0 B9R0.39 CC(=O)NC(CO)C(=O)O HR143966 [0,0,0,0,0,0|0,1,0]=1 1 B9R0.39 CC(=O)NC(CS)C(=O)O HR137549 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.39 CCC(CC(=O)O)C(=O)O HR109137 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.39 CNC(CC(=O)O)C(=O)O HR135615 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.39 CNC(CC(=O)O)C(=O)O HR139312 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.23 CC(=O)NC(C)C(=O)O HR123754 [1,0,0,0,0,0|0,0,0]=1 6 B8R0.23 CC(=O)NC(C)C(=O)O HR130455 [1,0,0,0,0,0|0,0,0]=1 7 B8R0.23 CC(=O)NC(C)C(=O)O HR139475 [1,0,0,0,0,0|0,0,0]=1 8 B8R0.23 CC(=O)NC(C)C(N)=O HR123489 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.23 CC(=O)OC(C)C(=O)Cl HR134862 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.23 CC(=O)OC(C)C(=O)O HR114068 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.23 CC(=O)OC(C)C(=O)O HR117573 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.23 CC(=O)OC(C)C(C)=O HR135424 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.23 CC(CC(=O)O)C(=O)O HR106543 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.23 CC(CC(=O)O)C(=O)O HR134361 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.23 CS(=O)CC(N)C(=O)O HR134447 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.23 C\C(=C/C(=O)O)C(=O)O HR122671 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.23 C\C(=C/C(=O)O)C(=O)O HR122936 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.23 NC(=O)CC(N)C(=O)O HR128740 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.23 NC(=O)CC(N)C(=O)O HR129004 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.23 NC(=O)CC(N)C(=O)O HR129935 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.23 NC(=O)CC(N)C(=O)O HR133228 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.23 NC(=O)CC(N)C(=O)O HR133501 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.23 NC(CC(=O)O)C(=O)O HR126814 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.23 NC(CC(=O)O)C(=O)O HR135475 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.23 NC(CC(=O)O)C(=O)O TECQ02802 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.23 NC(CC(=O)[O-])C(=O)O HR125029 [1,0,0,0,0,0|3,0,0]=4 27 B8R0.23 