0 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)N)F Z101185926 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)Cl Z2311776784 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)F Z2312274789 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)O Z2693271860 [0,0,0,0,0,0|0,0,0]=0 4 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)C)O Z1268633028 [0,0,0,0,0,0|1,0,2]=3 5 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Br Z303635158 [0,0,0,0,0,0|1,0,2]=3 6 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Cl Z235345357 [0,0,0,0,0,0|1,0,2]=3 7 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)N Z1251354132 [0,0,0,0,0,0|1,0,2]=3 8 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)O Z317038026 [0,0,0,0,0,0|0,0,2]=2 9 B14R1.3653 COC1=C(C=C(C=C1)OCC(=O)O)C Z1430609738 [0,0,0,0,0,0|2,0,1]=3 10 B14R1.3653 COC1=COC(=CC1=O)/C=C/C(=O)O Z2065904035 [0,0,0,0,0,0|1,0,1]=2 11 B13R1.3 CCC1=CC=C(C=C1)/C=C/C(=O)O Z2942851866 [1,0,0,0,0,0|1,0,0]=2 12 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)O Z85929397 [1,0,0,0,0,0|1,0,2]=4 13 B13R1.3 CCC1=CC=C(C=C1)OCC(=O)O Z56824185 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O Z56931888 [1,0,0,0,0,0|0,0,0]=1 15 B13R1.3 COC1=CC=C(C=C1)/C=C/[N+](=O)[O-] Z56755542 [1,0,0,0,0,0|1,0,1]=3 16 B13R1.3 COC1=CC=C(C=C1)C#CC(=O)O Z57100824 [1,0,0,0,0,0|0,0,2]=3 17 B13R1.3 COC1=CC=C(C=C1)CCC(=O)N Z33545386 [1,0,0,0,0,0|1,0,2]=4 18 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O Z104486868 [1,0,0,0,0,0|0,0,2]=3 19 B13R1.3 COC1=CC=C(C=C1)CNC(=O)N Z198194812 [1,0,0,0,0,0|2,0,1]=4 20 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O Z57229609 [1,0,0,0,0,0|1,0,1]=3 21 B13R1.3 COC1=CC=C(C=C1)SCC(=O)N Z51312064 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.3 COC1=CC=C(C=C1)SCC(=O)O Z56770877 [1,0,0,0,0,0|1,0,1]=3 23 B13R1.3 COC1=CN=C(C=C1)/C=C/C(=O)O Z1815157394 [1,0,0,0,0,0|1,0,0]=2 24 B13R1.3 COC1=NC=C(C=C1)CCC(=O)O Z1255504957 [1,0,0,0,0,0|1,0,2]=4 25 B13R1.3 COC1=NC=C(C=N1)/C=C/C(=O)O Z2887852697 [1,0,0,0,0,0|2,0,0]=3 26 B13R1.3 CSC1=CC=C(C=C1)/C=C/C(=O)O Z2895087258 [1,0,0,0,0,0|0,1,0]=2 27 B13R1.3 CSC1=CC=C(C=C1)CCC(=O)O Z363916360 [1,0,0,0,0,0|0,1,2]=4 28 B13R1.3 N#CC1=CC=C(C=C1)/C=C/C(=O)N Z33546125 [1,0,0,0,0,0|3,0,0]=4 29 B13R1.3 N#CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851604 [1,0,0,0,0,0|2,0,0]=3 30 B13R1.3 O=CC1=CC=C(C=C1)/C=C/C(=O)O Z1255434745 [1,0,0,0,0,0|2,0,0]=3 31 B13R1.511 CC1=C(C=C(C=C1)/C=C/C(=O)O)Cl Z2417572386 [1,0,0,0,0,0|1,0,0]=2 32 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C Z445853388 [1,0,0,0,0,0|1,0,2]=4 33 