0 B9R1.35 CC(=O)C1=CC=C(Br)S1 A3938 [1,0,0,0,0,0|1,2,0]=4 1 B9R1.35 CC1=CC(C(=O)O)=CN1 M16417 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.35 CC1=CC(C(=O)O)=CN1 M16417 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.35 CC1=NC=C(C(=O)O)S1 M15609 [1,0,0,0,0,0|2,1,0]=4 4 B9R1.35 CC1=NNC(C(=O)O)=C1 M12250 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.35 NC1=NC(C(=O)O)=CS1 A1501 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 B9426 [1,0,0,0,0,0|1,1,0]=3 7 B9R1.35 O=C(O)C1=CC(Br)=CN1 B15071 [1,0,0,0,0,0|1,1,0]=3 8 B9R1.35 O=C(O)C1=CC(Br)=CS1 B18451 [1,0,0,0,0,0|0,2,0]=3 9 B9R1.35 O=C(O)C1=CC=C(Br)O1 B8631 [1,0,0,0,0,0|0,1,0]=2 10 B9R1.35 O=C(O)C1=CC=C(Br)S1 B9313 [1,0,0,0,0,0|0,2,0]=3 11 B9R1.35 O=C(O)C1=CN=C(Br)S1 B14465 [1,0,0,0,0,0|1,2,0]=4 12 B9R1.35 O=C(O)C1=CSC(Br)=N1 B14412 [1,0,0,0,0,0|2,1,0]=4 13 B9R1.35 O=C(O)C1=CSC(I)=N1 I15531 [1,0,0,0,0,0|2,1,0]=4 14 B9R1.35 OB(O)C1=CC=C(Cl)S1 C3847 [1,0,0,0,0,0|1,1,1]=4 15 B9R1.35 [NH3+]C1=NC(C(=O)O)=CS1 A12716 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.48 CC1=C(C=O)NC(C(=O)O)=C1 F15335 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.48 CC1=C(CN)C=C(C(=O)O)O1 A14578 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.21 CC(=O)C1=CC=C(Cl)C(F)=C1 F11485 [0,0,0,0,0,1|2,1,0]=4 19 B11R1.21 CC(=O)C1=CC=C(F)C(Cl)=C1 C7923 [0,0,0,0,0,1|2,1,0]=4 20 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 B1485 [0,0,0,0,0,1|2,1,0]=4 21 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 B9672 [0,0,0,0,0,1|2,1,0]=4 22 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 I2764 [0,0,0,0,0,1|2,1,0]=4 23 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 H0169 [0,0,0,0,0,1|3,0,0]=4 24 B11R1.21 CC1=CC(C(=O)O)=CC=C1N A0463 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.21 CC1=CC=C(C(=O)O)C=C1F F11495 [0,0,0,0,0,1|2,1,0]=4 26 B11R1.21 CC1=CC=C(C(=O)O)C=C1F F11495 [0,0,0,0,0,1|2,1,0]=4 27 B11R1.21 CC1=CC=C(C(=O)O)C=C1N A11350 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.21 NC(=O)C1=CC(N)=C(Cl)C=C1 A3763 [0,0,0,0,0,1|3,0,0]=4 29 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 A0182 [0,0,0,0,0,1|2,0,0]=3 30 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 D3852 [0,0,0,0,0,1|3,0,0]=4 31 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 A18835 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.21 NC1=CC(C(=O)O)=CC=C1F A3775 [0,0,0,0,0,1|2,1,0]=4 33 B11R1.21 NC1=CC(C(=O)O)=CC=C1O A6851 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.21 NC1=CC=C(C(=O)O)C=C1Br A4246 [0,0,0,0,0,1|2,1,0]=4 35 B11R1.21 NC1=CC=C(C(=O)O)C=C1Cl A4245 [0,0,0,0,0,1|2,0,0]=3 36 B11R1.21 NC1=CC=C(C(=O)O)C=C1O A12477 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.21 NC1=CC=C(C(=O)O)C=C1O A12477 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.21 O=C(Cl)C1=CC=C(F)C(Cl)=C1 C4266 [0,0,0,0,0,1|2,1,0]=4 39 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)N=C1 B17454 [0,0,0,0,0,1|1,1,0]=3 40 B11R1.21 O=C(O)C1=CC(Br)=C(O)C=C1 B9779 [0,0,0,0,0,1|2,1,0]=4 41 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)N=C1 D5516 [0,0,0,0,0,1|1,0,0]=2 42 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 F7403 [0,0,0,0,0,1|2,1,0]=4 43 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 D5019 [0,0,0,0,0,1|3,0,0]=4 44 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=C1 C11362 [0,0,0,0,0,1|1,1,0]=3 45 B11R1.21 O=C(O)C1=CC=C(Br)C(F)=C1 B5254 [0,0,0,0,0,1|1,2,0]=4 46 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=C1 B10505 [0,0,0,0,0,1|1,1,0]=3 47 B11R1.21 O=C(O)C1=CC=C(Cl)C(F)=C1 C5199 [0,0,0,0,0,1|1,1,0]=3 48 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=C1 B0692 [0,0,0,0,0,1|1,2,0]=4 49 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 C0249 [0,0,0,0,0,1|1,1,0]=3 50 B11R1.21 O=C(O)C1=CC=C(F)C(F)=C1 D0996 [0,0,0,0,0,1|1,2,0]=4 51 B11R1.21 O=C(O)C1=CC=C(I)C(F)=C1 I6660 [0,0,0,0,0,1|1,2,0]=4 52 B11R1.21 O=C(O)C1=CC=C(O)C(F)=C1 F7401 [0,0,0,0,0,1|2,1,0]=4 53 B11R1.21 O=C(O)C1=CN=C(O)C(Cl)=C1 C7963 [0,0,0,0,0,1|2,0,0]=3 54 B11R1.21 OB(O)C1=CC=C(Cl)C(Cl)=C1 D8629 [0,0,0,0,0,1|2,0,1]=4 55 B11R1.21 OC(=O)C1=CC=C(N)C(F)=C1 A5094 [0,0,0,0,0,1|2,1,0]=4 56 B11R1.74 CC1=CC(C(=O)Cl)=CC(Cl)=N1 C8587 [0,0,0,0,0,1|3,0,0]=4 57 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 D0285 [0,0,0,0,0,1|3,0,0]=4 58 B11R1.74 CC1=CC(O)=CC(C(=O)O)=C1 H19415 [0,0,0,0,0,1|3,0,0]=4 59 B11R1.74 NC(=O)C1=CC(Cl)=CC(Cl)=C1 D8588 [0,0,0,0,0,1|2,0,0]=3 60 B11R1.74 NC1=CC(N)=CC(C(=O)O)=C1 D11348 [0,0,0,0,0,1|3,0,0]=4 61 B11R1.74 NC1=CC(O)=CC(C(=O)O)=C1 A11838 [0,0,0,0,0,1|3,0,0]=4 62 B11R1.74 O=C(Cl)C1=CC(Cl)=CC(Cl)=C1 D9433 [0,0,0,0,0,1|2,0,0]=3 63 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 D1343 [0,0,0,0,0,1|1,2,0]=4 64 B11R1.74 O=C(O)C1=CC(Br)=NC(Br)=C1 D17472 [0,0,0,0,0,1|1,2,0]=4 65 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 D1065 [0,0,0,0,0,1|1,0,0]=2 66 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 D2831 [0,0,0,0,0,1|1,0,0]=2 67 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 D2831 [0,0,0,0,0,1|1,0,0]=2 68 B11R1.74 O=C(O)C1=CC(F)=CC(Br)=C1 B5253 [0,0,0,0,0,1|1,2,0]=4 69 B11R1.74 O=C(O)C1=CC(F)=CC(F)=C1 D0993 [0,0,0,0,0,1|1,2,0]=4 70 B11R1.74 O=C(O)C1=CC(F)=CC(I)=C1 F6669 [0,0,0,0,0,1|1,2,0]=4 71 B11R1.74 O=C(O)C1=CC(I)=CC(I)=C1 D12655 [0,0,0,0,0,1|1,2,0]=4 72 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 D0168 [0,0,0,0,0,1|3,0,0]=4 73 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 O1279 [0,0,0,0,0,1|3,0,0]=4 74 B11R1.74 O=[N+]([O-])C1=CC(Cl)=CC(Cl)=C1 D8662 [0,0,0,0,0,1|2,0,1]=4 75 B11R1.74 OB(O)C1=CC(Cl)=CC(Cl)=C1 D3856 [0,0,0,0,0,1|2,0,1]=4 76 B8R1.1 C(=O)C1=CC(Br)=CS1 B0240 [2,0,0,0,0,0|0,2,0]=4 77 B8R1.1 C(=O)C1=CC=C(C)S1 M5366 [2,0,0,0,0,0|1,1,0]=4 78 B8R1.1 O=CC1=CC(Br)=CO1 B8008 [2,0,0,0,0,0|0,1,0]=3 79 B8R1.1 O=CC1=CC=C(Br)O1 B8007 [2,0,0,0,0,0|0,1,0]=3 80 B8R1.1 O=CC1=CC=C(I)O1 I9961 [2,0,0,0,0,0|0,1,0]=3 81 B8R1.7 CC(=O)C1=CC=CN1 A0582 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.7 CC(=O)C1=CC=CO1 A1473 [2,0,0,0,0,0|1,0,0]=3 83 B8R1.7 CC(=O)C1=CC=CS1 A0583 [2,0,0,0,0,0|1,1,0]=4 84 B8R1.7 N=C(N)C1=CC=CO1 F13113 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.7 O=C(O)C1=CC=CS1 T4980 [2,0,0,0,0,0|0,1,0]=3 86 B8R1.7 O=C(O)C1=CC=CS1 T4980 [2,0,0,0,0,0|0,1,0]=3 87 B8R1.7 O=C(O)C1=CN=CS1 T17631 [2,0,0,0,0,0|1,1,0]=4 88 B8R1.7 O=C(O)C1=CNC=C1 P7298 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.7 O=C(O)C1=CNC=C1 P7298 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.7 O=C(O)C1=CNC=N1 I11557 [2,0,0,0,0,0|2,0,0]=4 