0 B13R1.148 CC(=O)N(C)CC1=CC(=CC=C1)N Z368504818 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.148 CC(CC1=CC(=CC=C1)Cl)C(=O)O Z513660282 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.148 CC(CC1=CC(=CC=C1)F)C(=O)O Z513660066 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.148 CC(OC1=CC(=CC=C1)Br)C(=O)O Z228583330 [0,0,0,0,0,0|2,0,0]=2 4 B13R1.148 CC(OC1=CC(=CC=C1)Cl)C(=O)N Z19740686 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.148 CC(OC1=CC(=CC=C1)Cl)C(=O)O Z57042071 [0,0,0,0,0,0|2,0,0]=2 6 B13R1.148 CC(OC1=CC(=CC=C1)F)C(=O)O Z228583338 [0,0,0,0,0,0|2,0,0]=2 7 B13R1.148 CC(OC1=CC(=CC=C1)N)C(=O)O Z274525908 [0,0,0,0,0,0|2,0,0]=2 8 B13R1.148 CC(OC1=CC(=CC=C1)O)C(=O)N Z381415416 [0,0,0,0,0,0|2,0,0]=2 9 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O Z2470414651 [0,0,0,0,0,0|2,0,0]=2 10 B13R1.148 CC1=CC(=CN=C1)CC(N)C(=O)O Z3401637181 [0,0,0,0,0,0|3,0,0]=3 11 B13R1.148 CC1=CC=CC(=C1)OC(C)C(=O)N Z19732836 [0,0,0,0,0,0|3,0,0]=3 12 B13R1.148 CC1=CC=CC(=C1)OC(C)C(=O)O Z56917379 [0,0,0,0,0,0|2,0,0]=2 13 B13R1.148 CC1=NC(=CC=C1)CC(N)C(=O)O Z4910394436 [0,0,0,0,0,0|3,0,0]=3 14 B13R1.148 C[N+]1=CC(=CC=C1)CC(N)C(=O)O Z3827376923 [0,0,0,0,0,0|3,0,0]=3 15 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O Z1770192944 [0,0,0,0,0,0|2,0,0]=2 16 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O Z1374884687 [0,0,0,0,0,0|2,0,0]=2 17 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O Z317025828 [0,0,0,0,0,0|1,0,0]=1 18 B13R1.148 NC(CC1=CC(=CN=C1)Br)C(=O)O Z3444795124 [0,0,0,0,0,0|3,0,0]=3 19 B13R1.148 NC(CC1=CC(=CN=C1)Cl)C(=O)O Z3353591955 [0,0,0,0,0,0|3,0,0]=3 20 B13R1.148 NC(CC1=CC(=CN=C1)F)C(=O)O Z3376051877 [0,0,0,0,0,0|3,0,0]=3 21 B13R1.148 NC(CC1=CC(=CN=C1)O)C(=O)O Z3400819408 [0,0,0,0,0,0|2,0,0]=2 22 B13R1.148 NC(CC1=CC(=NC=C1)O)C(=O)O Z3481534727 [0,0,0,0,0,0|2,0,0]=2 23 B13R1.148 NC(CC1=NC(=CC=N1)O)C(=O)O Z3326140144 [0,0,0,0,0,0|3,0,0]=3 24 B13R1.148 NC(CC1=NC=CC(=C1)Cl)C(=O)O Z3780525124 [0,0,0,0,0,0|3,0,0]=3 25 B13R1.148 NC(CC1=NC=NC(=C1)O)C(=O)O Z3531845722 [0,0,0,0,0,0|3,0,0]=3 26 B13R1.148 NC1=CC(=NC=C1)CC(N)C(=O)O Z3400147310 [0,0,0,0,0,0|3,0,0]=3 27 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O Z995228186 [0,0,0,0,0,0|1,0,0]=1 28 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O Z995228562 [0,0,0,0,0,0|1,0,0]=1 29 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)Cl Z1269030667 [0,0,0,0,0,0|2,0,0]=2 30 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O Z2980228149 [1,0,0,0,0,0|0,0,2]=3 31 B12R1.43 C/C(=C\C1=CC=NC=C1)/C(=O)O Z2466682039 [1,0,0,0,0,0|1,0,2]=4 32 B12R1.43 C/C(=C\C1=CN=CC=C1)/C(=O)O Z2467131746 [1,0,0,0,0,0|1,0,2]=4 33 B12R1.43 C/C(=C\C1=NC=CC=C1)/C(=O)O Z2467234655 [1,0,0,0,0,0|1,0,2]=4 34 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [1,0,0,0,0,0|2,0,0]=3 35 B12R1.43 CC(=O)N(C)CC1=CN=CC=C1 Z27006526 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [1,0,0,0,0,0|0,0,0]=1 37 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Z3477804988 [1,0,0,0,0,0|1,0,0]=2 38 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [1,0,0,0,0,0|1,0,0]=2 39 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [1,0,0,0,0,0|1,0,0]=2 40 B12R1.43 CC(OC1=CN=CC=C1)C(=O)O Z336080820 [1,0,0,0,0,0|2,0,0]=3 41 B12R1.43 CC(OC1=NC=CC=C1)C(=O)O Z360507460 [1,0,0,0,0,0|2,0,0]=3 42 B12R1.43 CC(SC1=CC=CC=C1)C(=O)N Z19751098 [1,0,0,0,0,0|2,0,0]=3 43 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [1,0,0,0,0,0|1,0,0]=2 44 B12R1.43 CC(SC1=NC=CC=C1)C(=O)N Z18886410 [1,0,0,0,0,0|3,0,0]=4 45 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O Z31250551 [1,0,0,0,0,0|2,0,0]=3 46 B12R1.43 CC(SC1=NC=CC=N1)C(=O)O Z31250552 [1,0,0,0,0,0|3,0,0]=4 47 B12R1.43 CN(CC1=CC=CC=C1)C(=O)N Z198194348 [1,0,0,0,0,0|2,0,0]=3 48 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N Z228582754 [1,0,0,0,0,0|2,1,0]=4 49 B12R1.43 CN(CC1=NC=CC=C1)C(=O)N Z431977624 [1,0,0,0,0,0|3,0,0]=4 50 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [1,0,0,0,0,0|0,0,0]=1 51 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [1,0,0,0,0,0|2,0,0]=3 52 B12R1.43 NC(=O)C(N)CC1=NC=CC=C1 Z4981909244 [1,0,0,0,0,0|3,0,0]=4 53 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [1,0,0,0,0,0|2,0,0]=3 54 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [1,0,0,0,0,0|2,0,0]=3 55 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [1,0,0,0,0,0|1,0,0]=2 56 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [1,0,0,0,0,0|2,0,0]=3 57 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [1,0,0,0,0,0|2,0,0]=3 58 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O Z3697694105 [1,0,0,0,0,0|3,0,0]=4 59 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [1,0,0,0,0,0|2,0,0]=3 60 B12R1.43 NC(CC1=NC=CC=N1)C(=O)O Z2432992279 [1,0,0,0,0,0|3,0,0]=4 61 B12R1.43 NC(CC1=NC=NC=C1)C(=O)O Z2470415568 [1,0,0,0,0,0|3,0,0]=4 62 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [1,0,0,0,0,0|1,0,0]=2 63 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [1,0,0,0,0,0|1,0,0]=2 64 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [1,0,0,0,0,0|1,0,1]=3 65 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 Z362848468 [1,0,0,0,0,0|2,0,1]=4 66 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [1,0,0,0,0,0|1,0,0]=2 67 B12R1.43 O=C(O)C(O)CC1=NC=CC=C1 Z3486862716 [1,0,0,0,0,0|2,0,0]=3 68 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [1,0,0,0,0,0|1,0,0]=2 69 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [1,0,0,0,0,0|1,0,0]=2 70 B12R1.50 CC1=CC(=CC=C1)CC(N)CO Z1801307645 [1,0,0,0,0,0|2,0,1]=4 71 B12R1.50 CNC(C)CC1=CC(=CC=C1)C Z2311236342 [1,0,0,0,0,0|3,0,0]=4 72 B12R1.50 NC(CO)CC1=CC(=CC=C1)F Z1198222234 [1,0,0,0,0,0|2,0,1]=4 73 B12R1.50 O=C(CC1=CC(=CC=C1)O)NO Z816010210 [1,0,0,0,0,0|2,0,1]=4 74 B12R1.226 CC(=O)CCC1=CC(=CC=C1)C Z406376778 [1,0,0,0,0,0|2,0,0]=3 75 B12R1.226 CC(=O)CCC1=CC(=CC=C1)F Z406376716 [1,0,0,0,0,0|2,0,0]=3 76 B12R1.226 CC(=O)NCC1=CC(=CC=C1)Br Z340632658 [1,0,0,0,0,0|3,0,0]=4 77 B12R1.226 CC(=O)NCC1=CC(=CC=C1)F Z340527618 [1,0,0,0,0,0|3,0,0]=4 78 B12R1.226 CC1=CC(=CC=C1)/C=C/C(=O)O Z2942851787 [1,0,0,0,0,0|1,0,2]=4 79 B12R1.226 CC1=CC(=CC=C1)CCC(=O)N Z194976514 [1,0,0,0,0,0|2,0,0]=3 80 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [1,0,0,0,0,0|1,0,0]=2 81 B12R1.226 CC1=CC(=CC=C1)NCC(=O)N Z104589324 [1,0,0,0,0,0|3,0,0]=4 82 B12R1.226 CC1=CC(=CC=C1)OCC(=O)N Z19732960 [1,0,0,0,0,0|3,0,0]=4 83 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O Z56899056 [1,0,0,0,0,0|2,0,0]=3 84 B12R1.226 CC1=CC(=CC=C1)SCC(=O)O Z778642574 [1,0,0,0,0,0|2,0,0]=3 85 B12R1.226 NC(=O)CCC1=CC(=CC=C1)N Z414316850 [1,0,0,0,0,0|2,0,0]=3 86 B12R1.226 NC(=O)CNC1=CC(=CC=C1)Br Z104587998 [1,0,0,0,0,0|3,0,0]=4 87 B12R1.226 NC(=O)CNC1=CC(=CC=C1)F Z104640682 [1,0,0,0,0,0|3,0,0]=4 88 B12R1.226 NC(=O)COC1=CC(=CC=C1)F Z19755608 [1,0,0,0,0,0|3,0,0]=4 89 B12R1.226 NC(=O)COC1=CC(=CC=C1)I Z25076202 [1,0,0,0,0,0|3,0,0]=4 90 B12R1.226 NC(=O)COC1=CC(=CC=C1)N Z235344273 [1,0,0,0,0,0|3,0,0]=4 91 B12R1.226 NC(=O)COC1=CC(=CC=C1)O Z381415558 [1,0,0,0,0,0|2,0,0]=3 92 B12R1.226 NC(=O)NCC1=CC(=CC=C1)F Z362629554 [1,0,0,0,0,0|3,0,0]=4 93 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O Z2942853438 [1,0,0,0,0,0|1,0,2]=4 94 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Br Z2312942093 [1,0,0,0,0,0|1,0,2]=4 95 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Cl Z2573655238 [1,0,0,0,0,0|1,0,2]=4 96 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)F Z2935925467 [1,0,0,0,0,0|1,0,2]=4 97 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)O Z247613734 [1,0,0,0,0,0|0,0,2]=3 98 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)O Z1518653071 [1,0,0,0,0,0|1,0,2]=4 99 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)O Z2633787192 [1,0,0,0,0,0|1,0,2]=4 100 B12R1.226 O=C(O)C#CC1=CC(=CC=C1)Cl Z1143242523 [1,0,0,0,0,0|1,0,2]=4 101 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [1,0,0,0,0,0|1,0,0]=2 102 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [1,0,0,0,0,0|1,0,0]=2 103 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [1,0,0,0,0,0|0,0,0]=1 104 B12R1.226 O=C(O)CCC1=CC(=CN=C1)F Z1262517660 [1,0,0,0,0,0|2,0,0]=3 105 B12R1.226 O=C(O)CCC1=CC(=CN=C1)O Z1504676734 [1,0,0,0,0,0|1,0,0]=2 106 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl Z274534700 [1,0,0,0,0,0|2,0,0]=3 107 B12R1.226 O=C(O)COC1=CC(=CC=C1)Br Z56812737 [1,0,0,0,0,0|2,0,0]=3 108 B12R1.226 O=C(O)COC1=CC(=CC=C1)Cl Z57008935 [1,0,0,0,0,0|2,0,0]=3 109 B12R1.226 O=C(O)COC1=CC(=CN=C1)Br Z1206892989 [1,0,0,0,0,0|3,0,0]=4 110 