0 B8R0.8 C=CCC[C@H](N)C(=O)O F12088 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.8 C=CCC[C@H](N)C(=O)O F15989 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.8 CN(C)C(=O)CCCCl S12226 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.3 C=CC(=O)NCCC AB9941 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.3 COC(=O)CCCI F19766 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.4 CC(=O)CCCCBr O11558 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 CC(=O)OCCCBr C75766 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.4 CCCOCC(=O)O AC1647 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.4 COCCCC(=O)O 78063 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 NCCNCC(=O)O FD21628 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.5 CCC[C@H](O)C(=O)O 77792 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.5 CCOC(=O)C(=N)N W18562 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.5 CCOC(=O)[C@H](C)O D75729 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.5 CNC[C@H](N)C(=O)O N10392 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.5 COC[C@H](Br)C(=O)O C76037 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.5 NCC[C@H](F)C(=O)O D71941 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.7 CC(C)CNC(=O)C(=O)O W18577 [0,1,0,0,0,0|2,0,0]=3 26 B9R0.13 CCCC[C@H](CC)C(=O)O 86085 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.13 CCCC[C@H](CC)C(=O)O 86086 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.42 COC(=O)CC(=O)C(=O)O 78060 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.47 C=C(C)C(=O)NCCCC AB10367 [0,1,0,0,0,0|3,0,0]=4 30 B9R0.47 C=C(C)C(=O)OCCCO A12375 [0,1,0,0,0,0|3,0,0]=4 31 B9R0.47 C=CCCC[C@H](N)C(=O)O F15996 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.47 CCCCC[C@H](N)C(=O)O C10639 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.47 CCCCC[C@H](N)C(=O)O C75217 [0,1,0,0,0,0|2,0,1]=4 34 B9R0.47 CCSCC[C@H](N)C(=O)O A12005 [0,1,0,0,0,0|2,0,1]=4 35 B9R0.47 NCCCC[C@H](N)C(=O)O F10821 [0,1,0,0,0,0|1,0,1]=3 36 B9R0.47 NCCSC[C@H](N)C(=O)O FD21310 [0,1,0,0,0,0|1,0,1]=3 37 B9R0.47 N[C@@H](CSCCO)C(=O)O AB10207 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.51 C[C@](N)(CCCN)C(=O)O F11646 [0,1,0,0,0,0|1,0,1]=3 39 B9R1.5 CN1CCCNCC1=O 37932 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.5 CN1CCCNCC1=O Y10016 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.5 O=C1CNCCC[C@@H]1F 72994 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.6 NC(=O)[C@H]1CCCNC1 37191 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.6 NC(=O)[C@H]1CCCNC1 64553 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.6 NC(=O)[C@H]1CCCNC1 69862 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.6 O=C(O)C1=CCNCC1 30668 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.6 O=C(O)[C@@H]1CCCCO1 P15808 [0,0,0,1,0,0|1,0,2]=4 47 B9R1.6 O=C(O)[C@@H]1CCCCO1 P16420 [0,0,0,1,0,0|1,0,2]=4 48 B9R1.6 O=C(O)[C@@H]1CNCCN1 P16892 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.6 O=C(O)[C@@H]1CNCCO1 77638 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.6 O=C(O)[C@@H]1CNCCO1 F18966 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.6 O=C(O)[C@@H]1CNCCO1 F19034 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.6 O=C(O)[C@@H]1CNCCS1 F52105 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.23 CN1C[C@@H](CN)CC1=O P10769 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.23 CN1C[C@H](CO)OC1=O 56525 [0,0,0,1,0,0|3,0,0]=4 56 B9R1.23 CN1C[C@H](CO)OC1=O 56533 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.35 CC(=O)N1CC[C@H](N)C1 AT25019 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 D96519 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 