0 B13R1.589 CC(=O)C1=C(C=CC=C1)OC(F)F Z55671925 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.589 CC(=O)CC1=C(C=CC=C1)[N+](=O)[O-] Z329711592 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.589 CC(=O)NC1=C(C=CN=C1)C(=O)O Z1198154202 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.589 CC(=O)NC1=C(N=CC=C1)C(=O)O Z1255368060 [0,0,0,0,0,0|2,0,0]=2 4 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)C Z28255481 [0,0,0,0,0,0|1,0,0]=1 5 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)O Z104474430 [0,0,0,0,0,0|0,0,0]=0 6 B13R1.589 CC(C)CC1=C(C=CC=C1)C(=O)O Z1171157982 [0,0,0,0,0,0|2,0,1]=3 7 B13R1.589 CC(C)NC1=C(C=CC=C1)C(=O)O Z111833802 [0,0,0,0,0,0|2,0,1]=3 8 B13R1.589 CC(C)NC1=C(C=CC=N1)C(=O)O Z71176798 [0,0,0,0,0,0|3,0,1]=4 9 B13R1.589 CC(C)OC1=C(C=CC=C1)C(=O)O Z227714380 [0,0,0,0,0,0|1,0,1]=2 10 B13R1.589 CC(C)OC1=C(C=CC=C1)C(=S)N Z295385428 [0,0,0,0,0,0|2,1,1]=4 11 B13R1.589 CC(C)OC1=C(C=CC=N1)C(=O)O Z285179440 [0,0,0,0,0,0|2,0,1]=3 12 B13R1.589 CC(C)OC1=C(C=CN=C1)C(=O)O Z1450951933 [0,0,0,0,0,0|2,0,1]=3 13 B13R1.589 CC(C)OC1=C(N=CC=C1)C(=O)O Z808643224 [0,0,0,0,0,0|2,0,1]=3 14 B13R1.589 CC(C)SC1=C(C=CC=C1)C(=O)O Z147642722 [0,0,0,0,0,0|1,1,1]=3 15 B13R1.589 CC(C)SC1=C(C=CC=N1)C(=O)O Z425485058 [0,0,0,0,0,0|2,1,1]=4 16 B13R1.589 CN(C)CC1=C(C=CC=C1)C(=O)O Z763367814 [0,0,0,0,0,0|3,0,0]=3 17 B13R1.589 CS(=O)C1=C(C=CC=C1)CC(=O)O Z1262518784 [0,0,0,0,0,0|4,0,0]=4 18 B13R1.589 NC(=O)C1=C(C=CC=C1)OC(F)F Z68591371 [0,0,0,0,0,0|3,0,1]=4 19 B13R1.589 NC(=O)CC1=C(C=CC=C1)[N+](=O)[O-] Z33546960 [0,0,0,0,0,0|3,0,1]=4 20 B13R1.589 NC(=O)NC1=C(C=CC=C1)C(=O)O Z239135034 [0,0,0,0,0,0|2,0,0]=2 21 B13R1.589 NC(=O)NC1=C(C=CC=C1)[N+](=O)[O-] Z166687108 [0,0,0,0,0,0|3,0,1]=4 22 B13R1.589 O=C(O)C1=C(C=CC=C1)OC(F)F Z56946844 [0,0,0,0,0,0|2,0,1]=3 23 B13R1.589 O=C(O)C1=C(C=CC=C1)SC(F)F Z57046945 [0,0,0,0,0,0|2,1,1]=4 24 B13R1.589 O=C(O)CC1=C(C=CC=C1)C(=O)O Z104474214 [0,0,0,0,0,0|2,0,0]=2 25 B13R1.589 O=C(O)CC1=C(C=CC=C1)[N+](=O)[O-] Z57270339 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.75 CC(=O)NC1=C(C=CC=C1)C#N Z26489157 [1,0,0,0,0,0|2,0,1]=4 27 B12R1.75 CC(=O)NC1=C(C=CC=C1)C=O Z1143235775 [1,0,0,0,0,0|1,0,0]=2 28 B12R1.75 CC(C)CC1=C(C=CC=C1)C=O Z1171158400 [1,0,0,0,0,0|2,0,1]=4 29 B12R1.75 CC(C)NC1=C(C=CC=C1)C=O Z1262562821 [1,0,0,0,0,0|2,0,1]=4 30 B12R1.75 CC(C)OC1=C(C=CC=C1)C=O Z53833344 [1,0,0,0,0,0|1,0,1]=3 31 B12R1.75 COC1=C(C=CC=C1)NC(=O)C Z27797377 [1,0,0,0,0,0|3,0,0]=4 32 B12R1.75 CSC1=C(C=CC=C1)CC(=O)C Z1641983304 [1,0,0,0,0,0|3,0,0]=4 33 B12R1.75 CSC1=C(C=CC=C1)NC(=O)C Z26434950 [1,0,0,0,0,0|3,0,0]=4 34 B12R1.75 O=C([O-])CC1=C(C=CC=C1)CO Z1762997367 [1,0,0,0,0,0|2,0,1]=4 35 B12R1.75 O=CC1=C(C=CC=C1)OC(F)F Z55671896 [1,0,0,0,0,0|2,0,1]=4 36 B12R1.283 CCCC1=C(C=CC=C1)C(=O)O Z1255462246 [1,0,0,0,0,0|1,0,1]=3 37 B12R1.283 CCNC1=C(N=CC=C1)C(=O)O Z2768134920 [1,0,0,0,0,0|2,0,1]=4 38 B12R1.283 CCOC1=C(C=CC=C1)B(O)O Z336079908 [1,0,0,0,0,0|1,0,2]=4 39 B12R1.283 CCOC1=C(C=CC=C1)C(=O)C Z54530097 [1,0,0,0,0,0|1,0,1]=3 40 B12R1.283 CCOC1=C(C=CC=C1)C(=O)N Z54953371 [1,0,0,0,0,0|1,0,1]=3 41 B12R1.283 CCOC1=C(C=CC=C1)C(=O)O Z104478128 [1,0,0,0,0,0|0,0,1]=2 42 B12R1.283 CCOC1=C(C=CC=C1)C(=S)N Z295385328 [1,0,0,0,0,0|1,1,1]=4 43 B12R1.283 CCOC1=C(C=CC=C1)C(C)O Z228586324 [1,0,0,0,0,0|1,0,2]=4 44 B12R1.283 CCOC1=C(C=CC=C1)[C@@H](C)O Z360055958 [1,0,0,0,0,0|1,0,2]=4 45 B12R1.283 CCOC1=C(C=CC=C1)[C@H](C)O Z360055954 [1,0,0,0,0,0|1,0,2]=4 46 B12R1.283 CCOC1=C(C=CC=N1)C(=O)N Z272156568 [1,0,0,0,0,0|2,0,1]=4 47 B12R1.283 CCOC1=C(C=CC=N1)C(=O)O Z104495504 [1,0,0,0,0,0|1,0,1]=3 48 B12R1.283 CCOC1=C(N=CC=C1)C(=O)O Z808643270 [1,0,0,0,0,0|1,0,1]=3 49 B12R1.283 CCSC1=C(C=CC=C1)C(=O)C Z332382328 [1,0,0,0,0,0|1,1,1]=4 50 B12R1.283 CCSC1=C(C=CN=C1)C(=O)O Z1262517373 [1,0,0,0,0,0|1,1,1]=4 51 B12R1.283 CCSC1=C(N=CC=C1)C(=O)O Z1262530511 [1,0,0,0,0,0|1,1,1]=4 52 B12R1.283 COCC1=C(C=CC=C1)C(=O)N Z365255872 [1,0,0,0,0,0|3,0,0]=4 53 B12R1.283 COCC1=C(C=CC=C1)C(=O)O Z359517772 [1,0,0,0,0,0|2,0,0]=3 54 B12R1.283 COCC1=C(N=CC=C1)C(=O)O Z4742339690 [1,0,0,0,0,0|3,0,0]=4 55 B12R1.283 CSCC1=C(N=CC=C1)C(=O)O Z1080732160 [1,0,0,0,0,0|3,0,0]=4 56 B12R1.283 N#CCC1=C(C=CC=C1)C(=O)O Z56946849 [1,0,0,0,0,0|2,0,1]=4 57 B12R1.283 NCCC1=C(C=CC=C1)C(=O)O Z1431905053 [1,0,0,0,0,0|2,0,1]=4 58 B12R1.283 O=CNC1=C(C=CC=C1)[N+](=O)[O-] Z1255360640 [1,0,0,0,0,0|2,0,1]=4 59 B14R1.164 CC(=O)NC1=C(C=CC(=C1)Br)C(=O)O Z607862306 [0,1,0,0,0,0|1,0,0]=2 60 B14R1.164 CC(=O)NC1=C(C=CC(=C1)Cl)C(=O)O Z85915745 [0,1,0,0,0,0|1,0,0]=2 61 B14R1.164 