC[C@H](N)C(O)=O Amb22231426 [1,0,1,0,0,0|2,0,0]=4 893 B9R0.47 C=CCSC[C@H](N)C(O)=O Amb22231427 [1,0,1,0,0,0|2,0,0]=4 894 B9R0.47 C=C\C=C\CC(N)C(O)=O Amb18643715 [1,0,1,0,0,0|1,0,0]=3 895 B9R0.47 CC(C\C=C\C=C)C(O)=O Amb24714017 [1,0,1,0,0,0|2,0,0]=4 896 B9R0.47 CC=C=CCC(N)C(O)=O Amb24427636 [1,0,1,0,0,0|1,0,1]=4 897 B9R0.47 CC\C=C\CC(N)C(O)=O Amb25255710 [1,0,1,0,0,0|1,0,1]=4 898 B9R0.47 CC\C=C\C[C@H](N)C(O)=O Amb24617272 [1,0,1,0,0,0|1,0,1]=4 899 B9R0.47 C\C=C/SC[C@H](N)C(O)=O Amb24602399 [1,0,1,0,0,0|2,0,0]=4 900 B9R0.47 C\C=C\SCC(N)C(O)=O Amb24355928 [1,0,1,0,0,0|2,0,0]=4 901 B9R0.47 NC(CCNC=O)C(O)=O Amb24355941 [1,0,1,0,0,0|1,0,1]=4 902 B9R0.47 NC(C\C=C\CO)C(O)=O Amb25253501 [1,0,1,0,0,0|1,0,1]=4 903 B9R0.47 NC\C=C\CC(N)C(O)=O Amb22800680 [1,0,1,0,0,0|0,0,1]=3 904 B9R0.47 NC\C=C\C[C@H](N)C(O)=O Amb25339391 [1,0,1,0,0,0|0,0,1]=3 905 B9R0.47 N[C@@H](C(=O)O)CSCC=C Amb10843878 [1,0,1,0,0,0|2,0,0]=4 906 B9R0.47 N[C@@H](CCNC=O)C(O)=O Amb24692356 [1,0,1,0,0,0|1,0,1]=4 907 B9R0.47 N[C@@H](CS\C=C\Cl)C(O)=O Amb24384379 [1,0,1,0,0,0|2,0,0]=4 908 B9R0.48 C=C=CC(=O)CCC(O)=O Amb25367303 [1,0,1,0,0,0|2,0,0]=4 909 B9R0.48 C=C=C[C@@H](N)CCC(O)=O Amb24480739 [1,0,1,0,0,0|1,0,1]=4 910 B9R0.48 C=CNC(=O)CCC(O)=O Amb24505247 [1,0,1,0,0,0|2,0,0]=4 911 B9R0.48 NC(CCC(O)=O)=CC#N Amb24459243 [1,0,1,0,0,0|2,0,0]=4 912 B9R0.48 N\C(\CCC(O)=O)=C/C#N Amb24053667 [1,0,1,0,0,0|2,0,0]=4 913 B9R0.48 O/N=C/C(=O)CCC(O)=O Amb17689278 [1,0,1,0,0,0|2,0,0]=4 914 B9R0.2 C=CC\C=C\CCC(O)=O Amb18643540 [1,0,1,0,0,0|2,0,0]=4 915 B9R0.2 C\C=C\C=C\CCC(O)=O Amb18643576 [1,0,1,0,0,0|2,0,0]=4 916 B9R1.12 C=CCCc1c[n]c[s]1 Amb24395987 [2,0,0,0,0,0|2,0,0]=4 917 B9R1.12 C=CCCc1ccc[nH]1 Amb25858739 [2,0,0,0,0,0|2,0,0]=4 918 B9R1.12 O=CCCc1[nH]cc[n]1 Amb25076704 [2,0,0,0,0,0|2,0,0]=4 919 B9R1.12 O=CCCc1c[nH]c[n]1 Amb18642200 [2,0,0,0,0,0|0,0,2]=4 920 B9R1.12 O=CCCc1c[n][s][n]1 Amb24624489 [2,0,0,0,0,0|1,0,1]=4 921 B9R1.12 O=CCCc1c[n]c[s]1 Amb25705083 [2,0,0,0,0,0|1,0,0]=3 922 B9R1.12 O=CCCc1c[s]c[n]1 Amb24099812 [2,0,0,0,0,0|1,0,1]=4 923 B9R1.12 O=CCCc1ccc[nH]1 Amb24760290 [2,0,0,0,0,0|1,0,0]=3 924 B9R1.12 O=CCCc1ccco1 Amb17081672 [2,0,0,0,0,0|2,0,0]=4 925 B9R1.12 O=CCCc1cccs1 Amb17081673 [2,0,0,0,0,0|2,0,0]=4 926 B9R1.12 O=CCCc1coc[n]1 Amb24559446 [2,0,0,0,0,0|1,0,1]=4 927 B9R1.12 OCCCc1c[n][n][nH]1 Amb23570465 [2,0,0,0,0,0|1,0,1]=4 928 B9R1.12 OCCCc1c[n]c[nH]1 Amb22899104 [2,0,0,0,0,0|0,0,1]=3 929 B9R1.12 OCCCc1ccc[nH]1 Amb24428704 [2,0,0,0,0,0|1,0,1]=4 930 B9R1.12 ON=CCc1c[n]c[nH]1 Amb25364639 [2,0,0,0,0,0|1,0,1]=4 931 B9R1.12 ONCCc1c[n]c[nH]1 Amb25178668 [2,0,0,0,0,0|1,0,0]=3 932 B9R1.13 CC(Cc1ccc[nH]1)O Amb17593297 [2,0,0,0,0,0|2,0,0]=4 933 B9R1.13 CC(N)Cc1[nH]c[n][n]1 Amb18282704 [2,0,0,0,0,0|1,0,1]=4 934 B9R1.13 CC(N)Cc1ccc[nH]1 Amb18284392 [2,0,0,0,0,0|1,0,1]=4 935 B9R1.13 CC(O)Cc1c[n]c[s]1 Amb24659738 [2,0,0,0,0,0|2,0,0]=4 936 B9R1.13 NC(=O)Cc1c[n]c[s]1 Amb22372056 [2,0,0,0,0,0|1,0,1]=4 937 B9R1.13 NC(=O)Cc1ccc[nH]1 Amb22886650 [2,0,0,0,0,0|1,0,1]=4 938 B11R0.29 NC(=N)N\C=C\CC(N)C(O)=O Amb25097765 [0,1,1,0,0,0|0,0,1]=3 939 B11R0.29 NC(N)=NCCCC(N)C(O)=O Amb19866551 [0,1,1,0,0,0|0,0,2]=4 940 B11R1.30 C=CCC(N)Cc1c[n]c[s]1 Amb24750556 [1,1,0,0,0,0|2,0,0]=4 941 B11R1.30 CC(CC=O)Cc1c[n]c[s]1 Amb18126629 [1,1,0,0,0,0|2,0,0]=4 942 B11R1.30 CC(CC=O)Cc1c[n]co1 Amb25384339 [1,1,0,0,0,0|2,0,0]=4 943 B11R1.30 COCC(N)Cc1c[n]c[s]1 Amb25379871 [1,1,0,0,0,0|1,0,1]=4 944 B11R1.31 NC(CO)C(O)c1c[n]c[s]1 Amb25044482 [1,1,0,0,0,0|1,0,1]=4 945 B11R1.84 NCC(CO)Cc1c[n]c[s]1 Amb25379899 [1,1,0,0,0,0|1,0,1]=4 946 B11R1.136 CC(C)(Cc1c[n]c[s]1)C=O Amb25044915 [1,1,0,0,0,0|2,0,0]=4 947 B11R1.228 CCC(N)Cc1c[n]c[n]1C Amb25189088 [1,1,0,0,0,0|1,0,1]=4 948 B11R1.228 C[n]1c[n]cc1CC(Br)CO Amb24418475 [1,1,0,0,0,0|1,0,1]=4 949 B11R1.228 C[n]1c[n]cc1CC(N)CO Amb18125887 [1,1,0,0,0,0|0,0,1]=3 950 B11R1.228 C[n]1c[n]cc1C[C@H](N)CO Amb24376969 [1,1,0,0,0,0|0,0,1]=3 951 B11R1.228 Cc1[n]c[nH]c1CC(N)CC Amb18181835 [1,1,0,0,0,0|1,0,1]=4 952 B11R1.25 CCC(=O)CCc1c[n]c[s]1 Amb25379904 [1,1,0,0,0,0|2,0,0]=4 953 B11R1.25 CNC(=O)CCc1[nH]c[n][n]1 Amb24584262 [1,1,0,0,0,0|2,0,0]=4 954 B11R1.25 CNC(=O)CCc1c[n]c[s]1 Amb24612881 [1,1,0,0,0,0|2,0,0]=4 955 B11R1.25 COC(=O)CCc1[nH]c[n][n]1 Amb24751087 [1,1,0,0,0,0|1,0,0]=3 956 B11R1.25 COC(=O)CCc1c[n][n][nH]1 Amb22741037 [1,1,0,0,0,0|1,0,0]=3 957 B11R1.25 COC(=O)CCc1cc[n][nH]1 Amb24766211 [1,1,0,0,0,0|2,0,0]=4 958 B11R1.25 COC(=O)CCc1cc[n]o1 Amb24762935 [1,1,0,0,0,0|2,0,0]=4 959 B11R1.25 COC(=O)CCc1ccc[nH]1 Amb17617751 [1,1,0,0,0,0|1,0,0]=3 960 B11R1.25 COC(=O)CCc1cnc[nH]1 Amb17617502 [1,1,0,0,0,0|0,0,0]=2 961 B11R1.25 COC(=O)CCc1co[n]c1 Amb25382987 [1,1,0,0,0,0|2,0,0]=4 962 B11R1.25 COC(=O)CCn1cncn1 Amb15740833 [1,1,0,0,0,0|1,0,1]=4 963 B11R1.25 COC(=O)CSc1c[n][n][nH]1 Amb24756169 [1,1,0,0,0,0|2,0,0]=4 964 B11R1.25 COC(=O)NCc1[nH]c[n][n]1 Amb18791705 [1,1,0,0,0,0|2,0,0]=4 965 B11R1.25 COC(=O)NCc1c[n]c[s]1 Amb24095829 [1,1,0,0,0,0|2,0,0]=4 966 B11R1.25 COC(=O)\C=C\c1cnc[nH]1 Amb17617955 [1,1,0,0,0,0|0,0,2]=4 967 B11R1.25 NNC(=O)CCc1c[n][n][nH]1 Amb23570463 [1,1,0,0,0,0|2,0,0]=4 968 B11R1.25 OCC(=O)CCc1ccc[s]1 Amb18563930 [1,1,0,0,0,0|2,0,0]=4 969 B11R1.25 OCC(=O)CCc1ccco1 Amb18065408 [1,1,0,0,0,0|2,0,0]=4 970 B11R1.25 OCC(=O)NCc1c[n]c[s]1 Amb24593723 [1,1,0,0,0,0|2,0,0]=4 971 B11R1.25 ONC(=O)CC[n]1c[n]c[n]1 Amb24429738 [1,1,0,0,0,0|1,0,1]=4 972 B11R1.25 ONC(=O)CCc1c[n]c[nH]1 Amb24527604 [1,1,0,0,0,0|0,0,0]=2 973 B11R1.25 ONC(=O)CCc1c[s]c[n]1 Amb25855394 [1,1,0,0,0,0|1,0,1]=4 974 B11R1.25 ONC(=O)CCc1cc[s]c1 Amb24450606 [1,1,0,0,0,0|2,0,0]=4 975 B11R1.25 ONC(=O)CCc1ccoc1 Amb25845767 [1,1,0,0,0,0|2,0,0]=4 976 B11R1.75 CC(=O)CCc1cnc(s1)Cl Amb2436182 [1,1,0,0,0,0|2,0,0]=4 977 B11R1.75 C[n]1cc(CCC(O)=O)[n]c1 Amb18064894 [1,1,0,0,0,0|0,0,2]=4 978 B11R1.75 C[n]1cc(CCC(O)=O)cc1 Amb18065395 [1,1,0,0,0,0|1,0,1]=4 979 B11R1.75 Cc1[nH]c(CCC(O)=O)[n][n]1 Amb22587718 [1,1,0,0,0,0|1,0,0]=3 980 B11R1.75 Cc1[nH]c([n][n]1)SCC(O)=O Amb23546803 [1,1,0,0,0,0|2,0,0]=4 981 B11R1.75 Cc1[nH]cc(CCC(O)=O)[n]1 Amb18064594 [1,1,0,0,0,0|0,0,2]=4 982 B11R1.75 Cc1[n]c(CCC(O)=O)[s][n]1 Amb18825366 [1,1,0,0,0,0|1,0,1]=4 983 B11R1.75 Cc1[n]c[n](CCC(O)=O)[n]1 Amb18254980 [1,1,0,0,0,0|1,0,1]=4 984 B11R1.75 Cc1[n]cc(CCC(C)=O)[s]1 Amb25084411 [1,1,0,0,0,0|2,0,0]=4 985 B11R1.75 Cc1[n]cc(CCC(N)=O)[s]1 Amb23560128 [1,1,0,0,0,0|2,0,0]=4 986 B11R1.75 Cc1[n]cc(CCC(O)=O)[s]1 Amb18302885 [1,1,0,0,0,0|1,0,0]=3 987 B11R1.75 Cc1[n]cc(CCC(O)=O)o1 Amb18830921 [1,1,0,0,0,0|1,0,0]=3 988 B11R1.75 Cc1c[n](CCC(O)=O)c[n]1 Amb18254950 [1,1,0,0,0,0|2,0,0]=4 989 B11R1.75 Cc1c[n]c(CCC(O)=O)[nH]1 Amb18224359 [1,1,0,0,0,0|2,0,0]=4 990 B11R1.75 Cc1cc(CCC(O)=O)[nH]c1 Amb24743692 [1,1,0,0,0,0|1,0,0]=3 991 B11R1.75 Cc1cc(CCC(O)=O)[s][n]1 Amb18198610 [1,1,0,0,0,0|2,0,0]=4 992 B11R1.75 Cc1cc(CCC(O)=O)[s]c1 Amb22886570 [1,1,0,0,0,0|2,0,0]=4 993 B11R1.75 Cc1cc(CCC(O)=O)o[n]1 Amb18200535 [1,1,0,0,0,0|2,0,0]=4 994 B11R1.75 Cc1cc([nH]n1)CCC(=O)O Amb17334352 [1,1,0,0,0,0|2,0,0]=4 995 B11R1.75 Cc1ccc(CCC(=O)Cl)[nH]1 Amb24509779 [1,1,0,0,0,0|2,0,0]=4 996 B11R1.75 Cc1ccc([nH]1)CCC(=O)O Amb17593829 [1,1,0,0,0,0|1,0,0]=3 997 B11R1.75 Cc1nc(co1)CCC(=O)O Amb17399989 [1,1,0,0,0,0|1,0,1]=4 998 B11R1.75 Cc1nnc([nH]1)SCC(=O)O Amb1909018 [1,1,0,0,0,0|2,0,0]=4 999 B11R1.75 Cc1nnc(o1)CCC(=O)O Amb17101939 [1,1,0,0,0,0|2,0,0]=4 1000 B11R1.75 Nc1[n][n]c(CCC(O)=O)o1 Amb18224389 [1,1,0,0,0,0|2,0,0]=4 1001 B11R1.75 Nc1[n]c(CCC(O)=O)c[s]1 Amb21955536 [1,1,0,0,0,0|1,0,1]=4 1002 B11R1.75 Nc1[n]c(CCC(O)=O)o[n]1 Amb18200031 [1,1,0,0,0,0|1,0,1]=4 1003 B11R1.75 Nc1[n]c[n](CCC(O)=O)[n]1 Amb22280454 [1,1,0,0,0,0|1,0,1]=4 1004 B11R1.75 Nc1[n]cc(CCC(O)=O)[s]1 Amb19373489 [1,1,0,0,0,0|1,0,0]=3 1005 B11R1.75 Nc1[n]cc(CCC(O)=O)[s]1 Amb22899486 [1,1,0,0,0,0|1,0,0]=3 1006 B11R1.75 Nc1[n]cc(SCC(O)=O)[s]1 Amb22490842 [1,1,0,0,0,0|2,0,0]=4 1007 B11R1.75 Nc1c[nH]c(CCC(O)=O)[n]1 Amb25292169 [1,1,0,0,0,0|2,0,0]=4 1008 B11R1.75 Nc1c[n](CCC(O)=O)c[n]1 Amb18200504 [1,1,0,0,0,0|2,0,0]=4 1009 B11R1.75 Nc1ccc(CCC(O)=O)[s]1 Amb18825427 [1,1,0,0,0,0|2,0,0]=4 1010 B11R1.75 Nc1ccc([nH]1)SCC(=O)O Amb17594310 [1,1,0,0,0,0|2,0,0]=4 1011 B11R1.75 Nc1nc(cs1)CCC(=O)O Amb13949099 [1,1,0,0,0,0|1,0,1]=4 1012 B11R1.75 Nc1nnc([nH]1)CCC(=O)O Amb10607660 [1,1,0,0,0,0|1,0,0]=3 1013 B11R1.75 O=C(Cl)CCc1c[n]c(Br)[s]1 Amb25352021 [1,1,0,0,0,0|2,0,0]=4 1014 B11R1.75 O=C(Cl)CCc1c[n]c(Cl)[s]1 Amb24574256 [1,1,0,0,0,0|2,0,0]=4 1015 B11R1.75 OC(=O)CCC1=CC(=O)NN1 Amb18200286 [1,1,0,0,0,0|2,0,0]=4 1016 B11R1.75 OC(=O)CCC1=CNC(=O)N1 Amb19550071 [1,1,0,0,0,0|0,0,1]=3 1017 