0 B13R1.572 C=CCOC1=C(C=CC=C1)C(=O)O Z57921219 [0,0,0,0,0,0|1,1,2]=4 1 B13R1.572 C=CCSC1=C(C=CC=C1)C(=O)O Z149170952 [0,0,0,0,0,0|1,0,2]=3 2 B13R1.572 CCCNC1=C(C=CC=C1)C(=O)O Z111833842 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.572 CCCOC1=C(C=CC=C1)B(O)O Z381513014 [0,0,0,0,0,0|2,1,1]=4 4 B13R1.572 CCCOC1=C(C=CC=C1)C(=S)N Z295385426 [0,0,0,0,0,0|2,2,0]=4 5 B13R1.572 CCCOC1=C(N=CC=C1)C(=O)O Z808643222 [0,0,0,0,0,0|2,1,0]=3 6 B13R1.572 CCNCC1=C(C=CC=C1)[N+](=O)[O-] Z380844472 [0,0,0,0,0,0|3,0,1]=4 7 B13R1.572 CNCCC1=C(C=CC=C1)C(=O)O Z1665033404 [0,0,0,0,0,0|3,0,0]=3 8 B13R1.572 N#CCSC1=C(C=CC=C1)C(=O)O Z57036328 [0,0,0,0,0,0|2,0,1]=3 9 B13R1.572 NC(=O)C1=C(C=CC=C1)OCCO Z149199514 [0,0,0,0,0,0|3,1,0]=4 10 B13R1.572 NCCSC1=C(C=CC=C1)C(=O)O Z1269152864 [0,0,0,0,0,0|2,0,0]=2 11 B13R1.572 O=C(O)C1=C(C=CC=C1)NCCO Z56845199 [0,0,0,0,0,0|3,0,0]=3 12 B13R1.572 O=C(O)C1=C(C=CC=C1)OCCO Z118461564 [0,0,0,0,0,0|2,1,0]=3 13 B13R1.572 O=C(O)C1=C(C=CC=C1)SCCO Z118461552 [0,0,0,0,0,0|2,0,0]=2 14 B13R1.572 O=C(O)C1=C(N=CC=C1)OCCO Z332379854 [0,0,0,0,0,0|3,1,0]=4 15 B12R1.283 CCCC1=C(C=CC=C1)B(O)O Z821158624 [1,0,0,0,0,0|2,0,1]=4 16 B12R1.283 CCCC1=C(C=CC=C1)C(=O)O Z1255462246 [1,0,0,0,0,0|1,0,0]=2 17 B12R1.283 CCNC1=C(C=CC=C1)[N+](=O)[O-] Z31223930 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.283 CCNC1=C(N=CC=C1)C(=O)O Z2768134920 [1,0,0,0,0,0|2,0,0]=3 19 B12R1.283 CCOC1=C(C=CC=C1)B(O)O Z336079908 [1,0,0,0,0,0|1,1,1]=4 20 B12R1.283 CCOC1=C(C=CC=C1)C(=O)C Z54530097 [1,0,0,0,0,0|1,1,0]=3 21 B12R1.283 CCOC1=C(C=CC=C1)C(=O)N Z54953371 [1,0,0,0,0,0|1,1,0]=3 22 B12R1.283 CCOC1=C(C=CC=C1)C(=O)O Z104478128 [1,0,0,0,0,0|0,1,0]=2 23 B12R1.283 CCOC1=C(C=CC=C1)C(=S)N Z295385328 [1,0,0,0,0,0|1,2,0]=4 24 B12R1.283 CCOC1=C(C=CC=C1)C(C)O Z228586324 [1,0,0,0,0,0|1,1,1]=4 25 B12R1.283 CCOC1=C(C=CC=C1)[C@@H](C)O Z360055958 [1,0,0,0,0,0|1,1,1]=4 26 B12R1.283 CCOC1=C(C=CC=C1)[C@H](C)O Z360055954 [1,0,0,0,0,0|1,1,1]=4 27 B12R1.283 CCOC1=C(C=CC=N1)C(=O)N Z272156568 [1,0,0,0,0,0|2,1,0]=4 28 B12R1.283 CCOC1=C(C=CC=N1)C(=O)O Z104495504 [1,0,0,0,0,0|1,1,0]=3 29 B12R1.283 CCOC1=C(N=CC=C1)C(=O)O Z808643270 [1,0,0,0,0,0|1,1,0]=3 30 