0 B14R1.686 CC(CC1=CC(=C(C=C1)F)Br)C(=O)O Z756390562 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.686 CC(CC1=CC(=C(C=C1)F)F)C(=O)O Z1341747667 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.686 CC(CC1=CC(=C(C=C1)O)O)C(=O)O Z1198162859 [0,0,0,0,0,0|2,0,1]=3 3 B14R1.686 CC1=C(C=C(C=C1)CC(N)C(=O)O)C Z2238618571 [0,0,0,0,0,0|3,0,0]=3 4 B14R1.686 CC1=C(C=C(C=C1)CC(S)C(=O)O)C Z57982188 [0,0,0,0,0,0|4,0,0]=4 5 B14R1.686 NC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)O Z317025744 [0,0,0,0,0,0|3,0,0]=3 6 B14R1.686 NC(CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5185412106 [0,0,0,0,0,0|3,0,0]=3 7 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)Br)C(=O)O Z1269188313 [0,0,0,0,0,0|2,0,1]=3 8 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)I)C(=O)O Z1269198907 [0,0,0,0,0,0|2,0,1]=3 9 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z756440064 [0,0,0,0,0,0|1,0,1]=2 10 B14R1.686 N[C@H](CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5212272143 [0,0,0,0,0,0|3,0,0]=3 11 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z1255419382 [0,0,0,0,0,0|1,0,1]=2 12 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)O Z513659390 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O Z513659166 [1,0,0,0,0,0|3,0,0]=4 14 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)O Z513658938 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.133 CC(CC1=CC=C(C=C1)N)C(=O)O Z1262515083 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O Z513658700 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)Cl Z2065464318 [1,0,0,0,0,0|3,0,0]=4 18 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O Z3211890270 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O Z317024982 [1,0,0,0,0,0|2,0,0]=3 20 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O Z57969728 [1,0,0,0,0,0|2,0,0]=3 21 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O Z1263631851 [1,0,0,0,0,0|2,0,0]=3 22 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [1,0,0,0,0,0|1,0,1]=3 23 B13R1.133 NC(CC1=CN=C(C=C1)O)C(=O)O Z3543676837 [1,0,0,0,0,0|2,0,1]=4 24 B13R1.133 NC(CC1=NC=C(C=C1)Cl)C(=O)O Z3499018105 [1,0,0,0,0,0|3,0,0]=4 25 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O Z995228058 [1,0,0,0,0,0|2,0,0]=3 26 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O Z1269142887 [1,0,0,0,0,0|2,0,0]=3 27 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756440046 [1,0,0,0,0,0|1,0,1]=3 28 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O Z995228428 [1,0,0,0,0,0|2,0,0]=3 29 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O Z995228438 [1,0,0,0,0,0|2,0,0]=3 30 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O Z1269112635 [1,0,0,0,0,0|2,0,0]=3 31 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O Z969739284 [1,0,0,0,0,0|1,0,1]=3 32 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)F Z57388220 [1,0,0,0,0,0|3,0,0]=4 33 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)F Z1255373692 [1,0,0,0,0,0|3,0,0]=4 34 B13R1.148 CC(CC1=CC(=CC=C1)Cl)C(=O)O Z513660282 [1,0,0,0,0,0|3,0,0]=4 35 B13R1.148 CC(CC1=CC(=CC=C1)F)C(=O)O Z513660066 [1,0,0,0,0,0|3,0,0]=4 36 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O Z2470414651 [1,0,0,0,0,0|2,0,0]=3 