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Br Z255149890 [1,0,0,0,0,0|2,0,0]=3 111 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Cl Z994465872 [1,0,0,0,0,0|2,0,0]=3 112 B12R1.226 O=C(O)CSC1=CC(=CC=C1)F Z1198220671 [1,0,0,0,0,0|2,0,0]=3 113 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [1,0,0,0,0,0|1,0,0]=2 114 B14R1.75 C#CC1=CC=CC(=C1)NC(C)C(=O)O Z852756372 [0,1,0,0,0,0|2,0,0]=3 115 B14R1.75 CC(OC1=CC(=CC=C1)C#N)C(=O)O Z149253096 [0,1,0,0,0,0|2,0,0]=3 116 B14R1.75 CC(OC1=CC(=CC=C1)C=O)C(=O)O Z111577188 [0,1,0,0,0,0|1,0,1]=3 117 B14R1.75 CC(OC1=CC(=CC=C1)CO)C(=O)O Z839162766 [0,1,0,0,0,0|1,0,0]=2 118 B14R1.75 CC(SC1=CC(=CC=C1)C#N)C(=O)N Z1362472257 [0,1,0,0,0,0|3,0,0]=4 119 B14R1.75 COC1=CC(=CC=C1)/C=C(\C)/C(=O)O Z57229610 [0,1,0,0,0,0|0,0,2]=3 120 B14R1.75 COC1=CC(=CC=C1)CC(=O)C(=O)O Z271004522 [0,1,0,0,0,0|1,0,1]=3 121 B14R1.75 COC1=CC(=CC=C1)CC(N)C(=O)O Z317024998 [0,1,0,0,0,0|1,0,0]=2 122 B14R1.75 COC1=CC(=CC=C1)CC(O)C(=O)O Z1255373702 [0,1,0,0,0,0|1,0,0]=2 123 B14R1.135 C=CC(=O)N(C)CC1=CC(=CC=C1)Cl Z440634278 [0,1,0,0,0,0|3,0,0]=4 124 B14R1.135 CC(OC1=CC(=CC=C1)Br)C(=O)NN Z56948380 [0,1,0,0,0,0|3,0,0]=4 125 B14R1.135 CC1=CC=CC(=C1)CN(C)C(=O)CCl Z381548370 [0,1,0,0,0,0|3,0,0]=4 126 B14R1.135 CN(CC1=CC(=CC=C1)Cl)C(=O)CCl Z118612846 [0,1,0,0,0,0|3,0,0]=4 127 B14R1.135 CN(CC1=CC(=CC=C1)F)C(=O)CCl Z94601336 [0,1,0,0,0,0|3,0,0]=4 128 B14R1.135 COC(=O)C(C)OC1=CC(=CC=C1)C Z54178710 [0,1,0,0,0,0|2,0,0]=3 129 B14R1.135 COC(=O)C(F)CC1=CC(=CC=C1)N Z4544308432 [0,1,0,0,0,0|2,0,0]=3 130 B14R1.135 COC(=O)C(N)CC1=CC(=CC=C1)Br Z3333650468 [0,1,0,0,0,0|2,0,0]=3 131 B14R1.135 COC(=O)C(N)CC1=CC(=CC=C1)Cl Z4790981271 [0,1,0,0,0,0|2,0,0]=3 132 B14R1.135 COC(=O)C(N)CC1=NC(=CC=C1)C Z4911926286 [0,1,0,0,0,0|3,0,0]=4 133 B14R1.135 COC(=O)C(N)CC1=NC(=CC=N1)O Z3484625100 [0,1,0,0,0,0|3,0,0]=4 134 B14R1.150 CC(=O)N(C)C(C)C1=CC(=CC=C1)Cl Z343100970 [0,1,0,0,0,0|3,0,0]=4 135 B14R1.153 CC(OC1=C(C(=CC=C1)Cl)Cl)C(=O)O Z65586699 [0,1,0,0,0,0|2,0,0]=3 136 B14R1.153 CC1=CC=CC(=C1C)NC(C)C(=O)N Z45202427 [0,1,0,0,0,0|3,0,0]=4 137 B14R1.153 CC1=CC=CC(=C1C)OC(C)C(=O)N Z24763131 [0,1,0,0,0,0|3,0,0]=4 138 B14R1.153 CC1=CC=CC(=C1C)OC(C)C(=O)O Z228583448 [0,1,0,0,0,0|2,0,0]=3 139 B14R1.542 CC1=CC(=CC=C1)CC(CN)C(=O)O Z1473553886 [0,1,0,0,0,0|1,0,0]=2 140 B14R1.542 CCC(CC1=CC(=CC=C1)Br)C(=O)O Z513660416 [0,1,0,0,0,0|1,0,0]=2 141 B14R1.542 CCC(OC1=CC(=CC=C1)C)C(=O)O Z111782230 [0,1,0,0,0,0|2,0,0]=3 142 B14R1.542 CCN(CC1=CC(=CC=C1)N)C(=O)C Z380830752 [0,1,0,0,0,0|3,0,0]=4 143 B14R1.542 NCC(CC1=CC(=CC=C1)Cl)C(=O)O Z1222278653 [0,1,0,0,0,0|1,0,0]=2 144 B14R1.542 NCC(CC1=CC(=CC=C1)O)C(=O)O Z2690874822 [0,1,0,0,0,0|0,0,0]=1 145 B14R1.686 C/C(=C\C1=CC(=C(C=C1)F)F)/C(=O)O Z2757550092 [0,1,0,0,0,0|1,0,2]=4 146 B14R1.686 CC(CC1=CC(=C(C=C1)F)Br)C(=O)O Z756390562 [0,1,0,0,0,0|1,0,0]=2 147 B14R1.686 CC(CC1=CC(=C(C=C1)F)F)C(=O)O Z1341747667 [0,1,0,0,0,0|1,0,0]=2 148 B14R1.686 CC(CC1=CC(=C(C=C1)O)O)C(=O)O Z1198162859 [0,1,0,0,0,0|0,0,0]=1 149 B14R1.686 CC(OC1=CC(=C(C=C1)Cl)Cl)C(=O)O Z65558816 [0,1,0,0,0,0|2,0,0]=3 150 B14R1.686 CC(OC1=CC(=C(C=C1)F)Cl)C(=O)N Z18430620 [0,1,0,0,0,0|3,0,0]=4 151 B14R1.686 CC(OC1=CC(=C(C=C1)F)F)C(=O)O Z228583520 [0,1,0,0,0,0|2,0,0]=3 152 B14R1.686 CC(SC1=CC(=C(C=C1)F)Cl)C(=O)N Z66242014 [0,1,0,0,0,0|3,0,0]=4 153 B14R1.686 CC(SC1=CC(=C(C=C1)F)F)C(=O)O Z92657116 [0,1,0,0,0,0|2,0,0]=3 154 B14R1.686 CC1=C(C=C(C=C1)CC(N)C(=O)O)C Z2238618571 [0,1,0,0,0,0|2,0,0]=3 155 B14R1.686 CC1=C(C=C(C=C1)CC(S)C(=O)O)C Z57982188 [0,1,0,0,0,0|2,0,0]=3 156 B14R1.686 CC1=C(C=CC(=C1)OC(C)C(=O)N)Cl Z18758208 [0,1,0,0,0,0|3,0,0]=4 157 B14R1.686 CC1=C(C=CC(=C1)OC(C)C(=O)O)Cl Z149187304 [0,1,0,0,0,0|2,0,0]=3 158 B14R1.686 CN(CC1=CC(=C(C=C1)Cl)F)C(=O)N Z1541785336 [0,1,0,0,0,0|3,0,0]=4 159 B14R1.686 CN(CC1=CC(=C(C=C1)F)Cl)C(=O)N Z1869495222 [0,1,0,0,0,0|3,0,0]=4 160 B14R1.686 NC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)O Z317025744 [0,1,0,0,0,0|2,0,0]=3 161 B14R1.686 NC(CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5185412106 [0,1,0,0,0,0|2,0,0]=3 162 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)Br)C(=O)O Z1269188313 [0,1,0,0,0,0|2,0,0]=3 163 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)I)C(=O)O Z1269198907 [0,1,0,0,0,0|2,0,0]=3 164 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z756440064 [0,1,0,0,0,0|1,0,0]=2 165 B14R1.686 N[C@H](CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5212272143 [0,1,0,0,0,0|2,0,0]=3 166 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z1255419382 [0,1,0,0,0,0|1,0,0]=2 167 B14R1.686 O=C(O)C(=O)CC1=CC(=C(C=C1)Cl)Cl Z234896633 [0,1,0,0,0,0|2,0,1]=4 168 B14R1.4257 CC(OC1=CC(=CC(=C1)Cl)Cl)C(=O)O Z441805172 [0,1,0,0,0,0|2,0,0]=3 169 B14R1.4257 CC1=CC(=CC(=C1)CC(N)C(=O)O)C Z1259273092 [0,1,0,0,0,0|2,0,0]=3 170 B14R1.4257 CC1=CC(=CC(=C1)OC(C)C(=O)N)C Z18469721 [0,1,0,0,0,0|3,0,0]=4 171 B14R1.4257 NC(CC1=CC(=CC(=C1)Cl)Cl)C(=O)O Z1416200972 [0,1,0,0,0,0|2,0,0]=3 172 B14R1.4257 NC1=CC(=CC(=C1)CC(N)C(=O)O)N Z3282761044 [0,1,0,0,0,0|2,0,0]=3 173 B14R1.4257 O=C(O)C(O)CC1=CC(=CC(=C1)Cl)Cl Z1813095346 [0,1,0,0,0,0|2,0,0]=3 174 B14R1.4404 CC(C)(CC1=CC(=CC=C1)Cl)C(=O)O Z995179628 [0,1,0,0,0,0|1,0,0]=2 175 B14R1.4404 CC(C)(OC1=CC(=CC=C1)Br)C(=O)O Z803506418 [0,1,0,0,0,0|2,0,0]=3 176 B14R1.4404 CC(C)(OC1=CC(=CC=C1)Cl)C(=O)O Z274535144 [0,1,0,0,0,0|2,0,0]=3 177 B14R1.4405 CN(CC1=CC(=CC=C1)O)S(=O)(=O)C Z1238656964 [0,1,0,0,0,0|2,0,1]=4 178 B14R1.4474 CC(OC1=C(C=CC(=C1)Cl)Cl)C(=O)N Z14773899 [0,1,0,0,0,0|3,0,0]=4 179 B14R1.4474 CC(SC1=C(C=CC(=C1)Cl)Cl)C(=O)O Z56279684 [0,1,0,0,0,0|2,0,0]=3 180 B14R1.4474 CC(SC1=C(C=CC(=C1)F)F)C(=O)N Z92610122 [0,1,0,0,0,0|3,0,0]=4 181 B14R1.4474 CC1=CC(=C(C=C1)C)SC(C)C(=O)N Z25045983 [0,1,0,0,0,0|3,0,0]=4 182 B14R1.4474 CC1=CC(=C(C=C1)Cl)OC(C)C(=O)O Z228583432 [0,1,0,0,0,0|2,0,0]=3 183 B14R1.4474 CN(CC1=C(C=CC(=C1)Cl)F)C(=O)N Z1877862949 [0,1,0,0,0,0|3,0,0]=4 184 B14R1.4474 NC(CC1=C(C=CC(=C1)Cl)Cl)C(=O)O Z5010675411 [0,1,0,0,0,0|2,0,0]=3 185 B14R2.4473 CC1=CC=CC(=C1)C2NC(=O)C2C Z2065766482 [0,0,0,1,0,0|2,0,0]=3 186 B14R2.4476 CC1=CC(=CC=C1)[C@@H]2C[C@H]2C(=O)O Z2306910179 [0,0,0,1,0,0|1,0,0]=2 187 B14R2.4476 O=C(O)C1CC1C2=CC(=CC=C2)O Z1216651566 [0,0,0,1,0,0|0,0,0]=1 188 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC=C2)Br Z2251736248 [0,0,0,1,0,0|1,0,0]=2 189 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC=C2)Cl Z2250620212 [0,0,0,1,0,0|1,0,0]=2 190 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC=C2)F Z2309887928 [0,0,0,1,0,0|1,0,0]=2 191 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC(=CC=C2)O Z1262554401 [0,0,0,1,0,0|0,0,0]=1 192 B14R2.4529 CC(=O)N1CC2=C(C1)C=C(C=C2)N Z1192341021 [0,0,0,1,0,0|3,0,0]=4 193 B14R2.4529 CC1=CC2=C(C=C1)CC(S2)C(=O)O Z223677100 [0,0,0,1,0,0|2,0,0]=3 194 B14R2.4529 NC(=O)C1CC2=C(O1)C=CC(=C2)N Z4762517556 [0,0,0,1,0,0|3,0,0]=4 195 B14R2.4529 NC1=CC2=C(C=C1)NC(C2)C(=O)O Z3325140518 [0,0,0,1,0,0|2,0,0]=3 196 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)O Z2894427530 [0,0,0,1,0,0|1,0,2]=4 197 B14R2.4529 O=C(O)C1CC2=C(C1)C=C(C=C2)F Z1262528526 [0,0,0,1,0,0|1,0,0]=2 198 B14R2.4529 O=C(O)C1CC2=C(C1)N=CC(=C2)Br Z3301448719 [0,0,0,1,0,0|2,0,0]=3 199 B14R2.4529 O=C(O)C1CC2=C(O1)C=C(C=C2)Br Z2751941707 [0,0,0,1,0,0|2,0,0]=3 200 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)Br Z1269223909 [0,0,0,1,0,0|2,0,0]=3 201 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)Cl Z104341198 [0,0,0,1,0,0|2,0,0]=3 202 B14R2.7969 CC1=C2CC(NC2=CC=C1)C(=O)O Z2695869272 [0,0,0,1,0,0|2,0,0]=3 203 B14R2.7969 CC1=C2CC(OC2=CC=C1)C(=O)O Z1262544184 [0,0,0,1,0,0|2,0,0]=3 204 B14R2.7969 CC1=C2OC(CC2=CC=C1)C(=O)O Z1262521699 [0,0,0,1,0,0|2,0,0]=3 205 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)O Z1201622528 [0,0,0,1,0,0|1,0,2]=4 206 B14R2.7969 O=C(O)C1CC2=C(C=CC=C2O1)F Z1813140041 [0,0,0,1,0,0|2,0,0]=3 207 B14R2.7969 O=C(O)C1CC2=C(C=CC=C2S1)F Z228589552 [0,0,0,1,0,0|2,0,0]=3 208 B14R2.7969 O=C(O)C1CC2=C(O1)C(=CC=C2)F Z1259128059 [0,0,0,1,0,0|2,0,0]=3 209 B14R2.8239 CC1=CC2=C(C=C1)NC(=O)C(O2)C Z1201628422 [0,0,0,1,0,0|3,0,0]=4 210 B14R2.8239 CC1OC2=C(C=CC(=C2)Br)NC1=O Z1269153419 [0,0,0,1,0,0|3,0,0]=4 211 B14R2.8239 CN1CC2=C(C=CC(=C2)Br)NC1=O Z57473912 [0,0,0,1,0,0|3,0,0]=4 212 B14R2.8239 CN1CC2=C(C=CC(=C2)N)NC1=O Z1532736797 [0,0,0,1,0,0|3,0,0]=4 213 B12R1.104 CC(CC1=CN(N=C1)C)C(=O)O Z959330822 [0,0,0,0,1,0|3,0,0]=4 214 B12R1.104 CC1=NN(C=C1)CC(C)C(=O)O Z1198160947 [0,0,0,0,1,0|3,0,0]=4 215 B12R1.104 NC(CC1=CSC(=C1)Cl)C(=O)O Z3464487109 [0,0,0,0,1,0|3,0,0]=4 216 B12R1.145 CC1=NC=CN1CC(C)C(=O)O Z57912371 [0,0,0,0,1,0|3,0,0]=4 217 B12R1.145 