0 B13R1.133 C/C(=C\C1=CC=C(C=C1)F)/C(=O)O Z1350606414 [0,0,0,0,0,0|1,1,2]=4 1 B13R1.133 CC(C)C(N)CC1=CC=C(C=C1)Cl Z513796444 [0,0,0,0,0,0|2,1,1]=4 2 B13R1.133 CC(C)C(N)CC1=CC=C(C=C1)F Z513796714 [0,0,0,0,0,0|2,1,1]=4 3 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)N Z1551999220 [0,0,0,0,0,0|2,1,0]=3 4 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)O Z513659390 [0,0,0,0,0,0|1,1,0]=2 5 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O Z513659166 [0,0,0,0,0,0|1,1,0]=2 6 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)O Z513658938 [0,0,0,0,0,0|1,1,0]=2 7 B13R1.133 CC(CC1=CC=C(C=C1)N)C(=O)O Z1262515083 [0,0,0,0,0,0|2,0,0]=2 8 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O Z56347385 [0,0,0,0,0,0|2,1,0]=3 9 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)N Z19727416 [0,0,0,0,0,0|3,1,0]=4 10 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O Z56922097 [0,0,0,0,0,0|2,1,0]=3 11 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O Z90662162 [0,0,0,0,0,0|2,1,0]=3 12 B13R1.133 CC(OC1=CC=C(C=C1)O)C(=O)N Z381414584 [0,0,0,0,0,0|4,0,0]=4 13 B13R1.133 CC(SC1=CC=C(C=C1)Br)C(=O)N Z18744282 [0,0,0,0,0,0|3,1,0]=4 14 B13R1.133 CC(SC1=CC=C(C=C1)Br)C(=O)O Z56278798 [0,0,0,0,0,0|2,1,0]=3 15 B13R1.133 CC(SC1=CC=C(C=C1)Cl)C(=O)O Z55179957 [0,0,0,0,0,0|2,1,0]=3 16 B13R1.133 CC(SC1=CC=C(C=C1)F)C(=O)N Z16034529 [0,0,0,0,0,0|3,1,0]=4 17 B13R1.133 CC(SC1=CC=C(C=C1)F)C(=O)O Z56279369 [0,0,0,0,0,0|2,1,0]=3 18 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O Z271004544 [0,0,0,0,0,0|2,0,1]=3 19 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O Z513658700 [0,0,0,0,0,0|2,0,0]=2 20 B13R1.133 CC1=CC=C(C=C1)CN(C)C(=O)N Z198194138 [0,0,0,0,0,0|4,0,0]=4 21 B13R1.133 CC1=CC=C(C=C1)NC(=O)C(=O)O Z57984667 [0,0,0,0,0,0|3,0,1]=4 22 B13R1.133 CC1=CC=C(C=C1)OC(C)C(=O)O Z56915889 [0,0,0,0,0,0|3,0,0]=3 23 B13R1.133 CC1=CC=C(C=C1)SC(C)C(=O)N Z18769844 [0,0,0,0,0,0|4,0,0]=4 24 B13R1.133 CC1=CC=C(C=C1)SC(C)C(=O)O Z56278800 [0,0,0,0,0,0|3,0,0]=3 25 B13R1.133 C[C@H](OC1=CC=C(C=C1)Cl)C(=O)O Z1508916088 [0,0,0,0,0,0|2,1,0]=3 26 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)Cl Z2065464318 [0,0,0,0,0,0|1,1,0]=2 27 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O Z3211890270 [0,0,0,0,0,0|2,0,0]=2 28 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O Z317024982 [0,0,0,0,0,0|0,1,0]=1 29 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O Z57969728 [0,0,0,0,0,0|0,1,0]=1 30 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O Z1263631851 [0,0,0,0,0,0|0,0,0]=0 31 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [0,0,0,0,0,0|1,0,0]=1 32 B13R1.133 NC(CC1=CN=C(C=C1)O)C(=O)O Z3543676837 [0,0,0,0,0,0|2,0,0]=2 33 B13R1.133 NC(CC1=NC=C(C=C1)Cl)C(=O)O Z3499018105 [0,0,0,0,0,0|1,1,0]=2 34 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O Z995228058 [0,0,0,0,0,0|0,1,0]=1 35 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O Z1269142887 [0,0,0,0,0,0|0,0,0]=0 36 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756440046 [0,0,0,0,0,0|1,0,0]=1 37 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O Z995228428 [0,0,0,0,0,0|0,1,0]=1 38 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O Z995228438 [0,0,0,0,0,0|0,1,0]=1 39 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O Z1269112635 [0,0,0,0,0,0|0,0,0]=0 40 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O Z969739284 [0,0,0,0,0,0|1,0,0]=1 41 B13R1.133 O=C(O)C(=O)NC1=CC=C(C=C1)Cl Z90122505 [0,0,0,0,0,0|2,1,1]=4 42 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)F Z57388220 [0,0,0,0,0,0|1,1,0]=2 43 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)F Z1255373692 [0,0,0,0,0,0|1,1,0]=2 44 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [1,0,0,0,0,0|2,0,0]=3 45 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [1,0,0,0,0,0|1,1,0]=3 46 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [1,0,0,0,0,0|1,0,0]=2 47 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Br Z816034502 [1,0,0,0,0,0|2,1,0]=4 48 B12R1.21 CC(=O)NCC1=CC=C(C=C1)N Z600391558 [1,0,0,0,0,0|3,0,0]=4 49 B12R1.21 CC(N)CCC1=CC=C(C=C1)I Z1947443961 [1,0,0,0,0,0|2,0,1]=4 50 B12R1.21 CC(O)CCC1=CC=C(C=C1)O Z57921369 [1,0,0,0,0,0|2,0,1]=4 51 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851512 [1,0,0,0,0,0|1,0,2]=4 52 B12R1.21 CC1=CC=C(C=C1)CCC(=O)N Z194976512 [1,0,0,0,0,0|2,0,0]=3 53 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [1,0,0,0,0,0|1,0,0]=2 54 B12R1.21 CC1=CC=C(C=C1)CNC(=O)N Z198194838 [1,0,0,0,0,0|3,0,0]=4 55 B12R1.21 CC1=CC=C(C=C1)OCC(=O)N Z19732046 [1,0,0,0,0,0|3,0,0]=4 56 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O Z56812739 [1,0,0,0,0,0|2,0,0]=3 57 B12R1.21 CC1=CC=C(C=C1)SCC(=O)N Z18770000 [1,0,0,0,0,0|3,0,0]=4 58 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O Z55903478 [1,0,0,0,0,0|2,0,0]=3 59 B12R1.21 CC1=NC=C(C=C1)CCC(=O)O Z2310699273 [1,0,0,0,0,0|2,0,0]=3 60 B12R1.21 NC(=O)CCC1=CC=C(C=C1)F Z87614992 [1,0,0,0,0,0|1,1,0]=3 61 B12R1.21 NC(=O)CCC1=CC=C(C=C1)N Z414316852 [1,0,0,0,0,0|2,0,0]=3 62 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Br Z104586672 [1,0,0,0,0,0|2,1,0]=4 63 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Cl Z104647358 [1,0,0,0,0,0|2,1,0]=4 64 B12R1.21 NC(=O)CNC1=CC=C(C=C1)I Z104728120 [1,0,0,0,0,0|2,0,0]=3 65 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br Z19725712 [1,0,0,0,0,0|2,1,0]=4 66 B12R1.21 NC(=O)COC1=CC=C(C=C1)F Z19734788 [1,0,0,0,0,0|2,1,0]=4 67 B12R1.21 NC(=O)COC1=CC=C(C=C1)I Z25086979 [1,0,0,0,0,0|2,0,0]=3 68 B12R1.21 NC(=O)COC1=CC=C(C=C1)N Z239127428 [1,0,0,0,0,0|3,0,0]=4 69 B12R1.21 NC(=O)COC1=CC=C(C=C1)O Z381414726 [1,0,0,0,0,0|3,0,0]=4 70 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Br Z18744574 [1,0,0,0,0,0|2,1,0]=4 71 B12R1.21 NC(=O)CSC1=CC=C(C=C1)F Z16034821 [1,0,0,0,0,0|2,1,0]=4 72 B12R1.21 NC(=O)NCC1=CC=C(C=C1)F Z198194834 [1,0,0,0,0,0|2,1,0]=4 73 B12R1.21 NC(=O)NCC1=CC=C(C=C1)N Z600391988 [1,0,0,0,0,0|3,0,0]=4 74 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O Z56762319 [1,0,0,0,0,0|1,0,2]=4 75 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [1,0,0,0,0,0|1,0,0]=2 76 B12R1.21 NC1=CC=C(C=C1)OCC(=O)O Z3241275736 [1,0,0,0,0,0|2,0,0]=3 77 B12R1.21 NC1=NC=C(C=C1)CCC(=O)O Z1255384430 [1,0,0,0,0,0|2,0,0]=3 78 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Br Z2237493681 [1,0,0,0,0,0|0,1,2]=4 79 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Cl Z56989206 [1,0,0,0,0,0|0,1,2]=4 80 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)F Z2942851074 [1,0,0,0,0,0|0,1,2]=4 81 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)O Z56911963 [1,0,0,0,0,0|1,0,2]=4 82 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [1,0,0,0,0,0|0,1,0]=2 83 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [1,0,0,0,0,0|0,1,0]=2 84 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [1,0,0,0,0,0|0,1,0]=2 85 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [1,0,0,0,0,0|1,0,0]=2 86 B12R1.21 O=C(O)CCC1=CN=C(C=C1)Cl Z1695923041 [1,0,0,0,0,0|1,1,0]=3 87 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Z1889997460 [1,0,0,0,0,0|2,0,0]=3 88 B12R1.21 O=C(O)CCC1=NC=C(C=C1)Br Z1269216724 [1,0,0,0,0,0|1,1,0]=3 89 B12R1.21 O=C(O)CCC1=NC=C(C=N1)F Z1347205920 [1,0,0,0,0,0|2,1,0]=4 90 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Br Z274534708 [1,0,0,0,0,0|1,1,0]=3 91 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Cl Z274534702 [1,0,0,0,0,0|1,1,0]=3 92 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O Z57127481 [1,0,0,0,0,0|2,0,0]=3 93 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br Z56812736 [1,0,0,0,0,0|1,1,0]=3 94 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl Z57181989 [1,0,0,0,0,0|1,1,0]=3 95 B12R1.21 O=C(O)COC1=CC=C(C=C1)F Z56978034 [1,0,0,0,0,0|1,1,0]=3 96 B12R1.21 O=C(O)COC1=CC=C(C=C1)I Z56943814 [1,0,0,0,0,0|1,0,0]=2 97 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [1,0,0,0,0,0|2,0,0]=3 98 B12R1.21 O=C(O)COC1=NC=C(C=C1)Br Z1269227587 [1,0,0,0,0,0|2,1,0]=4 99 B12R1.21 O=C(O)COC1=NC=C(C=C1)F Z1723875084 [1,0,0,0,0,0|2,1,0]=4 100 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Br Z55903477 [1,0,0,0,0,0|1,1,0]=3 101 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Cl