B11R1.75 OC(=O)CCC1=CNC(=S)N1 Amb20243447 [1,1,0,0,0,0|0,0,1]=3 1018 B11R1.75 OC(=O)CCC1=CSC(=O)N1 Amb18544048 [1,1,0,0,0,0|1,0,0]=3 1019 B11R1.75 OC(=O)CCC=1C=NC(=O)N1 Amb24390389 [1,1,0,0,0,0|0,0,1]=3 1020 B11R1.75 OC(=O)CCC=1NC(=O)NN1 Amb18291641 [1,1,0,0,0,0|1,0,1]=4 1021 B11R1.75 OC(=O)CCC=1NC(=S)NN1 Amb19803766 [1,1,0,0,0,0|1,0,1]=4 1022 B11R1.75 OC(=O)CCN1C=CC(=O)N1 Amb24666865 [1,1,0,0,0,0|2,0,0]=4 1023 B11R1.75 OC(=O)CC[n]1c[n]c(Br)[n]1 Amb24269229 [1,1,0,0,0,0|1,0,1]=4 1024 B11R1.75 OC(=O)CC[n]1c[n]c(Cl)[n]1 Amb23481536 [1,1,0,0,0,0|1,0,1]=4 1025 B11R1.75 OC(=O)CCc1[n][n]c(S)o1 Amb18862901 [1,1,0,0,0,0|2,0,0]=4 1026 B11R1.75 OC(=O)CCc1[n]c(Br)[n]o1 Amb18162861 [1,1,0,0,0,0|1,0,1]=4 1027 B11R1.75 OC(=O)CCc1c[nH]c(=O)[nH]1 Amb1922109 [1,1,0,0,0,0|0,0,1]=3 1028 B11R1.75 OC(=O)CCc1c[nH]c(Cl)[n]1 Amb24743724 [1,1,0,0,0,0|0,0,2]=4 1029 B11R1.75 OC(=O)CCc1c[n]c(F)[nH]1 Amb25317480 [1,1,0,0,0,0|0,0,0]=2 1030 B11R1.75 OC(=O)CCc1c[s]c(Cl)[n]1 Amb24408064 [1,1,0,0,0,0|1,0,1]=4 1031 B11R1.75 OC(=O)CCc1c[s]c(Cl)c1 Amb25116438 [1,1,0,0,0,0|2,0,0]=4 1032 B11R1.75 OC(=O)CCc1c[s]c(S)[n]1 Amb18129800 [1,1,0,0,0,0|1,0,1]=4 1033 B11R1.75 OC(=O)CCc1cc(Cl)c[s]1 Amb19374564 [1,1,0,0,0,0|2,0,0]=4 1034 B11R1.75 OC(=O)CCc1cc(Cl)co1 Amb23537476 [1,1,0,0,0,0|2,0,0]=4 1035 B11R1.75 OC(=O)CCc1cc(no1)Br Amb16186748 [1,1,0,0,0,0|2,0,0]=4 1036 B11R1.75 OC(=O)CCc1cc(no1)Cl Amb1063482 [1,1,0,0,0,0|2,0,0]=4 1037 B11R1.75 OC(=O)CCc1ccc(S)o1 Amb24519112 [1,1,0,0,0,0|2,0,0]=4 1038 B11R1.75 OC(=O)CCc1cnn(c1)C Amb1946073 [1,1,0,0,0,0|2,0,0]=4 1039 B11R1.75 OC(=O)CCc1csc(n1)Br Amb17409134 [1,1,0,0,0,0|1,0,1]=4 1040 B11R1.75 OC(=O)CCc1nc(n[nH]1)Br Amb15741209 [1,1,0,0,0,0|1,0,1]=4 1041 B11R1.75 OC(=O)CCc1nc(n[nH]1)Cl Amb15701473 [1,1,0,0,0,0|1,0,1]=4 1042 B11R1.75 OC(=O)CCc1nnc([nH]1)S Amb1039475 [1,1,0,0,0,0|1,0,0]=3 1043 B11R1.75 OC(=O)NCc1c[nH]c(=O)[nH]1 Amb24068912 [1,1,0,0,0,0|1,0,1]=4 1044 B11R1.75 Oc1[nH]c(CCC(O)=O)[n][n]1 Amb18862524 [1,1,0,0,0,0|1,0,0]=3 1045 B11R1.75 Oc1c[n]c(CCC(O)=O)[nH]1 Amb18224385 [1,1,0,0,0,0|2,0,0]=4 1046 B11R1.77 CC(CC(O)=O)[n]1c[n]cc1 Amb20668070 [1,1,0,0,0,0|2,0,0]=4 1047 B11R1.77 CC(CC(O)=O)c1[nH]c[n][n]1 Amb24358820 [1,1,0,0,0,0|1,0,0]=3 1048 B11R1.77 CC(CC(O)=O)c1[nH]cc[n]1 Amb18200835 [1,1,0,0,0,0|2,0,0]=4 1049 B11R1.77 CC(CC(O)=O)c1c[nH][n]c1 Amb24398308 [1,1,0,0,0,0|2,0,0]=4 1050 B11R1.77 CC(CC(O)=O)c1cc[nH]c1 Amb18065399 [1,1,0,0,0,0|1,0,1]=4 1051 B11R1.77 CC(CC(O)=O)c1cc[n][s]1 Amb24681634 [1,1,0,0,0,0|2,0,0]=4 1052 B11R1.77 CC(CC(O)=O)c1cc[n]o1 Amb25350744 [1,1,0,0,0,0|2,0,0]=4 1053 B11R1.77 CC(CC(O)=O)c1cc[s]c1 Amb25274979 [1,1,0,0,0,0|2,0,0]=4 1054 B11R1.77 CC(CC(O)=O)c1ccc[nH]1 Amb25150500 [1,1,0,0,0,0|1,0,0]=3 1055 B11R1.77 CC(n1cncn1)CC(=O)O Amb2572537 [1,1,0,0,0,0|1,0,1]=4 1056 B11R1.77 NC(=O)CC(N)c1c[n]c[s]1 Amb25145791 [1,1,0,0,0,0|2,0,0]=4 1057 B11R1.77 NC(=O)C[C@H](N)c1c[n]c[s]1 Amb25100556 [1,1,0,0,0,0|2,0,0]=4 1058 B11R1.77 NC(CC(O)=O)c1[nH][n][n][n]1 Amb25138752 [1,1,0,0,0,0|2,0,0]=4 1059 B11R1.77 NC(CC(O)=O)c1[n][n]co1 Amb24643769 [1,1,0,0,0,0|2,0,0]=4 1060 B11R1.77 NC(CC(O)=O)c1cc[n]o1 Amb24734907 [1,1,0,0,0,0|2,0,0]=4 1061 B11R1.77 NC(CC(O)=O)c1ccc[nH]1 Amb24061838 [1,1,0,0,0,0|1,0,0]=3 1062 B11R1.77 N[C@@H](CC(O)=O)c1[nH][n][n][n]1 Amb25255709 [1,1,0,0,0,0|2,0,0]=4 1063 B11R1.77 N[C@@H](CC(O)=O)c1c[nH]c[n]1 Amb24650920 [1,1,0,0,0,0|0,0,2]=4 1064 B11R1.77 N[C@@H](CC(O)=O)c1cc[nH]c1 Amb24402389 [1,1,0,0,0,0|1,0,1]=4 1065 B11R1.77 N[C@@H](CC(O)=O)c1cc[s]c1 Amb18180319 [1,1,0,0,0,0|2,0,0]=4 1066 B11R1.77 N[C@@H](CC(O)=O)c1ccc[nH]1 Amb25836815 [1,1,0,0,0,0|1,0,0]=3 1067 B11R1.77 N[C@@H](CC(O)=O)c1ccc[s]1 Amb18180320 [1,1,0,0,0,0|2,0,0]=4 1068 B11R1.77 N[C@@H](CC(O)=O)c1ccco1 Amb18179572 [1,1,0,0,0,0|2,0,0]=4 1069 B11R1.77 N[C@@H](CC(O)=O)c1ccoc1 Amb25058814 [1,1,0,0,0,0|2,0,0]=4 1070 B11R1.77 N[C@H](CC(O)=O)c1c[n]c[nH]1 Amb25322373 [1,1,0,0,0,0|0,0,0]=2 1071 B11R1.77 N[C@H](CC(O)=O)c1cc[n]o1 Amb25381253 [1,1,0,0,0,0|2,0,0]=4 1072 B11R1.77 N[C@H](CC(O)=O)c1ccco1 Amb25319193 [1,1,0,0,0,0|2,0,0]=4 1073 B11R1.77 OC(=O)CC(Cl)c1ccc[s]1 Amb18120438 [1,1,0,0,0,0|2,0,0]=4 1074 B11R1.77 OC(=O)CC(Cl)c1ccco1 Amb18119889 [1,1,0,0,0,0|2,0,0]=4 1075 B11R1.77 OC(=O)CC(O)c1c[nH]cc1 Amb25785506 [1,1,0,0,0,0|1,0,1]=4 1076 B11R1.77 OC(=O)CC(O)c1c[n]c[s]1 Amb18198065 [1,1,0,0,0,0|1,0,0]=3 1077 B11R1.77 OC(=O)CC(O)c1c[n]co1 Amb18200045 [1,1,0,0,0,0|1,0,0]=3 1078 B11R1.77 OC(=O)CC(O)c1c[s]c[n]1 Amb18198066 [1,1,0,0,0,0|1,0,1]=4 1079 B11R1.77 OC(=O)CC(O)c1cocc1 Amb24485369 [1,1,0,0,0,0|2,0,0]=4 1080 B11R1.77 OC(=O)CC(c1ccco1)N Amb2583027 [1,1,0,0,0,0|2,0,0]=4 1081 B11R1.77 OC(=O)CC(c1ccco1)O Amb17232169 [1,1,0,0,0,0|2,0,0]=4 1082 B11R1.77 OC(=O)CC(c1cccs1)N Amb1993734 [1,1,0,0,0,0|2,0,0]=4 1083 B11R1.77 OC(=O)CC(c1cccs1)O Amb17232866 [1,1,0,0,0,0|2,0,0]=4 1084 B11R1.77 OC(=O)CC(c1cscc1)N Amb2438718 [1,1,0,0,0,0|2,0,0]=4 1085 B11R1.77 OC(=O)\C=C(\F)/c1c[n]c[nH]1 Amb25381251 [1,1,0,0,0,0|0,0,2]=4 1086 B11R1.90 CC(=O)CCc1c[n][n][n]1C Amb24431181 [1,1,0,0,0,0|2,0,0]=4 1087 B11R1.90 CC(=O)NCc1c[n]c[n]1C Amb24363530 [1,1,0,0,0,0|2,0,0]=4 1088 B11R1.90 CC(O)CCc1c[n]c[n]1C Amb25149314 [1,1,0,0,0,0|1,0,1]=4 1089 B11R1.90 C[n]1[n][n][n]c1CCC(O)=O Amb24670084 [1,1,0,0,0,0|2,0,0]=4 1090 B11R1.90 C[n]1[n][n]cc1CCC(O)=O Amb25075001 [1,1,0,0,0,0|1,0,0]=3 1091 B11R1.90 C[n]1[n][n]cc1SCC(O)=O Amb25784322 [1,1,0,0,0,0|2,0,0]=4 1092 B11R1.90 C[n]1[n]c[n]c1CCC(O)=O Amb18995485 [1,1,0,0,0,0|1,0,1]=4 1093 B11R1.90 C[n]1c[n]cc1C#CC(O)=O Amb25826828 [1,1,0,0,0,0|0,0,2]=4 1094 B11R1.90 C[n]1c[n]cc1CCC(O)=O Amb23441168 [1,1,0,0,0,0|0,0,0]=2 1095 B11R1.90 C[n]1cccc1CCC(=O)Cl Amb25089761 [1,1,0,0,0,0|2,0,0]=4 1096 B11R1.90 Cc1[nH]c[n]c1CCC(O)=O Amb18062653 [1,1,0,0,0,0|0,0,2]=4 1097 B11R1.90 Cc1[n][nH]cc1CCC(O)=O Amb18200786 [1,1,0,0,0,0|2,0,0]=4 1098 B11R1.90 Cc1[n][s][n]c1CCC(O)=O Amb18825365 [1,1,0,0,0,0|1,0,1]=4 1099 B11R1.90 Cc1[n][s]cc1CCC(O)=O Amb24509124 [1,1,0,0,0,0|2,0,0]=4 1100 B11R1.90 Cc1[n]c[n][n]1CCC(O)=O Amb18254989 [1,1,0,0,0,0|1,0,1]=4 1101 B11R1.90 Cc1[n]c[s]c1CCC(N)=O Amb24740415 [1,1,0,0,0,0|2,0,0]=4 1102 B11R1.90 Cc1[n]coc1CCC(O)=O Amb18830918 [1,1,0,0,0,0|1,0,0]=3 1103 B11R1.90 Cc1[n]o[n]c1CCC(O)=O Amb18200254 [1,1,0,0,0,0|1,0,1]=4 1104 B11R1.90 Cc1[n]occ1CCC(O)=O Amb18200518 [1,1,0,0,0,0|2,0,0]=4 1105 B11R1.90 Cc1[s][n]cc1CCC(O)=O Amb18825426 [1,1,0,0,0,0|2,0,0]=4 1106 B11R1.90 Cc1[s]ccc1CCC(O)=O Amb18198905 [1,1,0,0,0,0|2,0,0]=4 1107 B11R1.90 Cc1c[nH]cc1CCC(=O)O Amb17593830 [1,1,0,0,0,0|1,0,1]=4 1108 B11R1.90 Cc1c[n][nH]c1CCC(O)=O Amb18200777 [1,1,0,0,0,0|2,0,0]=4 1109 B11R1.90 Cc1c[n][s]c1CCC(O)=O Amb18198609 [1,1,0,0,0,0|2,0,0]=4 1110 B11R1.90 Cc1c[n]oc1CCC(O)=O Amb25238550 [1,1,0,0,0,0|2,0,0]=4 1111 B11R1.90 Cc1ccoc1CCC(O)=O Amb18200842 [1,1,0,0,0,0|2,0,0]=4 1112 B11R1.90 Cc1cocc1CCC(O)=O Amb24628818 [1,1,0,0,0,0|2,0,0]=4 1113 B11R1.90 Cc1nccn1CCC(=O)O Amb1099401 [1,1,0,0,0,0|2,0,0]=4 1114 B11R1.90 Cc1nccn1CCC(=O)O Amb1292944 [1,1,0,0,0,0|2,0,0]=4 1115 B11R1.90 Cc1o[n]cc1CCC(O)=O Amb18200543 [1,1,0,0,0,0|2,0,0]=4 1116 B11R1.90 Cc1oc[n]c1CCC(O)=O Amb18200534 [1,1,0,0,0,0|1,0,1]=4 1117 B11R1.90 Cc1occc1CCC(O)=O Amb18125680 [1,1,0,0,0,0|2,0,0]=4 1118 B11R1.90 Cn1cnnc1CCC(=O)O Amb10608042 [1,1,0,0,0,0|1,0,0]=3 1119 B11R1.90 Nc1[n]o[n]c1CCC(O)=O Amb18633351 [1,1,0,0,0,0|1,0,1]=4 1120 B11R1.90 OC(=O)CC[n]1[n]c[n]c1Br Amb24269224 [1,1,0,0,0,0|1,0,1]=4 1121 B11R1.90 OC(=O)CC[n]1[n]c[n]c1Cl Amb24269227 [1,1,0,0,0,0|1,0,1]=4 1122 B11R1.90 OC(=O)CC[n]1cc[n]c1S Amb18825367 [1,1,0,0,0,0|2,0,0]=4 1123 B11R1.90 OC(=O)CCc1[s]c[n]c1Br Amb18732847 [1,1,0,0,0,0|1,0,0]=3 1124 B11R1.90 OC(=O)CCc1[s]ccc1Br Amb18293479 [1,1,0,0,0,0|2,0,0]=4 1125 B11R1.90 OC(=O)CCc1c[s]cc1Br Amb25826996 [1,1,0,0,0,0|2,0,0]=4 1126 B11R1.90 OC(=O)CCc1cc[s]c1Cl Amb25101050 [1,1,0,0,0,0|2,0,0]=4 1127 B11R1.90 OC(=O)CCc1occc1Br Amb25823223 [1,1,0,0,0,0|2,0,0]=4 1128 B11R1.90 Oc1[n]cc[n]1CCC(O)=O Amb18200269 [1,1,0,0,0,0|2,0,0]=4 1129 B11R1.89 CC(=C)C(N)c1c[n]c[n]1C Amb24407371 [0,1,0,0,1,0|2,0,0]=4 1130 B11R1.89 CC(C(O)=O)c1[n][n]c[n]1C Amb18200482 [0,1,0,0,1,0|2,0,0]=4 1131 B11R1.89 C[n]1[n][n]cc1C(C)C(O)=O Amb24657851 [0,1,0,0,1,0|2,0,0]=4 1132 B11R1.89 C[n]1[n][n]cc1C(F)C(O)=O Amb24357733 [0,1,0,0,1,0|2,0,0]=4 1133 B11R1.89 C[n]1[n]ccc1C(N)C(O)=O Amb24691450 [0,1,0,0,1,0|2,0,0]=4 1134 B11R1.89 C[n]1c[n][n]c1C(F)C(O)=O Amb24557286 [0,1,0,0,1,0|2,0,0]=4 1135 B11R1.89 C[n]1c[n][n]c1C(O)C(O)=O Amb25290057 [0,1,0,0,1,0|2,0,0]=4 1136 B11R1.89 C[n]1c[n]cc1C(=O)C(O)=O Amb18200865 [0,1,0,0,1,0|1,0,1]=4 1137 B11R1.89 