O=C(O)CC(Br)C(=O)O HR127726 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.23 O=C(O)CC(Br)C(=O)O HR127823 [1,0,0,0,0,0|3,0,0]=4 29 B8R0.23 O=C(O)CC(Cl)C(=O)O HR109410 [1,0,0,0,0,0|3,0,0]=4 30 B8R0.23 O=C(O)CC(O)C(=O)O HR129431 [1,0,0,0,0,0|2,1,0]=4 31 B8R0.23 O=C(O)CC(O)C(=O)O HR131010 [1,0,0,0,0,0|2,1,0]=4 32 B8R0.23 O=C(O)CC(O)C(=O)O HR135274 [1,0,0,0,0,0|2,1,0]=4 33 B8R0.23 O=C(O)CC(O)C(=O)O HR7917 [1,0,0,0,0,0|2,1,0]=4 34 B8R0.23 O=C(O)CC(S)C(=O)O HR123669 [1,0,0,0,0,0|2,0,0]=3 35 B10R0.23 CCCC(NC(C)=O)C(=O)O HR140759 [0,1,0,0,0,0|1,0,0]=2 36 B10R0.23 CCCC(NC(C)=O)C(=O)O HR141047 [0,1,0,0,0,0|1,0,0]=2 37 B10R0.23 COCC(NC(C)=O)C(=O)O HR115174 [0,1,0,0,0,0|0,1,0]=2 38 B10R0.54 COC(=O)C(CCl)NC(C)=O HR114749 [0,1,0,0,0,0|1,0,0]=2 39 B10R0.162 CC(=O)NC(C(=O)O)C(C)C HR113855 [0,1,0,0,0,0|1,0,0]=2 40 B10R0.162 CC(=O)NC(C(=O)O)C(C)C HR124023 [0,1,0,0,0,0|1,0,0]=2 41 B10R0.162 CC(=O)NC(C(=O)O)C(C)C HR125852 [0,1,0,0,0,0|1,0,0]=2 42 B10R0.162 CC(=O)NC(C(=O)O)C(C)O HR145129 [0,1,0,0,0,0|0,1,0]=2 43 B10R1.64 CC(=O)NC1CCSC1=O HR121875 [0,0,0,1,0,0|1,1,0]=3 44 B10R1.64 CC(=O)NC1CCSC1=O HR125661 [0,0,0,1,0,0|1,1,0]=3 45 B10R1.113 CC1CCCC(C(=O)O)N1 HR114833 [0,0,0,1,0,0|2,0,1]=4 46 B10R1.113 O=C1CC(C(=O)O)CCN1 HR148708 [0,0,0,1,0,0|3,0,0]=4 47 B10R1.113 O=C1CCCC(C(=O)O)C1 HR112017 [0,0,0,1,0,0|2,0,0]=3 48 B10R1.113 O=C1CCCC(C(=O)O)N1 HR105564 [0,0,0,1,0,0|1,0,0]=2 49 B10R1.113 O=C1CCCC(C(=O)O)N1 HR121169 [0,0,0,1,0,0|1,0,0]=2 50 B10R1.113 O=C1CCCC(C(=O)O)N1 HR149427 [0,0,0,1,0,0|1,0,0]=2 51 B10R1.113 O=C1CCNC(C(=O)O)C1 HR114863 [0,0,0,1,0,0|3,0,0]=4 52 B10R1.113 O=C1CCNC(C(=O)O)C1 HR150929 [0,0,0,1,0,0|3,0,0]=4 53 B8R0.18 CC(C)C(CN)C(=O)O HR100533 [0,0,0,0,1,0|2,0,1]=4 54 B8R0.18 CCC(C(=O)Cl)C(=O)Cl HR146960 [0,0,0,0,1,0|3,0,0]=4 55 B8R0.18 CCC(C(=O)O)C(=O)O HR127056 [0,0,0,0,1,0|2,0,0]=3 56 B8R0.18 CCC(C(=O)O)C(=O)O HR137115 [0,0,0,0,1,0|2,0,0]=3 57 B7R0.5 C=CCC(C)C(=O)O HR143156 [2,0,0,0,0,0|1,0,1]=4 58 B7R0.5 CCCC(C)C(=O)O HR131664 [2,0,0,0,0,0|1,0,1]=4 59 B7R0.15 CCC(CC)C(=O)O HR140709 [2,0,0,0,0,0|1,0,1]=4 60 B7R0.15 CNC(CO)C(=O)O HR112824 [2,0,0,0,0,0|0,1,0]=3 61 B7R0.15 CNC(CS)C(=O)O HR116844 [2,0,0,0,0,0|0,0,0]=2 62 B7R0.2 CC(=O)NC(=O)CN