0 B9R0.39 CCC(C(=O)Cl)CC(=O)Cl 1P003QQQ [0,0,0,0,0,0|4,0,0]=4 1 B9R0.39 CCC(C(=O)O)CC(=O)O 1P003917 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.39 CCC(C(=O)O)CC(C)C 1P0083IU [0,0,0,0,0,0|3,0,1]=4 3 B9R0.39 CCC(C(=O)O)CN(C)C 1P027VHC [0,0,0,0,0,0|4,0,0]=4 4 B9R0.39 CCC(C(=O)O)NC(=O)C 1P003T5D [0,0,0,0,0,0|1,0,0]=1 5 B9R0.39 CCC(C(=O)O)NC(=O)N 1P00DA9X [0,0,0,0,0,0|2,0,0]=2 6 B9R0.39 CCC(C(=O)O)NC(C)C 1P01B202 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.39 CC[C@H](C(=O)O)NC(=O)C 1P00C8CK [0,0,0,0,0,0|1,0,0]=1 8 B9R0.39 CC\C(=C/C(=O)O)\C(=O)O 1P0282XS [0,0,0,0,0,0|3,0,1]=4 9 B9R0.39 CNC(C(=O)O)CC(=O)O 1P00BIDR [0,0,0,0,0,0|4,0,0]=4 10 B9R0.39 CN[C@@H](C(=O)O)CC(=O)O 1P003TNX [0,0,0,0,0,0|4,0,0]=4 11 B9R0.39 CN[C@H](C(=O)O)CC(=O)N 1P0062X5 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.39 CN[C@H](C(=O)O)CC(=O)O 1P0026EU [0,0,0,0,0,0|4,0,0]=4 13 B9R0.39 COC(C(=O)O)CC(=C)C 1P028637 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.39 COC(C(=O)O)CC(=O)O 1P01HCXD [0,0,0,0,0,0|4,0,0]=4 15 B9R0.39 NCC(C(=O)O)CC(=O)O 1P00VW4U [0,0,0,0,0,0|3,0,0]=3 16 B9R0.39 NCC(C(=O)O)CC(C)C 1P01BHB2 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.39 NC[C@@H](C(=O)O)CC(C)C 1P0029LH [0,0,0,0,0,0|3,0,1]=4 18 B9R0.39 NC[C@@H](C(=O)O)CC(C)C 1P009KAI [0,0,0,0,0,0|3,0,1]=4 19 B9R0.39 NC[C@H](C(=O)O)CC(C)C 1P0011CS [0,0,0,0,0,0|3,0,1]=4 20 B9R0.39 NC[C@H](C(=O)O)CC(C)C 1P002L6N [0,0,0,0,0,0|3,0,1]=4 21 B9R0.39 OCC(C(=O)O)NC(=O)C 1P006O7I [0,0,0,0,0,0|0,1,0]=1 22 B9R0.39 OCC(C(=O)O)NC(=O)N 1P019K7Q [0,0,0,0,0,0|1,1,0]=2 23 B9R0.39 OCC(C(=O)O)NC(C)C 1P01BBR4 [0,0,0,0,0,0|1,1,1]=3 24 B9R0.39 OC[C@@H](C(=O)O)NC(=O)C 1P001UOS [0,0,0,0,0,0|0,1,0]=1 25 B9R0.39 SCC(C(=O)O)NC(=O)C 1P0036IX [0,0,0,0,0,0|0,0,0]=0 26 B9R0.39 SC[C@@H](C(=O)N)NC(=O)C 1P0036OZ [0,0,0,0,0,0|1,0,0]=1 27 B9R0.39 SC[C@@H](C(=O)O)NC(=O)C 1P0035SO [0,0,0,0,0,0|0,0,0]=0 28 B9R0.39 SC[C@H](C(=O)O)NC(=O)C 1P002S73 [0,0,0,0,0,0|0,0,0]=0 29 B8R0.15 CCC(C(=O)O)CC=C 1P01NFWM [1,0,0,0,0,0|2,0,1]=4 30 B8R0.15 CCCC(C(=O)O)CC 1P0028M8 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.15 CCCC(C(=O)O)CN 1P009TDK [1,0,0,0,0,0|2,0,1]=4 32 B8R0.15 CCCC(C(=O)O)CN 1P028VGF [1,0,0,0,0,0|2,0,1]=4 33 B8R0.15 CCNC(C(=O)O)CC 1P01FIX6 [1,0,0,0,0,0|1,0,1]=3 34 B8R0.15 CCN[C@@H](C(=O)O)CO 1P01H2BZ [1,0,0,0,0,0|0,1,1]=3 35 B8R0.15 CCN[C@H](C(=O)O)CO 1P004THO [1,0,0,0,0,0|0,1,1]=3 36 B8R0.15 CCOC(C(=O)O)CC 1P019XQM [1,0,0,0,0,0|2,0,1]=4 37 B8R0.15 CNCC(C(=O)O)CO 1P01ALZU [1,0,0,0,0,0|2,1,0]=4 38 B8R0.15 COCC(C(=O)O)CC 1P028ZFG [1,0,0,0,0,0|3,0,0]=4 39 B8R0.15 O=CN[C@H](C(=O)O)CS 1P007RRU [1,0,0,0,0,0|0,0,0]=1 40 B8R0.16 OC=C(NC(=O)C)C=O 1P0289Q9 [1,0,0,0,0,0|0,1,2]=4 41 B8R0.16 OCC(NC(=O)C)CO 1P002U59 [1,0,0,0,0,0|0,1,1]=3 42 B8R0.23 CC(=C)CC(C(=O)O)C 1P01A6K2 [1,0,0,0,0,0|2,0,0]=3 43 B8R0.23 CC(=C)CC(C(=O)O)N 1P01BEQC [1,0,0,0,0,0|3,0,0]=4 44 B8R0.23 CC(=C)CC(C(=O)O)N 1P028BSM [1,0,0,0,0,0|3,0,0]=4 45 B8R0.23 CC(=C)C[C@@H](C(=O)O)C 1P01DVEX [1,0,0,0,0,0|2,0,0]=3 46 B8R0.23 CC(=C)C[C@@H](C(=O)O)N 1P004H6G [1,0,0,0,0,0|3,0,0]=4 47 B8R0.23 CC(=C)C[C@H](C(=O)O)N 1P01JNFJ [1,0,0,0,0,0|3,0,0]=4 48 B8R0.23 CC(=O)CC(C(=O)C)O 1P01IKOX [1,0,0,0,0,0|2,1,0]=4 49 B8R0.23 CC(=O)CC(C(=O)O)C 1P003O92 [1,0,0,0,0,0|1,0,0]=2 50 B8R0.23 CC(=O)CC(C(=O)O)N 1P00VVHG [1,0,0,0,0,0|2,0,0]=3 51 B8R0.23 CC(=O)NC(=C)C(=O)O 1P00IA5V [1,0,0,0,0,0|0,0,2]=3 52 B8R0.23 CC(=O)NC(C(=O)O)C 1P00HCMN [1,0,0,0,0,0|0,0,0]=1 53 B8R0.23 CC(=O)NC(C(O)C)C 1P00719U [1,0,0,0,0,0|1,0,1]=3 54 B8R0.23 CC(=O)N[C@@H](C(=O)O)C 1P003T5A [1,0,0,0,0,0|0,0,0]=1 55 B8R0.23 CC(=O)N[C@H](C(=O)O)C 1P003T5O [1,0,0,0,0,0|0,0,0]=1 56 B8R0.23 CC(=O)OC(C(=O)C)C 1P003J9G [1,0,0,0,0,0|2,0,0]=3 57 B8R0.23 CC(=O)OC(C(=O)Cl)C 1P00CI0A [1,0,0,0,0,0|2,0,0]=3 58 B8R0.23 CC(=O)OC(C(=O)O)C 1P00IA0E [1,0,0,0,0,0|1,0,0]=2 59 B8R0.23 CC(=O)O[C@@H](C(=O)Cl)C 1P00IMT7 [1,0,0,0,0,0|2,0,0]=3 60 B8R0.23 CC(=O)O[C@@H](C(=O)O)C 1P00AC23 [1,0,0,0,0,0|1,0,0]=2 61 B8R0.23 CC(=O)O[C@H](C(=O)Cl)C 1P003CU5 [1,0,0,0,0,0|2,0,0]=3 62 B8R0.23 CC(=O)O[C@H](C(=O)O)C 1P003CU4 [1,0,0,0,0,0|1,0,0]=2 63 B8R0.23 CC(C(=O)O)CC(C)C 1P00EBFG [1,0,0,0,0,0|2,0,1]=4 64 B8R0.23 CC(C(=O)O)CC(N)C 1P02914Z [1,0,0,0,0,0|2,0,1]=4 65 B8R0.23 CC(C(=O)O)CN(C)C 1P00J2B5 [1,0,0,0,0,0|3,0,0]=4 66 B8R0.23 CC(C(=O)O)NC(C)C 1P019VK1 [1,0,0,0,0,0|1,0,1]=3 67 B8R0.23 CC(C(=O)O)OC(C)C 1P005FR1 [1,0,0,0,0,0|2,0,1]=4 68 B8R0.23 CC(C(=O)O)SC(C)C 1P019NSY [1,0,0,0,0,0|2,0,1]=4 69 B8R0.23 CS(=O)CC(C(=O)O)C 1P01BF3I [1,0,0,0,0,0|2,0,0]=3 70 B8R0.23 CS(=O)C[C@@H](C(=O)O)N 1P00FABU [1,0,0,0,0,0|3,0,0]=4 71 B8R0.23 C[S@](=O)C[C@@H](C(=O)O)N 1P00CNZI [1,0,0,0,0,0|3,0,0]=4 72 B8R0.23 NC(=O)CC(C(=O)O)C 1P01B9DC [1,0,0,0,0,0|2,0,0]=3 73 B8R0.23 NC(=O)CC(C(=O)O)N 1P003Q9E [1,0,0,0,0,0|3,0,0]=4 74 B8R0.23 NC(=O)C[C@@H](C(=O)O)N 1P0035JS [1,0,0,0,0,0|3,0,0]=4 75 B8R0.23 NC(=O)C[C@@H](C(=O)O)N 1P00IARL [1,0,0,0,0,0|3,0,0]=4 76 B8R0.23 NC(=O)C[C@@H](C(=O)O)O 1P01I6GV [1,0,0,0,0,0|2,1,0]=4 77 B8R0.23 NC(=O)C[C@@H](C(=O)O)[15NH2] 1P00CG1O [1,0,0,0,0,0|3,0,0]=4 78 B8R0.23 NC(=O)C[C@H](C(=O)O)N 1P002AUA [1,0,0,0,0,0|3,0,0]=4 79 B8R0.23 NC(=O)C[C@H](C(=O)O)N 1P003RAT [1,0,0,0,0,0|3,0,0]=4 80 B8R0.23 NC(=O)C[C@H](C(=O)O)O 1P028HNM [1,0,0,0,0,0|2,1,0]=4 81 B8R0.23 NC(=O)NC(C(=O)O)C 1P00G40I [1,0,0,0,0,0|1,0,0]=2 82 B8R0.23 NC(=O)N[C@H](C(=O)O)C 1P00I1WN [1,0,0,0,0,0|1,0,0]=2 83 B8R0.23 