0 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 CC(C)OCCC1=NC=CC=C1 P63699 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.252 CN(C)CCOC1=CC=CC=C1 D53142 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.252 O=C(O)CCCC1=NC=CC=C1 P50052 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 CCOC=NC1=CC=CC=C1 E50019 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.28 CCOCCC1=NC=CC=C1 E69081 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [1,0,0,0,0,0|1,0,2]=4 17 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 P52966 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 P52967 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 A54160 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 B52614 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 F51992 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 F52641 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.158 O=C(O)CCOC1=C(F)C=CC=C1 F51991 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O B67100 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O B52822 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O B65085 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O A38614 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O A61136 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 X52456 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.351 O=C(O)[C@@H](Br)CCC1=CC=CC=C1 B65537 [0,1,0,0,0,0|2,0,0]=3 31 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 H52834 [0,1,0,0,0,0|2,0,0]=3 32 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H61047 [0,1,0,0,0,0|2,0,0]=3 33 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 P54767 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 A68979 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 B52615 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 C38697 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.513 O=C(O)CCCC1=CC=C(I)C=C1 K52648 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 H69215 [0,1,0,0,0,0|2,0,0]=3 39 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 B49795 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.718 CCC(=O)COCC1=CC=CC=C1 B54766 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.718 COC(=O)CCNC1=CC=CC=C1 M52952 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.718 COC(=O)CNCC1=CC=CC=C1 M52944 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.3523 CS(=O)(=O)OCCC1=CC=CC=C1 P50302 [0,1,0,0,0,0|1,0,0]=2 44 B13R2.10 BrC1=NO[C@H](C2=CC=CC=C2)C1 B5021 [0,0,0,1,0,0|3,0,0]=4 45 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 M30077 [0,0,0,1,0,0|2,0,1]=4 46 B13R2.10 O=C1CC(C2=CC=NC=C2)=NO1 P47886 [0,0,0,1,0,0|2,0,1]=4 47 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 P32385 [0,0,0,1,0,0|1,0,0]=2 48 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P61078 [0,0,0,1,0,0|1,0,0]=2 49 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 P11961 [0,0,0,1,0,0|1,1,0]=3 50 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 P51871 [0,0,0,1,0,0|1,2,0]=4 51 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P16573 [0,0,0,1,0,0|1,2,0]=4 52 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 P13335 [0,0,0,1,0,0|2,0,0]=3 53 B13R2.72 CC(=O)C1=CNC2=C1C=CC=C2 I24984 [0,0,0,1,0,0|2,0,1]=4 54 B13R2.72 CC(=O)C1=NNC2=C1C=CC=C2 K9334 [0,0,0,1,0,0|3,0,0]=4 55 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 K52542 [0,0,0,1,0,0|1,0,0]=2 56 B13R2.72 CC(=O)N1N=CC2=C1C=CC=C2 K51355 [0,0,0,1,0,0|2,0,1]=4 57 B13R2.72 O=C(O)[C@@H]1CCC2=C1C=CC=C2 K52427 [0,0,0,1,0,0|2,0,0]=3 58 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 K52237 [0,0,0,1,0,0|3,0,0]=4 59 B13R2.72 O=C(O)[C@H]1NCC2=C1C=CC=C2 K52238 [0,0,0,1,0,0|3,0,0]=4 60 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 D52553 [0,0,0,1,0,0|2,0,0]=3 61 B13R2.163 O=C1CCCC2=CC=CN=C2N1 D49730 [0,0,0,1,0,0|3,0,0]=4 