HR100710 [2,0,0,0,0,0|1,0,1]=4 63 B7R0.6 CC(=O)CCC(=O)O HR127576 [2,0,0,0,0,0|1,0,0]=3 64 B7R0.6 CC(=O)CCC(=O)[O-] HR143916 [2,0,0,0,0,0|1,0,1]=4 65 B7R0.6 CC(=O)CCC(C)=O HR125376 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.6 CC(=O)CNC(C)=O HR146276 [2,0,0,0,0,0|1,0,0]=3 67 B7R0.6 CC(=O)COC(C)=O HR123551 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.6 CC(=O)NCC(=O)O HR138579 [2,0,0,0,0,0|0,0,0]=2 69 B7R0.6 CC(=O)NNC(C)=O HR131799 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.6 CC(=O)OCC(=O)Cl HR135462 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.6 CC(=O)OCC(=O)O HR120464 [2,0,0,0,0,0|1,0,0]=3 72 B7R0.6 CC(C)=CCC(=O)O HR108591 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.6 N=C(N)NCC(=O)O HR123411 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.6 O=C(O)CCC(=O)O HR128111 [2,0,0,0,0,0|2,0,0]=4 75 B7R0.6 O=C(O)CCC(=O)O HR135208 [2,0,0,0,0,0|2,0,0]=4 76 B9R0.33 CC(C)C(NC=O)C(=O)O HR118254 [1,1,0,0,0,0|1,0,0]=3 77 B9R0.33 CCNC(C(=O)O)C(C)C HR145030 [1,1,0,0,0,0|1,0,1]=4 78 B9R0.11 CC(=O)OC(C)(C)C(=O)Br HR130172 [1,1,0,0,0,0|2,0,0]=4 79 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl HR130441 [1,1,0,0,0,0|2,0,0]=4 80 B9R0.11 CC(C)(CC(=O)O)C(=O)O HR131080 [1,1,0,0,0,0|2,0,0]=4 81 B9R0.11 CC(N)(CC(=O)O)C(=O)O HR139226 [1,1,0,0,0,0|2,0,0]=4 82 B9R0.11 CC(N)(CC(=O)O)C(=O)O HR144261 [1,1,0,0,0,0|2,0,0]=4 83 B9R0.11 CC(N)(CC(=O)O)C(=O)O HR144355 [1,1,0,0,0,0|2,0,0]=4 84 B9R0.11 CC(O)(CC(=O)O)C(=O)O HR101544 [1,1,0,0,0,0|2,0,0]=4 85 B9R0.23 C=C(NC(C)=O)C(=O)OC HR115634 [1,1,0,0,0,0|0,0,2]=4 86 B9R0.42 C=CC(=O)NC(O)C(=O)O HR145509 [1,1,0,0,0,0|0,1,1]=4 87 B9R0.42 COC(=O)CC(C)C(=O)O HR145793 [1,1,0,0,0,0|1,0,0]=3 88 B9R0.42 COC(=O)CC(C)C(=O)O HR145794 [1,1,0,0,0,0|1,0,0]=3 89 B9R0.42 COC(=O)CC(N)C(=O)O HR126403 [1,1,0,0,0,0|2,0,0]=4 90 B9R0.42 COC(=O)CC(N)C(=O)O HR133636 [1,1,0,0,0,0|2,0,0]=4 91 B9R0.42 COC(=O)CC(N)C(=O)O HR144163 [1,1,0,0,0,0|2,0,0]=4 92 B9R0.79 CC(C(=O)O)C(N)C(=O)O HR10166 [1,1,0,0,0,0|2,0,0]=4 93 B9R0.79 O=C(O)C(S)C(S)C(=O)O HR126227 [1,1,0,0,0,0|2,0,0]=4 94 B9R0.54 CC(C)C(C(=O)O)C(=O)O HR127468 [0,1,0,0,1,0|2,0,0]=4 95 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O