CC(=O)NC1=C(C=CC(=C1)F)C(=O)O Z133263888 [0,1,0,0,0,0|1,0,0]=2 62 B14R1.164 CC(=O)OC1=C(C=CC(=C1)C)C(=O)O Z1251413637 [0,1,0,0,0,0|0,0,0]=1 63 B14R1.164 CC(C)OC1=C(C=CC(=C1)Br)C(=O)O Z405053906 [0,1,0,0,0,0|1,0,1]=3 64 B14R1.164 CC(C)OC1=C(C=CC(=C1)N)C(=O)N Z1188349501 [0,1,0,0,0,0|2,0,1]=4 65 B14R1.164 NC(=O)NC1=C(C=CC(=C1)Cl)C(=O)O Z239134770 [0,1,0,0,0,0|2,0,0]=3 66 B14R1.164 O=C(O)C1=C(C=C(C=C1)F)OC(F)F Z1269193495 [0,1,0,0,0,0|2,0,1]=4 67 B14R1.164 O=C(O)CC1=C(C=CC(=C1)Br)C(=O)O Z1258932136 [0,1,0,0,0,0|2,0,0]=3 68 B14R1.429 CC(=O)N(C)C1=C(C=CC=C1)C(=O)O Z220639108 [0,1,0,0,0,0|1,0,0]=2 69 B14R1.429 CC(C)N(C)C1=C(C=CC=C1)C(=O)O Z335441284 [0,1,0,0,0,0|2,0,1]=4 70 B14R1.744 CNC(=O)C1=C(C=CC=C1)NC(=O)C Z99498865 [0,1,0,0,0,0|2,0,0]=3 71 B14R1.744 COC(=O)C1=C(C=CC=C1)CC(=O)O Z1262511329 [0,1,0,0,0,0|2,0,0]=3 72 B14R1.3302 C=CC(=O)NC1=C(C=CC=C1)C(=O)O Z316089774 [0,1,0,0,0,0|1,0,1]=3 73 B14R1.3302 CC(=O)C1=C(C=CC=C1)NC(=O)CCl Z56886527 [0,1,0,0,0,0|2,0,0]=3 74 B14R1.3302 CCC(=O)NC1=C(C=CC=C1)C(=O)O Z85878916 [0,1,0,0,0,0|1,0,0]=2 75 B14R1.3302 CCC(=O)NC1=C(C=CC=C1)C(C)O Z425786438 [0,1,0,0,0,0|2,0,1]=4 76 B14R1.3302 CCC(C)OC1=C(C=CC=C1)C(=O)O Z336337244 [0,1,0,0,0,0|1,0,1]=3 77 B14R1.3302 COC(=O)CC1=C(C=CC=C1)C(=O)O Z1198154414 [0,1,0,0,0,0|1,0,0]=2 78 B14R1.3302 COC(=O)NC1=C(C=CC=C1)C(=O)O Z192948536 [0,1,0,0,0,0|1,0,0]=2 79 B14R1.3302 NC(=O)C1=C(C=CC=C1)NC(=O)CCl Z56862614 [0,1,0,0,0,0|2,0,0]=3 80 B14R1.3302 NCC(=O)NC1=C(C=CC=C1)[N+](=O)[O-] Z46280342 [0,1,0,0,0,0|2,0,1]=4 81 B14R1.3302 O=C(CCl)NC1=C(C=CC=C1)C(=O)O Z56891406 [0,1,0,0,0,0|1,0,0]=2 82 B14R1.3302 O=C(CCl)NC1=C(C=CC=C1)[N+](=O)[O-] Z56822452 [0,1,0,0,0,0|2,0,1]=4 83 B14R1.4894 CC(=O)NC1=C(C=CC=C1C)C(=O)O Z221300464 [0,1,0,0,0,0|1,0,0]=2 84 B14R1.4894 CC(=O)NC1=C(C=CC=C1Cl)C(=O)O Z916919184 [0,1,0,0,0,0|1,0,0]=2 85 B14R1.4894 CC(C)OC1=C(C=CC=C1N)C(=O)O Z1983079557 [0,1,0,0,0,0|1,0,1]=3 86 B14R1.4894 O=C(O)CC1=C(C=CC=C1Cl)C(=O)O Z1269110325 [0,1,0,0,0,0|2,0,0]=3 87 B14R1.4926 CC(=O)NC1=C(C(=CC=C1)F)C(=O)O Z424765890 [0,1,0,0,0,0|1,0,0]=2 88 B14R1.4926 NC(=O)NC1=C(C(=CC=C1)F)C(=O)O Z424767664 [0,1,0,0,0,0|2,0,0]=3 89 B14R1.6074 CC(=O)NC1=C(C=C(C=C1)Br)[N+](=O)[O-] Z87001616 [0,1,0,0,0,0|2,0,1]=4 90 B14R1.6074 CC(=O)OC1=C(C=C(C=C1)C)C(=O)O Z415652776 [0,1,0,0,0,0|0,0,0]=1 91 B14R1.6074 CC(=O)OC1=C(C=C(C=C1)Cl)C(=O)O Z991517134 [0,1,0,0,0,0|0,0,0]=1 92 B14R1.6074 CC(=O)OC1=C(C=C(C=C1)Cl)C(F)F Z3409471175 [0,1,0,0,0,0|2,0,1]=4 93 B14R1.6074 CC(C)NC1=C(C=C(C=C1)I)C(=O)O Z1341390257 [0,1,0,0,0,0|2,0,1]=4 94 B14R1.6074 CC(C)OC1=C(C=C(C=C1)Cl)C(=O)O Z381396120 [0,1,0,0,0,0|1,0,1]=3 95 B14R1.6074 CC(C)OC1=C(C=C(C=C1)N)C(=O)N Z802837136 [0,1,0,0,0,0|2,0,1]=4 96 B14R1.6074 NC(=O)NC1=C(C=C(C=C1)Br)C(=O)O Z927386356 [0,1,0,0,0,0|2,0,0]=3 97 B14R1.6074 NC1=CC(=C(C=C1)OC(F)F)C(=O)O Z1259273256 [0,1,0,0,0,0|2,0,1]=4 98 B14R1.6074 O=C(O)C1=C(C=CC(=C1)Br)OC(F)F Z275128654 [0,1,0,0,0,0|2,0,1]=4 99 B14R1.6074 O=C(O)C1=C(C=CC(=C1)Cl)OC(F)F Z381395864 [0,1,0,0,0,0|2,0,1]=4 100 B14R1.6312 CC(C)(C)CC1=C(C=CC=C1)C(=O)O Z1198218374 [0,1,0,0,0,0|2,0,1]=4 101 B14R1.6312 CS(=O)(=O)CC1=C(C=CC=C1)C(=O)O Z732206740 [0,1,0,0,0,0|2,0,0]=3 102 B14R1.6312 CS(=O)(=O)NC1=C(C=CC=C1)C(=O)N Z33545935 [0,1,0,0,0,0|3,0,0]=4 103 B14R1.6312 CS(=O)(=O)NC1=C(C=CC=C1)C(=O)O Z53825030 [0,1,0,0,0,0|2,0,0]=3 104 B14R2.287 O=C1CCC(=O)C2=C(N1)C=CC=C2 Z1198159646 [0,0,0,1,0,0|2,0,0]=3 105 B14R2.287 O=C1CCC(=O)C2=C(N1)C=CC=N2 Z1198225166 [0,0,0,1,0,0|3,0,0]=4 106 B14R2.287 O=C1CNC(=O)C2=C(N1)C=CC=C2 Z57234677 [0,0,0,1,0,0|2,0,0]=3 107 B14R2.712 CC1=CC2=C(N1)C=CC=C2C(=O)O Z1255404341 [0,0,0,1,0,0|2,0,0]=3 108 B14R2.712 CC1=CN2C=CC=C(C2=N1)C(=O)O Z4613664847 [0,0,0,1,0,0|3,0,0]=4 109 B14R2.712 CC1=NC2=C(N1)C(=CN=C2)C(=O)O Z2453101915 [0,0,0,1,0,0|3,0,0]=4 110 B14R2.712 CC1=NC2=C(N1)C=CC=C2C(=O)O Z1079086994 [0,0,0,1,0,0|2,0,0]=3 111 B14R2.712 CC1=NC2=C(O1)C=CC=C2C(=O)O Z1262514370 [0,0,0,1,0,0|1,0,1]=3 112 B14R2.712 CC1=NN2C(=CC=CC2=N1)C(=O)O Z1262560079 [0,0,0,1,0,0|3,0,0]=4 113 B14R2.712 CC1CC2=C(O1)C(=CC=C2)C(=O)O Z1198723557 [0,0,0,1,0,0|1,0,1]=3 114 B14R2.712 CN1C=C2C(=CC=CC2=N1)C(=O)O Z1255366832 [0,0,0,1,0,0|3,0,0]=4 115 B14R2.712 CN1N=C2C=CC=C(C2=N1)C(=O)O Z1262561716 [0,0,0,1,0,0|3,0,0]=4 116 B14R2.712 NC1=NC2=C(O1)C(=CC=C2)C(=O)O Z3243595564 [0,0,0,1,0,0|2,0,0]=3 117 B14R2.712 NC1=NC2=C(O1)C=CC=C2C(=O)O Z1862023152 [0,0,0,1,0,0|2,0,1]=4 118 B14R2.712 O=C(O)C1=C2OC(=NC2=CC=C1)S Z1255391993 [0,0,0,1,0,0|1,1,0]=3 119 B14R2.712 O=C1CC2=C(C=CC=C2N1)C(=O)O Z1198272458 [0,0,0,1,0,0|2,0,0]=3 120 B14R2.712 