C[n]1c[n]cc1C(Cl)C(N)=O Amb25829400 [0,1,0,0,1,0|2,0,0]=4 1138 B11R1.89 C[n]1c[n]cc1C(O)C(O)=O Amb18200279 [0,1,0,0,1,0|1,0,0]=3 1139 B11R1.89 C[n]1cccc1C(C)C(O)=O Amb18644562 [0,1,0,0,1,0|2,0,0]=4 1140 B11R1.89 C[n]1cccc1C(O)C(O)=O Amb18830923 [0,1,0,0,1,0|2,0,0]=4 1141 B11R1.89 Cc1[n][s]cc1C(N)C(O)=O Amb24374605 [0,1,0,0,1,0|2,0,0]=4 1142 B11R1.89 Cc1[n]c[nH]c1C(O)C(O)=O Amb18200280 [0,1,0,0,1,0|1,0,0]=3 1143 B11R1.89 Cc1[n]c[nH]c1[C@@H](N)C(O)=O Amb24107539 [0,1,0,0,1,0|0,0,0]=2 1144 B11R1.89 Cc1[n]c[s]c1C(N)C(N)=O Amb24649467 [0,1,0,0,1,0|2,0,0]=4 1145 B11R1.89 Cc1[n]c[s]c1C(N)C(O)=O Amb18198322 [0,1,0,0,1,0|1,0,0]=3 1146 B11R1.89 Cc1[n]c[s]c1C(O)C(O)=O Amb18825306 [0,1,0,0,1,0|2,0,0]=4 1147 B11R1.89 Cc1[n]o[n]c1C(N)C(O)=O Amb18200036 [0,1,0,0,1,0|1,0,1]=4 1148 B11R1.89 Cc1ccoc1C(N)C(O)=O Amb18200530 [0,1,0,0,1,0|2,0,0]=4 1149 B11R1.89 Cc1cocc1C(N)C(O)=O Amb18830920 [0,1,0,0,1,0|2,0,0]=4 1150 B11R1.89 NC(C(O)=O)c1[nH]ccc1Br Amb25857892 [0,1,0,0,1,0|1,0,0]=3 1151 B11R1.89 NC(C(O)=O)c1[nH]ccc1F Amb25844578 [0,1,0,0,1,0|1,0,0]=3 1152 B11R1.89 NC(C(O)=O)c1[s]ccc1Br Amb24375714 [0,1,0,0,1,0|2,0,0]=4 1153 B11R1.89 NC(C(O)=O)c1[s]ccc1F Amb24760142 [0,1,0,0,1,0|2,0,0]=4 1154 B11R1.89 NC(C(O)=O)c1c[nH]cc1Cl Amb24452615 [0,1,0,0,1,0|1,0,1]=4 1155 B11R1.89 NC(C(O)=O)c1c[nH]cc1F Amb25789432 [0,1,0,0,1,0|1,0,1]=4 1156 B11R1.89 NC(C(O)=O)c1c[s]cc1Br Amb25149009 [0,1,0,0,1,0|2,0,0]=4 1157 B11R1.89 NC(C(O)=O)c1cc[nH]c1Br Amb25743481 [0,1,0,0,1,0|1,0,1]=4 1158 B11R1.89 NC(C(O)=O)c1cc[nH]c1F Amb24612344 [0,1,0,0,1,0|1,0,1]=4 1159 B11R1.89 NC(C(O)=O)c1ccoc1Br Amb24428661 [0,1,0,0,1,0|2,0,0]=4 1160 B11R1.89 NC(C(O)=O)c1ccoc1Cl Amb25254761 [0,1,0,0,1,0|2,0,0]=4 1161 B11R1.89 NC(C(O)=O)c1cocc1Br Amb25076301 [0,1,0,0,1,0|2,0,0]=4 1162 B11R1.89 NC(C(O)=O)c1cocc1Cl Amb24760112 [0,1,0,0,1,0|2,0,0]=4 1163 B11R1.89 NC(C(O)=O)c1occc1Cl Amb25309256 [0,1,0,0,1,0|2,0,0]=4 1164 B11R1.89 NC(C(O)=O)c1occc1F Amb25679139 [0,1,0,0,1,0|2,0,0]=4 1165 B11R1.89 NC(c1[nH]ccc1O)C(O)=O Amb25189215 [0,1,0,0,1,0|1,0,0]=3 1166 B11R1.89 NC(c1[n]o[n]c1O)C(O)=O Amb24398594 [0,1,0,0,1,0|1,0,1]=4 1167 B11R1.89 NC(c1cc[n][n]1O)C(O)=O Amb25062883 [0,1,0,0,1,0|2,0,0]=4 1168 B11R1.89 NC(c1cc[s]c1O)C(O)=O Amb25103379 [0,1,0,0,1,0|2,0,0]=4 1169 B11R1.89 NC(c1ccoc1O)C(O)=O Amb24670161 [0,1,0,0,1,0|2,0,0]=4 1170 B11R1.89 NC(c1cocc1O)C(O)=O Amb24538208 [0,1,0,0,1,0|2,0,0]=4 1171 B11R1.89 N[C@@H](C(O)=O)c1[s]ccc1Br Amb25147923 [0,1,0,0,1,0|2,0,0]=4 1172 B11R1.89 N[C@@H](C(O)=O)c1[s]ccc1I Amb25351576 [0,1,0,0,1,0|2,0,0]=4 1173 B11R1.89 N[C@H](C(O)=O)c1[s]ccc1Cl Amb25143950 [0,1,0,0,1,0|2,0,0]=4 1174 B11R1.89 Nc1cc[nH]c1C(N)C(O)=O Amb25808966 [0,1,0,0,1,0|1,0,0]=3 1175 B11R1.89 Nc1cc[s]c1C(N)C(O)=O Amb24428678 [0,1,0,0,1,0|2,0,0]=4 1176 B11R1.89 Nc1ccoc1C(N)C(O)=O Amb25277370 [0,1,0,0,1,0|2,0,0]=4 1177 B11R1.89 OC(=O)C(O)c1[s]c[n]c1Br Amb25148353 [0,1,0,0,1,0|2,0,0]=4 1178 B11R1.89 OC(=O)C(c1nccn1C)N Amb16232075 [0,1,0,0,1,0|2,0,0]=4 1179 B11R1.173 CC(C)(C(O)=O)c1c[n]c[nH]1 Amb18200800 [0,1,0,0,1,0|1,0,0]=3 1180 B11R1.173 CC(N)(C(O)=O)c1[nH]cc[n]1 Amb24401996 [0,1,0,0,1,0|2,0,0]=4 1181 B11R1.173 CC(N)(C(O)=O)c1c[nH]c[n]1 Amb25116899 [0,1,0,0,1,0|0,0,2]=4 1182 B11R1.173 CC(N)(C(O)=O)c1ccoc1 Amb24745693 [0,1,0,0,1,0|2,0,0]=4 1183 B11R1.173 C[C@@](N)(C(O)=O)c1cc[s]c1 Amb24401065 [0,1,0,0,1,0|2,0,0]=4 1184 B11R1.173 C[C@@](N)(C(O)=O)c1ccc[nH]1 Amb24484439 [0,1,0,0,1,0|1,0,0]=3 1185 B11R1.173 C[C@@](N)(C(O)=O)c1ccoc1 Amb25824678 [0,1,0,0,1,0|2,0,0]=4 1186 B11R1.173 C[C@](N)(C(O)=O)c1cc[nH]c1 Amb24402352 [0,1,0,0,1,0|1,0,1]=4 1187 B11R1.173 C[C@](N)(C(O)=O)c1cc[s]c1 Amb24560319 [0,1,0,0,1,0|2,0,0]=4 1188 B11R1.173 C[C@](N)(C(O)=O)c1ccc[nH]1 Amb24609871 [0,1,0,0,1,0|1,0,0]=3 1189 B11R1.173 OC(=O)C(F)(F)c1ccc[nH]1 Amb25150503 [0,1,0,0,1,0|2,0,0]=4 1190 B11R1.173 OC(=O)C(c1ccco1)(N)C Amb17621967 [0,1,0,0,1,0|2,0,0]=4 1191 B11R1.173 OC(=O)[C@@](c1cccs1)(N)C Amb16232013 [0,1,0,0,1,0|2,0,0]=4 1192 B11R1.298 CCC(C(O)=O)c1ccc[nH]1 Amb25724952 [0,1,0,0,1,0|2,0,0]=4 1193 B11R1.298 CNC(C(N)=O)c1c[n]c[s]1 Amb24648481 [0,1,0,0,1,0|2,0,0]=4 1194 B11R1.298 CNC(C(O)=O)c1c[s]c[n]1 Amb25294861 [0,1,0,0,1,0|1,0,1]=4 1195 B11R1.298 CNC(c1[nH]c[n][n]1)C(O)=O Amb25121571 [0,1,0,0,1,0|1,0,0]=3 1196 B11R1.298 CNC(c1[nH]cc[n]1)C(O)=O Amb25850053 [0,1,0,0,1,0|2,0,0]=4 1197 B11R1.298 CNC(c1c[nH]cc1)C(O)=O Amb18224357 [0,1,0,0,1,0|1,0,1]=4 1198 B11R1.298 CNC(c1ccc[nH]1)C(O)=O Amb24703058 [0,1,0,0,1,0|1,0,0]=3 1199 B11R1.298 CNC(c1cccs1)C(=O)O Amb10608556 [0,1,0,0,1,0|2,0,0]=4 1200 B11R1.298 CNC(c1cccs1)C(=O)O Amb17622296 [0,1,0,0,1,0|2,0,0]=4 1201 B11R1.298 NCC(C(O)=O)c1c[nH]c[n]1 Amb24639739 [0,1,0,0,1,0|0,0,2]=4 1202 B11R1.298 NCC(c1ccco1)C(=O)O Amb17399993 [0,1,0,0,1,0|2,0,0]=4 1203 B11R1.298 NCC(c1cccs1)C(=O)O Amb17400352 [0,1,0,0,1,0|2,0,0]=4 1204 B11R1.298 NNC(C(O)=O)c1cc[s]c1 Amb25361550 [0,1,0,0,1,0|2,0,0]=4 1205 B11R1.298 NNC(c1ccco1)C(=O)O Amb17399999 [0,1,0,0,1,0|2,0,0]=4 1206 B11R1.298 NNC(c1cccs1)C(=O)O Amb17400366 [0,1,0,0,1,0|2,0,0]=4 1207 B11R1.298 NOC(C(O)=O)c1cc[s]c1 Amb25139397 [0,1,0,0,1,0|2,0,0]=4 1208 B11R1.298 OC(=O)C(=NO)c1c[n]c[nH]1 Amb24487844 [0,1,0,0,1,0|0,0,2]=4 1209 B11R1.314 CC(C(O)=O)c1c[n]c(N)[s]1 Amb24442818 [0,1,0,0,1,0|2,0,0]=4 1210 B11R1.314 C[n]1[n]c(c[n]1)C(N)C(O)=O Amb24618082 [0,1,0,0,1,0|1,0,1]=4 1211 B11R1.314 C[n]1cc(cc1)C(N)C(O)=O Amb18224355 [0,1,0,0,1,0|1,0,1]=4 1212 B11R1.314 Cc1[nH]cc([n]1)C(N)C(O)=O Amb18200499 [0,1,0,0,1,0|0,0,2]=4 1213 B11R1.314 Cc1[n][n]c(o1)C(N)C(O)=O Amb18116250 [0,1,0,0,1,0|2,0,0]=4 1214 B11R1.314 Cc1[n]c(c[s]1)C(N)C(O)=O Amb18198303 [0,1,0,0,1,0|1,0,1]=4 1215 B11R1.314 Cc1[n]c(c[s]1)[C@@H](N)C(O)=O Amb25189097 [0,1,0,0,1,0|1,0,1]=4 1216 B11R1.314 Cc1[n]c(c[s]1)[C@H](N)C(O)=O Amb25780436 [0,1,0,0,1,0|1,0,1]=4 1217 B11R1.314 Cc1[n]cc([s]1)C(C)C(O)=O Amb18198592 [0,1,0,0,1,0|2,0,0]=4 1218 B11R1.314 Cc1[n]cc([s]1)C(N)C(O)=O Amb18198323 [0,1,0,0,1,0|1,0,0]=3 1219 B11R1.314 Cc1[n]cc([s]1)C(O)C(O)=O Amb18198073 [0,1,0,0,1,0|2,0,0]=4 1220 B11R1.314 Cc1cc([s][n]1)C(N)C(O)=O Amb25784033 [0,1,0,0,1,0|2,0,0]=4 1221 B11R1.314 Cc1cc([s]c1)C(N)C(O)=O Amb18198604 [0,1,0,0,1,0|2,0,0]=4 1222 B11R1.314 Cc1cc(c[s]1)C(N)C(O)=O Amb25791162 [0,1,0,0,1,0|2,0,0]=4 1223 B11R1.314 Cc1cc(co1)C(N)C(O)=O Amb18830919 [0,1,0,0,1,0|2,0,0]=4 1224 B11R1.314 Cc1cc(o[n]1)C(N)C(O)=O Amb18200262 [0,1,0,0,1,0|2,0,0]=4 1225 B11R1.314 Cc1cc(oc1)C(N)C(O)=O Amb25081415 [0,1,0,0,1,0|2,0,0]=4 1226 B11R1.314 Cc1ccc([nH]1)C(N)C(O)=O Amb25209449 [0,1,0,0,1,0|1,0,0]=3 1227 B11R1.314 Cc1ccc([s]1)[C@@H](N)C(O)=O Amb24562836 [0,1,0,0,1,0|2,0,0]=4 1228 B11R1.314 NC(C(O)=O)C1=CNC(=O)N1 Amb25268562 [0,1,0,0,1,0|0,0,1]=3 1229 B11R1.314 NC(C(O)=O)C1=CSC(=N)N1 Amb18127041 [0,1,0,0,1,0|1,0,0]=3 1230 B11R1.314 NC(C(O)=O)c1c[nH]c(F)c1 Amb25771139 [0,1,0,0,1,0|1,0,1]=4 1231 B11R1.314 NC(C(O)=O)c1c[s]c(F)c1 Amb25067459 [0,1,0,0,1,0|2,0,0]=4 1232 B11R1.314 NC(C(O)=O)c1c[s]c(S)[n]1 Amb24531403 [0,1,0,0,1,0|1,0,1]=4 1233 B11R1.314 NC(C(O)=O)c1cc(Br)[n]o1 Amb18658497 [0,1,0,0,1,0|2,0,0]=4 1234 B11R1.314 NC(C(O)=O)c1cc(Br)c[nH]1 Amb24451638 [0,1,0,0,1,0|1,0,0]=3 1235 B11R1.314 NC(C(O)=O)c1cc(Br)c[s]1 Amb18953620 [0,1,0,0,1,0|2,0,0]=4 1236 B11R1.314 NC(C(O)=O)c1ccc(Br)[nH]1 Amb24394373 [0,1,0,0,1,0|1,0,0]=3 1237 B11R1.314 NC(C(O)=O)c1ccc(Br)o1 Amb25823696 [0,1,0,0,1,0|2,0,0]=4 1238 B11R1.314 NC(C(O)=O)c1ccc(Cl)[nH]1 Amb25301723 [0,1,0,0,1,0|1,0,0]=3 1239 B11R1.314 NC(C(O)=O)c1ccc(Cl)o1 Amb24761476 [0,1,0,0,1,0|2,0,0]=4 1240 B11R1.314 NC(C(O)=O)c1ccc(F)[s]1 Amb25327511 [0,1,0,0,1,0|2,0,0]=4 1241 B11R1.314 NC(C(O)=O)c1ccc(F)o1 Amb24459738 [0,1,0,0,1,0|2,0,0]=4 1242 B11R1.314 NC(C(O)=O)c1coc(F)c1 Amb25224956 [0,1,0,0,1,0|2,0,0]=4 1243 B11R1.314 NC(c1c[n][n](O)c1)C(O)=O Amb25235403 [0,1,0,0,1,0|2,0,0]=4 1244 B11R1.314 NC(c1c[s]c(O)[n]1)C(O)=O Amb25028110 [0,1,0,0,1,0|1,0,1]=4 1245 B11R1.314 NC(c1cc(O)[s]c1)C(O)=O Amb24700370 [0,1,0,0,1,0|2,0,0]=4 1246 B11R1.314 NC(c1cc(O)c[nH]1)C(O)=O Amb25744462 [0,1,0,0,1,0|1,0,0]=3 1247 B11R1.314 NC(c1cc(O)c[s]1)C(O)=O Amb25314298 [0,1,0,0,1,0|2,0,0]=4 1248 B11R1.314 NC(c1cc(O)co1)C(O)=O Amb24394419 [0,1,0,0,1,0|2,0,0]=4 1249 B11R1.314 N[C@@H](C(O)=O)c1cc(Br)c[s]1 Amb25040210 [0,1,0,0,1,0|2,0,0]=4 1250 B11R1.314 N[C@@H](C(O)=O)c1cc(Br)co1 Amb25040659 [0,1,0,0,1,0|2,0,0]=4 1251 B11R1.314 N[C@@H](C(O)=O)c1cc(I)c[nH]1 Amb25804232 [0,1,0,0,1,0|1,0,0]=3 1252 B11R1.314 N[C@@H](C(O)=O)c1ccc(Br)[s]1 Amb24675697 [0,1,0,0,1,0|2,0,0]=4 1253 B11R1.314 N[C@@H](C(O)=O)c1ccc(Cl)o1 Amb24509059 [0,1,0,0,1,0|2,0,0]=4 1254 B11R1.314 N[C@@H](c1cc(O)[n]o1)C(O)=O