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Cl Z185153284 [1,0,0,0,0,0|1,0,2]=4 34 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)O)C Z56820874 [1,0,0,0,0,0|2,0,1]=4 35 B13R1.511 CC1=C(C=C(C=C1)SCC(=O)O)C Z55903758 [1,0,0,0,0,0|2,0,1]=4 36 B13R1.511 CC1=C(C=CC(=C1)/C=C/C(=O)O)Br Z1269121998 [1,0,0,0,0,0|2,0,0]=3 37 B13R1.511 CC1=C(C=CC(=C1)/C=C/C(=O)O)F Z2311791362 [1,0,0,0,0,0|2,0,0]=3 38 B13R1.511 CC1=C(N=CC(=C1)/C=C/C(=O)O)N Z1483991924 [1,0,0,0,0,0|3,0,0]=4 39 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)Br)Cl Z2942851660 [1,0,0,0,0,0|2,0,0]=3 40 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)Cl)Cl Z56895731 [1,0,0,0,0,0|2,0,0]=3 41 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)F)Cl Z2942852367 [1,0,0,0,0,0|2,0,0]=3 42 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)F)F Z2942853625 [1,0,0,0,0,0|2,0,0]=3 43 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)O)O Z240113804 [1,0,0,0,0,0|0,0,0]=1 44 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)Cl Z839165388 [1,0,0,0,0,0|1,0,2]=4 45 B13R1.577 COC1=C(C=C(C=C1)CCC=O)C Z2311407327 [1,0,0,0,0,0|1,0,2]=4 46 B13R1.577 COC1=C(C=C(C=C1)CCC=O)F Z993017856 [1,0,0,0,0,0|1,0,2]=4 47 B15R1.3776 COC1=C(C=C(C=C1)C(N)CC(=O)O)Br Z729249850 [0,1,0,0,0,0|1,0,2]=4 48 B15R1.3777 COC1=C(C=C(C=C1)/C=C(\C)/C(=O)O)F Z1341755742 [0,1,0,0,0,0|1,0,0]=2 49 B15R1.3777 COC1=C(C=C(C=C1)CC(C)C(=O)O)F Z756390470 [0,1,0,0,0,0|1,0,2]=4 50 B15R1.3779 CNC(=O)/C=C/C1=CC(=C(C=C1)OC)F Z100643592 [0,1,0,0,0,0|2,0,0]=3 51 B15R1.3779 COC(=O)CCC1=CC(=C(C=C1)OC)F Z210408074 [0,1,0,0,0,0|1,0,2]=4 52 B15R1.9550 CCOC1=C(C=C(C=C1)/C=C/C(=O)O)C Z1509725979 [0,1,0,0,0,0|1,0,0]=2 53 B15R1.12854 COC1=C(C=C(C=C1)/C=C/C(=O)O)OC Z2573653932 [0,1,0,0,0,0|0,0,0]=1 54 B15R1.12854 COC1=C(C=C(C=C1)/C=C/[N+](=O)[O-])OC Z56862728 [0,1,0,0,0,0|1,0,1]=3 55 B15R1.12854 COC1=C(C=C(C=C1)CCC(=O)O)OC Z57396496 [0,1,0,0,0,0|0,0,2]=3 56 B15R1.12854 COC1=C(C=C(C=C1)CNC(=O)C)OC Z26441089 [0,1,0,0,0,0|2,0,1]=4 57 B15R2.7688 CC(=O)CCC1=CC2=C(C=C1)OCO2 Z56795046 [0,0,0,1,0,0|1,0,2]=4 58 B15R2.7688 O=C(O)/C=C/C1=CC2=C(C=C1)NC=C2 Z1551463500 [0,0,0,1,0,0|2,0,1]=4 59 B15R2.7688 O=C(O)/C=C/C1=CC2=C(C=C1)OC=C2 Z1198181573 [0,0,0,1,0,0|1,0,1]=3 60 B15R2.7688 O=C(O)/C=C/C1=CC2=C(C=C1)OCC2 Z2942851993 [0,0,0,1,0,0|1,0,0]=2 61 B15R2.7688 O=C(O)/C=C/C1=CC2=C(C=C1)OCO2 Z56789057 [0,0,0,1,0,0|0,0,0]=1 62 B15R2.7688 O=C(O)C#CC1=CC2=C(C=C1)OCO2 Z1255435161 [0,0,0,1,0,0|0,0,2]=3 63 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 Z448237234 [0,0,0,1,0,0|1,0,2]=4 64 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCO2 Z185153432 [0,0,0,1,0,0|0,0,2]=3 65 B15R2.7688 O=[N+]([O-])/C=C/C1=CC2=C(C=C1)OCO2 Z3103063194 [0,0,0,1,0,0|1,0,1]=3 66 B13R1.35 CCC1=C(C=C(C=C1)CC(=O)O)F Z1551924486 [0,0,0,0,1,0|2,0,1]=4 67 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)Cl Z1205414415 [0,0,0,0,1,0|1,0,1]=3 68 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)F Z94598730 [0,0,0,0,1,0|1,0,1]=3 69 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)O Z1065613560 [0,0,0,0,1,0|0,0,1]=2 70 B15R1.3778 COC1=C(C=C(C=C1)/C=N/NC(=N)N)O Z204428696 [0,0,0,0,0,1|3,0,0]=4 71 B15R1.3778 COC1=C(C=C(C=C1)CCCC(=O)O)F Z425469884 [0,0,0,0,0,1|1,0,2]=4 72 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F Z1201619760 [2,0,0,0,0,0|2,0,0]=4 73 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851512 [2,0,0,0,0,0|0,0,0]=2 74 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [2,0,0,0,0,0|0,0,2]=4 75 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O Z56812739 [2,0,0,0,0,0|1,0,1]=4 76 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O Z55903478 [2,0,0,0,0,0|1,0,1]=4 77 B12R1.21 CC1=CN=C(C=C1)/C=C/C(=O)O Z1816507718 [2,0,0,0,0,0|1,0,0]=3 78 B12R1.21 CC1=NC=C(C=C1)/C=C/C(=O)O Z1815157396 [2,0,0,0,0,0|1,0,0]=3 79 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Br Z33545605 [2,0,0,0,0,0|2,0,0]=4 80 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O Z56762319 [2,0,0,0,0,0|1,0,0]=3 81 B12R1.21 NC1=NC=C(C=C1)/C=C/C(=O)O Z1374884316 [2,0,0,0,0,0|2,0,0]=4 82 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Br Z2237493681 [2,0,0,0,0,0|1,0,0]=3 83 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Cl Z56989206 [2,0,0,0,0,0|1,0,0]=3 84 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)F Z2942851074 [2,0,0,0,0,0|1,0,0]=3 85 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)O Z56911963 [2,0,0,0,0,0|0,0,0]=2 86 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)Cl Z1962225677 [2,0,0,0,0,0|2,0,0]=4 87 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)F Z2949503127 [2,0,0,0,0,0|2,0,0]=4 88 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [2,0,0,0,0,0|0,0,2]=4 89 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O Z57127481 [2,0,0,0,0,0|1,0,1]=4 90 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [2,0,0,0,0,0|1,0,1]=4 91 B12R1.21 O=C(O)CSC1=CC=C(C=C1)O Z733878444 [2,0,0,0,0,0|1,0,1]=4 92 B12R1.71 CCC1=CC=C(C=C1)/C=C/CO Z1913661008 [2,0,0,0,0,0|1,0,1]=4 93 B12R1.71 COC1=CC=C(C=C1)CCC=O Z1079442590 [2,0,0,0,0,0|0,0,2]=4 94 B12R1.71 COC1=CC=C(C=C1)SCC=O Z854102788 [2,0,0,0,0,0|1,0,1]=4 95 B12R1.71 N#CC1=CC=C(C=C1)/C=C/C=O Z2240804591 [2,0,0,0,0,0|2,0,0]=4 96 B12R1.226 