O=C1CC2=CC=CC(=C2O1)C(=O)O Z1262521063 [0,0,0,1,0,0|0,0,0]=1 121 B14R2.712 O=C1NC2=C(C=CC=C2O1)C(=O)O Z1198315026 [0,0,0,1,0,0|2,0,0]=3 122 B14R2.712 O=C1NC2=CC=CC(=C2N1)C(=O)O Z2168541831 [0,0,0,1,0,0|2,0,0]=3 123 B14R2.712 O=C1NC2=CC=CC(=C2O1)C(=O)O Z1262521113 [0,0,0,1,0,0|1,0,0]=2 124 B14R2.9513 O=C(O)C1=C(C=CC=C1)OC2CC2 Z1255375233 [0,0,0,1,0,0|1,0,1]=3 125 B14R2.25733 O=C1CC(C2=C1C=CC=C2)C(=O)O Z1079167836 [0,0,0,1,0,0|3,0,0]=4 126 B14R2.25733 O=C1NC(C2=C1C=CC=C2)C(=O)O Z1255419749 [0,0,0,1,0,0|3,0,0]=4 127 B14R2.25733 O=C1OC(C2=C1C=CC=C2)C(=O)O Z1198161402 [0,0,0,1,0,0|2,0,0]=3 128 B14R2.29496 CC1(CC(=O)C2=C(O1)C=CC=C2)C Z1201624073 [0,0,0,1,0,0|2,0,1]=4 129 B14R2.29496 CC1(NC(=O)C2=C(O1)C=CC=C2)C Z57183305 [0,0,0,1,0,0|2,0,1]=4 130 B12R1.261 CC(=O)C1=C(C=CC=C1)C(=O)O Z57158791 [0,0,0,0,1,0|0,0,0]=1 131 B12R1.261 CC(C)C1=C(C=CC=C1)C(=O)O Z1171157998 [0,0,0,0,1,0|1,0,1]=3 132 B12R1.261 CN(C)C1=C(C=CC=N1)C(=O)O Z425449676 [0,0,0,0,1,0|3,0,0]=4 133 B12R1.261 CN(C)C1=C(C=CN=C1)C(=O)O Z4439096301 [0,0,0,0,1,0|3,0,0]=4 134 B12R1.261 CN(C)C1=C(C=NC=C1)C(=O)O Z1262546351 [0,0,0,0,1,0|3,0,0]=4 135 B12R1.261 CN(C)C1=C(N=CC=C1)C(=O)O Z2256216232 [0,0,0,0,1,0|3,0,0]=4 136 B12R1.261 N=C(N)C1=C(C=CC=C1)C(=O)O Z3242292796 [0,0,0,0,1,0|2,0,0]=3 137 B12R1.261 NC(=O)C1=C(C=CC=C1)C(=O)N Z104476290 [0,0,0,0,1,0|2,0,0]=3 138 B12R1.261 NC(=O)C1=C(C=CC=N1)C(=O)O Z1142648247 [0,0,0,0,1,0|2,0,0]=3 139 B12R1.261 NC(=O)C1=C(N=CC=N1)C(=O)O Z104493654 [0,0,0,0,1,0|3,0,0]=4 140 B12R1.261 O=C(O)C1=C(C=CC=C1)B(O)O Z1201620947 [0,0,0,0,1,0|2,0,1]=4 141 B12R1.261 O=C(O)C1=C(C=CC=C1)C(=O)O Z57127456 [0,0,0,0,1,0|1,0,0]=2 142 B12R1.261 O=C(O)C1=C(C=CC=C1)[N+](=O)[O-] Z57160141 [0,0,0,0,1,0|2,0,0]=3 143 B12R1.261 O=C(O)C1=C(C=NC=C1)C(=O)O Z1123696308 [0,0,0,0,1,0|2,0,0]=3 144 B12R1.261 O=C(O)C1=C(C=NN=C1)C(=O)O Z1201623771 [0,0,0,0,1,0|3,0,0]=4 145 B12R1.261 O=C(O)C1=C(N=CC=C1)C(=O)O Z57160166 [0,0,0,0,1,0|2,0,0]=3 146 B12R1.261 O=C(O)C1=C(N=CC=N1)C(=O)O Z104492896 [0,0,0,0,1,0|3,0,0]=4 147 B12R1.392 NC(=O)CC1=C(C=CO1)C(=O)O Z1986594369 [0,0,0,0,1,0|3,0,0]=4 148 B12R1.392 O=C(O)CC1=C(C=CO1)C(=O)O Z316122156 [0,0,0,0,1,0|3,0,0]=4 149 B12R1.392 O=C(O)CC1=CSC=C1C(=O)O Z1262560659 [0,0,0,0,1,0|3,0,0]=4 150 B14R1.814 CC(=O)NC1=C(C=CC=C1)CC(=O)O Z992494004 [0,0,0,0,0,1|1,0,0]=2 151 B14R1.814 CC(=O)NC1=C(C=CC=C1)NC(=O)C Z104474294 [0,0,0,0,0,1|2,0,0]=3 152 B14R1.814 CC(C)OC1=C(C=CC=C1)CC(=O)O Z968693528 [0,0,0,0,0,1|1,0,1]=3 153 B14R1.814 CC(C)OC1=C(C=CC=C1)NC(=O)N Z434627988 [0,0,0,0,0,1|2,0,1]=4 154 B14R1.814 NC(=O)CC1=C(C=CC=C1)CC(=O)O Z1262518652 [0,0,0,0,0,1|2,0,0]=3 155 B14R1.814 O=C(O)CC1=C(C=CC=C1)OC(F)F Z362118728 [0,0,0,0,0,1|2,0,1]=4 156 B14R1.4522 C=C(Br)COC1=C(C=CC=C1)C(=O)N Z784937476 [0,0,0,0,0,1|2,0,1]=4 157 B14R1.4522 CC(=O)C1=C(C=CC=C1)OCC(=O)O Z336079640 [0,0,0,0,0,1|2,0,0]=3 158 B14R1.4522 CC(=O)CSC1=C(C=CC=C1)C(=O)O Z57028528 [0,0,0,0,0,1|0,1,0]=2 159 B14R1.4522 CC(C)CNC1=C(C=CC=C1)C(=O)O Z111833848 [0,0,0,0,0,1|2,0,1]=4 160 B14R1.4522 CC(C)COC1=C(C=CC=C1)C(=O)N Z54420065 [0,0,0,0,0,1|2,0,1]=4 161 B14R1.4522 CC(C)COC1=C(C=CC=C1)C(=O)O Z118459080 [0,0,0,0,0,1|1,0,1]=3 162 B14R1.4522 CC(C)COC1=C(C=CC=N1)C(=O)O Z285179308 [0,0,0,0,0,1|2,0,1]=4 163 B14R1.4522 CN(C)/N=N/C1=C(C=CC=C1)C(=O)O Z55928822 [0,0,0,0,0,1|3,0,0]=4 164 B14R1.4522 CN(C)CCC1=C(C=CC=C1)C(=O)O Z1688198420 [0,0,0,0,0,1|3,0,0]=4 165 B14R1.4522 NC(=O)C1=C(C=CC=C1)CCC(=O)O Z1262536383 [0,0,0,0,0,1|3,0,0]=4 166 B14R1.4522 NC(=O)C1=C(C=CC=C1)OCC(=O)O Z56807191 [0,0,0,0,0,1|2,0,0]=3 167 B14R1.4522 NC(=O)CNC1=C(C=CC=C1)C(=O)N Z232511850 [0,0,0,0,0,1|3,0,0]=4 168 B14R1.4522 NC(=O)COC1=C(C=CC=C1)C(=O)O Z57085648 [0,0,0,0,0,1|1,0,0]=2 169 B14R1.4522 NC(=O)COC1=C(C=CC=C1)[N+](=O)[O-] Z19741885 [0,0,0,0,0,1|2,0,1]=4 170 B14R1.4522 NC(=O)COC1=C(N=CC=C1)C(=O)O Z808643236 [0,0,0,0,0,1|2,0,0]=3 171 B14R1.4522 NC(=O)CSC1=C(C=CC=C1)C(=O)O Z55950608 [0,0,0,0,0,1|1,1,0]=3 172 B14R1.4522 O=C(O)COC1=C(C=CC=C1)[N+](=O)[O-] Z56824600 [0,0,0,0,0,1|2,0,1]=4 173 B14R1.4522 O=C(O)CSC1=C(C=CC=C1)C(=O)O Z149170932 [0,0,0,0,0,1|1,1,0]=3 174 B14R1.4522 O=C(O)CSC1=C(C=CC=N1)C(=O)O Z71176921 [0,0,0,0,0,1|2,1,0]=4 175 B11R1.41 C=CCC1=C(C=CC=C1)C=O Z1511741429 [2,0,0,0,0,0|1,0,1]=4 176 B11R1.41 CCNC1=C(C=CC=C1)C=O Z1203746444 [2,0,0,0,0,0|1,0,1]=4 177 B11R1.41 CCOC1=C(C=CC=C1)C=O Z53833343 [2,0,0,0,0,0|0,0,1]=3 178 B11R1.41 COCC1=C(C=CC=C1)C=O Z1266890219 [2,0,0,0,0,0|2,0,0]=4 179 B11R1.86 CC(=O)CC1=C(C=CC=C1)C Z329711570 [2,0,0,0,0,0|1,0,1]=4 180 B11R1.86 CC(=O)CC1=C(C=CC=C1)Cl Z329711556 [2,0,0,0,0,0|2,0,0]=4 