Z55179956 [1,0,0,0,0,0|1,1,0]=3 102 B12R1.21 O=C(O)CSC1=CC=C(C=C1)F Z55903650 [1,0,0,0,0,0|1,1,0]=3 103 B12R1.21 O=C(O)CSC1=CC=C(C=C1)O Z733878444 [1,0,0,0,0,0|2,0,0]=3 104 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O Z2980228149 [1,0,0,0,0,0|1,0,2]=4 105 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [1,0,0,0,0,0|1,0,0]=2 106 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [1,0,0,0,0,0|1,0,0]=2 107 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Z3477804988 [1,0,0,0,0,0|2,0,0]=3 108 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [1,0,0,0,0,0|2,0,0]=3 109 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [1,0,0,0,0,0|2,0,0]=3 110 B12R1.43 CC(OC1=CN=CC=C1)C(=O)O Z336080820 [1,0,0,0,0,0|3,0,0]=4 111 B12R1.43 CC(OC1=NC=CC=C1)C(=O)O Z360507460 [1,0,0,0,0,0|3,0,0]=4 112 B12R1.43 CC(SC1=CC=CC=C1)C(=O)N Z19751098 [1,0,0,0,0,0|3,0,0]=4 113 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [1,0,0,0,0,0|2,0,0]=3 114 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O Z31250551 [1,0,0,0,0,0|3,0,0]=4 115 B12R1.43 CN(CC1=CC=CC=C1)C(=O)N Z198194348 [1,0,0,0,0,0|3,0,0]=4 116 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [1,0,0,0,0,0|1,0,0]=2 117 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [1,0,0,0,0,0|1,0,0]=2 118 B12R1.43 NC(=O)C(N)CC1=NC=CC=C1 Z4981909244 [1,0,0,0,0,0|2,0,0]=3 119 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [1,0,0,0,0,0|1,0,0]=2 120 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [1,0,0,0,0,0|1,0,0]=2 121 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [1,0,0,0,0,0|0,0,0]=1 122 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [1,0,0,0,0,0|1,0,0]=2 123 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [1,0,0,0,0,0|1,0,0]=2 124 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O Z3697694105 [1,0,0,0,0,0|2,0,0]=3 125 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [1,0,0,0,0,0|1,0,0]=2 126 B12R1.43 NC(CC1=NC=CC=N1)C(=O)O Z2432992279 [1,0,0,0,0,0|2,0,0]=3 127 B12R1.43 NC(CC1=NC=NC=C1)C(=O)O Z2470415568 [1,0,0,0,0,0|2,0,0]=3 128 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [1,0,0,0,0,0|0,0,0]=1 129 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [1,0,0,0,0,0|0,0,0]=1 130 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [1,0,0,0,0,0|1,0,1]=3 131 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 Z362848468 [1,0,0,0,0,0|2,0,1]=4 132 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [1,0,0,0,0,0|1,0,0]=2 133 B12R1.43 O=C(O)C(O)CC1=NC=CC=C1 Z3486862716 [1,0,0,0,0,0|2,0,0]=3 134 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [1,0,0,0,0,0|1,0,0]=2 135 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [1,0,0,0,0,0|1,0,0]=2 136 B12R1.49 CC1=CC=C(C=C1)CC(Cl)C=O Z982126370 [1,0,0,0,0,0|2,0,0]=3 137 B12R1.49 CC1=CC=C(C=C1)CC(N)CO Z1800620539 [1,0,0,0,0,0|1,0,1]=3 138 B12R1.49 CCC(N)CC1=CC=C(C=C1)Br Z2582143601 [1,0,0,0,0,0|1,1,1]=4 139 B12R1.49 CCC(N)CC1=CC=C(C=C1)C Z431980102 [1,0,0,0,0,0|2,0,1]=4 140 B12R1.49 CCC(N)CC1=CC=C(C=C1)Cl Z2044769785 [1,0,0,0,0,0|1,1,1]=4 141 B12R1.49 CCC(N)CC1=CC=C(C=C1)F Z2492774579 [1,0,0,0,0,0|1,1,1]=4 142 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [1,0,0,0,0,0|2,0,1]=4 143 B12R1.49 NC(CO)CC1=CC=C(C=C1)Cl Z3244488892 [1,0,0,0,0,0|0,1,1]=3 144 B12R1.49 NC(CO)CC1=CC=C(C=C1)F Z1849004242 [1,0,0,0,0,0|0,1,1]=3 145 B12R1.49 NC(CO)CC1=CC=C(C=C1)I Z1263636488 [1,0,0,0,0,0|0,0,1]=2 146 B12R1.49 NC1=CC=C(C=C1)CC(F)CO Z4580450313 [1,0,0,0,0,0|2,0,1]=4 147 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [1,0,0,0,0,0|1,0,1]=3 148 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [1,0,0,0,0,0|1,0,1]=3 149 B14R1.3 CC(CC1=CC=C(C=C1)C#N)C(=O)O Z1198652586 [0,1,0,0,0,0|2,0,0]=3 150 B14R1.3 CC(OC1=CC=C(C=C1)C#N)C(=O)O Z65534997 [0,1,0,0,0,0|3,0,0]=4 151 B14R1.3 CC(OC1=CC=C(C=C1)C=O)C(=O)O Z400426336 [0,1,0,0,0,0|3,0,0]=4 152 B14R1.3 CC(SC1=CC=C(C=C1)C#N)C(=O)O Z331871172 [0,1,0,0,0,0|3,0,0]=4 153 B14R1.3 COC1=CC=C(C=C1)CC(C)C(=O)O Z513659616 [0,1,0,0,0,0|2,0,0]=3 154 B14R1.3 COC1=CC=C(C=C1)CC(O)C(=O)O Z1198174222 [0,1,0,0,0,0|2,0,0]=3 155 B14R1.3 COC1=CC=C(C=C1)OC(C)C(=O)O Z57825367 [0,1,0,0,0,0|3,0,0]=4 156 B14R1.3 COC1=CC=C(C=C1)SC(C)C(=O)O Z149354266 [0,1,0,0,0,0|3,0,0]=4 157 B14R1.3 CSC1=CC=C(C=C1)CC(N)C(=O)O Z1695906941 [0,1,0,0,0,0|1,0,0]=2 158 B14R1.3 CSC1=CC=C(C=C1)OC(C)C(=O)O Z1143283334 [0,1,0,0,0,0|3,0,0]=4 159 B14R1.132 CC(C(=O)O)C(N)C1=CC=C(C=C1)Br Z1895583549 [0,1,0,0,0,0|1,1,0]=3 160 B14R1.132 CC1=CC=C(C=C1)C(C)C(O)C(=O)O Z1271904593 [0,1,0,0,0,0|2,0,0]=3 161 B14R1.134 COC(=O)C(C)NC1=CC=C(C=C1)Br Z727818918 [0,1,0,0,0,0|2,1,0]=4 162 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)F Z24274546 [0,1,0,0,0,0|2,1,0]=4 163 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)F Z1511495088 [0,1,0,0,0,0|0,1,0]=2 164 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)O Z57000505 [0,1,0,0,0,0|1,0,0]=2 165 B14R1.134 COC(=O)N(C)CC1=CC=C(C=C1)N Z425368560 [0,1,0,0,0,0|3,0,0]=4 166 B14R1.536 CC1=CC=C(C=C1)CC(CN)C(=O)O Z1478043848 [0,1,0,0,0,0|1,0,0]=2 167 B14R1.536 CCC(CC1=CC=C(C=C1)N)C(=O)O Z1262539468 [0,1,0,0,0,0|2,0,0]=3 168 B14R1.536 NCC(CC1=CC=C(C=C1)Cl)C(=O)O Z1222331429 [0,1,0,0,0,0|0,1,0]=2 169 B14R1.536 NCC(CC1=CC=C(C=C1)F)C(=O)N Z367446796 [0,1,0,0,0,0|1,1,0]=3 170 B14R1.536 NCC(OC1=CC=C(C=C1)F)C(=O)O Z1508667025 [0,1,0,0,0,0|1,1,0]=3 171 B14R1.686 CC(CC1=CC(=C(C=C1)F)Br)C(=O)O Z756390562 [0,1,0,0,0,0|1,1,0]=3 172 B14R1.686 CC(CC1=CC(=C(C=C1)F)F)C(=O)O Z1341747667 [0,1,0,0,0,0|1,1,0]=3 173 B14R1.686 CC(CC1=CC(=C(C=C1)O)O)C(=O)O Z1198162859 [0,1,0,0,0,0|2,0,0]=3 174 B14R1.686 CC(OC1=CC(=C(C=C1)Cl)Cl)C(=O)O Z65558816 [0,1,0,0,0,0|2,1,0]=4 175 B14R1.686 CC(OC1=CC(=C(C=C1)F)F)C(=O)O Z228583520 [0,1,0,0,0,0|2,1,0]=4 176 B14R1.686 CC(SC1=CC(=C(C=C1)F)F)C(=O)O Z92657116 [0,1,0,0,0,0|2,1,0]=4 177 B14R1.686 CC1=C(C=C(C=C1)CC(N)C(=O)O)C Z2238618571 [0,1,0,0,0,0|1,0,0]=2 178 B14R1.686 CC1=C(C=C(C=C1)CC(S)C(=O)O)C Z57982188 [0,1,0,0,0,0|2,0,0]=3 179 B14R1.686 CC1=C(C=CC(=C1)OC(C)C(=O)O)Cl Z149187304 [0,1,0,0,0,0|2,1,0]=4 180 B14R1.686 NC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)O Z317025744 [0,1,0,0,0,0|0,1,0]=2 181 B14R1.686 NC(CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5185412106 [0,1,0,0,0,0|0,1,0]=2 182 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)Br)C(=O)O Z1269188313 [0,1,0,0,0,0|1,0,0]=2 183 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)I)C(=O)O Z1269198907 [0,1,0,0,0,0|1,0,0]=2 184 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]=2 185 B14R1.686 N[C@H](CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5212272143 [0,1,0,0,0,0|0,1,0]=2 186 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]=2 187 B14R1.686 O=C(O)C(=O)CC1=CC(=C(C=C1)Cl)Cl Z234896633 [0,1,0,0,0,0|1,1,1]=4 188 B14R1.700 CC(C)(O)C(N)CC1=CC=C(C=C1)F Z3251561990 [0,1,0,0,0,0|1,1,1]=4 189 B14R1.6049 CC(CC1=C(C=C(C=C1)Cl)Cl)C(=O)N Z1148102314 [0,1,0,0,0,0|2,1,0]=4 190 B14R1.6049 CC(CC1=C(C=C(C=C1)Cl)Cl)C(=O)O Z756390528 [0,1,0,0,0,0|1,1,0]=3 191 B14R1.6049 CC(NC1=C(C=C(C=C1)Cl)Cl)C(=O)O Z852756828 [0,1,0,0,0,0|2,1,0]=4 192 B14R1.6049 CC(OC1=C(C=C(C=C1)Br)F)C(=O)O Z65900763 [0,1,0,0,0,0|2,1,0]=4 193 B14R1.6049 CC(OC1=C(C=C(C=C1)Cl)Br)C(=O)O Z65900097 [0,1,0,0,0,0|2,1,0]=4 194 B14R1.6049 CC(OC1=C(C=C(C=C1)Cl)Cl)C(=O)O Z57181990 [0,1,0,0,0,0|2,1,0]=4 195 B14R1.6049 CC(OC1=C(C=C(C=C1)F)Br)C(=O)O Z65900346 [0,1,0,0,0,0|2,1,0]=4 196 B14R1.6049 CC(OC1=C(C=C(C=C1)F)Cl)C(=O)O Z65572154 [0,1,0,0,0,0|2,1,0]=4 197 B14R1.6049 CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O Z104496946 [0,1,0,0,0,0|2,1,0]=4 198 B14R1.6049 CC1=C(C=CC(=C1)Cl)O[C@@H](C)C(=O)O Z1508917184 [0,1,0,0,0,0|2,1,0]=4 199 B14R1.6049 CC1=C(C=CC(=C1)Cl)O[C@H](C)C(=O)O Z1269231761 [0,1,0,0,0,0|2,1,0]=4 200 B14R1.6049 CC1=CC(=C(C=C1)OC(C)C(=O)O)Br Z228583550 [0,1,0,0,0,0|3,0,0]=4 201 B14R1.6049 CC1=CC(=C(C=C1)OC(C)C(=O)O)C Z228583516 [0,1,0,0,0,0|3,0,0]=4 202 B14R1.6049 C[C@H](OC1=C(C=C(C=C1)Cl)Cl)C(=O)O Z1269114363 [0,1,0,0,0,0|2,1,0]=4 203 B14R1.6049 NC(CC1=C(C=C(C=C1)F)F)C(=O)O Z3847441641 [0,1,0,0,0,0|0,1,0]=2 204 B14R1.6049 NC(CC1=CNC(=O)NC1=O)C(=O)O Z3627917021 [0,1,0,0,0,0|3,0,0]=4 205 B14R1.6049 