CC1=CC(=CC=C1)/C=C/C(=O)O Z2942851787 [2,0,0,0,0,0|1,0,0]=3 97 B12R1.226 CC1=CC(=CN=C1)/C=C/C(=O)O Z1473962891 [2,0,0,0,0,0|2,0,0]=4 98 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O Z2942853438 [2,0,0,0,0,0|1,0,0]=3 99 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Br Z2312942093 [2,0,0,0,0,0|1,0,0]=3 100 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Cl Z2573655238 [2,0,0,0,0,0|1,0,0]=3 101 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)F Z2935925467 [2,0,0,0,0,0|1,0,0]=3 102 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)O Z247613734 [2,0,0,0,0,0|0,0,0]=2 103 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)F Z2587702979 [2,0,0,0,0,0|2,0,0]=4 104 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)O Z1518653071 [2,0,0,0,0,0|1,0,0]=3 105 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)Br Z1269228386 [2,0,0,0,0,0|2,0,0]=4 106 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)Cl Z1255503510 [2,0,0,0,0,0|2,0,0]=4 107 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)O Z2633787192 [2,0,0,0,0,0|1,0,0]=3 108 B12R1.226 O=C(O)/C=C/C1=NC(=CC=C1)Cl Z1255503511 [2,0,0,0,0,0|2,0,0]=4 109 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [2,0,0,0,0,0|0,0,2]=4 110 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [2,0,0,0,0,0|1,0,1]=4 111 B12R1.385 O=C/C=C/C1=CC(=C(C=C1)Cl)Cl Z1269224361 [2,0,0,0,0,0|2,0,0]=4 112 B12R1.385 O=C/C=C/C1=CC(=C(C=C1)F)F Z1255405037 [2,0,0,0,0,0|2,0,0]=4 113 B12R1.288 COC1=C(C=C(C=C1)CCO)O Z1198339386 [2,0,0,0,0,0|0,0,2]=4 114 B14R1.2 CCC1=CC=C(C=C1)/C(=C/C(=O)O)/C Z2587768559 [1,1,0,0,0,0|1,0,0]=3 115 B14R1.2 COC1=CC=C(C=C1)/C(=C/C(=O)O)/C Z352747052 [1,1,0,0,0,0|0,0,0]=2 116 B14R1.2 COC1=CC=C(C=C1)C(=O)CC(=O)C Z359504404 [1,1,0,0,0,0|1,0,1]=4 117 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)O Z352782172 [1,1,0,0,0,0|0,0,2]=4 118 B14R1.2 COC1=CC=C(C=C1)C(N)CC(=O)O Z147647160 [1,1,0,0,0,0|0,0,2]=4 119 B14R1.3 COC1=CC=C(C=C1)CC(C)C(=O)O Z513659616 [1,1,0,0,0,0|0,0,2]=4 120 B14R1.3 COC1=CC=C(C=C1)CC(O)C(=O)O Z1198174222 [1,1,0,0,0,0|0,0,2]=4 121 B14R1.3 COC1=CC=C(C=C1)NC(=O)C(=O)O Z90122504 [1,1,0,0,0,0|1,0,0]=3 122 B14R1.3 COC1=CC=C(C=C1)OC(C)C(=O)O Z57825367 [1,1,0,0,0,0|1,0,1]=4 123 B14R1.3 COC1=CC=C(C=C1)SC(C)C(=O)O Z149354266 [1,1,0,0,0,0|1,0,1]=4 124 B14R1.5 COC(=O)/C=C/C1=CC=C(C=C1)C=O Z1198151451 [1,1,0,0,0,0|2,0,0]=4 125 B14R1.5 COC1=CC=C(C=C1)CCC(=O)NO Z59183016 [1,1,0,0,0,0|0,0,2]=4 126 B14R1.103 COC1=CC(=C(C=C1)/C=C/C(=O)O)C Z3033961334 [1,1,0,0,0,0|0,0,0]=2 127 B14R1.103 COC1=CC(=C(C=C1)CCC(=O)O)Br Z1269115366 [1,1,0,0,0,0|0,0,2]=4 128 B14R1.142 