0 B13R2.12159 CC1(C)NC(=N)c2ccccc12 Amb25770495 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.12159 CC1(C)NC(=O)c2ccccc12 Amb22899742 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.12159 CC1(C)OC(=O)c2ccccc12 Amb17778630 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.12159 CC1(O)NC(=O)c2ccccc12 Amb25041083 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.12159 CC1(O)OC(=O)c2ccccc12 Amb24060114 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.12159 CC1=NS(=O)(=O)c2ccccc21 Amb19148057 [0,0,0,0,0,0|1,0,1]=2 6 B13R2.12159 CC1NS(=O)(=O)c2ccccc21 Amb22497137 [0,0,0,0,0,0|1,0,1]=2 7 B13R2.12159 NC1(N)OC(=O)c2ccccc12 Amb24692757 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.12159 NC1=CS(=O)(=O)c2ccccc21 Amb23403652 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.12159 NC1=CS(=O)(=O)c2ccccc21 Amb23403653 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.12159 O=C1NS(=O)(=O)[13c]2[13c]1[13cH][13cH][13cH][13cH]2 Amb17620013 [0,0,0,0,0,0|0,0,0]=0 11 B13R2.12159 O=C1NS(=O)(=O)c2[n]cccc12 Amb21963710 [0,0,0,0,0,0|1,0,0]=1 12 B13R2.12159 O=C1NS(=O)(=O)c2c[n]c[n]c12 Amb25274851 [0,0,0,0,0,0|2,0,0]=2 13 B13R2.12159 O=C1NS(=O)(=O)c2ccccc12 Amb22167826 [0,0,0,0,0,0|0,0,0]=0 14 B13R2.12159 O=C1OC(c2c1cccc2)(Cl)Cl Amb16233588 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.12159 O=S1(=O)CC(S)c2ccccc12 Amb24706010 [0,0,0,0,0,0|1,1,1]=3 16 B13R2.12159 O=S1(=O)N=C(I)c2ccccc12 Amb24373658 [0,0,0,0,0,0|1,0,1]=2 17 B13R2.12159 O=S1(=O)NC(=S)c2ccccc12 Amb22496761 [0,0,0,0,0,0|0,1,0]=1 18 B13R2.12159 O=S1(=O)[N-]C(=O)c2ccccc12 Amb22732720 [0,0,0,0,0,0|0,0,1]=1 19 B13R2.12159 OC1=NS(=O)(=O)c2ccccc21 Amb22058725 [0,0,0,0,0,0|0,0,2]=2 20 B13R2.12159 OC1CS(=O)(=O)c2ccccc21 Amb21927660 [0,0,0,0,0,0|1,0,2]=3 21 B13R2.12159 OS1(O)NC(=O)c2ccccc12 Amb25188251 [0,0,0,0,0,0|0,0,3]=3 22 B13R2.12159 O[C@@H]1CS(=O)(=O)c2ccccc21 Amb25145364 [0,0,0,0,0,0|1,0,2]=3 23 B13R2.12159 [O-]C1=NS(=O)(=O)c2ccccc21 Amb22347862 [0,0,0,0,0,0|0,0,2]=2 24 B13R2.12159 [O-]C1=NS(=O)(=O)c2ccccc21 Amb22535968 [0,0,0,0,0,0|0,0,2]=2 25 B12R2.2028 C=C1NC(=O)c2ccccc21 Amb20671447 [1,0,0,0,0,0|2,0,0]=3 26 B12R2.2028 C=C1OC(=O)c2ccccc21 Amb22229358 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.2028 CC1NC(=O)c2ccc[n]c21 Amb23536271 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.2028 CC1NC(=O)c2ccccc21 Amb24104648 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.2028 CC1OC(=O)c2ccccc21 Amb24060113 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.2028 CC=1NC(=O)N2C=CC=CC21 Amb24436390 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.2028 CN1NC(=O)c2ccc[n]c12 Amb19314984 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.2028 CN1NC(=O)c2ccccc12 Amb22372319 [1,0,0,0,0,0|2,0,0]=3 33 B12R2.2028 CN1OC(=O)c2ccccc12 Amb24528970 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.2028 CN1SC(=O)c2ccccc12 Amb19664923 [1,0,0,0,0,0|3,0,0]=4 35 B12R2.2028 C[C@@H]1CC(=O)c2ccccc21 Amb24467053 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.2028 C[C@@H]1NC(=O)c2ccccc21 Amb22754730 [1,0,0,0,0,0|2,0,0]=3 37 B12R2.2028 C[C@H]1CC(=O)c2ccccc21 Amb25768595 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.2028 C[C@H]1OC(=O)c2ccccc21 Amb24060118 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.2028 C[n]1[nH]c(=O)c2c[n]ccc12 Amb24082889 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.2028 N=C1NC(=O)c2cc[n]cc21 Amb24374770 [1,0,0,0,0,0|3,0,0]=4 41 B12R2.2028 N=C1NC(=O)c2ccc[n]c21 Amb24418423 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.2028 N=C1NC(=O)c2ccccc21 Amb21811514 [1,0,0,0,0,0|2,0,0]=3 43 B12R2.2028 NC1CC(=O)c2ccccc21 Amb21955324 [1,0,0,0,0,0|3,0,0]=4 44 B12R2.2028 NC1NC(=N)c2ccccc21 Amb24351491 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.2028 NC1NC(=O)c2ccc[n]c21 Amb24091953 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.2028 NC1NC(=O)c2ccccc21 Amb22372261 [1,0,0,0,0,0|2,0,0]=3 47 B12R2.2028 O=C1CC(=O)c2c1cccc2 Amb1883008 [1,0,0,0,0,0|2,0,0]=3 48 B12R2.2028 O=C1CC(c2c1cccc2)Br Amb10068269 [1,0,0,0,0,0|3,0,0]=4 49 B12R2.2028 O=C1CC(c2c1cccc2)N Amb17470381 [1,0,0,0,0,0|3,0,0]=4 50 B12R2.2028 O=C1NC(=O)C=2NC=CCC12 Amb24432660 [1,0,0,0,0,0|2,0,1]=4 51 B12R2.2028 O=C1NC(=O)c2[n]cc[n]c12 Amb22499658 [1,0,0,0,0,0|3,0,0]=4 52 B12R2.2028 O=C1NC(=O)c2c1cccc2 Amb10604058 [1,0,0,0,0,0|1,0,0]=2 53 B12R2.2028 O=C1NC(=O)c2c1cccc2 Amb1934252 [1,0,0,0,0,0|1,0,0]=2 54 B12R2.2028 O=C1NC(=O)c2c1nccc2 Amb2384085 [1,0,0,0,0,0|2,0,0]=3 55 B12R2.2028 O=C1NC(=O)c2c[n][n]cc12 Amb25098099 [1,0,0,0,0,0|3,0,0]=4 56 B12R2.2028 O=C1NC(=O)c2c[n]c[n]c12 Amb24090208 [1,0,0,0,0,0|3,0,0]=4 57 B12R2.2028 O=C1NC(=O)c2ccccc12 Amb19944694 [1,0,0,0,0,0|1,0,0]=2 58 B12R2.2028 O=C1NC(=S)c2ccccc21 Amb25277268 [1,0,0,0,0,0|1,1,0]=3 59 B12R2.2028 O=C1NC(Br)c2ccccc21 Amb24728224 [1,0,0,0,0,0|2,0,0]=3 60 B12R2.2028 O=C1NC(Cl)c2ccccc21 Amb25700425 [1,0,0,0,0,0|2,0,0]=3 61 B12R2.2028 O=C1NC(I)c2ccccc21 Amb25149062 [1,0,0,0,0,0|2,0,0]=3 62 B12R2.2028 O=C1NC(c2c1cccc2)O Amb17593710 [1,0,0,0,0,0|1,0,1]=3 63 B12R2.2028 O=C1OC(=O)[13c]2[13cH][13cH][13cH][13cH][13c]21 Amb22339015 [1,0,0,0,0,0|2,0,0]=3 64 B12R2.2028 O=C1OC(=O)c2c1nccc2 Amb1106402 [1,0,0,0,0,0|3,0,0]=4 65 B12R2.2028 O=C1OC(=O)c2ccccc12 Amb17748796 [1,0,0,0,0,0|2,0,0]=3 66 B12R2.2028 O=C1OC(c2c1cccc2)O Amb10552913 [1,0,0,0,0,0|2,0,1]=4 67 B12R2.2028 O=C1OC(c2c1cccc2)O Amb16226896 [1,0,0,0,0,0|2,0,1]=4 68 B12R2.2028 O=C1SC(=O)c2ccc[n]c12 Amb24066980 [1,0,0,0,0,0|3,0,0]=4 69 B12R2.2028 O=C1[15N-]C(=O)c2ccccc12 Amb22732113 [1,0,0,0,0,0|1,0,1]=3 70 B12R2.2028 O=C1[15NH]C(=O)c2ccccc12 Amb22338958 [1,0,0,0,0,0|1,0,0]=2 71 B12R2.2028 O=C1[N-]C(=O)c2ccccc12 Amb22411655 [1,0,0,0,0,0|1,0,1]=3 72 B12R2.2028 O=C1[N-]C(=O)c2ccccc12 Amb22524346 [1,0,0,0,0,0|1,0,1]=3 73 B12R2.2028 O=[13C]1O[13C](=O)c2ccccc12 Amb22056066 [1,0,0,0,0,0|2,0,0]=3 74 B12R2.2028 OC1NC(=O)c2[n]cccc21 Amb24081300 [1,0,0,0,0,0|2,0,1]=4 75 B12R2.2028 OC1NC(=O)c2ccc[n]c21 Amb22436854 [1,0,0,0,0,0|2,0,1]=4 76 B12R2.2028 OI1OC(=O)c2ccccc12 Amb19958248 [1,0,0,0,0,0|2,0,1]=4 77 B12R2.2028 ON1CC(=O)c2ccccc12 Amb24078911 [1,0,0,0,0,0|2,0,1]=4 78 B12R2.2028 O[C@@H]1CC(=O)c2ccccc21 Amb24724027 [1,0,0,0,0,0|2,0,1]=4 79 B12R2.2028 O[C@H]1CC(=O)c2ccccc21 Amb25188743 [1,0,0,0,0,0|2,0,1]=4 80 B12R2.2028 [O-][N+]1=CC(=O)c2ccccc12 Amb17843025 [1,0,0,0,0,0|2,0,1]=4 81 B12R2.2403 O=S1(=O)C=Cc2ccc[n]c12 Amb24635508 [1,0,0,0,0,0|2,0,0]=3 82 B12R2.2403 O=S1(=O)N=Nc2ccccc12 Amb25191174 [1,0,0,0,0,0|1,0,1]=3 83 B14R2.4643 CC1(C)NC(=O)c2cc(Br)ccc12 Amb23439235 [0,1,0,0,0,0|3,0,0]=4 84 B14R2.4643 CC1(C)NC(=O)c2cc(N)ccc12 Amb22372262 [0,1,0,0,0,0|3,0,0]=4 85 B14R2.4643 Cc1ccc2c(c1)C(=O)NS2(=O)=O Amb22464227 [0,1,0,0,0,0|0,0,0]=1 86 B14R2.4643 Nc1ccc2c(c1)C(=O)NS2(=O)=O Amb10177538 [0,1,0,0,0,0|0,0,0]=1 87 B14R2.4643 O=C1NS(=O)(=O)c2ccc(Cl)[n]c12 Amb24427894 [0,1,0,0,0,0|1,0,0]=2 88 B14R2.4643 O=C1NS(=O)(=O)c2ccc(Cl)cc12 Amb22481809 [0,1,0,0,0,0|0,0,0]=1 89 B14R2.4643 O=C1OS(=O)(=O)c2ccc(F)cc12 Amb25785814 [0,1,0,0,0,0|1,0,0]=2 90 B14R2.4643 OC1CS(=O)(=O)c2ccc(Cl)cc21 Amb21927530 [0,1,0,0,0,0|1,0,2]=4 91 B14R2.8052 Cc1cccc2c1C(N)=NS2(=O)=O Amb25264326 [0,1,0,0,0,0|1,0,1]=3 92 B14R2.8052 NC1=NS(=O)(=O)c2cccc(F)c21 Amb25727752 [0,1,0,0,0,0|1,0,1]=3 93 B14R2.8052 Nc1cccc2c1C(=O)NS2(=O)=O Amb25337468 [0,1,0,0,0,0|0,0,0]=1 94 B14R2.8052 O=C1NS(=O)(=O)c2c1c(O)ccc2 Amb2411831 [0,1,0,0,0,0|0,0,0]=1 95 B14R2.8052 O=C1NS(=O)(=O)c2cccc(Cl)c12 Amb24517516 [0,1,0,0,0,0|0,0,0]=1 96 B14R2.8052 O=C1NS(=O)(=O)c2cccc(F)c12 Amb25335750 [0,1,0,0,0,0|0,0,0]=1 97 B14R2.8055 CC1=CS(=O)(=O)c2c(F)cccc21 Amb25678680 [0,1,0,0,0,0|2,0,0]=3 98 B14R2.8732 CC1(C)NC(=O)c2ccc(Br)cc12 Amb24496166 [0,1,0,0,0,0|3,0,0]=4 99 B14R2.8732 CC1(C)NC(=O)c2ccc(F)cc12 Amb25776663 [0,1,0,0,0,0|3,0,0]=4 100 B14R2.8732 CC1(C)NC(=O)c2ccc(O)cc12 Amb22495682 [0,1,0,0,0,0|3,0,0]=4 101 B14R2.8732 CC1=CS(=O)(=O)c2cc(N)ccc21 Amb18652201 [0,1,0,0,0,0|2,0,0]=3 102 B14R2.8732 Cc1cc2c(cc1)C(N)=CS2(=O)=O Amb20668129 [0,1,0,0,0,0|2,0,0]=3 103 B14R2.8732 Nc1ccc2c(c1)S(=O)(=O)NC2=O Amb10610361 [0,1,0,0,0,0|0,0,0]=1 104 B14R2.8732 O=C1CS(=O)(=O)c2cc(Br)ccc12 Amb23452939 [0,1,0,0,0,0|1,0,0]=2 105 B14R2.8732 O=C1NS(=O)(=O)c2cc(Br)ccc12 Amb22900015 [0,1,0,0,0,0|0,0,0]=1 106 B14R2.8732 O=C1NS(=O)(=O)c2cc(Cl)ccc12 Amb19887405 [0,1,0,0,0,0|0,0,0]=1 107 B14R2.8732 O=C1NS(=O)(=O)c2cc(I)ccc12 Amb24675985 [0,1,0,0,0,0|0,0,0]=1 108 B14R2.8732 OC1CS(=O)(=O)c2cc(Br)ccc21 Amb25331931 [0,1,0,0,0,0|1,0,2]=4 109 B14R2.45179 CNC1=CS(=O)(=O)c2ccccc12 Amb25301428 [0,1,0,0,0,0|2,0,0]=3 110 B14R2.45179 N#CC1=NS(=O)(=O)c2ccccc21 Amb25727096 [0,1,0,0,0,0|1,0,1]=3 111 B14R2.45179 N#CC1CS(=O)(=O)c2ccccc21 Amb18130016 [0,1,0,0,0,0|2,0,1]=4 112 B14R2.45179 NNC1NS(=O)(=O)c2ccccc21 Amb24644940 [0,1,0,0,0,0|1,0,1]=3 113 B14R2.45179 O=CC1=NS(=O)(=O)c2ccccc21 Amb18189585 [0,1,0,0,0,0|0,0,1]=2 114 B14R2.45179 O=CC1NS(=O)(=O)c2ccccc21 Amb18188521 [0,1,0,0,0,0|0,0,1]=2 115 B14R2.45179 O=C[C@@H]1NS(=O)(=O)c2ccccc21 Amb18188544 [0,1,0,0,0,0|0,0,1]=2 116 B14R2.45179 O=S1(=O)C=C(CCl)c2ccccc12 Amb25137081 [0,1,0,0,0,0|2,0,0]=3 117 B14R2.45179 OCC1CS(=O)(=O)c2ccccc21 Amb24409089 [0,1,0,0,0,0|1,0,2]=4 118 B14R2.45179 OC[C@@H]1NS(=O)(=O)c2ccccc21 Amb25345173 [0,1,0,0,0,0|0,0,2]=3 119 B14R2.45179 ONC1=NS(=O)(=O)c2ccccc21 Amb25674064 [0,1,0,0,0,0|0,0,2]=3 120 B14R2.55357 CC1(C)NS(=O)(=O)c2ccccc12 Amb22228281 [0,1,0,0,0,0|1,0,1]=3 121 B14R2.55357 O=S1(=O)NS(=O)(=O)c2ccccc12 Amb24324953 [0,1,0,0,0,0|1,0,0]=2 122 B14R2.57380 CC1C(N)c2ccccc2S1(=O)=O Amb18278096 [0,1,0,0,0,0|2,0,1]=4 123 B14R2.57380 CC=1c2ccccc2S(=O)(=O)C1C Amb22476919 [0,1,0,0,0,0|2,0,0]=3 124 B14R2.57380 CN1C(=O)c2ccc[n]c2S1(=O)=O Amb24509994 [0,1,0,0,0,0|1,0,0]=2 125 B14R2.57380 CN1C(O)c2ccccc2S1(=O)=O Amb22547686 [0,1,0,0,0,0|0,0,2]=3 126 B14R2.57380 O=C1c2ccccc2S(=O)(=O)N1[Na] Amb16227025 [0,1,0,0,0,0|0,0,0]=1 127 B14R2.57380 O=C1c2ccccc2S(=O)(=O)N1[Na] Amb22359107 [0,1,0,0,0,0|0,0,0]=1 128 B14R2.57380 O=C1c2ccccc2S(=O)(=O)N1[Na] Amb22515614 [0,1,0,0,0,0|0,0,0]=1 129 B12R1.39 BrCCS(=O)(=O)c1ccccc1 Amb17106167 [0,0,1,0,0,0|2,0,1]=4 130 B12R1.39 C#CNS(=O)(=O)c1ccccc1 Amb24633685 [0,0,1,0,0,0|1,0,1]=3 131 B12R1.39 CCCS(=O)(=O)c1ccccc1 Amb24485446 [0,0,1,0,0,0|2,0,1]=4 132 B12R1.39 COCS(=O)(=O)c1ccccc1 Amb24324970 [0,0,1,0,0,0|3,0,0]=4 133 B12R1.39 CONS(=O)(=O)c1ccccc1 Amb16969978 [0,0,1,0,0,0|2,0,0]=3 134 B12R1.39 C\C=C\S(=O)(=O)c1ccccc1 Amb24484200 [0,0,1,0,0,0|2,0,0]=3 135 B12R1.39 ClCCS(=O)(=O)c1ccccc1 Amb1034876 [0,0,1,0,0,0|2,0,1]=4 136 B12R1.39 N\C=C\S(=O)(=O)c1ccccc1 Amb25719150 [0,0,1,0,0,0|2,0,0]=3 137 B12R1.39 O=C=NS(=O)(=O)c1c[n]ccc1 Amb24380317 [0,0,1,0,0,0|1,0,2]=4 138 B12R1.39 O=CCS(=O)(=O)c1ccccc1 Amb19045395 [0,0,1,0,0,0|1,0,0]=2 139 B12R1.39 O=S(=O)(C=CI)c1ccccc1 Amb22471120 [0,0,1,0,0,0|2,0,0]=3 140 B12R1.39 O=S(=O)(CCF)c1ccccc1 Amb24734666 [0,0,1,0,0,0|2,0,1]=4 141 B12R1.39 O=S(=O)(N=C=S)c1ccccc1 Amb22274838 [0,0,1,0,0,0|0,1,2]=4 142 B12R1.39 O=S(=O)(\C=C\Cl)c1ccccc1 Amb25154120 [0,0,1,0,0,0|2,0,0]=3 143 B12R1.39 [C-]#[N+]CS(=O)(=O)c1ccccc1 Amb22231391 [0,0,1,0,0,0|3,0,0]=4 144 B12R1.39 [N-]=[N+]=CS(=O)(=O)c1ccccc1 Amb25069477 [0,0,1,0,0,0|3,0,0]=4 145 B12R1.76 C#Cc1ccccc1S(N)(=O)=O Amb23412169 [0,0,1,0,0,0|1,0,1]=3 146 B12R1.76 C=Cc1ccccc1S(N)(=O)=O Amb21952022 [0,0,1,0,0,0|1,0,0]=2 147 B12R1.76 C=Cc1ccccc1S(N)(=O)=O Amb24085076 [0,0,1,0,0,0|1,0,0]=2 148 B12R1.76 C=Cc1ccccc1S(O)(=O)=O Amb24439740 [0,0,1,0,0,0|2,0,0]=3 149 B12R1.76 CCc1ccccc1S(=O)(=O)Cl Amb1140574 [0,0,1,0,0,0|2,0,1]=4 150 B12R1.76 CCc1ccccc1S(=O)(=O)F Amb25791147 [0,0,1,0,0,0|2,0,1]=4 151 B12R1.76 CCc1ccccc1S(O)(=O)=O Amb25110649 [0,0,1,0,0,0|2,0,1]=4 152 B12R1.76 CNc1[n]cccc1S(N)(=O)=O Amb18284816 [0,0,1,0,0,0|3,0,0]=4 153 B12R1.76 CNc1cc[n]cc1S(N)(=O)=O Amb24062555 [0,0,1,0,0,0|3,0,0]=4 154 B12R1.76 CNc1ccc[n]c1S(N)(=O)=O Amb22498980 [0,0,1,0,0,0|3,0,0]=4 155 B12R1.76 COc1[n]cccc1S(N)(=O)=O Amb25681665 [0,0,1,0,0,0|3,0,0]=4 156 B12R1.76 COc1cc[n]cc1S(N)(=O)=O Amb24463929 [0,0,1,0,0,0|3,0,0]=4 157 B12R1.76 COc1ccccc1S(=O)(=O)Cl Amb1151563 [0,0,1,0,0,0|3,0,0]=4 158 B12R1.76 COc1ccccc1S(=O)(=O)F Amb18564678 [0,0,1,0,0,0|3,0,0]=4 159 B12R1.76 COc1ccccc1S(O)(=O)=O Amb18863292 [0,0,1,0,0,0|3,0,0]=4 160 B12R1.76 COc1ccccc1S([O-])(=O)=O Amb24757255 [0,0,1,0,0,0|3,0,0]=4 161 B12R1.76 CS(=O)(=O)c1[n]cccc1C=O Amb21929273 [0,0,1,0,0,0|2,0,0]=3 162 B12R1.76 CS(=O)(=O)c1ccccc1C#C Amb25349904 [0,0,1,0,0,0|2,0,1]=4 163 B12R1.76 CS(=O)(=O)c1ccccc1C#N Amb17739679 [0,0,1,0,0,0|2,0,1]=4 164 B12R1.76 CS(=O)(=O)c1ccccc1C=O Amb17739677 [0,0,1,0,0,0|1,0,0]=2 165 B12R1.76 CS(=O)(=O)c1ccccc1CBr Amb21856486 [0,0,1,0,0,0|2,0,1]=4 166 B12R1.76 CS(=O)(=O)c1ccccc1CN Amb17739678 [0,0,1,0,0,0|2,0,1]=4 167 B12R1.76 CS(=O)(=O)c1ccccc1CN Amb22336987 [0,0,1,0,0,0|2,0,1]=4 168 B12R1.76 CS(=O)(=O)c1ccccc1CO Amb22500415 [0,0,1,0,0,0|1,0,2]=4 169 B12R1.76 CSc1cc[n]cc1S(N)(=O)=O Amb24358905 [0,0,1,0,0,0|3,0,0]=4 170 B12R1.76 CSc1ccccc1S(=O)(=O)Cl Amb1132140 [0,0,1,0,0,0|3,0,0]=4 171 B12R1.76 CSc1ccccc1S(C)(=O)=O Amb25188344 [0,0,1,0,0,0|3,0,0]=4 172 B12R1.76 N#Cc1ccccc1S(=O)(=O)Cl Amb1152441 [0,0,1,0,0,0|2,0,1]=4 173 B12R1.76 N#Cc1ccccc1S(=O)(=O)F Amb24573021 [0,0,1,0,0,0|2,0,1]=4 174 B12R1.76 N#Cc1ccccc1S(=O)(=O)N Amb1077708 [0,0,1,0,0,0|1,0,1]=3 175 B12R1.76 N#Cc1ccccc1S(O)(=O)=O Amb25085239 [0,0,1,0,0,0|2,0,1]=4 176 B12R1.76 N#Cc1ccccc1S([O-])(=O)=O Amb25055606 [0,0,1,0,0,0|2,0,1]=4 177 B12R1.76 NCc1[n]cccc1S(N)(=O)=O Amb25295085 [0,0,1,0,0,0|2,0,1]=4 178 B12R1.76 NCc1ccccc1S(=O)(=O)N Amb1140994 [0,0,1,0,0,0|1,0,1]=3 179 B12R1.76 NNc1cc[n]cc1S(N)(=O)=O Amb18649841 [0,0,1,0,0,0|3,0,0]=4 180 B12R1.76 NNc1ccccc1S(=O)(=O)C Amb10071827 [0,0,1,0,0,0|3,0,0]=4 181 B12R1.76 NNc1ccccc1S(N)(=O)=O Amb22494881 [0,0,1,0,0,0|2,0,0]=3 182 B12R1.76 NS(=O)(=O)c1[n]cccc1C#N Amb19074278 [0,0,1,0,0,0|2,0,1]=4 183 B12R1.76 NS(=O)(=O)c1c[n]ccc1NO Amb24062553 [0,0,1,0,0,0|2,0,1]=4 184 B12R1.76 NS(=O)(=O)c1ccccc1CCl Amb24441597 [0,0,1,0,0,0|1,0,1]=3 185 B12R1.76 NS(=O)(=O)c1ccccc1CO Amb24101316 [0,0,1,0,0,0|0,0,2]=3 186 B12R1.76 NS(=O)(=O)c1ccccc1N=O Amb24084907 [0,0,1,0,0,0|1,0,0]=2 187 B12R1.76 O=Cc1ccccc1S(=O)(=O)Cl Amb13951921 [0,0,1,0,0,0|1,0,0]=2 188 B12R1.76 O=Cc1ccccc1S(=O)(=O)F Amb25790537 [0,0,1,0,0,0|1,0,0]=2 189 B12R1.76 O=Cc1ccccc1S(=O)(=O)O Amb2568294 [0,0,1,0,0,0|1,0,0]=2 190 B12R1.76 O=S(=O)(Cl)c1ccccc1CCl Amb24349801 [0,0,1,0,0,0|2,0,1]=4 191 B12R1.76 O=S(=O)(F)c1ccccc1CCl Amb25159471 [0,0,1,0,0,0|2,0,1]=4 192 B12R1.76 OCc1ccccc1S(O)(=O)=O Amb24457291 [0,0,1,0,0,0|1,0,2]=4 193 B12R1.107 C=C(NC(N)=O)c1ccccc1 Amb25258325 [0,0,1,0,0,0|3,0,0]=4 194 B12R1.107 CC(=C)NC(=O)c1ccccc1 Amb24096681 [0,0,1,0,0,0|3,0,0]=4 195 B12R1.107 CC(=O)NC(=O)c1c[n]ccc1 Amb25756189 [0,0,1,0,0,0|3,0,0]=4 196 B12R1.107 CC(=O)NC(=O)c1cccc[n]1 Amb25040960 [0,0,1,0,0,0|3,0,0]=4 197 B12R1.107 CC(=O)NC(=O)c1ccccc1 Amb24073560 [0,0,1,0,0,0|2,0,0]=3 198 B12R1.107 CC(=O)NC(=S)c1ccccc1 Amb24073591 [0,0,1,0,0,0|2,1,0]=4 199 B12R1.107 CC(=O)OC(=O)c1ccccc1 Amb17678790 [0,0,1,0,0,0|3,0,0]=4 200 B12R1.107 CC(=S)NC(=O)c1ccccc1 Amb24640397 [0,0,1,0,0,0|2,1,0]=4 201 B12R1.107 CN(NC(=O)c1ccccc1)C Amb10574824 [0,0,1,0,0,0|3,0,0]=4 202 B12R1.107 CS(=O)CC(=O)c1ccccc1 Amb24741512 [0,0,1,0,0,0|2,0,1]=4 203 B12R1.107 NC(=N)NC(=O)c1ccccc1 Amb22347479 [0,0,1,0,0,0|3,0,0]=4 204 B12R1.107 NC(=N)NC(=O)c1ccccc1 Amb25703047 [0,0,1,0,0,0|3,0,0]=4 205 B12R1.107 NC(=O)NC(=N)c1ccccc1 Amb25337571 [0,0,1,0,0,0|3,0,0]=4 206 B12R1.107 NC(=O)NC(=O)c1cc[n]cc1 Amb25189595 [0,0,1,0,0,0|3,0,0]=4 207 B12R1.107 NC(=O)NC(=S)c1ccccc1 Amb24532795 [0,0,1,0,0,0|2,1,0]=4 208 B12R1.107 O=C(CC(=O)[Na])c1ccccc1 Amb24364157 [0,0,1,0,0,0|3,0,0]=4 209 B12R1.107 O=C(NC(P)=S)c1ccccc1 Amb25743007 [0,0,1,0,0,0|2,1,0]=4 210 B12R1.107 O=C(c1ccccc1)CC(=O)O Amb10576353 [0,0,1,0,0,0|2,0,1]=4 211 B12R1.107 [O-]C(=O)CC(=O)c1ccccc1 Amb22491482 [0,0,1,0,0,0|2,0,1]=4 212 B12R1.107 [O-]C(=O)CC(=O)c1ccccc1 Amb23401058 [0,0,1,0,0,0|2,0,1]=4 213 B12R1.107 [O-][N+](=O)OC(=O)c1ccccc1 Amb17939330 [0,0,1,0,0,0|2,0,1]=4 214 B12R1.261 CC(=O)c1ccccc1C(=O)Cl Amb20673428 [0,0,1,0,0,0|3,0,0]=4 215 B12R1.261 CC(=O)c1ccccc1C(O)=O Amb22337995 [0,0,1,0,0,0|2,0,1]=4 216 B12R1.261 CC(C)c1ccccc1C(N)=O Amb24095782 [0,0,1,0,0,0|3,0,0]=4 217 B12R1.261 CN(C)c1ccccc1C(N)=O Amb21857810 [0,0,1,0,0,0|3,0,0]=4 218 B12R1.261 CS(=O)c1[n]cccc1C(N)=O Amb25858928 [0,0,1,0,0,0|2,0,1]=4 219 B12R1.261 CS(=O)c1ccccc1C(=O)Cl Amb24528503 [0,0,1,0,0,0|2,0,1]=4 220 B12R1.261 CS(=O)c1ccccc1C(=O)O Amb1216535 [0,0,1,0,0,0|2,0,1]=4 221 B12R1.261 C[C@@H](N)c1ccccc1C(N)=O Amb24589673 [0,0,1,0,0,0|3,0,0]=4 222 B12R1.261 ClC(=O)c1ccccc1C(=O)O Amb17477823 [0,0,1,0,0,0|2,0,1]=4 223 B12R1.261 NC(=N)c1ccccc1[N+]([O-])=O Amb18792616 [0,0,1,0,0,0|2,0,1]=4 224 B12R1.261 NC(=N)c1ccccc1[N+]([O-])=O Amb22551026 [0,0,1,0,0,0|2,0,1]=4 225 B12R1.261 NC(=O)c1[n]cccc1[N+]([O-])=O Amb22499564 [0,0,1,0,0,0|2,0,1]=4 226 B12R1.261 NC(=O)c1c[n]ccc1[N+]([O-])=O Amb24432166 [0,0,1,0,0,0|2,0,1]=4 227 B12R1.261 NC(=O)c1cc[n]cc1[N+]([O-])=O Amb20242693 [0,0,1,0,0,0|2,0,1]=4 228 B12R1.261 NC(=O)c1ccc[n]c1[N+]([O-])=O Amb23437213 [0,0,1,0,0,0|2,0,1]=4 229 B12R1.261 NC(=O)c1ccccc1B(O)O Amb2455624 [0,0,1,0,0,0|1,0,2]=4 230 B12R1.261 NC(=O)c1ccccc1C(=O)N Amb1929307 [0,0,1,0,0,0|2,0,0]=3 231 B12R1.261 NC(=O)c1ccccc1C([O-])=O Amb22339497 [0,0,1,0,0,0|1,0,1]=3 232 B12R1.261 NC(=O)c1cccnc1C(=O)O Amb10844834 [0,0,1,0,0,0|2,0,1]=4 233 B12R1.261 NC(=S)c1ccccc1C(=O)O Amb1113491 [0,0,1,0,0,0|1,1,1]=4 234 B12R1.261 O=C(F)c1ccccc1C(=O)F Amb24060503 [0,0,1,0,0,0|3,0,0]=4 235 B12R1.261 OC(=O)c1[n]cccc1N(=O)=O Amb20621913 [0,0,1,0,0,0|3,0,0]=4 236 B12R1.261 OC(=O)c1cc[n]cc1N(=O)=O Amb20621861 [0,0,1,0,0,0|3,0,0]=4 237 B12R1.261 OC(=O)c1ccccc1C(=O)O Amb2556636 [0,0,1,0,0,0|2,0,1]=4 238 B12R1.261 OC(=O)c1ccccc1C(=O)[O-] Amb10844826 [0,0,1,0,0,0|2,0,1]=4 239 B12R1.261 OC(=O)c1ccccc1C(O)=O Amb22338462 [0,0,1,0,0,0|2,0,1]=4 240 B12R1.261 OC(=O)c1ccccc1S(=O)Cl Amb25835707 [0,0,1,0,0,0|2,0,1]=4 241 B12R1.261 O[13C](=O)c1ccccc1[13C](O)=O Amb22056065 [0,0,1,0,0,0|2,0,1]=4 242 B12R1.261 [O-]C(=O)c1ccccc1C(O)=O Amb22045764 [0,0,1,0,0,0|2,0,1]=4 243 B12R1.261 [O-]C(=O)c1ccccc1C(O)=O Amb22732934 [0,0,1,0,0,0|2,0,1]=4 244 B12R1.261 [O-]C(=O)c1ccccc1C(O)=O Amb23496190 [0,0,1,0,0,0|2,0,1]=4 245 B12R1.261 [O-]C(=O)c1ccccc1C([O-])=O Amb22263079 [0,0,1,0,0,0|2,0,1]=4 246 B12R1.261 [O-]C(=O)c1ccccc1C([O-])=O Amb22491164 [0,0,1,0,0,0|2,0,1]=4 247 B12R1.261 [O-]C(=O)c1ccccc1C([O-])=O Amb24323292 [0,0,1,0,0,0|2,0,1]=4 248 B12R1.261 [O-]C(=O)c1ccccc1[N+]([O-])=O Amb24309021 [0,0,1,0,0,0|2,0,1]=4 249 B14R3.12265 O=C1NC2(CC2)c3ccccc31 Amb22231458 [0,0,0,1,0,0|3,0,0]=4 250 B12R2.3901 NC1=NS(=O)(=O)c2c[s]cc21 Amb18129764 [0,0,0,0,1,0|2,0,1]=4 251 B12R2.3901 O=C1NS(=O)(=O)c2[nH][n]cc12 Amb24727792 [0,0,0,0,1,0|2,0,0]=3 252 B12R2.3901 O=C1NS(=O)(=O)c2c[nH][n]c12 Amb25751086 [0,0,0,0,1,0|2,0,0]=3 253 B12R2.3901 O=C1OS(=O)(=O)c2c[s]cc12 Amb24538214 [0,0,0,0,1,0|2,0,0]=3 254 B12R2.3901 O=C1[N-]S(=O)(=O)c2cc[s]c12 Amb22261435 [0,0,0,0,1,0|1,0,1]=3 255 B14R2.8189 CC1(C)NC(=O)Cc2ccccc12 Amb23454630 [0,0,0,0,0,1|3,0,0]=4 