NC(CC1=C(SC=C1)Cl)C(=O)O Z3337480266 [0,0,0,0,1,0|3,0,0]=4 218 B12R1.225 CC(=O)C(O)C1=CC(=CC=C1)Cl Z1255467340 [0,0,0,0,1,0|3,0,0]=4 219 B12R1.225 CC(=O)N(C)C1=CC(=CC=C1)N Z802628524 [0,0,0,0,1,0|3,0,0]=4 220 B12R1.225 CC(C(=O)O)C1=CC(=CC=C1)F Z792377330 [0,0,0,0,1,0|1,0,0]=2 221 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C Z1176485649 [0,0,0,0,1,0|3,0,0]=4 222 B12R1.225 CC1=CC(=CC=C1)C(=O)C(=O)O Z1255379743 [0,0,0,0,1,0|2,0,1]=4 223 B12R1.225 CC1=CC(=CC=C1)C(N)C(=O)O Z317024596 [0,0,0,0,1,0|2,0,0]=3 224 B12R1.225 CC1=CC(=CC=C1)C(O)C(=O)O Z788000614 [0,0,0,0,1,0|2,0,0]=3 225 B12R1.225 CC1=CC=CC(=C1)C(C)C(=O)O Z802854000 [0,0,0,0,1,0|1,0,0]=2 226 B12R1.225 CN(C(=O)N)C1=CC(=CC=C1)N Z802629090 [0,0,0,0,1,0|3,0,0]=4 227 B12R1.225 C[C@@H](C1=CC(=CC=C1)O)N(C)C Z1198169241 [0,0,0,0,1,0|3,0,0]=4 228 B12R1.225 NC(=O)C(N)C1=CC(=CC=C1)Br Z477338262 [0,0,0,0,1,0|3,0,0]=4 229 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)Br Z317024672 [0,0,0,0,1,0|2,0,0]=3 230 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)Cl Z317024654 [0,0,0,0,1,0|2,0,0]=3 231 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)F Z317024592 [0,0,0,0,1,0|2,0,0]=3 232 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)I Z3477438782 [0,0,0,0,1,0|2,0,0]=3 233 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)O Z1532541074 [0,0,0,0,1,0|1,0,0]=2 234 B12R1.225 NC1=CC(=CC=C1)C(O)C(=O)O Z1262512603 [0,0,0,0,1,0|2,0,0]=3 235 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)Br Z788000730 [0,0,0,0,1,0|2,0,0]=3 236 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)Cl Z788000712 [0,0,0,0,1,0|2,0,0]=3 237 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)F Z788000610 [0,0,0,0,1,0|2,0,0]=3 238 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)I Z1269151011 [0,0,0,0,1,0|2,0,0]=3 239 B14R1.5956 C=C(COC1=CC(=CC=C1)Br)C(=O)O Z1197868056 [0,0,0,0,0,1|1,0,2]=4 240 B14R1.5956 C=C(COC1=CC(=CC=C1)Cl)C(=O)O Z1197868060 [0,0,0,0,0,1|1,0,2]=4 241 B14R1.5956 CC(CCC1=CC(=CC=C1)F)C(=O)O Z1259341391 [0,0,0,0,0,1|1,0,0]=2 242 B14R1.5956 CC(NCC1=CC(=CC=C1)F)C(=O)O Z426041634 [0,0,0,0,0,1|1,0,0]=2 243 B14R1.5956 CC(SCC1=CC(=CC=C1)Cl)C(=O)N Z742590214 [0,0,0,0,0,1|2,0,0]=3 244 B14R1.5978 CC(=O)NC(C)CC1=CC(=CC=C1)Br Z844206202 [0,0,0,0,0,1|2,0,0]=3 245 B14R1.5978 CC(CC(=O)O)CC1=CC(=CC=C1)F Z1295543728 [0,0,0,0,0,1|1,0,0]=2 246 B14R1.5978 CN(CC(=O)N)CC1=CC(=CC=C1)Cl Z54506183 [0,0,0,0,0,1|3,0,0]=4 247 B14R1.5978 CN(CC(=O)N)CC1=CC(=CC=C1)F Z54758298 [0,0,0,0,0,1|3,0,0]=4 248 B14R1.5978 CN(CC(=O)O)CC1=CC(=CC=C1)Cl Z1459897420 [0,0,0,0,0,1|2,0,0]=3 249 B11R1.40 C/C(=C\C1=CC=CC=C1)/C=O Z3219847417 [2,0,0,0,0,0|0,0,2]=4 250 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [2,0,0,0,0,0|0,0,0]=2 251 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [2,0,0,0,0,0|2,0,0]=4 252 B11R1.40 CN(CC1=CC=CC=C1)N=O Z1198147495 [2,0,0,0,0,0|2,0,0]=4 253 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [2,0,0,0,0,0|1,0,1]=4 254 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [2,0,0,0,0,0|1,0,1]=4 255 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [2,0,0,0,0,0|1,0,1]=4 256 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [2,0,0,0,0,0|2,0,0]=4 257 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [2,0,0,0,0,0|2,0,0]=4 258 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [2,0,0,0,0,0|2,0,0]=4 259 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [2,0,0,0,0,0|2,0,0]=4 260 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [2,0,0,0,0,0|1,0,0]=3 261 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [2,0,0,0,0,0|2,0,0]=4 262 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [2,0,0,0,0,0|2,0,0]=4 263 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [2,0,0,0,0,0|2,0,0]=4 264 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [2,0,0,0,0,0|2,0,0]=4 265 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [2,0,0,0,0,0|2,0,0]=4 266 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [2,0,0,0,0,0|2,0,0]=4 267 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [2,0,0,0,0,0|1,1,0]=4 268 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [2,0,0,0,0,0|0,0,2]=4 269 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [2,0,0,0,0,0|0,0,2]=4 270 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [2,0,0,0,0,0|0,0,0]=2 271 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [2,0,0,0,0,0|1,0,0]=3 272 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [2,0,0,0,0,0|1,0,0]=3 273 B11R1.91 O=C(O)CCC1=CN=CN=C1 Z1198279878 [2,0,0,0,0,0|2,0,0]=4 274 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [2,0,0,0,0,0|1,0,0]=3 275 B11R1.91 O=C(O)CCC1=NC=CC=N1 Z1255372831 [2,0,0,0,0,0|2,0,0]=4 276 B11R1.91 O=C(O)CCC1=NC=CN=C1 Z1198184629 [2,0,0,0,0,0|2,0,0]=4 277 B11R1.91 O=C(O)CCC1=NC=NC=C1 Z1184882132 [2,0,0,0,0,0|2,0,0]=4 278 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [2,0,0,0,0,0|1,0,0]=3 279 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [2,0,0,0,0,0|2,0,0]=4 280 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [2,0,0,0,0,0|2,0,0]=4 281 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [2,0,0,0,0,0|2,0,0]=4 282 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [2,0,0,0,0,0|1,0,0]=3 283 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [2,0,0,0,0,0|2,0,0]=4 284 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [2,0,0,0,0,0|1,0,0]=3 285 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [2,0,0,0,0,0|2,0,0]=4 286 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [2,0,0,0,0,0|2,0,0]=4 287 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [2,0,0,0,0,0|1,0,1]=4 288 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [2,0,0,0,0,0|1,0,1]=4 289 B11R1.24 C=CCCC1=CC=CC(=C1)Br Z1269162615 [2,0,0,0,0,0|2,0,0]=4 290 B11R1.24 CC1=CC(=CC=C1)CCCO Z979436642 [2,0,0,0,0,0|1,0,1]=4 291 B11R1.24 CC1=CC(=CN=C1)CCC=O Z1492427371 [2,0,0,0,0,0|2,0,0]=4 292 B11R1.24 CNCCC1=CC(=CC=C1)O Z4924737523 [2,0,0,0,0,0|2,0,0]=4 293 B11R1.24 COCCC1=CC(=CC=C1)O Z1513911027 [2,0,0,0,0,0|2,0,0]=4 294 B11R1.24 NC1=CC(=CC=C1)CCCO Z1198265859 [2,0,0,0,0,0|1,0,1]=4 295 B11R1.24 NCCCC1=CC(=CC=C1)O Z1895582955 [2,0,0,0,0,0|1,0,1]=4 296 B11R1.24 O=CCCC1=CC=CC(=C1)Cl Z993017744 [2,0,0,0,0,0|1,0,0]=3 297 B11R1.24 O=CCCC1=CC=CC(=C1)F Z993017622 [2,0,0,0,0,0|1,0,0]=3 298 B11R1.24 O=CCCC1=CN=CC(=C1)F Z1233207916 [2,0,0,0,0,0|2,0,0]=4 299 B11R1.157 CC(=O)CC1=CC(=CC=C1)Br Z513735382 [2,0,0,0,0,0|1,0,1]=4 300 B11R1.157 CC(=O)CC1=CC(=CC=C1)Cl Z513733552 [2,0,0,0,0,0|1,0,1]=4 301 B11R1.157 CC(=O)CC1=CC(=CC=C1)F Z329711550 [2,0,0,0,0,0|1,0,1]=4 302 B11R1.157 CC(=O)NC1=CC(=CC=C1)O Z31717082 [2,0,0,0,0,0|1,0,1]=4 303 B11R1.157 CC(C)CC1=CC(=CC=C1)I Z1618143122 [2,0,0,0,0,0|1,0,1]=4 304 B11R1.157 CC(C)NC1=CC(=CC=C1)O Z335562192 [2,0,0,0,0,0|1,0,1]=4 305 B11R1.157 CC(C)OC1=CC(=CC=C1)O Z381415570 [2,0,0,0,0,0|1,0,1]=4 306 B11R1.157 CC(N)CC1=CC(=CC=C1)Br Z1259341031 [2,0,0,0,0,0|2,0,0]=4 307 B11R1.157 CC(N)CC1=CC(=CC=C1)Cl Z425389644 [2,0,0,0,0,0|2,0,0]=4 308 B11R1.157 CC(N)CC1=CC(=CC=C1)O Z285144026 [2,0,0,0,0,0|1,0,0]=3 309 B11R1.157 CC(O)CC1=CC(=CC=C1)F Z513751286 [2,0,0,0,0,0|1,0,0]=3 310 B11R1.157 CS(=O)CC1=CC(=CC=C1)N Z802580778 [2,0,0,0,0,0|2,0,0]=4 311 B11R1.157 NC(=O)CC1=CC(=CC=C1)O Z816010252 [2,0,0,0,0,0|1,0,1]=4 312 B11R1.157 O=C(O)CC1=CC(=CC=C1)O Z816000338 [2,0,0,0,0,0|1,0,1]=4 313 B13R1.133 C/C(=C\C1=CC=C(C=C1)F)/C(=O)O Z1350606414 [1,1,0,0,0,0|0,0,2]=4 314 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)N Z1551999220 [1,1,0,0,0,0|1,0,0]=3 315 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)O Z513659390 [1,1,0,0,0,0|0,0,0]=2 316 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O Z513659166 [1,1,0,0,0,0|0,0,0]=2 317 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)O Z513658938 [1,1,0,0,0,0|0,0,0]=2 318 B13R1.133 CC(CC1=CC=C(C=C1)N)C(=O)O Z1262515083 [1,1,0,0,0,0|0,0,0]=2 319 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O Z56347385 [1,1,0,0,0,0|1,0,0]=3 320 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)N Z19727416 [1,1,0,0,0,0|2,0,0]=4 321 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O Z56922097 [1,1,0,0,0,0|1,0,0]=3 322 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O Z90662162 [1,1,0,0,0,0|1,0,0]=3 323 B13R1.133 CC(OC1=CC=C(C=C1)O)C(=O)N Z381414584 [1,1,0,0,0,0|2,0,0]=4 324 B13R1.133 CC(SC1=CC=C(C=C1)Br)C(=O)N Z18744282 [1,1,0,0,0,0|2,0,0]=4 325 B13R1.133 CC(SC1=CC=C(C=C1)Br)C(=O)O Z56278798 [1,1,0,0,0,0|1,0,0]=3 326 B13R1.133 CC(SC1=CC=C(C=C1)Cl)C(=O)O Z55179957 [1,1,0,0,0,0|1,0,0]=3 327 B13R1.133 CC(SC1=CC=C(C=C1)F)C(=O)N