91 B8R1.7 O=C(O)C1=CSC=N1 T11462 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.7 O=C(O)C1=NNC=C1 P4441 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.7 OB(O)C1=CC=CO1 F4005 [2,0,0,0,0,0|1,0,1]=4 94 B10R1.14 COC(=O)C1=CC(Br)=CN1 M15180 [1,1,0,0,0,0|1,1,0]=4 95 B10R1.14 COC(=O)C1=CC(O)=NO1 M17092 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.14 NNC(=O)C1=CC=C(Br)O1 B4423 [1,1,0,0,0,0|1,1,0]=4 97 B10R1.14 O=C(CBr)C1=CC=C(Cl)S1 B10632 [1,1,0,0,0,0|1,1,0]=4 98 B10R1.31 N#CC1=CNC(C(=O)O)=C1 C14750 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.31 O=CC1=CC=C(C(=O)O)N1 F15336 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 D15080 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.194 CC1=C(C(=O)O)SC=C1Br B9931 [1,1,0,0,0,0|0,2,0]=4 102 B12R1.56 NNC1=CC(C(=O)O)=CC=C1Cl C14738 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.232 O=C(O)C1=CC(Cl)=C(F)C=C1F D6742 [0,1,0,0,0,1|1,1,0]=4 104 B12R1.232 O=C(O)C1=CC(F)=C(Cl)C=C1Cl D0917 [0,1,0,0,0,1|1,1,0]=4 105 B12R1.232 O=C(O)C1=CC(F)=C(Cl)C=C1F C5196 [0,1,0,0,0,1|1,1,0]=4 106 B12R1.232 O=C(O)C1=CC(F)=C(Cl)N=C1Cl D0562 [0,1,0,0,0,1|1,1,0]=4 107 B12R1.367 COC(=O)C1=CC=C(C)C(Cl)=C1 M12385 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.367 COC(=O)C1=CC=C(Cl)C(N)=C1 A2510 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.367 COC(=O)C1=CC=C(Cl)C(N)=C1 A2510 [0,1,0,0,0,1|2,0,0]=4 110 B12R1.367 COC(=O)C1=CN=C(Cl)C(N)=C1 A15286 [0,1,0,0,0,1|2,0,0]=4 111 B12R1.893 CC(=O)C1=C(Cl)C(Cl)=C(Cl)C=C1 T10046 [0,1,0,0,0,1|2,0,0]=4 112 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(F)C=C1 C8708 [0,1,0,0,0,1|1,1,0]=4 113 B12R1.1005 NC1=C(Cl)C=C(C(=O)O)C=C1Cl A9262 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(Cl)=C1 D9302 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=N1 M17403 [0,1,0,0,0,1|1,0,0]=3 116 B12R1.358 COC(=O)C1=NC(Cl)=NC(C)=C1 M13736 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.358 NNC(=O)C1=CC(Cl)=CC(Cl)=C1 D4415 [0,1,0,0,0,1|2,0,0]=4 118 B12R1.511 CC(=O)C1=C(F)C(Cl)=CC(Cl)=C1 D3854 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.511 CC(=O)C1=CC(Cl)=CC(Cl)=C1O D9232 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.511 CC1=C(N)C(C(=O)O)=CC(Cl)=C1 B6769 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.511 NC1=C(Cl)C=C(Cl)C=C1C(=O)O A0586 [0,1,0,0,0,1|1,0,0]=3 122 B12R1.511 O=C(O)C1=C(O)C(Cl)=CC(Cl)=C1 D1382 [0,1,0,0,0,1|1,0,0]=3 123 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 C3228 [0,0,1,1,0,0|2,0,0]=4 124 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 C7454 [0,0,1,1,0,0|2,0,0]=4 125 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 C12505 [0,0,1,1,0,0|2,0,0]=4 126 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 C12505 [0,0,1,1,0,0|2,0,0]=4 127 B10R1.118 O=C1NC(Cl)=C(Cl)C=C1Cl T5071 [0,0,1,1,0,0|2,0,0]=4 128 B10R1.8 C(=O)C1=CC(Cl)=CC(Cl)=C1 D1081 [1,0,0,0,0,1|1,0,0]=3 129 B10R1.8 O=CC1=CC(Cl)=NC(Cl)=C1 D17471 [1,0,0,0,0,1|1,0,0]=3 130 B12R1.19 NC1=C(Cl)C=CC(CC(=O)O)=C1 A12846 [0,0,0,0,0,2|2,0,0]=4 131 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 D9231 [0,0,0,0,0,2|1,0,0]=3 132 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 C8542 [0,0,0,0,0,2|1,1,0]=4 133 B12R1.19 O=C(O)CC1=CC=C(O)C(Cl)=C1 C2432 [0,0,0,0,0,2|2,0,0]=4