B12R1.283 CCSC1=C(C=CC=C1)C(=O)C Z332382328 [1,0,0,0,0,0|1,0,0]=2 31 B12R1.283 CCSC1=C(C=CN=C1)C(=O)O Z1262517373 [1,0,0,0,0,0|1,0,0]=2 32 B12R1.283 CCSC1=C(N=CC=C1)C(=O)O Z1262530511 [1,0,0,0,0,0|1,0,0]=2 33 B12R1.283 CCSC1=C(N=CC=N1)C(=O)O Z995152142 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.283 COCC1=C(C=CC=C1)C(=O)N Z365255872 [1,0,0,0,0,0|3,0,0]=4 35 B12R1.283 COCC1=C(C=CC=C1)C(=O)O Z359517772 [1,0,0,0,0,0|2,0,0]=3 36 B12R1.283 COCC1=C(N=CC=C1)C(=O)O Z4742339690 [1,0,0,0,0,0|3,0,0]=4 37 B12R1.283 CSCC1=C(N=CC=C1)C(=O)O Z1080732160 [1,0,0,0,0,0|3,0,0]=4 38 B12R1.283 N#CCC1=C(C=CC=C1)C(=O)O Z56946849 [1,0,0,0,0,0|2,0,1]=4 39 B12R1.283 NCCC1=C(C=CC=C1)C(=O)O Z1431905053 [1,0,0,0,0,0|2,0,0]=3 40 B14R1.67 CCCNC1=C(C=C(C=C1)C)C(=O)O Z111833874 [0,1,0,0,0,0|2,0,0]=3 41 B14R1.67 CCCOC1=C(C=C(C=C1)Cl)C(=O)N Z111427986 [0,1,0,0,0,0|2,1,0]=4 42 B14R1.67 CCCOC1=C(C=C(C=C1)Cl)C(=O)O Z111427908 [0,1,0,0,0,0|1,1,0]=3 43 B14R1.760 CCCOC1=C(C=CC(=N1)C)C(=O)O Z995150032 [0,1,0,0,0,0|2,1,0]=4 44 B14R1.789 CCCOC1=C(C=CC=C1)/C(=N/O)/N Z317032522 [0,1,0,0,0,0|2,1,0]=4 45 B14R1.789 CCCOC1=C(C=CC=C1)C(=O)CN Z2732641872 [0,1,0,0,0,0|2,1,0]=4 46 B14R1.903 CCCCNC1=C(C=CC=C1)C(=O)O Z56870802 [0,1,0,0,0,0|2,0,0]=3 47 B14R1.903 COCCOC1=C(C=CC=C1)C(=O)O Z227717390 [0,1,0,0,0,0|1,1,0]=3 48 B14R1.903 COCCOC1=C(C=CC=N1)C(=O)O Z285179272 [0,1,0,0,0,0|2,1,0]=4 49 B14R1.3302 CCC(=O)NC1=C(C=CC=C1)C(=O)O Z85878916 [0,1,0,0,0,0|2,0,0]=3 50 B14R1.3302 CCC(C)OC1=C(C=CC=C1)C(=O)O Z336337244 [0,1,0,0,0,0|1,1,0]=3 51 B14R1.3302 COC(=O)CC1=C(C=CC=C1)C(=O)O Z1198154414 [0,1,0,0,0,0|3,0,0]=4 52 B14R1.3302 COC(=O)NC1=C(C=CC=C1)C(=O)O Z192948536 [0,1,0,0,0,0|3,0,0]=4 53 B14R1.3302 O=C(CCl)NC1=C(C=CC=C1)C(=O)O Z56891406 [0,1,0,0,0,0|3,0,0]=4 54 B14R1.4522 CC(=O)CSC1=C(C=CC=C1)C(=O)O Z57028528 [0,1,0,0,0,0|1,0,1]=3 55 B14R1.4522 CC(C)CNC1=C(C=CC=C1)C(=O)O Z111833848 [0,1,0,0,0,0|2,0,0]=3 56 B14R1.4522 CC(C)COC1=C(C=CC=C1)C(=O)N Z54420065 [0,1,0,0,0,0|2,1,0]=4 57 B14R1.4522 CC(C)COC1=C(C=CC=C1)C(=O)O Z118459080 [0,1,0,0,0,0|1,1,0]=3 58 B14R1.4522 CC(C)COC1=C(C=CC=N1)C(=O)O Z285179308 [0,1,0,0,0,0|2,1,0]=4 59 B14R1.4522 CN(C)/N=N/C1=C(C=CC=C1)C(=O)O