W10212 [0,0,0,1,0,0|1,0,2]=4 60 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 BL001270 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 72571 [0,0,0,1,0,0|1,0,1]=3 62 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 D87633 [0,0,0,1,0,0|1,0,1]=3 63 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P13660 [0,0,0,1,0,0|1,0,1]=3 64 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P16415 [0,0,0,1,0,0|1,0,1]=3 65 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BL001269 [0,0,0,1,0,0|2,0,1]=4 66 B9R1.35 O=C(O)C1CCC(O)C1 D70618 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.69 CN1C[C@@H](N)CCC1=O 32330 [0,0,0,1,0,0|3,0,0]=4 68 B9R1.69 CN1C[C@@H](N)CCC1=O 37583 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.95 CCC1CC(C(=O)O)C1 20648 [0,0,0,1,0,0|2,0,1]=4 70 B9R1.95 NCC1CC(C(=O)O)C1 86804 [0,0,0,1,0,0|1,0,1]=3 71 B9R1.95 O=C(O)C1CC(CBr)C1 D79069 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.95 O=C(O)C1CC(CF)C1 D97099 [0,0,0,1,0,0|2,0,1]=4 73 B9R1.95 O=C(O)C1CC(CO)C1 70868 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.110 N[C@H](C(=O)O)C1CCC1 67397 [0,0,0,1,0,0|2,0,1]=4 75 B9R1.110 N[C@H](C(=O)O)C1CCC1 67404 [0,0,0,1,0,0|2,0,1]=4 76 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51303 [0,0,0,1,0,0|2,0,1]=4 77 B9R1.112 N[C@@H](CC1CC1)C(=O)O 67427 [0,0,0,1,0,0|2,0,1]=4 78 B9R1.112 O=C(O)C(=O)NC1CC1 W11568 [0,0,0,1,0,0|2,0,0]=3 79 B9R1.163 CC1(C(=O)O)CCCC1 D78698 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.163 C[C@@]1(C(N)=O)CCCN1 32506 [0,0,0,1,0,0|2,0,1]=4 81 B9R1.163 O=C(O)C1(F)CCCC1 85749 [0,0,0,1,0,0|2,0,1]=4 82 B9R0.4 CC(=O)CC(=O)NCCO A11018 [0,0,0,0,0,1|3,0,0]=4 83 B6R0.1 CCNC(=O)CO 79517 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.1 CNC(=O)CCN C75423 [2,0,0,0,0,0|2,0,0]=4 85 B6R0.4 C=C(C)CCCBr 71968 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.4 CC(=O)CCCBr 25631 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.4 CC(=O)OCCN W11955 [2,0,0,0,0,0|1,0,1]=4 88 B6R0.4 CCOCC(=O)O D73862 [2,0,0,0,0,0|1,0,1]=4 89 B6R0.4 COC=CC(=O)O D97266 [2,0,0,0,0,0|1,0,1]=4 90 B6R0.4 NCCCC(N)=O C72206 [2,0,0,0,0,0|1,0,0]=3 91 B6R0.4 O=C(O)\C=C\CCl 11303 [2,0,0,0,0,0|1,0,1]=4 92 B6R0.3 C=C(CBr)C(=O)O 74879 [2,0,0,0,0,0|2,0,0]=4 93 B6R0.3 CC[C@H](C)C(=O)O 88659 [2,0,0,0,0,0|1,0,1]=4 94 B6R0.3 C[C@@H](CN)C(=O)O F15101 [2,0,0,0,0,0|1,0,1]=4 95 B6R0.3 C[C@@H](CN)C(=O)O F15242 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.3 NC[C@H](F)C(=O)O T73016 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.3 NC[C@H](O)C(=O)O O10173 [2,0,0,0,0,0|0,0,2]=4 98 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [1,1,0,0,0,0|1,0,1]=4 99 B8R0.5 CCC\C(C)=C\C(=O)O A11778 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.7 NCCCCCC(=O)O P19609 [1,1,0,0,0,0|0,0,1]=3 101 B8R0.7 NCCCCCC(N)=O AC6029 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.21 NCCCCP(=O)(O)O C10655 [1,1,0,0,0,0|1,0,1]=4 103 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O FD21836 [1,1,0,0,0,0|1,0,1]=4 104 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O C90303 [1,1,0,0,0,0|0,0,2]=4 105 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [1,1,0,0,0,0|0,0,2]=4 106 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [1,1,0,0,0,0|1,0,1]=4 107 B8R0.23 C=C(CC(C)C)C(C)=O H11904 [1,1,0,0,0,0|2,0,0]=4 108 B8R0.23 CC(=O)C(=O)OC(C)C C11673 [1,1,0,0,0,0|2,0,0]=4 109 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O 41453 [1,1,0,0,0,0|1,0,1]=4 110 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10061 [0,1,0,0,0,1|1,0,1]=4 111 B10R0.18 C#CCCC(=O)CC(=O)OC N11412 [0,1,0,0,0,1|1,0,1]=4 112 B10R0.18 COCCC(=O)CC(=O)OC T72723 [0,1,0,0,0,1|2,0,0]=4 113 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.5 