Z16034529 [1,1,0,0,0,0|2,0,0]=4 328 B13R1.133 CC(SC1=CC=C(C=C1)F)C(=O)O Z56279369 [1,1,0,0,0,0|1,0,0]=3 329 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O Z271004544 [1,1,0,0,0,0|1,0,1]=4 330 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O Z513658700 [1,1,0,0,0,0|0,0,0]=2 331 B13R1.133 CC1=CC=C(C=C1)CN(C)C(=O)N Z198194138 [1,1,0,0,0,0|2,0,0]=4 332 B13R1.133 CC1=CC=C(C=C1)OC(C)C(=O)O Z56915889 [1,1,0,0,0,0|1,0,0]=3 333 B13R1.133 CC1=CC=C(C=C1)SC(C)C(=O)N Z18769844 [1,1,0,0,0,0|2,0,0]=4 334 B13R1.133 CC1=CC=C(C=C1)SC(C)C(=O)O Z56278800 [1,1,0,0,0,0|1,0,0]=3 335 B13R1.133 C[C@H](OC1=CC=C(C=C1)Cl)C(=O)O Z1508916088 [1,1,0,0,0,0|1,0,0]=3 336 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)Cl Z2065464318 [1,1,0,0,0,0|2,0,0]=4 337 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O Z3211890270 [1,1,0,0,0,0|2,0,0]=4 338 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O Z317024982 [1,1,0,0,0,0|1,0,0]=3 339 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O Z57969728 [1,1,0,0,0,0|1,0,0]=3 340 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O Z1263631851 [1,1,0,0,0,0|1,0,0]=3 341 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [1,1,0,0,0,0|1,0,0]=3 342 B13R1.133 NC(CC1=CN=C(C=C1)O)C(=O)O Z3543676837 [1,1,0,0,0,0|2,0,0]=4 343 B13R1.133 NC(CC1=NC=C(C=C1)Cl)C(=O)O Z3499018105 [1,1,0,0,0,0|2,0,0]=4 344 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O Z995228058 [1,1,0,0,0,0|1,0,0]=3 345 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O Z1269142887 [1,1,0,0,0,0|1,0,0]=3 346 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756440046 [1,1,0,0,0,0|1,0,0]=3 347 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O Z995228428 [1,1,0,0,0,0|1,0,0]=3 348 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O Z995228438 [1,1,0,0,0,0|1,0,0]=3 349 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O Z1269112635 [1,1,0,0,0,0|1,0,0]=3 350 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O Z969739284 [1,1,0,0,0,0|1,0,0]=3 351 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)F Z57388220 [1,1,0,0,0,0|1,0,0]=3 352 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)F Z1255373692 [1,1,0,0,0,0|1,0,0]=3 353 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CCl Z56862395 [1,1,0,0,0,0|2,0,0]=4 354 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CN Z54748693 [1,1,0,0,0,0|2,0,0]=4 355 B13R1.135 CNC(=O)C(C)OC1=CC=CC=C1 Z32016970 [1,1,0,0,0,0|2,0,0]=4 356 B13R1.135 CNC(=O)C(C)SC1=CC=CC=C1 Z30271703 [1,1,0,0,0,0|2,0,0]=4 357 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 Z1449756300 [1,1,0,0,0,0|2,0,0]=4 358 B13R1.135 CNC(=O)N(C)CC1=CC=CC=C1 Z177087670 [1,1,0,0,0,0|2,0,0]=4 359 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 Z56867313 [1,1,0,0,0,0|1,0,0]=3 360 B13R1.135 COC(=O)C(N)CC1=CC=NC=C1 Z2197092950 [1,1,0,0,0,0|2,0,0]=4 361 B13R1.152 CC(C(=O)O)C(N)C1=CC=CC=C1 Z1272096620 [1,1,0,0,0,0|0,0,0]=2 362 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)N Z2182115487 [1,1,0,0,0,0|2,0,0]=4 363 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O Z802846100 [1,1,0,0,0,0|1,0,0]=3 364 B13R1.152 CC(C1=CC=CC=C1)C(O)C(=O)O Z802846688 [1,1,0,0,0,0|1,0,0]=3 365 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 Z1649893051 [1,1,0,0,0,0|1,0,0]=3 366 B13R1.202 CC(=O)N(C)CC1=C(C=CC=C1)N Z362599820 [1,1,0,0,0,0|2,0,0]=4 367 B13R1.202 CC(CC1=C(C=CC=C1)Cl)C(=O)O Z513661398 [1,1,0,0,0,0|0,0,0]=2 368 B13R1.202 CC(CC1=C(C=CC=C1)F)C(=O)O Z513661176 [1,1,0,0,0,0|0,0,0]=2 369 B13R1.202 CC(OC1=C(C=CC=C1)Br)C(=O)O Z228583522 [1,1,0,0,0,0|1,0,0]=3 370 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)N Z19726502 [1,1,0,0,0,0|2,0,0]=4 371 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O Z65532924 [1,1,0,0,0,0|1,0,0]=3 372 B13R1.202 CC(OC1=C(C=CC=C1)F)C(=O)O Z65532537 [1,1,0,0,0,0|1,0,0]=3 373 B13R1.202 CC(SC1=C(C=CC=C1)Br)C(=O)N Z166221244 [1,1,0,0,0,0|2,0,0]=4 374 B13R1.202 CC(SC1=C(C=CC=C1)Cl)C(=O)N Z18459330 [1,1,0,0,0,0|2,0,0]=4 375 B13R1.202 CC(SC1=C(C=CC=C1)Cl)C(=O)O Z56278782 [1,1,0,0,0,0|1,0,0]=3 376 B13R1.202 CC(SC1=C(C=CC=C1)F)C(=O)N Z18098319 [1,1,0,0,0,0|2,0,0]=4 377 B13R1.202 CC1=C(C=CC=C1)CC(C)C(=O)O Z513660952 [1,1,0,0,0,0|0,0,0]=2 378 B13R1.202 CC1=C(C=CC=C1)OC(C)C(=O)N Z19733750 [1,1,0,0,0,0|2,0,0]=4 379 B13R1.202 NC(=O)C(N)CC1=C(C=CC=C1)Cl Z1258519447 [1,1,0,0,0,0|2,0,0]=4 380 B13R1.202 NC(CC1=C(C=CC=C1)Br)C(=O)O Z2217033050 [1,1,0,0,0,0|1,0,0]=3 381 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O Z1065645436 [1,1,0,0,0,0|1,0,0]=3 382 B13R1.202 NC(CC1=C(N=CC=C1)O)C(=O)O Z3492296846 [1,1,0,0,0,0|2,0,0]=4 383 B13R1.202 O=C(O)C(O)CC1=C(C=CC=C1)Cl Z1269030424 [1,1,0,0,0,0|1,0,0]=3 384 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)O Z513624620 [1,1,0,0,0,0|0,0,0]=2 385 B13R1.418 CCC(NC1=CC=CC=C1)C(=O)N Z727617676 [1,1,0,0,0,0|2,0,0]=4 386 B13R1.418 CCC(NC1=CC=CC=C1)C(=O)O Z274534828 [1,1,0,0,0,0|1,0,0]=3 387 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O Z104484470 [1,1,0,0,0,0|1,0,0]=3 388 B13R1.418 CCC(SC1=CC=CC=C1)C(=O)O Z149157470 [1,1,0,0,0,0|1,0,0]=3 389 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O Z446011606 [1,1,0,0,0,0|0,0,0]=2 390 B13R1.418 COC(CC1=CC=CC=C1)C(=O)N Z2233706113 [1,1,0,0,0,0|1,0,0]=3 391 B13R1.418 COC(CC1=CC=CC=C1)C(=O)O Z1258977185 [1,1,0,0,0,0|0,0,0]=2 392 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O Z1258578382 [1,1,0,0,0,0|0,0,0]=2 393 B13R1.418 NCC(CC1=CC=NC=C1)C(=O)O Z2382197013 [1,1,0,0,0,0|1,0,0]=3 394 B13R1.418 NCC(CC1=CN=CC=C1)C(=O)O Z1601464443 [1,1,0,0,0,0|1,0,0]=3 395 B13R1.418 NCC(CC1=NC=CC=C1)C(=O)O Z1259273372 [1,1,0,0,0,0|1,0,0]=3 396 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O Z995179618 [1,1,0,0,0,0|0,0,0]=2 397 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)N Z727617504 [1,1,0,0,0,0|2,0,0]=4 398 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)O Z274535156 [1,1,0,0,0,0|1,0,0]=3 399 B13R1.1073 CC(C)(NC1=NC=CC=C1)C(=O)O Z1416165025 [1,1,0,0,0,0|2,0,0]=4 400 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O Z640389616 [1,1,0,0,0,0|1,0,0]=3 401 B13R1.1073 CC(C)(OC1=CN=CC=C1)C(=O)O Z1255405619 [1,1,0,0,0,0|2,0,0]=4 402 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O Z2680629352 [1,1,0,0,0,0|0,0,0]=2 403 B13R1.1073 CC(N)(CC1=CC=NC=C1)C(=O)O Z1251361035 [1,1,0,0,0,0|1,0,0]=3 404 B13R1.1073 CC(N)(CC1=NC=CC=C1)C(=O)O Z4830335089 [1,1,0,0,0,0|1,0,0]=3 405 B13R1.1073 CC(O)(CC1=CC=CC=C1)C(=O)O Z1079110682 [1,1,0,0,0,0|0,0,0]=2 406 B13R1.1073 C[C@@](O)(CC1=CC=CC=C1)C(=O)O Z1198165765 [1,1,0,0,0,0|0,0,0]=2 407 B13R1.1073 C[C@](O)(CC1=CC=CC=C1)C(=O)O Z1198165764 [1,1,0,0,0,0|0,0,0]=2 408 B13R1.1073 O=C(O)C(F)(F)OC1=CC=CC=C1 Z445134424 [1,1,0,0,0,0|2,0,0]=4 409 B13R1.146 CC1=CC(=CC=C1)CC(CN)CO Z285055118 [1,1,0,0,0,0|1,0,1]=4 410 B13R1.146 NCC(CO)CC1=CC(=CC=C1)F Z285055090 [1,1,0,0,0,0|1,0,1]=4 411 B13R1.15 COC(=O)CCC1=CC(=CC=C1)N Z1255441375 [1,1,0,0,0,0|1,0,0]=3 412 B13R1.15 COC(=O)CNC1=CC(=CC=C1)F Z297575610 [1,1,0,0,0,0|2,0,0]=4 413 B13R1.15 COC(=O)COC1=CC(=CC=C1)Br Z18308995 [1,1,0,0,0,0|2,0,0]=4 414 B13R1.15 COC(=O)COC1=CC(=CC=C1)N Z367678732 [1,1,0,0,0,0|2,0,0]=4 415 B13R1.15 COC(=O)NCC1=CC(=CC=C1)O Z728883650 [1,1,0,0,0,0|1,0,0]=3 416 B13R1.147 CC(CC(=O)O)C1=CC(=CC=C1)F Z352781822 [1,1,0,0,0,0|1,0,0]=3 417 B13R1.147 CC1=CC(=CC=C1)C(N)CC(=O)O Z317027260 [1,1,0,0,0,0|1,0,0]=3 418 B13R1.147 NC(=O)C[C@@H](N)C1=CC(=CC=C1)Cl Z1346385500 [1,1,0,0,0,0|2,0,0]=4 419 B13R1.147 NC(=O)C[C@H](N)C1=CC(=CC=C1)Cl Z756926892 [1,1,0,0,0,0|2,0,0]=4 420 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)Br Z56899123 [1,1,0,0,0,0|1,0,0]=3 421 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)Cl Z317027314 [1,1,0,0,0,0|1,0,0]=3 422 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)O Z352252742 [1,1,0,0,0,0|0,0,0]=2 423 B13R1.147 NC1=CC=CC(=C1)C(N)CC(=O)O Z1198161215 [1,1,0,0,0,0|1,0,0]=3 424 B13R1.147 O=C(O)CC(O)C1=CC(=CC=C1)F Z982132016 [1,1,0,0,0,0|1,0,0]=3 425 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)O)C Z56911972 [1,1,0,0,0,0|2,0,0]=4 426 B13R1.150 CC1=C(C=CC=C1Br)CCC(=O)O Z1269241873 [1,1,0,0,0,0|1,0,0]=3 427 B13R1.150 CC1=C(C=CC=C1Cl)OCC(=O)O Z1209414269 [1,1,0,0,0,0|2,0,0]=4 428 B13R1.150 O=C(O)/C=C/C1=C(C(=CC=C1)O)O Z1198161241 [1,1,0,0,0,0|0,0,2]=4 429 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Br)Cl Z1269176762 [1,1,0,0,0,0|1,0,0]=3 430 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Br)F Z1269150982 [1,1,0,0,0,0|1,0,0]=3 431 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Cl)Br Z1269140493 [1,1,0,0,0,0|1,0,0]=3 432 