Z55928822 [0,1,0,0,0,0|3,0,0]=4 60 B14R1.4522 CN(C)CCC1=C(C=CC=C1)C(=O)O Z1688198420 [0,1,0,0,0,0|3,0,0]=4 61 B14R1.4522 NC(=O)CSC1=C(C=CC=C1)C(=O)O Z55950608 [0,1,0,0,0,0|2,0,1]=4 62 B14R1.4522 O=C(O)CSC1=C(C=CC=C1)C(=O)O Z149170932 [0,1,0,0,0,0|2,0,1]=4 63 B14R2.4 CC1=CSC2=C1C=CC=C2C(=O)O Z1262561850 [0,0,0,1,0,0|1,0,1]=3 64 B14R2.4 CC1=NNC2=C1C=CC=C2C(=O)O Z1813246246 [0,0,0,1,0,0|2,0,1]=4 65 B14R2.4 CC1COC2=C(C=CC=C12)C(=O)O Z1262515212 [0,0,0,1,0,0|1,1,0]=3 66 B14R2.4 CN1C=CC2=C1C=CC=C2C(=O)O Z415653582 [0,0,0,1,0,0|3,0,0]=4 67 B14R2.4 CN1C=NC2=C1C=CC=C2C(=O)O Z1198223126 [0,0,0,1,0,0|3,0,0]=4 68 B14R2.4 CN1CCC2=C(C=CC=C12)C(=O)O Z1094714376 [0,0,0,1,0,0|3,0,0]=4 69 B14R2.4 CN1N=NC2=C1C=CC=C2C(=O)O Z1262561712 [0,0,0,1,0,0|3,0,0]=4 70 B14R2.52 CC1CSC2=C(C=CC=C2)C(=O)N1 Z1509218261 [0,0,0,1,0,0|2,0,0]=3 71 B14R2.1019 CCC1=CC(=O)C2=C(N1)C=CC=C2 Z445211736 [0,0,0,1,0,0|3,0,0]=4 72 B14R2.1019 CCC1CC2=C(C=CC=C2)C(=O)N1 Z1218937099 [0,0,0,1,0,0|3,0,0]=4 73 B14R2.1019 CCN1CC(=O)C2=C(C1)C=CC=C2 Z4053135938 [0,0,0,1,0,0|3,0,0]=4 74 B14R2.9513 O=C(O)C1=C(C=CC=C1)OC2CC2 Z1255375233 [0,0,0,1,0,0|1,1,0]=3 75 B14R2.9532 O=C(O)C1=C(C=CC=C1)C2CCC2 Z1262557098 [0,0,0,1,0,0|2,0,0]=3 76 B14R2.31359 O=C(O)C1=C2CCCCC2=CC=C1 Z1198156984 [0,0,0,1,0,0|2,0,0]=3 77 B14R2.31359 O=C(O)C1=C2CCCCC2=CN=C1 Z1198235032 [0,0,0,1,0,0|3,0,0]=4 78 B14R2.31359 O=C(O)C1=C2CCCNC2=CC=C1 Z221528972 [0,0,0,1,0,0|3,0,0]=4 79 B14R2.31359 O=C(O)C1=C2CCNCC2=CC=C1 Z1665033336 [0,0,0,1,0,0|3,0,0]=4 80 B14R2.31359 O=C(O)C1=C2CNCCC2=CC=C1 Z2679868750 [0,0,0,1,0,0|2,0,0]=3 81 B14R2.31359 O=C(O)C1=C2CNCCC2=CC=N1 Z3682508781 [0,0,0,1,0,0|3,0,0]=4 82 B14R2.31359 O=C(O)C1=C2COCCC2=CC=C1 Z1416187975 [0,0,0,1,0,0|2,0,0]=3 83 B14R2.31359 O=C(O)C1=C2OCCCC2=CC=C1 Z1201626365 [0,0,0,1,0,0|1,1,0]=3 84 B14R2.31359 O=C(O)C1=C2OCCNC2=CC=C1 Z1695926084 [0,0,0,1,0,0|2,1,0]=4 85 B14R2.31359 O=C(O)C1=C2SCCCC2=CC=C1 Z1551926859 [0,0,0,1,0,0|1,0,0]=2 86 B11R1.17 CCCOC1=C(C=CC=C1)O Z55993120 [2,0,0,0,0,0|1,1,0]=4 87 B11R1.41 CCNC1=C(C=CC=C1)C=O Z1203746444 [2,0,0,0,0,0|1,0,0]=3 88 B11R1.41 CCOC1=C(C=CC=C1)C=O Z53833343 [2,0,0,0,0,0|0,1,0]=3 89 B11R1.41 COCC1=C(C=CC=C1)C=O