CCOC1=CC=C(C=C1)/C=C/B(O)O Z1198166523 [1,1,0,0,0,0|1,0,1]=4 129 B14R1.142 CCOC1=CC=C(C=C1)/C=C/C(=O)N Z33546127 [1,1,0,0,0,0|1,0,0]=3 130 B14R1.142 CCOC1=CC=C(C=C1)/C=C/C(=O)O Z2315575657 [1,1,0,0,0,0|0,0,0]=2 131 B14R1.142 CCOC1=CC=C(C=C1)CCC(=O)O Z317037950 [1,1,0,0,0,0|0,0,2]=4 132 B14R1.142 CCOC1=CC=C(C=C1)OCC(=O)O Z56896865 [1,1,0,0,0,0|1,0,1]=4 133 B14R1.142 CCOC1=CC=C(C=C1)SCC(=O)O Z57983012 [1,1,0,0,0,0|1,0,1]=4 134 B14R1.419 CC(=O)/C=C/C1=CC=C(C=C1)N(C)C Z234853610 [1,1,0,0,0,0|2,0,0]=4 135 B14R1.419 CC(C)C1=CC=C(C=C1)/C=C/C(=O)O Z2311574705 [1,1,0,0,0,0|1,0,0]=3 136 B14R1.419 CN(C)C1=CC=C(C=C1)/C=C/C(=O)O Z2942851546 [1,1,0,0,0,0|1,0,0]=3 137 B14R1.419 NC(=O)C1=CC=C(C=C1)/C=C/C(=O)O Z2312402372 [1,1,0,0,0,0|2,0,0]=4 138 B14R1.419 O=C(O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-] Z56845264 [1,1,0,0,0,0|2,0,0]=4 139 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(=O)O)F Z1201621929 [1,1,0,0,0,0|1,0,0]=3 140 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(=O)O)O Z56782558 [1,1,0,0,0,0|0,0,0]=2 141 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(C)O)O Z1513917280 [1,1,0,0,0,0|1,0,1]=4 142 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O Z317038020 [1,1,0,0,0,0|0,0,2]=4 143 B14R1.42 O=CC1=C(C=CC(=C1)/C=C/C(=O)O)O Z1198181572 [1,1,0,0,0,0|0,0,1]=3 144 B14R1.686 C/C(=C\C1=CC(=C(C=C1)F)F)/C(=O)O Z2757550092 [1,1,0,0,0,0|2,0,0]=4 145 B14R1.686 CC(CC1=CC(=C(C=C1)O)O)C(=O)O Z1198162859 [1,1,0,0,0,0|0,0,2]=4 146 B14R1.686 CC1=C(C=C(C=C1)NC(=O)C(=O)O)C Z57980332 [1,1,0,0,0,0|2,0,0]=4 147 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z756440064 [1,1,0,0,0,0|0,0,2]=4 148 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z1255419382 [1,1,0,0,0,0|0,0,2]=4 149 B14R1.833 COC(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl Z24142880 [1,1,0,0,0,0|2,0,0]=4 150 B14R1.6036 CC1=CC(=C(C=C1/C=C/C(=O)O)C)C Z363999626 [1,1,0,0,0,0|1,0,0]=3 151 B14R1.15552 O=C(O)/C=C/C1=CC(=C(C(=C1)F)F)F Z2942853536 [1,1,0,0,0,0|2,0,0]=4 152 B14R1.793 COC1=C(C=C(C=C1)/C=C/C=O)OC Z1251353086 [1,1,0,0,0,0|0,0,0]=2 153 B14R1.793 COC1=C(C=C(C=C1)CCC=O)OC Z1198182687 [1,1,0,0,0,0|0,0,2]=4 154 B14R1.2284 COC1=C(C=C(C(=C1)C)CC(=O)O)F Z3243603313 [0,1,0,0,1,0|1,0,1]=4 155 B14R1.2284 COC1=C(C=C(C(=C1)Cl)CC(=O)O)F Z3325825930 [0,1,0,0,1,0|1,0,1]=4 156 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)N)OC Z33546771 [0,1,0,0,1,0|1,0,1]=4 157 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)O)OC Z56924495 [0,1,0,0,1,0|0,0,1]=3 158 B14R1.3651 COC1=C(C=C(C=C1)NC(=O)C)OC Z30849291 [0,1,0,0,1,0|2,0,0]=4 159 B14R1.3652 COC1=C(C=C(C=C1)C(=O)C(=O)O)Cl