0 B14R1.623 CCOC(=O)C1=CC=CC=C1B(O)O SY002451 [0,0,0,0,0,0|1,0,1]=2 1 B14R1.623 CCOC(=O)C1=CC=CC=C1C(Br)Br SY244570 [0,0,0,0,0,0|2,0,1]=3 2 B14R1.623 CCOC(=O)C1=CC=CC=C1[N+](=O)[O-] SY247981 [0,0,0,0,0,0|1,0,1]=2 3 B14R1.623 CCOC(=O)C1=NC=CC=C1[N+](=O)[O-] SY014816 [0,0,0,0,0,0|2,0,1]=3 4 B13R1.464 CCOC(=O)C1=C(C#N)C=CC=C1 SY005786 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.464 CCOC(=O)C1=CC=CN=C1NC SY194940 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.547 CNC(=O)C1=CC=CC=C1B(O)O SY031368 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.547 COC(=O)C1=C(C(=O)O)C=CC=C1 SY010760 [1,0,0,0,0,0|0,0,0]=1 8 B13R1.547 COC(=O)C1=CC=CC=C1B(O)O SY002450 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.547 COC(=O)C1=CC=CC=C1C(C)C SY019141 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.547 COC(=O)C1=CC=CC=C1C(F)F SY266020 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.547 COC(=O)C1=CC=CC=C1C(N)=O SY011675 [1,0,0,0,0,0|1,0,0]=2 12 B13R1.547 COC(=O)C1=NC=CC=C1C(=O)O SY034066 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.547 COC(=O)C1=NC=CC=C1C(N)=O SY036019 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.547 COC(=O)C1=NC=CC=C1[N+](=O)[O-] SY013590 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.547 O=C(CO)C1=CC=CC=C1[N+](=O)[O-] SY130979 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.572 CCCOC1=C(C(=O)O)C=CC=C1 SY005091 [1,0,0,0,0,0|2,0,0]=3 17 B15R1.811 CCOC(=O)C1=C(S(C)(=O)=O)N=CC=C1 SY006351 [0,1,0,0,0,0|2,0,1]=4 18 B15R1.811 CCOC(=O)C1=NC=CC=C1S(C)(=O)=O SY011961 [0,1,0,0,0,0|2,0,1]=4 19 B15R1.10569 CCOC(=O)C1=C([N+](=O)[O-])C=C(F)C=C1 SY019385 [0,1,0,0,0,0|1,0,1]=3 20 B15R1.10569 CCOC(=O)C1=CC=C(Cl)C=C1C(C)=O SY257686 [0,1,0,0,0,0|1,0,0]=2 21 B15R1.10602 CCOC(=O)C1=NC=CC(O)=C1[N+](=O)[O-] SY249966 [0,1,0,0,0,0|2,0,1]=4 22 B15R1.10616 CCOC(=O)C1=C([N+](=O)[O-])C=CC=C1F SY015284 [0,1,0,0,0,0|1,0,1]=3 23 B15R2.1221 O=C(O)C1=CC=CC=C1C2=CN=CO2 SY012408 [0,0,0,1,0,0|2,0,1]=4 24 B15R2.1221 O=C(O)C1=CC=CC=C1N2CCCC2 SY003063 [0,0,0,1,0,0|3,0,0]=4 25 B15R2.61345 O=C(O)C1=C2C(=O)CCCC2=CC=C1 SY264601 [0,0,0,1,0,0|1,0,0]=2 26 B15R1.1274 CCOC(=O)CC1=CC=CC=C1[N+](=O)[O-] SY005240 [0,0,0,0,0,1|1,0,1]=3 27 B12R1.77 CNC(=O)C1=C(CO)C=CC=C1 SY022656 [2,0,0,0,0,0|1,0,1]=4 28 B12R1.77 CNC1=CC=CC=C1C(=O)OC SY048962 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 SY012783 [2,0,0,0,0,0|0,0,0]=2 30 B12R1.77 COC(=O)C1=CC=CC=C1C#N SY005784 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.77 COC(=O)C1=CC=CC=C1CBr SY018859 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.77 COC(=O)C1=CC=CC=C1OC SY048778 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.308 CCOC(=N)C1=CC=CC=C1F SY129446 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 SY005168 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 SY003267 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.308 