Z1266890219 [2,0,0,0,0,0|2,0,0]=4 90 B11R1.41 O=CC1=C(C=CC=C1)CCCl Z420006804 [2,0,0,0,0,0|2,0,0]=4 91 B11R1.53 CCC1=C(C=CC=C1)B(O)O Z336080172 [2,0,0,0,0,0|1,0,1]=4 92 B11R1.53 CCC1=C(C=CC=C1)C(=O)N Z1203580417 [2,0,0,0,0,0|1,0,0]=3 93 B11R1.53 CCC1=C(C=CC=C1)C(=O)O Z979777146 [2,0,0,0,0,0|0,0,0]=2 94 B11R1.53 CCC1=C(C=CC=N1)C(=O)O Z5499572051 [2,0,0,0,0,0|1,0,0]=3 95 B11R1.53 CCC1=C(C=CN=C1)C(=O)C Z1255359582 [2,0,0,0,0,0|2,0,0]=4 96 B11R1.53 CCC1=C(C=CN=C1)C(=O)O Z1551475975 [2,0,0,0,0,0|1,0,0]=3 97 B11R1.53 CCC1=C(C=NC=N1)C(=O)O Z444878406 [2,0,0,0,0,0|2,0,0]=4 98 B11R1.53 CCC1=C(N=CC=C1)C(=O)O Z1558209672 [2,0,0,0,0,0|1,0,0]=3 99 B11R1.53 CCC1=C(N=CC=N1)C(=O)O Z1551935457 [2,0,0,0,0,0|2,0,0]=4 100 B11R1.53 CNC1=C(C=CC=C1)C(=O)N Z56947598 [2,0,0,0,0,0|2,0,0]=4 101 B11R1.53 CNC1=C(C=CC=C1)C(=O)O Z56941087 [2,0,0,0,0,0|1,0,0]=3 102 B11R1.53 CNC1=C(C=CC=N1)C(=O)O Z71177490 [2,0,0,0,0,0|2,0,0]=4 103 B11R1.53 CNC1=C(C=CN=C1)C(=O)O Z1473282233 [2,0,0,0,0,0|2,0,0]=4 104 B11R1.53 COC1=C(C=CC=C1)C(=O)N Z33546468 [2,0,0,0,0,0|1,1,0]=4 105 B11R1.53 COC1=C(C=CC=C1)C(=O)O Z57127524 [2,0,0,0,0,0|0,1,0]=3 106 B11R1.53 COC1=C(C=CC=N1)C(=O)O Z71179597 [2,0,0,0,0,0|1,1,0]=4 107 B11R1.53 COC1=C(C=CN=C1)C(=O)O Z1198172204 [2,0,0,0,0,0|1,1,0]=4 108 B11R1.53 COC1=C(C=NC=C1)C(=O)O Z1198164403 [2,0,0,0,0,0|1,1,0]=4 109 B11R1.53 COC1=C(N=CC=C1)C(=O)O Z808643216 [2,0,0,0,0,0|1,1,0]=4 110 B11R1.53 CSC1=C(C=CC=C1)B(O)O Z381540876 [2,0,0,0,0,0|1,0,1]=4 111 B11R1.53 CSC1=C(C=CC=C1)C(=O)C Z732207820 [2,0,0,0,0,0|1,0,0]=3 112 B11R1.53 CSC1=C(C=CC=C1)C(=O)O Z56921447 [2,0,0,0,0,0|0,0,0]=2 113 B11R1.53 CSC1=C(C=CC=C1)C(C)O Z1157829809 [2,0,0,0,0,0|1,0,1]=4 114 B11R1.53 CSC1=C(C=CC=N1)C(=O)O Z104479350 [2,0,0,0,0,0|1,0,0]=3 115 B11R1.53 CSC1=C(N=CC=C1)C(=O)O Z1262521288 [2,0,0,0,0,0|1,0,0]=3 116 B11R1.53 CSC1=C(N=CC=N1)C(=O)O Z995154340 [2,0,0,0,0,0|2,0,0]=4 117 B11R1.53 NCC1=C(N=CC=C1)C(=O)O Z5490316769 [2,0,0,0,0,0|2,0,0]=4 118 B11R1.53 NNC1=C(C=CC=C1)C(=O)O Z56827064 [2,0,0,0,0,0|2,0,0]=4 119 B11R1.53 O=C(O)C1=C(C=CC=C1)CO Z425446262 [2,0,0,0,0,0|1,0,0]=3 120 B11R1.53 O=CC1=C(C=CC=C1)C(=O)O Z104478340 [2,0,0,0,0,0|1,0,1]=4 121 B13R1.73 