62 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 P38188 [0,0,0,1,0,0|2,0,0]=3 63 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 P51791 [0,0,0,1,0,0|3,0,0]=4 64 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 P30012 [0,0,0,1,0,0|2,0,0]=3 65 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 P30011 [0,0,0,1,0,0|2,0,0]=3 66 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [0,0,0,0,1,0|2,0,0]=3 67 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [0,0,0,0,1,0|0,0,2]=3 68 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [0,0,0,0,1,0|2,0,0]=3 69 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [0,0,0,0,1,0|1,0,0]=2 70 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [0,0,0,0,1,0|1,0,2]=4 71 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [0,0,0,0,1,0|1,0,0]=2 72 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [0,0,0,0,1,0|1,0,2]=4 73 B11R1.91 O=C(O)CCC1=CN=NC=C1 P60455 [0,0,0,0,1,0|3,0,0]=4 74 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [0,0,0,0,1,0|2,0,0]=3 75 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [0,0,0,0,1,0|2,0,0]=3 76 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [0,0,0,0,1,0|3,0,0]=4 77 B11R1.91 O=C(O)COC1=CC=NC=C1 P45840 [0,0,0,0,1,0|3,0,0]=4 78 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [0,0,0,0,1,0|3,0,0]=4 79 B11R1.91 O=C(O)CSC1=CC=NC=C1 P68840 [0,0,0,0,1,0|3,0,0]=4 80 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [0,0,0,0,1,0|1,0,2]=4 81 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [0,0,0,0,1,0|2,0,0]=3 82 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [0,0,0,0,1,0|2,0,1]=4 83 B11R1.172 O=C(O)CCCC1=CC=CS1 T69302 [0,0,0,0,1,0|3,0,0]=4 84 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [2,0,0,0,0,0|1,0,1]=4 85 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [2,0,0,0,0,0|0,0,2]=4 86 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [2,0,0,0,0,0|1,0,1]=4 87 B10R1.17 C=COCC1=CC=CC=C1 B26636 [2,0,0,0,0,0|0,0,1]=3 88 B10R1.17 CCCCC1=CC=NC=C1 B50306 [2,0,0,0,0,0|1,0,1]=4 89 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [2,0,0,0,0,0|1,0,1]=4 90 B10R1.17 CCCOC1=CC=CC=C1 P50263 [2,0,0,0,0,0|1,0,1]=4 91 B10R1.17 CCNCC1=CC=CC=C1 B39547 [2,0,0,0,0,0|1,0,1]=4 92 B10R1.17 CCOCC1=CC=CC=C1 E50267 [2,0,0,0,0,0|0,0,1]=3 93 B10R1.17 CNCCC1=CC=CN=C1 M46974 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [2,0,0,0,0,0|0,0,2]=4 95 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [2,0,0,0,0,0|1,0,1]=4 96 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B4837 [1,1,0,0,0,0|1,0,1]=4 97 B12R1.1 CCCCCC1=CC=C([Mg+])C=C1 P31797 [1,1,0,0,0,0|1,0,1]=4 98 B12R1.8 O=CCCOCC1=CC=CC=C1 B1995 [1,1,0,0,0,0|1,0,0]=3 99 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 E62365 [1,1,0,0,0,0|0,0,1]=3 101 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 X51780 [1,1,0,0,0,0|1,0,1]=4 102 B12R1.21 CC(=O)NNC1=CC=C(Br)C=C1 B49191 [0,1,0,0,1,0|2,0,0]=4 103 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 H64577 [0,1,0,0,1,0|0,0,2]=4 104 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [0,1,0,0,1,0|1,0,0]=3 105 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 A49317 [0,1,0,0,1,0|2,0,0]=4 106 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 A46681 [0,1,0,0,1,0|2,0,0]=4 107 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [0,1,0,0,1,0|1,0,0]=3 108 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [0,1,0,0,1,0|1,0,0]=3 109 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [0,1,0,0,1,0|1,0,0]=3 110 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [0,1,0,0,1,0|1,0,1]=4 111 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [0,1,0,0,1,0|0,0,0]=2 112 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)Cl P51914 [0,1,0,0,1,0|2,0,0]=4 113 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [0,1,0,0,1,0|2,0,0]=4 114 