OC(=O)CC(C(=O)C)C 1P003ON2 [1,0,0,0,0,0|3,0,0]=4 84 B8R0.23 OC(=O)CC(C(=O)N)C 1P01A53J [1,0,0,0,0,0|3,0,0]=4 85 B8R0.23 OC(=O)CC(C(=O)O)Br 1P003P1G [1,0,0,0,0,0|3,0,0]=4 86 B8R0.23 OC(=O)CC(C(=O)O)C 1P0032QP [1,0,0,0,0,0|2,0,0]=3 87 B8R0.23 OC(=O)CC(C(=O)O)N 1P00IBDD [1,0,0,0,0,0|3,0,0]=4 88 B8R0.23 OC(=O)CC(C(=O)O)O 1P003A2K [1,0,0,0,0,0|2,1,0]=4 89 B8R0.23 OC(=O)CC(C(=O)O)O 1P00DCO2 [1,0,0,0,0,0|2,1,0]=4 90 B8R0.23 OC(=O)CC(C(=O)O)O 1P01DQIV [1,0,0,0,0,0|2,1,0]=4 91 B8R0.23 OC(=O)CC(C(=O)O)S 1P003RXN [1,0,0,0,0,0|2,0,0]=3 92 B8R0.23 OC(=O)C[C@@H](C(=O)O)Br 1P002K98 [1,0,0,0,0,0|3,0,0]=4 93 B8R0.23 OC(=O)C[C@@H](C(=O)O)C 1P003CUV [1,0,0,0,0,0|2,0,0]=3 94 B8R0.23 OC(=O)C[C@@H](C(=O)O)F 1P01FM1V [1,0,0,0,0,0|3,0,0]=4 95 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P002J5V [1,0,0,0,0,0|3,0,0]=4 96 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P0035JU [1,0,0,0,0,0|3,0,0]=4 97 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P00BCQS [1,0,0,0,0,0|3,0,0]=4 98 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P00BGEE [1,0,0,0,0,0|3,0,0]=4 99 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P00I7X8 [1,0,0,0,0,0|3,0,0]=4 100 B8R0.23 OC(=O)C[C@@H](C(=O)O)O 1P003RN5 [1,0,0,0,0,0|2,1,0]=4 101 B8R0.23 OC(=O)C[C@@H](C(=O)O)[15NH2] 1P003ROV [1,0,0,0,0,0|3,0,0]=4 102 B8R0.23 OC(=O)C[C@H](C(=O)O)C 1P003CMN [1,0,0,0,0,0|2,0,0]=3 103 B8R0.23 OC(=O)C[C@H](C(=O)O)N 1P0026EB [1,0,0,0,0,0|3,0,0]=4 104 B8R0.23 OC(=O)C[C@H](C(=O)O)O 1P0032W0 [1,0,0,0,0,0|2,1,0]=4 105 B8R0.23 OC(=O)\C=C(/C(=O)O)\C 1P003I6D [1,0,0,0,0,0|2,0,1]=4 106 B8R0.23 OC(=O)\C=C(/C(=O)O)\C 1P01JGLL [1,0,0,0,0,0|2,0,1]=4 107 B8R0.23 OC(=O)\C=C(\C(=O)O)/C 1P003RXR [1,0,0,0,0,0|2,0,1]=4 108 B8R0.23 [O-]C(=O)CC(C(=O)O)N 1P006L6H [1,0,0,0,0,0|3,0,0]=4 109 B10R0.23 CC(=O)NC(C(=O)O)CC#C 1P002N2T [0,1,0,0,0,0|1,0,0]=2 110 B10R0.23 CC(=O)NC(C(=O)O)CC=C 1P00DGJ8 [0,1,0,0,0,0|1,0,0]=2 111 B10R0.23 CC(=O)NC(C(=O)O)CCS 1P00E68J [0,1,0,0,0,0|0,0,0]=1 112 B10R0.23 CCCC(C(=O)O)CC(=O)C 1P0034LA [0,1,0,0,0,0|2,0,0]=3 113 B10R0.23 CCCC(C(=O)O)CC(=O)O 1P00EBGC [0,1,0,0,0,0|3,0,0]=4 114 B10R0.23 CCCC(C(=O)O)NC(=O)C 1P003T5H [0,1,0,0,0,0|1,0,0]=2 115 B10R0.23 CCCC(C(=O)O)NC(=O)N 1P019Y5K [0,1,0,0,0,0|2,0,0]=3 116 B10R0.23 CCC[C@@H](C(=O)O)NC(=O)C 1P001RHF [0,1,0,0,0,0|1,0,0]=2 117 B10R0.23 CCC[C@H](C(=O)O)NC(=O)C 1P003O2R [0,1,0,0,0,0|1,0,0]=2 118 B10R0.23 CCC[C@H](C(=O)O)NC(=O)N 1P00BSG2 [0,1,0,0,0,0|2,0,0]=3 119 B10R0.23 CCNC(C(=O)O)CC(=O)O 1P01JLX5 [0,1,0,0,0,0|3,0,0]=4 120 B10R0.23 CNCC(C(=O)O)NC(=O)C 1P0098AN [0,1,0,0,0,0|1,0,0]=2 121 B10R0.23 COCC(C(=O)O)NC(=O)C 1P01DL74 [0,1,0,0,0,0|0,1,0]=2 122 B10R0.23 COC[C@H](C(=O)O)NC(=O)C 1P019GUY [0,1,0,0,0,0|0,1,0]=2 123 B10R0.23 NC(=O)C(NC(=O)N)CCS 1P028QAF [0,1,0,0,0,0|2,0,0]=3 124 B10R0.53 CCC(C(=O)O)NC(=O)CN 1P003TIA [0,1,0,0,0,0|1,0,0]=2 125 B10R0.53 CC[C@H](C(=O)O)NC(=O)OC 1P028MJX [0,1,0,0,0,0|1,0,0]=2 126 B10R0.53 CNC(C(=O)O)CC(=O)OC 1P028AI9 [0,1,0,0,0,0|3,0,0]=4 127 B10R0.53 OC[C@@H](C(=O)O)NC(=O)CN 1P003R9N [0,1,0,0,0,0|0,1,0]=2 128 B10R0.54 CC[C@H](C(=O)OC)NC(C)C 1P00IIZL [0,1,0,0,0,0|2,0,1]=4 129 B10R0.54 ClCC(C(=O)OC)NC(=O)C 1P00765C [0,1,0,0,0,0|1,0,0]=2 130 B10R0.54 OC[C@@H](C(=O)NC)NC(=O)C 1P01BSGU [0,1,0,0,0,0|1,1,0]=3 131 B10R0.54 SC[C@@H](C(=O)OC)NC(=O)C 1P005C1V [0,1,0,0,0,0|0,0,0]=1 132 B10R0.95 OC[C@@H](C(=O)O)NS(=O)(=O)C 1P019SBW [0,1,0,0,0,0|1,1,0]=3 133 B10R0.119 CCC(C(=O)O)(CC(=O)O)C 1P00EBF8 [0,1,0,0,0,0|3,0,0]=4 134 B10R0.119 CCC(C(=O)O)(NC(=O)C)C 1P0297XP [0,1,0,0,0,0|1,0,0]=2 135 B10R0.119 CCC(C(=S)N)(NC(=O)C)C 1P028YKG [0,1,0,0,0,0|2,1,0]=4 136 B10R0.119 NCC(C(=O)O)(CC(=O)O)C 1P00VW4V [0,1,0,0,0,0|3,0,0]=4 137 B10R0.162 CC(=O)NC(C(=O)O)C(C)C 1P00I58G [0,1,0,0,0,0|1,0,0]=2 138 B10R0.162 CC(=O)N[C@@H](C(=O)O)C(C)C 1P0027B6 [0,1,0,0,0,0|1,0,0]=2 139 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 1P0077PV [0,1,0,0,0,0|2,0,0]=3 140 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C 1P003191 [0,1,0,0,0,0|1,0,0]=2 141 B10R0.162 CC(=O)N[C@H](C(=O)O)[C@@H](O)C 1P0282YA [0,1,0,0,0,0|0,1,0]=2 142 B10R0.162 CC(=O)N[C@H](C(=O)O)[C@H](O)C 1P00AQK0 [0,1,0,0,0,0|0,1,0]=2 143 B10R0.162 CC(NC(C(=O)O)C(C)C)C 1P019VKH [0,1,0,0,0,0|2,0,1]=4 144 B10R0.162 NC(=O)NC(C(=O)O)C(C)C 1P00CE4T [0,1,0,0,0,0|2,0,0]=3 145 B10R0.162 NC(=O)N[C@@H](C(=O)O)C(C)C 1P002PZB [0,1,0,0,0,0|2,0,0]=3 146 B10R0.162 NC(=O)N[C@H](C(=O)O)C(C)C 1P002S2D [0,1,0,0,0,0|2,0,0]=3 147 B10R0.162 OC(=O)CC(C(=O)O)C(C)C 1P002NHS [0,1,0,0,0,0|3,0,0]=4 148 B10R1.30 OC[C@@H]1NC(=O)CNC1=O 1P00DBEQ [0,0,0,1,0,0|1,1,0]=3 149 B10R1.59 O=C1CC(C(N1)C(=O)O)C 1P00BJZD [0,0,0,1,0,0|1,0,0]=2 150 B10R1.59 O=C1OC(C(N1)C(=O)O)C 1P000JCH [0,0,0,1,0,0|2,0,0]=3 151 B10R1.59 O=C1O[C@@H]([C@H](N1)C(=O)O)C 1P01PEUN [0,0,0,1,0,0|2,0,0]=3 152 B10R1.64 CC(=O)CC1CCCC1=O 1P01HQIN [0,0,0,1,0,0|3,0,0]=4 153 B10R1.64 CC(=O)NC1CCSC1=O 1P000JCI [0,0,0,1,0,0|1,1,0]=3 154 B10R1.64 CC(=O)NC1COCC1O 1P01C8CU [0,0,0,1,0,0|1,1,1]=4 155 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 1P01DFKN [0,0,0,1,0,0|2,0,1]=4 156 B10R1.64 CC(=O)N[C@H]1CCOC1=O 1P00DL3D [0,0,0,1,0,0|1,0,0]=2 157 B10R1.64 CC(=O)OC1CCNC1=O 1P00COET [0,0,0,1,0,0|3,0,0]=4 158 B10R1.64 OC(=O)CC1CCOC1=O 1P028J0Y [0,0,0,1,0,0|3,0,0]=4 159 B10R1.113 CC1CCCC(N1)C(=O)O 1P00IKRU [0,0,0,1,0,0|2,0,1]=4 160 B10R1.113 CC1CCCC(N1)C(=O)O 1P01ADM0 [0,0,0,1,0,0|2,0,1]=4 161 