0 B11R1.53 COC1=C(C(=O)Cl)C=CC=C1 M7841 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] M0442 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.53 COC1=NC=CC=C1C(=O)O M5360 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.53 COC1=NC=CC=C1[N+](=O)[O-] M11572 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.53 O=C(O)C1=CC=CC=C1CBr B0445 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.53 O=C(O)C1=CC=CC=C1CCl C4255 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.20 C(=O)C1=C(OC)C=CC=C1 M12479 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.20 C(=O)C1=CC=CN=C1OC M11436 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.20 CNC1=NC=CC=C1OC M14755 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.20 COC1=CC=CN=C1OC D11616 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.20 CSC1=CC=CC=C1C=O M3900 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.61 CC(=O)C1=C(C)N=CC=N1 A3758 [1,0,0,0,0,0|0,0,0]=1 12 B10R1.61 CC(=O)C1=CC=CC=C1Br B8980 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.61 CC(=O)C1=CC=CC=C1F F0912 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.61 CC(=O)C1=CC=CC=C1N A0266 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.61 CC(=O)C1=CC=CN=C1N A7312 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.61 CC(=O)C1=NC=CC=C1N A12969 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.61 CC1=CC=CC=C1C(=O)Cl M18896 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.61 CC1=CC=CN=C1C(=O)O M17500 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.61 CC1=CC=CN=C1[N+](=O)[O-] N5476 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.61 CC1=NC=CC=C1C(=N)N M16884 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.61 CC1=NC=CC=C1C(=O)O M17501 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] M5475 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] M5475 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.61 NC(=O)C1=NC=CC=C1N A16469 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.61 NC(=O)C1=NC=CC=C1O H17175 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.61 NC1=CC=CN=C1C(=O)O A11570 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.61 NC1=NC=CC=C1C(=O)O A2326 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.61 NC1=NC=CC=C1C(=O)O A2326 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.61 NC1=NC=CN=C1C(=O)O A2119 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 C2477 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 B9109 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 B9110 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.61 O=C(O)C1=CC=CN=C1Cl C4998 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.61 O=C(O)C1=CC=CN=C1F F11719 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.61 O=C(O)C1=CC=CN=C1O H2508 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.61 O=C(O)C1=CC=CN=C1S M5419 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.61 O=C(O)C1=NC=CC=C1Cl C17308 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.61 O=C(O)C1=NC=CC=C1O H5458 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.61 O=C(O)C1=NC=CN=C1Cl C12255 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.61 O=C(O)C1=NC=CN=C1O H7209 [1,0,0,0,0,0|2,0,0]=3 41 B12R1.46 COC1=C(C(C)=O)C=C(Br)C=C1 B10268 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.46 COC1=C(C(C)=O)C=C(Cl)C=C1 C16138 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.77 CCC(C)C1=NC=CN=C1OC M0881 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.77 CNC1=CC=CC=C1C(=O)OC D16570 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.77 COC(=O)C1=C(CO)C=CC=C1 H14915 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.77 COC(=O)C1=CC=CC=C1CBr M4485 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.77 COC(=O)C1=CC=CC=C1CBr M4485 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.77 COC(=O)C1=CC=CC=C1CN C9100 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.261 CC(=O)C1=C(C(=O)O)C=CC=N1 A7668 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.261 O=C(O)C1=NC=CN=C1C(=O)O P0068 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.283 CCOC1=C(C(=O)O)C=CC=C1 E7704 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 E7636 [0,1,0,0,0,0|2,0,0]=3 53 B12R1.283 