0 B9R0.39 CC[C@H](NC(C)=O)C(=O)O 73327 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O C75133 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [1,0,0,0,0,0|1,1,1]=4 3 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.23 C=C(C)C[C@H](N)C(=O)O FD21883 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.23 CC(=O)O[C@@H](C)C(=O)O T70471 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.23 CC(=O)O[C@@H](C)C(C)=O H10680 [1,0,0,0,0,0|2,0,0]=3 7 B10R0.23 CC(=O)N[C@@H](CCO)C(=O)O 50526 [0,1,0,0,0,0|0,1,0]=2 8 B10R0.23 CCC[C@@H](CC(C)=O)C(=O)O A11194 [0,1,0,0,0,0|2,0,0]=3 9 B10R0.23 CNC[C@H](NC(C)=O)C(=O)O C71673 [0,1,0,0,0,0|1,0,0]=2 10 B10R0.53 NCC(=O)N[C@@H](CO)C(=O)O A12804 [0,1,0,0,0,0|0,1,0]=2 11 B10R0.54 COC(=O)[C@H](CS)NC(C)=O A12833 [0,1,0,0,0,0|0,0,0]=1 12 B10R1.64 CC(=O)O[C@H]1CCNC1=O W17926 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.113 CC1CCCC(C(=O)O)N1 CL3106 [0,0,0,1,0,0|2,0,1]=4 14 B10R1.113 O=C1C=CC[C@H](C(=O)O)C1 F18279 [0,0,0,1,0,0|2,0,1]=4 15 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96696 [0,0,0,1,0,0|2,0,0]=3 16 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96697 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 F30241 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 F13748 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.359 O=C(O)[C@@H]1CCS(=O)(=O)N1 60300 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.361 O=C(O)C1CCC1C(=O)O 78193 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O P15779 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.442 CC(=O)NC1(C(=O)O)CC1 C13103 [0,0,0,1,0,0|1,0,0]=2 23 B8R0.18 CC(C)[C@H](CN)C(=O)O 32008 [0,0,0,0,1,0|2,0,1]=4 24 B8R0.18 CC(C)[C@H](CN)C(=O)O 32570 [0,0,0,0,1,0|2,0,1]=4 25 B8R0.18 CC(C)[C@H](CN)C(=O)O 32574 [0,0,0,0,1,0|2,0,1]=4 26 B8R0.18 CC(C)[C@H](CN)C(=O)O F15099 [0,0,0,0,1,0|2,0,1]=4 27 B7R0.5 C[C@H](NC=O)C(=O)O FD21046 [2,0,0,0,0,0|0,0,0]=2 28 B7R0.15 CC[C@H](NC)C(=O)O W18322 [2,0,0,0,0,0|1,0,0]=3 29 B7R0.15 CC[C@H](OC)C(=O)O AC6372 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.15 CN[C@@H](CO)C(=O)O F11106 [2,0,0,0,0,0|0,1,0]=3 31 B7R0.6 CC(C)=CCC(=O)O 24307 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.6 O=C(O)CCC(=O)O D85169 [2,0,0,0,0,0|2,0,0]=4 33 B9R0.11 CC(=O)NC(C)(C)C(=O)O W18578 [1,1,0,0,0,0|0,0,0]=2 34 B9R0.42 COC(=O)C[C@H](C)C(=O)O C76592 [1,1,0,0,0,0|1,0,0]=3 35 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O T70135 [1,1,0,0,0,0|0,0,0]=2 36 B9R0.57 C[C@H](OS(C)(=O)=O)C(=O)O D94816 [1,1,0,0,0,0|2,0,0]=4 37 B11R0.39 COC(=O)[C@H](CCBr)OC(C)=O 32669 [0,2,0,0,0,0|2,0,0]=4 38 B11R0.115 CC[C@@H](C)[C@H](NC(C)=O)C(=O)O 31279 [0,2,0,0,0,0|1,0,0]=3 39 B11R0.56 CCOC(=O)[C@H](CS)NC(C)=O F31243 [0,2,0,0,0,0|0,0,0]=2 40 B11R0.234 CC(=O)N[C@H](C(=O)O)C(C)(C)C D86250 [0,2,0,0,0,0|1,0,0]=3 41 B11R0.234 CC(=O)N[C@H](C(=O)O)C(C)(C)S P18093 [0,2,0,0,0,0|0,0,0]=2 42 B9R1.6 O=C(O)[C@@H]1CNCCN1 P16892 [1,0,0,1,0,0|1,0,1]=4 43 B9R1.6 O=C(O)[C@@H]1COCCN1 24948 [1,0,0,1,0,0|0,1,1]=4 44 B9R1.6 O=C(O)[C@@H]1COCCN1 70235 [1,0,0,1,0,0|0,1,1]=4 45 B9R1.6 O=C(O)[C@@H]1COCCN1 70713 [1,0,0,1,0,0|0,1,1]=4 46 B9R1.6 O=C(O)[C@@H]1CSCCN1 66696 [1,0,0,1,0,0|0,0,1]=3 47 B9R1.6 O=C(O)[C@@H]1CSCCN1 77693 [1,0,0,1,0,0|0,0,1]=3 