0 B12R1.286 CCCC1=CC(OC)=C(O)C=C1 C15472 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.286 CCOC1=CC(OC)=C(N)C=C1 N14332 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.286 COC1=C(Br)C=CC(CCN)=C1 63216 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.189 CCCC1=CC=CC(OC)=C1 AC9509 [1,0,0,0,0,0|0,0,2]=3 4 B11R1.189 COCC1=CC=CC(OC)=C1 N11528 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.192 CCOC1=CC(F)=C(O)C=C1 94989 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.280 CCC1=C(F)C=CC(C=O)=C1 97122 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.280 CCC1=CC(OC)=C(F)C=C1 57977 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.280 COC1=C(Br)C=CC(C=O)=N1 D70757 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.280 COC1=C(F)C=CC(CN)=C1 CK2401 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.280 COC1=C(I)C=CC(CO)=C1 97841 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.280 COC1=C(S)C=CC(C=O)=C1 AT20890 [1,0,0,0,0,0|1,1,0]=3 12 B11R1.280 COC1=CC=C(O)C(OC)=N1 C16610 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.49 CCC1=C(O)C=CC(C(=O)OC)=C1 71709 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.49 COC(=O)C1=NC(OC)=C(C)C=C1 81832 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.49 COC1=C(C)C=CC(\C(N)=N\O)=C1 93024 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.52 COC1=C(Br)C=CC(CC(=O)O)=C1 98291 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.52 COC1=C(Cl)C=CC(CC(=O)O)=C1 AT23094 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.384 CCOC1=C(O)C=CC(CCN)=C1 I11620 [0,1,0,0,0,0|1,0,2]=4 19 B13R1.386 CCCC1=CC(OC)=C(CO)C=C1 D85803 [0,1,0,0,0,0|0,0,2]=3 20 B13R1.386 COC1=C(OC)C=C(\C=N\O)C=C1 D87902 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.386 COC1=CC(\C=N\O)=CN=C1OC D75058 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.386 COC1=CC=C(\C=N\O)N=C1OC D75061 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.386 COCC1=CC(OC)=C(OC)C=N1 F12450 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.575 COC1=C(C)C=CC(CCCO)=C1 W16773 [0,1,0,0,0,0|1,0,2]=4 25 B13R2.121 COC1=C(Br)C=CC2=C1NN=C2 D79240 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.2461 COC1=C(Cl)C=CC(C2CC2)=C1 AC9857 [0,0,0,1,0,0|1,0,2]=4 27 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [2,0,0,0,0,0|1,0,1]=4 29 B10R1.10 N\N=C\C1=CC=CC(O)=C1 F15561 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.172 C=CC1=CC=CC(OC)=N1 52911 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.172 CNC1=CC=CC(SC)=C1 AT20859 [2,0,0,0,0,0|1,1,0]=4 32 B10R1.172 COC1=NC=CC(SC)=C1 F50801 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.1 N\N=C\C1=CC=C(O)C=C1 F15571 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14330 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.176 CCC1=CC(O)=C(F)C=C1 F30470 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.176 CCC1=CC(O)=C(O)C=C1 70407 [2,0,0,0,0,0|0,0,1]=3 37 B10R1.176 