0 B13R2.12159 CC1(C)OC(=O)C2=CC=CC=C21 SBB056312 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.12159 NC1=NS(=O)(=O)C2=C1C=CC=C2 SBB010684 [0,0,0,0,0,0|1,0,1]=2 2 B13R2.12159 O=C1NS(=O)(=O)C2=C1C=CC=C2 SBB027246 [0,0,0,0,0,0|0,0,0]=0 3 B13R2.12159 O=C1OI(=O)(O)C2=CC=CC=C12 SBB056347 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.12159 O=C1OS(=O)(=O)C2=C1C=CC=C2 SBB066363 [0,0,0,0,0,0|1,0,0]=1 5 B13R2.12159 O=S1(=O)OC(Cl)C2=C1C=CC=C2 SBB057542 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 SBB067569 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.2028 O=C1CC(=O)C2=CC=CC=C12 SBB058387 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.2028 O=C1NC(=O)C2=C1C=CC=C2 SBB059859 [1,0,0,0,0,0|1,0,0]=2 9 B12R2.2028 O=C1NC(=O)C2=C1C=CN=C2 SBB004086 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 SBB040869 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.2028 O=C1OC(=O)C2=CN=CC=C12 SBB055729 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 SBB065269 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 SBB063763 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 SBB088011 [1,0,0,0,0,0|1,0,0]=2 15 B12R1.39 C=CCS(=O)(=O)C1=CC=CC=C1 SBB055071 [0,0,1,0,0,0|2,0,0]=3 16 B12R1.39 CSCS(=O)(=O)C1=CC=CC=C1 SBB057692 [0,0,1,0,0,0|3,0,0]=4 17 B12R1.39 N#CCS(=O)(=O)C1=CC=CC=C1 SBB040032 [0,0,1,0,0,0|2,0,1]=4 18 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 SBB043962 [0,0,1,0,0,0|2,0,1]=4 19 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 SBB001719 [0,0,1,0,0,0|2,0,1]=4 20 B12R1.76 C(=O)C1=C(S(=O)(=O)[O-])C=CC=C1 SBB017275 [0,0,1,0,0,0|1,0,0]=2 21 B12R1.76 COC1=C(S(=O)(=O)Cl)C=CC=C1 SBB301624 [0,0,1,0,0,0|3,0,0]=4 22 B12R1.76 N#CC1=CC=CC=C1S(=O)(=O)Cl SBB066485 [0,0,1,0,0,0|2,0,1]=4 23 B12R1.76 N#CC1=CC=CC=C1S(N)(=O)=O SBB055166 [0,0,1,0,0,0|1,0,1]=3 24 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [0,0,1,0,0,0|3,0,0]=4 25 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 SBB058207 [0,0,1,0,0,0|3,0,0]=4 26 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 SBB035909 [0,0,1,0,0,0|3,0,0]=4 27 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 SBB057900 [0,0,1,0,0,0|2,0,0]=3 28 B12R1.107 NC(=S)NC(=O)C1=CC=CC=C1 SBB058924 [0,0,1,0,0,0|2,1,0]=4 29 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 SBB032958 [0,0,1,0,0,0|2,0,1]=4 30 B12R1.261 CC(=O)C1=C(C(C)=O)C=CC=C1 SBB008490 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O SBB038601 [0,0,1,0,0,0|2,0,1]=4 32 B12R1.261 CS(=O)C1=CC=CC=C1C(=O)O SBB052751 [0,0,1,0,0,0|2,0,1]=4 33 B12R1.261 NC(=O)C1=C([N+](=O)[O-])C=CC=C1 SBB008239 [0,0,1,0,0,0|1,0,1]=3 34 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)O SBB072166 [0,0,1,0,0,0|1,0,1]=3 35 B12R1.261 NC(=O)C1=CC=CC=C1C(N)=O SBB007536 [0,0,1,0,0,0|2,0,0]=3 36 B12R1.261 NC(=O)C1=NC=CC=C1C(=O)O SBB087972 [0,0,1,0,0,0|2,0,1]=4 37 B12R1.261 O=C(Cl)C1=CC=CC=C1C(=O)Cl SBB060270 [0,0,1,0,0,0|3,0,0]=4 38 B12R1.261 O=C(Cl)C1=CC=CC=C1[N+](=O)[O-] SBB063100 [0,0,1,0,0,0|2,0,1]=4 39 B12R1.261 O=C(O)C1=C(C(=O)O)C=CC=C1 SBB058481 [0,0,1,0,0,0|2,0,1]=4 40 B12R1.261 O=C(O)C1=CC=CC=C1[N+](=O)[O-] SBB058380 [0,0,1,0,0,0|2,0,1]=4 41 B14R2.29496 CC1(C)NC(=O)C2=CC=CC=C2N1 SBB056415 [0,0,0,0,0,1|3,0,0]=4 42 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 SBB058121 [1,0,1,0,0,0|0,0,1]=3 43 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 SBB040933 [1,0,1,0,0,0|1,0,1]=4 44 B11R1.7 NNS(=O)(=O)C1=CC=CC=C1 SBB056738 [1,0,1,0,0,0|1,0,0]=3 45 B11R1.16 CC(NC=O)C1=CC=CC=C1 SBB068791 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.16 CCNC(=O)C1=CC=CC=C1 SBB058216 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.16 O=C=NC(=O)C1=CC=CC=C1 SBB067603 [1,0,1,0,0,0|1,0,1]=4 48 B11R1.53 CNC1=C(C(N)=O)C=CC=C1 SBB017649 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.53 N#CC1=C(C(N)=O)C=CC=C1 SBB007653 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.53 O=CC1=CC=CC=C1C(=O)O SBB040275 [1,0,1,0,0,0|1,0,1]=4 51 B11R1.53 O=CC1=CC=CC=C1[N+](=O)[O-] SBB040201 [1,0,1,0,0,0|1,0,1]=4 52 B11R1.87 CC1=C(S(=O)(=O)Cl)C=CC=C1 SBB046740 [1,0,1,0,0,0|1,0,1]=4 53 B11R1.87 CC1=CC=CC=C1S(N)(=O)=O SBB058537 [1,0,1,0,0,0|0,0,1]=3 54 B11R1.87 CS(=O)(=O)C1=C(F)C=CC=C1 SBB088902 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.87 CS(=O)(=O)C1=C(N)C=CC=C1 SBB093941 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.87 CS(=O)(=O)C1=CC=CC=C1Cl SBB079391 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.87 NC1=C(S(=O)(=O)O)C=CC=C1 SBB061253 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.87 NC1=C(S(N)(=O)=O)C=NC=C1 SBB070178 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.87 NC1=CC=CC=C1S(=O)(=O)[O-] SBB055467 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.87 NC1=CC=CC=C1S(N)(=O)=O SBB071583 [1,0,1,0,0,0|1,0,0]=3 61 B11R1.87 NS(=O)(=O)C1=C(Cl)C=CC=C1 SBB091350 [1,0,1,0,0,0|1,0,0]=3 62 B11R1.87 NS(=O)(=O)C1=C(Cl)C=CN=C1 SBB003615 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.87 NS(=O)(=O)C1=CC=CC=C1Br SBB098516 [1,0,1,0,0,0|1,0,0]=3 64 B11R1.87 NS(=O)(=O)C1=CC=CC=C1F SBB089016 [1,0,1,0,0,0|1,0,0]=3 65 B11R1.87 O=S(=O)(Cl)C1=C(Cl)C=CC=C1 SBB046735 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.87 O=S(=O)(Cl)C1=C(F)C=CC=C1 SBB046738 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.87 O=S(=O)(Cl)C1=CC=CC=C1Br SBB054999 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.87 O=S(=O)(O)C1=CC=CC=C1I SBB055489 [1,0,1,0,0,0|2,0,0]=4 69 B11R2.1 O=C1CCC2=CC=CC=C12 SBB056339 [2,0,0,0,0,0|2,0,0]=4 70 B11R2.1 O=C1COC2=CC=CC=C12 SBB056285 [2,0,0,0,0,0|1,1,0]=4 71 B11R2.1 O=C1NN=C2C=CC=CN12 SBB056407 [2,0,0,0,0,0|2,0,0]=4 72 B11R2.1 O=C1NNC2=C1C=CC=C2 SBB004210 [2,0,0,0,0,0|1,0,0]=3 73 B11R2.1 O=C1NNC2=C1C=CC=N2 SBB085886 [2,0,0,0,0,0|2,0,0]=4 74 B11R2.1 O=C1OCC2=C1C=CC=C2 SBB056840 [2,0,0,0,0,0|2,0,0]=4 75 B13R1.29 CC1=CC=C(S(=O)(=O)N=C=O)C=C1 SBB063168 [0,1,1,0,0,0|0,0,2]=4 76 B13R1.29 CCNS(=O)(=O)C1=CC=C(N)C=C1 SBB019570 [0,1,1,0,0,0|1,0,1]=4 77 B13R1.29 O=C=NS(=O)(=O)C1=CC=C(Cl)C=C1 SBB066585 [0,1,1,0,0,0|0,0,2]=4 78 B13R1.122 O=S(=O)(NCCCl)C1=CC=CC=C1 SBB000594 [0,1,1,0,0,0|1,0,1]=4 79 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 SBB043994 [0,1,1,0,0,0|1,0,0]=3 80 B13R1.347 O=C(O)CS(=O)(=O)C1=CC=CC=C1 