Z381360832 [0,1,0,0,1,0|1,0,0]=3 160 B14R1.3652 COC1=C(C=C(C=C1)C(C)C(=O)O)F Z792377220 [0,1,0,0,1,0|1,0,1]=4 161 B14R1.3652 COC1=C(C=C(C=C1)C(N)C(=O)O)F Z1198160556 [0,1,0,0,1,0|1,0,1]=4 162 B14R1.3652 COC1=C(C=C(C=C1)C(O)C(=O)O)Br Z788000944 [0,1,0,0,1,0|1,0,1]=4 163 B14R1.12535 COC1=C(C=C(C=C1Br)CC(=O)O)Br Z1725937091 [0,1,0,0,1,0|1,0,1]=4 164 B16R1.4275 COC1=C(C=C(C=C1)CCCC(=O)O)OC Z336285962 [0,1,0,0,0,1|0,0,2]=4 165 B16R1.4275 COC1=C(C=C(C=C1)SCCC(=O)O)OC Z1238558898 [0,1,0,0,0,1|0,0,2]=4 166 B16R1.4296 COC1=C(C=C(C=C1)C(=O)CCC(=O)O)F Z425469558 [0,1,0,0,0,1|1,0,1]=4 167 B16R1.4296 COC1=C(C=C(C=C1)C(=O)NCC(=O)O)Cl Z85887344 [0,1,0,0,0,1|1,0,1]=4 168 B16R1.4273 COC1=C(C=C(C=C1)C(N)CC(=O)O)OC Z56895737 [0,2,0,0,0,0|0,0,2]=4 169 B16R1.4274 COC1=C(C=C(C=C1)CC(C)C(=O)O)OC Z1233159921 [0,2,0,0,0,0|0,0,2]=4 170 B16R1.4290 COC1=C(C=C(C=C1)/C=C(/C#N)\C(=O)N)Br Z44298762 [0,2,0,0,0,0|2,0,0]=4 171 B16R1.4290 COC1=C(C=C(C=C1)/C=C(/C#N)\C(=S)N)O Z44343117 [0,2,0,0,0,0|1,1,0]=4 172 B16R1.4276 COC(=O)/C=C/C1=CC(=C(C=C1)OC)OC Z18296037 [0,2,0,0,0,0|0,0,0]=2 173 B16R1.6703 O=C(O)/C=C/C1=CC(=C(C=C1)C(F)(F)F)O Z2313094859 [0,2,0,0,0,0|2,0,0]=4 174 B16R1.6700 CC1=C(C=CC(=C1)/C=C/C(=O)O)OC(C)C Z2607884028 [0,2,0,0,0,0|1,0,0]=3 175 B16R1.9381 CCOC1=C(C=C(C=C1)/C=C/C(=O)O)OC Z2315575629 [0,2,0,0,0,0|0,0,0]=2 176 B16R1.414 COC1=C(C(=CC(=C1)/C=C/C(=O)O)Cl)OC Z2312398330 [0,2,0,0,0,0|0,0,0]=2 177 B16R1.10273 CCOC1=C(C=CC(=C1)/C=C/C(=O)O)OC Z2312398438 [0,2,0,0,0,0|0,0,0]=2 178 B14R1.881 COC1=C(C=C(C(=C1)CC(=O)O)F)O Z1416167707 [0,0,1,1,0,0|1,0,1]=4 179 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 Z53852417 [1,0,0,1,0,0|0,0,0]=2 180 B14R2.92 COC1=C(C2=C(C=CC=C2)C=C1)I Z1269120774 [1,0,0,1,0,0|2,0,0]=4 181 B14R2.92 COC1=C(C2=C(C=CC=N2)C=C1)Br Z1269203738 [1,0,0,1,0,0|2,0,0]=4 182 B14R2.991 O=C/C=C/C1=CC2=C(C=C1)OCO2 Z1251353395 [1,0,0,1,0,0|0,0,0]=2 183 B14R2.1128 COC1=C(C=C2C=NC=CC2=C1)O Z381390846 [1,0,0,1,0,0|2,0,0]=4 184 B14R2.2167 COC1=C(C=C2CCC(=O)C2=C1)O Z1255432077 [1,0,0,1,0,0|0,0,2]=4 185 B14R2.1008 CC(=O)NC1=CC2=C(C=C1)OCO2 Z27647423 [0,0,0,1,1,0|2,0,0]=4 186 B14R2.1008 NC(=O)NC1=CC2=C(C=C1)OCO2 Z107732962 [0,0,0,1,1,0|2,0,0]=4 187 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 Z220565334 [0,0,0,1,1,0|1,0,1]=4 188 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCO2 Z274782846 [0,0,0,1,1,0|0,0,1]=3 189 B16R2.2280 COC1=C(C=C(C=C1)C2=NC(=CN2)O)Br Z1895742242 [0,0,0,1,0,1|2,0,0]=4 190 B16R2.27160 O=C(O)CNCC1=CC2=C(C=C1)OCO2 Z4873983046 [0,0,0,1,0,1|0,0,2]=4 191 B16R2.27160 O=C(O)COCC1=CC2=C(C=C1)OCO2 Z316259260 [0,0,0,1,0,1|0,0,2]=4 192 