181 B11R1.86 CC(=O)CC1=C(C=CC=C1)I Z1335657335 [2,0,0,0,0,0|2,0,0]=4 182 B11R1.86 CC(=O)CC1=C(C=CC=C1)O Z1198152110 [2,0,0,0,0,0|1,0,0]=3 183 B11R1.86 CC(=O)CN1C=CC=CC1=O Z1881599491 [2,0,0,0,0,0|2,0,0]=4 184 B11R1.86 CC(=O)NC1=C(C=CC=C1)N Z239120544 [2,0,0,0,0,0|2,0,0]=4 185 B11R1.86 CC(=O)NC1=C(C=CC=C1)O Z57040482 [2,0,0,0,0,0|1,0,0]=3 186 B11R1.86 CC(=O)OC1=C(C=CC=C1)O Z1513803522 [2,0,0,0,0,0|0,0,0]=2 187 B11R1.86 NC(=O)CC1=C(C=CC=C1)O Z1255356155 [2,0,0,0,0,0|2,0,0]=4 188 B11R1.86 O=C(O)CC1=C(C=CC=C1)O Z608061328 [2,0,0,0,0,0|2,0,0]=4 189 B11R1.53 CC(=O)C1=C(C=CC=C1)C=O Z1255489619 [2,0,0,0,0,0|1,0,0]=3 190 B11R1.53 CCC1=C(C=CC=C1)C(=O)N Z1203580417 [2,0,0,0,0,0|1,0,1]=4 191 B11R1.53 CCC1=C(C=CC=C1)C(=O)O Z979777146 [2,0,0,0,0,0|0,0,1]=3 192 B11R1.53 CCC1=C(C=CC=N1)C(=O)O Z5499572051 [2,0,0,0,0,0|1,0,1]=4 193 B11R1.53 CCC1=C(C=CN=C1)C(=O)O Z1551475975 [2,0,0,0,0,0|1,0,1]=4 194 B11R1.53 CCC1=C(N=CC=C1)C(=O)O Z1558209672 [2,0,0,0,0,0|1,0,1]=4 195 B11R1.53 CNC1=C(C=CC=C1)C(=O)N Z56947598 [2,0,0,0,0,0|2,0,0]=4 196 B11R1.53 CNC1=C(C=CC=C1)C(=O)O Z56941087 [2,0,0,0,0,0|1,0,0]=3 197 B11R1.53 CNC1=C(C=CC=N1)C(=O)O Z71177490 [2,0,0,0,0,0|2,0,0]=4 198 B11R1.53 CNC1=C(C=CN=C1)C(=O)O Z1473282233 [2,0,0,0,0,0|2,0,0]=4 199 B11R1.53 COC1=C(C=CC=C1)B(O)O Z381513020 [2,0,0,0,0,0|1,0,1]=4 200 B11R1.53 COC1=C(C=CC=C1)C(=O)N Z33546468 [2,0,0,0,0,0|1,0,0]=3 201 B11R1.53 COC1=C(C=CC=C1)C(=O)O Z57127524 [2,0,0,0,0,0|0,0,0]=2 202 B11R1.53 COC1=C(C=CC=C1)C(=S)N Z56979367 [2,0,0,0,0,0|1,1,0]=4 203 B11R1.53 COC1=C(C=CC=C1)[C@@H](C)O Z360055200 [2,0,0,0,0,0|1,0,1]=4 204 B11R1.53 COC1=C(C=CC=C1)[C@H](C)O Z360055194 [2,0,0,0,0,0|1,0,1]=4 205 B11R1.53 COC1=C(C=CC=C1)[N+](=O)[O-] Z31131392 [2,0,0,0,0,0|1,0,1]=4 206 B11R1.53 COC1=C(C=CC=N1)C(=O)N Z300502574 [2,0,0,0,0,0|2,0,0]=4 207 B11R1.53 COC1=C(C=CC=N1)C(=O)O Z71179597 [2,0,0,0,0,0|1,0,0]=3 208 B11R1.53 COC1=C(C=CN=C1)C(=O)O Z1198172204 [2,0,0,0,0,0|1,0,0]=3 209 B11R1.53 COC1=C(C=NC=C1)C(=O)O Z1198164403 [2,0,0,0,0,0|1,0,0]=3 210 B11R1.53 COC1=C(N=CC=C1)C(=O)O Z808643216 [2,0,0,0,0,0|1,0,0]=3 211 B11R1.53 CSC1=C(C=CC=C1)C(=O)C Z732207820 [2,0,0,0,0,0|1,1,0]=4 212 B11R1.53 CSC1=C(C=CC=C1)C(=O)O Z56921447 [2,0,0,0,0,0|0,1,0]=3 213 B11R1.53 CSC1=C(C=CC=N1)C(=O)O Z104479350 [2,0,0,0,0,0|1,1,0]=4 214 B11R1.53 CSC1=C(N=CC=C1)C(=O)O Z1262521288 [2,0,0,0,0,0|1,1,0]=4 215 B11R1.53 NC(=O)C1=C(C=CC=C1)C=O Z1068032864 [2,0,0,0,0,0|1,0,0]=3 216 B11R1.53 NNC1=C(C=CC=C1)C(=O)O Z56827064 [2,0,0,0,0,0|2,0,0]=4 217 B11R1.53 O=C(O)C1=C(C=CC=C1)CO Z425446262 [2,0,0,0,0,0|0,0,2]=4 218 B11R1.53 O=CC1=C(C=CC=C1)B(O)O Z415628158 [2,0,0,0,0,0|1,0,1]=4 219 B11R1.53 O=CC1=C(C=CC=C1)C(=O)O Z104478340 [2,0,0,0,0,0|0,0,0]=2 220 B11R1.53 O=CC1=C(C=CC=C1)[N+](=O)[O-] Z57162107 [2,0,0,0,0,0|1,0,1]=4 221 B11R1.53 O=CC1=C(C=CC=N1)C(=O)O Z2935743683 [2,0,0,0,0,0|1,0,0]=3 222 B11R1.53 O=CC1=C(N=CC=C1)C(=O)O Z1198311039 [2,0,0,0,0,0|1,0,0]=3 223 B13R1.51 CC(C)OC1=C(C=C(C=C1)Br)C=O Z53834336 [1,1,0,0,0,0|1,0,1]=4 224 B13R1.51 CC(C)OC1=C(C=C(C=C1)Cl)C=O Z274774408 [1,1,0,0,0,0|1,0,1]=4 225 B13R1.51 CC(C)OC1=C(C=C(C=C1)F)C=O Z415637930 [1,1,0,0,0,0|1,0,1]=4 226 B13R1.91 COC(=O)CC1=C(C=CC=C1)C=O Z1255466410 [1,1,0,0,0,0|1,0,0]=3 227 B13R1.380 CC(C)OC1=C(C=CC=C1)/C=N/O Z49568834 [1,1,0,0,0,0|1,0,1]=4 228 B13R1.3089 CC(=O)NC1=C(C=CC(=C1)Br)C=O Z2865958558 [1,1,0,0,0,0|1,0,0]=3 229 B13R1.141 CCNC1=C(C=C(C=C1)C)C(=O)O Z111833880 [1,1,0,0,0,0|1,0,1]=4 230 B13R1.141 CCNC1=C(C=C(C=C1)Cl)C(=O)O Z838078476 [1,1,0,0,0,0|1,0,1]=4 231 B13R1.141 CCOC1=C(C=C(C=C1)Cl)C(=O)C Z54531341 [1,1,0,0,0,0|1,0,1]=4 232 B13R1.141 CCOC1=C(C=C(C=C1)Cl)C(=O)N Z111427988 [1,1,0,0,0,0|1,0,1]=4 233 B13R1.141 CCSC1=C(C=C(C=C1)Cl)C(=O)O Z838079200 [1,1,0,0,0,0|0,1,1]=4 234 B13R1.356 CCOC1=C(C=CC(=C1)Cl)C(=O)O Z149256332 [1,1,0,0,0,0|0,0,1]=3 235 B13R1.356 CCOC1=C(C=CC(=N1)C)C(=O)O Z995146752 [1,1,0,0,0,0|1,0,1]=4 236 B13R1.356 CCSC1=C(C=CC(=C1)Cl)C(=O)O Z1082852824 [1,1,0,0,0,0|0,1,1]=4 237 B13R1.382 CCNC1=C(C=CC=C1)C(=O)OC Z111833748 [1,1,0,0,0,0|1,0,1]=4 238 B13R1.382 CCOC1=C(C=CC=C1)C(=O)NC Z68248409 [1,1,0,0,0,0|1,0,1]=4 239 B13R1.382 CNCC1=C(C=CC=C1)C(=O)OC Z1268152318 [1,1,0,0,0,0|2,0,0]=4 240 B13R1.547 CCS(=O)C1=C(C=CC=C1)C(=O)O Z85923150 [1,1,0,0,0,0|0,1,1]=4 241 B13R1.547 COC(=O)C1=C(C=CC=C1)C(=O)O Z1080376828 [1,1,0,0,0,0|2,0,0]=4 242 B13R1.572 C=CCOC1=C(C=CC=C1)C(=O)O Z57921219 [1,1,0,0,0,0|0,0,1]=3 243 B13R1.572 C=CCSC1=C(C=CC=C1)C(=O)O Z149170952 [1,1,0,0,0,0|0,1,1]=4 244 B13R1.572 CCCNC1=C(C=CC=C1)C(=O)O Z111833842 [1,1,0,0,0,0|1,0,1]=4 245 