0 B9R0.7 C(CC(=O)N)C(C(=O)O)N PI-15754 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.7 C(CC(=O)N)C(C(=O)O)N PI-15955 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.7 C(CC(=O)O)C(=O)C(=O)O PI-34101 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.7 C(CC(=O)O)C(C(=O)O)N PI-10055 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.7 C(CC(=O)O)C(C(=O)O)N PI-15753 [0,0,0,0,0,0|1,0,0]=1 5 B9R0.7 C(CC(=O)[O-])C(=O)C(=O)[O-] PI-50414 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.7 CC(=O)SC[C@@H](C(=O)O)C PI-32348 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.7 CS(=O)CCC(C(=O)O)N PI-17903 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.7 NC(=O)NC[C@H](N)C(=O)O PI-27194 [0,0,0,0,0,0|1,0,0]=1 9 B9R0.7 N[C@@H](CCC(C)C)C(O)=O PI-37204 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.7 OC(=O)CCC(=O)C(=O)[O-] PI-13145 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.8 C(CC(C(=O)O)N)CN PI-15758 [1,0,0,0,0,0|0,0,1]=2 12 B8R0.8 C(CC(C(=O)O)N)CN PI-42140 [1,0,0,0,0,0|0,0,1]=2 13 B8R0.8 CCCCC(C(=O)O)Br PI-44233 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.8 CSCCC(C(=O)O)N PI-16565 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.8 C[Se]CC[C@H](N)C(=O)O PI-31833 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.8 N[C@@H](COCN)C(=O)O PI-13094 [1,0,0,0,0,0|1,0,1]=3 17 B8R0.8 N[C@H](C(=O)O)CCCN PI-31147 [1,0,0,0,0,0|0,0,1]=2 18 B8R0.28 C(C(=O)N)SCC(=O)N PI-29144 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.28 C(CC(=O)Cl)CC(=O)Cl PI-46857 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.28 CC(=O)CCCC(=O)C PI-42581 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.28 CC(=O)NCCC(=O)O PI-26539 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.28 CN(C)CCCC(=O)O PI-29854 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.28 NC(=N)NCCC(=O)O PI-11247 [1,0,0,0,0,0|2,0,0]=3 24 B10R0.43 O=C(O)C(C)(C)CCC(O)=O PI-37344 [0,1,0,0,0,0|2,0,0]=3 25 B10R0.57 O=C(OC)[C@H](N)CCC(N)=O PI-15956 [0,1,0,0,0,0|0,0,0]=1 26 B10R0.82 COC(=O)CCC(C(=O)O)N PI-25180 [0,1,0,0,0,0|1,0,0]=2 27 B10R0.84 CNC(CCC(=O)O)C(=O)O PI-43843 [0,1,0,0,0,0|1,0,0]=2 28 B10R0.92 C(CS(=O)(=O)O)C(C(=O)O)N PI-47158 [0,1,0,0,0,0|2,0,0]=3 29 B10R0.92 CS(=O)(=O)CCC(C(=O)O)N PI-17858 [0,1,0,0,0,0|2,0,0]=3 30 B10R0.92 CS(=O)(=O)CCC(C(=O)O)N PI-29888 [0,1,0,0,0,0|2,0,0]=3 31 B10R0.93 C(C(C(=O)O)N)C(C(=O)O)F PI-19979 [0,1,0,0,0,0|1,0,0]=2 32 B10R1.13 NC1CCC(CC1)C(=O)O PI-17553 [0,0,0,1,0,0|2,0,1]=4 33 B10R1.13 NC1CCC(CC1)C(=O)O PI-36878 [0,0,0,1,0,0|2,0,1]=4 34 B8R0.23 C(C(C(=O)O)Cl)C(=O)O PI-28489 [0,0,0,0,1,0|2,0,0]=3 35 B8R0.23 C(C(C(=O)O)Cl)C(=O)O PI-28518 [0,0,0,0,1,0|2,0,0]=3 36 B8R0.23 CC(C(CC(=O)O)N)O PI-43592 [0,0,0,0,1,0|2,0,1]=4 37 B8R0.23 CC(C)CC(C(=O)O)N PI-14720 [0,0,0,0,1,0|2,0,1]=4 38 B8R0.23 