HR134004 [0,1,0,0,0,1|0,1,1]=4 96 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O HR136523 [0,1,0,0,0,1|0,1,1]=4 97 B11R0.115 CCC(C)C(NC(C)=O)C(=O)O HR144796 [0,2,0,0,0,0|1,0,0]=3 98 B11R0.160 CSCCC(NC(C)=O)C(=O)O HR122488 [0,2,0,0,0,0|0,0,0]=2 99 B11R0.160 CSCCC(NC(C)=O)C(=O)O HR134970 [0,2,0,0,0,0|0,0,0]=2 100 B11R0.160 CSCCC(NC(C)=O)C(=O)O HR146986 [0,2,0,0,0,0|0,0,0]=2 101 B11R0.160 CSCCC(NC(C)=O)C(N)=O HR106269 [0,2,0,0,0,0|1,0,0]=3 102 B11R0.108 CC(C)C(NC(=O)CN)C(=O)O HR122709 [0,2,0,0,0,0|1,0,0]=3 103 B11R0.108 COC(=O)NC(C(=O)O)C(C)C RAXF02306 [0,2,0,0,0,0|1,0,0]=3 104 B11R0.56 CCOC(=O)C(C#N)NC(C)=O HR135377 [0,2,0,0,0,0|1,0,1]=4 105 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)S HR139838 [0,2,0,0,0,0|0,0,0]=2 106 B9R1.6 O=C(O)C1CCCCN1 HR116043 [1,0,0,1,0,0|1,0,1]=4 107 B9R1.6 O=C(O)C1CCCCN1 HR122879 [1,0,0,1,0,0|1,0,1]=4 108 B9R1.6 O=C(O)C1CCCCN1 HR132254 [1,0,0,1,0,0|1,0,1]=4 109 B9R1.6 O=C(O)C1CCCCN1 HR136021 [1,0,0,1,0,0|1,0,1]=4 110 B9R1.6 O=C(O)C1CCCCN1 HR136802 [1,0,0,1,0,0|1,0,1]=4 111 B9R1.6 O=C(O)C1CCCCN1 HR138030 [1,0,0,1,0,0|1,0,1]=4 112 B9R1.6 O=C(O)C1CCCCN1 HR145800 [1,0,0,1,0,0|1,0,1]=4 113 B9R1.6 O=C(O)C1CCCCN1 HR5567 [1,0,0,1,0,0|1,0,1]=4 114 B9R1.6 O=C(O)C1CNCCN1 HR124448 [1,0,0,1,0,0|1,0,1]=4 115 B9R1.6 O=C(O)C1CNCCN1 HR127281 [1,0,0,1,0,0|1,0,1]=4 116 B9R1.6 O=C(O)C1CNCCN1 HR131313 [1,0,0,1,0,0|1,0,1]=4 117 B9R1.6 O=C(O)C1CNCCN1 HR131587 [1,0,0,1,0,0|1,0,1]=4 118 B9R1.6 O=C(O)C1CNCCN1 HR131670 [1,0,0,1,0,0|1,0,1]=4 119 B9R1.6 O=C(O)C1CNCCN1 HR135543 [1,0,0,1,0,0|1,0,1]=4 120 B9R1.6 O=C(O)C1CNCCN1 HR136740 [1,0,0,1,0,0|1,0,1]=4 121 B9R1.6 O=C(O)C1CNCCN1 HR136998 [1,0,0,1,0,0|1,0,1]=4 122 B9R1.6 O=C(O)C1CNCCN1 HR144941 [1,0,0,1,0,0|1,0,1]=4 123 B9R1.6 O=C(O)C1COCCN1 HR115132 [1,0,0,1,0,0|0,1,1]=4 124 B9R1.6 O=C(O)C1COCCN1 HR115439 [1,0,0,1,0,0|0,1,1]=4 125 B9R1.6 O=C(O)C1COCCN1 HR145709 [1,0,0,1,0,0|0,1,1]=4 126 B9R1.6 O=C(O)C1COCCN1 HR145727 [1,0,0,1,0,0|0,1,1]=4 127 B9R1.6 O=C(O)C1COCCN1 HR146837 [1,0,0,1,0,0|0,1,1]=4 128 B9R1.6 O=C(O)C1CSCCN1 HR145827 [1,0,0,1,0,0|0,0,1]=3 129 B9R1.6 O=C(O)C1CSCCN1 HR146212 [1,0,0,1,0,0|0,0,1]=3 130 B9R1.6 O=C(O)C1CSCCN1 HR146213 [1,0,0,1,0,0|0,0,1]=3 131 B9R1.35 