48 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [1,0,0,1,0,0|1,0,1]=4 49 B9R1.35 CC1=N[C@H](C(=O)[O-])CS1 D97542 [1,0,0,1,0,0|0,0,2]=4 50 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 D96519 [1,0,0,1,0,0|1,0,1]=4 51 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 64802 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 F10334 [1,0,0,1,0,0|1,0,1]=4 53 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P11664 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 W16754 [1,0,0,1,0,0|1,0,0]=3 55 B9R1.35 O=C1N[C@H](C(=O)O)CO1 AT13924 [1,0,0,1,0,0|0,1,0]=3 56 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O 35596 [1,0,0,1,0,0|0,1,1]=4 57 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O 89327 [1,0,0,1,0,0|0,1,1]=4 58 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14663 [1,0,0,1,0,0|0,1,1]=4 59 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P15465 [1,0,0,1,0,0|0,1,1]=4 60 B9R1.96 CCN1CC[C@H]1C(=O)O P15973 [1,0,0,1,0,0|1,0,1]=4 61 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.2 O=C1COC[C@H](CO)N1 O11304 [1,0,0,1,0,0|0,1,1]=4 63 B9R1.67 CC(=O)O[C@H]1CCC1=O P20079 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.152 C=C1CC(C)(C(=O)O)C1 83775 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.152 CC1(C(=O)O)CC(=O)C1 38840 [1,0,0,1,0,0|1,0,0]=3 66 B9R1.161 NC(=O)C1CC1C(=O)O P15335 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O I10810 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O P15610 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O P15780 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.168 CC(=O)C1(C(C)=O)CC1 75120 [0,0,0,1,1,0|2,0,0]=4 71 B11R1.565 O=C1CCC[C@H](C(=O)O)CC1 64810 [0,0,0,1,0,1|2,0,0]=4 72 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 D75798 [0,1,0,1,0,0|1,1,0]=4 73 B11R1.167 CC(C)[C@@H]1NC(=O)CNC1=O F16419 [0,1,0,1,0,0|2,0,0]=4 74 B11R1.870 COC(=O)C1CCC1C(=O)O P18466 [0,1,0,1,0,0|2,0,0]=4 75 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O 55055 [0,1,0,1,0,0|2,0,0]=4 76 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O 37911 [0,1,0,1,0,0|2,0,0]=4 77 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O AT10515 [0,1,0,1,0,0|2,0,0]=4 78 B11R1.1493 COC(=O)NC1(C(=O)O)CC1 93837 [0,1,0,1,0,0|1,0,0]=3 79 B11R1.23 COC(=O)[C@@H]1CCCC(=O)N1 72112 [0,1,0,1,0,0|1,0,0]=3 80 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 74958 [0,1,0,1,0,0|1,0,0]=3 81 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 74999 [0,1,0,1,0,0|1,0,0]=3 82 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 76678 [0,1,0,1,0,0|1,0,0]=3 83 B7R0.16 CC(=O)C(N)C(C)=O F17513 [1,0,0,0,1,0|2,0,0]=4 84 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [1,0,0,0,1,0|1,0,1]=4 85 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [1,0,0,0,1,0|1,0,1]=4 86 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [1,0,0,0,1,0|2,0,0]=4 87 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [1,0,0,0,1,0|2,0,0]=4 88 B7R0.16 O=C(O)C(F)C(=O)O A51197 [1,0,0,0,1,0|2,0,0]=4 89 B7R0.16 O=C(O)C(O)C(=O)O H10518 [1,0,0,0,1,0|1,1,0]=4 90 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50434 [1,0,0,0,0,1|2,0,0]=4 91 B9R0.7 C[C@H](NCC(=O)O)C(=O)O S10702 [1,0,0,0,0,1|1,0,0]=3