256 B14R2.8189 CC1=CS(=O)(=O)c2ccccc2N1 Amb24444397 [0,0,0,0,0,1|2,0,0]=3 257 B14R2.8189 CC1=CS(=O)(=O)c2ccccc2O1 Amb19942541 [0,0,0,0,0,1|2,0,0]=3 258 B14R2.8189 CC1=Cc2ccccc2S(O)(=O)=N1 Amb23590823 [0,0,0,0,0,1|1,0,2]=4 259 B14R2.8189 CC1=Nc2ncccc2S(=O)(=O)N1 Amb13951185 [0,0,0,0,0,1|2,0,0]=3 260 B14R2.8189 CC1Nc2[n]cccc2S(=O)(=O)N1 Amb24488803 [0,0,0,0,0,1|2,0,1]=4 261 B14R2.8189 CC1Nc2ccccc2S(=O)(=O)N1 Amb24441691 [0,0,0,0,0,1|1,0,1]=3 262 B14R2.8189 CC=1NS(=O)(=O)c2[n]cccc2N1 Amb24664406 [0,0,0,0,0,1|2,0,0]=3 263 B14R2.8189 CC=1NS(=O)(=O)c2ccccc2N1 Amb22478645 [0,0,0,0,0,1|1,0,0]=2 264 B14R2.8189 CS1(=O)=NC(=O)Nc2ccccc12 Amb25737887 [0,0,0,0,0,1|1,0,1]=3 265 B14R2.8189 CS=1(=O)N=C(N)N=C2C=CC=CC12 Amb18652203 [0,0,0,0,0,1|2,0,1]=4 266 B14R2.8189 ClC1=NS(=O)(=O)c2c(N1)cccc2 Amb17242435 [0,0,0,0,0,1|1,0,1]=3 267 B14R2.8189 ClC1=Nc2ccncc2S(=O)(=O)N1 Amb17097733 [0,0,0,0,0,1|2,0,0]=3 268 B14R2.8189 NC1=CS(=O)(=O)c2ccccc2N1 Amb24692622 [0,0,0,0,0,1|2,0,0]=3 269 B14R2.8189 NC=1NS(=O)(=O)c2ccccc2N1 Amb18130381 [0,0,0,0,0,1|1,0,0]=2 270 B14R2.8189 NC=1Nc2[n]cccc2S(=O)(=O)N1 Amb18130469 [0,0,0,0,0,1|2,0,1]=4 271 B14R2.8189 NC=1Nc2ccc[n]c2S(=O)(=O)N1 Amb25794436 [0,0,0,0,0,1|2,0,1]=4 272 B14R2.8189 O=C1CS(=O)(=O)c2[n]cccc2N1 Amb24420876 [0,0,0,0,0,1|2,0,0]=3 273 B14R2.8189 O=C1CS(=O)(=O)c2c[n]ccc2N1 Amb24623344 [0,0,0,0,0,1|2,0,0]=3 274 B14R2.8189 O=C1CS(=O)(=O)c2cc[n]cc2N1 Amb25284838 [0,0,0,0,0,1|2,0,0]=3 275 B14R2.8189 O=C1Cc2ccccc2S(=O)(=O)N1 Amb25198536 [0,0,0,0,0,1|0,0,0]=1 276 B14R2.8189 O=C1Nc2cc[n]cc2S(=O)(=O)N1 Amb25743403 [0,0,0,0,0,1|1,0,0]=2 277 B14R2.8189 O=C1Nc2ccccc2C(N1)(C)C Amb16191976 [0,0,0,0,0,1|3,0,0]=4 278 B14R2.8189 O=C1Nc2ccccc2S(=O)(=O)C1 Amb2415972 [0,0,0,0,0,1|1,0,0]=2 279 B14R2.8189 O=C1Nc2ccccc2S(=O)(=O)N1 Amb16580535 [0,0,0,0,0,1|0,0,0]=1 280 B14R2.8189 O=C1[CH-]S(=O)(=O)c2cccc[n+]2O1 Amb22461031 [0,0,0,0,0,1|2,0,0]=3 281 B14R2.8189 O=S1(=O)CC(=S)Nc2ccccc12 Amb24729630 [0,0,0,0,0,1|1,1,0]=3 282 B14R2.8189 OC=1NS(=O)(=O)c2ccccc2N1 Amb21998625 [0,0,0,0,0,1|0,0,1]=2 283 B14R2.8189 S=C1Nc2ccccc2S(=O)(=O)N1 Amb17546268 [0,0,0,0,0,1|0,1,0]=2 284 B14R2.29285 CN1CNS(=O)(=O)c2[n]cccc12 Amb24398214 [0,0,0,0,0,1|3,0,0]=4 285 B14R2.29285 CN1CNS(=O)(=O)c2c[n]ccc12 Amb24356147 [0,0,0,0,0,1|3,0,0]=4 286 B14R2.29285 CN1CNS(=O)(=O)c2ccc[n]c12 Amb25350900 [0,0,0,0,0,1|3,0,0]=4 287 B14R2.29285 C[Si]1(C)CNC(=O)c2ccccc12 Amb25670257 [0,0,0,0,0,1|3,0,0]=4 288 B14R2.29285 NC1CCS(=O)(=O)c2c1cccc2 Amb2371502 [0,0,0,0,0,1|2,0,1]=4 289 B14R2.29285 N[C@@H]1CCS(=O)(=O)c2c1cccc2 Amb13952935 [0,0,0,0,0,1|2,0,1]=4 290 B14R2.29285 N[C@H]1CCS(=O)(=O)c2c1cccc2 Amb13952937 [0,0,0,0,0,1|2,0,1]=4 291 B14R2.29285 O=C1CCS(=O)(=O)c2c1cccc2 Amb1151857 [0,0,0,0,0,1|1,0,0]=2 292 B14R2.29285 O=C1CNS(=O)(=O)c2c1cccc2 Amb17605764 [0,0,0,0,0,1|0,0,0]=1 293 B14R2.29285 O=C1NCC(c2c1cccc2)(C)C Amb17400492 [0,0,0,0,0,1|3,0,0]=4 294 B14R2.29285 O=C1NCS(=O)(=O)c2ccccc12 Amb23452938 [0,0,0,0,0,1|0,0,0]=1 295 B14R2.29285 O=S1(=O)CCC(Cl)c2ccccc12 Amb25701431 [0,0,0,0,0,1|2,0,1]=4 296 B14R2.29285 O=S1(=O)CCC(S)c2ccccc12 Amb24415850 [0,0,0,0,0,1|1,1,1]=4 297 B14R2.29285 OC1CNS(=O)(=O)c2ccccc21 Amb24569921 [0,0,0,0,0,1|0,0,2]=3 298 B14R2.29285 O[C@@H]1CCS(=O)(=O)c2c1cccc2 Amb13952934 [0,0,0,0,0,1|1,0,2]=4 299 B14R2.29285 O[C@H]1CCS(=O)(=O)c2c1cccc2 Amb13952933 [0,0,0,0,0,1|1,0,2]=4 300 B14R2.29496 CC1(C)NC(=O)c2ccccc2S1 Amb24490129 [0,0,0,0,0,1|3,0,0]=4 301 B14R2.29496 CC1(O)Nc2ccccc2C(=O)N1 Amb25324535 [0,0,0,0,0,1|2,0,1]=4 302 B14R2.29496 N=C1NS(=O)(=O)Cc2c1cccc2 Amb13951810 [0,0,0,0,0,1|1,0,0]=2 303 B14R2.29496 NC1=CS(=O)(=O)Cc2ccccc21 Amb25757975 [0,0,0,0,0,1|2,0,0]=3 304 B14R2.29496 NC1=NS(=O)(=O)N=C2NC=CC=C21 Amb18130468 [0,0,0,0,0,1|2,0,1]=4 305 B14R2.29496 NC1=NS(=O)(=O)Nc2ccccc21 Amb18130380 [0,0,0,0,0,1|1,0,1]=3 306 B14R2.29496 NC1CS(=O)(=O)Cc2c1cccc2 Amb10067685 [0,0,0,0,0,1|2,0,1]=4 307 B14R2.29496 NC1CS(=O)(=O)Cc2ccccc21 Amb19894998 [0,0,0,0,0,1|2,0,1]=4 308 B14R2.29496 O=C1CS(=O)(=O)Cc2ccccc12 Amb23443836 [0,0,0,0,0,1|1,0,0]=2 309 B14R2.29496 O=C1CS(=O)(=O)Nc2ccccc12 Amb23504153 [0,0,0,0,0,1|1,0,0]=2 310 B14R2.29496 O=C1CS(=O)(=O)Oc2c1cccc2 Amb10071992 [0,0,0,0,0,1|1,0,0]=2 311 B14R2.29496 O=C1NC(C)(C)Nc2c1cccc2 Amb2446278 [0,0,0,0,0,1|3,0,0]=4 312 B14R2.29496 O=C1NS(=O)(=O)Cc2c1cccc2 Amb13951532 [0,0,0,0,0,1|0,0,0]=1 313 B14R2.29496 O=C1NS(=O)(=O)N=C2NC=CN=C12 Amb24490258 [0,0,0,0,0,1|2,0,0]=3 314 B14R2.29496 O=C1NS(=O)(=O)Nc2ccccc12 Amb24563494 [0,0,0,0,0,1|0,0,0]=1 315 B14R2.29496 O=C1OP(=O)(Cl)Oc2c1cccc2 Amb17608407 [0,0,0,0,0,1|3,0,0]=4 316 B14R2.29496 O=C1[CH-]S(=O)(=O)Cc2ccccc12 Amb22479151 [0,0,0,0,0,1|1,0,0]=2 317 B14R2.29496 O=S1(=O)Cc2ccccc2C(Cl)=N1 Amb25245860 [0,0,0,0,0,1|1,0,1]=3 318 B14R2.29496 OC1CS(=O)(=O)Cc2ccccc21 Amb25097800 [0,0,0,0,0,1|1,0,2]=4 319 B14R2.29496 O[C@@H]1CS(=O)(=O)Cc2ccccc21 Amb24495725 [0,0,0,0,0,1|1,0,2]=4 320 B11R1.7 CNS(=O)(=O)c1ccccc1 Amb1152097 [1,0,1,0,0,0|0,0,1]=3 321 B11R1.7 ClCS(=O)(=O)c1ccccc1 Amb1158067 [1,0,1,0,0,0|1,0,1]=4 322 B11R1.7 Cl[N-]S(=O)(=O)c1ccccc1 Amb13777313 [1,0,1,0,0,0|1,0,1]=4 323 B11R1.7 N#CS(=O)(=O)c1ccccc1 Amb22336767 [1,0,1,0,0,0|1,0,1]=4 324 B11R1.7 NNS(=O)(=O)c1cc[n]cc1 Amb25135173 [1,0,1,0,0,0|2,0,0]=4 325 B11R1.7 O=S(=O)(CBr)c1ccccc1 Amb22353468 [1,0,1,0,0,0|1,0,1]=4 326 B11R1.7 O=S(=O)(NF)c1ccccc1 Amb22729706 [1,0,1,0,0,0|1,0,0]=3 327 B11R1.7 O=S(=O)([N-]Cl)c1ccccc1 Amb19748290 [1,0,1,0,0,0|1,0,1]=4 328 B11R1.7 OCS(=O)(=O)c1ccccc1 Amb25802022 [1,0,1,0,0,0|0,0,2]=4 329 B11R1.7 ONS(=O)(=O)c1cccc[n]1 Amb25214604 [1,0,1,0,0,0|1,0,1]=4 330 B11R1.7 ONS(=O)(=O)c1ccccc1 Amb1154834 [1,0,1,0,0,0|0,0,1]=3 331 B11R1.16 C=CNC(=O)c1ccccc1 Amb24096819 [1,0,1,0,0,0|2,0,0]=4 332 B11R1.16 CN(NC=O)c1ccccc1 Amb17778798 [1,0,1,0,0,0|2,0,0]=4 333 B11R1.16 CNNC(=O)c1ccccc1 Amb24096729 [1,0,1,0,0,0|2,0,0]=4 334 B11R1.16 CONC(=O)c1ccccc1 Amb16969913 [1,0,1,0,0,0|1,1,0]=4 335 B11R1.16 C[C@H](NC=O)c1ccccc1 Amb24696096 [1,0,1,0,0,0|2,0,0]=4 336 B11R1.16 NCNC(=O)c1ccccc1 Amb24072660 [1,0,1,0,0,0|2,0,0]=4 337 B11R1.16 O=C(C=C=O)c1ccccc1 Amb24737519 [1,0,1,0,0,0|2,0,0]=4 338 B11R1.16 O=C(C=S=O)c1ccccc1 Amb25713057 [1,0,1,0,0,0|1,0,1]=4 339 B11R1.16 O=C(CN=O)c1ccccc1 Amb25821412 [1,0,1,0,0,0|2,0,0]=4 340 B11R1.16 O=C(NC=O)c1c[n]ccc1 Amb24062384 [1,0,1,0,0,0|2,0,0]=4 341 B11R1.16 O=C(NC=O)c1ccccc1 Amb24096618 [1,0,1,0,0,0|1,0,0]=3 342 B11R1.16 O=C(NCBr)c1ccccc1 Amb25772077 [1,0,1,0,0,0|2,0,0]=4 343 B11R1.16 O=C([CH-]C=O)c1ccccc1 Amb22330589 [1,0,1,0,0,0|2,0,0]=4 344 B11R1.16 O=C([CH-]C=O)c1ccccc1 Amb24121236 [1,0,1,0,0,0|2,0,0]=4 345 B11R1.16 O=CCS(=O)c1ccccc1 Amb25674931 [1,0,1,0,0,0|1,0,1]=4 346 B11R1.16 OCNC(=O)c1ccccc1 Amb1200467 [1,0,1,0,0,0|1,0,1]=4 347 B11R1.53 C#Cc1ccccc1C(N)=O Amb23411992 [1,0,1,0,0,0|2,0,0]=4 348 B11R1.53 C=Cc1ccccc1C(N)=O Amb24085075 [1,0,1,0,0,0|2,0,0]=4 349 B11R1.53 C=Nc1ccccc1C(N)=O Amb24101343 [1,0,1,0,0,0|2,0,0]=4 350 B11R1.53 CC(=O)c1ccccc1C=O Amb18124879 [1,0,1,0,0,0|2,0,0]=4 351 B11R1.53 CC(=O)c1ccccc1N=O Amb25695758 [1,0,1,0,0,0|2,0,0]=4 352 B11R1.53 CCc1ccccc1C(N)=O Amb24084095 [1,0,1,0,0,0|2,0,0]=4 353 B11R1.53 CNc1ccccc1C(=O)N Amb1209391 [1,0,1,0,0,0|2,0,0]=4 354 B11R1.53 CS(=O)c1ccccc1C=O Amb18126524 [1,0,1,0,0,0|1,0,1]=4 355 B11R1.53 NC(=O)c1[n]cccc1C=O Amb24102187 [1,0,1,0,0,0|2,0,0]=4 356 B11R1.53 NC(=O)c1cc[n]cc1C=O Amb24102191 [1,0,1,0,0,0|2,0,0]=4 357 B11R1.53 NC(=O)c1ccccc1CBr Amb21857553 [1,0,1,0,0,0|2,0,0]=4 358 B11R1.53 NC(=O)c1ccccc1CCl Amb24381160 [1,0,1,0,0,0|2,0,0]=4 359 B11R1.53 NC(=O)c1ccccc1CI Amb24581925 [1,0,1,0,0,0|2,0,0]=4 360 B11R1.53 NC(=O)c1ccccc1CN Amb21959763 [1,0,1,0,0,0|2,0,0]=4 361 B11R1.53 NC(=O)c1ccccc1N=O Amb24092548 [1,0,1,0,0,0|1,0,0]=3 362 B11R1.53 NC(=O)c1ccccc1NN Amb18179392 [1,0,1,0,0,0|2,0,0]=4 363 B11R1.53 NC(=O)c1ccccc1NO Amb25124108 [1,0,1,0,0,0|1,0,1]=4 364 B11R1.53 NNc1ccccc1N(=O)=O Amb20621887 [1,0,1,0,0,0|2,0,0]=4 365 B11R1.53 O=C(Cl)c1ccccc1C=O Amb24084248 [1,0,1,0,0,0|2,0,0]=4 366 B11R1.53 O=C(Cl)c1ccccc1N=O Amb24084908 [1,0,1,0,0,0|2,0,0]=4 367 B11R1.53 O=Cc1cc[n]cc1N(=O)=O Amb22284347 [1,0,1,0,0,0|2,0,0]=4 368 B11R1.53 O=Cc1ccccc1C(=O)O Amb2568292 [1,0,1,0,0,0|1,0,1]=4 369 B11R1.53 O=Cc1ccccc1N(=O)=O Amb20621765 [1,0,1,0,0,0|1,0,0]=3 370 B11R1.53 O=Nc1ccccc1C(=O)O Amb17593754 [1,0,1,0,0,0|2,0,0]=4 371 B11R1.87 Brc1ccccc1S(=O)(=O)C Amb10071573 [1,0,1,0,0,0|2,0,0]=4 372 B11R1.87 Brc1ccccc1S(=O)(=O)Cl Amb1152548 [1,0,1,0,0,0|2,0,0]=4 373 B11R1.87 Brc1ccccc1S(=O)(=O)N Amb1138857 [1,0,1,0,0,0|1,0,0]=3 374 B11R1.87 Cc1ccc[n]c1S(N)(=O)=O Amb18180348 [1,0,1,0,0,0|1,0,1]=4 375 B11R1.87 Cc1ccccc1S(=O)(=O)F Amb24419009 [1,0,1,0,0,0|1,0,1]=4 376 B11R1.87 Cc1ccccc1S(O)(=O)=O Amb20618615 [1,0,1,0,0,0|1,0,1]=4 377 B11R1.87 Clc1ccccc1S(=O)(=O)Cl Amb1152066 [1,0,1,0,0,0|2,0,0]=4 378 B11R1.87 Clc1ccccc1S(=O)(=O)N Amb1126709 [1,0,1,0,0,0|1,0,0]=3 379 B11R1.87 Clc1ncccc1S(=O)(=O)N Amb1129622 [1,0,1,0,0,0|2,0,0]=4 380 B11R1.87 Fc1ccccc1S(=O)(=O)C Amb1156220 [1,0,1,0,0,0|2,0,0]=4 381 B11R1.87 Fc1ccccc1S(=O)(=O)Cl Amb1152752 [1,0,1,0,0,0|2,0,0]=4 382 B11R1.87 Fc1ccccc1S(=O)(=O)N Amb1125877 [1,0,1,0,0,0|1,0,0]=3 383 B11R1.87 Ic1ccccc1S(=O)(=O)O Amb10842144 [1,0,1,0,0,0|2,0,0]=4 384 B11R1.87 NS(=O)(=O)C1=CC=CNC1=O Amb23510210 [1,0,1,0,0,0|1,0,0]=3 385 B11R1.87 NS(=O)(=O)c1[n]cccc1Cl Amb18330301 [1,0,1,0,0,0|2,0,0]=4 386 B11R1.87 NS(=O)(=O)c1[n]cccc1F Amb18804530 [1,0,1,0,0,0|2,0,0]=4 387 B11R1.87 NS(=O)(=O)c1[n]cccc1O Amb24691588 [1,0,1,0,0,0|1,0,1]=4 388 B11R1.87 NS(=O)(=O)c1c[n]ccc1Cl Amb22000875 [1,0,1,0,0,0|2,0,0]=4 389 B11R1.87 NS(=O)(=O)c1c[n]ccc1F