CCCOC1=C(C=C(C=C1)Br)C=O Z53834337 [1,1,0,0,0,0|1,1,0]=4 122 B13R1.84 CCCCOC1=C(C=CC=C1)C=O Z57887827 [1,1,0,0,0,0|1,1,0]=4 123 B13R1.84 COCCOC1=C(C=CC=C1)C=O Z242062694 [1,1,0,0,0,0|1,1,0]=4 124 B13R1.90 CC(C)CCC1=C(C=CC=C1)C=O Z1511909179 [1,1,0,0,0,0|2,0,0]=4 125 B13R1.90 CC(C)COC1=C(C=CC=C1)C=O Z53833346 [1,1,0,0,0,0|1,1,0]=4 126 B13R1.464 CCNC(=O)C1=C(C=CC=C1)C=O Z1068186392 [1,1,0,0,0,0|2,0,0]=4 127 B13R1.141 CCNC1=C(C=C(C=C1)C)C(=O)O Z111833880 [1,1,0,0,0,0|1,0,0]=3 128 B13R1.141 CCNC1=C(C=C(C=C1)Cl)C(=O)O Z838078476 [1,1,0,0,0,0|1,0,0]=3 129 B13R1.141 CCOC1=C(C=C(C=C1)Cl)C(=O)C Z54531341 [1,1,0,0,0,0|1,1,0]=4 130 B13R1.141 CCOC1=C(C=C(C=C1)Cl)C(=O)N Z111427988 [1,1,0,0,0,0|1,1,0]=4 131 B13R1.141 CCSC1=C(C=C(C=C1)Cl)C(=O)O Z838079200 [1,1,0,0,0,0|0,0,0]=2 132 B13R1.356 CCOC1=C(C=CC(=C1)Cl)C(=O)O Z149256332 [1,1,0,0,0,0|0,1,0]=3 133 B13R1.356 CCOC1=C(C=CC(=N1)C)C(=O)O Z995146752 [1,1,0,0,0,0|1,1,0]=4 134 B13R1.356 CCSC1=C(C=CC(=C1)Cl)C(=O)O Z1082852824 [1,1,0,0,0,0|0,0,0]=2 135 B13R1.382 CCNC1=C(C=CC=C1)C(=O)OC Z111833748 [1,1,0,0,0,0|1,0,0]=3 136 B13R1.382 CCOC1=C(C=CC=C1)C(=O)NC Z68248409 [1,1,0,0,0,0|1,1,0]=4 137 B13R1.382 CNCC1=C(C=CC=C1)C(=O)OC Z1268152318 [1,1,0,0,0,0|2,0,0]=4 138 B13R1.382 COC(=O)C1=C(C=CC=C1)CCN Z2901974789 [1,1,0,0,0,0|2,0,0]=4 139 B13R1.547 CCS(=O)C1=C(C=CC=C1)C(=O)O Z85923150 [1,1,0,0,0,0|0,0,1]=3 140 B13R1.547 COC(=O)C1=C(C=CC=C1)C(=O)O Z1080376828 [1,1,0,0,0,0|2,0,0]=4 141 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)O Z104474430 [1,1,0,0,0,0|0,1,1]=4 142 B13R1.589 CC(C)CC1=C(C=CC=C1)C(=O)O Z1171157982 [1,1,0,0,0,0|1,0,0]=3 143 B13R1.589 CC(C)NC1=C(C=CC=C1)C(=O)O Z111833802 [1,1,0,0,0,0|1,0,0]=3 144 B13R1.589 CC(C)NC1=C(C=CC=N1)C(=O)O Z71176798 [1,1,0,0,0,0|2,0,0]=4 145 B13R1.589 CC(C)OC1=C(C=CC=C1)C(=O)O Z227714380 [1,1,0,0,0,0|0,1,0]=3 146 B13R1.589 CC(C)OC1=C(C=CC=N1)C(=O)O Z285179440 [1,1,0,0,0,0|1,1,0]=4 147 B13R1.589 CC(C)OC1=C(C=CN=C1)C(=O)O Z1450951933 [1,1,0,0,0,0|1,1,0]=4 148 B13R1.589 CC(C)OC1=C(N=CC=C1)C(=O)O Z808643224 [1,1,0,0,0,0|1,1,0]=4 149 B13R1.589 CC(C)SC1=C(C=CC=C1)C(=O)O Z147642722 [1,1,0,0,0,0|0,0,0]=2 150 B13R1.589 CC(C)SC1=C(C=CC=N1)C(=O)O