CCOC(=O)C1=C(N)C=CC=N1 SY005551 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 SY007491 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 SY012807 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.308 CCOC(=O)C1=C(O)N=NC=C1 SY006111 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.308 CCOC(=O)C1=CC=CC=C1Br SY004041 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl SY048209 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.308 CCOC(=O)C1=CC=CC=C1I SY037880 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.308 CCOC(=O)C1=CC=CN=C1C SY004406 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.308 CCOC(=O)C1=CC=CN=C1N SY007228 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.308 CCOC(=O)C1=CN=CC=C1Cl SY036078 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.308 CCOC(=O)C1=NC=CC=C1Br SY025917 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.308 CCOC(=O)C1=NC=CC=C1C SY013318 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.308 CCOC(=O)C1=NC=CC=C1Cl SY253689 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.308 CCOC(=O)C1=NC=CC=C1F SY014737 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.308 CCOC(=O)C1=NC=CC=C1O SY047825 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.308 O=C(CCCl)C1=CC=CC=C1O SY046373 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O SY010556 [2,0,0,0,0,0|0,0,0]=2 53 B12R1.261 CC(=O)C1=CC=CC=C1[N+](=O)[O-] SY003270 [2,0,0,0,0,0|1,0,1]=4 54 B12R1.261 CC(C)C1=CC=CC=C1C(=O)O SY019147 [2,0,0,0,0,0|1,0,1]=4 55 B12R1.261 O=C(O)C1=C(C(=O)O)C=NN=C1 SY005769 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.261 O=C(O)C1=C([N+](=O)[O-])C=CC=C1 SY005662 [2,0,0,0,0,0|1,0,1]=4 57 B12R1.261 O=C(O)C1=CC=CC=C1B(O)O SY002442 [2,0,0,0,0,0|1,0,1]=4 58 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O SY003044 [2,0,0,0,0,0|1,0,0]=3 59 B12R1.261 O=C(O)C1=CC=NC=C1C(=O)O SY004289 [2,0,0,0,0,0|1,0,0]=3 60 B12R1.261 O=C(O)C1=NC=CN=C1C(=O)O SY008112 [2,0,0,0,0,0|2,0,0]=4 61 B12R1.283 CCOC1=C(B(O)O)C=CC=C1 SY017780 [2,0,0,0,0,0|1,0,1]=4 62 B12R1.283 CCOC1=CC=CC=C1C(=N)N SY020187 [2,0,0,0,0,0|2,0,0]=4 63 B12R1.283 CCOC1=CC=CC=C1C(=O)O SY003127 [2,0,0,0,0,0|0,0,0]=2 64 B12R1.283 CCOC1=NC=CC=C1C(C)=O SY271473 [2,0,0,0,0,0|2,0,0]=4 65 B12R1.283 NCCC1=CC=CC=C1C(=O)O SY139425 [2,0,0,0,0,0|1,0,1]=4 66 B14R1.263 C=CCC1=CC=CC=C1C(=O)NCC SY236860 [1,1,0,0,0,0|2,0,0]=4 67 B14R1.263 CCOC(=O)C1=CC=CC=C1CCBr SY029956 [1,1,0,0,0,0|1,0,1]=4 68 B14R1.263 CCOC(=O)C1=CC=CC=C1COC SY263235 [1,1,0,0,0,0|0,0,1]=3 69 B14R1.7255 CCOC(=O)C1=CC=CC(Br)=C1CBr SY247866 [1,1,0,0,0,0|1,0,1]=4 70 B14R1.7276 CCOC(=O)C1=C(C)C=CC=C1OC SY043356 [1,1,0,0,0,0|2,0,0]=4 71 B14R1.429 O=C(O)C(=O)C1=CC=CC=C1C(=O)O SY276744 [1,1,0,0,0,0|1,0,1]=4 72 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(Cl)=C1 SY009653 [1,1,0,0,0,0|1,0,1]=4 73 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(F)=C1 