Amb24062557 [1,0,1,0,0,0|2,0,0]=4 390 B11R1.87 NS(=O)(=O)c1cc[n]cc1O Amb25684176 [1,0,1,0,0,0|1,0,1]=4 391 B11R1.87 NS(=O)(=O)c1ccccc1O Amb18647721 [1,0,1,0,0,0|0,0,1]=3 392 B11R1.87 NS(=O)(=O)c1ccccc1S Amb24085064 [1,0,1,0,0,0|0,1,0]=3 393 B11R1.87 Nc1[n]cccc1S(N)(=O)=O Amb18946750 [1,0,1,0,0,0|2,0,0]=4 394 B11R1.87 Nc1c[n]ccc1S(N)(=O)=O Amb22490641 [1,0,1,0,0,0|2,0,0]=4 395 B11R1.87 Nc1ccc[n]c1S(N)(=O)=O Amb25689766 [1,0,1,0,0,0|2,0,0]=4 396 B11R1.87 Nc1ccccc1S(=O)(=O)Cl Amb20618602 [1,0,1,0,0,0|2,0,0]=4 397 B11R1.87 Nc1ccccc1S(=O)(=O)Cl Amb22228575 [1,0,1,0,0,0|2,0,0]=4 398 B11R1.87 Nc1ccccc1S(=O)(=O)[O-] Amb16231185 [1,0,1,0,0,0|2,0,0]=4 399 B11R1.87 Nc1ccccc1S(N)(=O)=O Amb24084970 [1,0,1,0,0,0|1,0,0]=3 400 B11R1.87 Nc1ccccc1S(O)(=O)=O Amb22730512 [1,0,1,0,0,0|2,0,0]=4 401 B11R1.87 Nc1ccccc1S([O-])(=O)=O Amb22167942 [1,0,1,0,0,0|2,0,0]=4 402 B11R1.87 Nc1ccncc1S(=O)(=O)N Amb16233867 [1,0,1,0,0,0|2,0,0]=4 403 B11R1.87 O=S(=O)(Br)c1ccccc1Br Amb24682032 [1,0,1,0,0,0|2,0,0]=4 404 B11R1.87 O=S(=O)(F)c1ccccc1F Amb22523350 [1,0,1,0,0,0|2,0,0]=4 405 B11R1.87 OS(=O)(=O)c1ccccc1Br Amb20618613 [1,0,1,0,0,0|2,0,0]=4 406 B11R1.87 OS(=O)(=O)c1ccccc1Cl Amb20618607 [1,0,1,0,0,0|2,0,0]=4 407 B11R1.87 OS(=O)(=O)c1ccccc1F Amb20618605 [1,0,1,0,0,0|2,0,0]=4 408 B11R1.87 Oc1ccccc1S(=O)(=O)C Amb2427025 [1,0,1,0,0,0|1,0,1]=4 409 B11R1.87 Oc1ccccc1S(=O)(=O)O Amb17594378 [1,0,1,0,0,0|1,0,1]=4 410 B11R1.87 Oc1ccncc1S(=O)(=O)N Amb10068066 [1,0,1,0,0,0|1,0,1]=4 411 B11R1.87 [NH-]S(=O)(=O)c1ccccc1N Amb22478641 [1,0,1,0,0,0|1,0,1]=4 412 B11R1.87 [O-]S(=O)(=O)c1ccccc1I Amb24323642 [1,0,1,0,0,0|2,0,0]=4 413 B11R1.87 [O-]S(=O)(=O)c1ccccc1O Amb22231440 [1,0,1,0,0,0|1,0,1]=4 414 B11R1.87 [O-]S(=O)(=O)c1ccccc1O Amb22472057 [1,0,1,0,0,0|1,0,1]=4 415 B11R1.87 [O-]S(=O)(=O)c1ccccc1O Amb22733536 [1,0,1,0,0,0|1,0,1]=4 416 B11R2.1 Cc1[nH][n]c2ccccc21 Amb19316313 [2,0,0,0,0,0|2,0,0]=4 417 B11R2.1 Cc1[nH]nc2c1cccc2 Amb15691959 [2,0,0,0,0,0|2,0,0]=4 418 B11R2.1 Nc1[nH]cc2ccccc21 Amb24479060 [2,0,0,0,0,0|2,0,0]=4 419 B11R2.1 O=C1C=Cc2c1cccc2 Amb10603436 [2,0,0,0,0,0|2,0,0]=4 420 B11R2.1 O=C1CNc2c1cccc2 Amb17593399 [2,0,0,0,0,0|2,0,0]=4 421 B11R2.1 O=C1CNc2ccccc21 Amb22899450 [2,0,0,0,0,0|2,0,0]=4 422 B11R2.1 O=C1COc2c1cccc2 Amb2383539 [2,0,0,0,0,0|1,1,0]=4 423 B11R2.1 O=C1N=Cc2ccccc21 Amb25265062 [2,0,0,0,0,0|1,0,1]=4 424 B11R2.1 O=C1N=Nc2ccccc21 Amb21928183 [2,0,0,0,0,0|1,0,1]=4 425 B11R2.1 O=C1NC=C2C=CC=CC21 Amb25217951 [2,0,0,0,0,0|1,0,1]=4 426 B11R2.1 O=C1NCc2[n]cccc21 Amb21963093 [2,0,0,0,0,0|2,0,0]=4 427 B11R2.1 O=C1NCc2c[n]ccc21 Amb23455305 [2,0,0,0,0,0|2,0,0]=4 428 B11R2.1 O=C1NCc2cc[n]cc21 Amb22388464 [2,0,0,0,0,0|2,0,0]=4 429 B11R2.1 O=C1NCc2ccc[n]c21 Amb22276754 [2,0,0,0,0,0|2,0,0]=4 430 B11R2.1 O=C1NN=C2C=CC=CN21 Amb18012675 [2,0,0,0,0,0|2,0,0]=4 431 B11R2.1 O=C1NNc2[n]cccc21 Amb19267105 [2,0,0,0,0,0|2,0,0]=4 432 B11R2.1 O=C1NNc2c[n]ccc21 Amb21857177 [2,0,0,0,0,0|2,0,0]=4 433 B11R2.1 O=C1NNc2ccc[n]c21 Amb21857168 [2,0,0,0,0,0|2,0,0]=4 434 B11R2.1 O=C1NNc2ccccc21 Amb19514505 [2,0,0,0,0,0|1,0,0]=3 435 B11R2.1 O=C1NOc2c[n]ccc21 Amb22494128 [2,0,0,0,0,0|1,1,0]=4 436 B11R2.1 O=C1NOc2ccc[n]c21 Amb22494127 [2,0,0,0,0,0|1,1,0]=4 437 B11R2.1 O=C1NS[13c]2[13cH][13cH][13cH][13cH]c21 Amb19130670 [2,0,0,0,0,0|0,0,1]=3 438 B11R2.1 O=C1NSc2ccccc21 Amb17933279 [2,0,0,0,0,0|0,0,1]=3 439 B11R2.1 O=C1O[Hg]c2ccccc21 Amb22369198 [2,0,0,0,0,0|2,0,0]=4 440 B11R2.1 O=C1SCc2c1cccc2 Amb2421358 [2,0,0,0,0,0|2,0,0]=4 441 B11R2.1 O=C1SNc2ccccc21 Amb19416440 [2,0,0,0,0,0|2,0,0]=4 442 B11R2.1 O=C1SSc2ccccc21 Amb20660516 [2,0,0,0,0,0|1,0,1]=4 443 B11R2.1 O=[s]1ccc2ccccc12 Amb24078341 [2,0,0,0,0,0|1,0,1]=4 444 B11R2.1 O=c1[nH]nc2n1cccc2 Amb1649796 [2,0,0,0,0,0|2,0,0]=4 445 B11R2.1 O=c1s[nH]c2c1cccc2 Amb1071736 [2,0,0,0,0,0|2,0,0]=4 446 B11R2.1 S=C1NCc2ccccc21 Amb24662530 [2,0,0,0,0,0|1,1,0]=4 447 B11R2.1 S=c1[nH][nH]c2ccccc21 Amb24082861 [2,0,0,0,0,0|1,1,0]=4 448 B11R2.1 S=c1[nH]oc2ccccc21 Amb24060603 [2,0,0,0,0,0|0,2,0]=4 449 B13R1.29 C=CCS(=O)(=O)c1ccc(cc1)Br Amb1918695 [0,1,1,0,0,0|2,0,0]=4 450 B13R1.29 C=COS(=O)(=O)c1ccc(N)cc1 Amb25210808 [0,1,1,0,0,0|2,0,0]=4 451 B13R1.29 CCNS(=O)(=O)c1ccc(S)cc1 Amb24456814 [0,1,1,0,0,0|1,0,1]=4 452 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Br Amb1570719 [0,1,1,0,0,0|1,0,1]=4 453 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)N Amb1129488 [0,1,1,0,0,0|1,0,1]=4 454 B13R1.29 CONS(=O)(=O)c1ccc(N)cc1 Amb24713326 [0,1,1,0,0,0|2,0,0]=4 455 B13R1.29 CONS(=O)(=O)c1ccc(cc1)Br Amb16969982 [0,1,1,0,0,0|2,0,0]=4 456 B13R1.29 CONS(=O)(=O)c1ccc(cc1)C Amb16969979 [0,1,1,0,0,0|2,0,0]=4 457 B13R1.29 CONS(=O)(=O)c1ccc(cc1)Cl Amb16980477 [0,1,1,0,0,0|2,0,0]=4 458 B13R1.29 CONS(=O)(=O)c1ccc(cc1)F Amb16969980 [0,1,1,0,0,0|2,0,0]=4 459 B13R1.29 Cc1ccc(cc1)S(=O)(=O)CC=O Amb18130488 [0,1,1,0,0,0|1,0,0]=3 460 B13R1.29 Cc1ccc(cc1)S(=O)(=O)NC=O Amb22456131 [0,1,1,0,0,0|0,0,0]=2 461 B13R1.29 Cc1ccc(cc1)S(=O)(=O)NCC Amb22731034 [0,1,1,0,0,0|1,0,1]=4 462 B13R1.29 Cc1ccc(cc1)S(=O)(=O)NN=O Amb22552504 [0,1,1,0,0,0|1,0,0]=3 463 B13R1.29 Cc1ccc(cc1)S(=O)(=O)\C=C\Cl Amb25723052 [0,1,1,0,0,0|2,0,0]=4 464 B13R1.29 Cc1ccc(cc1)S(=O)(=O)\N=C\N Amb25101461 [0,1,1,0,0,0|1,0,1]=4 465 B13R1.29 Nc1ccc(cc1)S(=O)(=O)NC#N Amb25065375 [0,1,1,0,0,0|1,0,1]=4 466 B13R1.29 O=C=NS(=O)(=O)c1ccc(cc1)Br Amb17268906 [0,1,1,0,0,0|0,0,2]=4 467 B13R1.29 O=CCS(=O)(=O)c1ccc(Br)cc1 Amb25763267 [0,1,1,0,0,0|1,0,0]=3 468 B13R1.29 O=CNS(=O)(=O)c1ccc(Cl)cc1 Amb25036078 [0,1,1,0,0,0|0,0,0]=2 469 B13R1.29 O=S(=O)(N=C=O)c1ccc(I)cc1 Amb25698917 [0,1,1,0,0,0|0,0,2]=4 470 B13R1.30 CCNS(=O)(=O)c1cccc(I)c1 Amb24344601 [0,1,1,0,0,0|1,0,1]=4 471 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Br Amb1570721 [0,1,1,0,0,0|1,0,1]=4 472 B13R1.30 CCNS(=O)(=O)c1cccc(c1)N Amb1130466 [0,1,1,0,0,0|1,0,1]=4 473 B13R1.30 CONS(=O)(=O)c1cccc(Br)c1 Amb24731665 [0,1,1,0,0,0|2,0,0]=4 474 B13R1.30 CONS(=O)(=O)c1cccc(F)c1 Amb25786851 [0,1,1,0,0,0|2,0,0]=4 475 B13R1.30 CONS(=O)(=O)c1cccc(N)c1 Amb25698405 [0,1,1,0,0,0|2,0,0]=4 476 B13R1.30 CONS(=O)(=O)c1cccc(c1)C Amb16970008 [0,1,1,0,0,0|2,0,0]=4 477 B13R1.30 CONS(=O)(=O)c1cccc(c1)Cl Amb16970039 [0,1,1,0,0,0|2,0,0]=4 478 B13R1.30 Cc1cc(ccc1)S(=O)(=O)CC=O Amb25762334 [0,1,1,0,0,0|1,0,0]=3 479 B13R1.30 Nc1cc(ccc1)S(=O)(=O)\C=C\Cl Amb18658179 [0,1,1,0,0,0|2,0,0]=4 480 B13R1.30 O=C=NS(=O)(=O)c1cccc(c1)C Amb17236559 [0,1,1,0,0,0|0,0,2]=4 481 B13R1.30 O=C=NS(=O)(=O)c1cccc(c1)Cl Amb17242961 [0,1,1,0,0,0|0,0,2]=4 482 B13R1.30 O=CCS(=O)(=O)c1cccc(Br)c1 Amb24544479 [0,1,1,0,0,0|1,0,0]=3 483 B13R1.30 O=CCS(=O)(=O)c1cccc(Cl)c1 Amb25048666 [0,1,1,0,0,0|1,0,0]=3 484 B13R1.30 O=CCS(=O)(=O)c1cccc(F)c1 Amb25828311 [0,1,1,0,0,0|1,0,0]=3 485 B13R1.30 O=S(=O)(N=C=O)c1cccc(F)c1 Amb24349202 [0,1,1,0,0,0|0,0,2]=4 486 B13R1.122 BrC\C=C\S(=O)(=O)c1ccccc1 Amb10565280 [0,1,1,0,0,0|2,0,0]=4 487 B13R1.122 C#CCNS(=O)(=O)c1ccccc1 Amb10610176 [0,1,1,0,0,0|1,0,1]=4 488 B13R1.122 C=CCNS(=O)(=O)c1c[n]ccc1 Amb24062562 [0,1,1,0,0,0|2,0,0]=4 489 B13R1.122 C=CCNS(=O)(=O)c1ccccc1 Amb1152082 [0,1,1,0,0,0|1,0,0]=3 490 B13R1.122 CN\C=C\S(=O)(=O)c1ccccc1 Amb24710320 [0,1,1,0,0,0|2,0,0]=4 491 B13R1.122 O=C=NCS(=O)(=O)c1ccccc1 Amb18563428 [0,1,1,0,0,0|0,0,2]=4 492 B13R1.122 O=CCCS(=O)(=O)c1ccccc1 Amb17106127 [0,1,1,0,0,0|1,0,0]=3 493 B13R1.122 O=CCNS(=O)(=O)c1ccccc1 Amb17102119 [0,1,1,0,0,0|0,0,0]=2 494 B13R1.122 O=CNCS(=O)(=O)c1ccccc1 Amb22471751 [0,1,1,0,0,0|0,0,0]=2 495 B13R1.122 O=C\C=C\S(=O)(=O)c1ccccc1 Amb25195887 [0,1,1,0,0,0|1,0,0]=3 496 B13R1.122 O=S(=O)(C\C=C\Cl)c1ccccc1 Amb25323486 [0,1,1,0,0,0|2,0,0]=4 497 B13R1.347 C=C(Cl)CS(=O)(=O)c1ccccc1 Amb25728866 [0,1,1,0,0,0|2,0,0]=4 498 B13R1.347 CC(=C)CS(=O)(=O)c1ccccc1 Amb2148756 [0,1,1,0,0,0|2,0,0]=4 499 B13R1.347 CC(=O)CS(=O)(=O)c1ccccc1 Amb2222044 [0,1,1,0,0,0|1,0,0]=3 500 B13R1.347 CC(=O)NS(=O)(=O)c1[n]ccc[n]1 Amb25285380 [0,1,1,0,0,0|2,0,0]=4 501 B13R1.347 CC(=O)NS(=O)(=O)c1c[n]cc[n]1 Amb24530057 [0,1,1,0,0,0|2,0,0]=4 502 B13R1.347 CC(=O)NS(=O)(=O)c1ccc[n]c1 Amb24412729 [0,1,1,0,0,0|1,0,0]=3 503 B13R1.347 CC(=O)NS(=O)(=O)c1ccccc1 Amb1195882 [0,1,1,0,0,0|0,0,0]=2 504 B13R1.347 CN(C)NS(=O)(=O)c1ccccc1 Amb22450236 [0,1,1,0,0,0|2,0,0]=4 505 B13R1.347 C\C(=N\S(=O)(=O)c1ccccc1)\N Amb10553012 [0,1,1,0,0,0|1,0,1]=4 506 B13R1.347 C\C(\I)=C\S(=O)(=O)c1ccccc1 Amb25250464 [0,1,1,0,0,0|2,0,0]=4 507 B13R1.347 NC(=O)CS(=O)(=O)c1ccccc1 Amb1626007 [0,1,1,0,0,0|1,0,0]=3 508 B13R1.347 NC(=O)CS(=O)(=O)c1ccccn1 Amb11365812 [0,1,1,0,0,0|2,0,0]=4 509 B13R1.347 NC(=O)NS(=O)(=O)c1cccc[n]1 Amb25827586 [0,1,1,0,0,0|1,0,0]=3 510 B13R1.347 NC(=O)OS(=O)(=O)c1ccccc1 Amb24344027 [0,1,1,0,0,0|1,0,0]=3 511 B13R1.347 O=S(=O)(C=C(Cl)Cl)c1ccccc1 Amb25127925 [0,1,1,0,0,0|2,0,0]=4 512 B13R1.347 O=S(=O)(c1ccccc1)C[N+](=O)[O-] Amb2417745 [0,1,1,0,0,0|2,0,0]=4 513 B13R1.347 OC(=O)CS(=O)(=O)c1ccc[n]c1 Amb25180282 [0,1,1,0,0,0|2,0,0]=4 514 B13R1.347 OC(=O)CS(=O)(=O)c1ccccn1 Amb17205236 [0,1,1,0,0,0|2,0,0]=4 515 B13R1.347 [O-][N+](=O)[CH-]S(=O)(=O)c1ccccc1 Amb22450674 [0,1,1,0,0,0|2,0,0]=4 516 B13R1.708 CC(C=O)S(=O)(=O)c1ccccc1 Amb24529369 [0,1,1,0,0,0|1,0,0]=3 517 B13R1.708 CCN(C)S(=O)(=O)c1ccccc1 Amb24715287 [0,1,1,0,0,0|1,0,1]=4 518 B13R1.708 CON(C)S(=O)(=O)c1ccccc1 Amb25092217 [0,1,1,0,0,0|2,0,0]=4 519 B13R1.2819 C=CCS(=O)(=O)c1ccccc1N Amb10243527 [0,1,1,0,0,0|2,0,0]=4 520 B13R1.2819 CCNS(=O)(=O)c1ccccc1Br Amb142318 [0,1,1,0,0,0|1,0,1]=4 521 B13R1.2819 CCNS(=O)(=O)c1ccccc1C Amb17614193 [0,1,1,0,0,0|1,0,1]=4 522 B13R1.2819 CCNS(=O)(=O)c1ccccc1C Amb17942846 [0,1,1,0,0,0|1,0,1]=4 523 B13R1.2819 CCNS(=O)(=O)c1ccccc1N