0 B13R1.386 COc1ccc(cc1OC)CC#N A12003 [0,0,0,0,0,0|1,0,1]=2 1 B13R1.386 COc1ccc(cc1OC)CCO H26941 [0,0,0,0,0,0|1,0,1]=2 2 B13R1.386 COc1ccc(cc1OC)N=C=S B21415 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.78 COc1ccc(c(c1)OC)OC A10483 [1,0,0,0,0,0|1,0,1]=3 4 B12R1.78 COc1ccc(cc1OC)C#N A12521 [1,0,0,0,0,0|1,0,1]=3 5 B12R1.78 COc1ccc(cc1OC)C=O A11110 [1,0,0,0,0,0|1,0,0]=2 6 B12R1.78 COc1ccc(cc1OC)CN B25033 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.78 COc1ccc(cc1OC)CO A13396 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.286 COc1cc(ccc1O)CC=C A14332 [1,0,0,0,0,0|0,0,0]=1 9 B12R1.286 COc1cc(ccc1O)\C=N\O L19667 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.286 C\C=C\c1ccc(c(c1)OC)O B24541 [1,0,0,0,0,0|0,0,2]=3 11 B12R1.288 COc1ccc(cc1Br)CC#N L09840 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.288 COc1ccc(cc1Br)CCN L19874 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.288 COc1ccc(cc1F)CC#N H26117 [1,0,0,0,0,0|2,0,1]=4 14 B14R1.1864 COc1ccc(cc1OC)C(=O)C=O L20279 [0,1,0,0,0,0|1,0,1]=3 15 B14R1.1864 COc1ccc(cc1OC)C(=O)NN A10404 [0,1,0,0,0,0|2,0,1]=4 16 B14R1.1864 COc1ccc(cc1OC)C(=O)OC B23568 [0,1,0,0,0,0|1,0,2]=4 17 B14R1.1864 COc1ccc(cc1OC)\C(=N\O)\N H52203 [0,1,0,0,0,0|2,0,1]=4 18 B14R1.3651 CC(=O)Cc1ccc(c(c1)OC)OC L05477 [0,1,0,0,0,0|0,0,1]=2 19 B14R1.3651 COc1ccc(cc1OC)CC(=O)O B20625 [0,1,0,0,0,0|1,0,0]=2 20 B14R2.82 COc1cc2c(cc1OC)nc[nH]2 H25942 [0,0,0,1,0,0|2,0,0]=3 21 B14R2.82 COc1cc2cc[nH]c2cc1OC B21126 [0,0,0,1,0,0|1,0,0]=2 22 B11R1.37 COc1ccc(cc1OC)Br A11133 [2,0,0,0,0,0|1,0,0]=3 23 B11R1.37 COc1ccc(cc1OC)F A17936 [2,0,0,0,0,0|1,0,0]=3 24 B11R1.37 COc1ccc(cc1OC)N A13548 [2,0,0,0,0,0|1,0,0]=3 25 B11R1.37 COc1ccc(cc1OC)O A11344 [2,0,0,0,0,0|1,0,0]=3 26 B11R1.37 COc1ccc(cc1OC)S A14745 [2,0,0,0,0,0|1,0,0]=3 27 B11R1.37 COc1ccc(cc1OC)[Mg+] H54654 [2,0,0,0,0,0|1,0,0]=3 28 B11R1.37 Cc1ccc(c(c1)OC)OC A15558 [2,0,0,0,0,0|0,0,0]=2 29 B11R1.279 COc1ccc(cc1Br)C=O A15274 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.279 COc1ccc(cc1Br)CO H32395 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.279 COc1ccc(cc1Cl)C=O H50447 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.279 COc1ccc(cc1Cl)CN H63806 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.279 COc1ccc(cc1F)C=O B23827 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.279 COc1ccc(cc1F)CBr