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [0,1,0,0,1,0|1,0,0]=3 115 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [0,1,0,0,1,0|1,0,0]=3 116 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [0,1,0,0,1,0|1,0,0]=3 117 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49500 [0,1,0,0,1,0|2,0,0]=4 118 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49660 [0,1,0,0,1,0|2,0,0]=4 119 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O A49659 [0,1,0,0,1,0|2,0,0]=4 120 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A46684 [0,1,0,0,1,0|2,0,0]=4 121 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O A61463 [0,1,0,0,1,0|2,0,0]=4 122 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O A60776 [0,1,0,0,1,0|2,0,0]=4 123 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 B6285 [0,1,0,0,1,0|1,0,0]=3 124 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [0,1,0,0,1,0|1,0,0]=3 125 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [0,1,0,0,1,0|1,0,0]=3 126 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [0,1,0,0,1,0|1,0,0]=3 127 B12R1.43 O=C([O-])N(O)CC1=CC=CC=C1 B49301 [0,1,0,0,1,0|2,0,0]=4 128 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 P52545 [0,1,0,0,1,0|1,0,1]=4 129 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,1,0,0,1,0|0,0,1]=3 130 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [0,1,0,0,1,0|1,0,0]=3 131 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [0,1,0,0,1,0|0,0,0]=2 132 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 M63385 [0,1,0,0,1,0|1,0,1]=4 133 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 A53182 [0,1,0,0,1,0|2,0,0]=4 134 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [0,1,0,0,1,0|2,0,0]=4 135 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [0,1,0,0,1,0|1,0,0]=3 136 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 P65387 [0,1,0,0,1,0|2,0,0]=4 137 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 P65388 [0,1,0,0,1,0|2,0,0]=4 138 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [0,1,0,0,1,0|1,0,0]=3 139 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [0,1,0,0,1,0|1,0,0]=3 140 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [0,1,0,0,1,0|1,0,0]=3 141 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 A46676 [0,1,0,0,1,0|2,0,0]=4 142 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [0,1,0,0,1,0|1,0,0]=3 143 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [0,1,0,0,1,0|1,0,0]=3 144 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [0,1,0,0,1,0|1,0,0]=3 145 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [0,1,0,0,1,0|1,0,1]=4 146 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [0,1,0,0,1,0|1,0,0]=3 147 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [0,1,0,0,1,0|1,0,0]=3 148 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 M62392 [0,1,0,0,1,0|2,0,0]=4 149 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [0,1,0,0,1,0|1,0,0]=3 150 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [0,1,0,0,1,0|1,0,0]=3 151 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [0,1,0,0,1,0|1,0,0]=3 152 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [0,1,0,0,1,0|1,0,0]=3 153 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 F48669 [0,1,0,0,1,0|2,0,0]=4 154 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C64672 [0,1,0,0,1,0|2,0,0]=4 155 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [0,1,0,0,1,0|1,0,0]=3 156 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 T69043 [0,1,0,0,1,0|2,0,0]=4 157 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [0,1,0,0,1,0|1,0,0]=3 158 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [0,1,0,0,1,0|1,0,0]=3 159 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [0,1,0,0,1,0|1,0,0]=3 160 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [0,1,0,0,1,0|1,0,0]=3 161 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 