Amb1129880 [0,1,1,0,0,0|1,0,1]=4 524 B13R1.2819 CCNS(=O)(=O)c1ccccc1O Amb18566359 [0,1,1,0,0,0|1,0,1]=4 525 B13R1.2819 CONS(=O)(=O)c1ccccc1C Amb16980485 [0,1,1,0,0,0|2,0,0]=4 526 B13R1.2819 CONS(=O)(=O)c1ccccc1Cl Amb16980486 [0,1,1,0,0,0|2,0,0]=4 527 B13R1.2819 CONS(=O)(=O)c1ccccc1F Amb25698952 [0,1,1,0,0,0|2,0,0]=4 528 B13R1.2819 CONS(=O)(=O)c1ccccc1N Amb25192182 [0,1,1,0,0,0|2,0,0]=4 529 B13R1.2819 Cc1ccccc1S(=O)(=O)CC=O Amb24429270 [0,1,1,0,0,0|1,0,0]=3 530 B13R1.2819 O=CCS(=O)(=O)c1ccccc1Br Amb24671838 [0,1,1,0,0,0|1,0,0]=3 531 B13R1.2819 O=CCS(=O)(=O)c1ccccc1Cl Amb24464881 [0,1,1,0,0,0|1,0,0]=3 532 B13R1.2819 O=S(=O)(N=C=O)c1ccccc1F Amb24352585 [0,1,1,0,0,0|0,0,2]=4 533 B13R1.53 COc1cc(Br)ccc1S(N)(=O)=O Amb19888058 [0,1,1,0,0,0|2,0,0]=4 534 B13R1.53 CS(=O)(=O)c1ccc(Cl)cc1C=O Amb24685804 [0,1,1,0,0,0|1,0,0]=3 535 B13R1.53 Cc1ccc(c(C=C)c1)S(N)(=O)=O Amb24070512 [0,1,1,0,0,0|1,0,0]=3 536 B13R1.53 Cc1ccc(c(CC)c1)S(N)(=O)=O Amb24594951 [0,1,1,0,0,0|1,0,1]=4 537 B13R1.53 NS(=O)(=O)c1ccc(Cl)cc1C=O Amb25775797 [0,1,1,0,0,0|0,0,0]=2 538 B13R1.53 NS(=O)(=O)c1ccc(F)cc1C#N Amb24711192 [0,1,1,0,0,0|1,0,1]=4 539 B13R1.53 Oc1ccc(c(c1)C=O)S(O)(=O)=O Amb25807633 [0,1,1,0,0,0|1,0,0]=3 540 B13R1.108 CNc1c(O)cccc1S(N)(=O)=O Amb24578480 [0,1,1,0,0,0|2,0,0]=4 541 B13R1.108 COc1c(Br)cccc1S(N)(=O)=O Amb25770149 [0,1,1,0,0,0|2,0,0]=4 542 B13R1.108 COc1c(F)cccc1S(N)(=O)=O Amb22466417 [0,1,1,0,0,0|2,0,0]=4 543 B13R1.108 CS(=O)(=O)c1cccc(Cl)c1C=O Amb25816834 [0,1,1,0,0,0|1,0,0]=3 544 B13R1.108 CSc1c(O)cccc1S(N)(=O)=O Amb25798188 [0,1,1,0,0,0|2,0,0]=4 545 B13R1.108 NCc1c(F)cccc1S(N)(=O)=O Amb24351190 [0,1,1,0,0,0|1,0,1]=4 546 B13R1.108 NCc1c(O)cccc1S(N)(=O)=O Amb25155400 [0,1,1,0,0,0|1,0,1]=4 547 B13R1.108 NS(=O)(=O)c1cccc(Br)c1C#N Amb25732062 [0,1,1,0,0,0|1,0,1]=4 548 B13R1.108 NS(=O)(=O)c1cccc(Br)c1CBr Amb25095947 [0,1,1,0,0,0|1,0,1]=4 549 B13R1.108 NS(=O)(=O)c1cccc(Cl)c1C=O Amb25692866 [0,1,1,0,0,0|0,0,0]=2 550 B13R1.108 NS(=O)(=O)c1cccc(O)c1C#N Amb24416811 [0,1,1,0,0,0|1,0,1]=4 551 B13R1.349 CC(=C)c1ccccc1S(N)(=O)=O Amb24084455 [0,1,1,0,0,0|1,0,0]=3 552 B13R1.349 CC(=O)c1[n]cccc1S(C)(=O)=O Amb23412452 [0,1,1,0,0,0|2,0,0]=4 553 B13R1.349 CC(=O)c1ccc[n]c1S(C)(=O)=O Amb18187742 [0,1,1,0,0,0|2,0,0]=4 554 B13R1.349 CC(=O)c1ccccc1S(=O)(=O)Cl Amb1130970 [0,1,1,0,0,0|1,0,0]=3 555 B13R1.349 CC(=O)c1ccccc1S(N)(=O)=O Amb25782594 [0,1,1,0,0,0|0,0,0]=2 556 B13R1.349 CC(Cl)c1ccccc1S(N)(=O)=O Amb25756165 [0,1,1,0,0,0|1,0,1]=4 557 B13R1.349 CN(C)c1ccccc1S(N)(=O)=O Amb23567015 [0,1,1,0,0,0|2,0,0]=4 558 B13R1.349 CS(=O)(=O)c1[n]cccc1C(N)=O Amb25143630 [0,1,1,0,0,0|2,0,0]=4 559 B13R1.349 CS(=O)(=O)c1ccc[n]c1C(O)=O Amb18653467 [0,1,1,0,0,0|2,0,0]=4 560 B13R1.349 CS(=O)(=O)c1ccccc1C(N)=N Amb24065162 [0,1,1,0,0,0|2,0,0]=4 561 B13R1.349 CS(=O)c1ccccc1S(=O)(=O)Cl Amb24437182 [0,1,1,0,0,0|2,0,0]=4 562 B13R1.349 CS(=O)c1ccccc1S(C)(=O)=O Amb24677398 [0,1,1,0,0,0|2,0,0]=4 563 B13R1.349 ClC(=O)c1ccccc1S(=O)(=O)Cl Amb17596572 [0,1,1,0,0,0|1,0,0]=3 564 B13R1.349 NC(=O)c1ccc[n]c1S(N)(=O)=O Amb19091304 [0,1,1,0,0,0|1,0,0]=3 565 B13R1.349 NC(=O)c1ccccc1S(=O)(=O)Cl Amb1138438 [0,1,1,0,0,0|1,0,0]=3 566 B13R1.349 NC(=O)c1ccccc1S(O)(=O)=O Amb24490241 [0,1,1,0,0,0|1,0,0]=3 567 B13R1.349 NC(=S)c1[n]cccc1S(N)(=O)=O Amb24575139 [0,1,1,0,0,0|1,1,0]=4 568 B13R1.349 NC(=S)c1ccccc1S(O)(=O)=O Amb25238956 [0,1,1,0,0,0|1,1,0]=4 569 B13R1.349 NS(=O)(=O)c1[n]cccc1C(O)=O Amb25048704 [0,1,1,0,0,0|1,0,0]=3 570 B13R1.349 NS(=O)(=O)c1[n]cccc1[N+]([O-])=O Amb22297201 [0,1,1,0,0,0|2,0,0]=4 571 B13R1.349 NS(=O)(=O)c1ccccc1B(O)O Amb22168993 [0,1,1,0,0,0|1,0,1]=4 572 B13R1.349 O=N(=O)c1ccccc1S(=O)(=O)Cl Amb20621770 [0,1,1,0,0,0|2,0,0]=4 573 B13R1.349 OC(=O)c1c[n]ccc1S(O)(=O)=O Amb22489763 [0,1,1,0,0,0|2,0,0]=4 574 B13R1.349 OC(=O)c1ccc[n]c1S(=O)(=O)Cl Amb24511648 [0,1,1,0,0,0|2,0,0]=4 575 B13R1.349 OC(=O)c1ccccc1S(=O)(=O)C Amb1212344 [0,1,1,0,0,0|1,0,0]=3 576 B13R1.349 OC(=O)c1ccccc1S(=O)(=O)Cl Amb16232987 [0,1,1,0,0,0|1,0,0]=3 577 B13R1.349 OC(=O)c1ccccc1S(=O)(=O)O Amb10807552 [0,1,1,0,0,0|1,0,0]=3 578 B13R1.349 OC(=O)c1ccccc1S(=O)(=O)O Amb1196439 [0,1,1,0,0,0|1,0,0]=3 579 B13R1.349 OC(=O)c1ccccc1S(O)(=O)=O Amb19883771 [0,1,1,0,0,0|1,0,0]=3 580 B13R1.349 OC(=O)c1ccncc1S(=O)(=O)O Amb10602350 [0,1,1,0,0,0|2,0,0]=4 581 B13R1.349 OS(=O)c1ccccc1S(=O)(=O)Cl Amb24568270 [0,1,1,0,0,0|2,0,0]=4 582 B13R1.349 [NH-]S(=O)(=O)c1ccccc1[N+]([O-])=O Amb17779461 [0,1,1,0,0,0|1,0,1]=4 583 B13R1.349 [O-]C(=O)c1ccccc1S(O)(=O)=O Amb22734266 [0,1,1,0,0,0|1,0,0]=3 584 B13R1.349 [O-]S(=O)(=O)c1ccccc1C(O)=O Amb22484242 [0,1,1,0,0,0|1,0,0]=3 585 B13R1.349 [O-][N+](=O)c1ccccc1S(=O)(=O)C Amb10842190 [0,1,1,0,0,0|2,0,0]=4 586 B13R1.349 [O-][N+](=O)c1ccccc1S(=O)(=O)F Amb10601733 [0,1,1,0,0,0|2,0,0]=4 587 B13R1.349 [O-][N+](=O)c1ccccc1S(=O)(=O)O Amb140006 [0,1,1,0,0,0|2,0,0]=4 588 B13R1.381 C=CCc1ccccc1S(N)(=O)=O Amb24106009 [0,1,1,0,0,0|1,0,0]=3 589 B13R1.381 C=COc1ccccc1S(N)(=O)=O Amb24101385 [0,1,1,0,0,0|1,0,0]=3 590 B13R1.381 CC#Cc1ccccc1S(N)(=O)=O Amb24070027 [0,1,1,0,0,0|1,0,1]=4 591 B13R1.381 CCOc1ccccc1S(N)(=O)=O Amb22059361 [0,1,1,0,0,0|1,0,1]=4 592 B13R1.381 CNCc1ccccc1S(N)(=O)=O Amb25305220 [0,1,1,0,0,0|1,0,1]=4 593 B13R1.381 COCc1ccccc1S(N)(=O)=O Amb18320569 [0,1,1,0,0,0|0,0,2]=4 594 B13R1.381 CS(=O)(=O)c1ccccc1NC=O Amb25808678 [0,1,1,0,0,0|1,0,0]=3 595 B13R1.381 NS(=O)(=O)c1ccccc1CC#N Amb24101235 [0,1,1,0,0,0|1,0,1]=4 596 B13R1.381 [N-]=[N+]=Nc1ccccc1S(N)(=O)=O Amb19374288 [0,1,1,0,0,0|2,0,0]=4 597 B13R1.2129 C=Cc1ccccc1S(=O)(=O)O[Na] Amb22735026 [0,1,1,0,0,0|2,0,0]=4 598 B13R1.2129 CNS(=O)(=O)c1ccccc1C=O Amb25780570 [0,1,1,0,0,0|0,0,0]=2 599 B13R1.2129 CNS(=O)(=O)c1ccccc1CBr Amb24439334 [0,1,1,0,0,0|1,0,1]=4 600 B13R1.2129 CNS(=O)(=O)c1ccccc1SC Amb25040801 [0,1,1,0,0,0|2,0,0]=4 601 B13R1.2129 COc1ccccc1S(=O)(=O)NO Amb18566664 [0,1,1,0,0,0|2,0,0]=4 602 B13R1.2129 N#Cc1ccccc1S(=O)(=O)NO Amb25163449 [0,1,1,0,0,0|1,0,1]=4 603 B13R1.2129 NCc1ccccc1S(=O)(=O)NC Amb1132441 [0,1,1,0,0,0|1,0,1]=4 604 B13R1.2129 O=Cc1ccccc1S(=O)(=O)CF Amb24578627 [0,1,1,0,0,0|1,0,0]=3 605 B13R1.2129 O=Cc1ccccc1S(=O)(=O)O[Na] Amb22338186 [0,1,1,0,0,0|1,0,0]=3 606 B13R1.2136 C=Cc1cccc(Cl)c1S(=O)(=O)Cl Amb25773966 [0,1,1,0,0,0|2,0,0]=4 607 B13R1.2136 COc1cccc(Br)c1S(N)(=O)=O Amb25123258 [0,1,1,0,0,0|2,0,0]=4 608 B13R1.2136 COc1cccc(F)c1S(N)(=O)=O Amb19888936 [0,1,1,0,0,0|2,0,0]=4 609 B13R1.2136 CS(=O)(=O)c1c(cccc1F)C=O Amb24077278 [0,1,1,0,0,0|1,0,0]=3 610 B13R1.2136 CSc1cccc(O)c1S(N)(=O)=O Amb25800190 [0,1,1,0,0,0|2,0,0]=4 611 B13R1.2136 Cc1cccc(C#N)c1S(N)(=O)=O Amb24406084 [0,1,1,0,0,0|1,0,1]=4 612 B13R1.2136 Cc1cccc(OC)c1S(N)(=O)=O Amb24678994 [0,1,1,0,0,0|2,0,0]=4 613 B13R1.2136 NCc1cccc(O)c1S(N)(=O)=O Amb25798261 [0,1,1,0,0,0|1,0,1]=4 614 B13R1.2136 NS(=O)(=O)c1c(Br)cccc1C#N Amb24728265 [0,1,1,0,0,0|1,0,1]=4 615 B13R1.2136 NS(=O)(=O)c1c(Cl)cccc1C#N Amb25856907 [0,1,1,0,0,0|1,0,1]=4 616 B13R1.2136 NS(=O)(=O)c1c(cccc1F)C=O Amb25303812 [0,1,1,0,0,0|0,0,0]=2 617 B13R1.3090 CCc1ccc(O)cc1S(N)(=O)=O Amb25046911 [0,1,1,0,0,0|1,0,1]=4 618 B13R1.3090 CNc1ccc(Cl)cc1S(N)(=O)=O Amb24533557 [0,1,1,0,0,0|2,0,0]=4 619 B13R1.3090 CNc1ccc(N)cc1S(N)(=O)=O Amb25219863 [0,1,1,0,0,0|2,0,0]=4 620 B13R1.3090 COc1ccc(I)cc1S(N)(=O)=O Amb24422827 [0,1,1,0,0,0|2,0,0]=4 621 B13R1.3090 COc1ccc(O)cc1S(N)(=O)=O Amb25670138 [0,1,1,0,0,0|2,0,0]=4 622 B13R1.3090 COc1ccc(cc1S(=O)(=O)N)C Amb1135590 [0,1,1,0,0,0|2,0,0]=4 623 B13R1.3090 COc1ccc(cc1S(=O)(=O)N)Cl Amb13961996 [0,1,1,0,0,0|2,0,0]=4 624 B13R1.3090 COc1ccc(cc1S(=O)(=O)N)F Amb1931162 [0,1,1,0,0,0|2,0,0]=4 625 B13R1.3090 COc1ccc(cc1S(=O)(=O)N)N Amb10609033 [0,1,1,0,0,0|2,0,0]=4 626 B13R1.3090 COc1ccc(cc1S(=O)(=O)N)N Amb1107874 [0,1,1,0,0,0|2,0,0]=4 627 B13R1.3090 CS(=O)(=O)c1cc(F)c[n]c1C=O Amb25034366 [0,1,1,0,0,0|2,0,0]=4 628 B13R1.3090 CS(=O)(=O)c1cc(F)ccc1C=O Amb25068322 [0,1,1,0,0,0|1,0,0]=3 629 B13R1.3090 CSc1ccc(N)cc1S(N)(=O)=O Amb25338144 [0,1,1,0,0,0|2,0,0]=4 630 B13R1.3090 Cc1cc(c(cc1)C#N)S(N)(=O)=O Amb18325006 [0,1,1,0,0,0|1,0,1]=4 631 B13R1.3090 NCc1ccc(F)cc1S(N)(=O)=O Amb24342438 [0,1,1,0,0,0|1,0,1]=4 632 B13R1.3090 NCc1ccc(O)cc1S(N)(=O)=O Amb25155456 [0,1,1,0,0,0|1,0,1]=4 633 B13R1.3090 NS(=O)(=O)c1cc(Br)ccc1C#N Amb24611257 [0,1,1,0,0,0|1,0,1]=4 634 B13R1.3090 NS(=O)(=O)c1cc(F)ccc1C#N Amb25373694 [0,1,1,0,0,0|1,0,1]=4 635 B13R1.3090 NS(=O)(=O)c1cc(O)ccc1C#N Amb25374073 [0,1,1,0,0,0|1,0,1]=4 636 B13R1.3090 Nc1cc(c(cc1)C=O)S(O)(=O)=O Amb24520886 [0,1,1,0,0,0|1,0,0]=3 637 B13R1.3090 O=Cc1ccc(cc1S(=O)(=O)O)Cl Amb17596014 [0,1,1,0,0,0|1,0,0]=3 638 B13R1.11 C#CC(=O)NC(=O)c1ccccc1 Amb24096816 [0,1,1,0,0,0|2,0,0]=4 639 B13R1.11 C=C(C=O)NC(=O)c1ccccc1 Amb24072231 [0,1,1,0,0,0|2,0,0]=4 640 B13R1.11 C=CC(=O)NC(=O)c1ccccc1 Amb24073572 [0,1,1,0,0,0|2,0,0]=4 641 B13R1.11 CC(=C=O)NC(=O)c1ccccc1 Amb24427427 [0,1,1,0,0,0|2,0,0]=4 642 B13R1.11 CC(C=O)NC(=O)c1ccccc1 Amb18127903 [0,1,1,0,0,0|2,0,0]=4 643 B13R1.11 CN(NC(=O)c1ccccc1)N=O Amb24096790 [0,1,1,0,0,0|2,0,0]=4 644 B13R1.11 COC(=O)NC(=O)c1ccccc1 Amb25190157 [0,1,1,0,0,0|1,0,1]=4 645 B13R1.11 CSC(=O)NC(=O)c1ccccc1 Amb25743426 [0,1,1,0,0,0|1,1,0]=4 646 B13R1.11 N#CC(=O)NC(=O)c1ccccc1 Amb24400616 [0,1,1,0,0,0|2,0,0]=4 647 B13R1.11 NCC(=O)NC(=O)c1ccccc1 Amb25782184 [0,1,1,0,0,0|2,0,0]=4 648 B13R1.11 O=C(NC(=O)CF)c1ccccc1 Amb24743332 [0,1,1,0,0,0|2,0,0]=4 649 B13R1.11 OCC(=O)NC(=O)c1ccccc1 Amb1109639 [0,1,1,0,0,0|1,0,1]=4 650 B13R1.11 ONC(=O)NC(=O)c1ccccc1 Amb24534607 [0,1,1,0,0,0|1,0,1]=4 651 B13R1.132 CC(=O)NC(=O)c1ccc(F)cc1 Amb18178968 [0,1,1,0,0,0|2,0,0]=4 652 B13R1.132 CC(=O)NC(=O)c1ccc(I)cc1 