N[C@H]1CCCNC1=O 11355 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.5 N[C@H]1CCCNC1=O 51546 [1,0,0,1,0,0|1,0,1]=4 122 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [1,0,0,1,0,0|1,0,1]=4 123 B8R1.5 O=C1NCCC[C@@H]1O 27231 [1,0,0,1,0,0|0,0,2]=4 124 B8R1.38 COC(=O)[C@@H]1CCN1 38788 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.50 CN1CC[C@H](N)C1=O 51274 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [1,0,0,1,0,0|1,0,1]=4 128 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [1,0,0,1,0,0|0,0,1]=3 130 B8R1.7 O=C(O)[C@@H]1COCN1 A11387 [1,0,0,1,0,0|1,0,1]=4 131 B8R1.7 O=C(O)[C@@H]1COCN1 C73113 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [1,0,0,1,0,0|0,0,1]=3 133 B8R1.43 O=C(O)C1CC1CCl D85971 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.43 O=C(O)[C@H]1C[C@@H]1CCl P19534 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.23 NC1CC(C(=O)O)C1 38020 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [1,0,0,1,0,0|1,0,1]=4 137 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [1,0,0,1,0,0|1,0,1]=4 138 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [1,0,0,1,0,0|1,0,1]=4 139 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [1,0,0,1,0,0|1,0,1]=4 140 B8R1.54 N[C@H](C(=O)O)C1CC1 59339 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.78 O=C(O)C1(O)CCC1 F50565 [1,0,0,1,0,0|0,0,2]=4 142 B10R1.18 O=C(O)C[C@H]1CCCNC1 56293 [0,0,0,1,0,1|1,0,1]=4 143 B10R1.18 O=C(O)C[C@H]1CCCNC1 56295 [0,0,0,1,0,1|1,0,1]=4 144 B10R1.61 CC(=O)N1CCCCC1=O 50302 [0,0,0,1,0,1|2,0,0]=4 145 B10R1.61 O=C([O-])[C@@H]1CCCCC1=O F11699 [0,0,0,1,0,1|1,0,1]=4 146 B10R1.23 NC(C(=O)O)C1CCNC1 67423 [0,1,0,1,0,0|1,0,1]=4 147 B10R1.291 CN1CCC[C@@]1(C)C(=O)O AT11330 [0,1,0,1,0,0|1,0,1]=4 148 B10R1.13 CC1CCC(C(=O)O)CN1 50062 [0,1,0,1,0,0|1,0,1]=4 149 B10R1.13 CC1CCC(C(=O)O)CN1 AT20796 [0,1,0,1,0,0|1,0,1]=4 150 B10R1.13 C[C@@H]1CC=C(C(=O)O)CC1 D79048 [0,1,0,1,0,0|2,0,0]=4 151 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 86119 [0,1,0,1,0,0|1,0,1]=4 152 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 P13549 [0,1,0,1,0,0|1,0,1]=4 153 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P13551 [0,1,0,1,0,0|1,0,1]=4 154 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P20282 [0,1,0,1,0,0|1,0,1]=4 155 B10R1.15 COC(=O)C1=CCCNC1 AC6481 [0,1,0,1,0,0|1,0,1]=4 156 B10R1.15 COC(=O)C1=CNCCC1 P15502 [0,1,0,1,0,0|1,0,0]=3 157 B10R1.15 COC(=O)[C@H]1CCCNC1 P10578 [0,1,0,1,0,0|1,0,1]=4 158 B10R1.169 COC(=O)C1CC(CN)C1 P14518 [0,1,0,1,0,0|1,0,1]=4 159 B10R1.348 O=C(O)[C@H]1CCCCNC1 81143 [0,1,0,1,0,0|1,0,1]=4 160 B10R1.477 CC[C@@]1(C(=O)O)CCCN1 85146 [0,1,0,1,0,0|1,0,1]=4 161 B10R1.113 CN1CCC=C(C(=O)O)C1 O10419 [0,1,0,1,0,0|1,0,1]=4 162 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15822 [0,1,0,1,0,0|1,0,1]=4 163 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15830 [0,1,0,1,0,0|1,0,1]=4 164 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 O10019 [0,1,0,1,0,0|1,0,1]=4 165 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P14630 [0,1,0,1,0,0|1,0,1]=4 166 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P15156 [0,1,0,1,0,0|1,0,1]=4 167 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P18748 [0,1,0,1,0,0|1,0,1]=4 168 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14344 [0,1,0,1,0,0|1,0,1]=4 169 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14570 [0,1,0,1,0,0|1,0,1]=4 170 B10R1.363 C[C@@]1(C(=O)O)COCCN1 89609 [0,1,0,1,0,0|1,0,1]=4 171 B10R1.363 C[C@]1(C(=O)O)CCCNC1 38435 [0,1,0,1,0,0|1,0,1]=4 172 B10R1.363 C[C@]1(C(=O)O)CCCNC1 55571 [0,1,0,1,0,0|1,0,1]=4 173 B10R0.78 CCCCC(=O)NCC(=O)O 81427 [0,0,0,0,0,2|1,0,0]=3 174 B10R0.78 CCCNC(=O)CCC(=O)O W18569 [0,0,0,0,0,2|2,0,0]=4