Amb22800331 [0,1,0,0,1,0|2,0,0]=4 1255 B11R1.314 N[C@@H](c1cc(O)[n]o1)C(O)=O Amb22801167 [0,1,0,0,1,0|2,0,0]=4 1256 B11R1.314 N[C@@H](c1ccc(O)[s]1)C(O)=O Amb25692017 [0,1,0,0,1,0|2,0,0]=4 1257 B11R1.314 N[C@H](C(O)=O)c1cc(Br)co1 Amb25844622 [0,1,0,0,1,0|2,0,0]=4 1258 B11R1.314 N[C@H](C(O)=O)c1ccc(Cl)o1 Amb25077175 [0,1,0,0,1,0|2,0,0]=4 1259 B11R1.314 N[C@H](c1ccc(O)[s]1)C(O)=O Amb24452647 [0,1,0,0,1,0|2,0,0]=4 1260 B11R1.314 Nc1[n]cc([s]1)C(N)C(O)=O Amb25690296 [0,1,0,0,1,0|1,0,0]=3 1261 B11R1.314 Nc1[n]cc([s]1)C(O)C(O)=O Amb18647806 [0,1,0,0,1,0|2,0,0]=4 1262 B11R1.314 Nc1[n]cc([s]1)[C@H](N)C(O)=O Amb24617507 [0,1,0,0,1,0|1,0,0]=3 1263 B11R1.314 Nc1cc([s]c1)C(N)C(O)=O Amb25726878 [0,1,0,0,1,0|2,0,0]=4 1264 B11R1.314 Nc1cc(c[nH]1)C(N)C(O)=O Amb25061928 [0,1,0,0,1,0|1,0,1]=4 1265 B11R1.314 Nc1cc(c[s]1)C(N)C(O)=O Amb25067991 [0,1,0,0,1,0|2,0,0]=4 1266 B11R1.314 Nc1ccc([nH]1)C(N)C(O)=O Amb25771585 [0,1,0,0,1,0|1,0,0]=3 1267 B11R1.314 Nc1ccc(o1)C(N)C(O)=O Amb25063200 [0,1,0,0,1,0|2,0,0]=4 1268 B11R1.314 OC(=O)C(c1onc(c1)O)N Amb10807447 [0,1,0,0,1,0|2,0,0]=4 1269 B11R1.357 OC(c1c[n]c[nH]1)P(O)(O)=O Amb25069760 [0,1,0,0,1,0|2,0,0]=4 1270 B13R1.133 Bc1ccc(CC(N)C(O)=O)cc1 Amb25056890 [0,1,0,0,0,1|2,0,0]=4 1271 B13R1.133 Bc1ccc(C[C@H](N)C(O)=O)cc1 Amb24495483 [0,1,0,0,0,1|2,0,0]=4 1272 B13R1.133 CC(Cc1ccc(Cl)[n]c1)C(O)=O Amb25685273 [0,1,0,0,0,1|2,0,0]=4 1273 B13R1.133 Cc1[n][n]c(CC(N)C(O)=O)[n][n]1 Amb25282279 [0,1,0,0,0,1|1,0,1]=4 1274 B13R1.133 Cc1ccc(CC(N)C(O)=O)c[n]1 Amb18193897 [0,1,0,0,0,1|1,0,0]=3 1275 B13R1.133 Cc1ccc(CC(S)C(O)=O)c[n]1 Amb25153708 [0,1,0,0,0,1|2,0,0]=4 1276 B13R1.133 Cc1ccc(C[C@@H](N)C(O)=O)[n]c1 Amb25160624 [0,1,0,0,0,1|1,0,1]=4 1277 B13R1.133 Cc1ccc(C[C@@H](N)C(O)=O)c[n]1 Amb25836372 [0,1,0,0,0,1|1,0,0]=3 1278 B13R1.133 NC(C(=O)O)Cc1cc[n+](cc1)[O-] Amb17594678 [0,1,0,0,0,1|1,0,1]=4 1279 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Cl Amb1077887 [0,1,0,0,0,1|2,0,0]=4 1280 B13R1.133 NC(CC=1C=CC(=O)NC1)C(O)=O Amb24649985 [0,1,0,0,0,1|1,0,0]=3 1281 B13R1.133 NC(Cc1ccc(Br)cc1)C(O)=O Amb22490717 [0,1,0,0,0,1|2,0,0]=4 1282 B13R1.133 NC(Cc1ccc(Cl)[n]c1)C(O)=O Amb25282233 [0,1,0,0,0,1|1,0,0]=3 1283 B13R1.133 NC(Cc1ccc(F)[n]c1)C(O)=O Amb24351607 [0,1,0,0,0,1|1,0,0]=3 1284 B13R1.133 NC(Cc1ccc(F)c[n]1)C(O)=O Amb25843769 [0,1,0,0,0,1|1,0,1]=4 1285 B13R1.133 NC(Cc1ccc(F)cc1)C(O)=O Amb20246818 [0,1,0,0,0,1|2,0,0]=4 1286 B13R1.133 NC(Cc1ccc(O)cc1)C(O)=O Amb22352126 [0,1,0,0,0,1|2,0,0]=4 1287 B13R1.133 NC(Cc1ccc(O)cc1)C(O)=O Amb22730237 [0,1,0,0,0,1|2,0,0]=4 1288 B13R1.133 NC(Cc1ccc(O)cc1)[13C](O)=O Amb22367400 [0,1,0,0,0,1|2,0,0]=4 1289 B13R1.133 NC([13CH2]c1ccc(O)cc1)C(O)=O Amb22338815 [0,1,0,0,0,1|2,0,0]=4 1290 B13R1.133 N[13CH](Cc1ccc(O)cc1)C(O)=O Amb22367333 [0,1,0,0,0,1|2,0,0]=4 1291 B13R1.133 N[14C@@H]([14CH2][14c]1[14cH][14cH][14c](O)[14cH][14cH]1)[14C](O)=O Amb22350206 [0,1,0,0,0,1|2,0,0]=4 1292 B13R1.133 N[C@@H](CC=1C=CC(=O)NC1)C(O)=O Amb25109157 [0,1,0,0,0,1|1,0,0]=3 1293 B13R1.133 N[C@@H](Cc1cc[13c](O)cc1)C(O)=O Amb22367297 [0,1,0,0,0,1|2,0,0]=4 1294 B13R1.133 N[C@@H](Cc1cc[n+]([O-])cc1)C(O)=O Amb24565918 [0,1,0,0,0,1|1,0,1]=4 1295 B13R1.133 N[C@@H](Cc1ccc(Br)[n]c1)C(O)=O Amb25154880 [0,1,0,0,0,1|1,0,0]=3 1296 B13R1.133 N[C@@H](Cc1ccc(Br)c[n]1)C(O)=O Amb25364955 [0,1,0,0,0,1|1,0,1]=4 1297 B13R1.133 N[C@@H](Cc1ccc(Br)cc1)C(O)=O Amb19930758 [0,1,0,0,0,1|2,0,0]=4 1298 B13R1.133 N[C@@H](Cc1ccc(Cl)cc1)C(O)=O Amb19930410 [0,1,0,0,0,1|2,0,0]=4 1299 B13R1.133 N[C@@H](Cc1ccc(F)[n]c1)C(O)=O Amb25858507 [0,1,0,0,0,1|1,0,0]=3 1300 B13R1.133 N[C@@H](Cc1ccc(F)c[n]1)C(O)=O Amb25330341 [0,1,0,0,0,1|1,0,1]=4 1301 B13R1.133 N[C@@H](Cc1ccc(I)c[n]1)C(O)=O Amb25238691 [0,1,0,0,0,1|1,0,1]=4 1302 B13R1.133 N[C@@H](Cc1ccc(I)cc1)C(O)=O Amb22801217 [0,1,0,0,0,1|2,0,0]=4 1303 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(O)=O Amb22351112 [0,1,0,0,0,1|2,0,0]=4 1304 B13R1.133 N[C@@H](Cc1ccc(O)cc1)[13C](O)=O Amb22351670 [0,1,0,0,0,1|2,0,0]=4 1305 B13R1.133 N[C@@H](Cc1ccc(S)cc1)C(O)=O Amb24446740 [0,1,0,0,0,1|2,0,0]=4 1306 B13R1.133 N[C@@H](Cc1ccc([17OH])cc1)C(O)=O Amb22367468 [0,1,0,0,0,1|2,0,0]=4 1307 B13R1.133 N[C@@H](Cc1ccc([18OH])cc1)C(O)=O Amb22353627 [0,1,0,0,0,1|2,0,0]=4 1308 B13R1.133 N[C@@H]([13CH2]c1ccc(O)cc1)C(O)=O Amb22336665 [0,1,0,0,0,1|2,0,0]=4 1309 B13R1.133 N[C@H](Cc1ccc(Br)c[n]1)C(O)=O Amb25278417 [0,1,0,0,0,1|1,0,1]=4 1310 B13R1.133 N[C@H](Cc1ccc(Br)cc1)C(O)=O Amb20241889 [0,1,0,0,0,1|2,0,0]=4 1311 B13R1.133 N[C@H](Cc1ccc(F)[n]c1)C(O)=O Amb24680870 [0,1,0,0,0,1|1,0,0]=3 1312 B13R1.133 N[C@H](Cc1ccc(I)cc1)C(O)=O Amb20240664 [0,1,0,0,0,1|2,0,0]=4 1313 B13R1.133 N[C@H](Cc1ccc(S)cc1)C(O)=O Amb24599881 [0,1,0,0,0,1|2,0,0]=4 1314 B13R1.133 Nc1[n]cc(C[C@H](N)C(O)=O)c[n]1 Amb25061327 [0,1,0,0,0,1|0,0,1]=3 1315 B13R1.133 Nc1ccc(CC(N)C(O)=O)[n]c1 Amb25187967 [0,1,0,0,0,1|1,0,1]=4 1316 B13R1.133 Nc1ccc(CC(N)C(O)=O)c[n]1 Amb24533892 [0,1,0,0,0,1|1,0,0]=3 1317 B13R1.133 Nc1ccc(CC(N)C(O)=O)cc1 Amb24079001 [0,1,0,0,0,1|2,0,0]=4 1318 B13R1.133 Nc1ccc(C[C@@H](N)C(O)=O)c[n]1 Amb25039381 [0,1,0,0,0,1|1,0,0]=3 1319 B13R1.133 Nc1ccc(C[C@@H](N)C(O)=O)cc1 Amb19130487 [0,1,0,0,0,1|2,0,0]=4 1320 B13R1.133 Nc1ccc(C[C@H](N)C(O)=O)[n]c1 Amb24346938 [0,1,0,0,0,1|1,0,1]=4 1321 B13R1.133 Nc1ccc(C[C@H](N)C(O)=O)cc1 Amb20242456 [0,1,0,0,0,1|2,0,0]=4 1322 B13R1.133 [15NH2]C(Cc1ccc(O)cc1)C(O)=O Amb22336215 [0,1,0,0,0,1|2,0,0]=4 1323 B13R1.133 [15NH2][13C@@H]([13CH2][13c]1[13cH][13cH][13c](O)[13cH][13cH]1)[13C](O)=O Amb22338916 [0,1,0,0,0,1|2,0,0]=4 1324 B13R1.135 COC(=O)C(Cc1ccccc1)N Amb1779248 [0,1,0,0,0,1|2,0,0]=4 1325 B13R1.135 COC(=O)C(Cc1cccnc1)O Amb17138999 [0,1,0,0,0,1|2,0,0]=4 1326 B13R1.135 COC(=O)C(Cc1ccncc1)O Amb17139000 [0,1,0,0,0,1|2,0,0]=4 1327 B13R1.135 COC(=O)C(N)Cc1ccccc1 Amb22489492 [0,1,0,0,0,1|2,0,0]=4 1328 B13R1.135 COC(=O)[C@@H](Cc1cccnc1)N Amb15691971 [0,1,0,0,0,1|1,0,0]=3 1329 B13R1.135 COC(=O)[C@@H](N)Cc1ccc[n]c1 Amb22756662 [0,1,0,0,0,1|1,0,0]=3 1330 B13R1.135 COC(=O)[C@@H](N)Cc1cccc[n]1 Amb22745828 [0,1,0,0,0,1|1,0,1]=4 1331 B13R1.135 NC(Cc1ccccc1)C(=O)NO Amb22349822 [0,1,0,0,0,1|2,0,0]=4 1332 B13R1.135 N[C@@H](Cc1ccccc1)C(=O)NO Amb25268143 [0,1,0,0,0,1|2,0,0]=4 1333 B13R1.148 CC(Cc1c[n]cc(Br)c1)C(O)=O Amb25821532 [0,1,0,0,0,1|2,0,0]=4 1334 B13R1.148 CC(Cc1c[n]cc(F)c1)C(O)=O Amb25782318 [0,1,0,0,0,1|2,0,0]=4 1335 B13R1.148 CC(Cc1cc[n]c(Cl)[n]1)C(O)=O Amb24460925 [0,1,0,0,0,1|1,0,1]=4 1336 B13R1.148 Cc1[n]c(CC(N)C(O)=O)cc[n]1 Amb18302431 [0,1,0,0,0,1|0,0,1]=3 1337 B13R1.148 Cc1[n]c(CC(S)C(O)=O)cc[n]1 Amb25679618 [0,1,0,0,0,1|1,0,1]=4 1338 B13R1.148 Cc1cc(CC(N)C(O)=O)[n]cc1 Amb18193874 [0,1,0,0,0,1|1,0,1]=4 1339 B13R1.148 Cc1cc(CC(N)C(O)=O)c[n]c1 Amb18193896 [0,1,0,0,0,1|1,0,0]=3 1340 B13R1.148 Cc1cc(CC(N)C(O)=O)cc[n]1 Amb18824521 [0,1,0,0,0,1|1,0,0]=3 1341 B13R1.148 Cc1cc(C[C@@H](N)C(O)=O)cc[n]1 Amb24409497 [0,1,0,0,0,1|1,0,0]=3 1342 B13R1.148 Cc1cc(C[C@H](N)C(O)=O)[n]cc1 Amb24346939 [0,1,0,0,0,1|1,0,1]=4 1343 B13R1.148 Cc1cccc(C[C@@H](N)C(O)=O)[n]1 Amb25117997 [0,1,0,0,0,1|1,0,1]=4 1344 B13R1.148 NC(=O)C(N)Cc1c[n]cc(Br)c1 Amb25040763 [0,1,0,0,0,1|2,0,0]=4 1345 B13R1.148 NC(CC1=CC(=O)NC=C1)C(O)=O Amb25127065 [0,1,0,0,0,1|1,0,1]=4 1346 B13R1.148 NC(CC1=CC(=O)NC=N1)C(O)=O Amb25095191 [0,1,0,0,0,1|0,0,2]=4 1347 B13R1.148 NC(CC1=CC=NC(=O)N1)C(O)=O Amb25268309 [0,1,0,0,0,1|0,0,0]=2 1348 B13R1.148 NC(CC=1NC(=O)C=CN1)C(O)=O Amb25270760 [0,1,0,0,0,1|1,0,0]=3 1349 B13R1.148 NC(Cc1cc(Cl)cc[n]1)C(O)=O Amb25764479 [0,1,0,0,0,1|1,0,1]=4 1350 B13R1.148 NC(Cc1cc(O)c[n]c1)C(O)=O Amb24377085 [0,1,0,0,0,1|1,0,0]=3 1351 B13R1.148 NC(Cc1cc[n]c(Br)c1)C(O)=O Amb25068866 [0,1,0,0,0,1|1,0,0]=3 1352 B13R1.148 NC(Cc1cc[n]c(Cl)c1)C(O)=O Amb25301408 [0,1,0,0,0,1|1,0,0]=3 1353 B13R1.148 NC(Cc1cc[n]c(F)c1)C(O)=O Amb24453250 [0,1,0,0,0,1|1,0,0]=3 1354 B13R1.148 NC(Cc1cccc(Cl)[n]1)C(O)=O Amb24342291 [0,1,0,0,0,1|1,0,1]=4 1355 B13R1.148 NC(Cc1cccc(Cl)c1)C(O)=O Amb20622650 [0,1,0,0,0,1|2,0,0]=4 1356 B13R1.148 NC(Cc1cccc(F)[n]1)C(O)=O Amb25371997 [0,1,0,0,0,1|1,0,1]=4 1357 B13R1.148 NC(Cc1cccc(O)[n]1)C(O)=O Amb24730470 [0,1,0,0,0,1|1,0,1]=4 1358 B13R1.148 NC=1NC(CC(N)C(O)=O)CCN1 Amb25101585 [0,1,0,0,0,1|0,0,2]=4 1359 B13R1.148 N[C@@H](Cc1c[n]cc(Br)c1)C(O)=O Amb24418099 [0,1,0,0,0,1|1,0,0]=3 1360 B13R1.148 N[C@@H](Cc1cccc(I)c1)C(O)=O Amb22229331 [0,1,0,0,0,1|2,0,0]=4 1361 B13R1.148 N[C@@H](Cc1cccc(O)[n]1)C(O)=O Amb24346926 [0,1,0,0,0,1|1,0,1]=4 1362 B13R1.148 N[C@H](Cc1c[n]cc(F)c1)C(O)=O Amb25679683 [0,1,0,0,0,1|1,0,0]=3 1363 B13R1.148 N[C@H](Cc1cc(Br)cc[n]1)C(O)=O Amb25123413 [0,1,0,0,0,1|1,0,1]=4 1364 B13R1.148 N[C@H](Cc1cc[n]c(Br)c1)C(O)=O Amb24367239 [0,1,0,0,0,1|1,0,0]=3 1365 B13R1.148 N[C@H](Cc1cccc(I)c1)C(O)=O Amb22229329 [0,1,0,0,0,1|2,0,0]=4 1366 B13R1.148 N[C@H](Cc1cccc(S)c1)C(O)=O Amb24489876 [0,1,0,0,0,1|2,0,0]=4 1367 B13R1.148 Nc1[n]c(CC(N)C(O)=O)cc[n]1 Amb25108145 [0,1,0,0,0,1|0,0,1]=3 1368 B13R1.148 Nc1[n]c(C[C@@H](N)C(O)=O)cc[n]1 Amb25065293 [0,1,0,0,0,1|0,0,1]=3 1369 B13R1.148 Nc1cc(CC(N)C(O)=O)ccc1 Amb21864824 [0,1,0,0,0,1|2,0,0]=4 1370 B13R1.148 Nc1cc(C[C@@H](N)C(O)=O)ccc1 Amb22229180 [0,1,0,0,0,1|2,0,0]=4 1371 B13R1.148 Nc1cc(C[C@H](N)C(O)=O)cc[n]1 Amb24374979 [0,1,0,0,0,1|1,0,0]=3 1372 B13R1.148 Nc1cc(C[C@H](N)C(O)=O)ccc1 Amb22229182 [0,1,0,0,0,1|2,0,0]=4 1373 B13R1.148 Nc1cc[n]c(C[C@@H](N)C(O)=O)c1 Amb24715726 [0,1,0,0,0,1|1,0,1]=4 1374 B13R1.148 Nc1cccc(C[C@@H](N)C(O)=O)[n]1 Amb24526602 [0,1,0,0,0,1|1,0,1]=4 1375 B13R1.148 OC(=O)C(O)Cc1c[n]cc(Br)c1 Amb24535360 [0,1,0,0,0,1|2,0,0]=4 1376 B13R1.152 CC(C(C(=O)O)N)c1ccccc1 Amb10072242 [0,1,0,0,0,1|2,0,0]=4 1377 B13R1.152 CC(C(C)c1c[n]cc[n]1)C(O)=O Amb25355225 [0,1,0,0,0,1|1,0,1]=4 1378 B13R1.152 CC(C(C)c1cc[n]c[n]1)C(O)=O Amb24649168 [0,1,0,0,0,1|1,0,1]=4 1379 B13R1.152 CC(C(F)C(O)=O)c1cc[n]cc1 Amb25119011 [0,1,0,0,0,1|2,0,0]=4 1380 B13R1.152 CC(C(F)C(O)=O)c1ccc[n]c1 Amb24583873 [0,1,0,0,0,1|2,0,0]=4 1381 B13R1.152 CC([C@@H](N)C(O)=O)c1ccccc1 Amb24107545 [0,1,0,0,0,1|2,0,0]=4 1382 B13R1.152 C[C@@H]([C@@H](N)C(O)=O)c1ccccc1 Amb22801136 [0,1,0,0,0,1|2,0,0]=4 1383 B13R1.152 C[C@H]([C@@H](N)C(O)=O)c1ccccc1 Amb19890909 [0,1,0,0,0,1|2,0,0]=4 1384 B13R1.152 C[C@H]([C@@H](N)C(O)=O)c1ccccc1 Amb25101600 [0,1,0,0,0,1|2,0,0]=4 1385 B13R1.152 NC(C(C(=O)O)C)c1ccncc1 Amb17470632 [0,1,0,0,0,1|2,0,0]=4 1386 B13R1.152 NC(C(N)c1ccccc1)C(O)=O Amb18128694 [0,1,0,0,0,1|2,0,0]=4 1387 B13R1.152 NC(C(O)c1c[n]c[n]c1)C(O)=O Amb25362434 [0,1,0,0,0,1|0,0,1]=3 1388 B13R1.152 NC(C(O)c1cc[n]c[n]1)C(O)=O Amb25359555 [0,1,0,0,0,1|0,0,1]=3 1389 B13R1.152 NC(C(O)c1cc[n]cc1)C(O)=O Amb18192714 [0,1,0,0,0,1|1,0,0]=3 1390 B13R1.152 NC(C(O)c1cccc[n]1)C(O)=O Amb18192715 [0,1,0,0,0,1|1,0,1]=4 1391 B13R1.152 NC([C@H](O)c1ccccc1)C(O)=O Amb25848582 [0,1,0,0,0,1|2,0,0]=4 1392 B13R1.152 N[C@@H](C(Cl)c1ccccc1)C(O)=O Amb25765693 [0,1,0,0,0,1|2,0,0]=4 1393 B13R1.152 N[C@@H]([C@@H](S)c1ccccc1)C(O)=O Amb24677701 [0,1,0,0,0,1|2,0,0]=4 1394 B13R1.152 N[C@H]([C@@H](S)c1ccccc1)C(O)=O Amb24346854 [0,1,0,0,0,1|2,0,0]=4 1395 B13R1.152 N[C@H]([C@H](N)c1ccccc1)C(O)=O Amb24442986 [0,1,0,0,0,1|2,0,0]=4 1396 B13R1.152 N[C@H]([C@H](O)C(O)=O)c1ccc[n]c1 Amb24737746 [0,1,0,0,0,1|2,0,0]=4 1397 B13R1.152 OC(=O)C(C(c1cccnc1)N)C Amb17470629 [0,1,0,0,0,1|2,0,0]=4 1398 B13R1.152 OC(C(C(=O)O)N)c1ccccc1 Amb2228459 [0,1,0,0,0,1|2,0,0]=4 1399 B13R1.152 SC(C(C(=O)O)N)c1ccccc1 Amb17595234 [0,1,0,0,0,1|2,0,0]=4 1400 B13R1.202 CC(Cc1cc[n]cc1F)C(O)=O Amb25039005 [0,1,0,0,0,1|2,0,0]=4 1401 B13R1.202 Cc1[n]cccc1CC(C)C(O)=O Amb25773491 [0,1,0,0,0,1|2,0,0]=4 1402 B13R1.202 Cc1c[n]ccc1C[C@@H](N)C(O)=O Amb25063835 [0,1,0,0,0,1|1,0,0]=3 1403 B13R1.202 Cc1c[n]ccc1C[C@H](N)C(O)=O Amb24390165 [0,1,0,0,0,1|1,0,0]=3 1404 B13R1.202 Cc1cc[n]cc1CC(C)C(O)=O Amb25696863 [0,1,0,0,0,1|2,0,0]=4 1405 B13R1.202 Cc1cc[n]cc1CC(F)C(O)=O Amb25691783 [0,1,0,0,0,1|2,0,0]=4 1406 B13R1.202 Cc1cc[n]cc1C[C@@H](N)C(O)=O Amb25160627 [0,1,0,0,0,1|1,0,0]=3 1407 B13R1.202 Cc1cc[n]cc1C[C@H](N)C(O)=O Amb25791119 [0,1,0,0,0,1|1,0,0]=3 1408 B13R1.202 Cc1ccc[n]c1C[C@@H](N)C(O)=O Amb19149167 [0,1,0,0,0,1|1,0,1]=4 1409 B13R1.202 Cc1ccc[n]c1C[C@H](N)C(O)=O Amb24727924 [0,1,0,0,0,1|1,0,1]=4 1410 B13R1.202 Cc1ccccc1C[C@@H](N)C(O)=O Amb22745584 [0,1,0,0,0,1|2,0,0]=4 1411 B13R1.202 Cc1ccccc1C[C@H](N)C(O)=O Amb22262944 [0,1,0,0,0,1|2,0,0]=4 1412 B13R1.202 NC(=O)C(N)Cc1cc[n]cc1Cl Amb25109764 [0,1,0,0,0,1|2,0,0]=4 1413 B13R1.202 NC(CC1=CN=CNC1=O)C(O)=O Amb24654941 [0,1,0,0,0,1|0,0,0]=2 1414 B13R1.202 NC(CN1C=CC=NC1=O)C(O)=O Amb24633901 [0,1,0,0,0,1|2,0,0]=4 1415 B13R1.202 NC(CN1C=CN=CC1=O)C(O)=O Amb24673866 [0,1,0,0,0,1|2,0,0]=4 1416 B13R1.202 NC(Cc1[n]cccc1Br)C(O)=O Amb25732428 [0,1,0,0,0,1|1,0,1]=4 1417 B13R1.202 NC(Cc1[n]cccc1Cl)C(O)=O Amb25778279 [0,1,0,0,0,1|1,0,1]=4 1418 B13R1.202 NC(Cc1[n]cccc1F)C(O)=O Amb24700457 [0,1,0,0,0,1|1,0,1]=4 1419 B13R1.202 NC(Cc1c[n]ccc1Br)C(O)=O Amb24697543 [0,1,0,0,0,1|1,0,0]=3 1420 B13R1.202 NC(Cc1cc[n]cc1O)C(O)=O Amb25703073 [0,1,0,0,0,1|1,0,0]=3 1421 B13R1.202 NC(Cc1ccccc1Cl)C(O)=O Amb22723318 [0,1,0,0,0,1|2,0,0]=4 1422 B13R1.202 N[C@@H](Cc1c[n]ccc1Br)C(O)=O Amb24342447 [0,1,0,0,0,1|1,0,0]=3 1423 B13R1.202 N[C@@H](Cc1cc[n]cc1Cl)C(O)=O Amb24655759 [0,1,0,0,0,1|1,0,0]=3 1424 B13R1.202 N[C@@H](Cc1cc[n]cc1F)C(O)=O Amb25836888 [0,1,0,0,0,1|1,0,0]=3 1425 B13R1.202 N[C@@H](Cc1cc[n]cc1O)C(O)=O Amb25789561 [0,1,0,0,0,1|1,0,0]=3 1426 B13R1.202 N[C@@H](Cc1ccc[n]c1Br)C(O)=O Amb24669163 [0,1,0,0,0,1|1,0,0]=3 1427 B13R1.202 N[C@@H](Cc1ccc[n]c1Cl)C(O)=O Amb25691465 [0,1,0,0,0,1|1,0,0]=3 1428 B13R1.202 N[C@@H](Cc1ccc[n]c1F)C(O)=O Amb25843771 [0,1,0,0,0,1|1,0,0]=3 1429 B13R1.202 N[C@@H](Cc1ccccc1Cl)C(O)=O Amb19930753 [0,1,0,0,0,1|2,0,0]=4 1430 B13R1.202 N[C@@H](Cc1ccccc1F)C(O)=O Amb22747108 [0,1,0,0,0,1|2,0,0]=4 1431 B13R1.202 N[C@@H](Cc1ccccc1I)C(O)=O Amb22228856 [0,1,0,0,0,1|2,0,0]=4 1432 B13R1.202 N[C@@H](Cc1ccccc1O)C(O)=O Amb23440357 [0,1,0,0,0,1|2,0,0]=4 1433 B13R1.202 N[C@@H](Cc1ccccc1S)C(O)=O Amb24535355 [0,1,0,0,0,1|2,0,0]=4 1434 B13R1.202 N[C@H](Cc1[n]cccc1F)C(O)=O Amb24670299 [0,1,0,0,0,1|1,0,1]=4 1435 B13R1.202 N[C@H](Cc1ccc[n]c1S)C(O)=O Amb24657292 [0,1,0,0,0,1|1,0,0]=3 1436 B13R1.202 N[C@H](Cc1ccccc1Cl)C(O)=O Amb19930752 [0,1,0,0,0,1|2,0,0]=4 1437 B13R1.202 N[C@H](Cc1ccccc1I)C(O)=O Amb22228855 [0,1,0,0,0,1|2,0,0]=4 1438 B13R1.202 Nc1[n]cccc1CC(O)C(O)=O Amb25346691 [0,1,0,0,0,1|2,0,0]=4 1439 B13R1.202 Nc1[n]cccc1C[C@H](N)C(O)=O Amb24700456 [0,1,0,0,0,1|1,0,0]=3 1440 B13R1.202 Nc1c[n]ccc1CC(N)C(O)=O Amb25789484 [0,1,0,0,0,1|1,0,0]=3 1441 B13R1.202 Nc1cc[n]cc1CC(N)C(O)=O Amb24460737 [0,1,0,0,0,1|1,0,0]=3 1442 B13R1.202 Nc1cc[n]cc1C[C@H](N)C(O)=O Amb25744618 [0,1,0,0,0,1|1,0,0]=3 1443 B13R1.202 Nc1ccc[n]c1CC(N)C(O)=O Amb25128056 [0,1,0,0,0,1|1,0,1]=4 1444 B13R1.202 Nc1ccc[n]c1C[C@H](N)C(O)=O Amb24399638 [0,1,0,0,0,1|1,0,1]=4 1445 B13R1.202 Nc1ccccc1CC(N)C(O)=O Amb22002697 [0,1,0,0,0,1|2,0,0]=4 1446 B13R1.202 Nc1ccccc1C[C@@H](N)C(O)=O Amb22228579 [0,1,0,0,0,1|2,0,0]=4 1447 B13R1.202 Nc1ccccc1C[C@@H](N)C(O)=O Amb22757212 [0,1,0,0,0,1|2,0,0]=4 1448 B13R1.202 Nc1ccccc1C[C@H](N)C(O)=O Amb22228581 [0,1,0,0,0,1|2,0,0]=4 1449 B13R1.202 OC(=O)C(O)Cc1cc[n]cc1Cl Amb25718576 [0,1,0,0,0,1|2,0,0]=4 1450 B13R1.202 OC(=O)C(O)Cc1ccc[n]c1F Amb25266041 [0,1,0,0,0,1|2,0,0]=4 1451 B13R1.353 NC(Cc1c[n]ccc1)P(O)(O)=O Amb25267553 [0,1,0,0,0,1|2,0,0]=4 1452 B13R1.418 CN[C@@H](C(=O)O)Cc1ccccc1 Amb16183857 [0,1,0,0,0,1|2,0,0]=4 1453 B13R1.418 CN[C@@H](Cc1ccccc1)C(O)=O Amb22744994 [0,1,0,0,0,1|2,0,0]=4 1454 B13R1.418 CN[C@H](C(=O)O)Cc1ccccc1 Amb10604038 [0,1,0,0,0,1|2,0,0]=4 1455 B13R1.418 N#CC(C(=O)O)Cc1cccnc1 Amb17090108 [0,1,0,0,0,1|1,0,1]=4 1456 B13R1.418 N#CC(C(=O)O)Cc1ccncc1 Amb17090109 [0,1,0,0,0,1|1,0,1]=4 1457 B13R1.418 NCC(Cc1c[n]ccc1)C(O)=O Amb19373762 [0,1,0,0,0,1|1,0,0]=3 1458 B13R1.418 NCC(Cc1cccc[n]1)C(O)=O Amb19343541 [0,1,0,0,0,1|1,0,1]=4 1459 B13R1.418 NCC(Cc1ccccc1)C(O)=O Amb19148058 [0,1,0,0,0,1|2,0,0]=4 1460 B13R1.418 NC[C@@H](Cc1ccccc1)C(O)=O Amb22745974 [0,1,0,0,0,1|2,0,0]=4 1461 B13R1.418 NC[C@@H](Cc1ccccc1)C(O)=O Amb22745975 [0,1,0,0,0,1|2,0,0]=4 1462 B13R1.418 NO[C@@H](C(=O)O)Cc1ccccc1 Amb10070584 [0,1,0,0,0,1|2,0,0]=4 1463 B13R1.418 NO[C@H](C(=O)O)Cc1ccccc1 Amb10070583 [0,1,0,0,0,1|2,0,0]=4 1464 B13R1.1073 CC(C)(Cc1cc[n]cc1)C(O)=O Amb18065826 [0,1,0,0,0,1|2,0,0]=4 1465 B13R1.1073 CC(C)(Cc1ccc[n]c1)C(O)=O Amb18065825 [0,1,0,0,0,1|2,0,0]=4 1466 B13R1.1073 CC(N)(Cc1c[n]cc[n]1)C(O)=O Amb24492308 [0,1,0,0,0,1|0,0,1]=3 1467 B13R1.1073 NC(N)(Cc1ccccc1)C(O)=O Amb25779175 [0,1,0,0,0,1|2,0,0]=4 1468 B13R1.1073 OC(=O)C(Cc1ccccn1)(N)C Amb17400758 [0,1,0,0,0,1|1,0,1]=4 1469 B13R1.1073 OC(=O)C(Cc1cccnc1)(N)C Amb17233667 [0,1,0,0,0,1|1,0,0]=3 1470 B13R1.1073 OC(=O)C(Cc1ccncc1)(N)C Amb17400763 [0,1,0,0,0,1|1,0,0]=3 1471 B13R1.1073 OC(=O)C(F)(F)Cc1cc[n]cc1 Amb24586446 [0,1,0,0,0,1|2,0,0]=4 1472 B13R1.340 NC(CC(O)=O)C(O)c1c[n]c[s]1 Amb18177007 [0,1,0,0,0,1|1,0,0]=3 1473 B13R1.3424 C[n]1cc(CC(N)CC(O)=O)cc1 Amb18863015 [0,1,0,0,0,1|1,0,1]=4 1474 B13R1.3424 Cc1[n]cc(CC(N)CC(O)=O)[s]1 Amb18187442 [0,1,0,0,0,1|1,0,0]=3 1475 B13R1.3424 Cc1ccc(CC(N)CC(O)=O)o1 Amb18192132 [0,1,0,0,0,1|2,0,0]=4 1476 B13R1.3424 