0 B13R1.3787 C(=C/C1=C(C=CC=C1F)Cl)\C(=O)O R435929 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.3787 CC1=CC=CC(=C1OCC(=O)O)C S947865 [0,0,0,0,0,0|0,0,0]=0 2 B13R1.3787 O=C(O)/C=C/C1=C(C=CC=C1Cl)Cl R157198 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.3787 O=C(O)/C=C/C1=C(C=CC=C1Cl)Cl R435627 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.3787 O=C(O)/C=C/C1=C(C=CC=C1Cl)Cl S463531 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.3787 O=C(O)CSC1=C(C=CC=C1Cl)Cl PH010790 [0,0,0,0,0,0|2,1,0]=3 6 B12R1.125 C=C(C)COC1=CC=CC=C1Cl PH007539 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.125 C=C(C)CSC1=CC=CC=C1C S722219 [1,0,0,0,0,0|2,1,0]=4 8 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.125 CC(O)COC1=CC=CC=C1Cl PH006972 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.125 CC1=C(C=CC=C1)NCC(=O)O R871230 [1,0,0,0,0,0|1,0,0]=2 11 B12R1.125 CC1=C(C=CC=C1)OCC(=S)N OTV000238 [1,0,0,0,0,0|1,1,0]=3 12 B12R1.125 CC1=C(C=CC=C1)OCC(C)O PH016252 [1,0,0,0,0,0|1,0,1]=3 13 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [1,0,0,0,0,0|1,0,0]=2 14 B12R1.125 CC1=CC=CC=C1SCC(=O)O R363820 [1,0,0,0,0,0|0,1,0]=2 15 B12R1.125 CC1=CC=CC=[N+]1CCC(=O)N S343285 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [1,0,0,0,0,0|2,0,0]=3 17 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [1,0,0,0,0,0|2,0,0]=3 18 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [1,0,0,0,0,0|2,0,1]=4 19 B12R1.125 O=C(Cl)COC1=C(C=CC=C1)Cl OTV000735 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [1,0,0,0,0,0|2,0,1]=4 21 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [1,0,0,0,0,0|2,0,0]=3 22 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [1,0,0,0,0,0|2,0,0]=3 23 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [1,0,0,0,0,0|2,0,0]=3 24 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [1,0,0,0,0,0|1,0,0]=2 25 B12R1.1631 CC1=CC=CC(=C1NCC#N)C PH007654 [1,0,0,0,0,0|2,0,1]=4 26 B12R1.1631 CC1=CC=CC(=C1NCCN)C PH002687 [1,0,0,0,0,0|2,0,1]=4 27 B12R1.1631 CC1=CC=CC(=C1OCC#N)C PH000526 [1,0,0,0,0,0|1,0,1]=3 28 B12R1.1631 CC1=CC=CC(=C1OCCN)C OTV000226 [1,0,0,0,0,0|1,0,1]=3 29 B12R1.1631 CC1=CC=CC(=C1OCCN)C R414344 [1,0,0,0,0,0|1,0,1]=3 30 B12R1.1631 OCCOC1=C(C=CC=C1Cl)Cl S597325 [1,0,0,0,0,0|2,0,1]=4 31 B14R1.3152 CC(=O)/C=C/C1=C(C=C(C=C1C)C)C S926647 [0,1,0,0,0,0|2,0,1]=4 32 B14R1.3152 CC(=O)COC1=C(C=C(C=C1Br)Br)Br S17508 [0,1,0,0,0,0|3,0,0]=4 33 B14R1.3152 CC1=CC(=C(C(=C1)C)OCC(=O)O)C S236055 [0,1,0,0,0,0|0,0,0]=1 34 B14R1.3152 CC1=CC(=CC(=C1NCC(=O)O)Br)Br R822078 [0,1,0,0,0,0|2,0,0]=3 