B63813 [0,1,0,0,1,0|2,0,0]=4 162 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 F48670 [0,1,0,0,1,0|2,0,0]=4 163 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 P38151 [0,1,0,0,1,0|2,0,0]=4 164 B14R1.148 O=C(O)CCCCC1=CC=CC(Br)=C1 B54667 [0,1,0,0,0,1|2,0,0]=4 165 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 A55506 [0,1,0,0,0,1|2,0,0]=4 166 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 X67662 [0,1,0,0,0,1|2,0,0]=4 167 B14R1.677 O=C(O)CCCOC1=CC=C(Br)C=C1 B52653 [0,1,0,0,0,1|2,0,0]=4 168 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 C52659 [0,1,0,0,0,1|2,0,0]=4 169 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 M54865 [0,1,0,0,0,1|1,0,0]=3 170 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 M54788 [0,1,0,0,0,1|1,0,0]=3 171 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 B68819 [0,1,0,0,0,1|1,0,1]=4 172 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O A54864 [0,1,0,0,0,1|2,0,0]=4 173 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O A54867 [0,1,0,0,0,1|2,0,0]=4 174 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O A68012 [0,1,0,0,0,1|2,0,0]=4 175 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O B52975 [0,1,0,0,0,1|2,0,0]=4 176 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O B68301 [0,1,0,0,0,1|2,0,0]=4 177 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Br)C=C1 B54022 [0,2,0,0,0,0|0,0,1]=3 178 B14R1.678 CC1=CC=C([C@@H](N)CCC(=O)O)C=C1 A55505 [0,2,0,0,0,0|2,0,0]=4 179 B14R1.5978 N[C@H](CC(=O)O)CC1=CC=CC(Cl)=C1 A52761 [0,2,0,0,0,0|2,0,0]=4 180 B14R1.5978 N[C@H](CC(=O)O)CC1=CC=CC(Cl)=C1 A52762 [0,2,0,0,0,0|2,0,0]=4 181 B14R1.337 CC1=C(C[C@@H](N)CC(=O)O)C=CC=C1 A54871 [0,2,0,0,0,0|2,0,0]=4 182 B14R1.837 COC(=O)CCCC1=C(O)C=CC=C1 M54799 [0,2,0,0,0,0|1,0,0]=3 183 B14R1.425 N[C@@H](CC1=CC=CC=C1)[C@@H](O)C(=O)O A62968 [0,2,0,0,0,0|2,0,0]=4 184 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O A52987 [0,2,0,0,0,0|2,0,0]=4 185 B14R1.549 CC(=O)N[C@H](CO)CC1=CC=CC=C1 H54874 [0,2,0,0,0,0|1,0,0]=3 186 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 M54573 [0,2,0,0,0,0|1,0,1]=4 187 B14R1.756 COC(=O)[C@@H](C)OCC1=CC=CC=C1 M67097 [0,2,0,0,0,0|2,0,0]=4 188 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 E38126 [0,2,0,0,0,0|2,0,0]=4 189 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 M54789 [0,2,0,0,0,0|2,0,0]=4 190 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 M67740 [0,2,0,0,0,0|1,0,0]=3 191 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 E65599 [0,2,0,0,0,0|2,0,0]=4 192 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 E68308 [0,2,0,0,0,0|2,0,0]=4 193 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 E54787 [0,2,0,0,0,0|2,0,0]=4 194 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 E54861 [0,2,0,0,0,0|1,0,0]=3 195 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P24713 [1,0,0,1,0,0|1,0,1]=4 196 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25684 [1,0,0,1,0,0|1,0,1]=4 197 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25740 [1,0,0,1,0,0|1,0,1]=4 198 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P26657 [1,0,0,1,0,0|1,0,1]=4 199 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [1,0,0,1,0,0|1,0,0]=3 200 B12R2.41 C1=CC2=C(C=C1)CCNCC2 T10517 [1,0,0,1,0,0|1,0,1]=4 201 B12R2.41 C1=CC2=C(C=C1)CNCCC2 T69161 [1,0,0,1,0,0|2,0,0]=4 202 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M54143 [1,0,0,1,0,0|1,0,1]=4 203 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M67524 [1,0,0,1,0,0|1,0,1]=4 204 B12R2.1081 O=C1CCCC2=C1C=CC=N2 D0654 [1,0,0,1,0,0|2,0,0]=4 205 B12R2.1081 O=C1CCCC2=C1C=CN=C2 D69568 [1,0,0,1,0,0|2,0,0]=4 206 B12R2.1081 O=C1CCCC2=C1C=NC=C2 D52235 [1,0,0,1,0,0|2,0,0]=4 207 B12R2.1081 O=C1CCCC2=CC=CN=C12 D51765 [1,0,0,1,0,0|2,0,0]=4 208 B12R2.1081 O=C1CCNC2=C1C=CC=C2 D39113 [1,0,0,1,0,0|2,0,0]=4 209 