SBB040033 [0,1,1,0,0,0|1,0,0]=3 81 B13R1.347 O=[N+]([O-])CS(=O)(=O)C1=CC=CC=C1 SBB003532 [0,1,1,0,0,0|2,0,0]=4 82 B13R1.349 NS(=O)(=O)C1=C(N(=O)=O)C=CC=C1 SBB017531 [0,1,1,0,0,0|1,0,0]=3 83 B13R1.349 NS(=O)(=O)C1=CC=CC=C1C(=O)O SBB052752 [0,1,1,0,0,0|0,0,0]=2 84 B13R1.349 O=C(O)C1=CC=CC=C1S(=O)(=O)O SBB057888 [0,1,1,0,0,0|1,0,0]=3 85 B13R1.349 O=C(O)C1=CC=CC=C1S(=O)(=O)[O-] SBB065023 [0,1,1,0,0,0|1,0,0]=3 86 B13R1.349 O=[N+]([O-])C1=C(S(=O)(=O)Cl)C=CC=C1 SBB058885 [0,1,1,0,0,0|2,0,0]=4 87 B13R1.349 O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)Cl SBB063905 [0,1,1,0,0,0|2,0,0]=4 88 B13R1.349 O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)O SBB068878 [0,1,1,0,0,0|2,0,0]=4 89 B13R1.349 OC(=O)C1=C(S(C)(=O)=O)C=CC=C1 SBB005803 [0,1,1,0,0,0|1,0,0]=3 90 B13R1.3090 COC1=CC=C(F)C=C1S(N)(=O)=O SBB093470 [0,1,1,0,0,0|2,0,0]=4 91 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 SBB047682 [0,1,1,0,0,0|1,0,0]=3 92 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=NC=C1 SBB058969 [0,1,1,0,0,0|2,0,0]=4 93 B13R1.352 CS(=O)(=O)CC(=O)C1=CN=CC=C1 SBB058968 [0,1,1,0,0,0|2,0,0]=4 94 B13R1.352 CS(=O)(=O)CC(=O)C1=NC=CC=C1 SBB058967 [0,1,1,0,0,0|2,0,0]=4 95 B13R1.165 NC(=O)C1=C([N+](=O)[O-])C=CC(Cl)=C1 SBB010015 [0,1,1,0,0,0|1,0,1]=4 96 B13R1.165 O=C(O)C1=C(N(=O)=O)C=CC(Cl)=C1 SBB009922 [0,1,1,0,0,0|2,0,0]=4 97 B13R1.547 N(N)C(=O)C1=C([N+](=O)[O-])C=CC=C1 SBB059493 [0,1,1,0,0,0|1,0,1]=4 98 B13R2.3085 CC1C(=O)C2=CC=CC=C2C1=O SBB087420 [1,1,0,0,0,0|2,0,0]=4 99 B13R2.3085 CN1C(=O)C2=C(C=CC=C2)C1=O SBB087509 [1,1,0,0,0,0|1,0,0]=3 100 B13R2.3085 NN1C(=O)C2=CC=CC=C2C1=O SBB056325 [1,1,0,0,0,0|1,0,0]=3 101 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)N1O SBB009098 [1,1,0,0,0,0|1,0,0]=3 102 B13R2.4857 CC1=CC=CC2=C1C(=O)OC2=O SBB067249 [1,1,0,0,0,0|2,0,0]=4 103 B13R2.4857 NC1=CC=CC2=C1C(=O)NC2=O SBB087586 [1,1,0,0,0,0|1,0,0]=3 104 B13R2.4857 O=C1OC(=O)C2=C(F)C=CC=C12 SBB067076 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2O SBB059273 [1,1,0,0,0,0|2,0,0]=4 106 B13R2.5187 NC1=CC=C2C(=O)NC(=O)C2=C1 SBB001589 [1,1,0,0,0,0|1,0,0]=3 107 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Br)=C2 SBB008534 [1,1,0,0,0,0|2,0,0]=4 108 B13R2.5187 O=C1OC(=O)C2=C1C=CC(F)=C2 SBB059551 [1,1,0,0,0,0|2,0,0]=4 109 B15R2.63892 CC1=C(Cl)C2=C(C=C(Cl)C=C2)S1(=O)=O SBB001520 [0,2,0,0,0,0|2,0,0]=4 110 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 SBB079065 [0,0,1,1,0,0|2,0,0]=4 111 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)N1 SBB087583 [0,0,1,1,0,0|2,0,0]=4 112 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 SBB003929 [0,0,1,1,0,0|1,0,1]=4 113 B13R2.371 O=C1NNC(=O)C2=C1C=CC=C2 SBB066077 [0,0,1,1,0,0|2,0,0]=4 114 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 SBB064017 [0,0,1,0,1,0|2,0,0]=4 115 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 SBB057084 [0,0,1,0,1,0|1,0,1]=4 116 B13R1.45 OC(=O)CNC(=O)C1=CC=CC=C1 SBB003759 [0,0,1,0,0,1|1,0,1]=4 117 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 SBB057962 [0,0,1,0,0,1|2,0,0]=4 118 B13R2.5152 O=C1CNS(=O)(=O)C2=C1SC=C2 SBB018819 [0,0,0,0,1,1|1,0,0]=3