CCOC1=CC=CC=C1C(=O)Cl E4438 [0,1,0,0,0,0|3,0,0]=4 54 B12R2.1081 NC1CCCC2=NC=CC=C21 A13327 [0,0,0,1,0,0|2,0,1]=4 55 B12R2.1081 O=C1CCCC2=C1C=CC=N2 T13200 [0,0,0,1,0,0|1,0,0]=2 56 B12R2.1081 O=C1CCCC2=C1C=CN=C2 D19323 [0,0,0,1,0,0|3,0,0]=4 57 B12R2.1081 O=C1CCCC2=C1N=CC=C2 D11093 [0,0,0,1,0,0|1,0,0]=2 58 B12R2.1081 OC1CCCC2=NC=CC=C21 H13328 [0,0,0,1,0,0|1,0,2]=4 59 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 M7633 [0,0,0,0,0,1|3,0,0]=4 60 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 M7633 [0,0,0,0,0,1|3,0,0]=4 61 B12R1.75 COC1=NC=CN=C1CC(C)C M0880 [0,0,0,0,0,1|2,0,1]=4 62 B9R1.15 C(=O)C1=CC=CC=C1C T4218 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.15 C(=O)C1=CC=CN=C1Br B11429 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.15 C(=O)C1=CC=CN=C1Cl C11431 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.15 C(=O)C1=CC=CN=C1N A2849 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.15 C=CC1=NC=CN=C1C M13359 [2,0,0,0,0,0|0,0,1]=3 67 B9R1.15 CC1=CC=CN=C1C=O M12711 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.15 CC1=CC=CN=C1CN A13472 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.15 CC1=CC=CN=C1CO H13471 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.15 CCC1=NC=CN=C1Cl C3829 [2,0,0,0,0,0|1,0,0]=3 71 B9R1.15 COC1=NC=CN=C1C M1133 [2,0,0,0,0,0|1,0,0]=3 72 B9R1.15 COC1=NC=CN=C1Cl C3838 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.15 CSC1=NC=CN=C1C M0882 [2,0,0,0,0,0|1,0,0]=3 74 B9R1.15 O=CC1=CC=CN=C1F F17481 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.15 O=CC1=NC=CC=C1O H16738 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.15 [NH3+]C1=C(C=O)C=CC=N1 A12904 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.6 CC(=O)C1=CN=CC=C1 P2763 [2,0,0,0,0,0|1,0,0]=3 78 B9R1.6 CC(=O)C1=CN=CC=N1 A0581 [2,0,0,0,0,0|0,0,0]=2 79 B9R1.6 CC(=O)C1=NC=CC=C1 A1164 [2,0,0,0,0,0|1,0,0]=3 80 B9R1.6 N=C(N)C1=NC=CN=C1 P13907 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.6 NC(=O)C1=NC=CN=C1 P1326 [2,0,0,0,0,0|1,0,0]=3 82 B9R1.6 O=C(Cl)C1=CN=CC=N1 P12749 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.6 O=C(O)C1=CC=CN=C1 N0837 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.6 O=C(O)C1=CC=CN=C1 N0837 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.6 O=C(O)C1=NC=CC=C1 P0843 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.6 O=C(O)C1=NC=CC=C1 P0843 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.6 O=C(O)C1=NC=CN=C1 P4976 [2,0,0,0,0,0|1,0,0]=3 88 B11R1.37 COC1=NC=C(Br)C=C1C=O B13723 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.222 CNC(=O)C1=CC=CN=C1Cl C15616 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 M12951 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.222 COC(=O)C1=C(N)N=CC=C1 A14460 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.222 COC(=O)C1=C(N)N=CC=N1 M4035 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.222 COC(=O)C1=C(N)N=CC=N1 M4035 [1,1,0,0,0,0|1,0,0]=3 94 B11R1.222 COC(=O)C1=C(O)N=CC=N1 M13407 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.222 COC(=O)C1=CC=CC=C1C P3622 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.471 CCN1N=CC(Br)=C1C(=O)O B9859 [0,1,0,0,1,0|2,0,0]=4 97 B13R1.382 CCOC1=C(C(=O)OC)C=CC=C1 M8211 [0,2,0,0,0,0|2,0,0]=4 98 B11R2.1 O=C1CCC2=CC=CC=C12 I4017 [1,0,0,1,0,0|2,0,0]=4 99 B11R2.20 C1=CN=C2CCCCC2=C1 C11016 [1,0,0,1,0,0|1,0,1]=4 100 B11R2.20 C1=CN=C2CCCCC2=C1 C11016 [1,0,0,1,0,0|1,0,1]=4 101 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T7513 [0,0,0,1,0,1|2,0,0]=4 102 B13R2.162 NC1=CC2=C(C=C1)CCCC2=O A18080 [0,1,0,1,0,0|2,0,0]=4 103 B13R2.5179 O=C1C=CC2=C(CCCC2=O)N1 H13269 [0,1,0,1,0,0|1,0,1]=4 104 B13R2.5252 O=C1CCCNC2=CC=CC=C12 T14406 [0,1,0,1,0,0|2,0,0]=4 105 B13R2.5252 O=C1CCCNC2=CC=CC=C12 T14406 [0,1,0,1,0,0|2,0,0]=4 106 B13R2.342 O=C1CCCC2=C1C=CC=C2O H3535 [0,1,0,1,0,0|2,0,0]=4 107 B13R2.342 O=C1CCCC2=C1C=CC=C2O H3535 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.4818 NC1=CC=CC2=C1C(=O)CCC2 A18190 [0,1,0,1,0,0|2,0,0]=4 109 B13R2.4818 O=C1CCCC2=C1C(O)=CC=C2 H19103 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.41 CC1=C(C(=O)O)SC=C1 M0715 [1,0,0,0,1,0|2,0,0]=4 111 B9R1.41 CC1=C(C(=O)O)SC=N1 M15610 [1,0,0,0,1,0|2,0,0]=4 112 B9R1.41 CN1N=CC=C1C(=O)O M17588 [1,0,0,0,1,0|2,0,0]=4