37 B13R1.148 CC1=CC(=CN=C1)CC(N)C(=O)O Z3401637181 [1,0,0,0,0,0|3,0,0]=4 38 B13R1.148 CC1=NC(=CC=C1)CC(N)C(=O)O Z4910394436 [1,0,0,0,0,0|3,0,0]=4 39 B13R1.148 C[N+]1=CC(=CC=C1)CC(N)C(=O)O Z3827376923 [1,0,0,0,0,0|3,0,0]=4 40 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O Z1770192944 [1,0,0,0,0,0|2,0,0]=3 41 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O Z1374884687 [1,0,0,0,0,0|2,0,0]=3 42 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O Z317025828 [1,0,0,0,0,0|1,0,0]=2 43 B13R1.148 NC(CC1=CC(=CN=C1)Br)C(=O)O Z3444795124 [1,0,0,0,0,0|3,0,0]=4 44 B13R1.148 NC(CC1=CC(=CN=C1)Cl)C(=O)O Z3353591955 [1,0,0,0,0,0|3,0,0]=4 45 B13R1.148 NC(CC1=CC(=CN=C1)F)C(=O)O Z3376051877 [1,0,0,0,0,0|3,0,0]=4 46 B13R1.148 NC(CC1=CC(=CN=C1)O)C(=O)O Z3400819408 [1,0,0,0,0,0|2,0,0]=3 47 B13R1.148 NC(CC1=CC(=NC=C1)O)C(=O)O Z3481534727 [1,0,0,0,0,0|2,0,0]=3 48 B13R1.148 NC(CC1=NC(=CC=N1)O)C(=O)O Z3326140144 [1,0,0,0,0,0|3,0,0]=4 49 B13R1.148 NC(CC1=NC=CC(=C1)Cl)C(=O)O Z3780525124 [1,0,0,0,0,0|3,0,0]=4 50 B13R1.148 NC(CC1=NC=NC(=C1)O)C(=O)O Z3531845722 [1,0,0,0,0,0|3,0,0]=4 51 B13R1.148 NC1=CC(=NC=C1)CC(N)C(=O)O Z3400147310 [1,0,0,0,0,0|3,0,0]=4 52 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O Z995228186 [1,0,0,0,0,0|1,0,0]=2 53 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O Z995228562 [1,0,0,0,0,0|1,0,0]=2 54 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)Cl Z1269030667 [1,0,0,0,0,0|3,0,0]=4 55 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C Z445853388 [1,0,0,0,0,0|3,0,0]=4 56 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Cl Z185153284 [1,0,0,0,0,0|3,0,0]=4 57 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)O)Br Z1269176292 [1,0,0,0,0,0|3,0,0]=4 58 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Br)Cl Z57039611 [1,0,0,0,0,0|3,0,0]=4 59 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)Cl Z237515176 [1,0,0,0,0,0|3,0,0]=4 60 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)F Z838969840 [1,0,0,0,0,0|3,0,0]=4 61 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)Cl Z839165388 [1,0,0,0,0,0|2,0,1]=4 62 B15R1.4038 COC1=C(C=CC(=C1)CC(N)C(=O)O)O Z3212891663 [0,1,0,0,0,0|1,0,1]=3 63 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)F)Cl Z5087129302 [0,1,0,0,0,0|3,0,0]=4 64 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)O)F Z3073888196 [0,1,0,0,0,0|2,0,1]=4 65 B15R1.8408 CC1=C(C=CC(=C1O)O)CC(N)C(=O)O Z2327040070 [0,1,0,0,0,0|1,0,1]=3 66 B15R1.11316 C[C@@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O Z1508927176 [0,1,0,0,0,0|1,0,1]=3 67 B15R1.11316 C[C@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O Z1508915075 [0,1,0,0,0,0|1,0,1]=3 68 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O Z1509614134 [0,1,0,0,0,0|2,0,1]=4 69 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O Z1509519863 [0,1,0,0,0,0|2,0,1]=4 70 B13R1.510 CC1=C(C=CC(=C1)C(N)C(=O)O)Cl Z1198640890 [0,0,0,0,1,0|3,0,0]=4 71 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)Cl)Cl Z317024644 [0,0,0,0,1,0|3,0,0]=4 72 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)Cl)F Z1696091766 [0,0,0,0,1,0|3,0,0]=4 73 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)F)Cl Z1269179754 [0,0,0,0,1,0|3,0,0]=4 