0 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 C78433 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.125 CC1=C(SCC(=O)O)C=CC=C1 AT20928 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.125 NC1=C(C=CC(=O)O)C=CC=N1 77496 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.125 NC1=C(SCC(=O)O)C=CC=C1 AT20950 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 A50576 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 AT23402 [0,0,0,0,0,0|1,0,1]=2 6 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 77939 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.17 O=CCCC1=C(Br)C=CC=C1 29935 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.91 NC(=O)CSC1=CC=CC=C1 97376 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 O=C([O-])COC1=CC=CC=C1 D91898 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 H10800 [1,0,0,0,0,0|0,0,1]=2 11 B13R1.150 O=C(O)CCC1=CC=CC(Br)=C1Br C16771 [0,1,0,0,0,0|1,0,2]=4 12 B13R1.150 O=C(O)CCC1=CC=CC(F)=C1F S10168 [0,1,0,0,0,0|1,0,2]=4 13 B13R1.164 CC1=C(CCC(=O)O)C=CC(F)=C1 F52898 [0,1,0,0,0,0|1,0,2]=4 14 B13R1.164 CC1=CC(F)=C(CCC(=O)O)C=C1 F52889 [0,1,0,0,0,0|1,0,2]=4 15 B13R1.164 O=C(O)COC1=C(Cl)C=C(Br)C=C1 I11572 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 77762 [0,1,0,0,0,0|1,0,2]=4 17 B13R1.201 N[C@@H](CC(=O)O)C1=C(Br)C=CC=C1 A50489 [0,1,0,0,0,0|1,0,2]=4 18 B13R1.202 O=C(O)C(=O)CC1=C(Cl)C=CC=C1 C91158 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.893 O=C(O)CCC1=C(Br)C=CC(Br)=C1 F52861 [0,1,0,0,0,0|1,0,2]=4 20 B13R1.893 O=C(O)CCC1=C(Br)C=CC(Cl)=C1 F52881 [0,1,0,0,0,0|1,0,2]=4 21 B13R1.893 O=C(O)CCC1=C(Cl)C=CC(F)=C1 F52869 [0,1,0,0,0,0|1,0,2]=4 22 B13R1.893 O=C(O)\C=C\C1=C(Br)C=CC(F)=C1 77769 [0,1,0,0,0,0|1,0,0]=2 23 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 50326 [0,0,0,1,0,0|1,1,0]=3 24 B13R2.435 O=C([O-])C1=NC2=C(C=CC=C2)O1 C14314 [0,0,0,1,0,0|1,0,1]=3 25 B13R2.5179 NC1=C2C=CC(O)=CC2=CC=C1 A51116 [0,0,0,1,0,0|2,0,0]=3 26 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 N12425 [0,0,0,0,1,0|2,0,1]=4 27 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 F13223 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.86 NC(=O)CC1=C(N)C=CC=C1 D78598 [0,0,0,0,1,0|2,0,1]=4 29 B11R1.86 NC(=O)NC1=C(Br)C=CC=C1 H11652 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.86 O=C(Cl)CC1=C(Cl)C=CC=C1 D97686 [0,0,0,0,1,0|2,0,1]=4 31 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 A10511 [0,0,0,0,1,0|2,0,1]=4 32 B13R1.158 NC1=C(CCCC(=O)O)C=CC=C1 F17095 [0,0,0,0,0,1|1,0,2]=4 33 B10R1.4 C=CCC1=C(C)C=CC=C1 D97323 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.4 C=CCC1=C(N)C=CC=C1 D88543 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.4 N\N=C\C1=C(O)C=CC=C1 F15584 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.4 