35 B14R1.3152 NC(=O)COC1=C(C=C(C=C1I)I)I S420212 [0,1,0,0,0,0|3,0,0]=4 36 B14R1.3152 O=C(O)CNC1=C(C=C(C=C1Br)Br)F L448435 [0,1,0,0,0,0|3,0,0]=4 37 B14R1.3152 O=C([O-])COC1=C(C=C(C=C1Cl)Cl)Cl T106283 [0,1,0,0,0,0|2,0,1]=4 38 B14R1.6054 CC1=C(C(=C(C=C1)C)OCC(=O)O)C OTV000037 [0,1,0,0,0,0|0,0,0]=1 39 B14R1.19598 CC1=C(C(=CC=C1)Cl)OCC(O)CO S752053 [0,1,0,0,0,0|1,0,2]=4 40 B14R1.19598 N/C(=N\O)/COC1=C(C=CC=C1Cl)Cl PH016723 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.7969 CC1=CC=CC2=C1C=C(N2)C(=O)O CDS008967 [0,0,0,1,0,0|2,0,1]=4 42 B12R1.895 CC1=NOC(=C1CCC(=O)O)C CBR00027 [0,0,0,0,1,0|3,0,0]=4 43 B12R1.1009 CC(=O)NC1=C(C=CC=C1C)Cl R591661 [0,0,0,0,1,0|3,0,0]=4 44 B12R1.1009 CC(=O)OC1=C(C=CC=C1C)C S240354 [0,0,0,0,1,0|1,0,0]=2 45 B12R1.1009 CC1=CC=CC(=C1NC(=O)N)Cl S708852 [0,0,0,0,1,0|3,0,0]=4 46 B12R1.1009 CC1=CC=CC(=C1NC(=S)N)C S862762 [0,0,0,0,1,0|2,1,0]=4 47 B12R1.1009 CC1=CC=CC(=O)N1CC(=O)O PH018003 [0,0,0,0,1,0|2,0,0]=3 48 B12R1.1009 CC1=CC=CC(=[N+]1CC(=O)O)C S243116 [0,0,0,0,1,0|1,0,0]=2 49 B11R1.17 C=CCNC1=CC=CC=C1C S432768 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.17 C=CCOC1=CC=CC=C1C S432911 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.17 C=CCOC1=CC=CC=C1Cl S544744 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.17 CC1=C(C=CC=C1)OCC#N S84612 [2,0,0,0,0,0|1,0,1]=4 53 B11R1.17 CC1=C(C=CC=C1)OCCN R414298 [2,0,0,0,0,0|1,0,1]=4 54 B11R1.17 CC1=CC=CC=C1OCCN OTV000147 [2,0,0,0,0,0|1,0,1]=4 55 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [2,0,0,0,0,0|1,1,0]=4 56 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [2,0,0,0,0,0|1,1,0]=4 59 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [2,0,0,0,0,0|1,1,0]=4 60 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [2,0,0,0,0,0|1,0,1]=4 61 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [2,0,0,0,0,0|1,1,0]=4 64 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [2,0,0,0,0,0|0,0,1]=3 65 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [2,0,0,0,0,0|0,1,1]=4 66 B11R1.605 C(=O)NC1=C(C=CC=C1C)C S396656 [2,0,0,0,0,0|1,0,0]=3 67 B11R1.605 C(=O)NC1=C(C=CC=C1C)Cl S625477 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.605 CC1=CC=CC(=C1/C=N/O)C S670960 [2,0,0,0,0,0|1,0,1]=4 69 B13R1.90 CC(=O)COC1=CC=CC=C1C#N R299871 [1,1,0,0,0,0|1,0,1]=4 70 B13R1.90 CCC1=C(C=CC=C1)NCC(=O)O R761990 [1,1,0,0,0,0|1,0,0]=3 71 B13R1.90 CCC1=CC=CC=C1OCC(=O)O OTV000239 [1,1,0,0,0,0|0,0,0]=2 72 B13R1.90 COC1=C(C=CC=C1)OCC(C)O PH011169 [1,1,0,0,0,0|1,0,1]=4 73 B13R1.90 COC1=CC=CC=C1NCC(=O)O T109304 [1,1,0,0,0,0|1,0,0]=3 74 B13R1.90 