Z425485058 [1,1,0,0,0,0|1,0,0]=3 151 B13R1.589 CN(C)CC1=C(C=CC=C1)C(=O)O Z763367814 [1,1,0,0,0,0|2,0,0]=4 152 B13R1.589 O=C(O)C1=C(C=CC=C1)OC(F)F Z56946844 [1,1,0,0,0,0|1,1,0]=4 153 B13R1.589 O=C(O)C1=C(C=CC=C1)SC(F)F Z57046945 [1,1,0,0,0,0|1,0,0]=3 154 B13R1.589 O=C(O)C1=C(N=CC=C1)SC(F)F Z85937426 [1,1,0,0,0,0|2,0,0]=4 155 B13R1.2897 CCOC1=C(C(=CC=N1)C)C(=O)O Z1471021487 [1,1,0,0,0,0|1,1,0]=4 156 B13R1.4012 CCOC1=C(C=CC=C1F)C(=O)O Z994470774 [1,1,0,0,0,0|0,1,0]=3 157 B15R1.559 CCCCSC1=C(C=C(C=C1)Cl)C(=O)O Z838079226 [0,2,0,0,0,0|1,0,0]=3 158 B15R1.559 COCCOC1=C(C=C(C=C1)Cl)C(=O)O Z286108646 [0,2,0,0,0,0|1,1,0]=4 159 B15R1.2996 CCC(=O)NC1=C(C=C(C=C1)C)C(=O)O Z316093494 [0,2,0,0,0,0|2,0,0]=4 160 B15R1.2996 CCC(=O)NC1=C(C=C(C=C1)N)C(=O)O Z1094762916 [0,2,0,0,0,0|2,0,0]=4 161 B15R1.8415 CC(C)COC1=C(C=C(C=C1)Cl)C(=O)O Z118459072 [0,2,0,0,0,0|1,1,0]=4 162 B15R1.1343 CCC(=O)N(C)C1=C(C=CC=C1)C(=O)O Z224209256 [0,2,0,0,0,0|2,0,0]=4 163 B15R1.3598 CCCS(=O)(=O)C1=C(C=CC=C1)C(=O)O Z295402594 [0,2,0,0,0,0|1,0,1]=4 164 B15R1.1191 CCCCNC1=C(C=CC=C1)C(=O)OC Z54131031 [0,2,0,0,0,0|2,0,0]=4 165 B15R1.241 CCCCCNC1=C(C=CC=C1)C(=O)O Z111833888 [0,2,0,0,0,0|2,0,0]=4 166 B15R1.241 CCOCCOC1=C(C=CC=C1)C(=O)O Z118458592 [0,2,0,0,0,0|1,1,0]=4 167 B15R1.1108 CNC(=O)CSC1=C(C=CC=C1)C(=O)O Z55950835 [0,2,0,0,0,0|1,0,1]=4 168 B15R1.1274 CNCC(=O)NC1=C(C=CC=C1)C(=O)O Z55928897 [0,2,0,0,0,0|2,0,0]=4 169 B15R1.8882 CC(=CCSC1=C(C=CC=C1)C(=O)O)C Z118460042 [0,2,0,0,0,0|1,0,1]=4 170 B15R1.8882 CN(C)CCOC1=C(C=CC=C1)C(=O)O Z425389732 [0,2,0,0,0,0|1,1,0]=4 171 B15R1.7707 CCS(=O)(=O)NC1=C(C=CC=C1)C(=O)O Z53825031 [0,2,0,0,0,0|2,0,0]=4 172 B15R1.40363 CCC(=O)NC1=C(C=CC=C1C)C(=O)O Z224184044 [0,2,0,0,0,0|2,0,0]=4 173 B15R1.508 O=C(O)C1=C(C=CC=C1)SCC(F)(F)F Z239951682 [0,2,0,0,0,0|2,0,0]=4 174 B13R2.32 CC1CCC2=C(C1=O)C=CC=C2 Z854043700 [1,0,0,1,0,0|2,0,0]=4 175 B13R2.32 CC1CNC2=C(C1=O)C=CC=C2 Z1262564894 [1,0,0,1,0,0|2,0,0]=4 176 B13R2.32 CC1CSC2=C(C1=O)C=CC=C2 Z431542460 [1,0,0,1,0,0|1,0,0]=3 177 B13R2.32 NC1CSC2=C(C1=O)C=CC=C2 Z3243691901 [1,0,0,1,0,0|2,0,0]=4 178 B13R2.621 O=CC1=C(C=CC=C1)OC2CC2 Z1255501203 [1,0,0,1,0,0|1,1,0]=4 179 B13R2.1613 