CCC1=NC(C)=C(O)C=C1 76361 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.176 CSC1=CC(C)=C(Br)C=C1 AT14181 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.176 CSC1=CC(C)=C(O)C=C1 AT20904 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.30 CNC1=C(O)C=CC(C)=C1 C16345 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.30 COC1=C(C)C=CC(O)=C1 AT19376 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.30 COC1=C(S)C=CC(N)=C1 D87749 [2,0,0,0,0,0|1,1,0]=4 44 B10R1.30 CSC1=C(N)C=CC(C)=C1 AT20827 [2,0,0,0,0,0|1,1,0]=4 45 B12R1.382 CCNCC1=CC=CC(OC)=C1 F16322 [1,1,0,0,0,0|0,0,2]=4 46 B12R1.382 COC1=CC(C#CCO)=CC=C1 A50685 [1,1,0,0,0,0|0,0,2]=4 47 B12R1.382 COC1=CC=CC(CCC=O)=C1 AC6075 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.435 C=C[C@H](N)C1=CC=CC(OC)=C1 N15286 [1,1,0,0,0,0|0,0,2]=4 49 B12R1.435 C=C[C@H](N)C1=CC=CC(OC)=C1 N15287 [1,1,0,0,0,0|0,0,2]=4 50 B12R1.435 C=C[C@H](N)C1=CC=CC(OC)=C1 N15288 [1,1,0,0,0,0|0,0,2]=4 51 B12R1.435 CCC(=O)C1=CC(OC)=NC=C1 N14282 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 N11148 [1,1,0,0,0,0|0,0,2]=4 53 B12R1.435 CC[C@H](O)C1=CC=CC(OC)=C1 N12603 [1,1,0,0,0,0|0,0,2]=4 54 B12R1.435 COC1=CC(\C(N)=N\O)=CC=C1 71626 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.435 COC1=CC=CC(C(=O)CN)=C1 C78086 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.435 COC1=CC=CC(C(=O)CO)=C1 AC7045 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.435 COC1=CC=CC(\C(Cl)=N\O)=C1 65924 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.438 COC1=CC(CC(=N)N)=CC=C1 F13308 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.438 COC1=CC(C[C@H](C)N)=CC=C1 N10869 [1,1,0,0,0,0|0,0,2]=4 60 B12R1.438 COC1=CC=CC(NC(C)=S)=C1 81291 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.367 COC(=O)C1=NC(C)=C(O)C=C1 E72133 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.367 NCC(=O)C1=CC(O)=C(O)C=C1 A10825 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.56 COC1=C(Br)C=CC(C(=N)N)=C1 56647 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.56 COC1=C(Br)C=CC(C(C)C)=C1 D87066 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.56 COC1=C(O)C=CC([C@H](C)N)=C1 N14804 [1,1,0,0,0,0|0,0,1]=3 66 B12R1.56 COC1=C(O)C=CC([C@H](C)N)=C1 N14805 [1,1,0,0,0,0|0,0,1]=3 67 B12R1.78 C=CC1=CC(OC)=C(C#N)C=N1 S10502 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.78 COC1=C(OC)C=C(CN)C=C1 N14221 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.78 COC1=CC(OC)=C(CS)C=C1 AT13685 [1,1,0,0,0,0|1,1,0]=4 70 B12R1.78 COC1=CC(OC)=C(NN)C=C1 F12477 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.78 COC1=CC(OC)=C(NN)C=C1 F12478 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.78 COC1=CC(OC)=NC=C1CO 97682 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.78 [C-]#[N+]C1=C(OC)C=C(OC)C=C1 AC7983 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.300 COC1=C(F)C(C)=CC(C=O)=C1 97135 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.449 