NC(CN1C=CC(=O)NC1=O)C(=O)O Z1235963691 [0,1,0,0,0,0|3,0,0]=4 206 B14R1.7626 CC(C)(CC1=CC=C(C=C1)Br)C(=O)O Z995179700 [0,1,0,0,0,0|1,1,0]=3 207 B14R1.7626 CC(C)(CC1=CC=C(C=C1)Cl)C(=O)O Z995179626 [0,1,0,0,0,0|1,1,0]=3 208 B14R1.7626 CC(C)(CC1=CC=C(C=C1)O)C(=O)O Z1376887330 [0,1,0,0,0,0|2,0,0]=3 209 B14R1.7626 CC(C)(OC1=CC=C(C=C1)Br)C(=O)O Z57229604 [0,1,0,0,0,0|2,1,0]=4 210 B14R1.7626 CC(C)(OC1=CC=C(C=C1)Cl)C(=O)O Z57727844 [0,1,0,0,0,0|2,1,0]=4 211 B14R1.7626 CC(C)(OC1=CC=C(C=C1)F)C(=O)O Z57047005 [0,1,0,0,0,0|2,1,0]=4 212 B14R1.7626 CC(C)(SC1=CC=C(C=C1)Br)C(=O)O Z803539492 [0,1,0,0,0,0|2,1,0]=4 213 B14R1.7626 CC(N)(CC1=CC=C(C=C1)Br)C(=O)O Z2786605576 [0,1,0,0,0,0|0,1,0]=2 214 B14R1.7626 CC(N)(CC1=CC=C(C=C1)F)C(=O)O Z2734797269 [0,1,0,0,0,0|0,1,0]=2 215 B14R1.7626 C[C@](N)(CC1=CC=C(C=C1)O)C(=O)O Z1255434943 [0,1,0,0,0,0|1,0,0]=2 216 B14R2.4400 CC1=CC=C(C=C1)C2NC(=O)C2C Z1273099352 [0,0,0,1,0,0|3,0,0]=4 217 B14R2.4402 CC(=O)C1CC1C2=CC=C(C=C2)F Z370707900 [0,0,0,1,0,0|2,1,0]=4 218 B14R2.4402 CC1=CC=C(C=C1)C2CC2C(=O)O Z450468392 [0,0,0,1,0,0|2,0,0]=3 219 B14R2.4402 NC1=CC=C(C=C1)[C@@H]2C[C@H]2C(=O)O Z2309896677 [0,0,0,1,0,0|2,0,0]=3 220 B14R2.4402 O=C(O)C1CC1C2=CC=C(C=C2)Br Z450468406 [0,0,0,1,0,0|1,1,0]=3 221 B14R2.4402 O=C(O)C1CC1C2=CC=C(C=C2)F Z203244232 [0,0,0,1,0,0|1,1,0]=3 222 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(C=C2)Cl Z2306910175 [0,0,0,1,0,0|1,1,0]=3 223 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(C=C2)F Z2327124588 [0,0,0,1,0,0|1,1,0]=3 224 B14R2.4529 CC1=CC2=C(C=C1)C=C(N2)C(=O)O Z119989628 [0,0,0,1,0,0|1,0,2]=4 225 B14R2.4529 CC1=CC2=C(C=C1)CC(S2)C(=O)O Z223677100 [0,0,0,1,0,0|2,0,0]=3 226 B14R2.4529 NC1=CC2=C(C=C1)NC(C2)C(=O)O Z3325140518 [0,0,0,1,0,0|3,0,0]=4 227 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Br Z119989542 [0,0,0,1,0,0|0,1,2]=4 228 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Cl Z119990438 [0,0,0,1,0,0|0,1,2]=4 229 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)F Z119989546 [0,0,0,1,0,0|0,1,2]=4 230 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)I Z1269156950 [0,0,0,1,0,0|0,0,2]=3 231 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)I Z1269156688 [0,0,0,1,0,0|2,0,1]=4 232 B14R2.4529 O=C(O)C1CC2=C(C1)C=C(C=C2)F Z1262528526 [0,0,0,1,0,0|1,1,0]=3 233 B14R2.4529 O=C(O)C1CC2=C(C1)N=CC(=C2)Br Z3301448719 [0,0,0,1,0,0|2,1,0]=4 234 B14R2.4529 O=C(O)C1CC2=C(O1)C=C(C=C2)Br Z2751941707 [0,0,0,1,0,0|1,1,0]=3 235 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)Br Z1269223909 [0,0,0,1,0,0|2,1,0]=4 236 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)Cl Z104341198 [0,0,0,1,0,0|2,1,0]=4 237 B14R2.8239 NC1CC2=C(C=C(C=C2)Br)NC1=O Z2651689853 [0,0,0,1,0,0|1,1,0]=3 238 B12R1.20 C=C(C(=O)O)C1=CC=C(C=C1)Cl Z1255421681 [0,0,0,0,1,0|1,1,1]=4 239 B12R1.20 CC(=O)C(C)C1=CC=C(C=C1)Cl Z1276728135 [0,0,0,0,1,0|2,1,0]=4 240 B12R1.20 CC(=O)C(Cl)C1=CC=C(C=C1)F Z1255439681 [0,0,0,0,1,0|2,1,0]=4 241 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)Br Z1259342200 [0,0,0,0,1,0|1,1,0]=3 242 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)Cl Z982129848 [0,0,0,0,1,0|1,1,0]=3 243 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F Z792377290 [0,0,0,0,1,0|1,1,0]=3 244 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)I Z1269218602 [0,0,0,0,1,0|1,0,0]=2 245 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)N Z2935001159 [0,0,0,0,1,0|2,0,0]=3 246 B12R1.20 CC1=CC=C(C=C1)C(=O)C(=O)O Z118430526 [0,0,0,0,1,0|2,0,1]=4 247 B12R1.20 CC1=CC=C(C=C1)C(C)C(=O)O Z792377274 [0,0,0,0,1,0|2,0,0]=3 248 B12R1.20 CC1=CC=C(C=C1)C(N)C(=O)O Z317024662 [0,0,0,0,1,0|1,0,0]=2 249 B12R1.20 NC(=O)C(Br)C1=CC=C(C=C1)F Z198750878 [0,0,0,0,1,0|2,1,0]=4 250 B12R1.20 NC(=O)C(Cl)C1=CC=C(C=C1)Br Z56791849 [0,0,0,0,1,0|2,1,0]=4 251 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)Br Z57069227 [0,0,0,0,1,0|1,1,0]=3 252 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)Cl Z1255523404 [0,0,0,0,1,0|1,1,0]=3 253 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)F Z220512688 [0,0,0,0,1,0|1,1,0]=3 254 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Br Z317024668 [0,0,0,0,1,0|0,1,0]=2 255 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Cl Z317024646 [0,0,0,0,1,0|0,1,0]=2 256 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)F Z317024670 [0,0,0,0,1,0|0,1,0]=2 257 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O Z1198149764 [0,0,0,0,1,0|1,0,0]=2 258 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)F Z1255390982 [0,0,0,0,1,0|0,1,0]=2 259 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O Z1255364887 [0,0,0,0,1,0|1,0,0]=2 260 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)Cl Z381360896 [0,0,0,0,1,0|1,1,1]=4 261 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)F Z381360860 [0,0,0,0,1,0|1,1,1]=4 262 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)O Z2472464309 [0,0,0,0,1,0|2,0,1]=4 263 B12R1.20 O=C(O)C(F)C1=CC=C(C=C1)F Z1318255176 [0,0,0,0,1,0|1,1,0]=3 264 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Br Z788000726 [0,0,0,0,1,0|1,1,0]=3 265 B12R1.104 CC1=CN(N=C1)CC(N)C(=O)O Z1737940744 [0,0,0,0,1,0|3,0,0]=4 266 B12R1.104 CN1C=C(C=N1)CC(N)C(=O)O Z1259335776 [0,0,0,0,1,0|3,0,0]=4 267 B12R1.104 CN1C=NC(=C1)C[C@H](N)C(=O)O Z3005524545 [0,0,0,0,1,0|3,0,0]=4 268 B12R1.104 NC(CC1=CSC(=C1)Cl)C(=O)O Z3464487109 [0,0,0,0,1,0|1,1,0]=3 269 B12R1.104 NC(CN1C=C(C=N1)Br)C(=O)O Z1762658278 [0,0,0,0,1,0|2,1,0]=4 270 B12R1.104 NC(CN1C=C(C=N1)Cl)C(=O)O Z1649677786 [0,0,0,0,1,0|2,1,0]=4 271 B12R1.104 NC1=NC(=CS1)CC(N)C(=O)O Z3482741151 [0,0,0,0,1,0|3,0,0]=4 272 B12R1.104 N[C@@H](CC1=CNC(=N1)S)C(=O)O Z1198148773 [0,0,0,0,1,0|3,0,0]=4 273 B12R1.104 N[C@H](CC1=CNC(=N1)S)C(=O)O Z1198234492 [0,0,0,0,1,0|3,0,0]=4 274 B14R1.679 C=C(COC1=CC=C(C=C1)Br)C(=O)O Z1197868030 [0,0,0,0,0,1|1,1,1]=4 275 B14R1.679 C=C(COC1=CC=C(C=C1)C)C(=O)O Z1197868140 [0,0,0,0,0,1|2,0,1]=4 276 B14R1.679 CC(CSC1=CC=C(C=C1)F)C(=O)O Z431541816 [0,0,0,0,0,1|1,1,0]=3 277 B14R1.679 CC(NCC1=CC=C(C=C1)F)C(=O)O Z363997798 [0,0,0,0,0,1|1,1,0]=3 278 B14R1.679 CC(OCC1=CC=C(C=C1)F)C(=O)O Z1262558351 [0,0,0,0,0,1|1,1,0]=3 279 B14R1.679 CC(SCC1=CC=C(C=C1)Br)C(=O)O Z18753942 [0,0,0,0,0,1|1,1,0]=3 280 B14R1.679 CC(SCC1=CC=C(C=C1)Cl)C(=O)N Z18432807 [0,0,0,0,0,1|2,1,0]=4 281 B14R1.679 CC(SCC1=CC=C(C=C1)I)C(=O)N Z1276481977 [0,0,0,0,0,1|2,0,0]=3 282 B14R1.679 CC1=CC=C(C=C1)COC(C)C(=O)O Z1714301562 [0,0,0,0,0,1|2,0,0]=3 283 B14R1.679 NC(CCC1=CC=C(C=C1)Br)C(=O)O Z4310725393 [0,0,0,0,0,1|0,1,0]=2 284 B14R1.679 NC1=CC=C(C=C1)SCC(N)C(=O)O Z1263568367 [0,0,0,0,0,1|1,0,0]=2 285 B14R1.679 O=C(O)C(=O)NCC1=CC=C(C=C1)F Z424779476 [0,0,0,0,0,1|1,1,1]=4 286 B14R1.698 CC(=O)NC(C)CC1=CC=C(C=C1)Br Z423118124 [0,0,0,0,0,1|2,1,0]=4 287 B14R1.698 CC(CC(=O)O)CC1=CC=C(C=C1)Cl Z1269212618 [0,0,0,0,0,1|1,1,0]=3 288 B14R1.698 CC1=CC=C(C=C1)CN(C)CC(=O)O Z1459900471 [0,0,0,0,0,1|3,0,0]=4 289 B11R1.1 CC1=NC=C(C=C1)CCC=O Z1233208116 [2,0,0,0,0,0|2,0,0]=4 290 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [2,0,0,0,0,0|0,1,0]=3 291 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [2,0,0,0,0,0|0,1,0]=3 292 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [2,0,0,0,0,0|0,1,0]=3 293 B11R1.1 O=CCOC1=CC=C(C=C1)F Z854102568 [2,0,0,0,0,0|1,1,0]=4 294 B11R1.1 O=CCSC1=CC=C(C=C1)F Z854102782 [2,0,0,0,0,0|1,1,0]=4 295 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [2,0,0,0,0,0|0,1,1]=4 296 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [2,0,0,0,0,0|2,0,0]=4 297 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [2,0,0,0,0,0|2,0,0]=4 298 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [2,0,0,0,0,0|2,0,0]=4 299 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [2,0,0,0,0,0|2,0,0]=4 300 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [2,0,0,0,0,0|1,0,0]=3 301 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [2,0,0,0,0,0|2,0,0]=4 302 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [2,0,0,0,0,0|2,0,0]=4 303 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [2,0,0,0,0,0|2,0,0]=4 304 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [2,0,0,0,0,0|2,0,0]=4 305 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [2,0,0,0,0,0|2,0,0]=4 