0 B12R0.138 CC(=O)SCC(C(=O)O)CC(=O)O 1P019ZZT [0,0,0,0,0,0|4,0,0]=4 1 B12R0.138 CC(=O)SC[C@@H](C(=O)O)NC(=O)C 1P00ACFW [0,0,0,0,0,0|3,0,0]=3 2 B12R0.138 CC(CC(C(=O)O)CCC(=O)O)C 1P01A03A [0,0,0,0,0,0|3,0,1]=4 3 B12R0.138 CC(CCC(C(=O)O)NC(=O)C)C 1P01B62C [0,0,0,0,0,0|3,0,1]=4 4 B12R0.138 CN(CCC(C(=O)O)NC(=O)C)C 1P01EKOO [0,0,0,0,0,0|4,0,0]=4 5 B12R0.138 CS(=O)CC[C@@H](C(=O)O)NC(=O)C 1P008TNN [0,0,0,0,0,0|3,0,0]=3 6 B12R0.138 NC(=N)N[C@H](C(=O)O)CCC(=O)O 1P003CUA [0,0,0,0,0,0|1,0,0]=1 7 B12R0.138 NC(=O)CCC(C(=O)O)NC(=O)C 1P01AA7D [0,0,0,0,0,0|2,0,0]=2 8 B12R0.138 NC(=O)CC[C@@H](C(=O)O)NC(=O)C 1P002Q9I [0,0,0,0,0,0|2,0,0]=2 9 B12R0.138 OC(=O)CCC(C(=O)O)CC(=O)O 1P00GTCD [0,0,0,0,0,0|2,0,0]=2 10 B12R0.138 OC(=O)CCC(C(=O)O)NC(=O)C 1P00IATE [0,0,0,0,0,0|1,0,0]=1 11 B12R0.138 OC(=O)CCC(C(=O)O)NC(=O)N 1P00C77I [0,0,0,0,0,0|0,0,0]=0 12 B12R0.138 OC(=O)CC[C@@H](C(=O)O)NC(=O)C 1P00819Y [0,0,0,0,0,0|1,0,0]=1 13 B12R0.138 OC(=O)CC[C@@H](C(=O)O)NC(=O)N 1P0038MW [0,0,0,0,0,0|0,0,0]=0 14 B12R0.138 OC(=O)CC[C@H](C(=O)O)NC(=O)C 1P002FPJ [0,0,0,0,0,0|1,0,0]=1 15 B12R0.138 OC(=O)CSC(C(=O)O)CC(=O)O 1P006O28 [0,0,0,0,0,0|3,0,0]=3 16 B12R0.138 OC(=O)C\C=C(\C(=O)O)/CC(=O)O 1P01HEWJ [0,0,0,0,0,0|2,0,2]=4 17 B11R0.146 CCN[C@H](C(=O)O)CCC(=O)N 1P0031U9 [1,0,0,0,0,0|2,0,1]=4 18 B11R0.160 CC(=O)N[C@H](C(=O)O)CCCN 1P00EGE5 [1,0,0,0,0,0|2,0,1]=4 19 B11R0.160 CCCCC(C(=O)O)NC(=O)C 1P003T5G [1,0,0,0,0,0|2,0,1]=4 20 B11R0.160 CCCCC(C(=O)O)NC(=O)N 1P00DJKL [1,0,0,0,0,0|1,0,1]=3 21 B11R0.160 CCCC[C@@H](C(=O)O)NC(=O)C 1P001RHG [1,0,0,0,0,0|2,0,1]=4 22 B11R0.160 CCCC[C@H](C(=O)O)NC(=O)C 1P00DBEW [1,0,0,0,0,0|2,0,1]=4 23 B11R0.160 COCCC(C(=O)O)NC(=O)C 1P01A93T [1,0,0,0,0,0|3,0,0]=4 24 B11R0.160 CSCCC(C(=O)N)NC(=O)N 1P01IE5Z [1,0,0,0,0,0|3,0,0]=4 25 B11R0.160 CSCCC(C(=O)O)NC(=O)C 1P003T5F [1,0,0,0,0,0|3,0,0]=4 26 B11R0.160 CSCC[C@@H](C(=O)O)NC(=O)C 1P00IBWF [1,0,0,0,0,0|3,0,0]=4 27 B11R0.160 CSCC[C@@H](C(=O)O)NC(=O)N 1P0030HO [1,0,0,0,0,0|2,0,0]=3 28 B11R0.160 CSCC[C@H](C(=O)O)NC(=O)C 1P001NEM [1,0,0,0,0,0|3,0,0]=4 29 B13R0.253 COC(=O)C(CC(=O)O)CCC(=O)O 1P01FPYS [0,1,0,0,0,0|2,0,0]=3 30 B13R0.253 COC(=O)[C@@H](NC(=O)C)CCC(=O)O 1P00AQED [0,1,0,0,0,0|1,0,0]=2 31 B13R0.253 COC(=O)[C@@H](NC(=O)C)CSC(=O)C 1P0035SF [0,1,0,0,0,0|3,0,0]=4 32 B13R0.256 NCC(=O)N[C@@H](C(=O)O)CCC(=O)N 1P008VD1 [0,1,0,0,0,0|1,0,0]=2 33 B13R0.256 NCC(=O)N[C@H](C(=O)O)CCC(=O)N 1P000W3N [0,1,0,0,0,0|1,0,0]=2 34 B13R0.256 NCC(=O)N[C@H](C(=O)O)CCC(=O)N 1P009B58 [0,1,0,0,0,0|1,0,0]=2 35 B13R0.256 NCC(=O)N[C@H](C(=O)O)CCC(=O)O 1P003R9K [0,1,0,0,0,0|0,0,0]=1 36 B13R0.256 NCC(=O)N[C@H](C(=O)O)CCC(=O)O 1P028JDA [0,1,0,0,0,0|0,0,0]=1 37 B13R0.1418 OC(=O)CCC(C(=O)O)CP(=O)(O)O 1P00AL7W [0,1,0,0,0,0|3,0,0]=4 38 B13R1.126 O=C1NC(C=C(N1)C(=O)O)C(=O)O 1P028CR7 [0,0,0,1,0,0|0,0,2]=3 39 B13R1.138 NC(=O)CN1CC(CC1=O)C(=O)O 1P019ZHT [0,0,0,1,0,0|3,0,0]=4 40 B13R1.165 O=C1CC[C@H]([C@H](C1)C(=O)O)C(=O)O 1P027WYN [0,0,0,1,0,0|3,0,0]=4 41 B13R1.893 NC(=O)CC[C@@H]1NC(=O)CNC1=O 1P00386U [0,0,0,1,0,0|3,0,0]=4 42 B13R1.893 OC(=O)CC[C@@H]1NC(=O)CNC1=O 1P001URI [0,0,0,1,0,0|2,0,0]=3 43 B13R1.893 OC(=O)CCn1[nH]c(=O)ccc1=O 1P00DG2M [0,0,0,1,0,0|3,0,0]=4 44 B13R1.5889 OC(=O)CC1(CCC(=O)O1)C(=O)O 1P00GVA0 [0,0,0,1,0,0|2,0,0]=3 45 B11R0.28 CC(=O)CCC(C(=O)C)C(=O)C 1P002Y6V [0,0,0,0,1,0|3,0,0]=4 46 B11R0.28 NC(=O)CCC(C(=O)O)C(=O)O 1P01XCXD [0,0,0,0,1,0|2,0,0]=3 47 B11R0.28 OC(=O)CCC(C(=O)O)C(C)C 1P01HEGM [0,0,0,0,1,0|2,0,1]=4 48 B11R0.28 OC(=O)CC[C@H](C(=O)O)N(C)C 1P00EVJG [0,0,0,0,1,0|3,0,0]=4 49 B11R0.32 CC(=C)CC(C(=O)O)NC(=O)C 1P00H1DR [0,0,0,0,1,0|3,0,0]=4 50 B11R0.32 CC(=C)C[C@@H](C(=O)O)NC(=O)C 1P004D73 [0,0,0,0,1,0|3,0,0]=4 51 B11R0.32 CC(CC(C(=O)O)NC(=O)N)C 1P00C0EH [0,0,0,0,1,0|2,0,1]=4 52 B11R0.32 CC(C[C@@H](C(=O)O)NC(=O)N)C 1P002S74 [0,0,0,0,1,0|2,0,1]=4 53 B11R0.32 CC(NC(C(=O)O)CC(=O)O)C 1P01JLXF [0,0,0,0,1,0|2,0,1]=4 54 B11R0.32 NC(=N)N[C@H](C(=O)O)CC(=O)O 1P0035G1 [0,0,0,0,1,0|1,0,0]=2 55 B11R0.32 NC(=O)C[C@H](C(=O)O)NC(=O)C 1P00I5FQ [0,0,0,0,1,0|2,0,0]=3 56 B11R0.32 OC(=O)C(CC(=O)O)CC(=O)O 1P006PUM [0,0,0,0,1,0|2,0,0]=3 