B10R1.113 CC1COCC(N1)C(=O)O 1P01ADML [0,0,0,1,0,0|1,1,1]=4 162 B10R1.113 CC1CSCC(N1)C(=O)O 1P01FIWT [0,0,0,1,0,0|1,0,1]=3 163 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O 1P01B5EE [0,0,0,1,0,0|2,0,1]=4 164 B10R1.113 C[C@@H]1COC[C@@H](N1)C(=O)O 1P021XIM [0,0,0,1,0,0|1,1,1]=4 165 B10R1.113 C[C@H]1COC[C@H](N1)C(=O)O 1P01B8O1 [0,0,0,1,0,0|1,1,1]=4 166 B10R1.113 O=C1C=CCC(C1)C(=O)O 1P006X3X [0,0,0,1,0,0|2,0,1]=4 167 B10R1.113 O=C1CCCC(C1)C(=O)N 1P01B8OW [0,0,0,1,0,0|3,0,0]=4 168 B10R1.113 O=C1CCCC(C1)C(=O)O 1P001T5N [0,0,0,1,0,0|2,0,0]=3 169 B10R1.113 O=C1CCCC(N1)C(=O)O 1P00BZX3 [0,0,0,1,0,0|1,0,0]=2 170 B10R1.113 O=C1CCCC(O1)C(=O)O 1P028WFW [0,0,0,1,0,0|2,0,0]=3 171 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O 1P01KAEN [0,0,0,1,0,0|2,0,0]=3 172 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O 1P005ES3 [0,0,0,1,0,0|1,0,0]=2 173 B10R1.113 O=C1CCC[C@H](C1)C(=O)O 1P01G74C [0,0,0,1,0,0|2,0,0]=3 174 B10R1.113 O=C1CCC[C@H](N1)C(=O)O 1P003D1Y [0,0,0,1,0,0|1,0,0]=2 175 B10R1.113 O=C1CCNC(C1)C(=O)O 1P00IKTR [0,0,0,1,0,0|3,0,0]=4 176 B10R1.113 O=C1CCOC(C1)C(=O)O 1P01B8MB [0,0,0,1,0,0|3,0,0]=4 177 B10R1.113 O=C1CSCC(N1)C(=O)O 1P001IJ5 [0,0,0,1,0,0|0,0,0]=1 178 B10R1.113 O=C1CSC[C@H](N1)C(=O)O 1P00F5U9 [0,0,0,1,0,0|0,0,0]=1 179 B10R1.113 O=C1NCCC(C1)C(=O)O 1P002OXK [0,0,0,1,0,0|3,0,0]=4 180 B10R1.113 O=C1NNCC(C1)C(=O)O 1P024UOT [0,0,0,1,0,0|3,0,0]=4 181 B10R1.113 O=C1OCCC(N1)C(=O)O 1P01C2KY [0,0,0,1,0,0|2,0,0]=3 182 B10R1.113 O=C1OCC[C@@H](N1)C(=O)O 1P028YQR [0,0,0,1,0,0|2,0,0]=3 183 B10R1.113 O=C1OCC[C@H](N1)C(=O)O 1P02409S [0,0,0,1,0,0|2,0,0]=3 184 B10R1.113 OC(=O)[C@@H]1CCN=C(N1)C 1P006Q2M [0,0,0,1,0,0|2,0,0]=3 185 B10R1.234 C#CC1(CC(=O)C1)C(=O)O 1P02886S [0,0,0,1,0,0|2,0,1]=4 186 B10R1.234 CSC1(CC(=O)C1)C(=O)O 1P028JAU [0,0,0,1,0,0|3,0,0]=4 187 B10R1.234 FCC1(CC(=O)C1)C(=O)O 1P028IS6 [0,0,0,1,0,0|2,0,0]=3 188 B10R1.234 NCC1(CC(=C)C1)C(=O)O 1P028UU1 [0,0,0,1,0,0|3,0,0]=4 189 B10R1.282 OC(=O)[C@@H]1[C@H](C1C)C(=O)O 1P0292SC [0,0,0,1,0,0|3,0,0]=4 190 B10R1.359 OC(=O)C1CCC(N1)(C)C 1P01AG1Z [0,0,0,1,0,0|2,0,1]=4 191 B10R1.359 OC(=O)C1CCS(=O)(=O)N1 1P000FIK [0,0,0,1,0,0|3,0,0]=4 192 B10R1.359 OC(=O)C1CSC(N1)(C)C 1P00C8LB [0,0,0,1,0,0|1,0,1]=3 193 B10R1.359 OC(=O)C1CSC(N1)(C)C 1P00CVYL [0,0,0,1,0,0|1,0,1]=3 194 B10R1.359 OC(=O)[C@@H]1CCC(N1)(C)C 1P001EY4 [0,0,0,1,0,0|2,0,1]=4 195 B10R1.359 OC(=O)[C@@H]1CSC(N1)(C)C 1P00FE7U [0,0,0,1,0,0|1,0,1]=3 196 B10R1.359 OC(=O)[C@@H]1CSC(N1)(C)C 1P01GK98 [0,0,0,1,0,0|1,0,1]=3 197 B10R1.361 CC(=O)N1CCC1C(=O)O 1P00DPEJ [0,0,0,1,0,0|1,0,0]=2 198 B10R1.361 CC(=O)N1CC[C@H]1C(=O)O 1P01JWPK [0,0,0,1,0,0|1,0,0]=2 199 B10R1.361 NC(=O)C1CCC1C(=O)O 1P00H171 [0,0,0,1,0,0|3,0,0]=4 200 B10R1.361 OC(=O)C1CCC1C(=O)O 1P00CLB5 [0,0,0,1,0,0|3,0,0]=4 201 B10R1.361 OC(=O)[C@@H]1CCN1C(C)C 1P007N60 [0,0,0,1,0,0|2,0,1]=4 202 B10R1.361 OC(=O)[C@@H]1CC[C@@H]1C(=O)O 1P001E6A [0,0,0,1,0,0|3,0,0]=4 203 B10R1.361 OC(=O)[C@@H]1CC[C@H]1C(=O)O 1P003VFJ [0,0,0,1,0,0|3,0,0]=4 204 B10R1.361 OC(=O)[C@H]1CC[C@@H]1C(=O)O 1P00ESO4 [0,0,0,1,0,0|3,0,0]=4 205 B10R1.442 CC(=O)CC1(CC1)C(=O)O 1P028K5Y [0,0,0,1,0,0|2,0,0]=3 206 B10R1.442 CC(=O)NC1(CC1)C(=O)O 1P00CSKB [0,0,0,1,0,0|1,0,0]=2 207 B10R1.442 CC(=O)OC1(CC1)C(=O)O 1P000KH3 [0,0,0,1,0,0|2,0,0]=3 208 B10R1.442 CC(NC1(CC1)C(=O)O)C 1P028Y0C [0,0,0,1,0,0|2,0,1]=4 209 B10R1.442 NC(=O)NC1(CC1)C(=O)O 1P01A4BJ [0,0,0,1,0,0|2,0,0]=3 210 B10R1.442 OC(=O)CC1(CC1)C(=O)O 1P01AEL8 [0,0,0,1,0,0|3,0,0]=4 211 B8R0.18 CCC(C(=O)C)C(=O)C 1P003JUW [0,0,0,0,1,0|2,0,0]=3 212 B8R0.18 CCC(C(=O)Cl)C(=O)Cl 1P028JPQ [0,0,0,0,1,0|3,0,0]=4 213 B8R0.18 CCC(C(=O)N)C(=O)N 1P00EUF0 [0,0,0,0,1,0|3,0,0]=4 214 B8R0.18 CCC(C(=O)O)C(=O)O 1P0033RI [0,0,0,0,1,0|2,0,0]=3 215 B8R0.18 CCC(C(=O)O)C(C)C 1P007GLY [0,0,0,0,1,0|2,0,1]=4 216 B8R0.18 CCC(C(=O)O)C(N)C 1P005AOA [0,0,0,0,1,0|2,0,1]=4 217 B8R0.18 CCC(C(=O)O)C(O)C 1P01BD6X [0,0,0,0,1,0|1,0,2]=4 218 B8R0.18 CCC(C(=O)O)N(C)C 1P00ADAP [0,0,0,0,1,0|3,0,0]=4 219 B8R0.18 CCC(C(=O)O)N(C)C 1P01A0XX [0,0,0,0,1,0|3,0,0]=4 220 B8R0.18 CC[C@@H](C(=O)O)N(C)C 1P01AMTH [0,0,0,0,1,0|3,0,0]=4 221 B8R0.18 CC[C@H](C(=O)O)N(C)C 1P01BVYP [0,0,0,0,1,0|3,0,0]=4 222 B8R0.18 COC(C(=O)C)C(=O)C 1P002SRD [0,0,0,0,1,0|3,0,0]=4 223 B8R0.18 NCC(C(=O)O)C(C)C 1P019Q9C [0,0,0,0,1,0|2,0,1]=4 224 B8R0.18 NC[C@@H](C(=O)O)C(C)C 1P0029LI [0,0,0,0,1,0|2,0,1]=4 225 B8R0.18 NC[C@@H](C(=O)O)C(C)C 1P003D15 [0,0,0,0,1,0|2,0,1]=4 226 B8R0.18 NC[C@@H](C(=O)O)N(C)C 1P028YDN [0,0,0,0,1,0|3,0,0]=4 227 B8R0.18 NC[C@H](C(=O)O)C(C)C 1P000XNY [0,0,0,0,1,0|2,0,1]=4 228 B8R0.18 NC[C@H](C(=O)O)C(C)C 1P002L6O [0,0,0,0,1,0|2,0,1]=4 229 B8R0.18 O=CC(C(=O)C)C(=O)C 1P0201Z1 [0,0,0,0,1,0|1,1,1]=4 230 B8R0.18 OCC(C(=O)O)C(C)C 1P01AFU5 [0,0,0,0,1,0|1,1,1]=4 231 B8R0.18 OC[C@@H](C(=O)O)N(C)C 1P007LT9 [0,0,0,0,1,0|2,1,0]=4 232 B8R0.18 OC[C@H](C(=O)O)N(C)C 1P000TEL [0,0,0,0,1,0|2,1,0]=4 233 B10R0.84 CCC(C(=O)O)CCC(=O)C 1P01HM7L [0,0,0,0,0,1|2,0,0]=3 234 B7R0.5 CC(C(=O)N)NCC 1P00J2EF [2,0,0,0,0,0|1,0,1]=4 235 B7R0.5 CC(C(=O)O)CC=C 1P001PYS [2,0,0,0,0,0|1,0,1]=4 236 B7R0.5 CC(C(=O)O)CCC 1P0033V6 [2,0,0,0,0,0|1,0,1]=4 237 B7R0.5 CC(C(=O)O)CNC 1P00J2Y9 [2,0,0,0,0,0|2,0,0]=4 238 B7R0.5 CC(C(=O)O)COC 1P007XM3 [2,0,0,0,0,0|2,0,0]=4 239 B7R0.5 CC(C(=O)O)CSC 1P00EFBG [2,0,0,0,0,0|2,0,0]=4 240 B7R0.5 CC(C(=O)O)NCC 1P01DZ09 [2,0,0,0,0,0|0,0,1]=3 241 B7R0.5 CC(C(=O)O)OCC 1P00I9Y6 [2,0,0,0,0,0|1,0,1]=4 242 B7R0.5 CC(C(=O)O)SCC 1P002A2O [2,0,0,0,0,0|1,0,1]=4 243 B7R0.5 CCCC(C(=O)O)S 1P00KF9S [2,0,0,0,0,0|1,0,1]=4 244 B7R0.5 C[C@@H](C(=O)O)CC=C 1P01GUL6 [2,0,0,0,0,0|1,0,1]=4 245 B7R0.5 C[C@@H](C(=O)O)COC 1P027VIC [2,0,0,0,0,0|2,0,0]=4 246 B7R0.5 C[C@@H](C(=O)O)NCC 1P00ENDL [2,0,0,0,0,0|0,0,1]=3 247 B7R0.5 C[C@H](C(=O)O)COC 1P01AG1F [2,0,0,0,0,0|2,0,0]=4 248 B7R0.5 C[C@H](C(=O)O)NCC 1P01J7GU [2,0,0,0,0,0|0,0,1]=3 249 B7R0.5 O=CNC(C(=O)O)C 1P003THZ [2,0,0,0,0,0|0,0,0]=2 250 B7R0.5 O=CN[C@H](C(=O)O)C 1P003TI4 [2,0,0,0,0,0|0,0,0]=2 251 B7R0.12 OCC(NC=O)CO 1P028XSE [2,0,0,0,0,0|0,1,1]=4 252 B7R0.15 CCC(C(=O)N)NC 1P009E93 [2,0,0,0,0,0|2,0,0]=4 253 B7R0.15 CCC(C(=O)O)C=C 1P0280ZW [2,0,0,0,0,0|1,0,1]=4 254 B7R0.15 CCC(C(=O)O)CC 1P003HO8 [2,0,0,0,0,0|1,0,1]=4 255 B7R0.15 CCC(C(=O)O)CN 1P01AH6Z [2,0,0,0,0,0|1,0,1]=4 256 B7R0.15 CCC(C(=O)O)NC 1P019XQL [2,0,0,0,0,0|1,0,0]=3 257 B7R0.15 CCC(C(=O)O)NN 1P001ROF [2,0,0,0,0,0|2,0,0]=4 258 B7R0.15 CCC(C(=O)O)OC 1P00EE8W [2,0,0,0,0,0|2,0,0]=4 259 B7R0.15 CCC(C(=O)O)SC 1P01A281 [2,0,0,0,0,0|2,0,0]=4 260 B7R0.15 CC[C@@H](C(=O)N)NC 1P01XC7N [2,0,0,0,0,0|2,0,0]=4 261 B7R0.15 CC[C@@H](C(=O)O)NC 1P0048OD [2,0,0,0,0,0|1,0,0]=3 262 B7R0.15 CC[C@H](C(=O)O)CN 1P00IV03 [2,0,0,0,0,0|1,0,1]=4 263 B7R0.15 CC[C@H](C(=O)O)NC 1P028GU2 [2,0,0,0,0,0|1,0,0]=3 264 B7R0.15 CN[C@@H](C(=O)O)CO 1P006LN1 [2,0,0,0,0,0|0,1,0]=3 265 B7R0.15 CN[C@H](C(=O)O)CO 1P009WAM [2,0,0,0,0,0|0,1,0]=3 266 B7R0.15 CN[C@H](C(=O)O)CS 1P009BLQ [2,0,0,0,0,0|0,0,0]=2 267 B7R0.15 COC(C(=O)O)CN 1P01A4AE [2,0,0,0,0,0|2,0,0]=4 268 B7R0.15 COC(C(=O)O)CO 1P0287BD [2,0,0,0,0,0|1,1,0]=4 269 B7R0.15 CSC(C(=O)O)CCl 1P028MYD [2,0,0,0,0,0|2,0,0]=4 270 B7R0.15 NCC(C(=O)O)NC 1P01BI8O [2,0,0,0,0,0|1,0,0]=3 271 B7R0.2 CC(=O)NC(=O)CBr 1P007ICG [2,0,0,0,0,0|1,0,1]=4 272 B7R0.2 CC(=O)NC(=O)CCl 1P001ZL0 [2,0,0,0,0,0|1,0,1]=4 273 B7R0.2 CC(C=C)OC(=O)C 1P003JM8 [2,0,0,0,0,0|2,0,0]=4 274 B7R0.2 CC(NC(=O)C)CCl 1P01C49W [2,0,0,0,0,0|1,0,1]=4 275 B7R0.6 CC(=C)CCC(=O)O 1P0001EL [2,0,0,0,0,0|2,0,0]=4 276 B7R0.6 CC(=O)C=CC(=O)O 1P003414 [2,0,0,0,0,0|1,0,1]=4 277 B7R0.6 CC(=O)CCC(=O)C 1P003GHY [2,0,0,0,0,0|2,0,0]=4 278 B7R0.6 CC(=O)CCC(=O)O 1P000KEL [2,0,0,0,0,0|1,0,0]=3 279 B7R0.6 CC(=O)NCC(=O)C 1P0036XR [2,0,0,0,0,0|1,0,0]=3 280 B7R0.6 CC(=O)NCC(=O)N 1P002SQ3 [2,0,0,0,0,0|1,0,0]=3 281 B7R0.6 CC(=O)NCC(=O)O 1P0033J8 [2,0,0,0,0,0|0,0,0]=2 282 B7R0.6 CC(=O)NNC(=O)C 1P003PRJ [2,0,0,0,0,0|2,0,0]=4 283 B7R0.6 CC(=O)OCC(=O)C 1P003IAP [2,0,0,0,0,0|2,0,0]=4 284 B7R0.6 CC(=O)OCC(=O)Cl 1P0018ZD [2,0,0,0,0,0|2,0,0]=4 285 B7R0.6 CC(=O)OCC(=O)O 1P0018ZE [2,0,0,0,0,0|1,0,0]=3 286 B7R0.6 CC(=O)SCC(=O)O 1P000PI2 [2,0,0,0,0,0|1,0,0]=3 287 B7R0.6 CC(CNC(=O)C)O 1P00719V [2,0,0,0,0,0|1,0,1]=4 288 B7R0.6 CC(NCC(=O)O)C 1P00C901 [2,0,0,0,0,0|1,0,1]=4 289 B7R0.6 CC(NCC(=O)O)C 1P019MFH [2,0,0,0,0,0|1,0,1]=4 290 B7R0.6 CS(=O)CCC(=O)O 1P001DGF [2,0,0,0,0,0|2,0,0]=4 291 B7R0.6 NC(=N)NCC(=O)O 1P003RAC [2,0,0,0,0,0|2,0,0]=4 292 B7R0.6 NC(=O)CCC(=O)O 1P003UWV [2,0,0,0,0,0|2,0,0]=4 293 B7R0.6 NC(=O)NCC(=O)O 1P00D8YO [2,0,0,0,0,0|1,0,0]=3 294 B7R0.6 OB(CNC(=O)C)O 1P01A7DI [2,0,0,0,0,0|1,0,1]=4 295 B7R0.6 OC(=O)CC=C(C)C 1P00389R [2,0,0,0,0,0|2,0,0]=4 296 B7R0.6 OC(=O)CCC(=O)O 1P003UWX [2,0,0,0,0,0|2,0,0]=4 297 B7R0.6 OC(=O)CCC(=O)O 1P00BCU9 [2,0,0,0,0,0|2,0,0]=4 298 B7R0.6 OC(=O)CCC(=O)O 1P00I4UF [2,0,0,0,0,0|2,0,0]=4 299 B7R0.6 OC(=O)CCC(=O)O 1P00I5VN [2,0,0,0,0,0|2,0,0]=4 300 B7R0.6 OC(=O)CNC(=S)C 1P00IN1C [2,0,0,0,0,0|0,1,0]=3 301 B7R0.6 OC(=O)CN[N+](=O)[O-] 1P009RTK [2,0,0,0,0,0|2,0,0]=4 302 B7R0.6 [O-]C(=O)CCC(=O)C 1P002C2S [2,0,0,0,0,0|1,0,1]=4 303 B7R0.6 [O-]C(=O)CCC(=O)C 1P003P4T [2,0,0,0,0,0|1,0,1]=4 304 B7R0.6 [O-]C(=O)CCC(=O)C 1P00IMYY [2,0,0,0,0,0|1,0,1]=4 305 B7R0.6 [O-]C(=O)CCC(=O)O 1P001OMB [2,0,0,0,0,0|2,0,0]=4 306 B9R0.12 CCNC(C(=O)OC)CC 1P01EJHM [1,1,0,0,0,0|1,0,1]=4 307 B9R0.13 C\C=C\CC(C(=O)O)CC 1P0288U8 [1,1,0,0,0,0|2,0,0]=4 308 B9R0.29 CCN(C(C(=O)O)CC)C 1P00J2BH [1,1,0,0,0,0|1,0,1]=4 309 B9R0.33 CCNC(C(=O)O)C(C)C 1P01AAZK [1,1,0,0,0,0|1,0,1]=4 310 B9R0.11 CC(=O)CC(C(=O)O)(C)C 1P00DZW2 [1,1,0,0,0,0|1,0,0]=3 311 B9R0.11 CC(=O)NC(C(=O)O)(C)C 1P00DL9X [1,1,0,0,0,0|0,0,0]=2 312 B9R0.11 CC(=O)OC(C(=O)Br)(C)C 1P003GRB [1,1,0,0,0,0|2,0,0]=4 313 B9R0.11 CC(=O)OC(C(=O)Cl)(C)C 1P003EP7 [1,1,0,0,0,0|2,0,0]=4 314 B9R0.11 CC(=O)OC(C(=O)O)(C)C 1P01AG9J [1,1,0,0,0,0|1,0,0]=3 315 B9R0.11 OC(=O)CC(C(=O)O)(C)C 1P003FSH [1,1,0,0,0,0|2,0,0]=4 316 B9R0.11 OC(=O)CC(C(=O)O)(S)S 1P006XMQ [1,1,0,0,0,0|2,0,0]=4 317 B9R0.11 OC(=O)C[C@@](C(=O)O)(N)C 1P007K6T [1,1,0,0,0,0|2,0,0]=4 318 B9R0.11 OC(=O)C[C@](C(=O)O)(O)C 1P003PO5 [1,1,0,0,0,0|2,0,0]=4 319 B9R0.23 CC(C(=O)OC)CC(=O)O 1P01A0JP [1,1,0,0,0,0|2,0,0]=4 320 B9R0.23 CC(C(=O)OC)NC(=O)N 1P028WFG [1,1,0,0,0,0|1,0,0]=3 321 B9R0.23 CNC(=O)[C@@H](NC(=O)C)C 1P00ALAD [1,1,0,0,0,0|1,0,0]=3 322 B9R0.23 COC(=O)C(=C)NC(=O)C 1P0037T5 [1,1,0,0,0,0|0,0,2]=4 323 B9R0.23 COC(=O)C(CC(=O)C)C 1P01AC9R [1,1,0,0,0,0|1,0,0]=3 324 B9R0.23 COC(=O)C(CC(=O)C)N 1P028W71 [1,1,0,0,0,0|2,0,0]=4 325 B9R0.23 COC(=O)C(NC(=O)C)C 1P00C0A9 [1,1,0,0,0,0|0,0,0]=2 326 B9R0.23 COC(=O)C(OC(=O)C)C 1P00F3XV [1,1,0,0,0,0|1,0,0]=3 327 B9R0.23 COC(=O)[C@@H](NC(=O)C)C 1P002UC8 [1,1,0,0,0,0|0,0,0]=2 328 B9R0.23 COC(=O)[C@@H](OC(=O)C)C 1P001CPD [1,1,0,0,0,0|1,0,0]=3 329 B9R0.23 COC(=O)[C@H](NC(=O)C)C 1P002CED [1,1,0,0,0,0|0,0,0]=2 330 B9R0.42 