306 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [2,0,0,0,0,0|2,0,0]=4 307 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [2,0,0,0,0,0|1,1,0]=4 308 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [2,0,0,0,0,0|0,0,2]=4 309 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [2,0,0,0,0,0|0,0,2]=4 310 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [2,0,0,0,0,0|0,0,0]=2 311 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [2,0,0,0,0,0|1,0,0]=3 312 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [2,0,0,0,0,0|1,0,0]=3 313 B11R1.91 O=C(O)CCC1=CN=CN=C1 Z1198279878 [2,0,0,0,0,0|2,0,0]=4 314 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [2,0,0,0,0,0|1,0,0]=3 315 B11R1.91 O=C(O)CCC1=NC=CC=N1 Z1255372831 [2,0,0,0,0,0|2,0,0]=4 316 B11R1.91 O=C(O)CCC1=NC=CN=C1 Z1198184629 [2,0,0,0,0,0|2,0,0]=4 317 B11R1.91 O=C(O)CCC1=NC=NC=C1 Z1184882132 [2,0,0,0,0,0|2,0,0]=4 318 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [2,0,0,0,0,0|1,0,0]=3 319 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [2,0,0,0,0,0|2,0,0]=4 320 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [2,0,0,0,0,0|2,0,0]=4 321 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [2,0,0,0,0,0|2,0,0]=4 322 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [2,0,0,0,0,0|1,0,0]=3 323 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [2,0,0,0,0,0|2,0,0]=4 324 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [2,0,0,0,0,0|1,0,0]=3 325 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [2,0,0,0,0,0|2,0,0]=4 326 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [2,0,0,0,0,0|2,0,0]=4 327 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [2,0,0,0,0,0|1,0,1]=4 328 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [2,0,0,0,0,0|1,0,1]=4 329 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [2,0,0,0,0,0|1,0,1]=4 330 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [2,0,0,0,0,0|1,0,0]=3 331 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [2,0,0,0,0,0|1,0,1]=4 332 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [2,0,0,0,0,0|0,0,1]=3 333 B11R1.40 NC(CO)CC1=CC=NC=C1 Z1824511267 [2,0,0,0,0,0|1,0,1]=4 334 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [2,0,0,0,0,0|1,0,1]=4 335 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [2,0,0,0,0,0|0,0,1]=3 336 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [2,0,0,0,0,0|0,0,1]=3 337 B11R1.20 CC(N)CC1=CC=C(C=C1)O Z57102382 [2,0,0,0,0,0|1,0,1]=4 338 B11R1.20 NC(=O)CC1=CC=C(C=C1)Br Z33546958 [2,0,0,0,0,0|0,1,1]=4 339 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl Z33546677 [2,0,0,0,0,0|0,1,1]=4 340 B11R1.20 NC(=O)CC1=CC=C(C=C1)F Z33546755 [2,0,0,0,0,0|0,1,1]=4 341 B11R1.20 NC(=O)CC1=CC=C(C=C1)N Z234895133 [2,0,0,0,0,0|1,0,1]=4 342 B11R1.20 NC(=O)NC1=CC=C(C=C1)I Z56754684 [2,0,0,0,0,0|1,0,1]=4 343 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)N Z62734438 [1,1,0,0,0,0|2,0,0]=4 344 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)O Z85929397 [1,1,0,0,0,0|1,0,0]=3 345 B13R1.3 CCC1=CC=C(C=C1)OCC(=O)O Z56824185 [1,1,0,0,0,0|2,0,0]=4 346 B13R1.3 COC1=CC=C(C=C1)CCC(=O)N Z33545386 [1,1,0,0,0,0|2,0,0]=4 347 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O Z104486868 [1,1,0,0,0,0|1,0,0]=3 348 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O Z57229609 [1,1,0,0,0,0|2,0,0]=4 349 B13R1.3 COC1=CC=C(C=C1)SCC(=O)O Z56770877 [1,1,0,0,0,0|2,0,0]=4 350 B13R1.3 COC1=NC=C(C=C1)CCC(=O)O Z1255504957 [1,1,0,0,0,0|2,0,0]=4 351 B13R1.3 CSC1=CC=C(C=C1)CCC(=O)O Z363916360 [1,1,0,0,0,0|1,0,0]=3 352 B13R1.3 N#CC1=CC=C(C=C1)CCC(=O)O Z178961286 [1,1,0,0,0,0|1,0,0]=3 353 B13R1.3 N#CC1=CC=C(C=C1)NCC(=O)O Z331870794 [1,1,0,0,0,0|2,0,0]=4 354 B13R1.3 N#CC1=CC=C(C=C1)OCC(=O)O Z56823031 [1,1,0,0,0,0|2,0,0]=4 355 B13R1.3 N#CC1=CC=C(C=C1)SCC(=O)O Z331871190 [1,1,0,0,0,0|2,0,0]=4 356 B13R1.3 NCC1=CC=C(C=C1)CCC(=O)O Z3301412701 [1,1,0,0,0,0|1,0,0]=3 357 B13R1.3 O=C(O)CCC1=CC=C(C=C1)CO Z1262512949 [1,1,0,0,0,0|1,0,0]=3 358 B13R1.3 O=C(O)COC1=CC=C(C=C1)CO Z359627548 [1,1,0,0,0,0|2,0,0]=4 359 B13R1.3 O=CC1=CC=C(C=C1)CCC(=O)O Z1954800611 [1,1,0,0,0,0|1,0,0]=3 360 B13R1.3 O=CC1=CC=C(C=C1)OCC(=O)O Z57305439 [1,1,0,0,0,0|2,0,0]=4 361 B13R1.14 CCC(=O)CCC1=CC=C(C=C1)Br Z406378158 [1,1,0,0,0,0|1,1,0]=4 362 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)Br Z1336804093 [1,1,0,0,0,0|1,1,0]=4 363 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)C Z192611328 [1,1,0,0,0,0|2,0,0]=4 364 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)F Z135505342 [1,1,0,0,0,0|1,1,0]=4 365 B13R1.14 COC(=O)CCC1=CC=C(C=C1)N Z802847350 [1,1,0,0,0,0|1,0,0]=3 366 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O Z796576156 [1,1,0,0,0,0|1,0,0]=3 367 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br Z19221314 [1,1,0,0,0,0|1,1,0]=4 368 B13R1.14 COC(=O)COC1=CC=C(C=C1)N Z57469153 [1,1,0,0,0,0|2,0,0]=4 369 B13R1.14 COC(=O)COC1=CC=C(C=C1)O Z1190318463 [1,1,0,0,0,0|2,0,0]=4 370 B13R1.14 COC(=O)CSC1=CC=C(C=C1)N Z5069220280 [1,1,0,0,0,0|2,0,0]=4 371 B13R1.14 NNC(=O)CNC1=CC=C(C=C1)I Z56797544 [1,1,0,0,0,0|2,0,0]=4 372 B13R1.14 O=C(CO)NCC1=CC=C(C=C1)Cl Z199532110 [1,1,0,0,0,0|1,1,0]=4 373 B13R1.14 O=C(CO)NCC1=CC=C(C=C1)F Z431953222 [1,1,0,0,0,0|1,1,0]=4 374 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br Z1269234118 [1,1,0,0,0,0|0,1,0]=3 375 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)F Z352782250 [1,1,0,0,0,0|0,1,0]=3 376 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)N Z1262514048 [1,1,0,0,0,0|1,0,0]=3 377 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O Z352782406 [1,1,0,0,0,0|1,0,0]=3 378 B13R1.132 CC1=CC=C(C=C1)C(N)CC(=O)O Z56912034 [1,1,0,0,0,0|1,0,0]=3 379 B13R1.132 NC(=O)C[C@@H](N)C1=CC=C(C=C1)Cl Z1346385388 [1,1,0,0,0,0|1,1,0]=4 380 B13R1.132 NC(=O)C[C@@H](N)C1=CC=C(C=C1)F Z1696091886 [1,1,0,0,0,0|1,1,0]=4 381 B13R1.132 NC(=O)C[C@H](N)C1=CC=C(C=C1)Cl Z756926884 [1,1,0,0,0,0|1,1,0]=4 382 B13R1.132 NC(=O)C[C@H](N)C1=CC=C(C=C1)F Z1696290104 [1,1,0,0,0,0|1,1,0]=4 383 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br Z147647162 [1,1,0,0,0,0|0,1,0]=3 384 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Cl Z56899122 [1,1,0,0,0,0|0,1,0]=3 385 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)F Z56921163 [1,1,0,0,0,0|0,1,0]=3 386 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Br Z1696824108 [1,1,0,0,0,0|0,1,0]=3 387 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)F Z4935533100 [1,1,0,0,0,0|0,1,0]=3 388 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)Cl Z982132070 [1,1,0,0,0,0|0,1,0]=3 389 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)F Z982132094 [1,1,0,0,0,0|0,1,0]=3 390 B13R1.132 O=C(O)CS(=O)C1=CC=C(C=C1)Cl Z802568764 [1,1,0,0,0,0|1,1,0]=4 391 B13R1.164 CC(=O)CCC1=C(C=C(C=C1)F)F Z963396602 [1,1,0,0,0,0|1,1,0]=4 392 B13R1.164 CC1=C(C=CC(=C1)Br)NCC(=O)O Z359505880 [1,1,0,0,0,0|1,1,0]=4 393 B13R1.164 CC1=C(C=CC(=C1)Br)SCC(=O)O Z56790608 [1,1,0,0,0,0|1,1,0]=4 394 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)O Z56824184 [1,1,0,0,0,0|1,1,0]=4 395 B13R1.164 CC1=C(C=CC(=C1)F)CCC(=O)O Z959351776 [1,1,0,0,0,0|0,1,0]=3 396 B13R1.164 CC1=CC(=C(C=C1)CCC(=O)N)C Z217351214 [1,1,0,0,0,0|2,0,0]=4 397 B13R1.164 CC1=CC(=C(C=C1)CCC(=O)O)Br Z1269174749 [1,1,0,0,0,0|1,0,0]=3 398 B13R1.164 CC1=CC(=C(C=C1)CCC(=O)O)C Z203050914 [1,1,0,0,0,0|1,0,0]=3 399 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)O)Br Z57203202 [1,1,0,0,0,0|2,0,0]=4 400 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)O)C Z57041994 [1,1,0,0,0,0|2,0,0]=4 401 B13R1.164 CC1=CC(=C(C=C1)SCC(=O)O)C Z55903769 [1,1,0,0,0,0|2,0,0]=4 402 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Br)F Z405046664 [1,1,0,0,0,0|0,1,0]=3 403 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)Br Z1269115792 [1,1,0,0,0,0|0,1,0]=3 404 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)Cl Z314668406 [1,1,0,0,0,0|0,1,0]=3 405 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)F Z1269172595 [1,1,0,0,0,0|0,1,0]=3 406 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)Br Z426022210 [1,1,0,0,0,0|0,1,0]=3 407 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)Cl Z426022268 [1,1,0,0,0,0|0,1,0]=3 