57 B11R0.32 OC(=O)C(NC(=O)N)NC(=O)N 1P00IKO4 [0,0,0,0,1,0|2,0,0]=3 58 B11R0.32 OC(=O)CC(=CC(=O)O)C(=O)O 1P00DC5J [0,0,0,0,1,0|2,0,1]=4 59 B11R0.32 OC(=O)CC(C(=O)O)NC(=O)C 1P003T5E [0,0,0,0,1,0|1,0,0]=2 60 B11R0.32 OC(=O)CC(C(=O)O)NC(=O)N 1P0067YA [0,0,0,0,1,0|0,0,0]=1 61 B11R0.32 OC(=O)C[C@@H](C(=O)N)NC(=O)C 1P00EH76 [0,0,0,0,1,0|2,0,0]=3 62 B11R0.32 OC(=O)C[C@@H](C(=O)O)NC(=O)C 1P0036Q0 [0,0,0,0,1,0|1,0,0]=2 63 B11R0.32 OC(=O)C[C@@H](C(=O)O)NC(=O)N 1P009CJD [0,0,0,0,1,0|0,0,0]=1 64 B11R0.32 OC(=O)C\C(=C/C(=O)O)\C(=O)O 1P003VFC [0,0,0,0,1,0|2,0,1]=4 65 B11R0.32 OC(=O)C\C(=C\C(=O)O)\C(=O)O 1P003PGH [0,0,0,0,1,0|2,0,1]=4 66 B13R0.53 OC(=O)C(CCC(=O)O)CCC(=O)O 1P003DWY [0,0,0,0,0,1|2,0,0]=3 67 B13R0.177 OC(=O)CCN(CC(=O)O)CC(=O)O 1P003SPK [0,0,0,0,0,1|3,0,0]=4 68 B13R0.443 OC(=O)CCNC(C(=O)O)CC(=O)O 1P01BDQL [0,0,0,0,0,1|2,0,0]=3 69 B13R0.443 OC(=O)CSC[C@@H](C(=O)O)NC(=O)C 1P007MUX [0,0,0,0,0,1|1,0,0]=2 70 B10R0.84 CNC(C(=O)O)CCC(=O)O 1P003TO8 [2,0,0,0,0,0|0,0,1]=3 71 B10R0.84 CN[C@H](C(=O)O)CCC(=O)O 1P006FBP [2,0,0,0,0,0|0,0,1]=3 72 B10R0.88 CCCC[C@@H](C(=O)O)NC=O 1P007NWM [2,0,0,0,0,0|1,0,1]=4 73 B10R0.88 CSCCC(C(=O)O)NC=O 1P00DBF7 [2,0,0,0,0,0|2,0,0]=4 74 B10R0.88 CSCC[C@@H](C(=O)O)NC=O 1P003TI7 [2,0,0,0,0,0|2,0,0]=4 75 B10R0.23 CC(=O)NC(C(=O)O)CC=C 1P00DGJ8 [2,0,0,0,0,0|1,0,1]=4 76 B10R0.23 CC(=O)NC(C(=O)O)CCS 1P00E68J [2,0,0,0,0,0|1,1,0]=4 77 B10R0.23 CCCC(C(=O)O)NC(=O)C 1P003T5H [2,0,0,0,0,0|1,0,1]=4 78 B10R0.23 CCCC(C(=O)O)NC(=O)N 1P019Y5K [2,0,0,0,0,0|0,0,1]=3 79 B10R0.23 CCC[C@@H](C(=O)O)NC(=O)C 1P001RHF [2,0,0,0,0,0|1,0,1]=4 80 B10R0.23 CCC[C@H](C(=O)O)NC(=O)C 1P003O2R [2,0,0,0,0,0|1,0,1]=4 81 B10R0.23 CCC[C@H](C(=O)O)NC(=O)N 1P00BSG2 [2,0,0,0,0,0|0,0,1]=3 82 B10R0.23 NC(=O)C(NC(=O)N)CCS 1P028QAF [2,0,0,0,0,0|1,1,0]=4 83 B12R0.120 CC(=O)N[C@H](C(=O)O)CSCC=C 1P002MPU [1,1,0,0,0,0|2,0,0]=4 84 B12R0.129 CCCC[C@@H](C(=O)O)NC(=O)CN 1P001N1N [1,1,0,0,0,0|1,0,1]=4 85 B12R0.146 COC(=O)CCC(C(=O)C)C(=O)C 1P001C7M [0,1,0,0,1,0|2,0,0]=4 86 B12R0.339 