B12R2.1081 O=C1CCOC2=C1C=CC=C2 C67858 [1,0,0,1,0,0|2,0,0]=4 210 B12R2.1081 O=C1COCC2=C1C=CC=C2 I4950 [1,0,0,1,0,0|2,0,0]=4 211 B12R2.1081 O=C1CSCC2=C1C=CC=C2 T62209 [1,0,0,1,0,0|2,0,0]=4 212 B12R2.1081 O=C1NCCC2=C1C=CC=C2 D37571 [1,0,0,1,0,0|1,0,0]=3 213 B12R2.1081 O=C1NCCC2=C1C=CC=N2 D48818 [1,0,0,1,0,0|2,0,0]=4 214 B12R2.1081 O=C1NCCC2=C1C=NC=C2 D13447 [1,0,0,1,0,0|2,0,0]=4 215 B12R2.1081 O=C1NCCC2=CC=CN=C12 D48817 [1,0,0,1,0,0|2,0,0]=4 216 B12R2.1081 O=C1OCCC2=C1C=CC=C2 C51549 [1,0,0,1,0,0|0,0,0]=2 217 B12R2.22 NC1CC(C2=CC=CC=C2)C1 P15206 [0,0,0,1,1,0|1,0,1]=4 218 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 P11821 [0,0,0,1,1,0|1,0,1]=4 219 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [0,0,0,1,1,0|0,0,0]=2 220 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [0,0,0,1,1,0|1,0,1]=4 221 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [0,0,0,1,1,0|1,0,1]=4 222 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [0,0,0,1,1,0|1,0,1]=4 223 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [0,0,0,1,1,0|1,0,1]=4 224 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [0,0,0,1,1,0|0,0,0]=2 225 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [0,0,0,1,1,0|1,0,0]=3 226 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 D13325 [0,0,0,1,1,0|2,0,0]=4 227 B12R2.24 O=C1CCC2=CC=CN=C2N1 D0689 [0,0,0,1,1,0|2,0,0]=4 228 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [0,0,0,1,1,0|2,0,0]=4 229 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [0,0,0,1,1,0|2,0,0]=4 230 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [0,0,0,1,1,0|2,0,0]=4 231 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [0,0,0,1,1,0|0,0,2]=4 232 B14R2.2 CC(=O)O[C@H]1CCC2=CC=CN=C21 D60958 [0,0,0,1,0,1|1,0,0]=3 233 B14R2.19 O=C1C=C(SC2=CC=CC=C2)CO1 P5649 [0,0,0,1,0,1|0,0,2]=4 234 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 B6949 [0,0,0,1,0,1|1,0,0]=3 235 B14R2.19 O=C1C[C@H](CC2=CC=CC=C2)CO1 B54554 [0,0,0,1,0,1|0,0,0]=2 236 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B27980 [0,0,0,1,0,1|1,0,0]=3 237 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 P52557 [0,0,0,1,0,1|1,0,0]=3 238 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 B8236 [0,0,0,1,0,1|1,0,0]=3 239 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 T54559 [0,0,0,1,0,1|2,0,0]=4 240 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 T54563 [0,0,0,1,0,1|2,0,0]=4 241 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 T20153 [0,0,0,1,0,1|2,0,0]=4 242 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 T54111 [0,0,0,1,0,1|2,0,0]=4 243 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 T60531 [0,0,0,1,0,1|2,0,0]=4 244 B14R2.31359 O=C(O)[C@@H]1OCCC2=C1C=CC=C2 C62395 [0,0,0,1,0,1|1,0,0]=3 245 B14R2.31359 O=C(O)[C@H]1CCCC2=C1C=CC=C2 T54560 [0,0,0,1,0,1|2,0,0]=4 246 B14R2.31359 O=C(O)[C@H]1NCCC2=C1C=CC=C2 T52581 [0,0,0,1,0,1|2,0,0]=4 247 B14R2.68 C[C@H]1CN[C@@H](C2=CC=CC=C2)CO1 M55498 [0,1,0,1,0,0|1,0,1]=4 248 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 P39676 [0,1,0,1,0,0|1,0,0]=3 249 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 P54629 [0,1,0,1,0,0|2,0,0]=4 250 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 P19914 [0,1,0,1,0,0|0,0,0]=2 251 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 P54109 [0,1,0,1,0,0|0,0,0]=2 252 B14R2.68 O=C1COC(C2=CC=CC=C2)OC1 P52455 [0,1,0,1,0,0|2,0,0]=4 253 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 P24775 [0,1,0,1,0,0|2,0,0]=4 254 B14R2.25733 CC(=O)N1CC(=O)C2=C1C=CC=C2 A21724 [0,1,0,1,0,0|1,0,1]=4 255 B14R2.22 O=C1C[C@H](C2=CC=CC(Br)=C2)CN1 B5360 [0,1,0,1,0,0|1,0,0]=3 256 B14R2.300 CC(=O)N1CCC2=C1C=CC(O)=C2 H52564 [0,1,0,1,0,0|1,0,0]=3 257 B14R2.390 O=C1CCCC2=CC=CC(F)=C2N1 F52403 [0,1,0,1,0,0|2,0,0]=4 258 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 C53996 [0,1,0,1,0,0|2,0,0]=4 259 