H26116 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.279 COc1ccc(cc1F)CCl H31756 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.279 COc1ccc(cc1F)CN H26607 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.279 COc1ccc(cc1F)CO H32350 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.279 COc1ccc(cc1I)C=O H66222 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.279 COc1ccc(cc1O)C=O A12866 [2,0,0,0,0,0|1,0,0]=3 40 B11R1.279 COc1ccc(cc1O)CO A14786 [2,0,0,0,0,0|1,0,0]=3 41 B11R1.279 Cc1cc(ccc1OC)C=O H64207 [2,0,0,0,0,0|1,0,0]=3 42 B11R1.279 Cc1cc(ccc1OC)CO H50344 [2,0,0,0,0,0|1,0,0]=3 43 B11R1.279 Cc1cc(ccc1OC)OC B21631 [2,0,0,0,0,0|1,0,1]=4 44 B11R1.280 CCc1ccc(c(c1)OC)O A14239 [2,0,0,0,0,0|0,0,1]=3 45 B11R1.280 COc1cc(ccc1F)C=O L19671 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.280 COc1cc(ccc1F)CO H31897 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.280 COc1cc(ccc1O)C#N A18056 [2,0,0,0,0,0|1,0,1]=4 48 B11R1.280 COc1cc(ccc1O)C=C A13194 [2,0,0,0,0,0|0,0,0]=2 49 B11R1.280 COc1cc(ccc1O)C=O A11169 [2,0,0,0,0,0|1,0,0]=3 50 B11R1.280 COc1cc(ccc1O)CN B20637 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.280 COc1cc(ccc1O)CO A15160 [2,0,0,0,0,0|1,0,0]=3 52 B11R1.189 CNCc1cccc(c1)OC H54970 [2,0,0,0,0,0|1,0,1]=4 53 B11R1.189 COc1cccc(c1)CC#N A14317 [2,0,0,0,0,0|1,0,1]=4 54 B11R1.189 COc1cccc(c1)CCN H64494 [2,0,0,0,0,0|1,0,1]=4 55 B11R1.192 c1cc(c(cc1CCN)O)O A11136 [2,0,0,0,0,0|1,0,1]=4 56 B11R1.83 CNCc1ccc(cc1)OC H55776 [2,0,0,0,0,0|1,0,1]=4 57 B11R1.83 COc1ccc(cc1)CC#N A15056 [2,0,0,0,0,0|1,0,1]=4 58 B11R1.83 COc1ccc(cc1)CC=C B23311 [2,0,0,0,0,0|0,0,0]=2 59 B11R1.83 COc1ccc(cc1)CCO L06158 [2,0,0,0,0,0|1,0,1]=4 60 B11R1.83 COc1ccc(cc1)CC[Mg+] H54945 [2,0,0,0,0,0|1,0,1]=4 61 B11R1.83 COc1ccc(cc1)CON H63312 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.83 C\C=C\c1ccc(cc1)OC A13482 [2,0,0,0,0,0|0,0,2]=4 63 B13R1.355 CCOc1cc(ccc1OC)C=O B24762 [1,1,0,0,0,0|1,0,0]=3 64 B13R1.434 COc1cc(cc(c1OC)Br)C#N H50611 [1,1,0,0,0,0|1,0,1]=4 65 B13R1.434 COc1cc(cc(c1OC)I)C=O L17452 [1,1,0,0,0,0|1,0,0]=3 66 B13R1.1249 CCOc1ccc(cc1OC)C=O A10897 [1,1,0,0,0,0|1,0,0]=3 67 B13R1.1249 CCOc1ccc(cc1OC)CO H50343 [1,1,0,0,0,0|1,0,0]=3 68 B13R1.2200 COc1cc(c(cc1OC)Br)C#N H50618 [1,1,0,0,0,0|1,0,1]=4 69 B13R1.2200 COc1cc(c(cc1OC)Br)C=O A13591 [1,1,0,0,0,0|1,0,0]=3 70 B13R1.2200 COc1cc(c(cc1OC)F)C=O