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Cl)Cl Z317038008 [1,1,0,0,0,0|1,0,0]=3 433 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)F)Br Z1269177313 [1,1,0,0,0,0|1,0,0]=3 434 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)F)F Z445167886 [1,1,0,0,0,0|1,0,0]=3 435 B13R1.150 O=C(O)COC1=C(C(=CC=C1)Br)Cl Z3464018015 [1,1,0,0,0,0|2,0,0]=4 436 B13R1.150 O=C(O)COC1=C(C(=CC=C1)Cl)Cl Z65586632 [1,1,0,0,0,0|2,0,0]=4 437 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)Cl)Cl Z406376846 [1,1,0,0,0,0|2,0,0]=4 438 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)F)F Z1021461268 [1,1,0,0,0,0|2,0,0]=4 439 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)O)F Z1083021660 [1,1,0,0,0,0|2,0,0]=4 440 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C Z445853388 [1,1,0,0,0,0|1,0,0]=3 441 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Cl Z185153284 [1,1,0,0,0,0|1,0,0]=3 442 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)O)C Z56820874 [1,1,0,0,0,0|2,0,0]=4 443 B13R1.511 CC1=C(C=C(C=C1)SCC(=O)O)C Z55903758 [1,1,0,0,0,0|2,0,0]=4 444 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)N)Br Z1359984894 [1,1,0,0,0,0|2,0,0]=4 445 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)O)Br Z1269176292 [1,1,0,0,0,0|1,0,0]=3 446 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Br Z57204188 [1,1,0,0,0,0|2,0,0]=4 447 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Cl Z56823032 [1,1,0,0,0,0|2,0,0]=4 448 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)F Z1262524725 [1,1,0,0,0,0|2,0,0]=4 449 B13R1.511 NC(=O)CCC1=CC(=C(C=C1)F)F Z365255896 [1,1,0,0,0,0|2,0,0]=4 450 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)O)O Z240113804 [1,1,0,0,0,0|0,0,2]=4 451 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Br)Cl Z57039611 [1,1,0,0,0,0|1,0,0]=3 452 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)Cl Z237515176 [1,1,0,0,0,0|1,0,0]=3 453 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)F Z838969840 [1,1,0,0,0,0|1,0,0]=3 454 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)Cl Z839165388 [1,1,0,0,0,0|1,0,0]=3 455 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)Cl Z65558737 [1,1,0,0,0,0|2,0,0]=4 456 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)F Z1486018170 [1,1,0,0,0,0|2,0,0]=4 457 B13R1.511 O=C(O)COC1=CC(=C(C=C1)F)Cl Z65577990 [1,1,0,0,0,0|2,0,0]=4 458 B13R1.511 O=C(O)COC1=CC(=C(C=C1)F)F Z228583518 [1,1,0,0,0,0|2,0,0]=4 459 B13R1.511 O=C(O)CSC1=CC(=C(C=C1)F)F Z92655191 [1,1,0,0,0,0|2,0,0]=4 460 B13R1.643 CCC1=CC(=CC=C1)OCC(=O)O Z56910356 [1,1,0,0,0,0|2,0,0]=4 461 B13R1.643 CNC1=CC(=CC=C1)CCC(=O)O Z1623872023 [1,1,0,0,0,0|1,0,0]=3 462 B13R1.643 COC1=CC(=CC=C1)/C=C/C(=O)O Z104494816 [1,1,0,0,0,0|0,0,2]=4 463 B13R1.643 COC1=CC(=CC=C1)CCC(=O)O Z169916350 [1,1,0,0,0,0|0,0,0]=2 464 B13R1.643 COC1=CC(=CC=C1)CNC(=O)N Z198194944 [1,1,0,0,0,0|2,0,0]=4 465 B13R1.643 COC1=CC(=CC=C1)NCC(=O)N Z104592028 [1,1,0,0,0,0|2,0,0]=4 466 B13R1.643 COC1=CC(=CC=C1)NCC(=O)O Z274534684 [1,1,0,0,0,0|1,0,0]=3 467 B13R1.643 COC1=CC(=CC=C1)OCC(=O)O Z56782975 [1,1,0,0,0,0|1,0,0]=3 468 B13R1.643 COC1=CC(=CC=C1)SCC(=O)N Z290601360 [1,1,0,0,0,0|2,0,0]=4 469 B13R1.643 COC1=CC(=CC=C1)SCC(=O)O Z239812082 [1,1,0,0,0,0|1,0,0]=3 470 B13R1.643 COC1=CC(=CN=C1)CCC(=O)O Z1255460812 [1,1,0,0,0,0|1,0,0]=3 471 B13R1.643 COC1=NC(=CC=C1)CCC(=O)O Z3379430802 [1,1,0,0,0,0|1,0,0]=3 472 B13R1.643 N#CC1=CC=CC(=C1)NCC(=O)O Z359506264 [1,1,0,0,0,0|2,0,0]=4 473 B13R1.643 N#CC1=CC=CC(=C1)OCC(=O)O Z149252494 [1,1,0,0,0,0|2,0,0]=4 474 B13R1.643 NC(=O)COC1=CC(=CC=C1)CO Z57462495 [1,1,0,0,0,0|2,0,0]=4 475 B13R1.643 NCC1=CC(=CC=C1)OCC(=O)O Z1820007596 [1,1,0,0,0,0|2,0,0]=4 476 B13R1.643 O=C(O)/C=C/C1=CC=CC(=C1)CO Z2942853466 [1,1,0,0,0,0|0,0,2]=4 477 B13R1.643 O=CC1=CC=CC(=C1)CCC(=O)O Z1198176540 [1,1,0,0,0,0|0,0,1]=3 478 B13R1.643 O=CC1=CC=CC(=C1)OCC(=O)O Z336079446 [1,1,0,0,0,0|1,0,1]=4 479 B13R1.893 CC1=C(C=C(C=C1)Cl)OCC(=O)O Z274764854 [1,1,0,0,0,0|2,0,0]=4 480 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O Z56820968 [1,1,0,0,0,0|2,0,0]=4 481 B13R1.893 CC1=CC(=C(C=C1)C)SCC(=O)O Z55903768 [1,1,0,0,0,0|2,0,0]=4 482 B13R1.893 CC1=CC(=C(C=C1)Cl)OCC(=O)O Z56899213 [1,1,0,0,0,0|2,0,0]=4 483 B13R1.893 CC1=CC(=C(C=C1)F)OCC(=O)O Z1250417296 [1,1,0,0,0,0|2,0,0]=4 484 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)Br)F Z426022294 [1,1,0,0,0,0|1,0,0]=3 485 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)Cl)Br Z1269137463 [1,1,0,0,0,0|1,0,0]=3 486 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)F)Br Z426022162 [1,1,0,0,0,0|1,0,0]=3 487 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)F)F Z415635744 [1,1,0,0,0,0|1,0,0]=3 488 B13R1.893 O=C(O)CCN1C=C(C=CC1=O)Br Z285172050 [1,1,0,0,0,0|2,0,0]=4 489 B13R1.893 O=C(O)COC1=C(C=CC(=C1)Cl)Cl Z57455032 [1,1,0,0,0,0|2,0,0]=4 490 B13R1.893 O=C(O)COC1=C(C=CC(=C1)Cl)O Z56788158 [1,1,0,0,0,0|2,0,0]=4 491 B13R1.893 O=C(O)COC1=C(C=CC(=C1)F)F Z1117890486 [1,1,0,0,0,0|2,0,0]=4 492 B13R1.893 O=C(O)CSC1=C(C=CC(=C1)Cl)Cl Z55903787 [1,1,0,0,0,0|2,0,0]=4 493 B13R1.893 O=C(O)CSC1=C(C=CC(=C1)F)F Z92608891 [1,1,0,0,0,0|2,0,0]=4 494 B13R1.3420 CC1=CC(=CC(=C1)CCC(=O)O)C Z733374122 [1,1,0,0,0,0|1,0,0]=3 495 B13R1.3420 CC1=CC(=CC(=C1)OCC(=O)O)C Z56869402 [1,1,0,0,0,0|2,0,0]=4 496 B13R1.3420 CC1=CC(=CC(=N1)C)CCC(=O)O Z3325619569 [1,1,0,0,0,0|2,0,0]=4 497 B13R1.3420 O=C(O)CCC1=CC(=CC(=C1)Cl)Cl Z452430960 [1,1,0,0,0,0|1,0,0]=3 498 B13R1.3420 O=C(O)CCC1=CC(=CC(=C1)F)Br Z1269243583 [1,1,0,0,0,0|1,0,0]=3 499 B13R1.3420 O=C(O)COC1=CC(=CC(=C1)Cl)Cl Z441805200 [1,1,0,0,0,0|2,0,0]=4 500 B13R1.3420 O=C(O)COC1=CC(=CC(=C1)F)F Z1013753102 [1,1,0,0,0,0|2,0,0]=4 501 B13R1.510 CC(C(=O)O)C1=CC(=C(C=C1)Cl)Cl Z992423142 [0,1,0,0,1,0|1,0,0]=3 502 B13R1.510 CC(C(=O)O)C1=CC(=C(C=C1)F)F Z792377186 [0,1,0,0,1,0|1,0,0]=3 503 B13R1.510 CC1=C(C=C(C=C1)C(C)C(=O)O)Br Z1813162631 [0,1,0,0,1,0|1,0,0]=3 504 B13R1.510 CC1=C(C=CC(=C1)C(C)C(=O)O)Br Z1813181647 [0,1,0,0,1,0|1,0,0]=3 505 B13R1.510 CC1=C(C=CC(=C1)C(N)C(=O)O)Cl Z1198640890 [0,1,0,0,1,0|2,0,0]=4 506 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)Cl)Cl Z317024644 [0,1,0,0,1,0|2,0,0]=4 507 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)Cl)F Z1696091766 [0,1,0,0,1,0|2,0,0]=4 508 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)F)Cl Z1269179754 [0,1,0,0,1,0|2,0,0]=4 509 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)Cl)Br Z1269204407 [0,1,0,0,1,0|2,0,0]=4 510 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)Cl)Cl Z788000702 [0,1,0,0,1,0|2,0,0]=4 511 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)Cl)F Z838972312 [0,1,0,0,1,0|2,0,0]=4 512 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)F)Cl Z1269153543 [0,1,0,0,1,0|2,0,0]=4 513 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)F)F Z788000624 [0,1,0,0,1,0|2,0,0]=4 514 B13R1.642 CC(C(=O)O)C1=CC(=CC=C1)C#N Z982130148 [0,1,0,0,1,0|1,0,0]=3 515 B13R1.642 COC1=CC(=CC=C1)C(C)C(=O)O Z784767752 [0,1,0,0,1,0|0,0,0]=2 516 B13R1.642 COC1=CC(=CC=C1)C(N)C(=O)O Z317024678 [0,1,0,0,1,0|1,0,0]=3 517 B13R1.716 CCC(C(=O)O)C1=CC(=CC=C1)Cl Z982130900 [0,1,0,0,1,0|1,0,0]=3 518 B13R1.716 CNC(C(=O)N)C1=CC(=CC=C1)F Z477328312 [0,1,0,0,1,0|2,0,0]=4 519 B13R1.716 CNC(C(=O)O)C1=CC(=CC=C1)Br Z1552027510 [0,1,0,0,1,0|1,0,0]=3 520 B13R1.716 CNC(C(=O)O)C1=CC(=CC=C1)F Z5105547779 [0,1,0,0,1,0|1,0,0]=3 521 B13R1.897 NC(C(=O)O)C1=C(C=CC(=C1)F)F Z415636520 [0,1,0,0,1,0|2,0,0]=4 522 B13R1.3423 CC(C(=O)O)C1=CC(=CC(=C1)F)F Z982129998 [0,1,0,0,1,0|1,0,0]=3 523 B13R1.3423 CC1=CC(=CC(=C1)C(N)C(=O)O)C Z838975722 [0,1,0,0,1,0|2,0,0]=4 524 B13R1.3423 NC(C(=O)O)C1=CC(=CC(=C1)O)O Z3014398879 [0,1,0,0,1,0|1,0,0]=3 525 B13R1.3423 O=C(O)C(O)C1=CC(=CC(=C1)Cl)Cl Z788000918 [0,1,0,0,1,0|2,0,0]=4 526 B13R1.3423 O=C(O)C(O)C1=CC(=CC(=C1)F)F Z1203161883 [0,1,0,0,1,0|2,0,0]=4 527 B13R1.3493 CC(C)(C(=O)N)C1=CC(=CC=C1)Br Z1022691264 [0,1,0,0,1,0|2,0,0]=4 528 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CC=C1)Br Z725146472 [0,1,0,0,1,0|1,0,0]=3 529 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CC=C1)Cl Z725146336 [0,1,0,0,1,0|1,0,0]=3 530 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CC=C1)F Z725146400 [0,1,0,0,1,0|1,0,0]=3 531 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CC=C1)O Z1258979084 [0,1,0,0,1,0|0,0,0]=2 532 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CN=C1)Br Z1269244390 [0,1,0,0,1,0|2,0,0]=4 533 B13R1.3493 CC(N)(C(=O)N)C1=CC(=CC=C1)Cl Z477337870 [0,1,0,0,1,0|2,0,0]=4 534 B13R1.3493 CC(N)(C(=O)O)C1=CC(=CC=C1)Br Z317024850 [0,1,0,0,1,0|1,0,0]=3 535 B13R1.3493 CC(N)(C(=O)O)C1=CC(=CC=C1)F