0 B12R1.27 CC(CO)NCC1=CC=CC=C1 B14686 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.27 CCC(=O)CCC1=CC=CC=C1 P7542 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.27 CNC(=S)NCC1=CC=CC=C1 B8222 [0,0,0,0,0,0|2,1,0]=3 3 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B9098 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B7715 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.27 NNC(=S)NCC1=CC=CC=C1 B8255 [0,0,0,0,0,0|3,1,0]=4 6 B11R1.28 CCO\C=N\C1=CC=CC=C1 E19308 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.28 OCCSCC1=CC=CC=C1 B3908 [1,0,0,0,0,0|1,1,1]=4 8 B11R1.91 CC(N)CCC1=CC=CC=C1 M0184 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.91 O=C(O)CCC1=NC=CC=C1 P14084 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.91 O=C(O)CNC1=CC=CC=C1 P17764 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.91 O=C(O)CSC1=CC=CC=C1 T3907 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 S7823 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 A15460 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.11 COC(=O)CC(N)C1=NC=CC=C1 A15332 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.11 COC(=O)C[C@H](N)C1=CC=CN=C1 A17903 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.11 COC(=O)C[C@H](N)C1=CC=CN=C1 M1931 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 M1255 [0,1,0,0,0,0|2,0,0]=3 19 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 M8123 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 M8123 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 M13251 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 P11245 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 E8131 [0,1,0,0,0,0|1,0,0]=2 24 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 P16662 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 B18347 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.135 CNC(=O)C(C)CC1=CC=CC=C1 M13164 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 P0936 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 P0936 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M8214 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.351 CC(O)C(C)NCC1=CC=CC=C1 B16802 [0,1,0,0,0,0|2,0,1]=4 31 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 A6347 [0,1,0,0,0,0|0,0,0]=1 32 B13R1.528 COC(=O)\C=C\C1=CC=CC=C1N M19131 [0,1,0,0,0,0|2,0,1]=4 33 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 P1318 [0,0,0,1,0,0|2,0,0]=3 34 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P5888 [0,0,0,1,0,0|2,0,0]=3 35 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [0,0,0,1,0,0|2,0,0]=3 36 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [0,0,0,1,0,0|2,0,0]=3 37 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 P8185 [0,0,0,1,0,0|2,1,0]=4 38 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 P8825 [0,0,0,1,0,0|2,1,0]=4 39 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 P8186 [0,0,0,1,0,0|2,1,0]=4 40 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P8826 [0,0,0,1,0,0|2,1,0]=4 41 B13R2.33 O=C1C=CC2=CC=CC=C2CN1 D17473 [0,0,0,1,0,0|1,0,2]=4 42 B13R2.33 O=C1CCC2=CC=CC=C2CN1 T17510 [0,0,0,1,0,0|1,0,0]=2 43 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 A2030 [0,0,0,0,1,0|2,0,1]=4 44 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [0,0,0,0,1,0|2,0,1]=4 45 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [0,0,0,0,1,0|2,0,1]=4 46 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C7816 [0,0,0,0,1,0|2,0,0]=3 47 B13R1.718 CC[C@H](O)CNCC1=CC=CC=C1 B16829 [0,0,0,0,0,1|1,0,2]=4 48 B13R1.718 NCC(O)COCC1=CC=CC=C1 A14985 [0,0,0,0,0,1|1,0,2]=4 49 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [2,0,0,0,0,0|1,0,1]=4 50 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [2,0,0,0,0,0|1,0,1]=4 