NC(Cc1cc(Br)c[s]1)CC(O)=O Amb18229962 [0,1,0,0,0,1|2,0,0]=4 1477 B13R1.3424 NC(Cc1ccc(Br)[s]1)CC(O)=O Amb18883672 [0,1,0,0,0,1|2,0,0]=4 1478 B13R1.3424 NC(Cc1ccc(Cl)[s]1)CC(O)=O Amb18226020 [0,1,0,0,0,1|2,0,0]=4 1479 B13R1.554 COC(=O)C(C)CNc1[nH]c[n][n]1 Amb18095575 [0,1,0,0,0,1|2,0,0]=4 1480 B13R1.554 COC(=O)[C@@H](C)NCc1c[n]c[s]1 Amb19086352 [0,1,0,0,0,1|2,0,0]=4 1481 B13R1.3425 C[n]1cc(c[n]1)NCC(N)C(O)=O Amb25354243 [0,1,0,0,0,1|2,0,0]=4 1482 B13R1.3425 NC(C(=O)O)CCc1ccc(s1)Br Amb17473913 [0,1,0,0,0,1|2,0,0]=4 1483 B13R1.3425 NC(C(=O)O)CCc1ccc(s1)Cl Amb17471723 [0,1,0,0,0,1|2,0,0]=4 1484 B13R1.59 CSc1ncc([nH]1)CC(C(=O)O)N Amb17595340 [0,2,0,0,0,0|0,0,0]=2 1485 B13R1.59 C\C=C/1\N=CC(C[C@H](N)C(O)=O)=N1 Amb25238024 [0,2,0,0,0,0|0,0,1]=3 1486 B13R1.59 NC(Cc1ccc(C#N)[s]1)C(O)=O Amb25191963 [0,2,0,0,0,0|2,0,0]=4 1487 B13R1.59 N[C@@H](Cc1cc(C#N)[s]c1)C(O)=O Amb25738978 [0,2,0,0,0,0|2,0,0]=4 1488 B13R1.130 CC(C(O)c1c[n]c(Cl)[s]1)C(O)=O Amb24458362 [0,2,0,0,0,0|2,0,0]=4 1489 B13R1.130 C[n]1c[n]c(c1)C(O)C(N)C(O)=O Amb25743803 [0,2,0,0,0,0|0,0,2]=4 1490 B13R1.130 Cc1[nH]c([n][n]1)C(C)C(C)C(O)=O Amb18192081 [0,2,0,0,0,0|2,0,0]=4 1491 B13R1.130 Cc1[n]c(c[s]1)C(O)C(N)C(O)=O Amb25273576 [0,2,0,0,0,0|1,0,1]=4 1492 B13R1.130 Cc1[n]cc([s]1)C(O)C(N)C(O)=O Amb24685407 [0,2,0,0,0,0|1,0,0]=3 1493 B13R1.130 Cc1cc(c[s]1)C(O)C(N)C(O)=O Amb25830965 [0,2,0,0,0,0|2,0,0]=4 1494 B13R1.130 Cc1ccc(o1)C(O)C(N)C(O)=O Amb18822586 [0,2,0,0,0,0|2,0,0]=4 1495 B13R1.130 NC(C(O)c1c[nH]c(Cl)[n]1)C(O)=O Amb24441533 [0,2,0,0,0,0|0,0,2]=4 1496 B13R1.130 NC(C(O)c1cc(Br)[s]c1)C(O)=O Amb25827914 [0,2,0,0,0,0|2,0,0]=4 1497 B13R1.130 NC(C(O)c1cc(Cl)c[s]1)C(O)=O Amb25035559 [0,2,0,0,0,0|2,0,0]=4 1498 B13R1.130 NC(C(O)c1ccc(Br)o1)C(O)=O Amb25060044 [0,2,0,0,0,0|2,0,0]=4 1499 B13R1.130 N[C@@H]([C@H](O)c1c[nH]c(Cl)[n]1)C(O)=O Amb25128704 [0,2,0,0,0,0|0,0,2]=4 1500 B13R1.134 COC(=O)[C@@H](N)Cc1c[n](C)c[n]1 Amb19930730 [0,2,0,0,0,0|0,0,2]=4 1501 B13R1.134 COC(=O)[C@@H](N)Cc1ccc(Cl)[s]1 Amb24056156 [0,2,0,0,0,0|2,0,0]=4 1502 B13R1.134 COC(=O)[C@H](Cc1ncn(c1)C)N Amb16233903 [0,2,0,0,0,0|0,0,2]=4 1503 B13R1.3429 CC(N)(Cc1cc(Br)c[s]1)C(O)=O Amb24494842 [0,2,0,0,0,0|2,0,0]=4 1504 B13R1.3429 Cc1[n]cc(CC(C)(C)C(O)=O)[s]1 Amb18302887 [0,2,0,0,0,0|2,0,0]=4 1505 B13R1.3449 Cc1[n]c(CC(N)C(O)=O)[nH]c1C Amb18823352 [0,2,0,0,0,0|2,0,0]=4 1506 B13R1.3449 Cc1[s]c(CC(N)C(O)=O)cc1Br Amb25846676 [0,2,0,0,0,0|2,0,0]=4 1507 B13R1.3449 Cc1[s]c(CC(N)C(O)=O)cc1C Amb18187683 [0,2,0,0,0,0|2,0,0]=4 1508 B13R1.3449 Cc1[s]c(C[C@@H](N)C(O)=O)cc1C Amb25370362 [0,2,0,0,0,0|2,0,0]=4 1509 B13R1.3449 Cc1[s]c(C[C@H](N)C(O)=O)cc1Br Amb25099055 [0,2,0,0,0,0|2,0,0]=4 1510 B13R1.3449 NC(Cc1cc(Br)c(Br)[s]1)C(O)=O Amb25155259 [0,2,0,0,0,0|2,0,0]=4 1511 B13R1.3449 NC(Cc1cc(Br)c(Br)o1)C(O)=O Amb25039494 [0,2,0,0,0,0|2,0,0]=4 1512 B13R1.3449 NC(Cc1cc(Br)c(Cl)[s]1)C(O)=O Amb24675155 [0,2,0,0,0,0|2,0,0]=4 1513 B13R1.3449 N[C@@H](Cc1cc(Br)c(Br)[s]1)C(O)=O Amb25345960 [0,2,0,0,0,0|2,0,0]=4 1514 B13R1.3449 N[C@@H](Cc1cc(Br)c(Cl)[s]1)C(O)=O Amb24533254 [0,2,0,0,0,0|2,0,0]=4 1515 B13R1.3481 CC(Cc1[s]c(Cl)[n]c1Cl)C(O)=O Amb24717268 [0,2,0,0,0,0|2,0,0]=4 1516 B13R1.3481 C[n]1c[n+](C)cc1C[C@H](N)C(O)=O Amb25103648 [0,2,0,0,0,0|0,0,1]=3 1517 B13R1.3481 Cc1[nH]c(C)c(C[C@H](N)C(O)=O)[n]1 Amb25759219 [0,2,0,0,0,0|0,0,2]=4 1518 B13R1.3481 Cc1[nH]c(CC(N)C(O)=O)c(C)[n]1 Amb18192054 [0,2,0,0,0,0|0,0,0]=2 1519 B13R1.3481 Cc1[nH]c(F)[n]c1CC(N)C(O)=O Amb24445291 [0,2,0,0,0,0|0,0,2]=4 1520 B13R1.3481 Cc1[nH]c(F)c(CC(N)C(O)=O)[n]1 Amb25070627 [0,2,0,0,0,0|0,0,2]=4 1521 B13R1.3481 Cc1[n][n](C)cc1CC(N)C(O)=O Amb18192055 [0,2,0,0,0,0|2,0,0]=4 1522 B13R1.3481 Cc1[n][n](C)cc1C[C@H](N)C(O)=O Amb24668721 [0,2,0,0,0,0|2,0,0]=4 1523 B13R1.3481 Cc1[n]c(C)[n](CC(N)C(O)=O)[n]1 Amb18294538 [0,2,0,0,0,0|1,0,1]=4 1524 B13R1.3481 Cc1[n]c(C)c(CC(N)C(O)=O)[s]1 Amb18187432 [0,2,0,0,0,0|1,0,0]=3 1525 B13R1.3481 Cc1[n]c(C)c(C[C@H](N)C(O)=O)[s]1 Amb25321156 [0,2,0,0,0,0|1,0,0]=3 1526 B13R1.3481 Cc1cc(C)c(C[C@@H](N)C(O)=O)[nH]1 Amb25674696 [0,2,0,0,0,0|1,0,0]=3 1527 B13R1.3481 Cc1cc(CC(N)C(O)=O)c(C)[s]1 Amb18995881 [0,2,0,0,0,0|2,0,0]=4 1528 B13R1.3481 Cc1cc(C[C@@H](N)C(O)=O)[n](C)[n]1 Amb25180043 [0,2,0,0,0,0|2,0,0]=4 1529 B13R1.3481 Cc1cc(C[C@@H](N)C(O)=O)c(C)[s]1 Amb19084965 [0,2,0,0,0,0|2,0,0]=4 1530 B13R1.3481 Cc1cc(C[C@@H](N)C(O)=O)c(C)o1 Amb24351081 [0,2,0,0,0,0|2,0,0]=4 1531 B13R1.3481 Cc1cc(C[C@H](N)C(O)=O)c(C)o1 Amb25160720 [0,2,0,0,0,0|2,0,0]=4 1532 B13R1.3481 NC(C(=O)O)Cc1nc([nH]c1I)I Amb13881803 [0,2,0,0,0,0|0,0,2]=4 1533 B13R1.3481 NC(Cc1[n]c(Br)[nH]c1Cl)C(O)=O Amb24734881 [0,2,0,0,0,0|0,0,2]=4 1534 B13R1.3481 N[C@@H](Cc1[n]c(I)[nH]c1I)C(O)=O Amb22799485 [0,2,0,0,0,0|0,0,2]=4 1535 B13R1.3481 Nc1[n]c(CC(N)C(O)=O)c(N)[s]1 Amb25366223 [0,2,0,0,0,0|1,0,1]=4 1536 B13R1.3481 c1([2H])nc(nn1CC(C(=O)O)[15NH2])[2H] Amb17620829 [0,2,0,0,0,0|1,0,1]=4 1537 B13R1.5896 CC1=C(C[C@@H](N)C(O)=O)NOC1=O Amb25201689 [0,2,0,0,0,0|2,0,0]=4 1538 B13R1.5896 CC1=C(C[C@H](N)C(O)=O)NOC1=O Amb25366511 [0,2,0,0,0,0|2,0,0]=4 1539 B13R1.5896 C[n]1[n]cc(CC(N)C(O)=O)c1O Amb25766463 [0,2,0,0,0,0|2,0,0]=4 1540 B13R1.5896 C[n]1[n]cc(C[C@H](N)C(O)=O)c1O Amb24390855 [0,2,0,0,0,0|2,0,0]=4 1541 B13R1.5896 C[n]1c[n]c(CC(N)C(O)=O)c1S Amb24600974 [0,2,0,0,0,0|0,0,2]=4 1542 B13R1.5896 Cc1[n][nH]c(CC(N)C(O)=O)c1C Amb18192056 [0,2,0,0,0,0|2,0,0]=4 1543 B13R1.5896 Cc1[n]cc(CC(C)C(O)=O)[n]1C Amb24362280 [0,2,0,0,0,0|1,0,0]=3 1544 B13R1.5896 Cc1[n]cc(CC(N)C(O)=O)[n]1O Amb24433351 [0,2,0,0,0,0|0,0,0]=2 1545 B13R1.5896 Cc1c(Br)c[s]c1C[C@@H](N)C(O)=O Amb25800168 [0,2,0,0,0,0|2,0,0]=4 1546 B13R1.5896 Cc1c(C)[n]c[n]1CC(N)C(O)=O Amb18296533 [0,2,0,0,0,0|2,0,0]=4 1547 B13R1.5896 Cc1c(C[C@H](N)C(O)=O)c[n][n]1C Amb25044003 [0,2,0,0,0,0|2,0,0]=4 1548 B13R1.5896 Cc1c[s]c(CC(N)C(O)=O)c1Cl Amb25844088 [0,2,0,0,0,0|2,0,0]=4 1549 B13R1.5896 Cc1c[s]c(C[C@H](N)C(O)=O)c1Cl Amb24375486 [0,2,0,0,0,0|2,0,0]=4 1550 B13R1.5896 N[C@@H](Cc1o[n]c(O)c1Br)C(O)=O Amb22799616 [0,2,0,0,0,0|2,0,0]=4 1551 B13R1.5896 N[C@H](Cc1o[n]c(O)c1Br)C(O)=O Amb24370073 [0,2,0,0,0,0|2,0,0]=4 1552 B13R1.5898 CC1(CC(N)C(O)=O)C=NC(F)=N1 Amb25690203 [0,2,0,0,0,0|0,0,2]=4 1553 B13R1.5898 CC1=NC(F)(CC(N)C(O)=O)C=N1 Amb25065274 [0,2,0,0,0,0|0,0,2]=4 1554 B13R1.66 CCOC(=O)[C@@H](N)Cc1c[nH]c[n]1 Amb19414014 [0,2,0,0,0,0|0,0,2]=4 1555 B13R1.66 CCOC(=O)[C@@H](N)Cc1c[nH]c[n]1 Amb22745519 [0,2,0,0,0,0|0,0,2]=4 1556 B13R1.704 Cc1cc[s]c1C[C@@H](N)C(=O)OC Amb19375484 [0,2,0,0,0,0|2,0,0]=4 1557 B13R1.721 CN[C@@H](Cc1c[nH]c[n]1)C(=O)OC Amb22745349 [0,2,0,0,0,0|0,0,2]=4 1558 B13R1.1773 COC(=O)C(Cc1ccco1)(N)C Amb17400980 [0,2,0,0,0,0|2,0,0]=4 1559 B13R1.1773 COC(=O)C(Cc1cccs1)(N)C Amb17402302 [0,2,0,0,0,0|2,0,0]=4 1560 B13R1.196 CC(C(C)c1c[n][n][n]1C)C(O)=O Amb25159197 [0,2,0,0,0,0|2,0,0]=4 1561 B13R1.196 CC(C(N)C(O)=O)c1c[n]c[n]1C Amb25300408 [0,2,0,0,0,0|0,0,0]=2 1562 B13R1.196 C[n]1[n][n]cc1C(O)C(N)C(O)=O Amb24624791 [0,2,0,0,0,0|1,0,0]=3 1563 B13R1.196 C[n]1[n]ccc1C(O)C(N)C(O)=O Amb24367504 [0,2,0,0,0,0|2,0,0]=4 1564 B13R1.196 C[n]1cc[n]c1C(O)C(N)C(O)=O Amb25348369 [0,2,0,0,0,0|2,0,0]=4 1565 B13R1.196 Cc1[n]c[s]c1C(C)C(C)C(O)=O Amb18187685 [0,2,0,0,0,0|2,0,0]=4 1566 B13R1.196 Cc1cc[s]c1C(O)C(N)C(O)=O Amb24432417 [0,2,0,0,0,0|2,0,0]=4 1567 B13R1.196 Cc1ccoc1C(O)C(N)C(O)=O Amb24389197 [0,2,0,0,0,0|2,0,0]=4 1568 B13R1.196 NC(C(O)c1[s]ccc1Cl)C(O)=O Amb24532379 [0,2,0,0,0,0|2,0,0]=4 1569 B13R1.196 NC(C(O)c1cc[s]c1Cl)C(O)=O Amb25779464 [0,2,0,0,0,0|2,0,0]=4 1570 B13R1.196 NC(C(O)c1occc1Br)C(O)=O Amb25693944 [0,2,0,0,0,0|2,0,0]=4 1571 B13R1.1007 CC(C)(C(C)C(O)=O)c1ccc[nH]1 Amb24554939 [0,2,0,0,0,0|2,0,0]=4 1572 B13R1.1007 CC(C)(C(N)C(O)=O)c1c[nH]c[n]1 Amb24426261 [0,2,0,0,0,0|0,0,2]=4 1573 B13R1.1071 CC(C)(C(N)c1c[n]c[s]1)C(O)=O Amb25858568 [0,2,0,0,0,0|2,0,0]=4 1574 B13R1.1071 N[C@H](c1ccc[nH]1)C(F)(F)C(O)=O Amb25315273 [0,2,0,0,0,0|2,0,0]=4 1575 B13R1.772 Cc1[n]cc[n]1CC(C)(N)C(O)=O Amb18984341 [0,2,0,0,0,0|2,0,0]=4 1576 B13R1.772 Cc1cc[s]c1CC(C)(N)C(O)=O Amb25850020 [0,2,0,0,0,0|2,0,0]=4 1577 B13R1.2801 C#Cc1c[nH]cc1C[C@@H](N)C(O)=O Amb25348672 [0,2,0,0,0,0|1,0,1]=4 1578 B13R1.2801 CCc1[n]o[n]c1CC(N)C(O)=O Amb18191408 [0,2,0,0,0,0|1,0,1]=4 1579 B13R1.2801 COc1[n]o[n]c1CC(N)C(O)=O Amb18191179 [0,2,0,0,0,0|1,0,1]=4 1580 B13R1.2801 C\C=C/1\N=CN=C1CC(N)C(O)=O Amb25260504 [0,2,0,0,0,0|0,0,1]=3 1581 B13R1.2801 NC(C[n]1cc[n]c1C#N)C(O)=O Amb24729010 [0,2,0,0,0,0|2,0,0]=4 1582 B13R1.2801 NC(Cc1[n]c[nH]c1C#N)C(O)=O Amb25124729 [0,2,0,0,0,0|0,0,2]=4 1583 B13R1.3565 CN1C=NCC1(C)CC(N)C(O)=O Amb25233483 [0,2,0,0,0,0|0,0,2]=4 