Z317024954 [0,1,0,0,1,0|1,0,0]=3 536 B13R1.3493 CC(O)(C(=O)O)C1=CC(=CC=C1)F Z788000530 [0,1,0,0,1,0|1,0,0]=3 537 B13R1.3493 CC1=CC(=CC=C1)C(F)(F)C(=O)O Z335859730 [0,1,0,0,1,0|2,0,0]=4 538 B13R1.3493 O=C(O)C(F)(F)C1=CC(=CC=C1)Br Z335859736 [0,1,0,0,1,0|2,0,0]=4 539 B13R1.3493 O=C(O)C(F)(F)C1=CC(=CC=C1)Cl Z335859734 [0,1,0,0,1,0|2,0,0]=4 540 B13R1.3768 CC1=C(C(=CC=C1)C(N)C(=O)O)C Z1744691758 [0,1,0,0,1,0|2,0,0]=4 541 B13R1.3768 NC(C(=O)O)C1=C(C(=CC=C1)Cl)Cl Z317024582 [0,1,0,0,1,0|2,0,0]=4 542 B13R1.3768 NC(C(=O)O)C1=C(C(=CC=C1)F)F Z1147192955 [0,1,0,0,1,0|2,0,0]=4 543 B15R1.884 CC(SCC1=CC(=C(C=C1)Br)F)C(=O)N Z1337437246 [0,1,0,0,0,1|2,0,0]=4 544 B15R1.1002 CNC(=O)C(C)SCC1=CC(=CC=C1)Cl Z742590118 [0,1,0,0,0,1|2,0,0]=4 545 B15R1.1002 COC(=O)[C@@H](C)NCC1=CC(=CC=C1)O Z1813156411 [0,1,0,0,0,1|0,0,0]=2 546 B15R1.1002 COC(=O)[C@@H](C)NCC1=CC(=CN=C1)Br Z1951628516 [0,1,0,0,0,1|2,0,0]=4 547 B15R1.1570 C=C(COC1=CC=CC(=C1)OC)C(=O)O Z1197868012 [0,1,0,0,0,1|0,0,2]=4 548 B15R1.1570 COC1=CC(=CC=C1)COC(C)C(=O)O Z317026576 [0,1,0,0,0,1|0,0,0]=2 549 B15R1.1570 COC1=CC(=CC=C1)CSC(C)C(=O)N Z955207540 [0,1,0,0,0,1|1,0,0]=3 550 B15R1.1570 COC1=CC(=CC=C1)CSC(C)C(C)O Z1273037537 [0,1,0,0,0,1|1,0,1]=4 551 B15R1.5455 CC(SCC1=CC(=CC(=C1)F)Br)C(=O)N Z1337436581 [0,1,0,0,0,1|2,0,0]=4 552 B15R1.8272 CC(CC(=O)C1=CC(=CC=C1)Br)C(=O)O Z838957320 [0,1,0,0,0,1|1,0,0]=3 553 B15R1.8272 CC(CC(=O)C1=CC(=CC=C1)F)C(=O)O Z838957304 [0,1,0,0,0,1|1,0,0]=3 554 B15R1.8272 CC(NC(C)C1=CC(=CC=C1)F)C(=O)N Z106129616 [0,1,0,0,0,1|2,0,0]=4 555 B15R1.8272 CC1=CC=CC(=C1)C(=O)NC(C)C(=O)O Z56346865 [0,1,0,0,0,1|1,0,1]=4 556 B15R1.8272 CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)O Z57029692 [0,1,0,0,0,1|1,0,1]=4 557 B15R1.8272 C[C@@H](NC(=O)C1=CC(=CC=C1)I)C(=O)O Z829931072 [0,1,0,0,0,1|1,0,1]=4 558 B15R1.8272 NC(CC(O)C1=CC(=CC=C1)O)C(=O)O Z1510039445 [0,1,0,0,0,1|1,0,0]=3 559 B15R1.8301 CC(C(=O)N)N(C)CC1=CC(=CC=C1)Cl Z54964220 [0,1,0,0,0,1|2,0,0]=4 560 B15R1.29570 CC(O)(CNC1=NC=CC(=C1)Br)C(=O)O Z2358754333 [0,1,0,0,0,1|2,0,0]=4 561 B15R1.29570 CC(O)(CSC1=CC(=CC=C1)F)C(=O)O Z1373652357 [0,1,0,0,0,1|1,0,0]=3 562 B15R1.1624 CN(CC(=O)O)CC1=CC(=CC=C1)C#N Z424763320 [0,1,0,0,0,1|2,0,0]=4 563 B15R1.5446 CC1=CC(=CC(=C1)Cl)CN(C)CC(=O)O Z2238803146 [0,1,0,0,0,1|2,0,0]=4 564 B15R1.5730 CC(=O)NC(C)(C)CC1=CC(=CC=C1)Br Z1260452382 [0,1,0,0,0,1|2,0,0]=4 565 B15R1.8271 CC(C1=CC(=CC=C1)Cl)N(C)CC(=O)O Z1459968361 [0,1,0,0,0,1|2,0,0]=4 566 B15R1.8271 CC(CC(=O)O)C(=O)C1=CC(=CC=C1)F Z838957084 [0,1,0,0,0,1|1,0,1]=4 567 B15R1.8274 CC1=C(C=CC=C1Cl)CN(C)CC(=O)O Z2897170670 [0,1,0,0,0,1|2,0,0]=4 568 B15R1.63 COC1=CC(=CC=C1)CN(C)C(=O)CCl Z57057722 [0,2,0,0,0,0|2,0,0]=4 569 B15R1.69 COC1=C(C(=CC=C1)CC(N)C(=O)O)O Z1065645450 [0,2,0,0,0,0|1,0,0]=3 570 B15R1.421 COC1=CC(=CC(=C1)O)CC(N)C(=O)O Z234895213 [0,2,0,0,0,0|1,0,0]=3 571 B15R1.421 CSC1=CC(=CC(=C1)Cl)CC(N)C(=O)O Z3407165822 [0,2,0,0,0,0|1,1,0]=4 572 B15R1.501 CC(=O)C1=CC=CC(=C1)OC(C)C(=O)O Z228583470 [0,2,0,0,0,0|1,0,1]=4 573 B15R1.501 CC(C)C1=CC(=CC=C1)OC(C)C(=O)O Z228583544 [0,2,0,0,0,0|2,0,0]=4 574 B15R1.1626 COC1=CC(=CC=C1)CC(CN)C(=O)O Z2235330278 [0,2,0,0,0,0|0,0,0]=2 575 B15R1.4038 COC1=C(C=CC(=C1)CC(N)C(=O)O)O Z3212891663 [0,2,0,0,0,0|1,0,0]=3 576 B15R1.4415 CC(C)(OC1=CC(=CC=C1)C#N)C(=O)O Z803510290 [0,2,0,0,0,0|2,0,0]=4 577 B15R1.4602 CSC1=CC(=C(C=C1)Cl)CC(N)C(=O)O Z3386904280 [0,2,0,0,0,0|1,1,0]=4 578 B15R1.49 CCOC(=O)C(N)CC1=CC(=CC=C1)Cl Z1973465527 [0,2,0,0,0,0|2,0,0]=4 579 B15R1.49 CCOC(=O)C(N)CC1=CC(=CC=C1)F Z3093894229 [0,2,0,0,0,0|2,0,0]=4 580 B15R1.49 COCC(=O)N(C)CC1=CC(=CC=C1)Cl Z31958450 [0,2,0,0,0,0|2,0,0]=4 581 B15R1.76 COC(=O)C(C)C(=O)C1=CC(=CC=C1)Br Z839827546 [0,2,0,0,0,0|1,0,1]=4 582 B15R1.113 COC(=O)C(C)NC1=C(C(=CC=C1)C)C Z98617242 [0,2,0,0,0,0|2,0,0]=4 583 B15R1.1374 COC(=O)C(CN)CC1=CC(=CC=C1)C Z1263820350 [0,2,0,0,0,0|1,0,0]=3 584 B15R1.1374 COC(=O)C(CN)CC1=CC(=CC=C1)F Z1263820338 [0,2,0,0,0,0|1,0,0]=3 585 B15R1.5513 CN(CC1=C(C=CC(=C1)Br)Cl)C(=O)CO Z1862826540 [0,2,0,0,0,0|2,0,0]=4 586 B15R1.5513 COC(=O)C(C)NC1=C(C=CC(=C1)C)C Z98617158 [0,2,0,0,0,0|2,0,0]=4 587 B15R1.5513 COC(=O)C(C)OC1=C(C=CC(=C1)N)C Z1255523368 [0,2,0,0,0,0|2,0,0]=4 588 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)F)Cl Z5087129302 [0,2,0,0,0,0|2,0,0]=4 589 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)O)F Z3073888196 [0,2,0,0,0,0|2,0,0]=4 590 B15R1.11653 CNC(=O)C(C)(C)CC1=CC(=CC=C1)Cl Z1375807284 [0,2,0,0,0,0|2,0,0]=4 591 B15R1.890 CC(C(=O)O)S(=O)C1=CC(=C(C=C1)Cl)Cl Z1263695854 [0,2,0,0,0,0|2,0,0]=4 592 B15R1.29536 CC(C)(C(=O)O)C(O)C1=CC(=CC=C1)O Z982140486 [0,2,0,0,0,0|0,0,0]=2 593 B15R1.8408 CC1=C(C=CC(=C1O)O)CC(N)C(=O)O Z2327040070 [0,2,0,0,0,0|1,0,0]=3 594 B15R1.5732 CC(C)C(OC1=CC(=CC=C1)Cl)C(=O)O Z216549070 [0,2,0,0,0,0|2,0,0]=4 595 B15R1.3777 COC1=C(C=C(C=C1)CC(C)C(=O)O)F Z756390470 [0,2,0,0,0,0|1,0,0]=3 596 B15R1.11316 CC1=C(C=CC(=C1)CC(C)(C)C(=O)O)Br Z2165882431 [0,2,0,0,0,0|1,0,0]=3 597 B15R1.11316 C[C@@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O Z1508927176 [0,2,0,0,0,0|0,0,0]=2 598 B15R1.11316 C[C@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O Z1508915075 [0,2,0,0,0,0|0,0,0]=2 599 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O Z1509614134 [0,2,0,0,0,0|2,0,0]=4 600 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O Z1509519863 [0,2,0,0,0,0|2,0,0]=4 601 B15R1.5460 CC(C)(OC1=CC(=CC(=C1)F)F)C(=O)O Z1013756064 [0,2,0,0,0,0|2,0,0]=4 602 B15R1.3793 COC1=C(C=C(C=C1)Br)CC(N)C(=O)O Z1262237273 [0,2,0,0,0,0|2,0,0]=4 603 B13R1.339 CC(NC(=O)C1=CC=CO1)C(=O)O Z85890240 [0,0,1,1,0,0|2,0,0]=4 604 B13R2.369 CC1CC2=C(N=CC=C2)NC1=O Z1509214505 [1,0,0,1,0,0|2,0,0]=4 605 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O Z1201619874 [1,0,0,1,0,0|2,0,0]=4 606 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O Z164680268 [1,0,0,1,0,0|2,0,0]=4 607 B13R2.369 CC1SC2=C(C=CC=C2)NC1=O Z1198161114 [1,0,0,1,0,0|2,0,0]=4 608 B13R2.369 CN1CC2=C(C=CC=C2)NC1=O Z104476152 [1,0,0,1,0,0|2,0,0]=4 609 B13R2.369 CN1CC2=C(C=CC=C2)OC1=O Z1862014448 [1,0,0,1,0,0|1,0,0]=3 610 B13R2.369 NC1CC2=C(C=CC=C2)NC1=O Z2692093571 [1,0,0,1,0,0|2,0,0]=4 611 B13R2.373 CC1C(=O)CC1C2=CC=CC=C2 Z1436543792 [1,0,0,1,0,0|1,0,0]=3 612 B13R2.373 CC1C(=O)NC1C2=CC=CC=C2 Z1267861070 [1,0,0,1,0,0|1,0,0]=3 613 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 Z1198162290 [1,0,0,1,0,0|0,0,0]=2 614 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2235584851 [1,0,0,1,0,0|0,0,0]=2 615 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=NC=C2 Z2379204261 [1,0,0,1,0,0|1,0,0]=3 616 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CN=CC=C2 Z2242045438 [1,0,0,1,0,0|1,0,0]=3 617 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=NC=CC=C2 Z3070727223 [1,0,0,1,0,0|1,0,0]=3 618 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 Z1235967724 [1,0,0,1,0,0|0,0,0]=2 619 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 Z1262510970 [1,0,0,1,0,0|0,0,0]=2 620 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 Z57931417 [1,0,0,1,0,0|1,0,1]=4 621 B13R2.435 NC(=O)C1CC2=C(N1)C=CC=C2 Z1255399804 [1,0,0,1,0,0|2,0,0]=4 622 B13R2.435 NC(=O)C1CC2=C(O1)C=CC=C2 Z116821856 [1,0,0,1,0,0|2,0,0]=4 623 B13R2.435 NC(=O)N1CC2=C(C1)C=CC=C2 Z963453910 [1,0,0,1,0,0|2,0,0]=4 624 B13R2.435 NC(=O)[C@@H]1CC2=C(N1)C=CC=C2 Z760046840 [1,0,0,1,0,0|2,0,0]=4 625 B13R2.435 O=C(O)C1=CC2=C(C1)C=CC=C2 Z1255423596 [1,0,0,1,0,0|0,0,2]=4 626 B13R2.435 O=C(O)C1CC2=C(C1)C=CC=C2 Z607808530 [1,0,0,1,0,0|0,0,0]=2 627 B13R2.435 O=C(O)C1CC2=C(C1)C=NC=C2 Z2213893333 [1,0,0,1,0,0|1,0,0]=3 628 B13R2.435 O=C(O)C1CC2=C(C1)N=CC=C2 Z1262528380 [1,0,0,1,0,0|1,0,0]=3 629 B13R2.435 O=C(O)C1CC2=C(C1)N=CC=N2 Z1416181876 [1,0,0,1,0,0|2,0,0]=4 630 B13R2.435 O=C(O)C1CC2=C(N1)C=CC=C2 Z343211224 [1,0,0,1,0,0|1,0,0]=3 631 B13R2.435 O=C(O)C1CC2=C(O1)C=CC=C2 Z104377952 [1,0,0,1,0,0|1,0,0]=3 632 B13R2.435 O=C(O)C1CC2=C(S1)C=CC=C2 Z221583708 [1,0,0,1,0,0|1,0,0]=3 633 B13R2.435 O=C(O)[C@@H]1CC2=C(N1)C=CC=C2 Z335079490 [1,0,0,1,0,0|1,0,0]=3 634 B13R2.152 CC1(CO1)CC2=CC(=CC=C2)F Z1763013423 [1,0,0,1,0,0|1,0,1]=4 635 B13R2.4856 CN1CC2=C(C1=O)C(=CC=C2)N Z1255436221 [1,0,0,1,0,0|2,0,0]=4 636 B13R2.5190 CC1CC2=C(C1C)C=CC(=C2)O Z1513871470 [1,0,0,1,0,0|1,0,1]=4 637 B13R2.5190 CC1OC2=C(C1=O)C=CC(=C2)F Z1362956333 [1,0,0,1,0,0|2,0,0]=4 638 B13R2.5190 CN1CC2=C(C1=O)C=CC(=C2)Br Z1269113891 [1,0,0,1,0,0|2,0,0]=4 639 B13R2.5190 CN1CC2=C(C1=O)C=CC(=C2)O Z1255392092 [1,0,0,1,0,0|1,0,0]=3 640 B13R2.151 CC1=CC(=CC=C1)C2CC(=O)C2 Z444344078 [1,0,0,1,0,0|2,0,0]=4 641 B13R2.151 O=C1CC(N1)C2=CC=CC(=C2)Br Z1238837585 [1,0,0,1,0,0|2,0,0]=4 