O=CC1=C2CCCCC2=CC=C1 Z1255463357 [1,0,0,1,0,0|2,0,0]=4 180 B13R2.1613 O=CC1=C2COCCC2=CC=C1 Z1813094008 [1,0,0,1,0,0|2,0,0]=4 181 B13R2.1613 O=CC1=C2NCCCC2=CC=C1 Z2684418729 [1,0,0,1,0,0|2,0,0]=4 182 B13R2.2528 O=CC1=C(C=CC=C1)C2CCC2 Z1741900951 [1,0,0,1,0,0|2,0,0]=4 183 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 Z56922160 [1,0,0,1,0,0|2,0,0]=4 184 B13R2.5252 O=C1CCCOC2=C1C=CC=C2 Z382721394 [1,0,0,1,0,0|1,1,0]=4 185 B13R2.5252 O=C1CCCSC2=C1C=CC=C2 Z384973676 [1,0,0,1,0,0|1,0,0]=3 186 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 Z1255372525 [1,0,0,1,0,0|2,0,0]=4 187 B13R2.5252 O[C@@H]1CCCSC2=C1C=CC=C2 Z1436075942 [1,0,0,1,0,0|1,0,1]=4 188 B13R2.5252 O[C@H]1CCCSC2=C1C=CC=C2 Z1436075943 [1,0,0,1,0,0|1,0,1]=4 189 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 Z96091926 [1,0,0,1,0,0|1,0,1]=4 190 B13R2.328 CC1CC(=O)C2=C(S1)C=CC=C2 Z431537760 [1,0,0,1,0,0|1,0,0]=3 191 B13R2.328 CC1CC2=C(C=CC=C2)C(=O)N1 Z1218937049 [1,0,0,1,0,0|2,0,0]=4 192 B13R2.5514 O=C(O)C1=C(C=CC=C1)C2CC2 Z992239744 [1,0,0,1,0,0|1,0,0]=3 193 B13R2.5514 O=C(O)C1=C(C=CC=N1)C2CC2 Z3770261114 [1,0,0,1,0,0|2,0,0]=4 194 B13R2.5569 NC(=O)C1=C2OCCC2=CC=C1 Z1262683459 [1,0,0,1,0,0|1,1,0]=4 195 B13R2.5569 O=C(O)C1=C2CCCC2=CN=C1 Z2311244172 [1,0,0,1,0,0|2,0,0]=4 196 B13R2.5569 O=C(O)C1=C2CCCC2=NC=C1 Z1198305295 [1,0,0,1,0,0|2,0,0]=4 197 B13R2.5569 O=C(O)C1=C2CCNC2=CC=C1 Z2906281204 [1,0,0,1,0,0|2,0,0]=4 198 B13R2.5569 O=C(O)C1=C2CCOC2=CC=C1 Z1198272391 [1,0,0,1,0,0|2,0,0]=4 199 B13R2.5569 O=C(O)C1=C2NCCC2=CC=C1 Z1198341662 [1,0,0,1,0,0|1,0,0]=3 200 B13R2.5569 O=C(O)C1=C2OCCC2=CC=C1 Z1201620458 [1,0,0,1,0,0|0,1,0]=3 201 B13R2.5569 O=C(O)C1=C2OCOC2=CC=C1 Z553832512 [1,0,0,1,0,0|1,1,0]=4 202 B13R2.5569 O=C(O)C1=C2SC=CC2=CC=C1 Z1201624703 [1,0,0,1,0,0|0,0,2]=4 203 B13R2.5569 O=C(O)C1=C2SC=NC2=CC=C1 Z1255417294 [1,0,0,1,0,0|1,0,1]=4 204 B13R2.5569 O=C(O)C1=C2SN=CC2=CC=C1 Z1255394056 [1,0,0,1,0,0|1,0,1]=4 205 B15R2.8 CC1=CSC2=C1C=CC=C2CC(=O)O Z2732884808 [0,0,0,1,0,1|1,0,1]=4 206 B15R2.1162 CC1COC2=C(C1C(=O)O)C=CC=C2 Z1661242457 [0,0,0,1,0,1|1,1,0]=4 207 B15R2.1853 CCC1=C(C2=C(O1)C=CC=C2)C(=O)O Z1065630270 [0,0,0,1,0,1|1,1,0]=4 208 B15R2.68122 