COC1=CC=CC=C1OCC(=N)N CBR01209 [1,1,0,0,0,0|2,0,0]=4 75 B13R1.90 C[Se]C1=CC=CC=C1/C=C/C(=O)O S893102 [1,1,0,0,0,0|1,0,1]=4 76 B13R1.90 N#CC1=CC=CC=C1CCC(=O)O T314889 [1,1,0,0,0,0|1,0,1]=4 77 B13R1.90 N#CC1=CC=CC=C1OCC(=O)O CDS011537 [1,1,0,0,0,0|0,0,1]=3 78 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)O)C S361100 [1,1,0,0,0,0|0,0,0]=2 79 B13R1.150 CC1=C(C=CC=C1NCC(=O)O)Cl T110809 [1,1,0,0,0,0|1,0,0]=3 80 B13R1.150 CC1=CC=CC(=C1C)NCC(=O)O L172502 [1,1,0,0,0,0|1,0,0]=3 81 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)[O-] R750271 [1,1,0,0,0,0|0,0,1]=3 82 B13R1.164 CC1=CC(=C(C=C1)NCC(=O)O)C L172472 [1,1,0,0,0,0|1,0,0]=3 83 B13R1.164 CC1=CC(=CC=C1C=CC(=O)O)N S398012 [1,1,0,0,0,0|1,0,1]=4 84 B13R1.164 CC1=CC(=CC=C1OCC(=O)N)Cl R631132 [1,1,0,0,0,0|1,0,0]=3 85 B13R1.164 CC1=CC=C(C(=C1)Br)OCC(=O)O S697141 [1,1,0,0,0,0|1,0,0]=3 86 B13R1.164 CC1=CC=C(C(=C1)C)/C=C/C(=O)O KOB0165 [1,1,0,0,0,0|1,0,1]=4 87 B13R1.164 CC1=CC=C(C(=C1)C)CCC(=O)O R245275 [1,1,0,0,0,0|1,0,0]=3 88 B13R1.164 CC1=CC=C(C(=C1)C)OCC(=O)O R703249 [1,1,0,0,0,0|0,0,0]=2 89 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Cl)Br EME00177 [1,1,0,0,0,0|2,0,0]=4 90 B13R1.164 O=C(Cl)COC1=C(C=C(C=C1)Cl)Cl PH014592 [1,1,0,0,0,0|2,0,0]=4 91 B13R1.164 O=C(O)CCC1=CC=C(C=C1Cl)F RNI00047 [1,1,0,0,0,0|2,0,0]=4 92 B13R1.164 O=C(O)CNC1=CC=C(C=C1Cl)Br R822086 [1,1,0,0,0,0|2,0,0]=4 93 B13R1.201 CC(CC(=O)O)C1=CC=CC=C1I T135852 [1,1,0,0,0,0|2,0,0]=4 94 B13R1.201 CC1=CC=CC=C1/C(=C/C(=O)O)/C R244880 [1,1,0,0,0,0|1,0,1]=4 95 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O R425818 [1,1,0,0,0,0|1,0,0]=3 96 B13R1.202 CC(OC1=CC=CC=C1F)C(=O)O CDS011686 [1,1,0,0,0,0|1,0,0]=3 97 B13R1.202 CC1=C(C=CC=C1)CC(N)C(=O)O R410985 [1,1,0,0,0,0|1,0,0]=3 98 B13R1.202 CC1=CC=CC=C1OC(C)C(=O)O PH010162 [1,1,0,0,0,0|0,0,0]=2 99 B13R1.202 NC(CC1=CC=CC=C1Cl)C(=O)O R262129 [1,1,0,0,0,0|2,0,0]=4 100 B13R1.528 CC1=C(C=CC=C1)OCC(O)CO S423300 [1,1,0,0,0,0|0,0,2]=4 101 B13R1.528 CC1=CC=CC=C1OC/C(=N/O)/N PH012692 [1,1,0,0,0,0|1,0,0]=3 102 B13R1.528 CC1=CC=CC=C1OCC(=O)NN R396877 [1,1,0,0,0,0|1,0,0]=3 103 B13R1.528 CC1=CC=CC=C1OCC(O)CN CDS016319 [1,1,0,0,0,0|1,0,1]=4 104 B13R1.528 CNC(=O)COC1=CC=CC=C1Br CDS005859 [1,1,0,0,0,0|2,0,0]=4 105 B13R1.528 COC(=O)CCC1=C(C=CC=C1)O CDS015224 [1,1,0,0,0,0|2,0,0]=4 106 B13R1.528 N/C(=N\O)/COC1=CC=CC=C1Br PH012677 [1,1,0,0,0,0|2,0,0]=4 107 B13R1.528 N/C(=N\O)/COC1=CC=CC=C1Cl PH012678 [1,1,0,0,0,0|2,0,0]=4 108 B13R1.528 O=C(COC1=CC=CC=C1Cl)NO PH008683 [1,1,0,0,0,0|1,0,0]=3 109 B13R1.893 CC1=CC(=C(C=C1)C)/C=C/C(=O)O PH011355 [1,1,0,0,0,0|1,0,1]=4 110 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O R435279 [1,1,0,0,0,0|0,0,0]=2 111 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O S408166 [1,1,0,0,0,0|0,0,0]=2 112 B13R1.893 O=C(O)CCC1=CC(=CC=C1Cl)Cl JRD0472 [1,1,0,0,0,0|2,0,0]=4 113 B13R1.893 O=C(O)COC1=C(C=CC(=C1)Cl)Cl OTV000322 [1,1,0,0,0,0|1,0,0]=3 114 B13R1.893 O=C(O)COC1=CC(=CC=C1Br)F CDS022259 [1,1,0,0,0,0|1,0,0]=3 115 B13R1.893 O=C(O)CSC1=C(C=CC(=C1)Cl)Cl PH011457 [1,1,0,0,0,0|1,1,0]=4 116 B13R1.1601 C#CCOC1=C(C=C(C=C1C)C)C CDS024027 [1,1,0,0,0,0|1,0,1]=4 117 B13R1.1601 CC1=CC(=CC(=C1OCC#N)C)Br OTV000127 [1,1,0,0,0,0|1,0,1]=4 118 B13R1.8919 CC1=CC=CC(=C1OCCCBr)C PH000252 [1,1,0,0,0,0|1,0,1]=4 119 B13R1.885 CC(=O)NC1=C(C(=CC=C1C)I)C L168416 [0,1,0,0,1,0|2,0,0]=4 120 B13R1.885 CC1=CC=C(C(=C1F)CC(=O)O)Cl CDS001627 [0,1,0,0,1,0|2,0,0]=4 121 B13R1.885 O=C(O)CC1=C(C(=CC=C1Cl)Cl)Cl R435341 [0,1,0,0,1,0|2,0,0]=4 122 B13R1.2135 CCC1=C(C(=CC=C1)C)NC(=O)C T118540 [0,1,0,0,1,0|2,0,0]=4 123 B13R1.2808 CC(=O)NC1=C(C=C(C=C1C)Br)C L168351 [0,1,0,0,1,0|2,0,0]=4 124 B13R1.2808 CC(=O)NC1=C(C=C(C=C1C)C)C T118427 [0,1,0,0,1,0|2,0,0]=4 125 B13R1.2808 CC(=O)OC1=C(C=C(C=C1C)Br)C OTV000040 [0,1,0,0,1,0|1,0,0]=3 126 B13R1.2808 CC1=CC(=C(C(=C1)C)NC(=O)N)C S677655 [0,1,0,0,1,0|2,0,0]=4 127 B13R1.2808 CC1=CC(=[N+](C(=C1)C)CC(=O)O)C S243108 [0,1,0,0,1,0|1,0,0]=3 128 B13R1.2808 O=C(O)CC1=C(C=C(C=C1F)F)F CDS004596 [0,1,0,0,1,0|2,0,0]=4 129 B13R1.3789 O=C(O)C(O)C1=C(C=CC=C1F)F R257990 [0,1,0,0,1,0|2,0,0]=4 130 B15R1.8287 CC(=O)CC(=O)NC1=C(C=CC=C1C)C S420670 [0,1,0,0,0,1|2,0,0]=4 131 B15R1.441 CCC1=C(C(=CC(=C1)Br)Br)NCC(=O)O R823171 [0,2,0,0,0,0|2,0,0]=4 132 B15R1.3552 CC(OC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)O S365211 [0,2,0,0,0,0|2,0,0]=4 133 B15R1.25367 O=C(O)COC1=C(C=C(C(=C1Cl)Cl)Cl)Cl T103969 [0,2,0,0,0,0|2,0,0]=4 134 B15R1.38791 CC1=CC(=C(C(=C1)C)OCC(O)CCl)C S377546 [0,2,0,0,0,0|1,0,1]=4 135 B15R1.38791 CC1=CC(=C(C(=C1)C)OCC(O)CO)C S377333 [0,2,0,0,0,0|0,0,2]=4 136 B15R1.38791 COC(=O)COC1=C(C=C(C=C1Cl)Cl)Cl T105996 [0,2,0,0,0,0|2,0,0]=4 137 B15R1.8295 CC1=CC=CC(=C1[C@H](C)[C@@H](N)C(=O)O)C R410632 [0,2,0,0,0,0|1,0,0]=3 138 B15R1.8295 CC1=CC=CC(=C1[C@H](C)[C@H](N)C(=O)O)C R410578 [0,2,0,0,0,0|1,0,0]=3 139 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 T199613 [1,0,0,1,0,0|2,0,0]=4 140 B13R2.33 O=C1CNC2=CC=CC=C2CN1 CDS003920 [1,0,0,1,0,0|2,0,0]=4 141 B13R2.435 O=C(O)C1OC2=C(O1)C=CC=C2 PH010404 [1,0,0,1,0,0|1,0,0]=3 142 B13R2.162 O=C1CCC2=C(C1)C(=CC=C2)Br PH014667 [0,0,0,1,1,0|2,0,0]=4 143 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Cl