B13R1.572 CCCOC1=C(N=CC=C1)C(=O)O Z808643222 [1,1,0,0,0,0|1,0,1]=4 246 B13R1.572 CNCCC1=C(C=CC=C1)C(=O)O Z1665033404 [1,1,0,0,0,0|1,0,1]=4 247 B13R1.572 NC(=O)C1=C(C=CC=C1)OCCO Z149199514 [1,1,0,0,0,0|1,0,1]=4 248 B13R1.572 NCCSC1=C(C=CC=C1)C(=O)O Z1269152864 [1,1,0,0,0,0|0,1,1]=4 249 B13R1.572 O=C(O)C1=C(C=CC=C1)NCCO Z56845199 [1,1,0,0,0,0|1,0,1]=4 250 B13R1.572 O=C(O)C1=C(C=CC=C1)OCCO Z118461564 [1,1,0,0,0,0|0,0,1]=3 251 B13R1.572 O=C(O)C1=C(C=CC=C1)SCCO Z118461552 [1,1,0,0,0,0|0,1,1]=4 252 B13R1.572 O=C(O)C1=C(N=CC=C1)OCCO Z332379854 [1,1,0,0,0,0|1,0,1]=4 253 B13R1.2897 CCOC1=C(C(=CC=N1)C)C(=O)O Z1471021487 [1,1,0,0,0,0|1,0,1]=4 254 B13R1.4012 CCOC1=C(C=CC=C1F)C(=O)O Z994470774 [1,1,0,0,0,0|0,0,1]=3 255 B13R1.165 CC(C)C1=C(C=C(C=C1)Cl)C(=O)O Z1947398798 [0,1,0,0,1,0|1,0,1]=4 256 B13R1.165 CC(C)C1=C(C=C(C=C1)F)C(=O)O Z1171157999 [0,1,0,0,1,0|1,0,1]=4 257 B13R1.165 CC1=CC(=C(C=C1)C(C)C)C(=O)O Z1251357644 [0,1,0,0,1,0|1,0,1]=4 258 B13R1.165 CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O Z1255419193 [0,1,0,0,1,0|2,0,0]=4 259 B13R1.165 CC1=CC(=C(N=C1)C(=O)O)C(=O)O Z1198165562 [0,1,0,0,1,0|2,0,0]=4 260 B13R1.165 CN(C)C1=C(C=CC(=C1)Br)C(=O)O Z1816507679 [0,1,0,0,1,0|2,0,0]=4 261 B13R1.165 NC1=CC(=C(C=C1)C(=O)O)C(=O)O Z276600422 [0,1,0,0,1,0|1,0,0]=3 262 B13R1.165 O=C(O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-] Z104474392 [0,1,0,0,1,0|2,0,0]=4 263 B13R1.165 O=C(O)C1=C(C=C(C=C1)F)C(=O)O Z335437572 [0,1,0,0,1,0|1,0,0]=3 264 B13R1.165 O=C(O)C1=C(C=C(C=C1)I)C(=O)O Z1269194728 [0,1,0,0,1,0|1,0,0]=3 265 B13R1.165 O=C(O)C1=C(C=C(C=C1)O)[N+](=O)[O-] Z1198238037 [0,1,0,0,1,0|2,0,0]=4 266 B13R1.165 O=C(O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-] Z104477156 [0,1,0,0,1,0|2,0,0]=4 267 B13R1.165 O=C(O)C1=C(C=CC(=C1)F)[N+](=O)[O-] Z600389888 [0,1,0,0,1,0|2,0,0]=4 268 B13R1.165 O=C(O)C1=C(C=CC(=C1)O)[N+](=O)[O-] Z385458388 [0,1,0,0,1,0|2,0,0]=4 269 B13R1.165 O=C(O)C1=C(N=C(C=C1)Cl)C(=O)O Z1269219018 [0,1,0,0,1,0|2,0,0]=4 270 B13R1.295 CC(=O)C1=C(C=CC=C1C)[N+](=O)[O-] Z1255468663 [0,1,0,0,1,0|1,0,1]=4 271 B13R1.295 CC(C)C1=C(C(=CC=C1)F)C(=O)O Z1741792263 [0,1,0,0,1,0|1,0,1]=4 272 B13R1.295 CC(C)C1=C(C=CC=C1F)C(=O)O Z3300754407 [0,1,0,0,1,0|1,0,1]=4 273 B13R1.295 CC1=C(C(=CC=C1)C(=O)O)[N+](=O)[O-] Z104482584 [0,1,0,0,1,0|2,0,0]=4 274 B13R1.295 CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O Z168878268 [0,1,0,0,1,0|2,0,0]=4 275 B13R1.295 CC1=C(C(=NC=C1)C(=O)O)C(=O)O Z1262512158 [0,1,0,0,1,0|2,0,0]=4 276 B13R1.295 NC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O Z1255442308 [0,1,0,0,1,0|2,0,0]=4 277 B13R1.295 O=C(O)C1=C(C=CC=C1Cl)[N+](=O)[O-] Z277540142 [0,1,0,0,1,0|2,0,0]=4 278 B13R1.349 CC(=O)C1=C(C=CC=C1)S(=O)(=O)C Z1116403972 [0,1,0,0,1,0|1,0,1]=4 279 B13R1.349 CC(C)(C)C1=C(C=CC=C1)C(=O)O Z1198187055 [0,1,0,0,1,0|1,0,1]=4 280 B13R1.349 CP(=O)(O)C1=C(C=CC=C1)C(=O)O Z1508983292 [0,1,0,0,1,0|1,0,0]=3 281 B13R1.349 CS(=O)(=O)C1=C(C=CC=C1)C(=O)O Z57044274 [0,1,0,0,1,0|1,0,0]=3 282 B13R1.349 CS(=O)(=O)C1=C(C=CC=N1)C(=O)O Z362600258 [0,1,0,0,1,0|2,0,0]=4 283 B13R1.349 CS(=O)(=O)C1=C(N=CC=C1)C(=O)O Z1508941156 [0,1,0,0,1,0|2,0,0]=4 284 B13R1.349 O=C(O)C1=C(C=CC=C1)P(=O)(O)O Z1269164752 [0,1,0,0,1,0|2,0,0]=4 285 B13R1.349 O=C(O)C1=C(C=CC=C1)S(=O)(=O)O Z56759395 [0,1,0,0,1,0|2,0,0]=4 286 B13R1.2880 COC(=O)CC1=C(C=CO1)C(=O)O Z1889708437 [0,1,0,0,1,0|2,0,0]=4 287 B13R1.2880 COC(=O)CC1=C(C=CS1)C(=O)O Z2217033018 [0,1,0,0,1,0|2,0,0]=4 288 B13R1.3487 CC(=O)NC1=C(C=C(S1)Cl)C(=O)O Z1269175429 [0,1,0,0,1,0|2,0,0]=4 289 B15R1.3845 C=CC(=O)NC1=C(C=CC=C1)CC(=O)O Z992496654 [0,1,0,0,0,1|1,0,1]=4 290 B15R1.9074 CS(=O)(=O)NC1=C(C=CC=C1)CC(=O)O Z992499064 [0,1,0,0,0,1|2,0,0]=4 291 B15R1.985 C=C(C)COC1=C(N=CC=C1)C(=O)OC Z1578862253 [0,1,0,0,0,1|2,0,0]=4 292 B15R1.985 COC(=O)C1=C(C=CC=C1)CCC(=O)O Z1508930382 [0,1,0,0,0,1|2,0,0]=4 293 B15R1.1108 C=CC(=O)NCC1=C(C=CC=C1)C(=O)O Z3490366564 [0,1,0,0,0,1|1,0,1]=4 294 B15R1.1108 CNC(=O)COC1=C(C=CC=C1)C(=O)N Z15685607 [0,1,0,0,0,1|1,0,0]=3 295 B15R1.1108 CNC(=O)CSC1=C(C=CC=C1)C(=O)O Z55950835 [0,1,0,0,0,1|0,1,0]=3 296 B15R1.1108 COC(=O)CCC1=C(C=CC=C1)C(=O)O Z1508919677 [0,1,0,0,0,1|1,0,0]=3 297 B15R1.1108 COC(=O)CNC1=C(C=CC=C1)C(=O)N Z131772086 [0,1,0,0,0,1|2,0,0]=4 298 B15R1.1108 COC(=O)COC1=C(C=CC=C1)C(=O)C Z54567277 [0,1,0,0,0,1|1,0,0]=3 299 B15R1.1108 COC(=O)COC1=C(C=CC=C1)[N+](=O)[O-] Z19688869 [0,1,0,0,0,1|1,0,1]=4 300 B15R1.6620 NC(=O)CNC1=C(C=CC=C1Cl)C(=O)O Z2799202188 [0,1,0,0,0,1|2,0,0]=4 301 B15R1.8415 CC(=O)C1=C(C=CC(=C1)Br)OCC(=O)O Z359570156 [0,1,0,0,0,1|2,0,0]=4 302 B15R1.8415 CC(=O)C1=C(C=CC(=C1)C)OCC(=O)O Z57216308 [0,1,0,0,0,1|2,0,0]=4 303 B15R1.8415 CC(=O)COC1=C(C=C(C=C1)Cl)C(=O)O Z118459320 [0,1,0,0,0,1|0,0,0]=2 304 B15R1.8415 CC(C)COC1=C(C=C(C=C1)Cl)C(=O)O Z118459072 [0,1,0,0,0,1|1,0,1]=4 305 B15R1.8415 NC(=O)COC1=C(C=C(C=C1)Br)C(=O)O Z64749079 [0,1,0,0,0,1|1,0,0]=3 306 B15R1.8415 NC(=O)COC1=C(C=C(C=C1)Cl)C(=O)N Z26324295 [0,1,0,0,0,1|2,0,0]=4 307 B15R1.8435 C=C(C)COC1=C(C=CC(=C1)Cl)C(=O)N Z913572564 [0,1,0,0,0,1|2,0,0]=4 308 B15R1.8435 CC(=O)C1=C(C=C(C=C1)Br)OCC(=O)O Z57392106 [0,1,0,0,0,1|2,0,0]=4 309 B15R1.8435 CC(=O)C1=C(C=C(C=C1)Cl)OCC(=O)O Z57391912 [0,1,0,0,0,1|2,0,0]=4 310 B15R1.91 COC1=CC(=C(C=C1)C(=O)O)OC(C)C Z801465970 [0,2,0,0,0,0|1,0,1]=4 311 B15R1.134 CS(=O)(=O)NC1=C(C=CC(=C1)F)C(=O)O Z133867060 [0,2,0,0,0,0|2,0,0]=4 312 B15R1.3825 CCC(=O)NC1=C(C=CC(=C1)F)C(=O)C Z1654178735 [0,2,0,0,0,0|2,0,0]=4 313 B15R1.3825 O=C(CCl)NC1=C(C=CC(=C1)Cl)C(=O)O Z56910423 [0,2,0,0,0,0|1,0,0]=3 314 B15R1.3825 O=C(CCl)NC1=C(C=CC(=C1)F)C(=O)O Z157039522 [0,2,0,0,0,0|1,0,0]=3 315 B15R1.8400 NC(=O)NC1=C(C=C(C(=C1)F)F)C(=O)O Z1029451760 [0,2,0,0,0,0|2,0,0]=4 316 B15R1.1343 CCC(=O)N(C)C1=C(C=CC=C1)C(=O)O Z224209256 [0,2,0,0,0,0|1,0,0]=3 317 B15R1.1343 COC(=O)N(C)C1=C(C=CC=C1)C(=O)O Z319610286 [0,2,0,0,0,0|1,0,0]=3 318 B15R1.8266 CC(=O)N(C)C1=C(C=CC=C1F)C(=O)O Z916919192 [0,2,0,0,0,0|1,0,0]=3 319 B15R1.8414 CC(=O)N(C)C1=C(C=C(C=C1)Br)C(=O)O Z910644826 [0,2,0,0,0,0|1,0,0]=3 320 B15R1.8414 CC(=O)N(C)C1=C(C=C(C=C1)C)C(=O)O Z910644840 [0,2,0,0,0,0|1,0,0]=3 321 B15R1.8414 CC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)O Z910644842 [0,2,0,0,0,0|1,0,0]=3 322 B15R1.9034 CN(C1=C(C=CC=C1)C(=O)O)S(=O)(=O)C Z57191667 [0,2,0,0,0,0|2,0,0]=4 323 B15R1.810 CCOC(=O)C1=C(C=CC=C1)OC(=O)N Z1509403849 [0,2,0,0,0,0|1,0,0]=3 324 B15R1.925 COC(=O)C1=C(C=CC(=C1)Br)NC(=O)C Z29834419 [0,2,0,0,0,0|1,0,0]=3 325 B15R1.925 COC(=O)C1=C(C=CC(=C1)Br)OC(C)C Z1509519552 [0,2,0,0,0,0|1,0,1]=4 326 B15R1.3847 C=CC(=O)NC1=C(C=CC=C1)C(=O)OC Z440635160 [0,2,0,0,0,0|1,0,1]=4 327 B15R1.3847 COC(=O)C1=C(C=CC=C1)NC(=O)CCl Z56755197 [0,2,0,0,0,0|1,0,0]=3 328 B15R1.38499 COC(=O)C1=C(C(=CC=C1)C)NC(=O)C Z283533190 [0,2,0,0,0,0|1,0,0]=3 329 B15R1.38499 COC(=O)C1=C(C(=CC=C1)N)OC(C)C Z1983101212 [0,2,0,0,0,0|1,0,1]=4 330 B15R1.1274 CCOC(=O)CC1=C(C=CC=N1)C(=O)O Z220327444 [0,2,0,0,0,0|2,0,0]=4 331 B15R1.1274 CNCC(=O)NC1=C(C=CC=C1)C(=O)O Z55928897 [0,2,0,0,0,0|1,0,0]=3 332 B15R1.1274 COCC(=O)NC1=C(C=CC=C1)C(=O)C Z260391648 [0,2,0,0,0,0|2,0,0]=4 333 B15R1.1274 COCC(=O)NC1=C(C=CC=C1)C(=O)N Z57260539 [0,2,0,0,0,0|2,0,0]=4 334 B15R1.1274 N#CCC(=O)NC1=C(C=CC=C1)C(=O)O Z56896875 [0,2,0,0,0,0|1,0,0]=3 335 B15R1.1274 NC(=O)C1=C(C=CC=C1)NC(=O)CCCl Z361993112 [0,2,0,0,0,0|2,0,0]=4 336 B15R1.2996 CCC(=O)NC1=C(C=C(C=C1)C)C(=O)O Z316093494 [0,2,0,0,0,0|1,0,0]=3 337 B15R1.2996 CCC(=O)NC1=C(C=C(C=C1)N)C(=O)O Z1094762916 [0,2,0,0,0,0|1,0,0]=3 338 B15R1.2996 O=C(CCl)NC1=C(C=C(C=C1)Br)C(=O)O Z147641920 [0,2,0,0,0,0|1,0,0]=3 339 B15R1.2996 O=C(CCl)NC1=C(C=C(C=C1)Cl)C(=O)O Z157039506 [0,2,0,0,0,0|1,0,0]=3 340 B15R1.7707 CCS(=O)(=O)NC1=C(C=CC=C1)C(=O)O Z53825031 [0,2,0,0,0,0|2,0,0]=4 341 B15R1.13377 C#CC(=O)NC1=C(C(=CC=C1)F)C(=O)O Z424766182 [0,2,0,0,0,0|1,0,1]=4 342 B15R1.40363 CC1=C(C(=CC=C1)C(=O)O)NC(=O)CCl Z157039514 [0,2,0,0,0,0|1,0,0]=3 343 B15R1.40363 CCC(=O)NC1=C(C=CC=C1C)C(=O)O Z224184044 [0,2,0,0,0,0|1,0,0]=3 344 B15R1.3560 CC(=O)NC1=C(C=C(C=C1Br)C)C(=O)O Z910841110 [0,2,0,0,0,0|1,0,0]=3 345 B15R1.3560 CC(=O)NC1=C(C=C(C=C1C)C)C(=O)O Z910841232 [0,2,0,0,0,0|1,0,0]=3 346 B15R1.1927 COC1=CC(=C(C=C1)CC(=O)O)C(=O)O Z56770999 [0,2,0,0,0,0|2,0,0]=4 347 B15R1.8453 CC1=CC(=C(C=C1)NS(=O)(=O)C)C(=O)O Z316093856 [0,2,0,0,0,0|2,0,0]=4 348 B15R1.8453 CS(=O)(=O)NC1=C(C=C(C=C1)Cl)C(=O)O Z55953121 [0,2,0,0,0,0|2,0,0]=4 349 B15R1.8453 CS(=O)(=O)NC1=C(C=C(C=C1)F)C(=O)O Z133679140 [0,2,0,0,0,0|2,0,0]=4 350 B15R1.8453 CS(=O)(=O)NC1=C(C=C(C=C1)N)C(=O)O Z439705744 [0,2,0,0,0,0|2,0,0]=4 351 B13R1.13 CC(=O)C1=C(C=CC(=C1)C(=O)O)C Z1551959921 [0,0,1,1,0,0|1,0,1]=4 352 B13R1.13 CC(=O)C1=C(C=CC(=C1)C(=O)O)O Z316120698 [0,0,1,1,0,0|2,0,0]=4 353 B13R2.328 CC1=CC(=O)C2=C(N1)C=CC=C2 Z445211720 [1,0,0,1,0,0|2,0,0]=4 354 B13R2.328 CC1=NC(=C2C=CC=CC2=C1)O Z1622825502 [1,0,0,1,0,0|2,0,0]=4 355 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)N1 Z56895688 [1,0,0,1,0,0|2,0,0]=4 356 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 Z96091926 [1,0,0,1,0,0|1,0,1]=4 357 B13R2.328 O=C1C=C(C2=C(N1)C=CC=C2)O Z56781882 [1,0,0,1,0,0|1,0,1]=4 358 B13R2.328 