COC1=C(Cl)C=C(O)C(C=O)=C1 AC1919 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.449 COC1=CC(OC)=C(Br)C=C1N S10834 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.453 COC1=CC([C@H](C)N)=C(O)C=C1 N12705 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.453 COC1=CC([C@H](C)N)=C(O)C=C1 N14812 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.654 COC1=C(O)C(OC)=C(Br)C=C1 N12750 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.654 COC1=CC=C(F)C(OC)=C1F F11163 [1,1,0,0,0,0|2,0,0]=4 81 B14R1.41 COC1=C(Cl)C=CC([C@@H](N)C(C)=O)=C1 N16309 [0,2,0,0,0,0|1,0,1]=4 82 B14R1.41 COC1=C(F)C=CC([C@@H](N)C(C)=O)=C1 N16303 [0,2,0,0,0,0|1,0,1]=4 83 B14R1.41 COC1=C(O)C=CC([C@@H](N)C(=O)O)=C1 N12457 [0,2,0,0,0,0|1,0,1]=4 84 B14R1.41 COC1=C(O)C=CC([C@@H](N)C(=O)O)=C1 N14806 [0,2,0,0,0,0|1,0,1]=4 85 B14R1.41 COC1=C(O)C=CC([C@@H](N)C(=O)O)=C1 N14807 [0,2,0,0,0,0|1,0,1]=4 86 B14R1.358 COC(=O)C1=CC(OC)=C(O)C(N)=C1 AC7301 [0,2,0,0,0,0|1,0,0]=3 87 B14R1.1864 COC1=C(OC)C=C(C(=O)CO)C=C1 AC6035 [0,2,0,0,0,0|1,0,1]=4 88 B14R1.2283 COC(=O)C1=C(Br)C=C(C)C(OC)=C1 95531 [0,2,0,0,0,0|2,0,0]=4 89 B14R1.2283 COC(=O)C1=C(F)C=C(C)C(OC)=C1 95533 [0,2,0,0,0,0|2,0,0]=4 90 B14R1.3651 COC1=C(OC)C=C(CC(=N)N)C=C1 C11849 [0,2,0,0,0,0|1,0,1]=4 91 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 61355 [0,2,0,0,0,0|1,0,1]=4 92 B12R2.43 COC1=CC(C2CC2)=CC=C1 AC8808 [1,0,0,1,0,0|0,0,2]=4 93 B12R2.44 COC1=CC2=C(C=CC2)C=C1 A10637 [1,0,0,1,0,0|0,0,2]=4 94 B12R2.315 COC1=C2CCCC2=CC=C1 C15321 [1,0,0,1,0,0|0,0,2]=4 95 B12R2.315 COC1=C2NN=CC2=CC=C1 D78821 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.315 COC1=C2OC=CC2=NC=C1 AC4949 [1,0,0,1,0,0|2,0,0]=4 97 B12R2.315 COC1=CC=CC2=C1N=CS2 76145 [1,0,0,1,0,0|2,0,0]=4 98 B12R2.315 COC1=CC=CC2=CC=NN21 C90959 [1,0,0,1,0,0|2,0,0]=4 99 B12R2.315 CSC1=C2NC=CC2=CC=C1 89387 [1,0,0,1,0,0|1,1,0]=4 100 B12R2.82 OC1=C(F)C2=C(C=CO2)C=C1 AC2179 [1,0,0,1,0,0|2,0,0]=4 101 B12R2.100 CC1=C(O)C=C2C=CNC2=C1 85913 [1,0,0,1,0,0|1,0,1]=4 102 B12R2.100 FC1=C(F)C=C2CC=CC2=C1 F12459 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.100 OC1=C(Cl)C=C2NC=CC2=C1 P11885 [1,0,0,1,0,0|2,0,0]=4 104 B12R2.100 OC1=C(F)C=C2NC=CC2=C1 Y10133 [1,0,0,1,0,0|2,0,0]=4 105 B14R2.2167 COC1=CC2=C(C=C1C)CCC2=O F52793 [0,1,0,1,0,0|1,0,1]=4 106 B14R2.3818 COC1=C(Cl)C=CC2=C1CCC2=O F52776 [0,1,0,1,0,0|1,0,1]=4 107 B14R2.3818 COC1=C(F)C=CC2=C1CCC2=O F52773 [0,1,0,1,0,0|1,0,1]=4 108 B14R2.1008 C[C@H](O)CC1=CC2=C(C=C1)OCO2 W16411 [0,1,0,1,0,0|0,0,2]=4 109 B14R2.1238 COC1=C(OC)C2=C(C=C1)NC=C2 P16936 [0,1,0,1,0,0|1,0,1]=4 110 B14R2.3062 COC1=C(OC)C=C(C2CC2)C=C1 AC8508 [0,1,0,1,0,0|0,0,2]=4 111 B14R2.991 CNCCC1=CC2=C(C=C1)OCO2 AC6162 [0,1,0,1,0,0|0,0,2]=4 112 B14R2.3576 COC1=C(Br)C=C2SC=CC2=C1O 98510 [0,1,0,1,0,0|2,0,0]=4 113 B14R3.3046 C1=CC2=C(OCO2)C3=C1CNC3 56263 [0,0,0,2,0,0|1,0,1]=4 114 B14R3.3015 C1=CC2=C(C=C1C3CC3)OCO2 AC9453 [0,0,0,2,0,0|0,0,2]=4 115 B14R3.3022 C1=CC2=CC3=C(C=C2C1)OCO3 94586 [0,0,0,2,0,0|0,0,0]=2