408 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)F Z317037934 [1,1,0,0,0,0|0,1,0]=3 409 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Br)Cl Z57050133 [1,1,0,0,0,0|1,1,0]=4 410 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Br)F Z56923270 [1,1,0,0,0,0|1,1,0]=4 411 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)Br Z56924479 [1,1,0,0,0,0|1,1,0]=4 412 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)Cl Z56771026 [1,1,0,0,0,0|1,1,0]=4 413 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)F Z1416161884 [1,1,0,0,0,0|1,1,0]=4 414 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)Br Z56923211 [1,1,0,0,0,0|1,1,0]=4 415 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)Cl Z65572085 [1,1,0,0,0,0|1,1,0]=4 416 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)F Z239874904 [1,1,0,0,0,0|1,1,0]=4 417 B13R1.164 O=C(O)COC1=C(C=C(C=C1)I)Br Z5018658198 [1,1,0,0,0,0|1,0,0]=3 418 B13R1.164 O=C(O)CSC1=C(C=C(C=C1)Cl)Cl Z1269124447 [1,1,0,0,0,0|1,1,0]=4 419 B13R1.164 O=C(O)CSC1=C(C=C(C=C1)F)F Z92456882 [1,1,0,0,0,0|1,1,0]=4 420 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)Cl)Cl Z406376846 [1,1,0,0,0,0|1,1,0]=4 421 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)F)F Z1021461268 [1,1,0,0,0,0|1,1,0]=4 422 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)O)F Z1083021660 [1,1,0,0,0,0|2,0,0]=4 423 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C Z445853388 [1,1,0,0,0,0|1,0,0]=3 424 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Cl Z185153284 [1,1,0,0,0,0|1,0,0]=3 425 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)O)C Z56820874 [1,1,0,0,0,0|2,0,0]=4 426 B13R1.511 CC1=C(C=C(C=C1)SCC(=O)O)C Z55903758 [1,1,0,0,0,0|2,0,0]=4 427 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)N)Br Z1359984894 [1,1,0,0,0,0|1,1,0]=4 428 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)O)Br Z1269176292 [1,1,0,0,0,0|0,1,0]=3 429 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Br Z57204188 [1,1,0,0,0,0|1,1,0]=4 430 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Cl Z56823032 [1,1,0,0,0,0|1,1,0]=4 431 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)F Z1262524725 [1,1,0,0,0,0|1,1,0]=4 432 B13R1.511 NC(=O)CCC1=CC(=C(C=C1)F)F Z365255896 [1,1,0,0,0,0|1,1,0]=4 433 B13R1.511 NC(=O)NCC1=CC(=C(C=C1)I)Cl Z2007148452 [1,1,0,0,0,0|2,0,0]=4 434 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Br)Cl Z57039611 [1,1,0,0,0,0|0,1,0]=3 435 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)Cl Z237515176 [1,1,0,0,0,0|0,1,0]=3 436 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)F Z838969840 [1,1,0,0,0,0|0,1,0]=3 437 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)Cl Z839165388 [1,1,0,0,0,0|1,0,0]=3 438 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)Cl Z65558737 [1,1,0,0,0,0|1,1,0]=4 439 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)F Z1486018170 [1,1,0,0,0,0|1,1,0]=4 440 B13R1.511 O=C(O)COC1=CC(=C(C=C1)F)Cl Z65577990 [1,1,0,0,0,0|1,1,0]=4 441 B13R1.511 O=C(O)COC1=CC(=C(C=C1)F)F Z228583518 [1,1,0,0,0,0|1,1,0]=4 442 B13R1.511 O=C(O)CSC1=CC(=C(C=C1)F)F Z92655191 [1,1,0,0,0,0|1,1,0]=4 443 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 Z1449756300 [1,1,0,0,0,0|1,0,0]=3 444 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 Z56867313 [1,1,0,0,0,0|0,0,0]=2 445 B13R1.135 COC(=O)C(N)CC1=CC=NC=C1 Z2197092950 [1,1,0,0,0,0|1,0,0]=3 446 B13R1.135 COC(=O)C(N)CC1=NC=CC=N1 Z5222614167 [1,1,0,0,0,0|2,0,0]=4 447 B13R1.148 CC(CC1=CC(=CC=C1)Cl)C(=O)O Z513660282 [1,1,0,0,0,0|1,0,0]=3 448 B13R1.148 CC(CC1=CC(=CC=C1)F)C(=O)O Z513660066 [1,1,0,0,0,0|1,0,0]=3 449 B13R1.148 CC(OC1=CC(=CC=C1)Br)C(=O)O Z228583330 [1,1,0,0,0,0|2,0,0]=4 450 B13R1.148 CC(OC1=CC(=CC=C1)Cl)C(=O)O Z57042071 [1,1,0,0,0,0|2,0,0]=4 451 B13R1.148 CC(OC1=CC(=CC=C1)F)C(=O)O Z228583338 [1,1,0,0,0,0|2,0,0]=4 452 B13R1.148 CC(OC1=CC(=CC=C1)N)C(=O)O Z274525908 [1,1,0,0,0,0|2,0,0]=4 453 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O Z2470414651 [1,1,0,0,0,0|0,0,0]=2 454 B13R1.148 CC1=CC(=CN=C1)CC(N)C(=O)O Z3401637181 [1,1,0,0,0,0|1,0,0]=3 455 B13R1.148 CC1=CC=CC(=C1)OC(C)C(=O)O Z56917379 [1,1,0,0,0,0|2,0,0]=4 456 B13R1.148 CC1=NC(=CC=C1)CC(N)C(=O)O Z4910394436 [1,1,0,0,0,0|1,0,0]=3 457 B13R1.148 C[N+]1=CC(=CC=C1)CC(N)C(=O)O Z3827376923 [1,1,0,0,0,0|1,0,0]=3 458 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O Z1770192944 [1,1,0,0,0,0|0,0,0]=2 459 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O Z1374884687 [1,1,0,0,0,0|0,0,0]=2 460 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O Z317025828 [1,1,0,0,0,0|0,0,0]=2 461 B13R1.148 NC(CC1=CC(=CN=C1)Br)C(=O)O Z3444795124 [1,1,0,0,0,0|1,0,0]=3 462 B13R1.148 NC(CC1=CC(=CN=C1)Cl)C(=O)O Z3353591955 [1,1,0,0,0,0|1,0,0]=3 463 B13R1.148 NC(CC1=CC(=CN=C1)F)C(=O)O Z3376051877 [1,1,0,0,0,0|1,0,0]=3 464 B13R1.148 NC(CC1=CC(=CN=C1)O)C(=O)O Z3400819408 [1,1,0,0,0,0|1,0,0]=3 465 B13R1.148 NC(CC1=CC(=NC=C1)O)C(=O)O Z3481534727 [1,1,0,0,0,0|1,0,0]=3 466 B13R1.148 NC(CC1=NC(=CC=N1)O)C(=O)O Z3326140144 [1,1,0,0,0,0|2,0,0]=4 467 B13R1.148 NC(CC1=NC=CC(=C1)Cl)C(=O)O Z3780525124 [1,1,0,0,0,0|1,0,0]=3 468 B13R1.148 NC(CC1=NC=NC(=C1)O)C(=O)O Z3531845722 [1,1,0,0,0,0|2,0,0]=4 469 B13R1.148 NC1=CC(=NC=C1)CC(N)C(=O)O Z3400147310 [1,1,0,0,0,0|1,0,0]=3 470 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O Z995228186 [1,1,0,0,0,0|0,0,0]=2 471 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O Z995228562 [1,1,0,0,0,0|0,0,0]=2 472 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)Cl Z1269030667 [1,1,0,0,0,0|1,0,0]=3 473 B13R1.152 CC(C(=O)O)C(N)C1=CC=CC=C1 Z1272096620 [1,1,0,0,0,0|1,0,0]=3 474 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)N Z2182115487 [1,1,0,0,0,0|1,0,0]=3 475 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O Z802846100 [1,1,0,0,0,0|0,0,0]=2 476 B13R1.152 CC(C1=CC=CC=C1)C(O)C(=O)O Z802846688 [1,1,0,0,0,0|1,0,0]=3 477 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 Z1649893051 [1,1,0,0,0,0|0,0,0]=2 478 B13R1.202 CC(CC1=C(C=CC=C1)Cl)C(=O)O Z513661398 [1,1,0,0,0,0|1,0,0]=3 479 B13R1.202 CC(CC1=C(C=CC=C1)F)C(=O)O Z513661176 [1,1,0,0,0,0|1,0,0]=3 480 B13R1.202 CC(OC1=C(C=CC=C1)Br)C(=O)O Z228583522 [1,1,0,0,0,0|2,0,0]=4 481 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O Z65532924 [1,1,0,0,0,0|2,0,0]=4 482 B13R1.202 CC(OC1=C(C=CC=C1)F)C(=O)O Z65532537 [1,1,0,0,0,0|2,0,0]=4 483 B13R1.202 CC(SC1=C(C=CC=C1)Cl)C(=O)O Z56278782 [1,1,0,0,0,0|2,0,0]=4 484 B13R1.202 CC1=C(C=CC=C1)CC(C)C(=O)O Z513660952 [1,1,0,0,0,0|1,0,0]=3 485 B13R1.202 NC(=O)C(N)CC1=C(C=CC=C1)Cl Z1258519447 [1,1,0,0,0,0|1,0,0]=3 486 B13R1.202 NC(CC1=C(C=CC=C1)Br)C(=O)O Z2217033050 [1,1,0,0,0,0|0,0,0]=2 487 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O Z1065645436 [1,1,0,0,0,0|0,0,0]=2 488 B13R1.202 NC(CC1=C(N=CC=C1)O)C(=O)O Z3492296846 [1,1,0,0,0,0|1,0,0]=3 489 B13R1.202 NC(CC1=CN=CNC1=O)C(=O)O Z1510031321 [1,1,0,0,0,0|2,0,0]=4 490 B13R1.202 O=C(O)C(O)CC1=C(C=CC=C1)Cl Z1269030424 [1,1,0,0,0,0|1,0,0]=3 491 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)O Z513624620 [1,1,0,0,0,0|1,0,0]=3 492 B13R1.418 CCC(NC1=CC=CC=C1)C(=O)O Z274534828 [1,1,0,0,0,0|2,0,0]=4 493 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O Z104484470 [1,1,0,0,0,0|2,0,0]=4 494 B13R1.418 CCC(SC1=CC=CC=C1)C(=O)O Z149157470 [1,1,0,0,0,0|2,0,0]=4 495 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O Z446011606 [1,1,0,0,0,0|0,0,0]=2 496 B13R1.418 COC(CC1=CC=CC=C1)C(=O)N Z2233706113 [1,1,0,0,0,0|2,0,0]=4 497 B13R1.418 COC(CC1=CC=CC=C1)C(=O)O Z1258977185 [1,1,0,0,0,0|1,0,0]=3 498 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O Z1258578382 [1,1,0,0,0,0|0,0,0]=2 499 B13R1.418 NCC(CC1=CC=NC=C1)C(=O)O Z2382197013 [1,1,0,0,0,0|1,0,0]=3 500 B13R1.418 NCC(CC1=CN=CC=C1)C(=O)O Z1601464443 [1,1,0,0,0,0|1,0,0]=3 501 B13R1.418 NCC(CC1=NC=CC=C1)C(=O)O Z1259273372 [1,1,0,0,0,0|1,0,0]=3 502 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O Z995179618 [1,1,0,0,0,0|1,0,0]=3 503 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)O Z274535156 [1,1,0,0,0,0|2,0,0]=4 504 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O Z640389616 [1,1,0,0,0,0|2,0,0]=4 505 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O