O=C1C=C(C2=C(O1)C=CC=C2)Cl Z1198153642 [1,0,0,1,0,0|1,0,1]=4 359 B13R2.328 O=C1C=C(C2=C(O1)C=CC=C2)O Z56922074 [1,0,0,1,0,0|0,0,1]=3 360 B13R2.328 O=C1CC(=O)N2C=CC=CC2=N1 Z56758546 [1,0,0,1,0,0|2,0,0]=4 361 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Z133528266 [1,0,0,1,0,0|2,0,0]=4 362 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 Z104508708 [1,0,0,1,0,0|2,0,0]=4 363 B13R2.328 O=C1NC(=O)C2=C(N1)C=CC=C2 Z57177786 [1,0,0,1,0,0|2,0,0]=4 364 B13R2.328 O=C1NC(=O)C2=C(O1)C=CC=C2 Z1255365144 [1,0,0,1,0,0|1,0,0]=3 365 B13R2.328 O=C1NC(=O)C2=C(S1)C=CC=C2 Z1649390235 [1,0,0,1,0,0|1,1,0]=4 366 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 Z104472968 [1,0,0,1,0,0|2,0,0]=4 367 B13R2.581 CC1=CC2=C(O1)C(=CC=C2)C=O Z1216843560 [1,0,0,1,0,0|1,0,0]=3 368 B13R2.581 CC1=NC2=C(O1)C(=CC=C2)CO Z57102533 [1,0,0,1,0,0|1,0,1]=4 369 B13R2.581 CC1=NC2=C(O1)C=CC=C2C=O Z1322795366 [1,0,0,1,0,0|1,0,1]=4 370 B13R2.581 O=CC1=C2OC(=O)NC2=CC=C1 Z1416177290 [1,0,0,1,0,0|1,0,0]=3 371 B13R2.621 O=CC1=C(C=CC=C1)OC2CC2 Z1255501203 [1,0,0,1,0,0|1,0,1]=4 372 B13R2.5252 O=C1CCCOC2=C1C=CC=C2 Z382721394 [1,0,0,1,0,0|1,0,1]=4 373 B13R2.5252 O=C1NCC=NC2=C1C=CC=C2 Z1198311535 [1,0,0,1,0,0|2,0,0]=4 374 B13R2.5252 O=C1NCCOC2=C1C=CC=C2 Z234898083 [1,0,0,1,0,0|1,0,1]=4 375 B13R2.5514 O=C(O)C1=C(C=CC=C1)C2CC2 Z992239744 [1,0,0,1,0,0|1,0,1]=4 376 B13R2.5569 CC(=O)C1=C2OC=NC2=CC=C1 Z1198184854 [1,0,0,1,0,0|2,0,0]=4 377 B13R2.5569 NC(=O)C1=C2OCCC2=CC=C1 Z1262683459 [1,0,0,1,0,0|1,0,1]=4 378 B13R2.5569 O=C(O)C1=C2C=CSC2=CC=C1 Z1198159167 [1,0,0,1,0,0|1,1,0]=4 379 B13R2.5569 O=C(O)C1=C2N=CNC2=CC=C1 Z1079087298 [1,0,0,1,0,0|2,0,0]=4 380 B13R2.5569 O=C(O)C1=C2N=CSC2=CC=C1 Z1278927723 [1,0,0,1,0,0|1,1,0]=4 381 B13R2.5569 O=C(O)C1=C2NC=CC2=CC=C1 Z274503298 [1,0,0,1,0,0|1,0,1]=4 382 B13R2.5569 O=C(O)C1=C2NCCC2=CC=C1 Z1198341662 [1,0,0,1,0,0|1,0,1]=4 383 B13R2.5569 O=C(O)C1=C2OCCC2=CC=C1 Z1201620458 [1,0,0,1,0,0|0,0,1]=3 384 B13R2.5569 O=C(O)C1=C2OCOC2=CC=C1 Z553832512 [1,0,0,1,0,0|0,0,2]=4 385 B13R2.5569 O=C(O)C1=C2ON=NC2=CC=C1 Z1813245868 [1,0,0,1,0,0|2,0,0]=4 386 B13R2.5569 O=C(O)C1=C2SC=CC2=CC=C1 Z1201624703 [1,0,0,1,0,0|0,1,1]=4 387 B13R2.5569 O=C(O)C1=C2SC=NC2=CC=C1 Z1255417294 [1,0,0,1,0,0|1,1,0]=4 388 B13R2.371 CC1=C2C=CC=CC2=C(C=C1)O Z1198149533 [0,0,0,1,1,0|2,0,0]=4 389 B13R2.371 CC1=NNC(=O)C2=C1C=CC=C2 Z56877312 [0,0,0,1,1,0|2,0,0]=4 390 B13R2.371 O=C1C=CC(=O)C2=C1C=CC=C2 Z104494806 [0,0,0,1,1,0|1,0,1]=4 391 B13R2.371 O=C1NC=C(C2=C1C=CC=C2)O Z276119362 [0,0,0,1,1,0|2,0,0]=4 392 B13R2.371 O=C1NNC(=O)C2=C1C=CC=C2 Z50146004 [0,0,0,1,1,0|2,0,0]=4 393 B13R2.12159 CC1(OC(=O)C2=C1C=CC=C2)C Z1255415853 [0,0,0,1,1,0|1,0,1]=4 394 B13R2.12159 CS1(=NC(=O)C2=C1C=CC=C2)=O Z3072622612 [0,0,0,1,1,0|2,0,0]=4 395 B15R2.988 CC(=O)N1CC(=O)NC2=C1C=CC=C2 Z33397778 [0,0,0,1,0,1|2,0,0]=4 396 B15R2.988 CC1=NC2=C(C=CC=C2)C(=C1)C(=O)O Z56756342 [0,0,0,1,0,1|2,0,0]=4 397 B15R2.988 O=C1C=C(C2=C(N1)C=CC=C2)C(=O)O Z56795730 [0,0,0,1,0,1|1,0,1]=4 398 B15R2.988 O=C1CC(C2=C(N1)C=CC=C2)C(=O)O Z221425988 [0,0,0,1,0,1|1,0,0]=3 399 B15R2.988 O=C1CC(C2=C(N1)N=CC=C2)C(=O)O Z3085641309 [0,0,0,1,0,1|2,0,0]=4 400 B15R2.1106 CC(=O)NC1=C2NC(=O)NC2=CC=C1 Z2227141002 [0,0,0,1,0,1|2,0,0]=4 401 B15R2.384 O=C1COC2=C(C=CC=C2N1)C(=O)O Z1094758722 [0,0,0,1,0,1|1,0,0]=3 402 B15R2.14951 CC(=O)C1=CC2=C(C=CC=C2)C(=O)O1 Z2526869754 [0,0,0,1,0,1|1,0,0]=3 403 B15R2.14951 CC(=O)C1CC2=C(C=CC=C2)C(=O)O1 Z203244234 [0,0,0,1,0,1|1,0,0]=3 404 B15R2.14951 O=C(O)C1=CC(=O)C2=C(O1)C=CC=C2 Z56922101 [0,0,0,1,0,1|2,0,0]=4 405 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)O1 Z1198163323 [0,0,0,1,0,1|2,0,0]=4 406 B15R2.14951 O=C1OC(CC2=C1C=CC=C2)C(=O)O Z56347259 [0,0,0,1,0,1|2,0,0]=4 407 B15R2.16319 O=C(O)C1=C(C=CC=C1)OCC2CC2 Z335441616 [0,0,0,1,0,1|1,0,1]=4 408 B15R2.53147 O=C(O)CC1OC(=O)C2=C1C=CC=C2 Z57055800 [0,0,0,1,0,1|2,0,0]=4 409 B15R2.69035 CC1(COC2=C(C=CC=C12)C(=O)O)C Z1262519470 [0,0,0,1,0,1|1,0,1]=4 410 B15R2.7328 CC1=CC2=C(C=C1)C(=O)NCC(=O)N2 Z3024408969 [0,1,0,1,0,0|2,0,0]=4 411 B15R2.7328 O=C1CNC(=O)C2=C(N1)C=C(C=C2)Br Z3024408973 [0,1,0,1,0,0|2,0,0]=4 412 B15R2.14565 CC1=CC2=C(N1)C(=CC=C2C(=O)O)C Z1551936637 [0,1,0,1,0,0|2,0,0]=4 413 B15R2.14565 CC1=CC2=C(O1)C(=CC=C2Br)C(=O)O Z1736896414 [0,1,0,1,0,0|1,0,0]=3 414 B15R2.1107 CN1C(=O)NC2=C1C(=CC=C2)C(=O)O Z1262559659 [0,1,0,1,0,0|2,0,0]=4 415 B15R2.7340 CN1C(=O)CNC(=O)C2=C1C=CC=C2 Z1089878120 [0,1,0,1,0,0|2,0,0]=4 416 B15R2.14628 O=C(O)C1=COC(=O)C2=C1C=CC=C2 Z1201621939 [0,1,0,1,0,0|2,0,0]=4 417 B15R2.147885 CC1(OC(=O)C2=C1C=CC=C2)C(=O)O