SY011925 [1,1,0,0,0,0|1,0,1]=4 74 B14R1.707 COC(=O)C1=CC(Br)=CC=C1[N+](=O)[O-] SY064186 [1,1,0,0,0,0|1,0,1]=4 75 B14R1.707 COC(=O)C1=CC(C)=CC=C1B(O)O SY023846 [1,1,0,0,0,0|1,0,1]=4 76 B14R1.707 COC(=O)C1=CC(C)=CC=C1[N+](=O)[O-] SY006312 [1,1,0,0,0,0|1,0,1]=4 77 B14R1.707 COC(=O)C1=CC(Cl)=CC=C1B(O)O SY238187 [1,1,0,0,0,0|1,0,1]=4 78 B14R1.707 COC(=O)C1=CC(N)=CC=C1[N+](=O)[O-] SY025067 [1,1,0,0,0,0|1,0,1]=4 79 B14R1.745 COC(=O)C1=CC=CC=C1S(=O)(=O)Cl SY061851 [1,1,0,0,0,0|1,0,1]=4 80 B14R1.746 COC(=N)C1=CC=CC=C1C(=O)OC SY028782 [1,1,0,0,0,0|1,0,0]=3 81 B14R1.746 COC(=O)C1=CC=CN=C1C(=O)OC SY014299 [1,1,0,0,0,0|1,0,0]=3 82 B14R1.1126 COC(=O)C1=CC=C(Br)C=C1[N+](=O)[O-] SY010725 [1,1,0,0,0,0|1,0,1]=4 83 B14R1.1126 COC(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-] SY112082 [1,1,0,0,0,0|1,0,1]=4 84 B14R1.1126 COC(=O)C1=CC=C(F)C=C1[N+](=O)[O-] SY019797 [1,1,0,0,0,0|1,0,1]=4 85 B14R1.1153 COC(=O)C1=C(C(=O)O)C(Br)=CC=C1 SY046037 [1,1,0,0,0,0|0,0,0]=2 86 B14R1.1153 COC(=O)C1=C(C(=O)O)C(N)=CC=C1 SY025265 [1,1,0,0,0,0|0,0,0]=2 87 B14R1.1153 COC(=O)C1=C([N+](=O)[O-])C(C)=CC=C1 SY017255 [1,1,0,0,0,0|1,0,1]=4 88 B14R1.1153 COC(=O)C1=CC=CC(F)=C1[N+](=O)[O-] SY011711 [1,1,0,0,0,0|1,0,1]=4 89 B14R1.1153 COC(=O)C1=CC=CC(O)=C1[N+](=O)[O-] SY005032 [1,1,0,0,0,0|1,0,1]=4 90 B14R1.1164 COC(=O)C1=C(N)C=CC=C1C(=O)O SY272573 [1,1,0,0,0,0|0,0,0]=2 91 B14R1.1164 COC(=O)C1=C([N+](=O)[O-])C=CC=C1Br SY118969 [1,1,0,0,0,0|1,0,1]=4 92 B14R1.1164 COC(=O)C1=C([N+](=O)[O-])C=CC=C1C SY044938 [1,1,0,0,0,0|1,0,1]=4 93 B14R1.1164 COC(=O)C1=C([N+](=O)[O-])C=CC=C1N SY003355 [1,1,0,0,0,0|1,0,1]=4 94 B16R1.13671 CCOC(=O)CC1=CC=C(Cl)C=C1[N+](=O)[O-] SY029448 [0,1,0,0,0,1|1,0,1]=4 95 B16R1.70638 CCOC(=O)C1=CC(F)=C(F)C=C1[N+](=O)[O-] SY012357 [0,2,0,0,0,0|1,0,1]=4 96 B14R2.215 O=C1C2=CC=CC=C2C(=O)N1CBr SY008496 [1,0,0,1,0,0|2,0,0]=4 97 B14R2.215 O=C1C2=CC=CC=C2C(=O)N1CCl SY048393 [1,0,0,1,0,0|2,0,0]=4 98 B14R2.7724 CC1=CC(=O)C2=C(C=CC=C2)C1=O SY018303 [1,0,0,1,0,0|1,0,1]=4 99 B14R2.24350 O=C(O)C1=C2B(O)OCC2=CC=C1 SY262573 [1,0,0,1,0,0|1,0,1]=4 100 B14R2.24350 O=C(O)C1=CC=CC2=C1C(=O)NC2 SY235534 [1,0,0,1,0,0|1,0,0]=3 101 B14R2.57380 CC1C(=O)C2=CC=CC=C2S1(=O)=O SY056745 [1,0,0,1,0,0|1,0,1]=4 102 B14R2.4 CN1C=CC2=C1C=CC=C2C(=O)O SY022479 [1,0,0,1,0,0|2,0,0]=4 103 B14R2.31359 O=C(O)C1=C2CCCCC2=CC=C1 SY025659 [1,0,0,1,0,0|1,0,1]=4 104 B14R2.31359 O=C(O)C1=CC=CC2=C1OCCC2 SY065537 [1,0,0,1,0,0|2,0,0]=4 105 B16R2.27521 O=C(O)C1=CC=CC=C1NC(=O)C2CC2 SY014983 [0,0,0,1,0,1|1,0,0]=3 106 B16R2.154585 CCOC(=O)N1C=C(Br)C2=C1C=CC=C2 SY019755 [0,0,0,1,0,1|2,0,0]=4 107 B14R1.617 CCOC(=O)C1=CC(B(O)O)=CC=C1 SY014657 [0,0,0,0,1,1|1,0,1]=4 108 B14R1.617 CCOC(=O)C1=CC=CC(C(C)=O)=C1 SY015674 [0,0,0,0,1,1|1,0,0]=3 109 B16R1.959 CCOC(=O)C1=CC=CC=C1CC[N+](=O)[O-] SY266607 [0,0,0,0,0,2|1,0,1]=4 110 B16R1.4440 CCOC(=O)CCC1=CC=CC=C1[N+](=O)[O-] SY029093 [0,0,0,0,0,2|1,0,1]=4