CC(C)CC(N)C(=O)O PI-25447 [0,0,0,0,1,0|2,0,1]=4 39 B8R0.23 CC(NC(C)=O)C(O)=O PI-26061 [0,0,0,0,1,0|3,0,0]=4 40 B8R0.23 CN(C)CC(C(=O)O)N PI-14917 [0,0,0,0,1,0|3,0,0]=4 41 B8R0.23 C[C@@H](CC(=O)O)C(=O)O PI-48298 [0,0,0,0,1,0|2,0,0]=3 42 B8R0.23 N[C@H](C(=O)O)CC(C)C PI-15734 [0,0,0,0,1,0|2,0,1]=4 43 B8R0.23 O=C(O)C(CC(O)=O)=S PI-41173 [0,0,0,0,1,0|2,0,1]=4 44 B8R0.23 O=C(O)[C@H](N)CC(O)=O PI-13091 [0,0,0,0,1,0|1,0,0]=2 45 B8R0.23 OC(=O)CC(=O)C(=O)O PI-25448 [0,0,0,0,1,0|2,0,1]=4 46 B8R0.23 OC(=O)CC(C(=O)O)C PI-25606 [0,0,0,0,1,0|2,0,0]=3 47 B8R0.23 [C@H](N)(CS(C)=O)C(O)=O PI-42226 [0,0,0,0,1,0|2,0,0]=3 48 B10R0.96 C(CC(=O)O)C(CC(=O)O)N PI-43828 [0,0,0,0,0,1|1,0,0]=2 49 B10R0.98 C(CC(C(=O)O)N)CC(=O)O PI-17860 [0,0,0,0,0,1|1,0,0]=2 50 B10R0.98 CN(C)CCCC(C(=O)O)N PI-45004 [0,0,0,0,0,1|3,0,0]=4 51 B10R0.98 O=C(O)C(CCCC(O)=O)=O PI-40489 [0,0,0,0,0,1|2,0,1]=4 52 B10R0.98 OC(=O)CCC[C@@H](C(=O)O)N PI-27075 [0,0,0,0,0,1|1,0,0]=2 53 B10R0.98 OC(=O)CCC[C@H](C(=O)O)N PI-14324 [0,0,0,0,0,1|1,0,0]=2 54 B10R0.98 OC(=O)CSC[C@@H](C(=O)O)N PI-12973 [0,0,0,0,0,1|1,0,0]=2 55 B7R0.4 BrCCCCC(=O)O PI-11341 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.4 C#CCCCC(O)=O PI-37286 [2,0,0,0,0,0|1,0,1]=4 57 B7R0.4 C(CNCC(=O)O)N PI-47160 [2,0,0,0,0,0|1,0,1]=4 58 B7R0.4 NCCCCC(=O)O PI-30804 [2,0,0,0,0,0|0,0,1]=3 59 B7R0.4 O=C(O)CNCC=C PI-37297 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.4 OC(=O)CCCCN PI-40783 [2,0,0,0,0,0|0,0,1]=3 61 B7R0.5 C#CCC(C(=O)O)N PI-43612 [2,0,0,0,0,0|0,0,2]=4 62 B7R0.5 C#CCC(C(=O)O)N PI-43896 [2,0,0,0,0,0|0,0,2]=4 63 B7R0.5 C(CN)C(C(=O)O)N PI-18265 [2,0,0,0,0,0|0,0,0]=2 64 B7R0.5 C(CN)C(C(=O)O)N PI-18421 [2,0,0,0,0,0|0,0,0]=2 65 B7R0.5 C(CN)C(C(=O)O)N PI-45534 [2,0,0,0,0,0|0,0,0]=2 66 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [2,0,0,0,0,0|1,0,0]=3 67 B7R0.5 C=CCC(C(=O)O)N PI-43236 [2,0,0,0,0,0|0,0,1]=3 68 B7R0.5 C=CCC(C(=O)O)N PI-43396 [2,0,0,0,0,0|0,0,1]=3 69 B7R0.5 CC(C(=O)O)NC=O PI-33235 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.5 CCCC(C(=O)O)Br PI-44608 [2,0,0,0,0,0|1,0,1]=4 71 B7R0.5 CCCC(C(=O)O)N PI-13494 [2,0,0,0,0,0|0,0,1]=3 72 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [2,0,0,0,0,0|0,0,1]=3 73 B7R0.5 COCC(C(=O)O)N PI-14934 [2,0,0,0,0,0|1,0,1]=4 74 B7R0.5 COCC(C(=O)O)N PI-14935 [2,0,0,0,0,0|1,0,1]=4 75 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [2,0,0,0,0,0|1,0,1]=4 76 B7R0.5 NC(CC=C)C(O)=O PI-29913 [2,0,0,0,0,0|0,0,1]=3 77 B7R0.5 NC(CCBr)C(=O)O PI-36244 [2,0,0,0,0,0|1,0,0]=3 78 B7R0.5 NC(CCO)C(O)=O PI-41434 [2,0,0,0,0,0|0,0,1]=3 79 B7R0.5 NC(CCS)C(=O)O PI-27603 [2,0,0,0,0,0|0,1,0]=3 80 B7R0.5 NCCC(C(=O)O)N PI-27828 [2,0,0,0,0,0|0,0,0]=2 81 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [2,0,0,0,0,0|0,1,0]=3 82 B7R0.5 N[C@H](C(=O)O)CCBr PI-40811 