Z2680629352 [1,1,0,0,0,0|0,0,0]=2 506 B13R1.1073 CC(N)(CC1=CC=NC=C1)C(=O)O Z1251361035 [1,1,0,0,0,0|1,0,0]=3 507 B13R1.1073 CC(N)(CC1=NC=CC=C1)C(=O)O Z4830335089 [1,1,0,0,0,0|1,0,0]=3 508 B13R1.1073 CC(O)(CC1=CC=CC=C1)C(=O)O Z1079110682 [1,1,0,0,0,0|1,0,0]=3 509 B13R1.1073 C[C@@](O)(CC1=CC=CC=C1)C(=O)O Z1198165765 [1,1,0,0,0,0|1,0,0]=3 510 B13R1.1073 C[C@](O)(CC1=CC=CC=C1)C(=O)O Z1198165764 [1,1,0,0,0,0|1,0,0]=3 511 B13R1.1073 O=C(O)C(F)(F)OC1=CC=CC=C1 Z445134424 [1,1,0,0,0,0|2,0,0]=4 512 B13R1.21 NC(CO)C(O)C1=CC=C(C=C1)Cl Z2670838766 [1,1,0,0,0,0|0,1,1]=4 513 B13R1.145 NCC(CO)CC1=CC=C(C=C1)Br Z1860991556 [1,1,0,0,0,0|0,1,1]=4 514 B13R1.145 NCC(CO)CC1=CC=C(C=C1)Cl Z1324055647 [1,1,0,0,0,0|0,1,1]=4 515 B13R1.145 NCC(CO)CC1=CC=C(C=C1)F Z285055048 [1,1,0,0,0,0|0,1,1]=4 516 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)Br Z2732858926 [1,1,0,0,0,0|0,1,1]=4 517 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)Cl Z2738738577 [1,1,0,0,0,0|0,1,1]=4 518 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)F Z2732860433 [1,1,0,0,0,0|0,1,1]=4 519 B13R1.249 CC1=CC=C(C=C1)CC(C)(N)CO Z5060721709 [1,1,0,0,0,0|1,0,1]=4 520 B13R1.2879 CC1=C(C=C(C=C1)CC(N)CO)C Z2255081939 [1,1,0,0,0,0|1,0,1]=4 521 B13R1.36 CC(C(=O)O)C1=CC=C(C=C1)C=O Z1198177006 [0,1,0,0,1,0|2,0,0]=4 522 B13R1.36 CCC1=CC=C(C=C1)C(C)C(=O)O Z792377226 [0,1,0,0,1,0|2,0,0]=4 523 B13R1.36 CCC1=CC=C(C=C1)C(N)C(=O)O Z317024600 [0,1,0,0,1,0|1,0,0]=3 524 B13R1.36 COC1=CC=C(C=C1)C(C)C(=O)O Z792377298 [0,1,0,0,1,0|2,0,0]=4 525 B13R1.36 COC1=CC=C(C=C1)C(N)C(=O)O Z56755722 [0,1,0,0,1,0|1,0,0]=3 526 B13R1.36 N#CC1=CC=C(C=C1)C(O)C(=O)O Z1262556648 [0,1,0,0,1,0|2,0,0]=4 527 B13R1.36 NC(C(=O)O)C1=CC=C(C=C1)CO Z2510296391 [0,1,0,0,1,0|1,0,0]=3 528 B13R1.163 CC(C(=O)O)C1=C(C=C(C=C1)Br)F Z1558353210 [0,1,0,0,1,0|1,1,0]=4 529 B13R1.163 CC(C(=O)O)C1=C(C=C(C=C1)F)F Z792377188 [0,1,0,0,1,0|1,1,0]=4 530 B13R1.163 CC1=C(C=CC(=C1)F)C(O)C(=O)O Z959357232 [0,1,0,0,1,0|1,1,0]=4 531 B13R1.163 NC(C(=O)O)C1=C(C=C(C=C1)Cl)Cl Z317024702 [0,1,0,0,1,0|0,1,0]=3 532 B13R1.163 NC(C(=O)O)C1=C(C=C(C=C1)F)F Z317024642 [0,1,0,0,1,0|0,1,0]=3 533 B13R1.163 O=C(O)C(O)C1=C(C=C(C=C1)Cl)F Z1269228399 [0,1,0,0,1,0|1,1,0]=4 534 B13R1.510 CC(C(=O)O)C1=CC(=C(C=C1)Cl)Cl Z992423142 [0,1,0,0,1,0|1,1,0]=4 535 B13R1.510 CC(C(=O)O)C1=CC(=C(C=C1)F)F Z792377186 [0,1,0,0,1,0|1,1,0]=4 536 B13R1.510 CC1=C(C=C(C=C1)C(C)C(=O)O)Br Z1813162631 [0,1,0,0,1,0|2,0,0]=4 537 B13R1.510 CC1=C(C=CC(=C1)C(C)C(=O)O)Br Z1813181647 [0,1,0,0,1,0|1,1,0]=4 538 B13R1.510 CC1=C(C=CC(=C1)C(N)C(=O)O)Cl Z1198640890 [0,1,0,0,1,0|0,1,0]=3 539 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)Cl)Cl Z317024644 [0,1,0,0,1,0|0,1,0]=3 540 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)Cl)F Z1696091766 [0,1,0,0,1,0|0,1,0]=3 541 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)F)Cl Z1269179754 [0,1,0,0,1,0|0,1,0]=3 542 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)Cl)Br Z1269204407 [0,1,0,0,1,0|1,1,0]=4 543 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)Cl)Cl Z788000702 [0,1,0,0,1,0|1,1,0]=4 544 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)Cl)F Z838972312 [0,1,0,0,1,0|1,1,0]=4 545 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)F)Cl Z1269153543 [0,1,0,0,1,0|1,1,0]=4 546 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)F)F Z788000624 [0,1,0,0,1,0|1,1,0]=4 547 B13R1.522 CC(C)(C(=O)O)C1=CC=C(C=C1)Br Z415660212 [0,1,0,0,1,0|1,1,0]=4 548 B13R1.522 CC(C)(C(=O)O)C1=CC=C(C=C1)Cl Z606339610 [0,1,0,0,1,0|1,1,0]=4 549 B13R1.522 CC(C)(C(=O)O)C1=CC=C(C=C1)F Z725146444 [0,1,0,0,1,0|1,1,0]=4 550 B13R1.522 CC(C)(C(=O)O)C1=CC=C(C=C1)N Z1235993363 [0,1,0,0,1,0|2,0,0]=4 551 B13R1.522 CC(C)(C(=O)O)C1=CC=C(C=C1)O Z1258981351 [0,1,0,0,1,0|2,0,0]=4 552 B13R1.522 CC(N)(C(=O)O)C1=CC=C(C=C1)Br Z317024914 [0,1,0,0,1,0|0,1,0]=3 553 B13R1.522 CC(N)(C(=O)O)C1=CC=C(C=C1)Cl Z317024852 [0,1,0,0,1,0|0,1,0]=3 554 B13R1.522 CC(N)(C(=O)O)C1=CC=C(C=C1)F Z317024742 [0,1,0,0,1,0|0,1,0]=3 555 B13R1.522 CC(N)(C(=O)O)C1=CC=C(C=C1)O Z1255523384 [0,1,0,0,1,0|1,0,0]=3 556 B13R1.522 CC(O)(C(=O)O)C1=CC=C(C=C1)Cl Z788000388 [0,1,0,0,1,0|1,1,0]=4 557 B13R1.522 CC(O)(C(=O)O)C1=CC=C(C=C1)F Z788000970 [0,1,0,0,1,0|1,1,0]=4 558 B13R1.522 CC1=CC=C(C=C1)C(C)(C)C(=O)O Z725146466 [0,1,0,0,1,0|2,0,0]=4 559 B13R1.522 O=C(O)C(F)(F)C1=CC=C(C=C1)Cl Z335859722 [0,1,0,0,1,0|1,1,0]=4 560 B13R1.522 O=C(O)C(F)(F)C1=CC=C(C=C1)F Z335859720 [0,1,0,0,1,0|1,1,0]=4 561 B13R1.706 CCC(C(=O)O)C1=CC=C(C=C1)Cl Z982129852 [0,1,0,0,1,0|1,1,0]=4 562 B13R1.706 CCC(C(=O)O)C1=CC=C(C=C1)F Z792377316 [0,1,0,0,1,0|1,1,0]=4 563 B13R1.706 CNC(C(=O)N)C1=CC=C(C=C1)Cl Z450953536 [0,1,0,0,1,0|1,1,0]=4 564 B13R1.706 CNC(C(=O)O)C1=CC=C(C=C1)F Z446011670 [0,1,0,0,1,0|0,1,0]=3 565 B13R1.706 COC(C(=O)O)C1=CC=C(C=C1)O Z1262556696 [0,1,0,0,1,0|2,0,0]=4 566 B13R1.706 NCC(C(=O)O)C1=CC=C(C=C1)Cl Z3244719959 [0,1,0,0,1,0|0,1,0]=3 567 B13R1.706 NCC(C(=O)O)C1=CC=C(C=C1)F Z3244719948 [0,1,0,0,1,0|0,1,0]=3 568 B13R1.706 O=C(O)C(CO)C1=CC=C(C=C1)Cl Z1508925263 [0,1,0,0,1,0|1,1,0]=4 569 B13R1.3481 NC(CC1=C(SC(=C1)Br)Br)C(=O)O Z3481837686 [0,1,0,0,1,0|1,1,0]=4 570 B13R1.3481 NC(CC1=C(SC(=C1)Cl)Cl)C(=O)O Z3337481030 [0,1,0,0,1,0|1,1,0]=4 571 B15R1.881 CC(CC(=O)C1=CC=C(C=C1)Cl)C(=O)O Z838957314 [0,1,0,0,0,1|1,1,0]=4 572 B15R1.881 CC(CC(=O)C1=CC=C(C=C1)F)C(=O)O Z838957184 [0,1,0,0,0,1|1,1,0]=4 573 B15R1.881 CC(CN(C)C1=NC=C(C=C1)I)C(=O)O Z2358779803 [0,1,0,0,0,1|2,0,0]=4 574 B15R1.884 C=C(COC1=CC(=C(C=C1)I)Cl)C(=O)O Z5316253552 [0,1,0,0,0,1|1,0,1]=4 575 B15R1.5823 CC(NCC1=C(C=C(C=C1)Cl)Cl)C(=O)O Z426041640 [0,1,0,0,0,1|1,1,0]=4 576 B15R1.11347 CC(N)(CCC1=CC=C(C=C1)O)C(=O)O Z317024894 [0,1,0,0,0,1|1,0,0]=3 577 B15R1.8426 CC1=CC(=C(C=C1)CC(N)CC(=O)O)C Z4133752091 [0,1,0,0,0,1|1,0,0]=3 578 B15R1.11336 CC(C)(CC(=O)O)CC1=CC=C(C=C1)Cl Z1434171914 [0,1,0,0,0,1|1,1,0]=4 579 B15R1.16 CCOC1=CC=C(C=C1)CC(C)C(=O)O Z1341747564 [0,2,0,0,0,0|2,0,0]=4 580 B15R1.208 N#CC1=CC=C(C=C1)CC(C#N)C(=O)O Z1508981521 [0,2,0,0,0,0|1,0,1]=4 581 B15R1.216 CC(C)(CC1=CC=C(C=C1)C#N)C(=O)O Z1509049564 [0,2,0,0,0,0|2,0,0]=4 582 B15R1.216 CC(C)(CC1=CC=C(C=C1)CN)C(=O)O Z3302127020 [0,2,0,0,0,0|2,0,0]=4 583 B15R1.495 O=C(O)C(F)CC1=CC=C(C=C1)[N+](=O)[O-] Z4445654961 [0,2,0,0,0,0|2,0,0]=4 584 B15R1.3777 COC1=C(C=C(C=C1)CC(C)C(=O)O)F Z756390470 [0,2,0,0,0,0|2,0,0]=4 585 B15R1.11315 CC(C)(C(=O)O)C(O)C1=CC=C(C=C1)O Z982140488 [0,2,0,0,0,0|2,0,0]=4 586 B15R1.48 CCOC(=O)C(Br)CC1=CC=C(C=C1)Cl Z56780628 [0,2,0,0,0,0|1,1,0]=4 587 B15R1.48 CCOC(=O)C(C)CC1=CC=C(C=C1)C Z1612330704 [0,2,0,0,0,0|2,0,0]=4 588 B15R1.48 CCOC(=O)C(N)CC1=CC=C(C=C1)C Z1966570879 [0,2,0,0,0,0|1,0,0]=3 589 B15R1.1373 CNC(=O)C(CN)CC1=CC=C(C=C1)C Z5443633832 [0,2,0,0,0,0|2,0,0]=4 590 B15R1.1373 COC(=O)C(CN)CC1=CC=C(C=C1)C Z1263820339 [0,2,0,0,0,0|1,0,0]=3 591 B15R1.1373 COC(=O)C(CN)CC1=CC=C(C=C1)Cl Z3644443669 [0,2,0,0,0,0|0,1,0]=3 592 B15R1.1373 COC(=O)C(CN)CC1=CC=C(C=C1)F Z823287442 [0,2,0,0,0,0|0,1,0]=3 593 B15R1.1373 COC(=O)C(CN)CC1=CC=C(C=C1)O Z1263714096 [0,2,0,0,0,0|1,0,0]=3 594 B15R1.1373 COC(=O)C(CN)OC1=CC=C(C=C1)Br Z2028214381 [0,2,0,0,0,0|1,1,0]=4 595 B15R1.1373 COC(=O)C(CN)OC1=CC=C(C=C1)F Z1820178622 [0,2,0,0,0,0|1,1,0]=4 596 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)F)Cl Z5087129302 [0,2,0,0,0,0|0,1,0]=3 597 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)O)F Z3073888196 [0,2,0,0,0,0|1,0,0]=3 598 B15R1.11652 COC(=O)C(C)(Br)CC1=CC=C(C=C1)Br Z56801390 [0,2,0,0,0,0|1,1,0]=4 599 B15R1.1295 COCC(CC1=CC=C(C=C1)Cl)C(=O)O Z1627074970 [0,2,0,0,0,0|1,1,0]=4 600 B15R1.10050 CC1=C(C=CC(=C1)F)CC(CN)C(=O)O Z2739890401 [0,2,0,0,0,0|0,1,0]=3 601 B15R1.4038 COC1=C(C=CC(=C1)CC(N)C(=O)O)O Z3212891663 [0,2,0,0,0,0|1,0,0]=3 602 B15R1.8408 CC1=C(C=CC(=C1O)O)CC(N)C(=O)O Z2327040070 [0,2,0,0,0,0|1,0,0]=3 603 B15R1.11316 CC1=C(C=CC(=C1)CC(C)(C)C(=O)O)Br Z2165882431 [0,2,0,0,0,0|1,1,0]=4 604 B15R1.11316 C[C@@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O Z1508927176 [0,2,0,0,0,0|1,0,0]=3 605 B15R1.11316 C[C@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O Z1508915075 [0,2,0,0,0,0|1,0,0]=3 606 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O Z1509614134 [0,2,0,0,0,0|1,0,0]=3 607 