OC(=O)[C@H](CC(C(=O)O)C(=O)O)N 1P00DCDW [0,1,0,0,1,0|1,0,0]=3 87 B12R0.43 OC(=O)CC(C(C(=O)O)O)C(=O)O 1P001USX [0,1,0,0,1,0|2,0,0]=4 88 B12R0.180 COC(=O)[C@@H](NC(=O)C)CC(=O)O 1P00DAAQ [0,1,0,0,1,0|1,0,0]=3 89 B12R0.694 OC(=O)C(CC(=O)O)(CC(=O)O)O 1P001J7Y [0,1,0,0,1,0|2,0,0]=4 90 B12R0.694 OC(=O)C(CC(=O)O)(CC(=O)O)O 1P0039HV [0,1,0,0,1,0|2,0,0]=4 91 B12R0.694 OC(=O)C(CC(=O)O)(CC(=O)O)O 1P00IC8J [0,1,0,0,1,0|2,0,0]=4 92 B12R0.694 OC(=O)CC(C(=O)O)(CC(=O)O)O 1P009AT7 [0,1,0,0,1,0|2,0,0]=4 93 B12R0.694 [O-]C(=O)CC(C(=O)O)(CC(=O)O)O 1P0025C0 [0,1,0,0,1,0|2,0,0]=4 94 B12R0.694 [O-]C(=O)CC(C(=O)O)(CC(=O)O)O 1P002EO4 [0,1,0,0,1,0|2,0,0]=4 95 B12R0.694 [O-]C(=O)CC(C(=O)O)(CC(=O)O)O 1P01BV52 [0,1,0,0,1,0|2,0,0]=4 96 B12R1.861 OC(=O)CCC1NC(=O)NC1=O 1P00DD45 [1,0,0,1,0,0|0,0,0]=2 97 B12R1.861 OC(=O)CC[C@@H]1NC(=O)NC1=O 1P00J36S [1,0,0,1,0,0|0,0,0]=2 98 B12R1.498 ClC(=O)[C@@H]1CCC(=O)N1C(=O)C 1P0085GE [1,0,0,1,0,0|2,0,0]=4 99 B12R1.498 OC(=O)[C@H]1CCC(=O)N1C(=O)C 1P0289H2 [1,0,0,1,0,0|1,0,0]=3 100 B12R1.895 OC(=O)CCC1C(=NNC1=O)C 1P00BE05 [0,0,0,1,1,0|2,0,0]=4 101 B12R1.895 OC(=O)CCC1C(=NOC1=O)C 1P019M0I [0,0,0,1,1,0|1,0,1]=4 102 B12R1.127 OC(=O)CC1NC(=O)CNC1=O 1P028AEO [0,0,0,1,1,0|2,0,0]=4 103 B12R1.850 O=C1CC(C(C1)C(=O)O)C(=O)O 1P0034LB [0,0,0,1,1,0|2,0,0]=4 104 B12R1.850 O=C1CC(C(O1)C(=O)O)C(=O)O 1P003QAK [0,0,0,1,1,0|2,0,0]=4 105 B12R1.850 O=C1C[C@H]([C@@H](C1)C(=O)O)C(=O)O 1P0221L8 [0,0,0,1,1,0|2,0,0]=4 106 B12R1.850 OC(=O)c1[nH]c(=O)[nH]c1C(=O)O 1P01DX2D [0,0,0,1,1,0|0,0,2]=4 107 B12R1.1383 OC(=O)C1[C@@H]([C@H]1C(=O)O)C(=O)O 1P00FDJ0 [0,0,0,1,1,0|2,0,0]=4 108 B14R1.6036 C[C@@H]1NC(=O)[C@@H](NC1=O)CCC(=O)O 1P001URH [0,1,0,1,0,0|2,0,0]=4 109 B10R0.162 OC(=O)CC(C(=O)O)C(=O)O 1P006LS6 [0,0,0,0,2,0|1,0,0]=3 110 B12R0.41 NC(=O)CN(CC(=O)O)CC(=O)O 1P002SVF [0,0,0,0,1,1|2,0,0]=4 111 B12R0.41 OC(=O)CC(CC(=O)O)CC(=O)O 1P00EQHL [0,0,0,0,1,1|2,0,0]=4 112 B14R0.2681 NC(=N)NCCCC(C(=O)O)NC(=O)N 1P028I23 [0,0,0,0,0,2|2,0,0]=4 113 B14R0.2681 NC(=N)NCCC[C@@H](C(=O)O)NC(=O)N 1P001R0Y [0,0,0,0,0,2|2,0,0]=4