CC(C(=O)O)NC(=O)CC 1P00J276 [1,1,0,0,0,0|0,0,0]=2 331 B9R0.42 CCC(=O)CC(C(=O)O)N 1P00VVTZ [1,1,0,0,0,0|2,0,0]=4 332 B9R0.42 CNC(=O)CC(C(=O)O)N 1P01DNS8 [1,1,0,0,0,0|2,0,0]=4 333 B9R0.42 COC(=O)CC(C(=O)O)N 1P003AAX [1,1,0,0,0,0|2,0,0]=4 334 B9R0.42 COC(=O)C[C@@H](C(=O)O)Br 1P028J7E [1,1,0,0,0,0|2,0,0]=4 335 B9R0.42 COC(=O)C[C@@H](C(=O)O)N 1P001YMF [1,1,0,0,0,0|2,0,0]=4 336 B9R0.42 COC(=O)C[C@@H](C(=O)O)N 1P007PN9 [1,1,0,0,0,0|2,0,0]=4 337 B9R0.42 COC(=O)C[C@H](C(=O)O)Br 1P027U0B [1,1,0,0,0,0|2,0,0]=4 338 B9R0.42 COC(=O)C[C@H](C(=O)O)N 1P0039SA [1,1,0,0,0,0|2,0,0]=4 339 B9R0.42 COC(=O)C[C@H](C(=O)O)N 1P00BGJ8 [1,1,0,0,0,0|2,0,0]=4 340 B9R0.42 C[C@@H](C(=O)O)CC(=O)OC 1P003EZT [1,1,0,0,0,0|1,0,0]=3 341 B9R0.42 C[C@@H](C(=O)O)NC(=O)CCl 1P000PH5 [1,1,0,0,0,0|0,0,0]=2 342 B9R0.42 C[C@@H](C(=O)O)NC(=O)CN 1P002N56 [1,1,0,0,0,0|0,0,0]=2 343 B9R0.42 C[C@H](C(=O)O)CC(=O)OC 1P008ZN8 [1,1,0,0,0,0|1,0,0]=3 344 B9R0.42 NCC(=O)CC(C(=O)O)N 1P01KL5Z [1,1,0,0,0,0|2,0,0]=4 345 B9R0.42 O=NN(CC(C(=O)O)C)C 1P02842K [1,1,0,0,0,0|2,0,0]=4 346 B9R0.42 OC(C(=O)O)NC(=O)C=C 1P003770 [1,1,0,0,0,0|0,1,1]=4 347 B9R0.42 [O-]C(=O)C(CC(=O)OC)C 1P002N6P [1,1,0,0,0,0|1,0,1]=4 348 B9R0.57 CC(C(=O)O)NC(C)(C)C 1P023JD4 [1,1,0,0,0,0|1,0,1]=4 349 B9R0.57 OC(=O)C(CS(=O)(=O)C)C 1P019TYK [1,1,0,0,0,0|2,0,0]=4 350 B9R0.57 OC(=O)C(NS(=O)(=O)C)C 1P00GW4O [1,1,0,0,0,0|1,0,0]=3 351 B9R0.57 OC(=O)[C@@H](OS(=O)(=O)C)C 1P006MFY [1,1,0,0,0,0|2,0,0]=4 352 B9R0.79 C[C@H]([C@@H](C(=O)O)C)C(=O)O 1P00ED8C [1,1,0,0,0,0|2,0,0]=4 353 B9R0.79 OC(=O)C(C(C(=O)O)C)O 1P00VV54 [1,1,0,0,0,0|2,0,0]=4 354 B9R0.79 OC(=O)[C@H](C(C(=O)O)C)N 1P002Z6M [1,1,0,0,0,0|2,0,0]=4 355 B9R0.79 OC(=O)[C@H]([C@H](C(=O)O)C)O 1P01DX6B [1,1,0,0,0,0|2,0,0]=4 356 B9R0.79 S[C@H]([C@@H](C(=O)O)S)C(=O)O 1P0030GL [1,1,0,0,0,0|2,0,0]=4 357 B9R0.54 CC(C(C(=O)O)C(=O)O)C 1P00IB40 [0,1,0,0,1,0|2,0,0]=4 358 B9R0.76 CCC(C(=O)O)(C(=O)N)C 1P028VTQ [0,1,0,0,1,0|2,0,0]=4 359 B9R0.76 CCC(C(=O)O)(C(=O)O)C 1P00EUNX [0,1,0,0,1,0|2,0,0]=4 360 B11R0.32 OC(=O)CC(C(=O)O)NC(=O)C 1P003T5E [0,1,0,0,0,1|0,1,1]=4 361 B11R0.32 OC(=O)C[C@@H](C(=O)N)NC(=O)C 1P00EH76 [0,1,0,0,0,1|0,1,1]=4 362 B11R0.32 OC(=O)C[C@@H](C(=O)O)NC(=O)C 1P0036Q0 [0,1,0,0,0,1|0,1,1]=4 363 B11R0.275 SC[C@@H](C(=O)O)NC(=O)C(C)C 1P000MM7 [0,1,0,0,0,1|1,0,1]=4 364 B11R0.39 BrCCC(C(=O)OC)OC(=O)C 1P003S2X [0,2,0,0,0,0|2,0,0]=4 365 B11R0.115 CC[C@@H]([C@@H](C(=O)N)NC(=O)C)C 1P00EH7C [0,2,0,0,0,0|2,0,0]=4 366 B11R0.115 CC[C@@H]([C@@H](C(=O)O)NC(=O)C)C 1P0031PG [0,2,0,0,0,0|1,0,0]=3 367 B11R0.115 CC[C@@H]([C@H](C(=O)O)NC(=O)C)C 1P003T5B [0,2,0,0,0,0|1,0,0]=3 368 B11R0.115 CNC(=O)C(C(C)C)NC(=O)C 1P01HGK3 [0,2,0,0,0,0|2,0,0]=4 369 B11R0.115 CNC(=O)[C@H]([C@H](O)C)NC(=O)C 1P01CAS8 [0,2,0,0,0,0|1,1,0]=4 370 B11R0.115 COC(=O)[C@H](C(C)C)NC(=O)C 1P001LWZ [0,2,0,0,0,0|1,0,0]=3 371 B11R0.115 COC(=O)[C@H](C(Cl)O)NC(=O)C 1P004I4Z [0,2,0,0,0,0|0,1,0]=3 372 B11R0.115 COC(=O)[C@H]([C@H](O)C)NC(=O)C 1P00C41Y [0,2,0,0,0,0|0,1,0]=3 373 B11R0.115 C[C@H]([C@@H](C(=O)O)NC(=O)N)CC 1P00CE5Y [0,2,0,0,0,0|2,0,0]=4 374 B11R0.160 CC(=O)N[C@H](C(=O)O)CCCN 1P00EGE5 [0,2,0,0,0,0|1,0,0]=3 375 B11R0.160 CCCCC(C(=O)O)NC(=O)C 1P003T5G [0,2,0,0,0,0|1,0,0]=3 376 B11R0.160 CCCCC(C(=O)O)NC(=O)N 1P00DJKL [0,2,0,0,0,0|2,0,0]=4 377 B11R0.160 CCCC[C@@H](C(=O)O)NC(=O)C 1P001RHG [0,2,0,0,0,0|1,0,0]=3 378 B11R0.160 CCCC[C@H](C(=O)O)NC(=O)C 1P00DBEW [0,2,0,0,0,0|1,0,0]=3 379 B11R0.160 COCCC(C(=O)O)NC(=O)C 1P01A93T [0,2,0,0,0,0|0,1,0]=3 380 B11R0.160 CSCCC(C(=O)N)NC(=O)N 1P01IE5Z [0,2,0,0,0,0|2,0,0]=4 381 B11R0.160 CSCCC(C(=O)O)NC(=O)C 1P003T5F [0,2,0,0,0,0|0,0,0]=2 382 B11R0.160 CSCC[C@@H](C(=O)N)NC(=O)C 1P002NFT [0,2,0,0,0,0|1,0,0]=3 383 B11R0.160 CSCC[C@@H](C(=O)O)NC(=O)C 1P00IBWF [0,2,0,0,0,0|0,0,0]=2 384 B11R0.160 CSCC[C@@H](C(=O)O)NC(=O)N 1P0030HO [0,2,0,0,0,0|1,0,0]=3 385 B11R0.160 CSCC[C@H](C(=O)O)NC(=O)C 1P001NEM [0,2,0,0,0,0|0,0,0]=2 386 B11R0.236 C=CC[C@@H](C(=O)O)NC(=O)OC 1P01XC32 [0,2,0,0,0,0|1,0,0]=3 387 B11R0.236 CCCC(C(=O)O)NC(=O)CCl 1P00FCCL [0,2,0,0,0,0|1,0,0]=3 388 B11R0.236 CCCC(C(=O)O)NC(=O)CN 1P003R9C [0,2,0,0,0,0|1,0,0]=3 389 B11R0.108 CCC(=O)N[C@H](C(=O)O)C(C)C 1P021ZAC [0,2,0,0,0,0|1,0,0]=3 390 B11R0.108 COC(=O)NC(C(=O)O)C(C)C 1P008SVJ [0,2,0,0,0,0|1,0,0]=3 391 B11R0.108 COC(=O)N[C@@H](C(=O)O)C(C)C 1P003AB3 [0,2,0,0,0,0|1,0,0]=3 392 B11R0.108 COC(=O)N[C@H](C(=O)O)C(C)C 1P003D0Q [0,2,0,0,0,0|1,0,0]=3 393 B11R0.108 ClCC(=O)NC(C(=O)C)C(C)C 1P019KQG [0,2,0,0,0,0|2,0,0]=4 394 B11R0.108 ClCC(=O)NC(C(=O)O)C(C)C 1P003P9U [0,2,0,0,0,0|1,0,0]=3 395 B11R0.108 ClCC(=O)N[C@H](C(=O)O)C(C)C 1P003P9X [0,2,0,0,0,0|1,0,0]=3 396 B11R0.108 NCC(=O)N[C@@H](C(=O)O)C(C)C 1P003R9I [0,2,0,0,0,0|1,0,0]=3 397 B11R0.108 NCC(=O)N[C@@H](C(=O)O)[C@@H](O)C 1P003R9H [0,2,0,0,0,0|0,1,0]=3 398 B11R0.108 NCC(=O)N[C@H](C(=O)O)[C@H](O)C 1P003R9F [0,2,0,0,0,0|0,1,0]=3 399 B11R0.56 CCOC(=O)C(NC(=O)C)C#N 1P003QUT [0,2,0,0,0,0|1,0,1]=4 400 B11R0.56 CCOC(=O)[C@@H](NC(=O)C)CS 1P00F2RL [0,2,0,0,0,0|0,0,0]=2 401 B11R0.426 CC(C(C(=O)O)NS(=O)(=O)C)C 1P019VZM [0,2,0,0,0,0|2,0,0]=4 402 B11R0.426 CC([C@@H](C(=O)O)NS(=O)(=O)C)C 1P019SLH [0,2,0,0,0,0|2,0,0]=4 403 B11R0.25 CCC(C(=O)O)(OC(=O)C)CC 1P028OH3 [0,2,0,0,0,0|2,0,0]=4 404 B11R0.427 CC(=O)NC(C(=O)O)(C(C)C)C 1P01CAR9 [0,2,0,0,0,0|1,0,0]=3 405 B11R0.234 CC(=O)NC(C(C)(C)C)C(=O)O 1P00I4TK [0,2,0,0,0,0|1,0,0]=3 406 B11R0.234 CC(=O)NC(C(S)(C)C)C(=O)O 1P003T5I [0,2,0,0,0,0|0,0,0]=2 407 B11R0.234 CC(=O)N[C@@H](C(C)(C)C)C(=O)O 1P01C1JU [0,2,0,0,0,0|1,0,0]=3 408 B11R0.234 CC(=O)N[C@H](C(C)(C)C)C(=O)O 1P01DT9M [0,2,0,0,0,0|1,0,0]=3 409 B11R0.234 CC(=O)N[C@H](C(S)(C)C)C(=O)O 1P001OC5 [0,2,0,0,0,0|0,0,0]=2 410 B11R0.234 CC(=O)OC(C(F)(F)F)C(=O)O 1P01AGDG [0,2,0,0,0,0|2,0,0]=4 411 B11R0.234 NC(=O)NC(C(C)(C)C)C(=O)O 1P01B905 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.6 NC(=O)C1CSCCN1 1P009T23 [1,0,0,1,0,0|1,0,1]=4 413 B9R1.6 OC(=O)C1CCCC=C1 1P01A4K3 [1,0,0,1,0,0|2,0,0]=4 414 B9R1.6 OC(=O)C1CCCCN1 1P001QUT [1,0,0,1,0,0|1,0,1]=4 415 B9R1.6 OC(=O)C1CCCCN1 1P0032UQ [1,0,0,1,0,0|1,0,1]=4 416 B9R1.6 OC(=O)C1CCCNN1 1P0202D4 [1,0,0,1,0,0|2,0,0]=4 417 B9R1.6 OC(=O)C1CCCSC1 1P001SWD [1,0,0,1,0,0|1,0,1]=4 418 B9R1.6 OC(=O)C1CNCC=C1 1P028N0D [1,0,0,1,0,0|2,0,0]=4 419 B9R1.6 OC(=O)C1CNCCN1 1P002UQ4 [1,0,0,1,0,0|1,0,1]=4 420 B9R1.6 OC(=O)C1CNCCN1 1P00JKZR [1,0,0,1,0,0|1,0,1]=4 421 B9R1.6 OC(=O)C1COCCN1 1P00348D [1,0,0,1,0,0|0,1,1]=4 422 B9R1.6 OC(=O)C1COCCN1 1P00348E [1,0,0,1,0,0|0,1,1]=4 423 B9R1.6 OC(=O)C1CSCCN1 1P002KT8 [1,0,0,1,0,0|0,0,1]=3 424 B9R1.6 OC(=O)C1CSCCN1 1P005U2E [1,0,0,1,0,0|0,0,1]=3 425 B9R1.6 OC(=O)C1CSCCS1 1P019POD [1,0,0,1,0,0|1,0,1]=4 426 B9R1.6 OC(=O)C1NCCNC1 1P00I64V [1,0,0,1,0,0|1,0,1]=4 427 B9R1.6 OC(=O)[C@@H]1CCCCN1 1P0032HJ [1,0,0,1,0,0|1,0,1]=4 428 B9R1.6 OC(=O)[C@@H]1CCCCN1 1P0073ED [1,0,0,1,0,0|1,0,1]=4 429 B9R1.6 OC(=O)[C@@H]1CCCNN1 1P01DN52 [1,0,0,1,0,0|2,0,0]=4 430 B9R1.6 OC(=O)[C@@H]1CNCCN1 1P007KK0 [1,0,0,1,0,0|1,0,1]=4 431 B9R1.6 OC(=O)[C@@H]1COCCN1 1P003D2S [1,0,0,1,0,0|0,1,1]=4 432 B9R1.6 OC(=O)[C@@H]1COCCN1 1P0081DN [1,0,0,1,0,0|0,1,1]=4 433 B9R1.6 OC(=O)[C@@H]1NCCNC1 1P000T44 [1,0,0,1,0,0|1,0,1]=4 434 B9R1.6 OC(=O)[C@H]1CCCCN1 1P00C087 [1,0,0,1,0,0|1,0,1]=4 435 B9R1.6 OC(=O)[C@H]1COCCN1 1P0039ZQ [1,0,0,1,0,0|0,1,1]=4 436 B9R1.6 OC(=O)[C@H]1COCCN1 1P003CQE [1,0,0,1,0,0|0,1,1]=4 437 B9R1.6 OC(=O)[C@H]1CSCCN1 1P005OO5 [1,0,0,1,0,0|0,0,1]=3 438 B9R1.6 OC(=O)[C@H]1NCCNC1 1P001R7K [1,0,0,1,0,0|1,0,1]=4 439 B9R1.22 CCC1NC(=O)NC1=O 1P003N6V [1,0,0,1,0,0|2,0,0]=4 440 B9R1.22 NCC1NC(=O)NC1=O 1P027WB9 [1,0,0,1,0,0|2,0,0]=4 441 B9R1.22 OCC1NC(=O)NC1=O 1P00FTHD [1,0,0,1,0,0|1,1,0]=4 442 B9R1.22 OC[C@@H]1NC(=O)NC1=O 1P01A1VA [1,0,0,1,0,0|1,1,0]=4 443 B9R1.22 SCC1NC(=O)NC1=O 1P01C4JP [1,0,0,1,0,0|1,0,0]=3 444 B9R1.33 O=CCC1CCOC1=O 1P028G5I [1,0,0,1,0,0|2,0,0]=4 445 B9R1.33 O=CN[C@H]1CCNC1=O 1P02867B [1,0,0,1,0,0|2,0,0]=4 446 B9R1.35 CC1=NC(CC1)C(=O)O 1P00J6P6 [1,0,0,1,0,0|1,0,1]=4 447 B9R1.35 CC1=N[C@@H](CC1)C(=O)O 1P0286OA [1,0,0,1,0,0|1,0,1]=4 448 B9R1.35 CC1NC(CS1)C(=O)O 1P00CA8C [1,0,0,1,0,0|0,0,1]=3 449 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O 1P00ILRT [1,0,0,1,0,0|1,0,1]=4 450 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O 1P00ILRW [1,0,0,1,0,0|1,0,1]=4 451 B9R1.35 NC1=NC(CS1)C(=O)O 1P00I4MP [1,0,0,1,0,0|1,0,1]=4 452 B9R1.35 O=C1CCC(C1)C(=O)O 1P00348M [1,0,0,1,0,0|2,0,0]=4 453 B9R1.35 O=C1CCC(N1)C(=O)N 1P00D9LW [1,0,0,1,0,0|2,0,0]=4 454 B9R1.35 O=C1CCC(N1)C(=O)O 1P00IKGZ [1,0,0,1,0,0|1,0,0]=3 455 B9R1.35 O=C1CCC(N1)C(=O)[O-] 1P00DELX [1,0,0,1,0,0|1,0,1]=4 456 B9R1.35 O=C1CCC(O1)C(=O)O 1P00DC1X [1,0,0,1,0,0|2,0,0]=4 457 B9R1.35 O=C1CCC(S1)C(=O)O 1P007POJ [1,0,0,1,0,0|2,0,0]=4 458 B9R1.35 O=C1CC[C@@H](C1)C(=O)O 1P003AS5 [1,0,0,1,0,0|2,0,0]=4 459 B9R1.35 O=C1CC[C@@H](N1)C(=O)O 1P0032UR [1,0,0,1,0,0|1,0,0]=3 460 B9R1.35 O=C1CC[C@@H](O1)C(=O)O 1P0032VY [1,0,0,1,0,0|2,0,0]=4 461 B9R1.35 O=C1CC[C@H](C1)C(=O)O 1P000UI7 [1,0,0,1,0,0|2,0,0]=4 462 B9R1.35 O=C1CC[C@H](N1)C(=O)N 1P00HZJ6 [1,0,0,1,0,0|2,0,0]=4 463 B9R1.35 O=C1CC[C@H](N1)C(=O)O 1P001LSP [1,0,0,1,0,0|1,0,0]=3 464 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] 1P00BC4J [1,0,0,1,0,0|1,0,1]=4 465 B9R1.35 O=C1CC[C@H](O1)C(=O)O 1P003CY8 [1,0,0,1,0,0|2,0,0]=4 466 B9R1.35 O=C1NCC(C1)C(=O)O 1P00FAQX [1,0,0,1,0,0|2,0,0]=4 467 B9R1.35 O=C1NCC(N1)C(=O)O 1P0039CW [1,0,0,1,0,0|1,0,0]=3 468 B9R1.35 O=C1NCC(O1)C(=O)O 1P018SD3 [1,0,0,1,0,0|2,0,0]=4 469 B9R1.35 O=C1NCC(S1)C(=O)O 1P001L7F [1,0,0,1,0,0|2,0,0]=4 470 B9R1.35 O=C1NC[C@@H](C1)C(=O)O 1P00I8Q9 [1,0,0,1,0,0|2,0,0]=4 471 B9R1.35 O=C1NC[C@@H](N1)C(=O)O 1P00BV0Q [1,0,0,1,0,0|1,0,0]=3 472 B9R1.35 O=C1NC[C@H](C1)C(=O)O 1P00326A [1,0,0,1,0,0|2,0,0]=4 473 B9R1.35 O=C1NC[C@H](N1)C(=O)O 1P00CKQT [1,0,0,1,0,0|1,0,0]=3 474 B9R1.35 O=C1NC[C@H](O1)C(=O)O 1P01AV38 [1,0,0,1,0,0|2,0,0]=4 475 B9R1.35 O=C1OCC(C1)C(=O)O 1P01A1UB [1,0,0,1,0,0|1,1,0]=4 476 B9R1.35 O=C1OCC(N1)C(=O)O 1P0088G1 [1,0,0,1,0,0|0,1,0]=3 477 B9R1.35 O=C1OCC(O1)C(=O)O 1P028NUB [1,0,0,1,0,0|1,1,0]=4 478 B9R1.35 O=C1OC[C@@H](N1)C(=O)O 1P01B735 [1,0,0,1,0,0|0,1,0]=3 479 B9R1.35 O=C1OC[C@@H](O1)C(=O)O 1P02885N [1,0,0,1,0,0|1,1,0]=4 480 B9R1.35 O=C1OC[C@H](N1)C(=O)O 1P0074SL [1,0,0,1,0,0|0,1,0]=3 481 B9R1.35 O=C1SCC(C1)C(=O)O 1P002W3L [1,0,0,1,0,0|1,0,0]=3 482 B9R1.35 O=C1SC[C@H](N1)C(=O)O 1P002BG2 [1,0,0,1,0,0|0,0,0]=2 483 B9R1.35 OC(=O)[C@@H]1CSC(=S)N1 1P003CDF [1,0,0,1,0,0|0,1,0]=3 484 B9R1.35 OC(=O)c1csc(=O)[nH]1 1P01A76X [1,0,0,1,0,0|0,0,2]=4 485 B9R1.35 [O-]C(=O)C1CSC(=N1)C 1P00AP3Q [1,0,0,1,0,0|0,0,2]=4 486 B9R1.35 [O-]C(=O)C1CSC(N1)C 1P028UD2 [1,0,0,1,0,0|0,0,2]=4 487 B9R1.41 CC1CCNC1C(=O)O 1P01ACYG [1,0,0,1,0,0|1,0,1]=4 488 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O 1P0085TL [1,0,0,1,0,0|1,0,1]=4 489 B9R1.41 FC1CCNC1C(=O)O 