O=C(O)CC1=C2SCCCC2=CC=C1 Z2732922290 [0,0,0,1,0,1|1,0,0]=3 209 B15R2.988 O=C(O)C1=C2CNCCC2=CC(=C1)F Z2503739113 [0,1,0,1,0,0|2,0,0]=4 210 B15R2.988 O=C(O)C1=C2NCCCC2=CC(=C1)F Z1862025575 [0,1,0,1,0,0|2,0,0]=4 211 B15R2.65880 CC1=CC(=C(C=C1)NC2CC2)C(=O)O Z992340338 [0,1,0,1,0,0|2,0,0]=4 212 B15R2.1221 O=C(O)C1=C(C=CC=C1)N2CCCC2 Z335440996 [0,1,0,1,0,0|2,0,0]=4 213 B15R2.14628 CC1=C2CCCNC2=C(C=C1)C(=O)O Z1862002737 [0,1,0,1,0,0|2,0,0]=4 214 B15R2.14628 NC1=C2CCCCC2=C(C=C1)C(=O)O Z1262519292 [0,1,0,1,0,0|2,0,0]=4 215 B15R2.14628 O=C(O)C1=C2CNCCC2=C(C=C1)F Z2575039693 [0,1,0,1,0,0|2,0,0]=4 216 B15R2.14628 O=C(O)C1=C2OCCCC2=C(C=C1)Br Z1269183599 [0,1,0,1,0,0|1,1,0]=4 217 B15R2.24 CCN1C=NC2=C1C=CC=C2C(=O)O Z5622179555 [0,1,0,1,0,0|2,0,0]=4 218 B15R2.13611 CN1CCOC2=C1C=CC=C2C(=O)O Z1262517109 [0,1,0,1,0,0|1,1,0]=4 219 B15R2.13611 NC1CCCC2=C1C=CC=C2C(=O)O Z4523518532 [0,1,0,1,0,0|2,0,0]=4 220 B15R2.16319 O=C(O)C1=C(C=CC=C1)OCC2CC2 Z335441616 [0,1,0,1,0,0|1,1,0]=4 221 B15R2.16320 O=C(O)C1=C(C=CC=C1)OC2CCC2 Z963456798 [0,1,0,1,0,0|1,1,0]=4 222 B15R2.69020 O=C(O)C1=C2CCCCCC2=CC=C1 Z1198179877 [0,1,0,1,0,0|2,0,0]=4 223 B15R2.69020 O=C(O)C1=C2CNCCOC2=CC=C1 Z3033662367 [0,1,0,1,0,0|2,0,0]=4 224 B15R2.69020 O=C(O)C1=C2COCCNC2=CC=C1 Z3905764018 [0,1,0,1,0,0|2,0,0]=4 225 B15R2.69020 O=C(O)C1=C2OCCCOC2=CC=C1 Z1198163140 [0,1,0,1,0,0|1,1,0]=4 226 B15R2.69020 O=C(O)C1=C2OCCNCC2=CC=C1 Z2895735982 [0,1,0,1,0,0|1,1,0]=4 227 B15R2.7268 O=C1CCC2=CC=CC(=C2C1)C(=O)O Z1486004796 [0,1,0,1,0,0|2,0,0]=4 228 B15R2.45730 CC1OC2=C(C=CC=C2C1C)C(=O)O Z133382192 [0,1,0,1,0,0|1,1,0]=4 229 B15R2.69035 CC1(COC2=C(C=CC=C12)C(=O)O)C Z1262519470 [0,1,0,1,0,0|1,1,0]=4 230 B11R1.193 CCCC1=C(C=CN1)C(=O)O Z1813087582 [1,0,0,0,1,0|2,0,0]=4 231 B11R1.193 CCCC1=C(C=CO1)C(=O)O Z1262532308 [1,0,0,0,1,0|2,0,0]=4 232 B11R1.193 CCOC1=C(C=CS1)C(=O)O Z1262555526 [1,0,0,0,1,0|1,1,0]=4 233 B11R1.193 CCOC1=C(SC=C1)C(=O)O Z1124714289 [1,0,0,0,1,0|1,1,0]=4 234 B13R1.568 CCCOC1=CC(=CC=C1)C(=O)O Z111782536 [0,0,0,0,1,1|1,1,0]=4 235 B13R1.568 CCCSC1=CC(=CC=C1)C(=O)O Z1201631482 [0,0,0,0,1,1|1,0,0]=3 236 B15R1.1051 CCCOC1=C(C=CC=C1)OCC(=O)O Z56978029 [0,0,0,0,0,2|1,1,0]=4