1584 B13R1.3565 CN1C=NC[C@]1(C)C[C@@H](N)C(O)=O Amb24540860 [0,2,0,0,0,0|0,0,2]=4 1585 B13R1.7553 C[n]1[n][n]c(Br)c1CC(F)C(O)=O Amb25258160 [0,2,0,0,0,0|2,0,0]=4 1586 B13R1.7553 C[n]1[n][n]c(Br)c1CC(N)C(O)=O Amb24395858 [0,2,0,0,0,0|1,0,0]=3 1587 B13R1.7553 C[n]1[n][n]c(Br)c1CC(S)C(O)=O Amb25786855 [0,2,0,0,0,0|2,0,0]=4 1588 B13R1.7553 C[n]1[n]cc(Br)c1CC(N)C(O)=O Amb25103258 [0,2,0,0,0,0|2,0,0]=4 1589 B13R1.7553 C[n]1c[n]c(S)c1CC(N)C(O)=O Amb18130792 [0,2,0,0,0,0|0,0,0]=2 1590 B13R1.7553 Cc1[n][nH]c(C)c1CC(N)C(O)=O Amb19000862 [0,2,0,0,0,0|2,0,0]=4 1591 B13R1.7553 Cc1[n]c[n](C)c1CC(N)C(O)=O Amb25100428 [0,2,0,0,0,0|0,0,0]=2 1592 B13R1.7553 Cc1[n]c[n](C)c1C[C@H](N)C(O)=O Amb25720958 [0,2,0,0,0,0|0,0,0]=2 1593 B13R1.7553 Cc1c[n][n](C)c1CC(N)C(O)=O Amb18192070 [0,2,0,0,0,0|2,0,0]=4 1594 B13R1.7553 Cc1c[n][n](O)c1C[C@H](N)C(O)=O Amb25034167 [0,2,0,0,0,0|2,0,0]=4 1595 B13R1.7553 Cc1o[n]c(C)c1CC(N)C(O)=O Amb18560927 [0,2,0,0,0,0|2,0,0]=4 1596 B13R1.7553 Cc1o[n]c(O)c1CC(N)C(O)=O Amb22349653 [0,2,0,0,0,0|2,0,0]=4 1597 B13R1.7553 Cc1o[n]c(O)c1C[C@@H](N)C(O)=O Amb19930306 [0,2,0,0,0,0|2,0,0]=4 1598 B13R1.7553 Cc1o[n]c(O)c1C[C@@H](N)C(O)=O Amb22748033 [0,2,0,0,0,0|2,0,0]=4 1599 B13R1.7553 Cc1o[n]c(O)c1C[C@H](N)C(O)=O Amb19930305 [0,2,0,0,0,0|2,0,0]=4 1600 B13R1.7553 OC(=O)C(Cc1c(C)onc1O)N Amb10068486 [0,2,0,0,0,0|2,0,0]=4 1601 B13R1.7553 OC(=O)C(Cc1c(C)onc1O)N Amb10068487 [0,2,0,0,0,0|2,0,0]=4 1602 B13R1.7553 O[13C](=O)[13CH](Cc1c(C)onc1O)[15NH2] Amb17608102 [0,2,0,0,0,0|2,0,0]=4 1603 B13R1.695 OC(=O)[C@@H](Cc1c[nH]c[n]1)NC=O Amb18322468 [0,2,0,0,0,0|0,0,2]=4 1604 B13R1.3571 CN(C(C(=O)O)Cc1ccco1)C Amb17233981 [0,2,0,0,0,0|2,0,0]=4 1605 B13R1.3571 CN(C(C(=O)O)Cc1cccs1)C Amb17236955 [0,2,0,0,0,0|2,0,0]=4 1606 B13R1.5639 NC(Cc1c[n]c[nH]1)(CF)C(O)=O Amb24117214 [0,2,0,0,0,0|0,0,0]=2 1607 B13R1.5639 NNC(C(=O)O)(Cc1ccco1)C Amb17401004 [0,2,0,0,0,0|2,0,0]=4 1608 B13R1.5639 NNC(C(=O)O)(Cc1cccs1)C Amb17402354 [0,2,0,0,0,0|2,0,0]=4 1609 B13R1.5639 N[C@@](Cc1c[n]c[nH]1)(CF)C(O)=O Amb19132352 [0,2,0,0,0,0|0,0,0]=2 1610 B11R1.74 O=C1NC(=N)SC(C1)C(=O)O Amb1042569 [0,0,1,1,0,0|2,0,0]=4 1611 B11R1.74 OC(=O)C1CC(=S)NC(=O)N1 Amb25713486 [0,0,1,1,0,0|2,0,0]=4 1612 B11R1.36 NC(C(O)=O)c1c[n]c[n]c1 Amb24485788 [0,0,1,1,0,0|0,0,2]=4 1613 B11R1.36 N[C@@H](C(O)=O)c1c[n]c[n]c1 Amb24485751 [0,0,1,1,0,0|0,0,2]=4 1614 B11R1.36 N[C@@H](C(O)=O)c1ccc[n]c1 Amb24074448 [0,0,1,1,0,0|1,0,1]=4 1615 B11R1.36 N[C@H](C(O)=O)c1c[n]c[n]c1 Amb24484501 [0,0,1,1,0,0|0,0,2]=4 1616 B11R1.36 OC(=O)C(c1cccnc1)N Amb10632723 [0,0,1,1,0,0|1,0,1]=4 1617 B11R2.8 NC1C[n]2cc[n]c2C1=O Amb25178768 [1,0,0,1,0,0|2,0,0]=4 1618 B11R2.8 NC1Cc2[s]ccc2C1=O Amb18831125 [1,0,0,1,0,0|2,0,0]=4 1619 B11R2.15 O=CC1Cc2c[n]c[n]2C1 Amb24433478 [1,0,0,1,0,0|1,0,0]=3 1620 B11R2.15 O=CC1Cc2cc[nH]c2C1 Amb18832508 [1,0,0,1,0,0|2,0,0]=4 1621 B11R2.36 NC1Cc2c[n]c[n]2CC1 Amb18832346 [1,0,0,1,0,0|1,0,1]=4 1622 B11R2.36 NC1Cc2c[n]c[n]2CC1 Amb22035335 [1,0,0,1,0,0|1,0,1]=4 1623 B13R2.369 NC1Cc2c[n]ccc2NC1=O Amb20241350 [0,0,0,1,0,1|2,0,0]=4 1624 B13R2.369 NC1Cc2ccc[n]c2NC1=O Amb23571829 [0,0,0,1,0,1|2,0,0]=4 1625 B13R2.369 NC1Cc2ccccc2OC1=O Amb18645811 [0,0,0,1,0,1|2,0,0]=4 1626 B13R2.423 OC(=O)C1CC1c2c[n]c[n]c2 Amb23571328 [0,0,0,1,0,1|1,0,1]=4 1627 B13R2.423 OC(=O)C1CC1c2cc[n]c[n]2 Amb24662852 [0,0,0,1,0,1|1,0,1]=4 1628 B13R2.423 OC(=O)C1CC1c2cc[n]cc2 Amb19514911 [0,0,0,1,0,1|2,0,0]=4 1629 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2cc[n]cc2 Amb25299768 [0,0,0,1,0,1|2,0,0]=4 1630 B13R2.423 OC(=O)[C@H]1CC1c2cc[n]cc2 Amb24685293 [0,0,0,1,0,1|2,0,0]=4 1631 B13R2.435 OC(=O)C1Cc2[n]cc[n]c2C1 Amb18829015 [0,0,0,1,0,1|1,0,1]=4 1632 B13R2.435 OC(=O)C1Cc2c(N1)cccc2 Amb1914079 [0,0,0,1,0,1|2,0,0]=4 1633 B13R2.435 OC(=O)C1Cc2c[n]c[n]c2C1 Amb18829042 [0,0,0,1,0,1|1,0,1]=4 1634 B13R2.435 OC(=O)C1Cc2c[n]ccc2C1 Amb24113166 [0,0,0,1,0,1|2,0,0]=4 1635 B13R2.435 OC(=O)C1Cc2c[n]ccc2C1 Amb24563347 [0,0,0,1,0,1|2,0,0]=4 1636 B13R2.435 OC(=O)C1Cc2cc[n]cc2O1 Amb24654010 [0,0,0,1,0,1|2,0,0]=4 1637 B13R2.435 OC(=O)C1Cc2ccc[n]c2C1 Amb18829466 [0,0,0,1,0,1|2,0,0]=4 1638 B13R2.435 OC(=O)C1Cc2ccc[n]c2O1 Amb25276744 [0,0,0,1,0,1|2,0,0]=4 1639 B13R2.435 OC(=O)[C@@H]1Cc2ccc[n]c2C1 Amb25685295 [0,0,0,1,0,1|2,0,0]=4 1640 B13R2.435 OC(=O)[C@@H]1Cc2ccc[n]c2N1 Amb22746980 [0,0,0,1,0,1|1,0,0]=3 1641 B13R2.142 O=C1N[C@@H](Cc2c[n]c[nH]2)CO1 Amb25055292 [0,0,0,1,0,1|1,0,0]=3 1642 B13R2.543 OC(=O)CC1Cc2c[n]c[n]2C1 Amb18827834 [0,0,0,1,0,1|1,0,0]=3 1643 B13R2.3077 CC1C(C1C(O)=O)c2c[n]c[nH]2 Amb25124765 [0,0,0,1,0,1|1,0,0]=3 1644 B13R2.3077 C[C@@H]1[C@H]([C@H]1C(O)=O)c2c[n]c[nH]2 Amb24519280 [0,0,0,1,0,1|1,0,0]=3 1645 B13R2.149 CC1NC(NC1=O)c2c[n]c[nH]2 Amb25816244 [0,0,0,1,0,1|2,0,0]=4 1646 B13R2.149 O=C1OC(CC1N)c2cccs2 Amb17470658 [0,0,0,1,0,1|2,0,0]=4 1647 B13R2.232 NC1CCc2[nH]ccc2NC1=O Amb24341706 [0,0,0,1,0,1|2,0,0]=4 1648 B13R2.430 NC(=O)[C@@H]1Cc2[n]c[nH]c2CN1 Amb24444251 [0,0,0,1,0,1|2,0,0]=4 1649 B13R2.430 O=C(Cl)[C@H]1Cc2[n]c[nH]c2CC1 Amb25124089 [0,0,0,1,0,1|2,0,0]=4 1650 B13R2.430 OC(=O)C1C[n]2[n][n]cc2CN1 Amb24559378 [0,0,0,1,0,1|2,0,0]=4 1651 B13R2.430 OC(=O)C1C[n]2[n][n]cc2SC1 Amb20622775 [0,0,0,1,0,1|2,0,0]=4 1652 B13R2.430 OC(=O)C1C[n]2c[n]cc2CC1 Amb18827836 [0,0,0,1,0,1|1,0,0]=3 1653 B13R2.430 OC(=O)C1C[n]2c[n]cc2CN1 Amb24708153 [0,0,0,1,0,1|1,0,0]=3 1654 B13R2.430 OC(=O)C1Cc2[n]c[nH]c2CC1 Amb19957715 [0,0,0,1,0,1|1,0,0]=3 1655 B13R2.430 OC(=O)C1NCc2c(C1)nc[nH]2 Amb1293447 [0,0,0,1,0,1|1,0,0]=3 1656 B13R2.430 OC(=O)[C@@H]1Cc2[n]c[nH]c2CN1 Amb22902282 [0,0,0,1,0,1|1,0,0]=3 1657 B13R2.430 OC(=O)[C@H]1Cc2[n]c[nH]c2CC1 Amb25222675 [0,0,0,1,0,1|1,0,0]=3 1658 B13R2.436 OC(=O)C1CC(C1)c2ccc[nH]2 Amb25246197 [0,0,0,1,0,1|2,0,0]=4 1659 B13R2.5588 NC1(CCc2c[nH]cc12)C(O)=O Amb24664742 [0,0,0,1,0,1|1,0,1]=4 1660 B13R2.5588 NC1(CCc2o[n]cc12)C(O)=O Amb25268362 [0,0,0,1,0,1|2,0,0]=4 1661 B13R2.5590 NC1(CC1c2c[nH][n]c2)C(O)=O Amb23456105 [0,0,0,1,0,1|2,0,0]=4 1662 B13R2.5590 NC1(CC1c2c[n]c[nH]2)C(O)=O Amb23456104 [0,0,0,1,0,1|0,0,0]=2 1663 B13R2.5590 NC1(CC1c2ccco2)C(O)=O Amb23588576 [0,0,0,1,0,1|2,0,0]=4 1664 B13R2.5590 OC(=O)C1(N)CC1c2cccs2 Amb17606184 [0,0,0,1,0,1|2,0,0]=4 1665 B13R2.400 Cc1[nH]c2CC(Cc2[n]1)C(O)=O Amb18827914 [0,1,0,1,0,0|1,0,0]=3 1666 B13R2.400 Cc1[nH]c2cc([nH]c2[n]1)C(O)=O Amb18828583 [0,1,0,1,0,0|0,0,2]=4 1667 B13R2.400 Nc1[n]c2CC(Cc2[s]1)C(O)=O Amb23454095 [0,1,0,1,0,0|2,0,0]=4 1668 B13R2.400 OC(=O)C1Cc2[n]c(Br)[s]c2N1 Amb24392277 [0,1,0,1,0,0|1,0,1]=4 1669 B13R2.3678 C[n]1[n][n]c2CC(Cc12)C(O)=O Amb24696941 [0,1,0,1,0,0|2,0,0]=4 1670 B13R2.3678 C[n]1c[n]c2CC(Cc12)C(O)=O Amb18827821 [0,1,0,1,0,0|1,0,0]=3 1671 B13R2.3678 C[n]1c[n]c2[nH]c(cc12)C(O)=O Amb18828582 [0,1,0,1,0,0|0,0,2]=4 1672 B13R2.3678 Cc1[n][n]c2CC(C[n]21)C(O)=O Amb24426350 [0,1,0,1,0,0|2,0,0]=4 1673 B13R2.29 O=C1OCCC1Cc2c[n]c[nH]2 Amb24611164 [0,1,0,1,0,0|1,0,0]=3 1674 B13R2.531 COC(=O)C1Cc2ccc[n]2C1 Amb25072747 [0,1,0,1,0,0|2,0,0]=4 1675 B13R2.432 OC(=O)C1CCC1c2ccc[nH]2 Amb24640952 [0,1,0,1,0,0|2,0,0]=4 1676 B13R2.3437 C[n]1[n][n]cc1C2CC2C(O)=O Amb24709428 [0,1,0,1,0,0|2,0,0]=4 1677 B13R2.3437 C[n]1c[n][n]c1C2CC2C(O)=O Amb18286997 [0,1,0,1,0,0|2,0,0]=4 1678 B13R2.3437 C[n]1c[n]cc1C2CC2C(O)=O Amb25722288 [0,1,0,1,0,0|1,0,0]=3 1679 B13R2.3437 C[n]1c[n]cc1[C@@H]2C[C@H]2C(O)=O Amb24752425 [0,1,0,1,0,0|1,0,0]=3 1680 B13R2.3437 C[n]1cccc1C2CC2C(O)=O Amb23538765 [0,1,0,1,0,0|2,0,0]=4 1681 B13R2.3437 Cc1[n]c[s]c1C2CC2C(O)=O Amb25127151 [0,1,0,1,0,0|2,0,0]=4 1682 B9R1.11 C=CC(N)c1[nH]c[n][n]1 Amb25334006 [1,0,0,0,1,0|2,0,0]=4 1683 B9R1.11 C=CC(N)c1c[n]c[s]1 Amb24495118 [1,0,0,0,1,0|2,0,0]=4 1684 B9R1.11 C=CC(N)c1ccc[nH]1 Amb24477837 [1,0,0,0,1,0|2,0,0]=4 1685 B9R1.11 CC(C=O)c1ccc[nH]1 Amb24349735 [1,0,0,0,1,0|2,0,0]=4 1686 B9R1.11 NC(=NO)c1c[n]c[nH]1 Amb25694412 [1,0,0,0,1,0|1,0,1]=4 1687 B9R1.11 NC(CO)c1[nH]c[n][n]1 Amb18282698 [1,0,0,0,1,0|1,0,1]=4 1688 B9R1.11 NC(CO)c1c[n]c[s]1 Amb18831492 [1,0,0,0,1,0|1,0,1]=4 1689 B9R1.11 NC(CO)c1c[n]co1 Amb22713444 [1,0,0,0,1,0|1,0,1]=4 1690 B9R1.11 NC(CO)c1ccc[nH]1 Amb24564289 [1,0,0,0,1,0|1,0,1]=4 1691 B9R1.11 N[C@@H](CO)c1ccc[nH]1 Amb24692347 [1,0,0,0,1,0|1,0,1]=4 1692 B9R1.11 N[C@H](C=O)c1c[n]c[nH]1 Amb25084959 [1,0,0,0,1,0|0,0,0]=2 1693 B9R1.11 N[C@H](CO)c1ccc[nH]1 Amb25696955 [1,0,0,0,1,0|1,0,1]=4 1694 B9R1.110 N[C@H](C(O)=O)C=1CCC1 Amb25680165 [0,0,0,0,2,0|1,0,1]=4 1695 B11R1.40 CC(Cc1c[n]c[n]c1)C=O Amb25056320 [1,0,0,0,0,1|1,0,1]=4 1696 B11R1.40 CC(Cc1c[n]cc[n]1)C=O Amb25806959 [1,0,0,0,0,1|1,0,1]=4 1697 B11R1.40 C[C@@H](Cc1cc[n]cc1)C=O Amb24608169 [1,0,0,0,0,1|2,0,0]=4 