Z1262521671 [0,1,0,1,0,0|2,0,0]=4 418 B15R2.147885 NC(=O)C1(OC(=O)C2=C1C=CC=C2)O Z2491497775 [0,1,0,1,0,0|2,0,0]=4 419 B15R2.550 O=C1CCCC(=O)C2=C(N1)C=CC=C2 Z1509146278 [0,1,0,1,0,0|2,0,0]=4 420 B15R2.8448 CN1CC(=O)NC2=C(C1=O)C=CC=C2 Z1120981369 [0,1,0,1,0,0|2,0,0]=4 421 B15R2.19309 COC(=O)C1=C2N=C(NC2=CC=C1)C Z1255449220 [0,1,0,1,0,0|2,0,0]=4 422 B15R2.19309 COC(=O)C1=C2NC(=O)NC2=CC=C1 Z2757548855 [0,1,0,1,0,0|2,0,0]=4 423 B15R2.19309 COC(=O)C1=C2OC(=NC2=CC=C1)N Z1862016030 [0,1,0,1,0,0|2,0,0]=4 424 B15R2.19309 COC(=O)C1=C2OC(=NC2=CC=C1)S Z1269189755 [0,1,0,1,0,0|1,1,0]=4 425 B15R2.19309 COC(=O)C1=C2OC(=O)NC2=CC=N1 Z2732702175 [0,1,0,1,0,0|2,0,0]=4 426 B15R2.24965 CC(=O)N1C(=O)C(=O)C2=C1C=CC=C2 Z56799669 [0,1,0,1,0,0|1,0,1]=4 427 B15R2.49945 CC(=O)NC1=C2C(=O)CCC2=CC=C1 Z1255361795 [0,1,0,1,0,0|2,0,0]=4 428 B15R2.7268 CC1=CC2=C(C=CC=C2C(=O)O)N=C1 Z1216843142 [0,1,0,1,0,0|2,0,0]=4 429 B15R2.7268 CC1=NC2=C(C=CC=C2C(=O)O)C=C1 Z1198223612 [0,1,0,1,0,0|2,0,0]=4 430 B15R2.7268 O=C1C=CC2=CC=CC(=C2N1)C(=O)O Z2168496107 [0,1,0,1,0,0|1,0,1]=4 431 B15R2.7268 O=C1CCC2=CC=CC(=C2C1)C(=O)O Z1486004796 [0,1,0,1,0,0|1,0,0]=3 432 B15R2.7268 O=C1COC2=CC=CC(=C2N1)C(=O)O Z1255391797 [0,1,0,1,0,0|1,0,0]=3 433 B15R2.13167 CC1NC(=O)C2=C(C=CC=C2)NC1=O Z1198161115 [0,1,0,1,0,0|2,0,0]=4 434 B15R2.13167 CC1OC2=C(C=CC=C2)C(=O)NC1=O Z361993712 [0,1,0,1,0,0|1,0,1]=4 435 B15R2.16320 O=C(O)C1=C(C=CC=C1)OC2CCC2 Z963456798 [0,1,0,1,0,0|1,0,1]=4 436 B15R2.23388 COC(=O)C1CC(=O)C2=C1C=CC=C2 Z1198158757 [0,1,0,1,0,0|2,0,0]=4 437 B15R2.23388 COC(=O)C1NC(=O)C2=C1C=CC=C2 Z1255406307 [0,1,0,1,0,0|2,0,0]=4 438 B15R2.45730 CC1=C(C2=C(N1)C(=CC=C2)C(=O)O)C Z316119556 [0,1,0,1,0,0|2,0,0]=4 439 B15R2.45730 CC1OC2=C(C=CC=C2C1C)C(=O)O Z133382192 [0,1,0,1,0,0|1,0,1]=4 440 B15R2.45730 CN1C(=O)CC2=C(C=CC=C12)C(=O)O Z1813242905 [0,1,0,1,0,0|1,0,0]=3 441 B15R2.45730 CN1C(=O)OC2=C1C=CC=C2C(=O)O Z1443550639 [0,1,0,1,0,0|0,0,0]=2 442 B15R2.45730 O=C(O)C1=C2NC(=O)C(=O)C2=CC=C1 Z276142356 [0,1,0,1,0,0|1,0,1]=4 443 B15R2.7355 CC1=C2NC(=O)CCC(=O)C2=CC=C1 Z2786051901 [0,1,0,1,0,0|2,0,0]=4 444 B15R2.7355 O=C1CNC(=O)C2=CC=CC(=C2N1)Br Z1524650197 [0,1,0,1,0,0|2,0,0]=4 445 B15R2.7332 CC1=CC2=C(C=C1)NC(=O)CNC2=O Z1198267161 [0,1,0,1,0,0|2,0,0]=4 446 B15R2.7332 O=C1CCC(=O)C2=C(N1)C=CC(=C2)Cl Z1269174694 [0,1,0,1,0,0|2,0,0]=4 447 B15R2.7332 O=C1CCC(=O)C2=C(N1)C=CC(=C2)F Z1509197283 [0,1,0,1,0,0|2,0,0]=4 448 B15R2.7332 O=C1CNC(=O)C2=C(N1)C=CC(=C2)Br Z57234678 [0,1,0,1,0,0|2,0,0]=4 449 B15R2.62112 CC1=NC2=C(N1)C=C(C=C2C(=O)O)Cl Z1681348912 [0,1,0,1,0,0|2,0,0]=4 450 B15R2.62112 O=C1NC2=CC(=CC(=C2N1)C(=O)O)Br Z1551955192 [0,1,0,1,0,0|2,0,0]=4 451 B11R1.57 CC(=O)NC1=C(SC=C1)C=O Z1222343812 [1,0,0,0,1,0|2,0,0]=4 452 B11R1.193 CCOC1=C(C=CS1)C(=O)O Z1262555526 [1,0,0,0,1,0|1,0,1]=4 453 B11R1.193 CCOC1=C(SC=C1)C(=O)O Z1124714289 [1,0,0,0,1,0|1,0,1]=4 454 B11R1.178 CC(=O)C1=C(SC=C1)C(=O)O Z1198158862 [0,0,0,0,2,0|1,0,0]=3 455 B11R1.178 NC(=O)C1=CSC=C1C(=O)O Z2122267359 [0,0,0,0,2,0|2,0,0]=4 456 B11R1.178 O=C(O)C1=C(SC=C1)C(=O)O Z877960192 [0,0,0,0,2,0|2,0,0]=4 457 B11R1.178 O=C(O)C1=CNC=C1C(=O)O Z815303066 [0,0,0,0,2,0|2,0,0]=4 458 B13R1.90 CC(C)COC1=C(C=CC=C1)C=O Z53833346 [1,0,0,0,0,1|1,0,1]=4 459 B13R1.90 COC1=C(C=CC=C1)OCC(=O)C Z19753986 [1,0,0,0,0,1|2,0,0]=4 460 B13R1.90 NC(=O)COC1=C(C=CC=C1)C=O Z19659059 [1,0,0,0,0,1|1,0,0]=3 461 B13R1.90 O=CC1=C(C=CC=C1)OCC(=O)O Z57313877 [1,0,0,0,0,1|1,0,0]=3 462 B13R1.587 CC(=O)NC1=CC(=CC=C1)C(=O)C Z30816194 [0,0,0,0,1,1|2,0,0]=4 463 B13R1.587 CC(=O)NC1=CC(=CC=C1)C(=O)N Z29177113 [0,0,0,0,1,1|2,0,0]=4 464 B13R1.587 CC(=O)NC1=CC(=CC=C1)C(=O)O Z57647063 [0,0,0,0,1,1|1,0,0]=3 465 B13R1.587 CC(=O)NC1=NC(=CC=C1)C(=O)O Z223026202 [0,0,0,0,1,1|1,0,0]=3 466 B13R1.587 CC(=O)OC1=CC(=CC=C1)C(=O)O Z336079448 [0,0,0,0,1,1|0,0,0]=2 467 B13R1.587 CC(C)OC1=CC(=CC=C1)C(=O)O Z57243683 [0,0,0,0,1,1|1,0,1]=4 468 B13R1.587 CC(C)OC1=NC(=CC=C1)C(=O)O Z969095408 [0,0,0,0,1,1|1,0,1]=4 469 B13R1.587 CS(=O)CC1=CC(=CC=C1)C(=O)O Z168796498 [0,0,0,0,1,1|2,0,0]=4 470 B13R1.587 NC(=O)NC1=CC(=CC=C1)C(=O)O Z90122506 [0,0,0,0,1,1|2,0,0]=4 471 B15R1.5914 CC(=O)NC1=C(C=CC=C1)OCC(=O)N Z19817189 [0,0,0,0,0,2|2,0,0]=4 472 B15R1.5914 CC(=O)NC1=C(C=CC=C1)OCC(=O)O Z278017932 [0,0,0,0,0,2|1,0,0]=3 473 B15R1.5914 CC(=O)NC1=C(C=CC=C1)SCC(=O)N Z91114624 [0,0,0,0,0,2|2,0,0]=4 474 B15R1.8882 CC(=CCSC1=C(C=CC=C1)C(=O)O)C Z118460042 [0,0,0,0,0,2|1,1,0]=4 475 B15R1.8882 CN(C)CCOC1=C(C=CC=C1)C(=O)O Z425389732 [0,0,0,0,0,2|2,0,0]=4 476 B15R1.8882 NC(=O)C1=C(C=CC=C1)OCCC(=O)O Z285229582 [0,0,0,0,0,2|2,0,0]=4