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O Z1509519863 [0,2,0,0,0,0|1,0,0]=3 608 B15R1.3552 CC1=CC(=C(C(=C1)C)CC(N)C(=O)O)C Z2211231166 [0,2,0,0,0,0|1,0,0]=3 609 B13R2.147 CC1=CC=C(C=C1)C2CC(=O)N2 Z1238837490 [1,0,0,1,0,0|2,0,0]=4 610 B13R2.147 O=C1CC(C1)C2=CC=C(C=C2)Br Z385459408 [1,0,0,1,0,0|1,1,0]=4 611 B13R2.147 O=C1CC(C1)C2=CC=C(C=C2)F Z444338412 [1,0,0,1,0,0|1,1,0]=4 612 B13R2.147 O=C1CC(N1)C2=CC=C(C=C2)Br Z1238837631 [1,0,0,1,0,0|1,1,0]=4 613 B13R2.147 O=C1CC(N1)C2=CC=C(C=C2)Cl Z1198168152 [1,0,0,1,0,0|1,1,0]=4 614 B13R2.155 CC1=CC2=C(C=C1)CCC(=O)N2 Z1255357756 [1,0,0,1,0,0|2,0,0]=4 615 B13R2.155 O=C1CCC2=C(N1)C=C(C=C2)Br Z1262475341 [1,0,0,1,0,0|1,1,0]=4 616 B13R2.155 O=C1CCC2=C(N1)C=C(C=C2)Cl Z1198183609 [1,0,0,1,0,0|1,1,0]=4 617 B13R2.155 O=C1CCC2=C(N1)C=C(C=C2)F Z285201176 [1,0,0,1,0,0|1,1,0]=4 618 B13R2.155 O=C1CCC2=C(N1)C=C(C=C2)O Z1255450792 [1,0,0,1,0,0|2,0,0]=4 619 B13R2.155 O=C1NCC2=C(O1)C=C(C=C2)Br Z2751295691 [1,0,0,1,0,0|1,1,0]=4 620 B13R2.155 O=C1NCC2=C(O1)C=C(C=C2)O Z2963142130 [1,0,0,1,0,0|2,0,0]=4 621 B13R2.4930 CC1=CC2=C(C=C1)CC2C(=O)O Z2719072266 [1,0,0,1,0,0|1,0,0]=3 622 B13R2.4930 O=C(O)C1CC2=C1C=C(C=C2)Cl Z1262559583 [1,0,0,1,0,0|0,1,0]=3 623 B13R2.369 CN1CC2=C(C=CC=C2)OC1=O Z1862014448 [1,0,0,1,0,0|2,0,0]=4 624 B13R2.369 NC1CC2=C(C=CC=C2)NC1=O Z2692093571 [1,0,0,1,0,0|1,0,0]=3 625 B13R2.369 NC1CC2=C(C=CN=C2)NC1=O Z2786036033 [1,0,0,1,0,0|2,0,0]=4 626 B13R2.369 NC1CC2=C(N=CC=C2)NC1=O Z2787257522 [1,0,0,1,0,0|2,0,0]=4 627 B13R2.373 CC1C(=O)CC1C2=CC=CC=C2 Z1436543792 [1,0,0,1,0,0|2,0,0]=4 628 B13R2.373 CC1C(=O)NC1C2=CC=CC=C2 Z1267861070 [1,0,0,1,0,0|2,0,0]=4 629 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 Z1198162290 [1,0,0,1,0,0|1,0,0]=3 630 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2235584851 [1,0,0,1,0,0|1,0,0]=3 631 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=NC=C2 Z2379204261 [1,0,0,1,0,0|2,0,0]=4 632 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CN=CC=C2 Z2242045438 [1,0,0,1,0,0|2,0,0]=4 633 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=NC=CC=C2 Z3070727223 [1,0,0,1,0,0|2,0,0]=4 634 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 Z1235967724 [1,0,0,1,0,0|1,0,0]=3 635 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 Z1262510970 [1,0,0,1,0,0|1,0,0]=3 636 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 Z57931417 [1,0,0,1,0,0|1,0,1]=4 637 B13R2.435 NC(=O)C1CC2=C(N1)C=CC=C2 Z1255399804 [1,0,0,1,0,0|1,0,0]=3 638 B13R2.435 NC(=O)C1CC2=C(O1)C=CC=C2 Z116821856 [1,0,0,1,0,0|2,0,0]=4 639 B13R2.435 NC(=O)[C@@H]1CC2=C(N1)C=CC=C2 Z760046840 [1,0,0,1,0,0|1,0,0]=3 640 B13R2.435 O=C(O)C1=CC2=C(C1)C=CC=C2 Z1255423596 [1,0,0,1,0,0|1,0,1]=4 641 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=C2 Z56347139 [1,0,0,1,0,0|0,0,2]=4 642 B13R2.435 O=C(O)C1=NC2=C(N1)C=CC=C2 Z274592454 [1,0,0,1,0,0|1,0,1]=4 643 B13R2.435 O=C(O)C1CC2=C(C1)C=CC=C2 Z607808530 [1,0,0,1,0,0|1,0,0]=3 644 B13R2.435 O=C(O)C1CC2=C(C1)C=NC=C2 Z2213893333 [1,0,0,1,0,0|2,0,0]=4 645 B13R2.435 O=C(O)C1CC2=C(C1)N=CC=C2 Z1262528380 [1,0,0,1,0,0|2,0,0]=4 646 B13R2.435 O=C(O)C1CC2=C(N1)C=CC=C2 Z343211224 [1,0,0,1,0,0|0,0,0]=2 647 B13R2.435 O=C(O)C1CC2=C(O1)C=CC=C2 Z104377952 [1,0,0,1,0,0|1,0,0]=3 648 B13R2.435 O=C(O)C1CC2=C(S1)C=CC=C2 Z221583708 [1,0,0,1,0,0|1,0,0]=3 649 B13R2.435 O=C(O)[C@@H]1CC2=C(N1)C=CC=C2 Z335079490 [1,0,0,1,0,0|0,0,0]=2 650 B13R2.42 O=CC1CC1C2=CC=C(C=C2)F Z1255463273 [1,0,0,1,0,0|1,1,0]=4 651 B13R2.42 O=C[C@@H]1C[C@H]1C2=CC=C(C=C2)F Z2307166680 [1,0,0,1,0,0|1,1,0]=4 652 B13R2.3028 CC1=CC2=C(C=C1)CC(C2=O)C Z1255467363 [1,0,0,1,0,0|2,0,0]=4 653 B13R2.3028 CC1CC2=C(C1=O)C=C(C=C2)F Z1201617604 [1,0,0,1,0,0|1,1,0]=4 654 B13R2.5190 NC1C(=O)NC2=C1C=CC(=C2)Br Z4198432889 [0,0,0,1,1,0|1,1,0]=4 655 B13R2.5190 NC1C(=O)NC2=C1C=CC(=C2)Cl Z3868711859 [0,0,0,1,1,0|1,1,0]=4 656 B13R2.5190 NC1C(=O)NC2=C1C=CC(=C2)F Z2768189190 [0,0,0,1,1,0|1,1,0]=4 657 B15R2.6972 O=C(O)C1CC(C1)C2=CC=C(C=C2)Br Z1147605089 [0,0,0,1,0,1|1,1,0]=4 658 B15R2.6972 O=C(O)C1CC(C1)C2=CC=C(C=C2)Cl Z1147604988 [0,0,0,1,0,1|1,1,0]=4 659 B15R2.6972 O=C(O)C1CC(C1)C2=CC=C(C=C2)F Z970074272 [0,0,0,1,0,1|1,1,0]=4 660 B15R2.6972 O=C(O)C1CC(C1)C2=CC=C(C=C2)O Z1783223342 [0,0,0,1,0,1|2,0,0]=4 661 B15R2.7174 O=C(O)C1CCC2=C(O1)C=C(C=C2)Br Z1269203030 [0,0,0,1,0,1|1,1,0]=4 662 B15R2.7174 O=C(O)C1CCC2=C(O1)C=C(C=C2)F Z1198276223 [0,0,0,1,0,1|1,1,0]=4 663 B15R2.7174 O=C(O)C1COC2=C(C1)C=C(C=C2)Cl Z108565168 [0,0,0,1,0,1|1,1,0]=4 664 B15R2.7174 O=C(O)C1COC2=C(C1)C=C(C=C2)F Z1198276104 [0,0,0,1,0,1|1,1,0]=4 665 B15R2.7174 O=C(O)C1COC2=C(O1)C=C(C=C2)Br Z1862025525 [0,0,0,1,0,1|1,1,0]=4 666 B15R2.7174 O=C(O)C1COC2=C(O1)C=C(C=C2)Cl Z1508942364 [0,0,0,1,0,1|1,1,0]=4 667 B15R2.7174 O=C(O)C1COC2=C(O1)C=C(C=C2)O Z1262515346 [0,0,0,1,0,1|2,0,0]=4 668 B15R2.98 O=C1N[C@@H](CO1)CC2=CC=C(C=C2)O Z220564166 [0,0,0,1,0,1|2,0,0]=4 669 B15R2.7252 O=C(O)CC1CC2=C(C1)C=C(C=C2)Br Z1813175279 [0,0,0,1,0,1|1,1,0]=4 670 B15R2.451 COC1=CC=C(C=C1)[C@@H]2C[C@H]2C(=O)O Z2242045543 [0,1,0,1,0,0|2,0,0]=4 671 B15R2.451 N#CC1=CC=C(C=C1)[C@@H]2C[C@H]2C(=O)O Z2327124579 [0,1,0,1,0,0|2,0,0]=4 672 B15R2.4834 COC1=NC2=C(C=C1)CC(N2)C(=O)O Z3267908929 [0,1,0,1,0,0|2,0,0]=4 673 B15R2.1590 COC(=O)C1CC2=C(O1)C=C(C=C2)O Z1514016009 [0,1,0,1,0,0|2,0,0]=4 674 B15R2.1590 COC(=O)C1CC2=C(S1)C=C(C=C2)C Z293379218 [0,1,0,1,0,0|2,0,0]=4 675 B15R2.6979 O=C(O)C1(CC1)CC2=CC=C(C=C2)F Z1251353616 [0,1,0,1,0,0|1,1,0]=4 676 B15R2.6979 O=C(O)C1(CC1)CC2=CC=C(C=C2)O Z1376887402 [0,1,0,1,0,0|2,0,0]=4 677 B15R2.7180 O=C(O)C1COC2=C(C1)C=CC(=C2)Cl Z1862025524 [0,1,0,1,0,0|1,1,0]=4 678 B15R2.7180 O=C(O)C1COC2=C(C1)C=CC(=C2)O Z235363157 [0,1,0,1,0,0|2,0,0]=4 679 B15R2.7180 O=C(O)[C@H]1CC2=C(C=C(C=C2)O)CN1 Z1198151614 [0,1,0,1,0,0|1,0,0]=3 680 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]=3 681 B15R2.1102 CC1=C(C=C2OC(CC2=C1)C(=O)O)C Z1262250016 [0,1,0,1,0,0|2,0,0]=4 682 B15R2.18974 CC1=C(C=C(C=C1)[C@@H]2C[C@H]2C(=O)O)Br Z3271457256 [0,1,0,1,0,0|2,0,0]=4 683 B15R2.18974 CC1=C(C=C(C=C1)[C@@H]2C[C@H]2C(=O)O)C Z2242045493 [0,1,0,1,0,0|2,0,0]=4 684 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)Br)Br Z3410034983 [0,1,0,1,0,0|1,1,0]=4 685 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)Br Z3019995727 [0,1,0,1,0,0|1,1,0]=4 686 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)Cl Z2242045590 [0,1,0,1,0,0|1,1,0]=4 687 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)F)F Z2307311644 [0,1,0,1,0,0|1,1,0]=4 688 B15R2.42559 NC1(CC2=C(C1)C=C(C=C2)Br)C(=O)O Z2651685348 [0,1,0,1,0,0|0,1,0]=3 689 B15R2.42559 NC1(CC2=C(C1)C=C(C=C2)Cl)C(=O)O Z1446142472 [0,1,0,1,0,0|0,1,0]=3 690 B15R2.65825 CC1=CC(=C(C=C1)[C@@H]2C[C@H]2C(=O)O)Br Z3019995716 [0,1,0,1,0,0|2,0,0]=4 691 B15R2.65825 O=C(O)C1CC1C2=C(C=C(C=C2)Cl)Cl Z450468438 [0,1,0,1,0,0|1,1,0]=4 692 B15R2.65825 O=C(O)[C@@H]1C[C@H]1C2=C(C=C(C=C2)Br)Cl Z3019995715 [0,1,0,1,0,0|1,1,0]=4 693 B15R2.65825 O=C(O)[C@@H]1C[C@H]1C2=C(C=C(C=C2)Br)F Z3001662717 [0,1,0,1,0,0|1,1,0]=4 694 B15R2.65825 O=C(O)[C@@H]1C[C@H]1C2=C(C=C(C=C2)F)F Z2939182232 [0,1,0,1,0,0|1,1,0]=4 695 B11R1.75 CC1=CC=C(O1)CCC(=O)O Z57248456 [1,0,0,0,1,0|2,0,0]=4 696 B11R1.75 CC1=CC=C(S1)CCC(=O)O Z381359992 [1,0,0,0,1,0|2,0,0]=4 697 B11R1.75 CN1C=CC(=C1)CCC(=O)O Z1262521199 [1,0,0,0,1,0|2,0,0]=4 698 B11R1.75 O=C(O)CCC1=CC(=CS1)Br Z381359988 [1,0,0,0,1,0|1,1,0]=4 699 B11R1.75 O=C(O)CCC1=CC(=CS1)Cl Z234898661 [1,0,0,0,1,0|1,1,0]=4 700 B11R1.75 O=C(O)CCC1=CC=C(S1)Cl Z381359990 [1,0,0,0,1,0|1,1,0]=4 701 B11R1.35 CC(CC1=CC=CS1)C(=O)O Z756390536 [1,0,0,0,1,0|2,0,0]=4 702 B11R1.35 NC(CC1=CC=CN1)C(=O)O Z1065645554 [1,0,0,0,1,0|1,0,0]=3 703 B11R1.35 NC(CC1=CC=CO1)C(=O)O Z317025794 [1,0,0,0,1,0|1,0,0]=3 704 B11R1.35 NC(CC1=CC=NO1)C(=O)O Z2429425584 [1,0,0,0,1,0|2,0,0]=4 705 B11R1.35 NC(CC1=CN=CS1)C(=O)O Z2753010848 [1,0,0,0,1,0|2,0,0]=4 706 B11R1.35 NC(CC1=CNC=N1)C(=O)O Z1259162152 [1,0,0,0,1,0|2,0,0]=4 707 B11R1.35 NC(CC1=COC=C1)C(=O)O Z3839442137 [1,0,0,0,1,0|1,0,0]=3 708 B11R1.35 NC(CC1=COC=N1)C(=O)O Z3377962909 [1,0,0,0,1,0|2,0,0]=4 709 B11R1.35 NC(CC1=CSC=C1)C(=O)O Z3251695259 [1,0,0,0,1,0|1,0,0]=3 710 B11R1.35 NC(CC1=CSC=N1)C(=O)O Z3355847058 [1,0,0,0,1,0|2,0,0]=4 711 B11R1.35 NC(CC1=NNC=C1)C(=O)O Z2503042485 [1,0,0,0,1,0|2,0,0]=4 