O=CNC1=C(Br)C=CC=C1 W12508 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 57820 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.17 OC\C=C\C1=CN=CC=C1 AC7736 [2,0,0,0,0,0|1,0,1]=4 39 B10R1.17 OC\C=C\C1=NC=CC=C1 31710 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 F20951 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 CL8805 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.21 CC1=CC=C(\C=C\B(O)O)C=C1 C16285 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.21 NC1=CC=C(SCC(=O)O)C=C1 F16048 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 CL8804 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 31261 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 D90832 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.21 O=C(O)CSC1=CC=C(Br)C=C1 AT20944 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(F)C=C1 75206 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.21 OB(O)\C=C\C1=CC=C(F)C=C1 C15315 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.21 OB(O)\C=C\C1=CC=C(F)C=C1 W18836 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.27 COC(=O)\C=C\C1=CN=CN=C1 28128 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O A10414 [1,1,0,0,0,0|0,0,2]=4 53 B12R1.43 C[C@H](SC1=CC=CC=C1)C(=O)O W18223 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 78150 [1,1,0,0,0,0|0,0,0]=2 55 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O N12125 [1,1,0,0,0,0|0,0,2]=4 56 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 29878 [1,1,0,0,0,0|0,0,2]=4 57 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 D77816 [1,1,0,0,0,0|0,0,2]=4 58 B12R1.226 CC(=O)\C=C\C1=CC=CC(Br)=C1 D78766 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 I11536 [1,1,0,0,0,0|0,0,2]=4 60 B12R1.226 O=C(O)CNC1=CC=CC(Br)=C1 CL8803 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.226 O=C(O)CSC1=CC=CC(Br)=C1 AT20947 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(Br)=C1 D85851 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.891 O=S(=O)([O-])\C=C\C1=CC=CC=C1 D92239 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 C12522 [0,1,0,0,1,0|1,0,1]=4 65 B12R1.124 N[C@@H](C(=O)O)C1=C(F)C=CC=C1 N12038 [0,1,0,0,1,0|1,0,1]=4 66 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 N10976 [0,1,0,0,1,0|0,0,1]=3 67 B12R1.127 NC1=CC(CC(=O)O)=C(Br)C=C1 95685 [0,1,0,0,1,0|1,0,1]=4 68 B12R1.233 CC1=CC(Br)=C(CC(=O)O)C=C1 D87833 [0,1,0,0,1,0|1,0,1]=4 69 B12R1.1009 NC1=CC=CC(Br)=C1CC(=O)O D83287 [0,1,0,0,1,0|1,0,1]=4 70 B14R1.482 CCOC1=C(CCC(=O)O)C=CC=C1 F52925 [0,2,0,0,0,0|0,0,2]=4 71 B14R1.840 COC1=C([C@@H](N)CC(=O)O)C=CC=C1 N12357 [0,2,0,0,0,0|0,0,2]=4 72 B14R1.1865 COC1=NC=C(Br)C=C1\C=C\C(=O)O 76956 [0,2,0,0,0,0|1,0,0]=3 73 B14R1.3135 COC1=C(C[C@H](N)C(=O)O)C=CC=C1 N10810 [0,2,0,0,0,0|0,0,2]=4 74 