1698 B11R1.40 NC(CO)Cc1cc[n]c[n]1 Amb24099661 [1,0,0,0,0,1|0,0,2]=4 1699 B11R1.40 N[C@H](Cc1ccccc1)C=O Amb24746755 [1,0,0,0,0,1|2,0,0]=4 1700 B11R1.40 O=CC(Br)Cc1c[n]ccc1 Amb25365114 [1,0,0,0,0,1|2,0,0]=4 1701 B11R1.40 O=CC(F)Cc1cc[n]cc1 Amb25053677 [1,0,0,0,0,1|2,0,0]=4 1702 B11R1.40 OC(Cc1c[n]ccc1)C=O Amb24533570 [1,0,0,0,0,1|2,0,0]=4 1703 B11R1.40 OC(Cc1cc[n]cc1)C=O Amb24751695 [1,0,0,0,0,1|2,0,0]=4 1704 B11R1.40 OCC(Cc1cccnc1)N Amb17062683 [1,0,0,0,0,1|1,0,1]=4 1705 B11R1.40 OCC(Cc1ccncc1)N Amb17062684 [1,0,0,0,0,1|1,0,1]=4 1706 B11R1.91 CC(=O)CCc1c[n]cc[n]1 Amb25307907 [1,0,0,0,0,1|1,0,1]=4 1707 B11R1.91 CC(=O)CCc1cccnc1 Amb17507164 [1,0,0,0,0,1|2,0,0]=4 1708 B11R1.91 CC(=O)CCc1ccncc1 Amb17507165 [1,0,0,0,0,1|2,0,0]=4 1709 B11R1.91 NC(=O)CCc1c[n]c[n]c1 Amb23571326 [1,0,0,0,0,1|1,0,1]=4 1710 B11R1.91 NC(=O)CCc1c[n]cc[n]1 Amb25321905 [1,0,0,0,0,1|1,0,1]=4 1711 B11R1.91 NC(=O)CCc1ccncc1 Amb10553007 [1,0,0,0,0,1|2,0,0]=4 1712 B11R1.91 O=C(Cl)CCc1ccc[n]c1 Amb24077445 [1,0,0,0,0,1|2,0,0]=4 1713 B11R1.91 OC(=O)CCc1[n][n]cc[n]1 Amb18201164 [1,0,0,0,0,1|1,0,1]=4 1714 B11R1.91 OC(=O)CCc1[n]c[n]c[n]1 Amb18862491 [1,0,0,0,0,1|0,0,1]=3 1715 B11R1.91 OC(=O)CCc1c[n][n]c[n]1 Amb18201165 [1,0,0,0,0,1|0,0,1]=3 1716 B11R1.91 OC(=O)CCc1c[n]c[n]c1 Amb18201449 [1,0,0,0,0,1|0,0,1]=3 1717 B11R1.91 OC(=O)CCc1cc[n][n]c1 Amb22499259 [1,0,0,0,0,1|1,0,0]=3 1718 B11R1.91 OC(=O)CCc1ccc[n][n]1 Amb23592184 [1,0,0,0,0,1|1,0,1]=4 1719 B11R1.91 OC(=O)CCc1ccccc1 Amb22366916 [1,0,0,0,0,1|2,0,0]=4 1720 B11R1.91 OC(=O)CCc1ccccn1 Amb1102533 [1,0,0,0,0,1|1,0,1]=4 1721 B11R1.91 OC(=O)CCc1cccnc1 Amb1214870 [1,0,0,0,0,1|1,0,0]=3 1722 B11R1.91 OC(=O)CCc1ccncc1 Amb1090849 [1,0,0,0,0,1|1,0,0]=3 1723 B11R1.91 OC(=O)CNc1c[n]c[n]c1 Amb18933571 [1,0,0,0,0,1|1,0,1]=4 1724 B11R1.91 OC(=O)CNc1cc[n]c[n]1 Amb18973871 [1,0,0,0,0,1|1,0,1]=4 1725 B11R1.91 OC(=O)CNc1cc[n]cc1 Amb21955325 [1,0,0,0,0,1|2,0,0]=4 1726 B11R1.91 OC(=O)CNc1ccc[n]c1 Amb22035240 [1,0,0,0,0,1|2,0,0]=4 1727 B11R1.91 OC(=O)CNc1cccnc1 Amb17593781 [1,0,0,0,0,1|2,0,0]=4 1728 B11R1.91 OC(=O)COc1c[n]ccc1 Amb22738612 [1,0,0,0,0,1|2,0,0]=4 1729 B11R1.91 OC(=O)COc1cc[n]cc1 Amb18125520 [1,0,0,0,0,1|2,0,0]=4 1730 B11R1.91 OC(=O)CSc1cc[n][n]c1 Amb24670204 [1,0,0,0,0,1|2,0,0]=4 1731 B11R1.91 OC(=O)CSc1cc[n]cc1 Amb24053001 [1,0,0,0,0,1|2,0,0]=4 1732 B11R1.91 OC(=O)CSc1ccc[n]c1 Amb24692785 [1,0,0,0,0,1|2,0,0]=4 1733 B11R1.91 OC(=O)[13CH2][13CH2]c1ccccc1 Amb22336575 [1,0,0,0,0,1|2,0,0]=4 1734 B11R1.91 OS(=O)CCc1cc[n]cc1 Amb24546017 [1,0,0,0,0,1|2,0,0]=4 1735 B11R1.91 O[13C](=O)[13CH2][13CH2]c1ccccc1 Amb22336771 [1,0,0,0,0,1|2,0,0]=4 1736 B11R1.172 C=C(Br)CNCc1c[n]c[nH]1 Amb25382025 [1,0,0,0,0,1|2,0,0]=4 1737 B11R1.172 CC(=C)CNCc1c[n]c[nH]1 Amb24755288 [1,0,0,0,0,1|2,0,0]=4 1738 B11R1.172 CC(=N)NCCc1c[n]c[nH]1 Amb25172795 [1,0,0,0,0,1|2,0,0]=4 1739 B11R1.172 CC(=O)CCCc1c[n]c[s]1 Amb25379875 [1,0,0,0,0,1|2,0,0]=4 1740 B11R1.172 CC(=O)OCCc1c[n]c[nH]1 Amb25385267 [1,0,0,0,0,1|1,0,0]=3 1741 B11R1.172 CC(O)CNCc1c[n]c[nH]1 Amb18181980 [1,0,0,0,0,1|1,0,1]=4 1742 B11R1.172 C[C@@H](O)CNCc1c[n]c[nH]1 Amb24755149 [1,0,0,0,0,1|1,0,1]=4 1743 B11R1.172 C[C@H](O)CNCc1c[n]c[nH]1 Amb24755134 [1,0,0,0,0,1|1,0,1]=4 1744 B11R1.172 NC(=N)NCCc1c[n]c[nH]1 Amb25284734 [1,0,0,0,0,1|2,0,0]=4 1745 B11R1.172 NC(=O)CNCc1c[n]c[nH]1 Amb18181868 [1,0,0,0,0,1|1,0,0]=3 1746 B11R1.172 NC(=O)CNCc1c[n]c[s]1 Amb18313859 [1,0,0,0,0,1|2,0,0]=4 1747 B11R1.172 NC(=O)CNCc1c[n]co1 Amb18200483 [1,0,0,0,0,1|2,0,0]=4 1748 B11R1.172 NC(=O)CNCc1ccc[nH]1 Amb19035076 [1,0,0,0,0,1|2,0,0]=4 1749 B11R1.172 NC(=S)NCCc1c[n]c[nH]1 Amb24486654 [1,0,0,0,0,1|1,1,0]=4 1750 B11R1.172 OC(=O)CCC[n]1c[n]c[n]1 Amb22586679 [1,0,0,0,0,1|1,0,1]=4 1751 B11R1.172 OC(=O)CCCc1[nH][n][n][n]1 Amb18862521 [1,0,0,0,0,1|2,0,0]=4 1752 B11R1.172 OC(=O)CCCc1[nH]cc[n]1 Amb18200818 [1,0,0,0,0,1|2,0,0]=4 1753 B11R1.172 OC(=O)CCCc1[n]c[n][s]1 Amb18198313 [1,0,0,0,0,1|1,0,1]=4 1754 B11R1.172 OC(=O)CCCc1c[nH]nc1 Amb10607364 [1,0,0,0,0,1|2,0,0]=4 1755 B11R1.172 OC(=O)CCCc1c[n][s][n]1 Amb24764410 [1,0,0,0,0,1|1,0,1]=4 1756 B11R1.172 OC(=O)CCCc1c[n]c[nH]1 Amb18200801 [1,0,0,0,0,1|0,0,0]=2 1757 B11R1.172 OC(=O)CCCc1c[n]c[s]1 Amb18198607 [1,0,0,0,0,1|1,0,0]=3 1758 B11R1.172 OC(=O)CCCc1c[n]co1 Amb18200538 [1,0,0,0,0,1|1,0,0]=3 1759 B11R1.172 OC(=O)CCCc1c[n]oc1 Amb25382179 [1,0,0,0,0,1|2,0,0]=4 1760 B11R1.172 OC(=O)CCCc1c[s]c[n]1 Amb18062607 [1,0,0,0,0,1|1,0,1]=4 1761 B11R1.172 OC(=O)CCCc1cc[nH]c1 Amb18065398 [1,0,0,0,0,1|1,0,1]=4 1762 B11R1.172 OC(=O)CCCc1cc[n]o1 Amb18200545 [1,0,0,0,0,1|2,0,0]=4 1763 B11R1.172 OC(=O)CCCc1cc[s]c1 Amb22000608 [1,0,0,0,0,1|2,0,0]=4 1764 B11R1.172 OC(=O)CCCc1ccco1 Amb18125675 [1,0,0,0,0,1|2,0,0]=4 1765 B11R1.172 OC(=O)CCCc1cccs1 Amb1152340 [1,0,0,0,0,1|2,0,0]=4 1766 B11R1.172 OC(=O)CCCc1ccoc1 Amb25385034 [1,0,0,0,0,1|2,0,0]=4 1767 B11R1.172 OC(=O)CCCc1coc[n]1 Amb18200521 [1,0,0,0,0,1|1,0,1]=4 1768 B11R1.172 OC(=O)CCCc1nnco1 Amb17138462 [1,0,0,0,0,1|2,0,0]=4 1769 B11R1.172 OC(=O)CCCn1cncc1 Amb13949166 [1,0,0,0,0,1|2,0,0]=4 1770 B11R1.172 OC(=O)CCCn1cncn1 Amb1102653 [1,0,0,0,0,1|1,0,1]=4 1771 B11R1.172 OC(=O)CCNc1[nH]c[n][n]1 Amb18604973 [1,0,0,0,0,1|1,0,0]=3 1772 B11R1.172 OC(=O)CCNc1[n][n]c[s]1 Amb18092003 [1,0,0,0,0,1|2,0,0]=4 1773 B11R1.172 OC(=O)CCSc1ncn[nH]1 Amb1133501 [1,0,0,0,0,1|1,0,1]=4 1774 B11R1.172 OC(=O)CCSc1nnco1 Amb17138715 [1,0,0,0,0,1|2,0,0]=4 1775 B11R1.172 OC(=O)CCSc1nncs1 Amb1127011 [1,0,0,0,0,1|2,0,0]=4 1776 B11R1.172 OC(=O)CCSc1nnn[nH]1 Amb17073884 [1,0,0,0,0,1|2,0,0]=4 1777 B11R1.172 OC(=O)CNCc1[nH][n][n][n]1 Amb25379750 [1,0,0,0,0,1|2,0,0]=4 1778 B11R1.172 OC(=O)CNCc1[nH]cc[n]1 Amb18307045 [1,0,0,0,0,1|2,0,0]=4 1779 B11R1.172 OC(=O)CNCc1c[nH][n]c1 Amb24762769 [1,0,0,0,0,1|2,0,0]=4 1780 B11R1.172 OC(=O)CNCc1c[n][s][n]1 Amb24764340 [1,0,0,0,0,1|1,0,1]=4 1781 B11R1.172 OC(=O)CNCc1c[n]c[nH]1 Amb18181943 [1,0,0,0,0,1|0,0,0]=2 1782 B11R1.172 OC(=O)CNCc1c[n]c[s]1 Amb18314219 [1,0,0,0,0,1|1,0,0]=3 1783 B11R1.172 OC(=O)CNCc1cc[nH]c1 Amb18243535 [1,0,0,0,0,1|1,0,1]=4 1784 B11R1.172 OC(=O)CNCc1ccc[nH]1 Amb18308340 [1,0,0,0,0,1|1,0,0]=3 1785 B11R1.172 OC(=O)COCc1[nH][n][n][n]1 Amb25379751 [1,0,0,0,0,1|2,0,0]=4 1786 B11R1.172 OC(=O)COCc1[n]c[n]o1 Amb18306338 [1,0,0,0,0,1|1,0,1]=4 1787 B11R1.172 OC(=O)COCc1c[n][s][n]1 Amb24764341 [1,0,0,0,0,1|1,0,1]=4 1788 B11R1.172 OC(=O)COCc1c[s]c[n]1 Amb24762009 [1,0,0,0,0,1|1,0,1]=4 1789 B11R1.172 OC(=O)COCc1ccc[s]1 Amb19015456 [1,0,0,0,0,1|2,0,0]=4 1790 B11R1.172 OC(=O)CSCc1[nH][n][n][n]1 Amb25379753 [1,0,0,0,0,1|2,0,0]=4 1791 B11R1.172 OC(=O)CSCc1[nH]cc[n]1 Amb19373574 [1,0,0,0,0,1|2,0,0]=4 1792 B11R1.172 OC(=O)CSCc1c[n][s][n]1 Amb24764394 [1,0,0,0,0,1|1,0,1]=4 1793 B11R1.172 OC(=O)CSCc1c[s]c[n]1 Amb22088521 [1,0,0,0,0,1|1,0,1]=4 1794 B11R1.172 OC(=O)CSCc1ccoc1 Amb18647634 [1,0,0,0,0,1|2,0,0]=4 1795 B11R1.172 OC(=O)C\C=C\c1ccc[nH]1 Amb25716959 [1,0,0,0,0,1|1,0,1]=4 1796 B11R1.172 OC(=O)OCCc1cc[nH]c1 Amb24070008 [1,0,0,0,0,1|1,0,1]=4 1797 B13R1.348 CC(Cc1cccnc1)CC(=O)O Amb17335287 [0,0,0,0,0,2|2,0,0]=4 1798 B13R1.348 CC(Cc1ccncc1)CC(=O)O Amb17335288 [0,0,0,0,0,2|2,0,0]=4 1799 B13R1.348 NC(Cc1ccccc1)CC(O)=O Amb20623358 [0,0,0,0,0,2|2,0,0]=4 1800 B13R1.348 NC(Cc1ccccn1)CC(=O)O Amb17470627 [0,0,0,0,0,2|1,0,1]=4 1801 B13R1.348 NC(Cc1cccnc1)CC(=O)O Amb17470630 [0,0,0,0,0,2|1,0,0]=3 1802 B13R1.348 NC(Cc1ccncc1)CC(=O)O Amb17470634 [0,0,0,0,0,2|1,0,0]=3 1803 B13R1.348 N[C@@H](Cc1cc[n]cc1)CC(O)=O Amb22746344 [0,0,0,0,0,2|1,0,0]=3 1804 B13R1.348 N[C@@H](Cc1ccc[n]c1)CC(O)=O Amb22746342 [0,0,0,0,0,2|1,0,0]=3 1805 B13R1.351 CC(C(=O)O)CCc1ccncc1 Amb17335289 [0,0,0,0,0,2|2,0,0]=4 1806 B13R1.351 CC(CNc1c[n]cc[n]1)C(O)=O Amb19027740 [0,0,0,0,0,2|1,0,1]=4 1807 B13R1.351 CC(CNc1cc[n]c[n]1)C(O)=O Amb19027717 [0,0,0,0,0,2|1,0,1]=4 1808 B13R1.351 CC(CNc1cc[n]cc1)C(O)=O Amb19027731 [0,0,0,0,0,2|2,0,0]=4 1809 B13R1.351 NC(C(=O)O)CCc1ccncc1 Amb17470633 [0,0,0,0,0,2|1,0,0]=3 1810 B13R1.351 NC(CCc1cccc[n]1)C(O)=O Amb24117831 [0,0,0,0,0,2|1,0,1]=4 1811 B13R1.351 NC(CNc1ccccc1)C(O)=O Amb25360987 [0,0,0,0,0,2|2,0,0]=4 1812 B13R1.351 NC(CSc1ccccc1)C(O)=O Amb18325246 [0,0,0,0,0,2|2,0,0]=4 1813 B13R1.351 N[C@H](CCc1ccccc1)C(O)=O Amb17872441 [0,0,0,0,0,2|2,0,0]=4 1814 B13R1.351 N[C@H](CNc1ccccc1)C(O)=O Amb24652450 [0,0,0,0,0,2|2,0,0]=4 1815 B13R1.351 OC(=O)C(CCc1ccccn1)N Amb1101108 [0,0,0,0,0,2|1,0,1]=4 1816 B13R1.351 OC(=O)C(CCc1cccnc1)C Amb17233532 [0,0,0,0,0,2|2,0,0]=4 1817 B13R1.351 OC(=O)C(NCc1cccnc1)C Amb10199875 [0,0,0,0,0,2|2,0,0]=4 1818 B13R1.351 OC(=O)C(NCc1cccnc1)C Amb1110808 [0,0,0,0,0,2|2,0,0]=4