642 B13R2.151 O=C1CC(N1)C2=CC=CC(=C2)O Z3227055565 [1,0,0,1,0,0|1,0,0]=3 643 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Br Z1269110065 [1,0,0,1,0,0|2,0,0]=4 644 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Cl Z1198163928 [1,0,0,1,0,0|2,0,0]=4 645 B13R2.162 O=C1CCC2=CC=CC(=C2N1)F Z1198183608 [1,0,0,1,0,0|2,0,0]=4 646 B13R2.162 O=C1CCC2=CC=CC(=C2N1)O Z1198166008 [1,0,0,1,0,0|1,0,0]=3 647 B13R2.162 O=C1COC2=CC=CC(=C2N1)O Z1198269939 [1,0,0,1,0,0|2,0,0]=4 648 B13R2.162 O=C1NCC2=CC=CC(=C2O1)Br Z2751295692 [1,0,0,1,0,0|2,0,0]=4 649 B13R2.162 O=C1NCC2=CC=CC(=C2O1)O Z2894089869 [1,0,0,1,0,0|1,0,0]=3 650 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CC2 Z285150736 [1,0,0,1,0,0|2,0,0]=4 651 B13R2.3683 O=C1CCC2=C(N1)C=CC(=C2)Br Z299596072 [1,0,0,1,0,0|2,0,0]=4 652 B13R2.3683 O=C1CCC2=C(N1)C=CC(=C2)Cl Z586255942 [1,0,0,1,0,0|2,0,0]=4 653 B13R2.3683 O=C1CCC2=C(N1)C=CC(=C2)F Z330795836 [1,0,0,1,0,0|2,0,0]=4 654 B13R2.3683 O=C1CCC2=C(N1)C=CC(=C2)I Z1269172761 [1,0,0,1,0,0|2,0,0]=4 655 B13R2.3683 O=C1CCC2=C(N1)C=CC(=C2)O Z234893935 [1,0,0,1,0,0|1,0,0]=3 656 B13R2.3683 O=C1CCC2=C(O1)C=CC(=C2)Br Z1269147954 [1,0,0,1,0,0|1,0,0]=3 657 B13R2.3683 O=C1CCC2=C(O1)C=CC(=C2)O Z1513805017 [1,0,0,1,0,0|0,0,0]=2 658 B13R2.3683 O=C1CNC2=C(N1)C=CC(=C2)O Z1255398014 [1,0,0,1,0,0|2,0,0]=4 659 B13R2.3683 O=C1NCC2=C(O1)C=CC(=C2)Br Z1269142316 [1,0,0,1,0,0|2,0,0]=4 660 B13R2.2978 CC1=CC=C(S1)[C@@H]2C[C@H]2C(=O)O Z2242045784 [0,0,0,1,1,0|2,0,0]=4 661 B13R2.2978 CN1C=CC(=C1)[C@@H]2C[C@H]2C(=O)O Z2242032526 [0,0,0,1,1,0|2,0,0]=4 662 B13R2.2978 O=C(O)[C@@H]1C[C@H]1C2=CC=C(S2)Cl Z2309898851 [0,0,0,1,1,0|2,0,0]=4 663 B13R2.2978 O=C(O)[C@@H]1C[C@H]1C2=CSC(=C2)Br Z2652000059 [0,0,0,1,1,0|2,0,0]=4 664 B13R2.2978 O=C(O)[C@H]1C[C@@H]1C2=CSC(=C2)Br Z4485573429 [0,0,0,1,1,0|2,0,0]=4 665 B13R2.3437 CC1=C(SC=C1)[C@@H]2C[C@H]2C(=O)O Z2327124592 [0,0,0,1,1,0|2,0,0]=4 666 B13R2.3028 CC1C(=O)NC2=C1C=C(C=C2)N Z442035298 [0,0,0,1,1,0|2,0,0]=4 667 B13R2.3028 CC1C(=O)NC2=C1C=C(C=C2)O Z1198169095 [0,0,0,1,1,0|1,0,0]=3 668 B13R2.3028 CN1C(=O)OC2=C1C=C(C=C2)I Z1343941255 [0,0,0,1,1,0|2,0,0]=4 669 B13R2.3028 CN1C(=O)OC2=C1C=C(C=C2)N Z424795770 [0,0,0,1,1,0|2,0,0]=4 670 B13R2.4825 CN1C(=O)OC2=C1C=CC=C2N Z1507502330 [0,0,0,1,1,0|2,0,0]=4 671 B13R2.4852 O=C(O)C1CC2=C(C=CC=C12)Cl Z1262515365 [0,0,0,1,1,0|1,0,0]=3 672 B13R2.4930 CC1=CC2=C(C=C1)CC2C(=O)O Z2719072266 [0,0,0,1,1,0|1,0,0]=3 673 B13R2.4930 O=C(O)C1CC2=C1C=C(C=C2)Cl Z1262559583 [0,0,0,1,1,0|1,0,0]=3 674 B15R2.7128 O=C(O)C1CC(C1)C2=CC(=CC=C2)F Z979420104 [0,0,0,1,0,1|1,0,0]=3 675 B15R2.7151 O=C(O)C1CC1CC2=CC(=CC=C2)Br Z2733533556 [0,0,0,1,0,1|1,0,0]=3 676 B15R2.7180 CC1=CC2=C(C=C1)OC(CC2)C(=O)O Z1198276222 [0,0,0,1,0,1|2,0,0]=4 677 B15R2.7180 O=C(O)C1CCC2=C(N1)C=CC(=C2)Br Z4893285994 [0,0,0,1,0,1|2,0,0]=4 678 B15R2.7180 O=C(O)C1CCC2=C(O1)C=CC(=C2)Br Z1269218486 [0,0,0,1,0,1|2,0,0]=4 679 B15R2.7180 O=C(O)C1COC2=C(C1)C=CC(=C2)Cl Z1862025524 [0,0,0,1,0,1|1,0,0]=3 680 B15R2.7180 O=C(O)C1COC2=C(C1)C=CC(=C2)O Z235363157 [0,0,0,1,0,1|0,0,0]=2 681 B15R2.7180 O=C(O)C1COC2=C(O1)C=CC(=C2)Br Z1862025522 [0,0,0,1,0,1|2,0,0]=4 682 B15R2.7180 O=C(O)C1COC2=C(O1)C=CC(=C2)Cl Z1508950768 [0,0,0,1,0,1|2,0,0]=4 683 B15R2.7180 O=C(O)[C@H]1CC2=C(C=C(C=C2)O)CN1 Z1198151614 [0,0,0,1,0,1|0,0,0]=2 684 B15R2.7476 CC1(CCC2=C1C=CC(=C2)Br)C(=O)O Z1726022612 [0,0,0,1,0,1|1,0,0]=3 685 B15R2.41966 C[C@@]1(C[C@@H]1C2=CC(=CC=C2)Br)C(=O)O Z2896798730 [0,0,0,1,0,1|1,0,0]=3 686 B15R2.61353 O=C(O)C1CC2=C(C=CC=C2Br)CN1 Z2938294461 [0,0,0,1,0,1|1,0,0]=3 687 B15R2.61353 O=C(O)C1CNC2=C(O1)C(=CC=C2)Br Z5354531501 [0,0,0,1,0,1|2,0,0]=4 688 B15R2.62000 CC1CCC2=C(C=CC(=C2)Br)NC1=O Z5185665757 [0,0,0,1,0,1|2,0,0]=4 689 B15R2.1115 O=C1CCC(O1)CC2=CC=CC(=C2)O Z1342095237 [0,0,0,1,0,1|1,0,0]=3 690 B15R2.1115 O=C1NCC(O1)CC2=CC=CC(=C2)F Z1509163663 [0,0,0,1,0,1|2,0,0]=4 691 B15R2.7252 O=C(O)CC1CC2=C(C1)C=C(C=C2)Br Z1813175279 [0,0,0,1,0,1|1,0,0]=3 692 B15R2.4755 COC1=CC(=CC=C1)[C@@H]2C[C@H]2C(=O)O Z2242045603 [0,1,0,1,0,0|0,0,0]=2 693 B15R2.4755 N#CC1=CC=CC(=C1)[C@@H]2C[C@H]2C(=O)O Z2301401444 [0,1,0,1,0,0|1,0,0]=3 694 B15R2.4834 COC1=NC2=C(C=C1)CC(N2)C(=O)O Z3267908929 [0,1,0,1,0,0|2,0,0]=4 695 B15R2.20824 COC1=C2CC(NC2=CC=C1)C(=O)O Z2805881506 [0,1,0,1,0,0|1,0,0]=3 696 B15R2.21336 COC1=CC2=C(C=C1)NC(=O)C(N2)C Z1255426425 [0,1,0,1,0,0|2,0,0]=4 697 B15R2.335 NC1=CC(=CC=C1)CN2CCOC2=O Z323040266 [0,1,0,1,0,0|2,0,0]=4 698 B15R2.335 O=C1NCCC1CC2=CC=CC(=C2)Br Z1269149177 [0,1,0,1,0,0|2,0,0]=4 699 B15R2.1590 COC(=O)C1CC2=C(O1)C=C(C=C2)O Z1514016009 [0,1,0,1,0,0|1,0,0]=3 700 B15R2.1590 COC(=O)C1CC2=C(O1)C=CC(=C2)C Z2732678778 [0,1,0,1,0,0|2,0,0]=4 701 B15R2.1590 COC(=O)C1CC2=C(S1)C=C(C=C2)C Z293379218 [0,1,0,1,0,0|2,0,0]=4 702 B15R2.1598 COC(=O)C1CC2=C(C1)C(=CC=C2)N Z1198335040 [0,1,0,1,0,0|1,0,0]=3 703 B15R2.1598 COC(=O)C1CC2=C(C=CC=C2N1)C Z2695869274 [0,1,0,1,0,0|2,0,0]=4 704 B15R2.1598 COC(=O)C1CC2=C(C=CC=C2N1)O Z3070672160 [0,1,0,1,0,0|1,0,0]=3 705 B15R2.3809 CNC(=O)C1CC1C2=CC(=CC=C2)Br Z955526728 [0,1,0,1,0,0|2,0,0]=4 706 B15R2.3809 CNC(=O)C1CC1C2=CC(=CC=C2)Cl Z955526726 [0,1,0,1,0,0|2,0,0]=4 707 B15R2.7126 CC1(CC1C(=O)O)C2=CC(=CC=C2)Br Z979743292 [0,1,0,1,0,0|1,0,0]=3 708 B15R2.7203 CC1=CC2=C(C=C1)C[C@@H]([C@@H]2N)C(=O)O Z5396938389 [0,1,0,1,0,0|1,0,0]=3 709 B15R2.7203 C[C@H]1C2=C(C=CC(=C2)Br)O[C@H]1C(=O)O Z4519248389 [0,1,0,1,0,0|2,0,0]=4 710 B15R2.7161 O=C(O)[C@@H]1C[C@H]1C2=C(C(=CC=C2)Cl)Cl Z2678180815 [0,1,0,1,0,0|1,0,0]=3 711 B15R2.7161 O=C(O)[C@@H]1C[C@H]1C2=C(C(=CC=C2)F)F Z2327124586 [0,1,0,1,0,0|1,0,0]=3 712 B15R2.13598 NC1=C2OCC(CC2=CC=C1)C(=O)O Z2310723134 [0,1,0,1,0,0|1,0,0]=3 713 B15R2.13598 O=C(O)C1=CC2=C(OC1)C(=CC=C2)O Z228588778 [0,1,0,1,0,0|0,0,2]=4 714 B15R2.13598 O=C(O)C1COC2=C(C1)C=CC=C2O Z228588504 [0,1,0,1,0,0|0,0,0]=2 715 B15R2.7141 O=C(O)C1(CC1)CC2=CC(=CC=C2)Cl Z1269115105 [0,1,0,1,0,0|1,0,0]=3 716 B15R2.7174 NC(=O)C1COC2=C(C1)C=C(C=C2)Cl Z116821400 [0,1,0,1,0,0|2,0,0]=4 717 B15R2.7174 O=C(O)C1CCC2=C(O1)C=C(C=C2)Br Z1269203030 [0,1,0,1,0,0|2,0,0]=4 718 B15R2.7174 O=C(O)C1CCC2=C(O1)C=C(C=C2)F Z1198276223 [0,1,0,1,0,0|2,0,0]=4 719 B15R2.7174 O=C(O)C1COC2=C(C1)C=C(C=C2)Cl Z108565168 [0,1,0,1,0,0|1,0,0]=3 720 B15R2.7174 O=C(O)C1COC2=C(C1)C=C(C=C2)F Z1198276104 [0,1,0,1,0,0|1,0,0]=3 721 B15R2.7174 O=C(O)C1COC2=C(O1)C=C(C=C2)Br Z1862025525 [0,1,0,1,0,0|2,0,0]=4 722 B15R2.7174 O=C(O)C1COC2=C(O1)C=C(C=C2)Cl Z1508942364 [0,1,0,1,0,0|2,0,0]=4 723 B15R2.7174 O=C(O)C1COC2=C(O1)C=C(C=C2)O Z1262515346 [0,1,0,1,0,0|1,0,0]=3 724 B15R2.13629 CN1C(=CC2=C1C(=CC=C2)O)C(=O)O Z1416171492 [0,1,0,1,0,0|0,0,2]=4 725 B15R2.1102 CC1=C(C=C2OC(CC2=C1)C(=O)O)C Z1262250016 [0,1,0,1,0,0|2,0,0]=4 726 B15R2.18974 CC1=C(C=C(C=C1)[C@@H]2C[C@H]2C(=O)O)Br Z3271457256 [0,1,0,1,0,0|1,0,0]=3 727 B15R2.18974 CC1=C(C=C(C=C1)[C@@H]2C[C@H]2C(=O)O)C Z2242045493 [0,1,0,1,0,0|1,0,0]=3 728 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)Br)Br Z3410034983 [0,1,0,1,0,0|1,0,0]=3 729 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)Br Z3019995727 [0,1,0,1,0,0|1,0,0]=3 730 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)Cl Z2242045590 [0,1,0,1,0,0|1,0,0]=3 731 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)F)F Z2307311644 [0,1,0,1,0,0|1,0,0]=3 732 B15R2.6871 CC1=CC(=CC(=C1)Br)[C@@H]2C[C@H]2C(=O)O Z3271454354 [0,1,0,1,0,0|1,0,0]=3 733 B15R2.6871 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC(=C2)Br)Br Z3410034986 [0,1,0,1,0,0|1,0,0]=3 734 B15R2.6871 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC(=C2)Cl)Br Z3271453671 [0,1,0,1,0,0|1,0,0]=3 735 B15R2.6871 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC(=C2)Cl)Cl Z2327124585 [0,1,0,1,0,0|1,0,0]=3 736 B15R2.42559 NC1(CC2=C(C1)C=C(C=C2)Br)C(=O)O Z2651685348 [0,1,0,1,0,0|1,0,0]=3 737 B15R2.42559 NC1(CC2=C(C1)C=C(C=C2)Cl)C(=O)O Z1446142472 [0,1,0,1,0,0|1,0,0]=3 738 B15R2.7551 NC(=O)C1CC1C2=C(C=CC(=C2)F)F Z1260636558 [0,1,0,1,0,0|2,0,0]=4 739 B15R2.7551 O=C(O)C1CC1C2=C(C=CC(=C2)F)F Z450468496 [0,1,0,1,0,0|1,0,0]=3 740 B15R2.7551 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC(=C2)Br)Cl Z3019995711 [0,1,0,1,0,0|1,0,0]=3 741 B15R2.7551 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC(=C2)F)F Z3019995689 [0,1,0,1,0,0|1,0,0]=3 742 B11R1.35 CC(CC1=CC=CS1)C(=O)O Z756390536 [1,0,0,0,1,0|1,0,0]=3 743 B11R1.35 CC(CN1C=CC=N1)C(=O)O Z421787104 [1,0,0,0,1,0|2,0,0]=4 744 B11R1.35 CC(CN1C=CN=C1)C(=O)O Z1431781034 [1,0,0,0,1,0|2,0,0]=4 745 B11R1.35 NC(CC1=CC=CN1)C(=O)O Z1065645554 [1,0,0,0,1,0|2,0,0]=4 746 B11R1.35 NC(CC1=CC=CO1)C(=O)O Z317025794 [1,0,0,0,1,0|2,0,0]=4 747 B11R1.35 NC(CC1=COC=C1)C(=O)O Z3839442137 [1,0,0,0,1,0|2,0,0]=4 748 B11R1.35 NC(CC1=CSC=C1)C(=O)O Z3251695259 [1,0,0,0,1,0|2,0,0]=4 749 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 Z1201618094 [1,0,0,0,1,0|0,0,2]=4 750 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 Z1255383314 [1,0,0,0,1,0|1,0,0]=3 751 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Z3234810419 [1,0,0,0,1,0|2,0,0]=4 752 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 Z31506242 [1,0,0,0,1,0|2,0,0]=4 753 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 Z1255506457 [1,0,0,0,1,0|1,0,0]=3 754 B11R1.36 CC(C(=O)O)C1=CN=CC=C1 Z792377268 [1,0,0,0,1,0|1,0,0]=3 755 B11R1.36 CC(C(=O)O)C1=CN=CN=C1 Z1860991554 [1,0,0,0,1,0|2,0,0]=4 756 B11R1.36 CC(C(=O)[O-])C1=CC=NC=C1 Z2408359395 [1,0,0,0,1,0|1,0,1]=4 757 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 Z5462337230 [1,0,0,0,1,0|1,0,0]=3 758 B11R1.36 C[C@H](C(=O)O)C1=CN=CC=C1 Z5462556304 [1,0,0,0,1,0|1,0,0]=3 759 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 Z57069256 [1,0,0,0,1,0|2,0,0]=4 760 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 Z57204607 [1,0,0,0,1,0|2,0,0]=4 761 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 Z147647142 [1,0,0,0,1,0|1,0,0]=3 762 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 Z815264186 [1,0,0,0,1,0|2,0,0]=4 763 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 Z278101784 [1,0,0,0,1,0|1,0,0]=3 764 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 Z957336528 [1,0,0,0,1,0|1,0,0]=3 765 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 Z381360894 [1,0,0,0,1,0|1,0,1]=4 766 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 Z104495824 [1,0,0,0,1,0|1,0,0]=3 767 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 Z1203161992 [1,0,0,0,1,0|1,0,0]=3 768 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 Z104473974 [1,0,0,0,1,0|1,0,0]=3 769 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 Z808230894 [1,0,0,0,1,0|1,0,0]=3 770 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 Z1201618616 [1,0,0,0,1,0|1,0,0]=3 771 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 Z1255390767 [1,0,0,0,1,0|1,0,0]=3 772 B11R1.23 CC(C=O)C1=CC(=CC=C1)Br Z1269224544 [1,0,0,0,1,0|1,0,0]=3 773 B11R1.23 CC(C=O)C1=CC(=CC=C1)Cl Z1222424632 [1,0,0,0,1,0|1,0,0]=3 774 B11R1.23 CC(C=O)C1=CC(=CC=C1)F Z1222424642 [1,0,0,0,1,0|1,0,0]=3 775 B11R1.23 CC(CO)C1=CC(=CC=C1)Br Z1269177166 [1,0,0,0,1,0|1,0,1]=4 776 B11R1.23 CC(CO)C1=CC(=CC=C1)Cl Z1222424631 [1,0,0,0,1,0|1,0,1]=4 777 B11R1.23 CC1=CC=CC(=C1)C(C)C=O Z1222424653 [1,0,0,0,1,0|1,0,0]=3 778 B11R1.23 CNC(C)C1=CC(=CC=C1)O Z1266854844 [1,0,0,0,1,0|2,0,0]=4 779 B11R1.23 NC(CO)C1=CC(=CC=C1)O Z3247611804 [1,0,0,0,1,0|1,0,1]=4 780 B11R1.23 O=CC(=O)C1=CC=CC(=C1)O Z1255357387 [1,0,0,0,1,0|1,0,1]=4 781 B11R1.75 CC1=CC=C(O1)CCC(=O)O Z57248456 [1,0,0,0,1,0|2,0,0]=4 782 B11R1.75 CC1=CC=C(S1)CCC(=O)O Z381359992 [1,0,0,0,1,0|2,0,0]=4 783 B11R1.75 CN1C=CC(=C1)CCC(=O)O Z1262521199 [1,0,0,0,1,0|2,0,0]=4 784 B11R1.75 O=C(O)CCC1=CC(=CS1)Br Z381359988 [1,0,0,0,1,0|2,0,0]=4 785 B11R1.75 O=C(O)CCC1=CC(=CS1)Cl Z234898661 [1,0,0,0,1,0|2,0,0]=4 786 B11R1.75 O=C(O)CCC1=CC=C(S1)Cl Z381359990 [1,0,0,0,1,0|2,0,0]=4 787 B11R1.90 CN1C=CC=C1CCC(=O)O Z362827938 [1,0,0,0,1,0|2,0,0]=4 788 B11R1.90 O=C(O)CCC1=C(C=CS1)Br Z854069976 [1,0,0,0,1,0|2,0,0]=4 789 B11R1.90 O=C(O)CCC1=C(SC=C1)Br Z2236423623 [1,0,0,0,1,0|2,0,0]=4 790 B11R1.90 O=C(O)CCC1=C(SC=C1)Cl Z2261978289 [1,0,0,0,1,0|2,0,0]=4 791 B11R1.314 CC(C(=O)O)C1=CC=C(S1)Br Z803101402 [0,0,0,0,2,0|2,0,0]=4 792 B11R1.314 CC(C(=O)O)C1=CC=C(S1)Cl Z803101404 [0,0,0,0,2,0|2,0,0]=4 793 B11R1.314 CC1=CC=C(O1)C(C)C(=O)O Z792377304 [0,0,0,0,2,0|2,0,0]=4 794 B11R1.314 CC1=CC=C(S1)C(C)C(=O)O Z803101406 [0,0,0,0,2,0|2,0,0]=4 795 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 Z1259040954 [1,0,0,0,0,1|1,0,0]=3 796 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [1,0,0,0,0,1|1,0,0]=3 797 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [1,0,0,0,0,1|1,0,0]=3 798 B13R1.351 C=C(COC1=CC=CC=C1)C(=O)O Z1197868054 [1,0,0,0,0,1|0,0,2]=4 799 B13R1.351 CC(/C=C/C1=CC=CC=C1)C(=O)O Z3241898772 [1,0,0,0,0,1|0,0,1]=3 800 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 Z906195336 [1,0,0,0,0,1|1,0,0]=3 801 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O Z425469932 [1,0,0,0,0,1|0,0,0]=2 802 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O Z431541708 [1,0,0,0,0,1|0,0,0]=2 803 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O Z426041612 [1,0,0,0,0,1|0,0,0]=2 804 B13R1.351 CC(NCC1=CN=CC=C1)C(=O)O Z440613690 [1,0,0,0,0,1|1,0,0]=3 805 B13R1.351 CC(NCC1=NC=CC=C1)C(=O)O Z1270255478 [1,0,0,0,0,1|1,0,0]=3 806 B13R1.351 CC(O)C(C)OCC1=CC=CC=C1 Z854223056 [1,0,0,0,0,1|1,0,1]=4 807 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)N Z394696218 [1,0,0,0,0,1|1,0,0]=3 808 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O Z316258798 [1,0,0,0,0,1|0,0,0]=2 809 B13R1.351 CC(OCC1=CC=NC=C1)C(=O)O Z2235681270 [1,0,0,0,0,1|1,0,0]=3 810 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Z18753939 [1,0,0,0,0,1|0,0,0]=2 811 B13R1.351 C[C@H](NCC1=NC=CC=C1)C(=O)O Z5717815294 [1,0,0,0,0,1|1,0,0]=3 812 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O Z1255498772 [1,0,0,0,0,1|0,0,0]=2 813 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O Z317025074 [1,0,0,0,0,1|1,0,0]=3 814 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O Z3004510439 [1,0,0,0,0,1|2,0,0]=4 815 B13R1.351 NC(CCC1=NC=CC=C1)C(=O)O Z2310672466 [1,0,0,0,0,1|2,0,0]=4 816 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O Z1255434715 [1,0,0,0,0,1|1,0,0]=3 817 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O Z1255399095 [1,0,0,0,0,1|1,0,0]=3 818 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 Z1201620725 [1,0,0,0,0,1|1,0,1]=4 819 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 Z1259340035 [1,0,0,0,0,1|1,0,0]=3 820 B13R1.149 C=C(C)CNCC1=CC(=CC=C1)O Z1741933704 [1,0,0,0,0,1|2,0,0]=4 821 B13R1.149 CC(=O)NCCC1=CC(=CC=C1)Br Z2286728666 [1,0,0,0,0,1|2,0,0]=4 822 B13R1.149 CC(=O)NCCC1=CC(=CC=C1)Cl Z52318908 [1,0,0,0,0,1|2,0,0]=4 823 B13R1.149 CC(=O)OCCC1=CC(=CC=C1)N Z1262633949 [1,0,0,0,0,1|2,0,0]=4 824 B13R1.149 CC1=CC(=CC=C1)CNCC(=O)O Z1270446344 [1,0,0,0,0,1|1,0,0]=3 825 B13R1.149 CC1=CC(=CC=C1)COCC(=O)O Z1251362362 [1,0,0,0,0,1|1,0,0]=3 826 B13R1.149 CC1=CC(=CC=C1)CSCC(=O)O Z19692175 [1,0,0,0,0,1|1,0,0]=3 827 B13R1.149 CC1=CC(=CC=C1)NCCC(=O)N Z382711330 [1,0,0,0,0,1|2,0,0]=4 828 B13R1.149 CC1=CC(=CC=C1)OCCC(=O)N Z33545285 [1,0,0,0,0,1|2,0,0]=4 829 B13R1.149 CC1=CC(=CC=C1)OCCC(=O)O Z56805757 [1,0,0,0,0,1|1,0,0]=3 830 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)Br Z33547023 [1,0,0,0,0,1|2,0,0]=4 831 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)F Z291821318 [1,0,0,0,0,1|2,0,0]=4 832 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)N Z382711144 [1,0,0,0,0,1|2,0,0]=4 833 B13R1.149 NC(=O)CCSC1=CC(=CC=C1)Cl Z994468306 [1,0,0,0,0,1|2,0,0]=4 834 B13R1.149 NC(=O)CSCC1=CC(=CC=C1)Br Z17129088 [1,0,0,0,0,1|2,0,0]=4 835 B13R1.149 NC(=O)CSCC1=CC(=CC=C1)N Z1813147313 [1,0,0,0,0,1|2,0,0]=4 836 B13R1.149 NC(=O)NCCC1=CC(=CC=C1)Cl Z198195798 [1,0,0,0,0,1|2,0,0]=4 837 B13R1.149 O=C(O)C/C=C/C1=CC(=CC=C1)F Z1350606434 [1,0,0,0,0,1|1,0,1]=4 838 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Br Z1097106911 [1,0,0,0,0,1|1,0,0]=3 839 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Cl Z1198171600 [1,0,0,0,0,1|1,0,0]=3 840 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)Br Z56893184 [1,0,0,0,0,1|1,0,0]=3 841 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)Cl Z240085186 [1,0,0,0,0,1|1,0,0]=3 842 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)F Z240085194 [1,0,0,0,0,1|1,0,0]=3 843 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)I Z381428310 [1,0,0,0,0,1|1,0,0]=3 844 B13R1.149 O=C(O)CCSC1=CC(=CC=C1)Cl Z994465870 [1,0,0,0,0,1|1,0,0]=3 845 B13R1.149 O=C(O)CNCC1=CC(=CC=C1)Br Z239092040 [1,0,0,0,0,1|1,0,0]=3 846 B13R1.149 O=C(O)CNCC1=CC(=CC=C1)F Z763367852 [1,0,0,0,0,1|1,0,0]=3 847 B13R1.149 O=C(O)COCC1=CC(=CC=C1)Cl Z1258763876 [1,0,0,0,0,1|1,0,0]=3 848 B13R1.149 O=C(O)COCC1=CC(=O)NC=C1 Z2680630303 [1,0,0,0,0,1|1,0,1]=4 849 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Br Z19692009 [1,0,0,0,0,1|1,0,0]=3 850 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Cl Z19691783 [1,0,0,0,0,1|1,0,0]=3 851 B13R1.149 O=C(O)CSCC1=CC(=CN=C1)F Z4359812984 [1,0,0,0,0,1|2,0,0]=4 852 B15R1.120 CN(CCC(=O)O)CC1=CC(=CC=C1)Cl Z57028587 [0,0,0,0,0,2|2,0,0]=4 853 B15R1.120 O=C(O)CNC(=O)CC1=CC(=CC=C1)O Z816009634 [0,0,0,0,0,2|1,0,1]=4