B21202 [1,1,0,0,0,0|1,0,0]=3 71 B13R1.2200 COc1cc(c(cc1OC)N)C#N L09545 [1,1,0,0,0,0|1,0,1]=4 72 B13R1.2422 COc1ccc(c(c1OC)Cl)C#N B20402 [1,1,0,0,0,0|1,0,1]=4 73 B13R1.2422 COc1ccc(c(c1OC)Cl)C=O A10623 [1,1,0,0,0,0|1,0,0]=3 74 B13R1.2422 COc1ccc(c(c1OC)Cl)CO B20688 [1,1,0,0,0,0|1,0,0]=3 75 B13R1.3091 B(c1ccc(c(c1)OC)OC)(O)O B24240 [1,1,0,0,0,0|2,0,0]=4 76 B13R1.3091 CC(=O)c1ccc(c(c1)OC)OC L02737 [1,1,0,0,0,0|0,0,1]=3 77 B13R1.3091 COc1ccc(cc1OC)C(=O)O A10167 [1,1,0,0,0,0|1,0,0]=3 78 B13R1.3091 COc1ccc(cc1OC)C(=S)N H51854 [1,1,0,0,0,0|1,0,0]=3 79 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] A18264 [1,1,0,0,0,0|2,0,0]=4 80 B13R1.3091 C[C@H](c1ccc(c(c1)OC)OC)N H27484 [1,1,0,0,0,0|0,0,1]=3 81 B13R1.52 CC(=O)Cc1ccc(c(c1)OC)O A19728 [1,1,0,0,0,0|0,0,1]=3 82 B13R1.52 COc1cc(ccc1O)CC(=O)O A12441 [1,1,0,0,0,0|1,0,0]=3 83 B13R1.575 COc1cc(ccc1O)\C=C\CO B24949 [1,1,0,0,0,0|0,0,2]=4 84 B15R1.815 CNCC(c1ccc(c(c1)OC)OC)O H50797 [0,2,0,0,0,0|0,0,2]=4 85 B15R1.1195 COc1ccc(cc1OC)CCN=C=S L11817 [0,2,0,0,0,0|0,0,2]=4 86 B15R1.3769 COc1ccc(cc1OC)CC(=O)NN A11049 [0,2,0,0,0,0|1,0,0]=3 87 B15R1.3769 COc1ccc(cc1OC)C\C(=N\O)\N H66816 [0,2,0,0,0,0|1,0,0]=3 88 B15R1.12854 CC(=O)\C=C\c1ccc(c(c1)OC)OC L01121 [0,2,0,0,0,0|0,0,1]=3 89 B15R1.12854 COc1ccc(cc1OC)CCC(=O)O A14325 [0,2,0,0,0,0|0,0,1]=3 90 B15R1.12854 COc1ccc(cc1OC)SCC(=O)O B20569 [0,2,0,0,0,0|1,0,0]=3 91 B15R1.12854 COc1ccc(cc1OC)\C=C\C(=O)O A10356 [0,2,0,0,0,0|0,0,1]=3 92 B15R1.12854 COc1ccc(cc1OC)\C=C\[N+](=O)[O-] B25139 [0,2,0,0,0,0|1,0,1]=4 93 B15R1.3705 CNCc1cc(c(c(c1)OC)OC)OC B20996 [0,2,0,0,0,0|1,0,1]=4 94 B15R1.3705 COc1cc(cc(c1OC)OC)CC#N B24247 [0,2,0,0,0,0|1,0,1]=4 95 B13R2.57 c1cc2c(cc1C=O)OCCO2 A18696 [1,0,0,1,0,0|1,0,0]=3 96 B13R2.449 c1cc2c(cc1CC#N)OCO2 L09518 [1,0,0,1,0,0|1,0,1]=4 97 B13R2.449 c1cc2c(cc1CCN)OCO2 H60208 [1,0,0,1,0,0|1,0,1]=4 98 B13R2.449 c1cc2c(cc1CCN)OCO2 H63009 [1,0,0,1,0,0|1,0,1]=4 99 B13R2.449 c1cc2c(cc1CCN)OCO2 H66445 [1,0,0,1,0,0|1,0,1]=4 100 B15R2.117 COc1cc2c(cc1OC)C=NCC2 H64018 [0,1,0,1,0,0|0,0,1]=3 101 B15R2.117 COc1cc2c(cc1OC)C=NCC2 H64130 [0,1,0,1,0,0|0,0,1]=3 102 B15R2.117 COc1cc2c(cc1OC)CNCC2 B22469 [0,1,0,1,0,0|0,0,2]=4 103 B15R2.117 COc1cc2ccccc2cc1OC H55523 [0,1,0,1,0,0|0,0,1]=3 104 B15R2.21574 COc1cc2c(cc1OC)C(=O)CC2 B25559 [0,1,0,1,0,0|0,0,1]=3 105 B13R1.358 COc1cc(cc(c1)OC)CC#N L11443 [0,0,0,0,1,1|1,0,1]=4