B14R1.3135 COC1=C(C[C@H](N)C(=O)O)C=CC=C1 N12455 [0,2,0,0,0,0|0,0,2]=4 75 B14R1.103 COC1=CC(F)=C(\C=C\C(=O)O)C=C1 71405 [0,2,0,0,0,0|1,0,0]=3 76 B14R1.727 COC(=O)\C=C\C1=C(F)C=C(F)C=C1 D72635 [0,2,0,0,0,0|1,0,0]=3 77 B14R1.598 CCOC(=O)\C=C\C1=C(F)C=CC=N1 D74996 [0,2,0,0,0,0|2,0,0]=4 78 B14R1.598 CCOC(=O)\C=C\C1=CC=CN=C1F D74998 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.232 O=C(O)C1=CC(Br)=C(O)C=C1Br CL9194 [0,0,1,1,0,0|2,0,0]=4 80 B12R1.232 O=C(O)C1=CC(Cl)=C(O)C=C1F 98180 [0,0,1,1,0,0|2,0,0]=4 81 B12R1.258 O=C(O)C1=CC(C(=O)O)=NC=C1 65484 [0,0,1,1,0,0|2,0,0]=4 82 B12R2.24 OC1=NC2=CC=CC=C2N=C1 P50007 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.32 CCC1=CC2=C(C=CC=C2)O1 D97187 [1,0,0,1,0,0|1,0,1]=4 84 B12R2.1081 ClC1=CC=CC2=CC=CC=C12 D89503 [1,0,0,1,0,0|2,0,0]=4 85 B12R2.1081 OC1=C2CC=CCC2=CC=C1 C15471 [1,0,0,1,0,0|1,0,1]=4 86 B14R2.256 NC1=NC(C2=C(O)C=CC=C2)=CS1 91147 [0,0,0,1,0,1|2,0,0]=4 87 B14R2.781 O=C(O)[C@@H]1CNC2=C(C=CC=C2)O1 77316 [0,0,0,1,0,1|0,0,2]=4 88 B14R2.781 O=C([O-])C1=CC2=CC=CC=C2C=C1 D91750 [0,0,0,1,0,1|1,0,1]=4 89 B14R2.781 O=C([O-])C1=NC2=CC=CC=C2C=C1 T71907 [0,0,0,1,0,1|1,0,1]=4 90 B14R2.2 CC(=O)OC1=COC2=C1C=CC=C2 AC8972 [0,1,0,1,0,0|2,0,0]=4 91 B14R2.450 CC(=O)C1=C(C)C2=C(C=CC=C2)O1 SC5132 [0,1,0,1,0,0|1,0,0]=3 92 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 95737 [0,1,0,1,0,0|0,0,0]=2 93 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 25078 [0,1,0,1,0,0|1,0,0]=3 94 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=N2 D82194 [0,1,0,1,0,0|2,0,0]=4 95 B14R2.4529 CC1=CC2=NC(C(=O)O)=CN2C=C1 68919 [0,1,0,1,0,0|2,0,0]=4 96 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 D85343 [0,1,0,1,0,0|0,1,0]=3 97 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Cl)=C2)N1 F14476 [0,1,0,1,0,0|2,0,0]=4 98 B14R2.972 COC(=O)C1=CC2=CC=CN=C2S1 68598 [0,1,0,1,0,0|1,1,0]=4 99 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)S1 D87568 [0,1,0,1,0,0|1,1,0]=4 100 B10R1.66 O=C(O)\C=C/C1=CC=CS1 D86404 [1,0,0,0,1,0|1,0,0]=3 101 B10R1.66 O=C(O)\C=C\C1=CC=CN1 D87751 [1,0,0,0,1,0|1,0,0]=3 102 B10R1.61 NC(=O)C1=NC=CC=C1O D90953 [0,0,0,0,2,0|2,0,0]=4 103 B10R1.61 NC(=S)C1=C(O)C=CC=C1 A10504 [0,0,0,0,2,0|1,1,0]=4 104 B10R1.61 NC1=C(C(=O)O)C=CN=C1 O10944 [0,0,0,0,2,0|2,0,0]=4 105 B10R1.61 NC1=CC=CN=C1C(=O)O O10945 [0,0,0,0,2,0|2,0,0]=4 106 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 I10233 [0,0,0,0,2,0|2,0,0]=4 107 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 CL0204 [0,0,0,0,2,0|2,0,0]=4 108 B10R1.61 O=C(O)C1=C(F)C=CC=N1 AC3521 [0,0,0,0,2,0|2,0,0]=4 109 B10R1.61 O=C(O)C1=CC=CN=C1S F14851 [0,0,0,0,2,0|1,1,0]=4 110 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D91263 [0,0,0,0,2,0|0,0,1]=3 111 B10R1.61 O=C([O-])C1=C([S-])C=CC=C1 H10793 [0,0,0,0,2,0|0,1,1]=4