712 B11R1.35 NC(CN1C=CC=N1)C(=O)O Z2933867195 [1,0,0,0,1,0|2,0,0]=4 713 B11R1.35 NC(CN1C=CN=C1)C(=O)O Z2310727968 [1,0,0,0,1,0|2,0,0]=4 714 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O Z359369984 [1,0,0,0,1,0|2,0,0]=4 715 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O Z1079168982 [1,0,0,0,1,0|2,0,0]=4 716 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 Z1201618094 [1,0,0,0,1,0|1,0,1]=4 717 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 Z1255383314 [1,0,0,0,1,0|2,0,0]=4 718 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Z3234810419 [1,0,0,0,1,0|1,0,0]=3 719 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 Z1255506457 [1,0,0,0,1,0|2,0,0]=4 720 B11R1.36 CC(C(=O)O)C1=CN=CC=C1 Z792377268 [1,0,0,0,1,0|2,0,0]=4 721 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Z2588063686 [1,0,0,0,1,0|1,0,1]=4 722 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 Z5462337230 [1,0,0,0,1,0|2,0,0]=4 723 B11R1.36 C[C@H](C(=O)O)C1=CN=CC=C1 Z5462556304 [1,0,0,0,1,0|2,0,0]=4 724 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 Z57069256 [1,0,0,0,1,0|2,0,0]=4 725 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 Z57204607 [1,0,0,0,1,0|1,0,0]=3 726 B11R1.36 NC(=O)C(N)C1=NC=CC=C1 Z1251358507 [1,0,0,0,1,0|2,0,0]=4 727 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 Z147647142 [1,0,0,0,1,0|0,0,0]=2 728 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 Z815264186 [1,0,0,0,1,0|1,0,0]=3 729 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 Z278101784 [1,0,0,0,1,0|0,0,0]=2 730 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 Z957336528 [1,0,0,0,1,0|0,0,0]=2 731 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 Z381360894 [1,0,0,0,1,0|1,0,1]=4 732 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 Z104495824 [1,0,0,0,1,0|1,0,0]=3 733 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 Z1203161992 [1,0,0,0,1,0|1,0,0]=3 734 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 Z104473974 [1,0,0,0,1,0|1,0,0]=3 735 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 Z808230894 [1,0,0,0,1,0|1,0,0]=3 736 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 Z1201618616 [1,0,0,0,1,0|1,0,0]=3 737 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 Z1255390767 [1,0,0,0,1,0|1,0,0]=3 738 B11R1.22 CC(C=O)C1=CC=C(C=C1)Br Z1269114153 [1,0,0,0,1,0|1,1,0]=4 739 B11R1.22 CC(C=O)C1=CC=C(C=C1)Cl Z1198334992 [1,0,0,0,1,0|1,1,0]=4 740 B11R1.22 CC(C=O)C1=CC=C(C=C1)F Z1255400140 [1,0,0,0,1,0|1,1,0]=4 741 B11R1.22 CC1=CC=C(C=C1)C(C)C=O Z1198150045 [1,0,0,0,1,0|2,0,0]=4 742 B11R1.22 CC1=CC=C(C=C1)C(N)CO Z5087131901 [1,0,0,0,1,0|1,0,1]=4 743 B11R1.22 NC(CO)C1=CC=C(C=C1)Br Z2188171600 [1,0,0,0,1,0|0,1,1]=4 744 B11R1.22 NC(CO)C1=CC=C(C=C1)F Z1268152327 [1,0,0,0,1,0|0,1,1]=4 745 B13R1.513 CC1=CC=C(C=C1)/C=C/CC(=O)O Z1374884612 [1,0,0,0,0,1|1,0,1]=4 746 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O Z336127890 [1,0,0,0,0,1|1,0,0]=3 747 B13R1.513 CC1=CC=C(C=C1)CNCC(=O)O Z359506420 [1,0,0,0,0,1|1,0,0]=3 748 B13R1.513 CC1=CC=C(C=C1)COCC(=O)O Z2630879936 [1,0,0,0,0,1|1,0,0]=3 749 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)N Z33545794 [1,0,0,0,0,1|2,0,0]=4 750 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)O Z19691181 [1,0,0,0,0,1|1,0,0]=3 751 B13R1.513 CC1=CC=C(C=C1)NCCC(=O)O Z56886521 [1,0,0,0,0,1|1,0,0]=3 752 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)N Z33545286 [1,0,0,0,0,1|2,0,0]=4 753 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)O Z56805738 [1,0,0,0,0,1|1,0,0]=3 754 B13R1.513 CC1=CC=C(C=C1)SCCC(=O)O Z56813260 [1,0,0,0,0,1|1,0,0]=3 755 B13R1.513 CC1=CN=C(C=C1)NCCC(=O)O Z295404834 [1,0,0,0,0,1|2,0,0]=4 756 B13R1.513 NC(=O)CCNC1=CC=C(C=C1)F Z155153962 [1,0,0,0,0,1|1,1,0]=4 757 B13R1.513 NC(=O)CCNC1=CC=C(C=C1)N Z1263714152 [1,0,0,0,0,1|2,0,0]=4 758 B13R1.513 NC(=O)CCOC1=CC=C(C=C1)N Z382711140 [1,0,0,0,0,1|2,0,0]=4 759 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)Cl Z33545287 [1,0,0,0,0,1|1,1,0]=4 760 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)F Z33545610 [1,0,0,0,0,1|1,1,0]=4 761 B13R1.513 NC(=O)CNCC1=CC=C(C=C1)Br Z90608485 [1,0,0,0,0,1|1,1,0]=4 762 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)Br Z19854475 [1,0,0,0,0,1|1,1,0]=4 763 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)Cl Z18433099 [1,0,0,0,0,1|1,1,0]=4 764 B13R1.513 NC1=CC=C(C=C1)CCCC(=O)O Z336079594 [1,0,0,0,0,1|1,0,0]=3 765 B13R1.513 NC1=CC=C(C=C1)OCCC(=O)O Z1259335771 [1,0,0,0,0,1|1,0,0]=3 766 B13R1.513 O=C(O)C/C=C/C1=CC=C(C=C1)Br Z2939850891 [1,0,0,0,0,1|0,1,1]=4 767 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br Z336286028 [1,0,0,0,0,1|0,1,0]=3 768 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl Z336286026 [1,0,0,0,0,1|0,1,0]=3 769 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)F Z336285992 [1,0,0,0,0,1|0,1,0]=3 770 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)O Z1201617656 [1,0,0,0,0,1|1,0,0]=3 771 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Br Z240085156 [1,0,0,0,0,1|0,1,0]=3 772 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Cl Z57229608 [1,0,0,0,0,1|0,1,0]=3 773 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)F Z240085178 [1,0,0,0,0,1|0,1,0]=3 774 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Br Z102925164 [1,0,0,0,0,1|0,1,0]=3 775 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl Z56812813 [1,0,0,0,0,1|0,1,0]=3 776 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)F Z90123554 [1,0,0,0,0,1|0,1,0]=3 777 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)Cl Z1259339984 [1,0,0,0,0,1|0,1,0]=3 778 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)F Z818727022 [1,0,0,0,0,1|0,1,0]=3 779 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Br Z19691780 [1,0,0,0,0,1|0,1,0]=3 780 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Cl Z19691775 [1,0,0,0,0,1|0,1,0]=3 781 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)F Z19691787 [1,0,0,0,0,1|0,1,0]=3 782 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 Z1259040954 [1,0,0,0,0,1|2,0,0]=4 783 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [1,0,0,0,0,1|0,0,0]=2 784 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [1,0,0,0,0,1|1,0,0]=3 785 B13R1.351 C=C(COC1=CC=CC=C1)C(=O)O Z1197868054 [1,0,0,0,0,1|1,0,1]=4 786 B13R1.351 CC(/C=C/C1=CC=CC=C1)C(=O)O Z3241898772 [1,0,0,0,0,1|1,0,1]=4 787 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 Z906195336 [1,0,0,0,0,1|2,0,0]=4 788 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O Z425469932 [1,0,0,0,0,1|1,0,0]=3 789 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O Z431541708 [1,0,0,0,0,1|1,0,0]=3 790 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O Z426041612 [1,0,0,0,0,1|1,0,0]=3 791 B13R1.351 CC(NCC1=CN=CC=C1)C(=O)O Z440613690 [1,0,0,0,0,1|2,0,0]=4 792 B13R1.351 CC(NCC1=NC=CC=C1)C(=O)O Z1270255478 [1,0,0,0,0,1|2,0,0]=4 793 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)N Z394696218 [1,0,0,0,0,1|2,0,0]=4 794 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O Z316258798 [1,0,0,0,0,1|1,0,0]=3 795 B13R1.351 CC(OCC1=CC=NC=C1)C(=O)O Z2235681270 [1,0,0,0,0,1|2,0,0]=4 796 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Z18753939 [1,0,0,0,0,1|1,0,0]=3 797 B13R1.351 C[C@H](NCC1=NC=CC=C1)C(=O)O Z5717815294 [1,0,0,0,0,1|2,0,0]=4 798 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O Z1255498772 [1,0,0,0,0,1|1,0,0]=3 799 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O Z317025074 [1,0,0,0,0,1|0,0,0]=2 800 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O Z3004510439 [1,0,0,0,0,1|1,0,0]=3 801 B13R1.351 NC(CCC1=NC=CC=C1)C(=O)O Z2310672466 [1,0,0,0,0,1|1,0,0]=3 802 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O Z1255434715 [1,0,0,0,0,1|0,0,0]=2 803 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O Z1255399095 [1,0,0,0,0,1|0,0,0]=2 804 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 Z1201620725 [1,0,0,0,0,1|1,0,1]=4 805 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 Z1259340035 [1,0,0,0,0,1|1,0,0]=3 806 B15R1.870 CC(CCC1=CC=C(C=C1)Br)CC(=O)O Z1041181754 [0,0,0,0,0,2|1,1,0]=4 807 B15R1.870 CC(CCC1=CC=C(C=C1)I)CC(=O)O Z1041181746 [0,0,0,0,0,2|1,0,0]=3