51 B10R1.17 CCCCC1=CC=CN=C1 B11443 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.17 CCCCC1=NC=CC=C1 B11448 [2,0,0,0,0,0|1,0,1]=4 53 B10R1.17 CCCC[N+]1=CC=CC=C1 B7889 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.17 CCCC[N+]1=CC=CC=C1 B9727 [2,0,0,0,0,0|1,0,1]=4 55 B10R1.17 CNCCC1=CC=CC=C1 M12421 [2,0,0,0,0,0|1,0,1]=4 56 B10R1.17 ClCCOC1=CC=CC=C1 C3357 [2,0,0,0,0,0|1,0,1]=4 57 B10R1.17 ClCOCC1=CC=CC=C1 B7431 [2,0,0,0,0,0|1,0,0]=3 58 B10R1.17 NCCOC1=CC=CC=C1 P3356 [2,0,0,0,0,0|1,0,1]=4 59 B10R1.17 OCCOC1=CC=CC=C1 P2904 [2,0,0,0,0,0|1,0,1]=4 60 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B10180 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.1 CCCCCC1=CC=C(O)C=C1 P7653 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.8 CCCCNCC1=CC=CC=C1 B7598 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.8 OCCCNCC1=CC=CC=C1 B7682 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 H0461 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 A17898 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 B10266 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C8385 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F2688 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 H0304 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B7538 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A5988 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O P0823 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 P7705 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H7711 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 P1200 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A12635 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 H14844 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.125 O=C(O)CCC1=CC=CC=C1Br B10264 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.125 O=C(O)CCC1=CC=CC=C1F F2686 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 A1801 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H7709 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B10265 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F2687 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 C1060 [0,1,0,0,1,0|2,0,0]=4 85 B12R1.34 CN(C(=O)CO)C1=CC=CC=C1 H1068 [0,1,0,0,1,0|2,0,0]=4 86 B12R1.34 CNC(=O)C(Br)C1=CC=CC=C1 B18458 [0,1,0,0,1,0|1,0,0]=3 87 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 M7621 [0,1,0,0,1,0|1,0,1]=4 88 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 M8386 [0,1,0,0,1,0|1,0,0]=3 89 B12R1.34 [C@@H](N)(C(=O)OC)C1=CC=CC=C1 P2153 [0,1,0,0,1,0|1,0,0]=3 90 B12R1.49 C=CC(=O)CC1=CC=C(F)C=C1 F15737 [0,1,0,0,1,0|0,0,2]=4 91 B12R1.49 CCC(C)OC1=CC=C(Cl)C=C1 C8394 [0,1,0,0,1,0|1,0,1]=4 92 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 M7638 [0,1,0,0,1,0|1,0,0]=3 93 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 A17809 [0,1,0,0,1,0|1,0,0]=3 94 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M7703 [0,1,0,0,1,0|1,0,0]=3 95 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 C9185 [0,1,0,0,1,0|2,0,0]=4 96 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 C8494 [0,1,0,0,1,0|2,0,0]=4 97 B12R1.50 C=CC(=O)CC1=CC(F)=CC=C1 F15736 [0,1,0,0,1,0|0,0,2]=4 98 B12R1.50 CCC(=O)NC1=CC=CC(N)=C1 A1583 [0,1,0,0,1,0|1,0,0]=3 99 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 M2025 [0,1,0,0,1,0|1,0,0]=3 100 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 M2025 [0,1,0,0,1,0|1,0,0]=3 101 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 B14248 [0,1,0,0,1,0|1,0,0]=3 102 B12R1.50 O=C(CCl)NC1=CC(F)=CC=C1 C8495 [0,1,0,0,1,0|2,0,0]=4 103 B12R1.371 COC(=O)CC1=CC=CC=C1O H15810 [0,1,0,0,1,0|1,0,0]=3 104 B12R1.371 O=C(CBr)NC1=C(Cl)C=CC=C1 C10994 [0,1,0,0,1,0|2,0,0]=4 