PH014571 [0,0,0,1,1,0|2,0,0]=4 144 B15R2.13463 CC1=C(OC2=C(C=CC=C12)F)C(=O)O T314706 [0,1,0,1,0,0|1,0,1]=4 145 B15R2.13463 CC1=CC=CC2=C1OC(=C2C)C(=O)O CDS013454 [0,1,0,1,0,0|0,0,1]=3 146 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [1,0,0,0,1,0|2,0,0]=4 147 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [1,0,0,0,1,0|2,0,0]=4 148 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [1,0,0,0,1,0|2,0,0]=4 149 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [1,0,0,0,1,0|2,0,0]=4 150 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [1,0,0,0,1,0|2,0,0]=4 151 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [1,0,0,0,1,0|2,0,0]=4 152 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [1,0,0,0,1,0|1,0,0]=3 153 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [1,0,0,0,1,0|2,0,0]=4 154 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [1,0,0,0,1,0|2,0,0]=4 155 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [1,0,0,0,1,0|2,0,0]=4 156 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [1,0,0,0,1,0|2,0,0]=4 157 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [1,0,0,0,1,0|2,0,0]=4 158 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [1,0,0,0,1,0|2,0,0]=4 159 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [1,0,0,0,1,0|1,0,0]=3 160 B11R1.86 O=C(O)CN1C=CC=CC1=O CDS010316 [1,0,0,0,1,0|2,0,0]=4 161 B11R1.495 CC1=CC=C(N1CC(=O)N)C PH010846 [0,0,0,0,2,0|2,0,0]=4 162 B11R1.495 CC1=CC=C(N1CC(=O)O)C CBR01375 [0,0,0,0,2,0|1,0,0]=3 163 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [0,0,0,0,2,0|1,0,0]=3 164 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CDS003590 [0,0,0,0,2,0|1,0,0]=3 165 B11R1.156 CC1=CC=CC(=C1C(=O)O)Cl CDS000889 [0,0,0,0,2,0|1,0,0]=3 166 B11R1.156 CC1=CC=CC(=C1C(=O)O)F CDS007502 [0,0,0,0,2,0|1,0,0]=3 167 B11R1.156 CC1=CC=NC(=C1C(=O)O)Cl CDS023531 [0,0,0,0,2,0|2,0,0]=4 168 B11R1.156 O=C(O)C1=C(C=CC=C1Br)O CDS023946 [0,0,0,0,2,0|2,0,0]=4 169 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)O CDS023309 [0,0,0,0,2,0|2,0,0]=4 170 B13R1.158 CC1=CC=CC=C1CCCC(=O)O R245283 [1,0,0,0,0,1|1,0,0]=3 171 B13R1.158 CC1=CC=CC=C1SCCC(=O)O S849561 [1,0,0,0,0,1|0,1,0]=3 172 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)F EME00439 [1,0,0,0,0,1|2,0,0]=4 173 B13R1.158 NC1=CC=CC=C1CCCC(=O)O PH003105 [1,0,0,0,0,1|2,0,0]=4 174 B13R1.158 O=C(O)CCNC1=C(C=CC=C1)Cl PH011647 [1,0,0,0,0,1|2,0,0]=4 175 B15R1.8290 CC(=O)NCCOC1=C(C=CC=C1C)C R703702 [0,0,0,0,0,2|1,0,0]=3 176 B15R1.8290 CC1=CC=CC(=C1OCCCC(=O)O)C OTV000096 [0,0,0,0,0,2|0,0,0]=2