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC=CC(F)=C2 F61658 [0,1,0,1,0,0|2,0,0]=4 260 B14R2.7974 NC1=CC2=C(C=C1)NC(=O)CCC2 A14224 [0,1,0,1,0,0|2,0,0]=4 261 B14R2.256 O=C1CC[C@H](C2=C(F)C=CC=C2)C1 F37688 [0,1,0,1,0,0|1,0,0]=3 262 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 T54110 [0,1,0,1,0,0|2,0,0]=4 263 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 C37839 [0,1,0,1,0,0|2,0,0]=4 264 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)C1 T54558 [0,1,0,1,0,0|2,0,0]=4 265 B14R2.5443 O=C(O)C1CC1C2=C(Br)C=CC=C2 B53989 [0,1,0,1,0,0|2,0,0]=4 266 B14R2.5443 O=C(O)C1CC1C2=C(Cl)C=CC=C2 C17014 [0,1,0,1,0,0|2,0,0]=4 267 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(Br)C=CC=C2 B61659 [0,1,0,1,0,0|2,0,0]=4 268 B14R2.5443 O=C(O)[C@@H]1C[C@H]1C2=C(F)C=CC=C2 F61868 [0,1,0,1,0,0|2,0,0]=4 269 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2N A52687 [0,1,0,1,0,0|1,0,0]=3 270 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2O H52563 [0,1,0,1,0,0|1,0,0]=3 271 B14R2.28454 O=C1CCCC2=C(F)C=CC=C2N1 F52402 [0,1,0,1,0,0|2,0,0]=4 272 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 M52572 [0,1,0,1,0,0|2,0,0]=4 273 B14R2.31 O=C1CC[C@@H]1OCC2=CC=CC=C2 B13430 [0,1,0,1,0,0|2,0,0]=4 274 B14R2.741 CN1CCC2=C(C=CC=C2)CC1=O M64138 [0,1,0,1,0,0|1,0,0]=3 275 B14R2.741 N[C@H]1CCC2=C(C=CC=C2)NC1=O A52692 [0,1,0,1,0,0|2,0,0]=4 276 B14R2.741 O=C1NC2=C(C=CC=C2)CC[C@@H]1Br B52396 [0,1,0,1,0,0|2,0,0]=4 277 B14R2.20 O=C1CC[C@@H](C2=CC=C(Br)C=C2)N1 B52394 [0,1,0,1,0,0|2,0,0]=4 278 B14R2.20 O=C1CC[C@@H](C2=CC=C(O)C=C2)N1 H52567 [0,1,0,1,0,0|2,0,0]=4 279 B14R2.20 O=C1C[C@H](C2=CC=C(Cl)C=C2)CN1 C52398 [0,1,0,1,0,0|1,0,0]=3 280 B14R2.20 O=C1C[C@H](C2=CC=C(F)C=C2)CN1 F52400 [0,1,0,1,0,0|1,0,0]=3 281 B14R2.20 O=C1NC[C@@H](C2=CC=C(Br)C=C2)O1 B61250 [0,1,0,1,0,0|2,0,0]=4 282 B14R2.380 NC1=CC2=C(C=C1)CCCC(=O)N2 A1769 [0,1,0,1,0,0|2,0,0]=4 283 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 B38910 [0,1,0,1,0,0|2,0,0]=4 284 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 C53997 [0,1,0,1,0,0|2,0,0]=4 285 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 F54003 [0,1,0,1,0,0|2,0,0]=4 286 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(F)C=C2 F61869 [0,1,0,1,0,0|2,0,0]=4 287 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(O)C=C2 H29928 [0,1,0,1,0,0|2,0,0]=4 288 B14R2.5816 O=C(O)[C@@H]1CCC2=C1C=C(Br)C=C2 B38090 [0,1,0,1,0,0|2,0,0]=4 289 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [0,0,0,0,2,0|1,0,0]=3 290 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,0,0,0,2,0|1,0,0]=3 291 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [0,0,0,0,2,0|1,0,0]=3 292 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [0,0,0,0,2,0|2,0,0]=4 293 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [0,0,0,0,2,0|1,0,1]=4 294 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [0,0,0,0,2,0|2,0,0]=4 295 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [0,0,0,0,2,0|1,0,0]=3 296 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [0,0,0,0,2,0|2,0,0]=4 297 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [0,0,0,0,2,0|1,0,0]=3 298 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [0,0,0,0,2,0|2,0,0]=4 299 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [0,0,0,0,2,0|2,0,0]=4 300 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [0,0,0,0,2,0|2,0,0]=4 301 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [0,0,0,0,2,0|2,0,0]=4 302 B10R1.18 S=C(Cl)OC1=CC=CC=C1 P37341 [0,0,0,0,2,0|1,1,0]=4 303 B10R1.66 CC(=O)OCC1=CC=CO1 F39416 [0,0,0,0,2,0|1,0,0]=3 304 B10R1.66 CC(=S)OCC1=CC=CO1 F46246 [0,0,0,0,2,0|1,1,0]=4 305 B10R1.66 O=C(O)CCC1=CC=CN1 P46404 [0,0,0,0,2,0|2,0,0]=4 306 B10R1.66 O=C(O)CCC1=CC=CO1 F46252 [0,0,0,0,2,0|2,0,0]=4 307 B10R1.66 O=C(O)CCC1=CC=CS1 T46244 [0,0,0,0,2,0|2,0,0]=4 308 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 B69525 [0,0,0,0,0,2|2,0,0]=4