105 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 B17740 [0,1,0,0,0,1|1,0,0]=3 106 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 B17741 [0,1,0,0,0,1|1,0,0]=3 107 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 O8685 [0,1,0,0,0,1|2,0,0]=4 108 B14R1.10 COC(=O)CC(N)C1=CC=C(Cl)C=C1 A15331 [0,2,0,0,0,0|2,0,0]=4 109 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 A14485 [0,2,0,0,0,0|1,0,0]=3 110 B14R1.29 CCOC(=O)CC(N)C1=CN=CC=C1 A14604 [0,2,0,0,0,0|2,0,0]=4 111 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 T8807 [0,2,0,0,0,0|2,0,0]=4 112 B14R1.502 CCOC(=O)\C=C\C1=CC=C(F)C=C1 F8771 [0,2,0,0,0,0|1,0,1]=4 113 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)C=C1 E8648 [0,2,0,0,0,0|1,0,1]=4 114 B14R1.502 CCOC(=O)\N=C\C1=CC=C(Cl)C=C1 C9524 [0,2,0,0,0,0|1,0,1]=4 115 B14R1.502 CCOC(=O)\N=C\C1=CC=C(F)C=C1 F8804 [0,2,0,0,0,0|1,0,1]=4 116 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(F)=C1 F15738 [0,2,0,0,0,0|1,0,1]=4 117 B14R1.156 N#CCNC(=O)OCC1=CC=CC=C1 C4389 [0,2,0,0,0,0|0,0,1]=3 118 B14R1.1031 COC(=O)C(CN)CC1=CC=CC=C1 A15327 [0,2,0,0,0,0|2,0,0]=4 119 B12R2.2 C1=CC=C(C2CCCN2)C=C1 P12434 [1,0,0,1,0,0|1,0,1]=4 120 B12R2.2 C1=CC=C(C2CCNC2)C=C1 P12433 [1,0,0,1,0,0|2,0,0]=4 121 B12R2.1081 CC1NCCC2=C1C=CC=C2 M19306 [1,0,0,1,0,0|2,0,0]=4 122 B12R2.24 O=C1CC2=CC=CC=C2CN1 D13329 [1,0,0,1,0,0|1,0,0]=3 123 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 O5368 [1,0,0,1,0,0|2,0,0]=4 124 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 O5368 [1,0,0,1,0,0|2,0,0]=4 125 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 M5858 [0,0,0,1,1,0|1,0,0]=3 126 B12R2.18 CN1C(=O)SC2=CC=CC=C21 M18425 [0,0,0,1,1,0|1,1,0]=4 127 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O I12742 [0,0,0,1,1,0|1,0,1]=4 128 B12R2.32 CSC1=NC2=CC=CC=C2O1 M11740 [0,0,0,1,1,0|2,0,0]=4 129 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,0,0,1,0,1|2,0,0]=4 130 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,0,0,1,0,1|2,0,0]=4 131 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,0,0,1,0,1|2,0,0]=4 132 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,0,0,1,0,1|2,0,0]=4 133 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 T8097 [0,0,0,1,0,1|1,0,0]=3 134 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 T8096 [0,0,0,1,0,1|1,0,0]=3 135 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O P1216 [0,1,0,1,0,0|2,0,0]=4 136 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O P1216 [0,1,0,1,0,0|2,0,0]=4 137 B14R2.20 O=C1CCC(C2=CC=C(F)C=C2)O1 F8202 [0,1,0,1,0,0|0,0,0]=2 138 B14R2.5634 O=C1CCC2=CC=C(O)C=C2CN1 H12852 [0,1,0,1,0,0|1,0,0]=3 139 B14R2.101 C1=CC=C(CO[C@H]2CCNC2)C=C1 B18312 [0,1,0,1,0,0|1,0,1]=4 140 B14R2.741 O=C1NCC2=CC=CC=C2CC1F F17491 [0,1,0,1,0,0|1,0,0]=3 141 B14R2.741 O=C1NCC2=CC=CC=C2CC1I I17495 [0,1,0,1,0,0|1,0,0]=3 142 B10R1.18 CC(=O)NC1=NC=CC=C1 A14929 [1,0,0,0,1,0|2,0,0]=4 143 B10R1.18 CN(C)CC1=CC=CC=C1 D18840 [1,0,0,0,1,0|2,0,0]=4 144 B10R1.18 N=C(N)CC1=CC=CC=C1 P13924 [1,0,0,0,1,0|2,0,0]=4 145 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 C7929 [1,0,0,0,1,0|2,0,0]=4 146 B10R1.18 O=C(O)CC1=CC=CN=C1 P3052 [1,0,0,0,1,0|2,0,0]=4 147 B10R1.18 O=C(O)CC1=CC=NC=C1 P7971 [1,0,0,0,1,0|2,0,0]=4 148 B10R1.18 O=C(O)CC1=NC=CC=C1 P7970 [1,0,0,0,1,0|2,0,0]=4 149 B10R1.15 CCC(=O)C1=CC=CC=C1 P18860 [0,0,0,0,2,0|0,0,0]=2 150 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 E6698 [0,0,0,0,2,0|1,0,1]=4 151 B10R1.15 CC[C@H](N)C1=CC=CC=C1 E6699 [0,0,0,0,2,0|1,0,1]=4 152 B10R1.15 COC(=O)C1=CC=CN=C1 M0305 [0,0,0,0,2,0|2,0,0]=4 153 B10R1.15 NCC(=O)C1=CC=CC=C1 A17693 [0,0,0,0,2,0|1,0,0]=3 154 B10R1.15 O=C(CBr)C1=CC=CC=C1 B17692 [0,0,0,0,2,0|1,0,0]=3 155 B10R1.15 O=C(CBr)C1=CC=CN=C1 B18473 [0,0,0,0,2,0|2,0,0]=4