1P01A3G9 [1,0,0,1,0,0|1,0,1]=4 490 B9R1.41 F[C@@H]1CCN[C@H]1C(=O)O 1P028KQ9 [1,0,0,1,0,0|1,0,1]=4 491 B9R1.41 F[C@H]1CCN[C@@H]1C(=O)O 1P01JULF [1,0,0,1,0,0|1,0,1]=4 492 B9R1.41 F[C@H]1CCN[C@H]1C(=O)O 1P01JUL1 [1,0,0,1,0,0|1,0,1]=4 493 B9R1.41 OC1CCNC1C(=O)O 1P00EZ92 [1,0,0,1,0,0|0,1,1]=4 494 B9R1.41 O[C@@H]1CCN[C@@H]1C(=O)O 1P00ECSY [1,0,0,1,0,0|0,1,1]=4 495 B9R1.41 O[C@@H]1CCN[C@@H]1C(=O)O 1P01JVFB [1,0,0,1,0,0|0,1,1]=4 496 B9R1.41 O[C@@H]1CCN[C@H]1C(=O)O 1P000PW4 [1,0,0,1,0,0|0,1,1]=4 497 B9R1.41 O[C@H]1CCN[C@@H]1C(=O)O 1P0039JX [1,0,0,1,0,0|0,1,1]=4 498 B9R1.41 O[C@H]1CCN[C@H]1C(=O)O 1P0026T1 [1,0,0,1,0,0|0,1,1]=4 499 B9R1.41 O[C@H]1CCN[C@H]1C(=O)O 1P00935N [1,0,0,1,0,0|0,1,1]=4 500 B9R1.41 O[C@H]1CCN[C@H]1C(=O)O 1P00DIGA [1,0,0,1,0,0|0,1,1]=4 501 B9R1.41 SC1CCCC1C(=O)O 1P007UL0 [1,0,0,1,0,0|1,0,1]=4 502 B9R1.96 CCN1CCC1C(=O)O 1P01BV6E [1,0,0,1,0,0|1,0,1]=4 503 B9R1.2 CCC1COCC(=O)N1 1P008PA4 [1,0,0,1,0,0|1,0,1]=4 504 B9R1.2 OCC1CCCC(=O)N1 1P00203X [1,0,0,1,0,0|1,0,1]=4 505 B9R1.2 OCC1CNCC(=O)N1 1P01B4N1 [1,0,0,1,0,0|1,0,1]=4 506 B9R1.2 OCC1COCC(=O)N1 1P008ZWI [1,0,0,1,0,0|0,1,1]=4 507 B9R1.2 OC[C@@H]1CCCC(=O)N1 1P000YT8 [1,0,0,1,0,0|1,0,1]=4 508 B9R1.2 OC[C@@H]1CNCC(=O)N1 1P00CG5C [1,0,0,1,0,0|1,0,1]=4 509 B9R1.2 OC[C@H]1CCCC(=O)N1 1P00734T [1,0,0,1,0,0|1,0,1]=4 510 B9R1.2 OC[C@H]1COCC(=O)N1 1P01KKEK [1,0,0,1,0,0|0,1,1]=4 511 B9R1.67 CC(=O)N[C@@H]1CC[C@H]1O 1P0285YS [1,0,0,1,0,0|1,0,1]=4 512 B9R1.67 CC(=O)OC1CCC1=O 1P01JV9M [1,0,0,1,0,0|2,0,0]=4 513 B9R1.67 CC(=O)SC1CCC1=O 1P02856B [1,0,0,1,0,0|2,0,0]=4 514 B9R1.69 O=C1CNC(=O)C(N1)C 1P00F3SO [1,0,0,1,0,0|1,0,0]=3 515 B9R1.69 O=C1CNC(=O)[C@@H](N1)C 1P00DBEA [1,0,0,1,0,0|1,0,0]=3 516 B9R1.69 O=C1COC(=O)C(N1)C 1P01A115 [1,0,0,1,0,0|0,0,0]=2 517 B9R1.69 O=C1COC(=O)C(O1)C 1P00PLCF [1,0,0,1,0,0|1,0,0]=3 518 B9R1.152 O=C1CC(C1)(C)C(=O)O 1P002WEW [1,0,0,1,0,0|1,0,0]=3 519 B9R1.152 O=C1CC(C1)(N)C(=O)O 1P028HXS [1,0,0,1,0,0|2,0,0]=4 520 B9R1.152 OC(=O)C1(C)CC(=C)C1 1P002WEX [1,0,0,1,0,0|2,0,0]=4 521 B9R1.161 NC(=O)C1CC1C(=O)O 1P00ICNA [1,0,0,1,0,0|2,0,0]=4 522 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O 1P01EEOM [1,0,0,1,0,0|2,0,0]=4 523 B9R1.161 OC(=O)C1CC1C(=O)O 1P001LR3 [1,0,0,1,0,0|2,0,0]=4 524 B9R1.161 OC(=O)[C@@H]1C[C@@H]1C(=O)O 1P00FGRG [1,0,0,1,0,0|2,0,0]=4 525 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(=O)O 1P00FHN8 [1,0,0,1,0,0|2,0,0]=4 526 B9R1.161 OC(=O)[C@H]1C[C@@H]1C(=O)O 1P001DYO [1,0,0,1,0,0|2,0,0]=4 527 B9R1.27 CCC1C(=O)CCC1=O 1P0036GP [0,0,0,1,1,0|2,0,0]=4 528 B9R1.168 CC(=O)C1(CC1)C(=O)C 1P00FEFH [0,0,0,1,1,0|2,0,0]=4 529 B9R1.168 CC(=O)C1(CC1)C(=O)O 1P00DIE3 [0,0,0,1,1,0|1,0,0]=3 530 B9R1.168 NC(=O)C1(CC1)C(=O)O 1P003ENJ [0,0,0,1,1,0|2,0,0]=4 531 B11R1.157 CC(=O)CC1CCCC(=O)N1 1P01C3MM [0,0,0,1,0,1|2,0,0]=4 532 B11R1.157 NC(=O)CC1CCCC(=O)N1 1P01AJPE [0,0,0,1,0,1|2,0,0]=4 533 B11R1.157 O=C1OCCC(C1)SC(=O)C 1P028AF1 [0,0,0,1,0,1|2,0,0]=4 534 B11R1.157 OC(=O)CC1CCCC(=O)C1 1P01DWV6 [0,0,0,1,0,1|2,0,0]=4 535 B11R1.157 OC(=O)CC1CCCC(=O)N1 1P01BB4C [0,0,0,1,0,1|1,0,0]=3 536 B11R1.645 CC(=O)N[C@H]1CC(=O)OC1=O 1P01DOTX [0,0,0,1,0,1|0,1,1]=4 537 B11R1.933 OC(=O)CC1(CC1)NC(=O)C 1P01EKO8 [0,0,0,1,0,1|1,0,0]=3 538 B11R1.166 O=C1CCC(C(C1)C)C(=O)O 1P01A3K8 [0,0,0,1,0,1|2,0,0]=4 539 B11R1.166 O=C1NCC(C(C1)C)C(=O)O 1P02919T [0,0,0,1,0,1|1,0,0]=3 540 B11R1.175 OC(=O)C1CCN(C1)C(=O)C 1P00FYEU [0,0,0,1,0,1|1,0,0]=3 541 B11R1.175 OC(=O)C1SCC(N1)C(=O)O 1P003V8L [0,0,0,1,0,1|1,0,0]=3 542 B11R1.416 CCC1(CNC(=O)C1)C(=O)O 1P0291ZX [0,0,0,1,0,1|1,0,0]=3 543 B11R1.565 O=C1CCCC(CC1)C(=O)O 1P006PNY [0,0,0,1,0,1|2,0,0]=4 544 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O 1P01BSK0 [0,1,0,1,0,0|1,0,0]=3 545 B11R1.74 O=C1CC(=O)CC(C1)C(=O)O 1P00BY8K [0,1,0,1,0,0|1,1,0]=4 546 B11R1.74 O=C1CC(=O)N[C@@H](C1)C(=O)O 1P028YV3 [0,1,0,1,0,0|0,1,0]=3 547 B11R1.74 O=C1NC(=O)N[C@@H](C1)C(=O)O 1P00IB37 [0,1,0,1,0,0|1,1,0]=4 548 B11R1.74 O=C1NC(=O)N[C@H](C1)C(=O)O 1P00ED85 [0,1,0,1,0,0|1,1,0]=4 549 B11R1.74 O=C1NC(=S)C[C@H](N1)C(=O)O 1P000JAL [0,1,0,1,0,0|1,0,1]=4 550 B11R1.178 CC(=O)N1CC=CC1C(=O)O 1P005S8K [0,1,0,1,0,0|1,0,1]=4 551 B11R1.178 CC(=O)N1CCCC1C(=O)N 1P007JYE [0,1,0,1,0,0|2,0,0]=4 552 B11R1.178 CC(=O)N1CCCC1C(=O)O 1P00855J [0,1,0,1,0,0|1,0,0]=3 553 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O 1P00E9RL [0,1,0,1,0,0|1,0,0]=3 554 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 1P007W4U [0,1,0,1,0,0|2,0,0]=4 555 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O 1P003T5R [0,1,0,1,0,0|1,0,0]=3 556 B11R1.178 CC(=O)N1CSC[C@@H]1C(=O)O 1P01CATD [0,1,0,1,0,0|0,0,0]=2 557 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O 1P00IA63 [0,1,0,1,0,0|0,0,0]=2 558 B11R1.178 NC(=O)N1CCCC1C(=O)O 1P009EFW [0,1,0,1,0,0|2,0,0]=4 559 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O 1P00CISB [0,1,0,1,0,0|2,0,0]=4 560 B11R1.497 O=C1CCCCC(N1)C(=O)O 1P00J8C4 [0,1,0,1,0,0|1,0,0]=3 561 B11R1.730 OC(=O)C1CCCS(=O)(=O)N1 1P02497Z [0,1,0,1,0,0|2,0,0]=4 562 B11R1.782 CCCC1(CC(=O)C1)C(=O)O 1P028JI1 [0,1,0,1,0,0|2,0,0]=4 563 B11R1.782 COCC1(CC(=O)C1)C(=O)O 1P028UW2 [0,1,0,1,0,0|1,1,0]=4 564 B11R1.929 CC(=O)CC1(CCC1)C(=O)O 1P01BDY3 [0,1,0,1,0,0|2,0,0]=4 565 B11R1.929 CC(=O)NC1(CCC1)C(=O)O 1P01ZZIL [0,1,0,1,0,0|1,0,0]=3 566 B11R1.21 OC(=O)C1CCN(C(=O)C1)C 1P0001C9 [0,1,0,1,0,0|2,0,0]=4 567 B11R1.21 OC(=O)[C@@H]1CCN(C(=O)C1)C 1P024S8V [0,1,0,1,0,0|2,0,0]=4 568 B11R1.21 OC(=O)[C@H]1CCN(C(=O)C1)C 1P02091O [0,1,0,1,0,0|2,0,0]=4 569 B11R1.167 O=C1CNC(=O)C(N1)C(C)C 1P001FLJ [0,1,0,1,0,0|2,0,0]=4 570 B11R1.167 O=C1CNC(=O)C(N1)C(O)C 1P01DZI7 [0,1,0,1,0,0|1,1,0]=4 571 B11R1.167 O=C1CNC(=O)[C@@H](N1)C(C)C 1P003D2Q [0,1,0,1,0,0|2,0,0]=4 572 B11R1.167 O=C1CNC(=O)[C@H](N1)C(C)C 1P003CQC [0,1,0,1,0,0|2,0,0]=4 573 B11R1.228 ClCC(=O)NC1CCSC1=O 1P00G2LL [0,1,0,1,0,0|1,1,0]=4 574 B11R1.870 COC(=O)C1CCC1C(=O)O 1P01AL35 [0,1,0,1,0,0|2,0,0]=4 575 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O 1P00LXBN [0,1,0,1,0,0|2,0,0]=4 576 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O 1P01DYF1 [0,1,0,1,0,0|2,0,0]=4 577 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O 1P01XAGM [0,1,0,1,0,0|2,0,0]=4 578 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O 1P00D0MC [0,1,0,1,0,0|2,0,0]=4 579 B11R1.1493 COC(=O)CC1(CC1)C(=O)O 1P028T1O [0,1,0,1,0,0|2,0,0]=4 580 B11R1.8 OC[C@@H]1NC(=O)CN(C1=O)C 1P001O7U [0,1,0,1,0,0|1,1,0]=4 581 B11R1.23 COC(=O)C1CCCC(=O)C1 1P000WQO [0,1,0,1,0,0|2,0,0]=4 582 B11R1.23 COC(=O)C1CCCC(=O)N1 1P00931X [0,1,0,1,0,0|1,0,0]=3 583 B11R1.23 COC(=O)C1CNCC(=O)N1 1P002NLK [0,1,0,1,0,0|1,0,0]=3 584 B11R1.23 COC(=O)C1COCC(=O)C1 1P00ILXD [0,1,0,1,0,0|1,1,0]=4 585 B11R1.23 COC(=O)[C@@H]1CCCC(=O)C1 1P00M7UK [0,1,0,1,0,0|2,0,0]=4 586 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 1P002NLJ [0,1,0,1,0,0|1,0,0]=3 587 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 1P028DOM [0,1,0,1,0,0|1,0,0]=3 588 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 1P00ANZ1 [0,1,0,1,0,0|1,0,0]=3 589 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 1P000T43 [0,1,0,1,0,0|1,0,0]=3 590 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 1P028GR7 [0,1,0,1,0,0|1,0,0]=3 591 B11R1.23 NNC(=O)C1CCCC(=O)N1 1P004CMK [0,1,0,1,0,0|2,0,0]=4 592 B11R1.884 FCC1(CC(=O)C1)C(=O)OC 1P027Y0L [0,1,0,1,0,0|2,0,0]=4 593 B11R1.159 OC(=O)C1CCCC(=O)N1C 1P01BYEY [0,1,0,1,0,0|1,0,0]=3 594 B11R1.731 OC(=O)C1CCN1S(=O)(=O)C 1P01C4RF [0,1,0,1,0,0|2,0,0]=4 595 B11R1.1052 CC[C@]1(C)NC(=O)CNC1=O 1P028ZIN [0,1,0,1,0,0|2,0,0]=4 596 B11R1.489 O=C1NC(C(C1)(C)C)C(=O)O 1P00AA4Y [0,1,0,1,0,0|1,0,0]=3 597 B11R1.489 O=C1N[C@@H](C(O1)(C)C)C(=O)O 1P029053 [0,1,0,1,0,0|2,0,0]=4 598 B11R1.489 O=C1N[C@H](C(O1)(C)C)C(=O)O 1P02830S [0,1,0,1,0,0|2,0,0]=4 599 B11R1.581 O=C1CC(C1)(C(F)F)C(=O)O 1P028U2S [0,1,0,1,0,0|2,0,0]=4 600 B11R1.732 CC(=O)[C@@H]1[C@H](C1(C)C)C(=O)O 1P0286QI [0,1,0,1,0,0|2,0,0]=4 601 B11R2.208 O=C1CNC(=O)C2(N1)CC2 1P00A84S [0,0,0,2,0,0|2,0,0]=4 602 B11R2.612 OC(=O)[C@@H]1NC(=O)[C@H]2[C@@H]1C2 1P0286T2 [0,0,0,2,0,0|1,0,0]=3 603 B11R2.530 OC(=O)C1C2C1CCC2=O 1P019UFO [0,0,0,2,0,0|2,0,0]=4 604 B7R0.16 CC(=C(C(=O)O)C)C 1P019YZ2 [1,0,0,0,1,0|1,0,1]=4 605 B7R0.16 CC(C(=O)C)C(=O)C 1P003K5P [1,0,0,0,1,0|1,0,0]=3 606 B7R0.16 CC(C(=O)N)C(=O)N 1P003I6E [1,0,0,0,1,0|2,0,0]=4 607 B7R0.16 CC(C(=O)O)C(=O)O 1P003SKU [1,0,0,0,1,0|1,0,0]=3 608 B7R0.16 CC(C(=O)O)C(C)C 1P007ZPC [1,0,0,0,1,0|1,0,1]=4 609 B7R0.16 CC(C(=O)O)C(N)C 1P01AV78 [1,0,0,0,1,0|1,0,1]=4 610 B7R0.16 CC(C(=O)O)N(C)C 1P00ADBV [1,0,0,0,1,0|2,0,0]=4 611 B7R0.16 CC(C(=O)[O-])C(=O)[O-] 1P00E37J [1,0,0,0,1,0|1,0,1]=4 612 B7R0.16 CC(C(=O)[O-])C(=O)[O-] 1P01XCPB [1,0,0,0,1,0|1,0,1]=4 613 B7R0.16 CC(C(C(=O)O)C)O 1P00DDYP [1,0,0,0,1,0|0,0,2]=4 614 B7R0.16 CN(C(=O)C)C(=O)C 1P003TO0 [1,0,0,0,1,0|2,0,0]=4 615 B7R0.16 CN(C(=O)Cl)C(=O)C 1P01ENAP [1,0,0,0,1,0|2,0,0]=4 616 B7R0.16 CP(=O)C(C(=O)O)O 1P006ECW [1,0,0,0,1,0|1,1,0]=4 617 B7R0.16 C[C@@H](C(=O)O)C(C)C 1P002VES [1,0,0,0,1,0|1,0,1]=4 618 B7R0.16 C[C@@H](C(=O)O)N(C)C 1P001XKS [1,0,0,0,1,0|2,0,0]=4 619 B7R0.16 C[C@@H](C(=O)O)N(C)C 1P00BHJU [1,0,0,0,1,0|2,0,0]=4 620 B7R0.16 C[C@H](C(=O)O)C(C)C 1P001N9S [1,0,0,0,1,0|1,0,1]=4 621 B7R0.16 C[C@H](C(=O)O)N(C)C 1P001PX5 [1,0,0,0,1,0|2,0,0]=4 622 B7R0.16 C[C@H](C(=O)O)N(C)C 1P00J3DF [1,0,0,0,1,0|2,0,0]=4 623 B7R0.16 ClC(C(=O)C)C(=O)C 1P003442 [1,0,0,0,1,0|2,0,0]=4 624 B7R0.16 FC(C(=O)O)C(=O)O 1P00717X [1,0,0,0,1,0|2,0,0]=4 625 B7R0.16 NC(C(=O)C)C(=O)C 1P01A8FL [1,0,0,0,1,0|2,0,0]=4 626 B7R0.16 NC(C(=O)O)C(=O)O 1P0083BN [1,0,0,0,1,0|2,0,0]=4 627 B7R0.16 OC(C(=O)O)C(=O)O 1P003HWB [1,0,0,0,1,0|1,1,0]=4 628 B7R0.16 SC(C(=O)O)C(C)C 1P0019CW [1,0,0,0,1,0|1,0,1]=4 629 B9R0.7 CC(=O)CCC(C(=O)O)N 1P01A0WV [1,0,0,0,0,1|2,0,0]=4 630 B9R0.7 CC(=O)OC[C@@H](C(=O)O)C 1P029338 [1,0,0,0,0,1|1,0,0]=3 631 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N 1P003TW5 [1,0,0,0,0,1|2,0,0]=4 632 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N 1P00DDM1 [1,0,0,0,0,1|2,0,0]=4 633 B9R0.7 CC(=O)OC[C@H](C(=O)O)N 1P00C4VL [1,0,0,0,0,1|2,0,0]=4 634 B9R0.7 CC(=O)SC[C@@H](C(=O)O)N 1P00FCOW [1,0,0,0,0,1|2,0,0]=4 635 B9R0.7 NC(=O)NC[C@@H](C(=O)O)N 1P001G1Y [1,0,0,0,0,1|2,0,0]=4 636 B9R0.7 OC(=O)CC[C@H](C(=O)O)C 1P003CM1 [1,0,0,0,0,1|2,0,0]=4 637 B9R0.7 OC(=O)CNC(C(=O)O)C 1P00C9CS [1,0,0,0,0,1|1,0,0]=3 638 B9R0.7 OC(=O)CN[C@H](C(=O)O)C 1P00EL0F [1,0,0,0,0,1|1,0,0]=3 639 B9R0.53 CC(CC(=O)O)CC(=O)O 1P003K80 [1,0,0,0,0,1|2,0,0]=4 640 B9R0.53 CC(CC(=O)O)NC(C)C 1P001TB9 [1,0,0,0,0,1|1,0,1]=4 641 B9R0.53 CC(OC(=O)C)OC(=O)C 1P00DANR [1,0,0,0,0,1|2,0,0]=4 642 B9R0.53 OC(=O)CC(NC(=O)C)C 1P0012TC [1,0,0,0,0,1|0,0,0]=2 643 B9R0.53 OC(=O)CC(NC(=O)N)C 1P01B2PT [1,0,0,0,0,1|1,0,0]=3 644 B11R0.143 ClC[C@@H](OC(=O)C)CNC(=O)C 1P0076CS [0,0,0,0,0,2|2,0,0]=4