74 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [2,0,0,0,0,0|2,0,0]=4 75 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [2,0,0,0,0,0|2,0,0]=4 76 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [2,0,0,0,0,0|2,0,0]=4 77 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [2,0,0,0,0,0|2,0,0]=4 78 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [2,0,0,0,0,0|2,0,0]=4 79 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [2,0,0,0,0,0|1,0,1]=4 80 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Z1889997460 [2,0,0,0,0,0|2,0,0]=4 81 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [2,0,0,0,0,0|2,0,0]=4 82 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [2,0,0,0,0,0|2,0,0]=4 83 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [2,0,0,0,0,0|2,0,0]=4 84 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [2,0,0,0,0,0|2,0,0]=4 85 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [2,0,0,0,0,0|2,0,0]=4 86 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [2,0,0,0,0,0|2,0,0]=4 87 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [2,0,0,0,0,0|1,0,0]=3 88 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [2,0,0,0,0,0|2,0,0]=4 89 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [2,0,0,0,0,0|2,0,0]=4 90 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [2,0,0,0,0,0|2,0,0]=4 91 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [2,0,0,0,0,0|1,0,0]=3 92 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [2,0,0,0,0,0|1,0,0]=3 93 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [2,0,0,0,0,0|2,0,0]=4 94 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [2,0,0,0,0,0|2,0,0]=4 95 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [2,0,0,0,0,0|2,0,0]=4 96 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [2,0,0,0,0,0|2,0,0]=4 97 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [2,0,0,0,0,0|2,0,0]=4 98 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [2,0,0,0,0,0|2,0,0]=4 99 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [2,0,0,0,0,0|1,0,0]=3 100 B12R1.226 O=C(O)CCC1=CC(=CN=C1)O Z1504676734 [2,0,0,0,0,0|2,0,0]=4 101 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [2,0,0,0,0,0|2,0,0]=4 102 B14R1.3 CSC1=CC=C(C=C1)CC(N)C(=O)O Z1695906941 [1,1,0,0,0,0|1,1,0]=4 103 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)F Z1511495088 [1,1,0,0,0,0|2,0,0]=4 104 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)O Z57000505 [1,1,0,0,0,0|1,0,1]=4 105 B14R1.536 CC1=CC=C(C=C1)CC(CN)C(=O)O Z1478043848 [1,1,0,0,0,0|2,0,0]=4 106 B14R1.536 NCC(CC1=CC=C(C=C1)Cl)C(=O)O Z1222331429 [1,1,0,0,0,0|2,0,0]=4 107 B14R1.6049 NC(CC1=C(C=C(C=C1)F)F)C(=O)O Z3847441641 [1,1,0,0,0,0|2,0,0]=4 108 B14R1.6049 NC(CN1C=CC(=O)NC1=O)C(=O)O Z1235963691 [1,1,0,0,0,0|1,0,0]=3 109 B14R1.7626 CC(N)(CC1=CC=C(C=C1)Br)C(=O)O Z2786605576 [1,1,0,0,0,0|2,0,0]=4 110 B14R1.7626 CC(N)(CC1=CC=C(C=C1)F)C(=O)O Z2734797269 [1,1,0,0,0,0|2,0,0]=4 111 B14R1.7626 C[C@](N)(CC1=CC=C(C=C1)O)C(=O)O Z1255434943 [1,1,0,0,0,0|1,0,1]=4 112 B14R1.75 COC1=CC(=CC=C1)CC(N)C(=O)O Z317024998 [1,1,0,0,0,0|1,0,0]=3 113 B14R1.75 COC1=CC(=CC=C1)CC(O)C(=O)O Z1255373702 [1,1,0,0,0,0|2,0,0]=4 114 B14R1.135 COC(=O)C(N)CC1=CC(=CC=C1)Br Z3333650468 [1,1,0,0,0,0|2,0,0]=4 115 B14R1.135 COC(=O)C(N)CC1=CC(=CC=C1)Cl Z4790981271 [1,1,0,0,0,0|2,0,0]=4 116 B14R1.542 CC1=CC(=CC=C1)CC(CN)C(=O)O Z1473553886 [1,1,0,0,0,0|2,0,0]=4 117 B14R1.542 NCC(CC1=CC(=CC=C1)Cl)C(=O)O Z1222278653 [1,1,0,0,0,0|2,0,0]=4 118 B14R1.542 NCC(CC1=CC(=CC=C1)O)C(=O)O Z2690874822 [1,1,0,0,0,0|1,0,0]=3 119 B14R1.4257 CC1=CC(=CC(=C1)CC(N)C(=O)O)C Z1259273092 [1,1,0,0,0,0|2,0,0]=4 120 B14R1.4257 NC(CC1=CC(=CC(=C1)Cl)Cl)C(=O)O Z1416200972 [1,1,0,0,0,0|2,0,0]=4 121 B14R1.4257 NC1=CC(=CC(=C1)CC(N)C(=O)O)N Z3282761044 [1,1,0,0,0,0|2,0,0]=4 122 B14R1.4474 NC(CC1=C(C=CC(=C1)Cl)Cl)C(=O)O Z5010675411 [1,1,0,0,0,0|2,0,0]=4 123 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)Cl Z1269146778 [1,1,0,0,0,0|2,0,0]=4 124 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O Z317038020 [1,1,0,0,0,0|1,0,1]=4 125 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)O Z317038026 [1,1,0,0,0,0|1,0,1]=4 126 B14R1.6036 O=C(O)CCN1C=C(C(=O)NC1=O)Br Z1154978059 [1,1,0,0,0,0|2,0,0]=4 127 B16R1.94545 C[C@@](CC1=CC(=C(C=C1)O)O)(NN)C(=O)O Z2301684895 [0,2,0,0,0,0|1,0,1]=4 128 B16R1.4730 COC(=O)C(N)CC1=CC(=C(C=C1)O)OC Z3221821579 [0,2,0,0,0,0|1,0,1]=4 129 B16R1.4970 CCOC(=O)[C@@H](N)CC1=CC(=C(C=C1)O)O Z1691545270 [0,2,0,0,0,0|1,0,1]=4 130 B16R1.4970 CCOC(=O)[C@H](N)CC1=CC(=C(C=C1)O)O Z1642348830 [0,2,0,0,0,0|1,0,1]=4 131 B14R2.4476 O=C(O)C1CC1C2=CC(=CC=C2)O Z1216651566 [1,0,0,1,0,0|2,0,0]=4 132 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC(=CC=C2)O Z1262554401 [1,0,0,1,0,0|2,0,0]=4 133 B16R2.6257 NC(CC1=CC2=C(C=C1)OCO2)C(=O)O Z381429884 [0,1,0,1,0,0|1,0,1]=4 134 B12R1.20 CC1=CC=C(C=C1)C(N)C(=O)O Z317024662 [1,0,0,0,1,0|2,0,0]=4 135 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Br Z317024668 [1,0,0,0,1,0|2,0,0]=4 136 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Cl Z317024646 [1,0,0,0,1,0|2,0,0]=4 137 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)F Z317024670 [1,0,0,0,1,0|2,0,0]=4 138 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O Z1198149764 [1,0,0,0,1,0|1,0,1]=4 139 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)F Z1255390982 [1,0,0,0,1,0|2,0,0]=4 140 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O Z1255364887 [1,0,0,0,1,0|1,0,1]=4 141 B12R1.104 CC1=CN(N=C1)CC(N)C(=O)O Z1737940744 [1,0,0,0,1,0|2,0,0]=4 142 B12R1.104 NC(CN1C=C(C=N1)Br)C(=O)O Z1762658278 [1,0,0,0,1,0|2,0,0]=4 143 B12R1.104 NC(CN1C=C(C=N1)Cl)C(=O)O Z1649677786 [1,0,0,0,1,0|2,0,0]=4 144 B12R1.225 CC1=CC(=CC=C1)C(N)C(=O)O Z317024596 [1,0,0,0,1,0|2,0,0]=4 145 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)Br Z317024672 [1,0,0,0,1,0|2,0,0]=4 146 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)Cl Z317024654 [1,0,0,0,1,0|2,0,0]=4 147 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)F Z317024592 [1,0,0,0,1,0|2,0,0]=4 148 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)I Z3477438782 [1,0,0,0,1,0|2,0,0]=4 149 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)O Z1532541074 [1,0,0,0,1,0|1,0,0]=3 150 B14R1.679 NC(CCC1=CC=C(C=C1)Br)C(=O)O Z4310725393 [1,0,0,0,0,1|2,0,0]=4 151 B14R1.679 NC1=CC=C(C=C1)SCC(N)C(=O)O Z1263568367 [1,0,0,0,0,1|2,0,0]=4 152 B16R1.1037 NC(CCCC1=CC(=C(C=C1)O)O)C(=O)O Z3582628439 [0,0,0,0,0,2|1,0,1]=4