B16R2.41246 COC1=C(C=C2NC=C(C2=C1)C(=O)O)Cl Z1509565859 [0,0,0,1,0,1|1,0,0]=3 193 B16R2.7609 COC1=C(C2=C(C=C1)C=C(S2)C(=O)O)F Z2313746410 [0,1,0,1,0,0|1,0,0]=3 194 B16R2.7609 COC1=C(C2=C(C=C1)NC(=C2)C(=O)O)Cl Z2733251573 [0,1,0,1,0,0|2,0,0]=4 195 B16R2.11587 N[C@@H](CC(=O)O)C1=CC2=C(C=C1)OCO2 Z1270400001 [0,1,0,1,0,0|0,0,2]=4 196 B16R2.6257 NC(CC1=CC2=C(C=C1)OCO2)C(=O)O Z381429884 [0,1,0,1,0,0|0,0,2]=4 197 B16R2.1357 CNC(=O)/C=C/C1=CC2=C(C=C1)OCO2 Z32016815 [0,1,0,1,0,0|1,0,0]=3 198 B16R2.477 O=C(O)/C=C/C1=CC2=C(C=C1)CCOC2 Z3322167694 [0,1,0,1,0,0|1,0,0]=3 199 B16R2.477 O=C(O)/C=C/C1=CC2=C(C=C1)OCCO2 Z2942851901 [0,1,0,1,0,0|0,0,0]=2 200 B16R2.477 O=C(O)CCC1=CC2=C(C=C1)OCCO2 Z178955386 [0,1,0,1,0,0|0,0,2]=4 201 B16R2.477 O=C(O)CSC1=CC2=C(C=C1)OCCO2 Z55903767 [0,1,0,1,0,0|1,0,1]=4 202 B16R2.24931 NC(=O)/C=C/C1=CC(=C2OCOC2=C1)Cl Z82670310 [0,1,0,1,0,0|1,0,0]=3 203 B16R2.24931 O=C(O)/C=C/C1=CC(=C2OCOC2=C1)Cl Z2312401880 [0,1,0,1,0,0|0,0,0]=2 204 B16R2.1461 COC1=C(C=C2NC(=O)C=CC2=C1)OC Z1209414489 [0,1,0,1,0,0|1,0,0]=3 205 B16R2.1461 COC1=C(C=C2NC(=O)C=NC2=C1)OC Z979752442 [0,1,0,1,0,0|2,0,0]=4 206 B16R3.10840 O=C1C=CC2=C(O1)C=C3OC=CC3=C2 Z1201617131 [0,0,0,2,0,0|1,0,1]=4 207 B16R3.10840 O=C1C=CC2=C(O1)C=C3OCOC3=C2 Z1198183381 [0,0,0,2,0,0|0,0,0]=2 208 B12R1.4 CCC1=CC=C(C=C1)CC(=O)O Z274782844 [1,0,0,0,1,0|1,0,1]=4 209 B12R1.4 COC1=CC=C(C=C1)CC(=O)N Z33546648 [1,0,0,0,1,0|1,0,1]=4 210 B12R1.4 COC1=CC=C(C=C1)CC(=O)O Z104476074 [1,0,0,0,1,0|0,0,1]=3 211 B12R1.4 COC1=CC=C(C=C1)NC(=O)C Z28138902 [1,0,0,0,1,0|2,0,0]=4 212 B12R1.4 COC1=CC=C(C=C1)NC(=O)N Z56754681 [1,0,0,0,1,0|2,0,0]=4 213 B12R1.4 COC1=CC=C(C=C1)OC(=O)C Z30195429 [1,0,0,0,1,0|2,0,0]=4 214 B12R1.4 COC1=CN=C(C=C1)CC(=O)O Z1913661249 [1,0,0,0,1,0|1,0,1]=4 215 B12R1.4 CSC1=CC=C(C=C1)CC(=O)O Z1212966448 [1,0,0,0,1,0|0,1,1]=4 216 B12R1.59 CCC1=CC=C(O1)/C=C/C(=O)O Z2942852144 [1,0,0,0,1,0|2,0,0]=4 217 B12R1.59 CSC1=CC=C(S1)/C=C/C(=O)O Z1269142141 [1,0,0,0,1,0|1,1,0]=4 218 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)Br Z1269160930 [1,0,0,0,1,0|1,0,1]=4 219 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)C Z56923286 [1,0,0,0,1,0|1,0,1]=4 220 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)Cl Z1198264457 [1,0,0,0,1,0|1,0,1]=4 221 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)O Z1198166108 [1,0,0,0,1,0|0,0,1]=3 222 B12R1.19 CC1=C(C=CC(=C1)CC(=O)O)O Z1198169209 [1,0,0,0,1,0|1,0,1]=4 223 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)Cl Z1205411134 [1,0,0,0,1,0|1,0,1]=4 224 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)F Z1255445925 [1,0,0,0,1,0|1,0,1]=4 225 