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [2,0,0,0,0,0|1,0,1]=4 84 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [2,0,0,0,0,0|0,0,1]=3 85 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [2,0,0,0,0,0|0,0,1]=3 86 B9R0.8 COC(=O)C(CCSC)N PI-25385 [1,1,0,0,0,0|2,0,0]=4 87 B9R0.8 COC(=O)C(CCSC)N PI-44538 [1,1,0,0,0,0|2,0,0]=4 88 B9R0.13 CCCCC(C(=O)O)NC PI-43569 [1,1,0,0,0,0|1,0,1]=4 89 B9R0.13 CNC(CCCN)C(=O)O PI-43554 [1,1,0,0,0,0|0,0,1]=3 90 B9R0.13 CNC(CCCN)C(=O)O PI-43900 [1,1,0,0,0,0|0,0,1]=3 91 B9R0.47 C(CCN)CC(C(=O)O)N PI-14281 [1,1,0,0,0,0|0,0,1]=3 92 B9R0.47 CCCCCC(N)C(=O)O PI-17287 [1,1,0,0,0,0|1,0,1]=4 93 B9R0.47 CCSCCC(C(=O)O)N PI-38397 [1,1,0,0,0,0|1,0,1]=4 94 B9R0.47 NCCCC[C@@H](N)C(=O)O PI-14280 [1,1,0,0,0,0|0,0,1]=3 95 B9R0.47 NCCCC[C@H](C(=O)O)N PI-22775 [1,1,0,0,0,0|0,0,1]=3 96 B9R0.47 O=C(O)[C@@H](N)CCCCN PI-41533 [1,1,0,0,0,0|0,0,1]=3 97 B9R0.1 CC(=O)NCCC(=O)OC PI-33249 [1,1,0,0,0,0|2,0,0]=4 98 B9R0.1 COC(=O)CCCC(=O)O PI-39132 [1,1,0,0,0,0|1,0,0]=3 99 B9R0.53 CC(CC(=O)O)CC(=O)O PI-39477 [1,1,0,0,0,0|1,0,0]=3 100 B9R0.53 NC(CC(O)=O)CC(O)=O PI-37138 [1,1,0,0,0,0|1,0,0]=3 101 B9R0.56 OC(=O)CCCS(=O)(=O)N PI-26215 [1,1,0,0,0,0|1,0,0]=3 102 B9R0.11 C(C(=O)O)C(C(=O)O)(F)F PI-21241 [0,1,0,0,1,0|2,0,0]=4 103 B9R0.39 CNC(CC(=O)O)C(=O)O PI-35775 [0,1,0,0,1,0|1,0,0]=3 104 B9R0.39 CN[C@@H](C(=O)O)CC(=O)O PI-27816 [0,1,0,0,1,0|1,0,0]=3 105 B9R0.57 OC(=O)[C@H](CS(=O)(=O)O)N PI-27373 [0,1,0,0,1,0|2,0,0]=4 106 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O PI-15692 [0,1,0,0,1,0|2,0,0]=4 107 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O PI-25538 [0,1,0,0,1,0|2,0,0]=4 108 B9R0.79 C(C(C(=O)O)S)(C(=O)O)S PI-13449 [0,1,0,0,1,0|2,0,0]=4 109 B11R0.109 COC(=O)CCCC(C(=O)O)N PI-34610 [0,1,0,0,0,1|1,0,0]=3 110 B11R0.120 COC(=O)CCC(C(=O)OC)N PI-20694 [0,2,0,0,0,0|1,0,0]=3 111 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O PI-15368 [0,2,0,0,0,0|0,0,0]=2 112 B11R0.141 CCOC(=O)CCC(C(=O)O)N PI-19054 [0,2,0,0,0,0|1,0,0]=3 113 B11R0.302 CCS(=O)(=O)CCC(C(=O)O)N PI-19030 [0,2,0,0,0,0|2,0,0]=4 114 B9R1.6 C1CC(CC=C1)C(=O)O PI-41428 [1,0,0,1,0,0|2,0,0]=4 115 B9R1.6 C1CC(CNC1)C(=O)O PI-21884 [1,0,0,1,0,0|1,0,1]=4 116 B9R1.6 C1CC(CNC1)C(=O)O PI-25607 [1,0,0,1,0,0|1,0,1]=4 117 B9R1.6 C1CCNC(C1)C(=O)O PI-16483 [1,0,0,1,0,0|1,0,1]=4 118 B9R1.6 OC(=O)C1CCCCN1 PI-16286 [1,0,0,1,0,0|1,0,1]=4 119 B9R1.6 OC(=O)[C@@H]1CCC=CC1 PI-41429 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.6 OC(=O)[C@@H]1CCCCN1 PI-10137 [1,0,0,1,0,0|1,0,1]=4 121 B9R1.6 OC(=O)[C@H]1CCCCN1 PI-10136 [1,0,0,1,0,0|1,0,1]=4 122 B9R1.6 OC(=O)[C@H]1CCCNC1 PI-21885 [1,0,0,1,0,0|1,0,1]=4 123 B9R1.35 C1C(N=C(S1)N)C(=O)O PI-12060 [1,0,0,1,0,0|1,0,1]=4 124 B9R1.35 C1C(NC(=O)S1)C(=O)O PI-47157 [1,0,0,1,0,0|1,0,0]=3 125 B9R1.35 C1CC(=O)NC1C(=O)O PI-10056 [1,0,0,1,0,0|0,0,0]=2 126 B9R1.35 C1CC(CC1C(=O)O)N PI-17015 [1,0,0,1,0,0|1,0,1]=4 127 B9R1.35 O=C1CCC(C1)C(=O)O PI-34867 [1,0,0,1,0,0|1,0,0]=3 128 B9R1.35 O=C1CC[C@H](N1)C(=O)O PI-33313 [1,0,0,1,0,0|0,0,0]=2 129 B9R1.35 O=C1CC[C@H](O1)C(=O)O PI-39065 [1,0,0,1,0,0|1,0,0]=3 130 B9R1.35 O=C1CNC(C1)C(=O)O PI-36300 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.69 C1CC(=O)NC(=O)C1N PI-40871 [1,0,0,1,0,0|1,0,0]=3 132 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43724 [1,0,0,1,0,0|1,0,1]=4 133 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43790 [1,0,0,1,0,0|1,0,1]=4 134 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43791 [1,0,0,1,0,0|1,0,1]=4 135 B9R1.112 C1CC1CC(C(=O)O)N PI-43446 [1,0,0,1,0,0|1,0,1]=4 136 B9R1.112 N[C@H](C(=O)O)CC1CC1 PI-21863 [1,0,0,1,0,0|1,0,1]=4 137 B9R1.163 C1CCC(C1)(C(=O)O)N PI-30681 [1,0,0,1,0,0|1,0,1]=4 138 B9R1.163 CC1(CCCN1)C(=O)O PI-41289 [1,0,0,1,0,0|1,0,1]=4 139 B9R1.163 O=C(C1(N)COCC1)O PI-40281 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.163 OC(=O)[C@]1(C)CCCN1 PI-41288 [1,0,0,1,0,0|1,0,1]=4 141 B9R1.1 O=CC1CCC(CC1)=O PI-36571 [1,0,0,1,0,0|2,0,0]=4 142 B9R1.53 CC(=O)OC1CC(=O)N1 PI-24294 [1,0,0,1,0,0|2,0,0]=4 143 B11R1.708 C1C(C(N1)C(=O)O)CC(=O)O PI-25277 [0,1,0,1,0,0|1,0,0]=3 144 B11R1.1389 C1C(CC1(C(=O)O)N)C(=O)O PI-17991 [0,1,0,1,0,0|1,0,0]=3 145 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [1,0,0,0,1,0|1,0,1]=4 146 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [1,0,0,0,1,0|1,0,1]=4 147 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O PI-41044 [0,0,0,0,2,0|1,0,1]=4 148 B9R0.4 CSCCC(CC(=O)O)N PI-43861 [1,0,0,0,0,1|2,0,0]=4 149 B9R0.55 CC(=O)NCCCC(=O)O PI-26540 [1,0,0,0,0,1|1,0,0]=3 150 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N PI-13090 [0,0,0,0,0,2|1,0,0]=3 151 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N PI-13123 [0,0,0,0,0,2|1,0,0]=3 152 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N PI-13135 [0,0,0,0,0,2|1,0,0]=3 153 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N PI-14319 [0,0,0,0,0,2|1,0,0]=3 154 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N PI-14322 [0,0,0,0,0,2|1,0,0]=3 155 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N PI-15746 [0,0,0,0,0,2|1,0,0]=3 156 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N PI-45793 [0,0,0,0,0,2|1,0,0]=3 157 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N PI-42602 [0,0,0,0,0,2|0,0,0]=2 158 B11R0.29 C(CC[N+](=O)[O-])CC(C(=O)O)N PI-42507 [0,0,0,0,0,2|2,0,0]=4 159 B11R0.29 NC(=N)NCCCC(C(=O)O)N PI-38978 [0,0,0,0,0,2|1,0,0]=3 160 B11R0.29 NC(=N)NCCC[C@H](N)C(=O)O PI-15747 [0,0,0,0,0,2|1,0,0]=3 161 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O PI-31172 [0,0,0,0,0,2|0,0,0]=2 162 B11R0.29 OC(=O)CCCCC(N)C(=O)O PI-27809 [0,0,0,0,0,2|1,0,0]=3