Amb25779064 [0,1,1,0,0,0|2,0,0]=4 653 B13R1.132 CC(=O)NC(=O)c1ccc(O)cc1 Amb18128318 [0,1,1,0,0,0|2,0,0]=4 654 B13R1.132 NC(=O)NC(=O)c1ccc(Br)cc1 Amb25355183 [0,1,1,0,0,0|2,0,0]=4 655 B13R1.132 NC(=O)NC(=O)c1ccc(N)cc1 Amb25053319 [0,1,1,0,0,0|2,0,0]=4 656 B13R1.147 CC(=O)NC(=O)c1cc(Cl)ccc1 Amb25119296 [0,1,1,0,0,0|2,0,0]=4 657 B13R1.147 CC(=O)NC(=O)c1cc(I)ccc1 Amb25690669 [0,1,1,0,0,0|2,0,0]=4 658 B13R1.147 Cc1cc(ccc1)C(=O)NC(N)=O Amb24346781 [0,1,1,0,0,0|2,0,0]=4 659 B13R1.147 NC(=O)NC(=O)c1cc(Cl)ccc1 Amb25055605 [0,1,1,0,0,0|2,0,0]=4 660 B13R1.152 CC(=O)N(O)C(=O)c1ccccc1 Amb24073570 [0,1,1,0,0,0|2,0,0]=4 661 B13R1.152 NC(=O)N(Cl)C(=O)c1ccccc1 Amb25783917 [0,1,1,0,0,0|2,0,0]=4 662 B13R1.201 CC(=O)NC(=O)c1ccccc1Br Amb25291358 [0,1,1,0,0,0|2,0,0]=4 663 B13R1.201 CC(=O)NC(=O)c1ccccc1C Amb24664090 [0,1,1,0,0,0|2,0,0]=4 664 B13R1.201 CC(=O)NC(=O)c1ccccc1Cl Amb25758002 [0,1,1,0,0,0|2,0,0]=4 665 B13R1.201 CC(=O)NC(=O)c1ccccc1F Amb18791209 [0,1,1,0,0,0|2,0,0]=4 666 B13R1.201 CC(=O)NC(=O)c1ccccc1O Amb1983211 [0,1,1,0,0,0|2,0,0]=4 667 B13R1.201 NC(=O)NC(=O)c1ccccc1Br Amb25251387 [0,1,1,0,0,0|2,0,0]=4 668 B13R1.201 NC(=O)NC(=O)c1ccccc1I Amb25313391 [0,1,1,0,0,0|2,0,0]=4 669 B13R1.201 NC(=O)NC(=O)c1ccccc1N Amb25713767 [0,1,1,0,0,0|2,0,0]=4 670 B13R1.201 NC(=O)NC(=O)c1ccccc1O Amb18128561 [0,1,1,0,0,0|2,0,0]=4 671 B13R1.352 C=C(CS(=O)(=O)Cl)c1ccccc1 Amb24401081 [0,1,1,0,0,0|2,0,0]=4 672 B13R1.352 CC(NS(N)(=O)=O)c1ccccc1 Amb25815976 [0,1,1,0,0,0|1,0,1]=4 673 B13R1.352 CC(c1ccccc1)NS(=O)(=O)Cl Amb17193931 [0,1,1,0,0,0|1,0,1]=4 674 B13R1.352 CN(NS(N)(=O)=O)c1ccccc1 Amb24343088 [0,1,1,0,0,0|2,0,0]=4 675 B13R1.352 CS(=O)(=O)NC(=O)c1cc[n]c[n]1 Amb25334607 [0,1,1,0,0,0|2,0,0]=4 676 B13R1.352 CS(=O)(=O)NC(=O)c1cc[n]cc1 Amb25358534 [0,1,1,0,0,0|1,0,0]=3 677 B13R1.352 CS(=O)(=O)[CH-]C(=O)c1ccccc1 Amb22462089 [0,1,1,0,0,0|1,0,0]=3 678 B13R1.352 C[C@@H](NS(=O)(=O)Cl)c1ccccc1 Amb25039374 [0,1,1,0,0,0|1,0,1]=4 679 B13R1.352 C[C@@H](NS(N)(=O)=O)c1ccccc1 Amb25371487 [0,1,1,0,0,0|1,0,1]=4 680 B13R1.352 C[C@H](NS(C)(=O)=O)c1ccccc1 Amb25675397 [0,1,1,0,0,0|1,0,1]=4 681 B13R1.352 C\C(=C\S(=O)(=O)Cl)\c1ccccc1 Amb24577110 [0,1,1,0,0,0|2,0,0]=4 682 B13R1.352 NS(=O)(=O)\C=C(\Cl)/c1ccccc1 Amb25099426 [0,1,1,0,0,0|2,0,0]=4 683 B13R1.352 O=C(CS(=O)(=O)Cl)c1c[n]ccc1 Amb25342121 [0,1,1,0,0,0|2,0,0]=4 684 B13R1.352 O=C(CS(=O)(=O)Cl)c1cc[n]cc1 Amb25142145 [0,1,1,0,0,0|2,0,0]=4 685 B13R1.352 O=C(CS(=O)(=O)Cl)c1ccccc1 Amb18062651 [0,1,1,0,0,0|1,0,0]=3 686 B13R1.352 O=C(c1ccccc1)NS(=O)(=O)C Amb2568897 [0,1,1,0,0,0|0,0,0]=2 687 B13R1.352 O=S(=O)(Cl)\C=C(/Cl)\c1ccccc1 Amb18560514 [0,1,1,0,0,0|2,0,0]=4 688 B13R1.352 O=S(=O)(Cl)\C=C(\Cl)/c1ccccc1 Amb25688901 [0,1,1,0,0,0|2,0,0]=4 689 B13R1.352 O=S(=O)(F)\C=C(\Cl)/c1ccccc1 Amb25156122 [0,1,1,0,0,0|2,0,0]=4 690 B13R1.352 OP(O)(=O)NC(=O)c1ccccc1 Amb22231278 [0,1,1,0,0,0|1,0,1]=4 691 B13R1.352 OS(=O)(=O)CC(=O)c1ccccc1 Amb22364624 [0,1,1,0,0,0|1,0,0]=3 692 B13R1.352 OS(=O)(=O)OC(=O)c1ccccc1 Amb25713485 [0,1,1,0,0,0|1,0,0]=3 693 B13R1.165 CC(=O)c1cc(Br)ccc1N(=O)=O Amb22371054 [0,1,1,0,0,0|2,0,0]=4 694 B13R1.165 Cc1cc(C(O)=O)c(cc1)N(=O)=O Amb20621664 [0,1,1,0,0,0|2,0,0]=4 695 B13R1.165 Cc1cc(c(cc1)C(N)=O)[N+]([O-])=O Amb23551916 [0,1,1,0,0,0|1,0,1]=4 696 B13R1.165 NC(=O)c1cc(Br)ccc1[N+]([O-])=O Amb24700714 [0,1,1,0,0,0|1,0,1]=4 697 B13R1.165 NC(=O)c1cc(F)ccc1[N+]([O-])=O Amb19057386 [0,1,1,0,0,0|1,0,1]=4 698 B13R1.165 NC(=O)c1cc(I)ccc1[N+]([O-])=O Amb24399955 [0,1,1,0,0,0|1,0,1]=4 699 B13R1.165 NC(=O)c1cc(N)ccc1[N+]([O-])=O Amb18959210 [0,1,1,0,0,0|1,0,1]=4 700 B13R1.165 NC(=O)c1cc(O)ccc1C(O)=O Amb24599952 [0,1,1,0,0,0|1,0,1]=4 701 B13R1.165 NC(=O)c1cc(O)ccc1[N+]([O-])=O Amb25320818 [0,1,1,0,0,0|1,0,1]=4 702 B13R1.165 NC(=O)c1ccc(Br)cc1[N+]([O-])=O Amb23551921 [0,1,1,0,0,0|1,0,1]=4 703 B13R1.165 NC(=O)c1ccc(Cl)cc1C(N)=O Amb17940301 [0,1,1,0,0,0|2,0,0]=4 704 B13R1.165 NC(=O)c1ccc(F)cc1[N+]([O-])=O Amb22229769 [0,1,1,0,0,0|1,0,1]=4 705 B13R1.165 NC(=O)c1ccc(N)cc1C(N)=O Amb18128355 [0,1,1,0,0,0|2,0,0]=4 706 B13R1.165 NC(=O)c1ccc(O)cc1[N+]([O-])=O Amb23401147 [0,1,1,0,0,0|1,0,1]=4 707 B13R1.165 OC(=O)c1cc(Br)ccc1N(=O)=O Amb20620550 [0,1,1,0,0,0|2,0,0]=4 708 B13R1.165 OC(=O)c1cc(O)ccc1N(=O)=O Amb20621426 [0,1,1,0,0,0|2,0,0]=4 709 B13R1.165 OC(=O)c1ccc(Br)cc1N(=O)=O Amb20620548 [0,1,1,0,0,0|2,0,0]=4 710 B13R1.165 OC(=O)c1ccc(F)cc1N(=O)=O Amb20621324 [0,1,1,0,0,0|2,0,0]=4 711 B13R1.295 CC(=O)c1cccc(O)c1N(=O)=O Amb20621427 [0,1,1,0,0,0|2,0,0]=4 712 B13R1.295 Cc1cccc(C(O)=O)c1C(N)=O Amb24342321 [0,1,1,0,0,0|1,0,1]=4 713 B13R1.295 NC(=O)c1c(Br)cccc1C(N)=O Amb23400093 [0,1,1,0,0,0|2,0,0]=4 714 B13R1.295 NC(=O)c1c(Br)cccc1[N+]([O-])=O Amb23401713 [0,1,1,0,0,0|1,0,1]=4 715 B13R1.295 NC(=O)c1c(Cl)cccc1C(O)=O Amb25112763 [0,1,1,0,0,0|1,0,1]=4 716 B13R1.295 NC(=O)c1c(F)cccc1C(N)=O Amb21858644 [0,1,1,0,0,0|2,0,0]=4 717 B13R1.295 NC(=O)c1c(F)cccc1C(O)=O Amb22495398 [0,1,1,0,0,0|1,0,1]=4 718 B13R1.295 NC(=O)c1c(F)cccc1[N+]([O-])=O Amb23437232 [0,1,1,0,0,0|1,0,1]=4 719 B13R1.295 NC(=O)c1c(I)cccc1C(O)=O Amb24065082 [0,1,1,0,0,0|1,0,1]=4 720 B13R1.295 NC(=O)c1c(I)cccc1[N+]([O-])=O Amb25039690 [0,1,1,0,0,0|1,0,1]=4 721 B13R1.295 NC(=O)c1c(O)cccc1C(N)=O Amb25798418 [0,1,1,0,0,0|2,0,0]=4 722 B13R1.295 NC(=O)c1c(O)cccc1[N+]([O-])=O Amb23412324 [0,1,1,0,0,0|1,0,1]=4 723 B13R1.295 NC(=O)c1c(cccc1N)[N+]([O-])=O Amb21857347 [0,1,1,0,0,0|1,0,1]=4 724 B13R1.295 NC(=O)c1cccc(Cl)c1[N+]([O-])=O Amb22489203 [0,1,1,0,0,0|1,0,1]=4 725 B13R1.295 NC(=O)c1cccc(F)c1C(O)=O Amb22495397 [0,1,1,0,0,0|1,0,1]=4 726 B13R1.295 NC(=O)c1cccc(N)c1[N+]([O-])=O Amb21857739 [0,1,1,0,0,0|1,0,1]=4 727 B13R1.295 NC(=O)c1cccc(O)c1[N+]([O-])=O Amb25684263 [0,1,1,0,0,0|1,0,1]=4 728 B13R1.295 Nc1cccc(c1C(O)=O)N(=O)=O Amb20620305 [0,1,1,0,0,0|2,0,0]=4 729 B13R1.295 OC(=O)c1c(Cl)cccc1N(=O)=O Amb20620782 [0,1,1,0,0,0|2,0,0]=4 730 B13R1.295 OC(=O)c1c(F)cccc1N(=O)=O Amb20621328 [0,1,1,0,0,0|2,0,0]=4 731 B13R1.295 OC(=O)c1cccc(Br)c1N(=O)=O Amb22371050 [0,1,1,0,0,0|2,0,0]=4 732 B13R1.295 [O-][N+](=O)c1cccc(c1C(=O)N)Cl Amb1094558 [0,1,1,0,0,0|1,0,1]=4 733 B13R1.547 CCC(=O)c1ccccc1C(N)=O Amb24433037 [0,1,1,0,0,0|2,0,0]=4 734 B13R1.547 CN(N=O)c1ccccc1C(N)=O Amb25210496 [0,1,1,0,0,0|2,0,0]=4 735 B13R1.547 COC(=O)c1ccccc1C(N)=O Amb22523492 [0,1,1,0,0,0|1,0,1]=4 736 B13R1.547 CS(=O)c1ccccc1C(=O)NN Amb24621486 [0,1,1,0,0,0|1,0,1]=4 737 B13R1.547 CS(=O)c1ccccc1C(=O)NO Amb24459216 [0,1,1,0,0,0|1,0,1]=4 738 B13R1.547 NC(=O)c1ccccc1C(=O)NCl Amb24493868 [0,1,1,0,0,0|2,0,0]=4 739 B13R1.547 NC(=O)c1ccccc1C(=O)NN Amb20093417 [0,1,1,0,0,0|2,0,0]=4 740 B13R1.547 NCC(=O)c1ccccc1[N+]([O-])=O Amb18972026 [0,1,1,0,0,0|1,0,1]=4 741 B13R1.547 NCC(=O)c1ccccc1[N+]([O-])=O Amb22755945 [0,1,1,0,0,0|1,0,1]=4 742 B13R1.547 NNC(=O)c1ccccc1[N+](=O)[O-] Amb1016563 [0,1,1,0,0,0|1,0,1]=4 743 B13R1.547 OC(=O)c1ccccc1C(=O)C=O Amb25783947 [0,1,1,0,0,0|2,0,0]=4 744 B13R1.547 OC(=O)c1ccccc1C(=O)NO Amb19988296 [0,1,1,0,0,0|1,0,1]=4 745 B13R1.547 [O-]C(=O)c1ccccc1C(=O)N[O-] Amb24092887 [0,1,1,0,0,0|1,0,1]=4 746 B13R2.2931 CC[C@@H]1NC(=O)c2ccccc21 Amb25733164 [1,1,0,0,0,0|2,0,0]=4 747 B13R2.2931 CNC1NC(=O)c2ccccc21 Amb22372260 [1,1,0,0,0,0|2,0,0]=4 748 B13R2.2931 COC1NC(=O)c2ccccc21 Amb24560322 [1,1,0,0,0,0|1,0,1]=4 749 B13R2.2931 N#CC1NC(=O)c2ccccc21 Amb24485599 [1,1,0,0,0,0|2,0,0]=4 750 B13R2.2931 O=C1NC(C=O)c2ccccc12 Amb25073339 [1,1,0,0,0,0|1,0,0]=3 751 B13R2.2931 O=C1N\C(=C\Cl)\c2ccccc21 Amb25172948 [1,1,0,0,0,0|2,0,0]=4 752 B13R2.2931 O=Cc1[nH]c(Br)c2ccccc21 Amb25208803 [1,1,0,0,0,0|2,0,0]=4 753 B13R2.2931 O\N=C/1\NC(=O)c2ccccc21 Amb21811521 [1,1,0,0,0,0|1,0,1]=4 754 B13R2.3085 BrC1C(=O)c2c(C1=O)cccc2 Amb10071900 [1,1,0,0,0,0|2,0,0]=4 755 B13R2.3085 C=C1c2ccccc2C(=O)N1N Amb25708998 [1,1,0,0,0,0|2,0,0]=4 756 B13R2.3085 CN1C(=O)c2ccc[n]c2C1=O Amb25072728 [1,1,0,0,0,0|2,0,0]=4 757 B13R2.3085 NC1C(=O)c2ccccc2C1=O Amb18645446 [1,1,0,0,0,0|2,0,0]=4 758 B13R2.3085 NN1C(=O)c2c(C1=O)cccc2 Amb1151859 [1,1,0,0,0,0|1,0,0]=3 759 B13R2.3085 NN1C(=O)c2c(C1=O)cccc2 Amb13884859 [1,1,0,0,0,0|1,0,0]=3 760 B13R2.3085 NN1C(=O)c2c[n]ccc2C1=O Amb24524808 [1,1,0,0,0,0|2,0,0]=4 761 B13R2.3085 NN1C(=O)c2ccc[n]c2C1=O Amb25156650 [1,1,0,0,0,0|2,0,0]=4 762 B13R2.3085 O=C1C(=O)c2ccccc2C1=O Amb18048474 [1,1,0,0,0,0|2,0,0]=4 763 B13R2.3085 O=C1C(=O)c2ccccc2C1=O Amb22001415 [1,1,0,0,0,0|2,0,0]=4 764 B13R2.3085 O=C1C(Cl)C(=O)c2ccccc12 Amb19988287 [1,1,0,0,0,0|2,0,0]=4 765 B13R2.3085 O=C1c2ccccc2C(=O)N1[K] Amb21520437 [1,1,0,0,0,0|1,0,0]=3 766 B13R2.3085 O=C1c2ccccc2C(=O)[15N]1[K] Amb22353262 [1,1,0,0,0,0|1,0,0]=3 767 B13R2.3085 O=C1c2ccccc2C(N1C)O Amb1155091 [1,1,0,0,0,0|1,0,1]=4 768 B13R2.3085 ON1C(=O)c2c(C1=O)cccc2 Amb1351864 [1,1,0,0,0,0|1,0,0]=3 769 B13R2.3085 ON1C(=O)c2c[n]ccc2C1=O Amb22234711 [1,1,0,0,0,0|2,0,0]=4 770 B13R2.3085 ON1C(=O)c2ccc[n]c2C1=O Amb22001038 [1,1,0,0,0,0|2,0,0]=4 771 B13R2.3085 [O-]N1C(=O)c2c(C1=O)cccc2 Amb16224795 [1,1,0,0,0,0|1,0,0]=3 772 B13R2.4857 CC1NC(=O)c2c(O)cccc21 Amb25246860 [1,1,0,0,0,0|2,0,0]=4 773 B13R2.4857 CN1NC(=O)c2c(N)cccc12 Amb24564482 [1,1,0,0,0,0|2,0,0]=4 774 B13R2.4857 Cc1cc[n]c2c1C(=O)NC2=O Amb24451074 [1,1,0,0,0,0|2,0,0]=4 775 B13R2.4857 Cc1cccc2C(=O)NC(=O)c12 Amb17778631 [1,1,0,0,0,0|1,0,0]=3 776 B13R2.4857 Cc1cccc2C(=O)NC(=S)c21 Amb24066166 [1,1,0,0,0,0|1,1,0]=4 777 B13R2.4857 Cc1cccc2c1C(C)NC2=O Amb25311458 [1,1,0,0,0,0|2,0,0]=4 778 B13R2.4857 N=C1NC(=O)c2c(Cl)cccc21 Amb24401544 [1,1,0,0,0,0|2,0,0]=4 779 B13R2.4857 N=C1NC(=O)c2cccc(Cl)c21 Amb24624698 [1,1,0,0,0,0|2,0,0]=4 780 B13R2.4857 Nc1c[n]cc2c1C(=O)NC2=O Amb24435053 [1,1,0,0,0,0|2,0,0]=4 781 B13R2.4857 Nc1cccc2c1C(=O)CC2=O Amb18126283 [1,1,0,0,0,0|2,0,0]=4 782 B13R2.4857 Nc1cccc2c1C(=O)NC2=O Amb24065818 [1,1,0,0,0,0|1,0,0]=3 783 B13R2.4857 Nc1cccc2c1C(=O)OC2=O Amb22233088 [1,1,0,0,0,0|2,0,0]=4 784 B13R2.4857 O=C1CC(=O)c2c1c(Cl)ccc2 Amb17594638 [1,1,0,0,0,0|2,0,0]=4 785 B13R2.4857 O=C1CC(=O)c2cccc(F)c12 Amb24364182 [1,1,0,0,0,0|2,0,0]=4 786 B13R2.4857 O=C1NC(=O)c2c1c(N)ccc2 Amb1105112 [1,1,0,0,0,0|1,0,0]=3 787 B13R2.4857 O=C1NC(=O)c2cccc(Br)c12 Amb21864647 [1,1,0,0,0,0|1,0,0]=3 788 B13R2.4857 O=C1NC(=O)c2cccc(F)c12 Amb22728698 [1,1,0,0,0,0|1,0,0]=3 789 B13R2.4857 O=C1OC(=O)c2cccc(I)c12 Amb19886550 [1,1,0,0,0,0|2,0,0]=4 790 B13R2.4857 OC1NC(=O)c2cccc(Br)c21 Amb25802010 [1,1,0,0,0,0|1,0,1]=4 791 B13R2.4857 OC1NC(=O)c2cccc(F)c21 Amb25241612 [1,1,0,0,0,0|1,0,1]=4 792 B13R2.5187 C=C1NC(=O)c2ccc(Cl)cc21 Amb25137212 [1,1,0,0,0,0|2,0,0]=4 793 B13R2.5187 CC1NC(=O)c2ccc(O)cc21 Amb24652933 [1,1,0,0,0,0|2,0,0]=4 794 B13R2.5187 C[n]1[nH]c(=O)c2ccc(Br)cc12 Amb24082848 [1,1,0,0,0,0|2,0,0]=4 795 B13R2.5187 Cc1cc2C(=N)NC(=O)c2cc1 Amb24495172 [1,1,0,0,0,0|2,0,0]=4 796 B13R2.5187 Cc1cc2c(c[n]1)C(=O)NC2=O Amb24069824 [1,1,0,0,0,0|2,0,0]=4 797 B13R2.5187 Cc1cc2c(cc1)C(=O)SC2=O Amb24092841 [1,1,0,0,0,0|2,0,0]=4 798 B13R2.5187 Cc1ccc2c([n]1)C(=O)NC2=O Amb24487188 [1,1,0,0,0,0|2,0,0]=4 799 B13R2.5187 Clc1ccc2C(=O)NC(=O)c2c1 Amb17772222 [1,1,0,0,0,0|1,0,0]=3 800 B13R2.5187 Fc1ccc2c(c1)C(=O)OC2=O Amb2236183 [1,1,0,0,0,0|2,0,0]=4 801 B13R2.5187 N=C1NC(=O)c2ccc(F)cc21 Amb24560940 [1,1,0,0,0,0|2,0,0]=4 802 B13R2.5187 Nc1cc2c(cc1)C(=O)OC2=O Amb25256881 [1,1,0,0,0,0|2,0,0]=4 803 B13R2.5187 Nc1ccc2c(c1)C(=O)NC2=O Amb16224782 [1,1,0,0,0,0|1,0,0]=3 804 B13R2.5187 O=C1C=CC2=C(N1)C(=O)NC2=O Amb24680170 [1,1,0,0,0,0|2,0,0]=4 805 B13R2.5187 O=C1NC(=O)c2c[n]c(Cl)cc12 Amb24717639 [1,1,0,0,0,0|2,0,0]=4 806 B13R2.5187 O=C1NC(=O)c2cc(Br)c[n]c12 Amb25042796 [1,1,0,0,0,0|2,0,0]=4 807 B13R2.5187 O=C1NC(=O)c2cc(F)ccc12 Amb20623908 [1,1,0,0,0,0|1,0,0]=3 808 B13R2.5187 O=C1NC(=O)c2cc(I)ccc12 Amb24744324 [1,1,0,0,0,0|1,0,0]=3 809 B13R2.5187 OC1NC(=O)c2ccc(Br)cc21 Amb21963745 [1,1,0,0,0,0|1,0,1]=4 810 B13R2.5187 Oc1cc2c(cc1)C(=O)CC2=O Amb24594676 [1,1,0,0,0,0|2,0,0]=4 811 B13R2.5187 Oc1cc2c(cc1)C(=O)NC2=O Amb18645754 [1,1,0,0,0,0|1,0,0]=3 812 B13R2.359 O=C1Nc2ccccc2S1(=O)=O Amb22049660 [1,1,0,0,0,0|2,0,0]=4 813 B13R2.3108 Fc1ccc2c(c1)CNS2(=O)=O Amb10176927 [1,1,0,0,0,0|0,0,1]=3 814 B13R2.3108 Nc1cc2C=CS(=O)(=O)c2cc1 Amb25227828 [1,1,0,0,0,0|1,0,0]=3 815 B13R2.3108 Nc1ccc2c(c1)CCS2(=O)=O Amb10074848 [1,1,0,0,0,0|1,0,1]=4 816 B13R2.3108 O=S1(=O)NCc2cc(Br)ccc12 Amb22886731 [1,1,0,0,0,0|0,0,1]=3 817 B13R2.3791 Nc1cc2c(CNS2(=O)=O)cc1 Amb22170456 [1,1,0,0,0,0|0,0,1]=3 818 B13R2.3791 Nc1cc2c(cc1)OCS2(=O)=O Amb24693840 [1,1,0,0,0,0|2,0,0]=4 819 B13R2.3791 O=S1(=O)C=Cc2ccc(F)cc12 Amb25081867 [1,1,0,0,0,0|1,0,0]=3 820 B13R2.3791 O=S1(=O)CCc2ccc(Br)cc12 Amb25134983 [1,1,0,0,0,0|1,0,1]=4 821 B13R2.3791 O=S1(=O)CCc2ccc(S)cc12 Amb25376719 [1,1,0,0,0,0|1,0,1]=4 822 B13R2.3791 O=S1(=O)NCc2ccc(Br)cc12 Amb22886728 [1,1,0,0,0,0|0,0,1]=3 823 B13R2.3791 O=S1(=O)NCc2ccc(Cl)cc12 Amb25365099 [1,1,0,0,0,0|0,0,1]=3 824 B13R2.4848 O=S1(=O)C=Cc2c(F)cccc12 Amb25314323 [1,1,0,0,0,0|1,0,0]=3 825 B13R2.4848 Oc1cccc2c1CCS2(=O)=O Amb18129410 [1,1,0,0,0,0|1,0,1]=4 826 B13R2.13023 O=S1(=O)C=Cc2cccc(I)c12 Amb25039292 [1,1,0,0,0,0|1,0,0]=3 827 B13R2.13023 O=S1(=O)CCc2cccc(Br)c12 Amb25063088 [1,1,0,0,0,0|1,0,1]=4 828 B13R2.3751 C[n]1[n]cc2c1S(=O)(=O)NC2=O Amb24535419 [0,1,0,0,1,0|2,0,0]=4 829 B15R2.7491 CC1=CS(=O)(=O)c2ccc(Br)cc2O1 Amb19942543 [0,1,0,0,0,1|2,0,0]=4 830 B15R2.7491 CC1=CS(=O)(=O)c2ccc(Cl)cc2O1 Amb19942542 [0,1,0,0,0,1|2,0,0]=4 831 B15R2.7491 CC=1NS(=O)(=O)c2ccc(N)cc2N1 Amb24452227 [0,1,0,0,0,1|1,0,0]=3 832 B15R2.7491 Cc1cc2NC(=N)NS(=O)(=O)c2cc1 Amb25110015 [0,1,0,0,0,1|1,0,0]=3 833 B15R2.7491 Cc1cc2NC(=S)NS(=O)(=O)c2cc1 Amb20248534 [0,1,0,0,0,1|0,1,0]=3 834 B15R2.7491 Cc1cc2NC(C)=NS(=O)(=O)c2cc1 Amb24336495 [0,1,0,0,0,1|1,0,1]=4 835 B15R2.7491 Cc1ccc2c(c1)NC(=O)N=S2(C)=O Amb24640340 [0,1,0,0,0,1|1,0,1]=4 836 B15R2.7491 Nc1cc2NC(=O)CS(=O)(=O)c2cc1 Amb18137456 [0,1,0,0,0,1|1,0,0]=3 837 B15R2.7491 O=C1CS(=O)(=O)c2[n]cc(Cl)cc2N1 Amb24659967 [0,1,0,0,0,1|2,0,0]=4 838 B15R2.7491 O=C1CS(=O)(=O)c2ccc(Cl)cc2N1 Amb25049687 [0,1,0,0,0,1|1,0,0]=3 839 B15R2.7491 O=C1CS(=O)(=O)c2ccc(I)cc2N1 Amb25237098 [0,1,0,0,0,1|1,0,0]=3 840 B15R2.7491 O=C1Nc2cc(F)ccc2S(=O)(=O)N1 Amb25289177 [0,1,0,0,0,1|0,0,0]=2 841 B15R2.7491 O=C1Nc2cc(I)ccc2S(=O)(=O)N1 Amb25084448 [0,1,0,0,0,1|0,0,0]=2 842 B15R2.7491 O=S1(=O)NC(=S)Nc2cc(Cl)ccc12 Amb24342819 [0,1,0,0,0,1|0,1,0]=3 843 B15R2.13166 CC1=NS(=O)(=O)c2ccccc2N1C Amb22478650 [0,1,0,0,0,1|1,0,1]=4 844 B15R2.13166 CN1C(=S)NS(=O)(=O)c2ccccc12 Amb19860905 [0,1,0,0,0,1|0,1,0]=3 845 B15R2.13166 CN1C(N)=NS(=O)(=O)c2ccccc12 Amb18131230 [0,1,0,0,0,1|1,0,1]=4 846 B15R2.13166 CN1C([O-])=NS(=O)(=O)c2ccccc12 Amb19928824 [0,1,0,0,0,1|0,0,2]=4 847 B15R2.13166 CN1c2ccccc2S(=O)(=O)CC1=O Amb22444138 [0,1,0,0,0,1|1,0,0]=3 848 B15R2.13166 CN1c2ccccc2S(=O)(=O)NC1=O Amb22455071 [0,1,0,0,0,1|0,0,0]=2 849 B15R2.13166 ClC1=NS(=O)(=O)c2c(N1C)cccc2 Amb2414164 [0,1,0,0,0,1|1,0,1]=4 850 B15R2.13166 NC1=CS(=O)(=O)c2ccccc2C1=O Amb18656463 [0,1,0,0,0,1|2,0,0]=4 851 B15R2.13166 NN1c2ccccc2S(=O)(=O)CC1=O Amb19942538 [0,1,0,0,0,1|1,0,0]=3 852 B15R2.13973 Brc1ccc2c(c1)S(=O)(=O)N=C(N2)C Amb10609777 [0,1,0,0,0,1|1,0,1]=4 853 B15R2.13973 CC1Nc2ccc(cc2S(=O)(=O)N1)Cl Amb10807567 [0,1,0,0,0,1|1,0,1]=4 854 B15R2.13973 CC=1NS(=O)(=O)c2cc(N)ccc2N1 Amb18131297 [0,1,0,0,0,1|1,0,0]=3 855 B15R2.13973 CC=1Nc2ccc(O)cc2S(=O)(=O)N1 Amb18657247 [0,1,0,0,0,1|1,0,1]=4 856 B15R2.13973 Cc1cc2c(cc1)NC(C)=NS2(=O)=O Amb25075677 [0,1,0,0,0,1|1,0,1]=4 857 B15R2.13973 Cc1ccc2c(c1)S(=O)(=O)N=C(N2)Cl Amb17249229 [0,1,0,0,0,1|1,0,1]=4 858 B15R2.13973 Clc1ccc2c(c1)S(=O)(=O)N=C(N2)Cl Amb17261944 [0,1,0,0,0,1|1,0,1]=4 859 B15R2.13973 Clc1ccc2c(c1)S(=O)(=O)NC(=N2)C Amb10843847 [0,1,0,0,0,1|1,0,0]=3 860 B15R2.13973 Clc1ccc2c(c1)S(=O)(=O)[15N]=[13C](N2)[13CH3] Amb17612488 [0,1,0,0,0,1|1,0,1]=4 861 B15R2.13973 Fc1ccc2c(c1)S(=O)(=O)N=C(N2)Cl Amb17251921 [0,1,0,0,0,1|1,0,1]=4 862 B15R2.13973 NC=1NS(=O)(=O)c2cc(Cl)ccc2N1 Amb22464079 [0,1,0,0,0,1|1,0,0]=3 863 B15R2.13973 Nc1cc2c(CC(=O)NS2(=O)=O)cc1 Amb25119268 [0,1,0,0,0,1|0,0,0]=2 864 B15R2.13973 Nc1cc2c(cc1)NC(=O)NS2(=O)=O Amb25035889 [0,1,0,0,0,1|0,0,0]=2 865 B15R2.13973 O=C1CS(=O)(=O)c2cc(Br)ccc2N1 Amb25049688 [0,1,0,0,0,1|1,0,0]=3 866 B15R2.13973 O=C1CS(=O)(=O)c2cc(Cl)ccc2N1 Amb25776252 [0,1,0,0,0,1|1,0,0]=3 867 B15R2.13973 O=C1Nc2ccc(cc2S(=O)(=O)N1)Br Amb17546275 [0,1,0,0,0,1|0,0,0]=2 868 B15R2.13973 O=C1Nc2ccc(cc2S(=O)(=O)N1)Cl Amb17250520 [0,1,0,0,0,1|0,0,0]=2 869 B15R2.13973 O=C1Nc2ccc(cc2S(=O)(=O)N1)F Amb17242193 [0,1,0,0,0,1|0,0,0]=2 870 B15R2.13973 O=C1Nc2ccc(cc2S(=O)(=O)N1)I Amb17546273 [0,1,0,0,0,1|0,0,0]=2 871 B15R2.13973 S=C1Nc2ccc(cc2S(=O)(=O)N1)Br Amb17546262 [0,1,0,0,0,1|0,1,0]=3 872 B15R2.13973 S=C1Nc2ccc(cc2S(=O)(=O)N1)Cl Amb17546270 [0,1,0,0,0,1|0,1,0]=3 873 B15R2.13973 S=C1Nc2ccc(cc2S(=O)(=O)N1)F Amb17546257 [0,1,0,0,0,1|0,1,0]=3 874 B15R2.14213 CC1C(=O)Nc2ccccc2S1(=O)=O Amb25743390 [0,1,0,0,0,1|1,0,0]=3 875 B15R2.14213 ClC1=Nc2ccccc2S(=O)(=O)N1C Amb17249230 [0,1,0,0,0,1|1,0,0]=3 876 B15R2.14213 O=C1Nc2ccccc2S(=O)(=O)N1C Amb17241135 [0,1,0,0,0,1|0,0,0]=2 877 B15R2.21244 C=CC1Nc2ccccc2S(=O)(=O)N1 Amb24336561 [0,1,0,0,0,1|1,0,1]=4 878 B15R2.21244 C=CC=1Nc2ccccc2S(=O)(=O)N1 Amb25035891 [0,1,0,0,0,1|1,0,1]=4 879 B15R2.21244 CNC1=NS(=O)(=O)c2c(N1)cccc2 Amb17545795 [0,1,0,0,0,1|1,0,1]=4 880 B15R2.21244 COC1=CS(=O)(=O)c2ccccc2N1 Amb24452235 [0,1,0,0,0,1|1,0,1]=4 881 B15R2.21244 CSC=1NS(=O)(=O)c2ccccc2N1 Amb22463100 [0,1,0,0,0,1|0,1,0]=3 882 B15R2.21244 NCC1=Nc2ccccc2S(=O)(=O)N1 Amb13902404 [0,1,0,0,0,1|1,0,0]=3 883 B15R2.61354 CC=1NS(=O)(=O)c2cccc(N)c2N1 Amb18131292 [0,1,0,0,0,1|1,0,0]=3 884 B15R2.61354 Cc1cc[n]c2c1NC(=O)CS2(=O)=O Amb25091379 [0,1,0,0,0,1|2,0,0]=4 885 B15R2.61354 ClC1=NS(=O)(=O)c2c(N1)c(C)ccc2 Amb17249228 [0,1,0,0,0,1|1,0,1]=4 886 B15R2.61354 ClC1=NS(=O)(=O)c2c(N1)c(Cl)ccc2 Amb17261943 [0,1,0,0,0,1|1,0,1]=4 887 B15R2.61354 ClC1=NS(=O)(=O)c2c(N1)c(F)ccc2 Amb17251920 [0,1,0,0,0,1|1,0,1]=4 888 B15R2.61354 O=C1CS(=O)(=O)c2cccc(Cl)c2N1 Amb25282196 [0,1,0,0,0,1|1,0,0]=3 889 B15R2.61354 O=C1CS(=O)(=O)c2cccc(F)c2N1 Amb25085457 [0,1,0,0,0,1|1,0,0]=3 890 B15R2.61354 O=C1Nc2c(C)cccc2S(=O)(=O)N1 Amb17241134 [0,1,0,0,0,1|0,0,0]=2 891 B15R2.61354 O=C1Nc2c(Cl)cccc2S(=O)(=O)N1 Amb17250519 [0,1,0,0,0,1|0,0,0]=2 892 B15R2.61354 O=C1Nc2c(F)cccc2S(=O)(=O)N1 Amb17242192 [0,1,0,0,0,1|0,0,0]=2 893 B15R2.61354 O=C1Nc2c(I)cccc2S(=O)(=O)N1 Amb23597166 [0,1,0,0,0,1|0,0,0]=2 894 B15R2.61354 O=S1(=O)NC(Cl)=Nc2c(I)cccc12 Amb23557199 [0,1,0,0,0,1|1,0,0]=3 895 B15R2.61361 O=C1CS(=O)(=O)c2c(Cl)cccc2N1 Amb25826281 [0,1,0,0,0,1|1,0,0]=3 896 B15R2.61361 O=C1CS(=O)(=O)c2c(F)cccc2N1 Amb25719121 [0,1,0,0,0,1|1,0,0]=3 897 B15R2.7494 Clc1ccc2c(c1)C(=O)CCS2(=O)=O Amb1156652 [0,1,0,0,0,1|1,0,0]=3 898 B15R2.7494 Fc1ccc2c(c1)C(=O)CCS2(=O)=O Amb1154178 [0,1,0,0,0,1|1,0,0]=3 899 B15R2.7494 Nc1ccc2c(c1)C(=O)CCS2(=O)=O Amb24642899 [0,1,0,0,0,1|1,0,0]=3 900 B15R2.7494 O=C1CCS(=O)(=O)c2ccc(I)cc12 Amb25714725 [0,1,0,0,0,1|1,0,0]=3 901 B15R2.13622 Cc1cccc2c1S(=O)(=O)CCC2=O Amb25164670 [0,1,0,0,0,1|1,0,0]=3 902 B15R2.13622 Nc1cccc2c1S(=O)(=O)CCC2=O Amb24410182 [0,1,0,0,0,1|1,0,0]=3 903 B15R2.13622 O=C1CCS(=O)(=O)c2c1cccc2I Amb25070519 [0,1,0,0,0,1|1,0,0]=3 904 B15R2.14787 CN1CNS(=O)(=O)c2cc(O)ccc12 Amb25752584 [0,1,0,0,0,1|2,0,0]=4 905 B15R2.14787 Nc1cc2c(cc1)C(=O)CCS2(=O)=O Amb24395140 [0,1,0,0,0,1|1,0,0]=3 906 B15R2.14787 O=C1CCS(=O)(=O)c2cc(Br)ccc12 Amb25748015 [0,1,0,0,0,1|1,0,0]=3 907 B15R2.14787 O=C1CCS(=O)(=O)c2cc(F)ccc12 Amb25844455 [0,1,0,0,0,1|1,0,0]=3 908 B15R2.14787 O=C1CCS(=O)(=O)c2cc(I)ccc12 Amb25812951 [0,1,0,0,0,1|1,0,0]=3 909 B15R2.14787 O=C1NCS(=O)(=O)c2cc(Br)ccc12 Amb23453072 [0,1,0,0,0,1|0,0,0]=2 910 B15R2.14787 Oc1cc2c(cc1)C(=O)CCS2(=O)=O Amb25825397 [0,1,0,0,0,1|1,0,0]=3 911 B15R2.61346 Cc1cccc2c1C(=O)CCS2(=O)=O Amb24690873 [0,1,0,0,0,1|1,0,0]=3 912 B15R2.61346 Nc1cccc2c1C(=O)CCS2(=O)=O Amb25307990 [0,1,0,0,0,1|1,0,0]=3 913 B15R2.61346 O=C1CCS(=O)(=O)c2cccc(F)c12 Amb25817709 [0,1,0,0,0,1|1,0,0]=3 914 B15R2.61763 O=C1CN(C)S(=O)(=O)c2c1cccc2 Amb1992592 [0,1,0,0,0,1|0,0,0]=2 915 B15R2.89224 CNC1=NNS(=O)(=O)c2ccccc21 Amb25689620 [0,1,0,0,0,1|1,0,0]=3 916 B15R2.89224 NNC1=NNS(=O)(=O)c2ccccc21 Amb22446449 [0,1,0,0,0,1|1,0,0]=3 917 B15R2.89224 N\N=C/1\CCS(=O)(=O)c2ccccc12 Amb25286301 [0,1,0,0,0,1|2,0,0]=4 918 B15R2.89224 O=CC1CCS(=O)(=O)c2ccccc21 Amb24373739 [0,1,0,0,0,1|1,0,1]=4 919 B15R2.89224 O\N=C/1\CCS(=O)(=O)c2ccccc12 Amb24373738 [0,1,0,0,0,1|1,0,1]=4 920 B15R2.89224 O\N=C\1/CCS(=O)(=O)c2ccccc12 Amb19665539 [0,1,0,0,0,1|1,0,1]=4 921 B15R2.137321 O=S1(=O)CCS(=O)(=O)c2ccccc12 Amb24521958 [0,1,0,0,0,1|2,0,0]=4 922 B15R2.13861 O=C1CS(=O)(=O)N(c2c1cccc2)C Amb2445888 [0,1,0,0,0,1|1,0,0]=3 923 B15R2.25888 CC1(Cc2ccccc2C(=O)N1)C=O Amb25804150 [0,1,0,0,0,1|2,0,0]=4 924 B15R2.50278 NC1=NS(=O)(=O)Oc2ccc(F)cc21 Amb25142038 [0,1,0,0,0,1|1,0,1]=4 925 B15R2.50278 O=C1CS(=O)(=O)Nc2ccc(F)cc12 Amb23451291 [0,1,0,0,0,1|1,0,0]=3 926 B15R2.50278 O=C1CS(=O)(=O)Oc2ccc(Cl)cc12 Amb25268236 [0,1,0,0,0,1|1,0,0]=3 927 B15R2.61364 Cc1cccc2OS(=O)(=O)N=C(N)c21 Amb24447092 [0,1,0,0,0,1|1,0,1]=4 928 B15R2.61364 NC1=NS(=O)(=O)Oc2cccc(F)c21 Amb24506501 [0,1,0,0,0,1|1,0,1]=4 929 B15R2.63911 NC1=NS(=O)(=O)Oc2cc(F)ccc21 Amb25267518 [0,1,0,0,0,1|1,0,1]=4 930 B15R2.4975 NCc1ccc2c(c1)C(=O)NS2(=O)=O Amb25739010 [0,2,0,0,0,0|0,0,0]=2 931 B15R2.4975 NNc1cc2C(=O)NS(=O)(=O)c2cc1 Amb25359297 [0,2,0,0,0,0|0,0,0]=2 932 B15R2.4975 ONc1cc2C(=O)NS(=O)(=O)c2cc1 Amb24608232 [0,2,0,0,0,0|0,0,0]=2 933 B15R2.43586 CC1(C)NS(=O)(=O)c2cc(Br)ccc12 Amb25040478 [0,2,0,0,0,0|1,0,1]=4 934 B15R2.43587 CN1C(=O)c2cc(N)ccc2S1(=O)=O Amb18943951 [0,2,0,0,0,0|0,0,0]=2 935 B15R2.53061 Cc1cc(F)cc2c1S(=O)(=O)NC2=O Amb20667827 [0,2,0,0,0,0|0,0,0]=2 936 B15R2.106949 NNC1=NS(=O)(=O)c2ccc(Cl)cc21 Amb25676433 [0,2,0,0,0,0|1,0,1]=4 937 B15R2.20946 COc1cccc2c1C(N)=NS2(=O)=O Amb18657251 [0,2,0,0,0,0|1,0,1]=4 938 B15R2.61519 CC1(C)NS(=O)(=O)c2cccc(O)c12 Amb25129000 [0,2,0,0,0,0|1,0,1]=4 939 B15R2.107183 Cc1cccc2c1C(NC)=NS2(=O)=O Amb24410142 [0,2,0,0,0,0|1,0,1]=4 940 B15R2.147587 Nc1cc(Cl)cc2c1C(=O)NS2(=O)=O Amb25740588 [0,2,0,0,0,0|0,0,0]=2 941 B15R2.147587 Nc1cc(Cl)cc2c1C(N)=NS2(=O)=O Amb24748239 [0,2,0,0,0,0|1,0,1]=4 942 B15R2.27423 Cc1cccc2c1S(=O)(=O)N=C2NC Amb25685978 [0,2,0,0,0,0|1,0,1]=4 943 B15R2.154941 Clc1cccc2c1S(=O)(=O)C(=C2Cl)C Amb10069000 [0,2,0,0,0,0|2,0,0]=4 944 B15R2.22361 COc1cc2c(cc1)C(=O)NS2(=O)=O Amb25857001 [0,2,0,0,0,0|0,0,0]=2 945 B15R2.63892 CN1C(=O)c2ccc(N)cc2S1(=O)=O Amb18943950 [0,2,0,0,0,0|0,0,0]=2 946 B15R2.63892 Cc1cc2c(cc1)C(N)=C(C)S2(=O)=O Amb25768862 [0,2,0,0,0,0|2,0,0]=4 947 B15R2.56234 CCNC1=NS(=O)(=O)c2c1cccc2 Amb1952988 [0,2,0,0,0,0|1,0,1]=4 948 B15R2.124185 CN1\C(=N/N)\c2ccccc2S1(=O)=O Amb22170632 [0,2,0,0,0,0|1,0,0]=3 949 B15R2.160873 CC(O)C1=CS(=O)(=O)c2ccccc12 Amb24559552 [0,2,0,0,0,0|1,0,1]=4 950 B15R2.160873 CN(C1=NS(=O)(=O)c2c1cccc2)C Amb1952990 [0,2,0,0,0,0|1,0,1]=4 951 B15R2.160873 CN(C1=NS(=O)(=O)c2c1cccc2)N Amb1013954 [0,2,0,0,0,0|1,0,1]=4 952 B15R2.160873 OC(=O)C1NS(=O)(=O)c2ccccc21 Amb25309473 [0,2,0,0,0,0|0,0,1]=3 953 B15R2.160873 OC(=O)[C@@H]1NS(=O)(=O)c2ccccc21 Amb24696990 [0,2,0,0,0,0|0,0,1]=3 954 B15R2.160873 [O-][N+](=O)C1=CS(=O)(=O)c2ccccc12 Amb25249244 [0,2,0,0,0,0|1,0,0]=3 955 B15R2.43349 CC1(C)c2ccccc2S(=O)(=O)N1F Amb22347860 [0,2,0,0,0,0|1,0,1]=4 956 B15R2.43349 CN1C(C)(C)c2ccccc2S1(=O)=O Amb22440756 [0,2,0,0,0,0|1,0,1]=4 957 B15R2.43349 O=S1(=O)c2ccccc2S(=O)(=O)N1F Amb22011846 [0,2,0,0,0,0|1,0,0]=3 958 B15R2.202 CCN1C(=O)c2c(S1(=O)=O)cccc2 Amb1794893 [0,2,0,0,0,0|0,0,0]=2 959 B15R2.202 O=C1c2ccccc2S(=O)(=O)N1C=O Amb24323705 [0,2,0,0,0,0|0,0,0]=2 960 B11R0.165 C\C=C\C=CC(=O)NS(C)(=O)=O Amb25154755 [0,0,2,0,0,0|0,0,2]=4 961 B13R2.3122 O=S1(=O)NC=Nc2c1cccc2 Amb10609888 [0,0,1,1,0,0|1,0,0]=3 962 B13R2.3122 O=S1(=O)NCNc2c1cccc2 Amb1420757 [0,0,1,1,0,0|1,0,1]=4 963 B13R2.3122 O=S1(=O)NN=Cc2c1cccc2 Amb13951146 [0,0,1,1,0,0|2,0,0]=4 964 B13R2.3122 O=S1(=O)NN=Nc2ccccc12 Amb24487365 [0,0,1,1,0,0|2,0,0]=4 965 B13R2.173 O=S1(=O)CC(=C1)c2ccccc2 Amb22386892 [0,0,1,1,0,0|2,0,0]=4 966 B13R2.328 O=C1NC(=O)Oc2ccccc12 Amb20243206 [0,0,1,1,0,0|1,0,1]=4 967 B13R2.328 O=C1NC(=O)Sc2ccccc12 Amb22036855 [0,0,1,1,0,0|1,1,0]=4 968 B13R2.328 O=C1NC(=O)c2c(C1)cccc2 Amb1221580 [0,0,1,1,0,0|2,0,0]=4 969 B13R2.328 O=C1Nc2ccccc2C(=O)N1 Amb18005794 [0,0,1,1,0,0|2,0,0]=4 970 B13R2.328 O=c1[nH]c2ccccc2c(=O)[nH]1 Amb1157217 [0,0,1,1,0,0|2,0,0]=4 971 B13R2.371 O=C1NCC(=O)c2ccccc12 Amb22372293 [0,0,1,1,0,0|2,0,0]=4 972 B13R2.371 O=C1NCS(=O)c2ccccc12 Amb25667389 [0,0,1,1,0,0|1,0,1]=4 973 B13R2.371 O=C1NNC(=O)c2ccccc12 Amb18800603 [0,0,1,1,0,0|2,0,0]=4 974 B13R2.371 O=c1[nH][nH]c(=O)c2c1cccc2 Amb1641093 [0,0,1,1,0,0|2,0,0]=4 975 B13R2.4900 O=C1Nc2c[s]cc2S(=O)(=O)N1 Amb25313100 [0,0,1,1,0,0|2,0,0]=4 976 B13R2.5232 O=C1NS(=O)(=O)Cc2ccoc12 Amb24547122 [0,0,1,1,0,0|1,0,1]=4 977 B11R1.58 CS(=O)(=O)[n]1cccc1C=O Amb20669249 [0,0,1,0,1,0|2,0,0]=4 978 B11R1.58 NS(=O)(=O)c1[s]ccc1C=O Amb25683511 [0,0,1,0,1,0|1,0,0]=3 979 B11R1.36 NC(=O)C(=O)c1ccccc1 Amb18560879 [0,0,1,0,1,0|2,0,0]=4 980 B11R1.36 O=C(c1ccccc1)C(=O)Br Amb24096833 [0,0,1,0,1,0|2,0,0]=4 981 B11R1.36 O=C(c1ccccc1)C(=O)C Amb2099500 [0,0,1,0,1,0|2,0,0]=4 982 B11R1.36 O=C(c1ccccc1)C(=O)Cl Amb17594226 [0,0,1,0,1,0|2,0,0]=4 983 B11R2.54 O=C1C(Cl)c2ccccc21 Amb21948336 [1,0,0,0,1,0|2,0,0]=4 984 B11R2.54 O=C1c2cc[n]cc2C1=O Amb24606585 [1,0,0,0,1,0|2,0,0]=4 985 B11R2.54 O=C1c2ccccc2C1=O Amb18048412 [1,0,0,0,1,0|1,0,0]=3 986 B11R2.202 O=C1NC(=O)c2cc[s]c12 Amb25335417 [1,0,0,0,1,0|2,0,0]=4 987 B11R2.202 O=C1NC(=O)c2ccc[n]12 Amb25351572 [1,0,0,0,1,0|2,0,0]=4 988 B13R1.1327 C=CCS(=O)(=O)Nc1ccccc1 Amb2228075 [0,0,1,0,0,1|2,0,0]=4 989 B13R1.1327 CCNS(=O)(=O)Nc1ccccc1 Amb16962119 [0,0,1,0,0,1|1,0,1]=4 990 B13R1.1327 O=C=NS(=O)(=O)Cc1ccccc1 Amb25342331 [0,0,1,0,0,1|0,0,2]=4 991 B13R1.622 CCc1ccccc1CS(N)(=O)=O Amb18331251 [0,0,1,0,0,1|1,0,1]=4 992 B13R1.622 CCc1ccccc1OS(N)(=O)=O Amb24084105 [0,0,1,0,0,1|1,0,1]=4 993 B13R1.622 COc1ccccc1CS(N)(=O)=O Amb19087800 [0,0,1,0,0,1|2,0,0]=4 994 B13R1.622 COc1ccccc1NS(N)(=O)=O Amb24072027 [0,0,1,0,0,1|2,0,0]=4 995 B13R1.622 COc1ccccc1OS(N)(=O)=O Amb25686735 [0,0,1,0,0,1|2,0,0]=4 996 B13R1.622 CS(=O)(=O)Nc1ccccc1C=O Amb17935682 [0,0,1,0,0,1|1,0,0]=3 997 B13R1.622 CS(=O)(=O)Oc1ccc[n]c1C=O Amb25853380 [0,0,1,0,0,1|2,0,0]=4 998 B13R1.622 CS(=O)(=O)Oc1ccccc1C=O Amb22450082 [0,0,1,0,0,1|1,0,0]=3 999 B13R1.622 N#Cc1ccccc1CS(=O)(=O)N Amb1141796 [0,0,1,0,0,1|1,0,1]=4 1000 B13R1.622 NS(=O)(=O)Nc1ccccc1CO Amb24341380 [0,0,1,0,0,1|0,0,2]=4 1001 B13R1.622 NS(=O)(=O)Oc1ccc[n]c1C=O Amb25283820 [0,0,1,0,0,1|1,0,0]=3 1002 B13R1.622 O=Cc1ccccc1CS(=O)(=O)Cl Amb24079975 [0,0,1,0,0,1|1,0,0]=3 1003 B13R1.622 OS(=O)(=O)Cc1ccccc1C=O Amb25854265 [0,0,1,0,0,1|1,0,0]=3 1004 B13R1.45 CC(=O)NOC(=O)c1ccccc1 Amb24726089 [0,0,1,0,0,1|2,0,0]=4 1005 B13R1.45 CC(=O)ONC(=O)c1ccccc1 Amb24106396 [0,0,1,0,0,1|2,0,0]=4 1006 B13R1.45 NC(=O)NCC(=O)c1ccccc1 Amb24725690 [0,0,1,0,0,1|2,0,0]=4 1007 B13R1.45 NC(=O)NOC(=O)c1ccccc1 Amb25806893 [0,0,1,0,0,1|2,0,0]=4 1008 B13R1.45 NC(=O)ONC(=O)c1ccccc1 Amb24635646 [0,0,1,0,0,1|2,0,0]=4 1009 B13R1.45 O=C(NCC(=O)S)c1ccccc1 Amb24490432 [0,0,1,0,0,1|1,1,0]=4 1010 B13R1.45 O=C(c1ccccc1)CNC(=O)C Amb17335159 [0,0,1,0,0,1|2,0,0]=4 1011 B13R1.45 O=C(c1ccccc1)NCC(=O)O Amb1006961 [0,0,1,0,0,1|1,0,1]=4 1012 B13R1.45 O=C(c1ccccc1)NCC(=O)O Amb17616813 [0,0,1,0,0,1|1,0,1]=4 1013 B13R1.45 OC(=O)CNC(=O)c1ccccc1 Amb1197580 [0,0,1,0,0,1|1,0,1]=4 1014 B13R1.348 CC(=O)NC(=O)Cc1ccccc1 Amb24073557 [0,0,1,0,0,1|2,0,0]=4 1015 B13R1.348 NC(=O)NC(=O)Oc1ccccc1 Amb24635786 [0,0,1,0,0,1|2,0,0]=4 1016 B13R1.348 O=C(Nc1ccccc1)NC(=O)N Amb2222030 [0,0,1,0,0,1|2,0,0]=4 1017 B13R1.589 CC(=O)Sc1ccccc1C(N)=O Amb24407251 [0,0,1,0,0,1|2,0,0]=4 1018 B13R1.589 CS(=O)c1ccccc1CC(N)=O Amb25066210 [0,0,1,0,0,1|1,0,1]=4 1019 B13R1.589 NC(=O)Cc1ccccc1C(O)=O Amb25234469 [0,0,1,0,0,1|1,0,1]=4 1020 B13R1.589 NC(=O)Nc1ccccc1C(=O)O Amb1116749 [0,0,1,0,0,1|1,0,1]=4 1021 B13R2.222 O=S1(=O)COc2ccccc2N1 Amb25700041 [1,0,0,0,0,1|2,0,0]=4 1022 B13R2.222 O=S1(=O)NCc2ccccc2O1 Amb25134410 [1,0,0,0,0,1|0,0,1]=3 1023 B13R2.5152 O=C1CCS(=O)(=O)c2c1ccs2 Amb2422242 [0,0,0,0,1,1|2,0,0]=4 1024 B13R2.5152 O=C1CNS(=O)(=O)c2c1scc2 Amb1102722 [0,0,0,0,1,1|1,0,0]=3 1025 B13R2.5152 O=C1CNS(=O)(=O)c2c[nH]cc12 Amb25376916 [0,0,0,0,1,1|1,0,0]=3 1026 B15R2.992 O=C1Nc2ccccc2NS(=O)(=O)N1 Amb22454274 [0,0,0,0,0,2|0,0,0]=2 1027 B15R2.7341 CC1Cc2ccccc2S(=O)(=O)NC1 Amb25265984 [0,0,0,0,0,2|1,0,1]=4 1028 B15R2.7341 O=C1CCS(=O)(=O)c2[n]cccc2N1 Amb24591357 [0,0,0,0,0,2|2,0,0]=4 1029 B15R2.7341 O=C1CCS(=O)(=O)c2cc[n]cc2N1 Amb25715754 [0,0,0,0,0,2|2,0,0]=4 1030 B15R2.65988 CN1CCNS(=O)(=O)c2ccccc12 Amb25207369 [0,0,0,0,0,2|2,0,0]=4 1031 B15R2.65988 O=C1OCCS(=O)(=O)c2ccccc12 Amb22486968 [0,0,0,0,0,2|1,0,0]=3