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)O Z1255438427 [1,0,0,0,1,0|0,0,1]=3 226 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)Cl Z1255376027 [0,0,0,0,2,0|2,0,0]=4 227 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)F Z1255438299 [0,0,0,0,2,0|2,0,0]=4 228 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)N Z1079174536 [0,0,0,0,2,0|2,0,0]=4 229 B12R1.48 CNC1=C(C=C(C=C1)C(=O)O)F Z995130308 [0,0,0,0,2,0|2,0,0]=4 230 B12R1.48 CNC1=C(C=C(C=C1)C(=O)O)N Z1945708092 [0,0,0,0,2,0|2,0,0]=4 231 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)Br Z57042009 [0,0,0,0,2,0|2,0,0]=4 232 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)C Z415732058 [0,0,0,0,2,0|2,0,0]=4 233 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)Cl Z331027654 [0,0,0,0,2,0|2,0,0]=4 234 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)F Z85921976 [0,0,0,0,2,0|2,0,0]=4 235 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)O Z1255365043 [0,0,0,0,2,0|1,0,0]=3 236 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)Br Z101186024 [0,0,0,0,2,0|2,0,0]=4 237 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)F Z87615059 [0,0,0,0,2,0|2,0,0]=4 238 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N Z239125322 [0,0,0,0,2,0|2,0,0]=4 239 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br Z57663652 [0,0,0,0,2,0|1,0,0]=3 240 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Cl Z57790676 [0,0,0,0,2,0|1,0,0]=3 241 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)F Z57169536 [0,0,0,0,2,0|1,0,0]=3 242 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)I Z57200689 [0,0,0,0,2,0|1,0,0]=3 243 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)N Z274783176 [0,0,0,0,2,0|1,0,0]=3 244 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O Z381356676 [0,0,0,0,2,0|0,0,0]=2 245 B12R1.48 COC1=C(C=C(C=N1)C(=O)O)Br Z1269152701 [0,0,0,0,2,0|2,0,0]=4 246 B12R1.48 COC1=C(N=C(C=C1)C(=O)O)Cl Z1198174178 [0,0,0,0,2,0|2,0,0]=4 247 B12R1.48 COC1=CNC(=CC1=O)C(=O)O Z1198280174 [0,0,0,0,2,0|1,0,1]=4 248 B12R1.48 COC1=COC(=CC1=O)C(=O)O Z1198280173 [0,0,0,0,2,0|1,0,1]=4 249 B12R1.48 N#CC1=C(C=C(C=C1)C(=O)O)O Z1255367441 [0,0,0,0,2,0|2,0,0]=4 250 B12R1.48 NCC1=C(C=C(C=C1)C(=O)O)O Z3413989910 [0,0,0,0,2,0|2,0,0]=4 251 B12R1.48 O=CC1=C(C=C(C=C1)C(=O)O)O Z1255365429 [0,0,0,0,2,0|2,0,0]=4 252 B14R1.4 COC1=CC=C(C=C1)CCCC(=O)O Z57181981 [1,0,0,0,0,1|0,0,2]=4 253 B14R1.4 COC1=CC=C(C=C1)NCCC(=O)O Z56921145 [1,0,0,0,0,1|0,0,2]=4 254 B14R1.4 COC1=CC=C(C=C1)OCCC(=O)O Z56869407 [1,0,0,0,0,1|0,0,2]=4 255 B14R1.4 COC1=CC=C(C=C1)SCCC(=O)O Z103338270 [1,0,0,0,0,1|0,0,2]=4