CC1CCC(C(=O)O)N1 HR139798 [1,0,0,1,0,0|1,0,1]=4 132 B9R1.35 NC1=NC(C(=O)O)CS1 HR129148 [1,0,0,1,0,0|1,0,1]=4 133 B9R1.35 O=C1CCC(C(=O)O)C1 HR108854 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.35 O=C1CCC(C(=O)O)C1 HR114929 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.35 O=C1CCC(C(=O)O)C1 HR145811 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.35 O=C1CCC(C(=O)O)N1 FAXM00201 [1,0,0,1,0,0|1,0,0]=3 137 B9R1.35 O=C1CCC(C(=O)O)N1 HR124489 [1,0,0,1,0,0|1,0,0]=3 138 B9R1.35 O=C1CCC(C(=O)O)N1 HR8103 [1,0,0,1,0,0|1,0,0]=3 139 B9R1.35 O=C1CCC(C(=O)O)O1 HR127855 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.35 O=C1CCC(C(=O)[O-])N1 HR141507 [1,0,0,1,0,0|1,0,1]=4 141 B9R1.35 O=C1NC(C(=O)O)CS1 HR131860 [1,0,0,1,0,0|0,0,0]=2 142 B9R1.41 CC1CCNC1C(=O)O HR139699 [1,0,0,1,0,0|1,0,1]=4 143 B9R1.41 O=C(O)C1NCCC1O HR100963 [1,0,0,1,0,0|0,1,1]=4 144 B9R1.41 O=C(O)C1NCCC1O HR146202 [1,0,0,1,0,0|0,1,1]=4 145 B9R1.2 O=C1CCCC(CO)N1 HR145838 [1,0,0,1,0,0|1,0,1]=4 146 B9R1.2 O=C1CCCC(CO)N1 HR145841 [1,0,0,1,0,0|1,0,1]=4 147 B9R1.2 O=C1CCCC(CO)N1 HR145844 [1,0,0,1,0,0|1,0,1]=4 148 B9R1.2 O=C1COCC(CO)N1 HR145834 [1,0,0,1,0,0|0,1,1]=4 149 B9R1.161 O=C(O)C1CC1C(=O)O HR101303 [1,0,0,1,0,0|2,0,0]=4 150 B9R1.161 O=C(O)C1CC1C(=O)O HR106060 [1,0,0,1,0,0|2,0,0]=4 151 B9R1.27 CCC1C(=O)CCC1=O HR124455 [0,0,0,1,1,0|2,0,0]=4 152 B9R1.168 O=C(O)C1(C(=O)O)CC1 HR34088 [0,0,0,1,1,0|2,0,0]=4 153 B11R1.175 O=C(O)C1CCC(C(=O)O)N1 HR110978 [0,0,0,1,0,1|2,0,0]=4 154 B11R1.175 O=C(O)C1CCC(C(=O)O)N1 HR111300 [0,0,0,1,0,1|2,0,0]=4 155 B11R1.175 O=C(O)C1CCC(C(=O)O)N1 HR111609 [0,0,0,1,0,1|2,0,0]=4 156 B11R1.74 O=C1CC(=O)CC(C(=O)O)C1 HR140557 [0,1,0,1,0,0|1,1,0]=4 157 B11R1.74 O=C1CC(C(=O)O)NC(=O)N1 HR125467 [0,1,0,1,0,0|1,1,0]=4 158 B11R1.178 CC(=O)N1CCCC1C(=O)O HR124080 [0,1,0,1,0,0|1,0,0]=3 159 B11R1.178 CC(=O)N1CCCC1C(=O)O HR141675 [0,1,0,1,0,0|1,0,0]=3 160 B11R1.178 CC(=O)N1CCCC1C(=O)O HR142894 [0,1,0,1,0,0|1,0,0]=3 161 B11R1.178 CC(=O)N1CCCC1C(N)=O HR119351 [0,1,0,1,0,0|2,0,0]=4 162 B11R1.178 CC(=O)N1CSCC1C(=O)O HR131968 [0,1,0,1,0,0|0,0,0]=2 163 B11R1.178 CC(=O)N1CSCC1C(=O)O HR141122 [0,1,0,1,0,0|0,0,0]=2 164 B11R1.497 O=C1CCCCC(C(=O)O)C1 HR145688 [0,1,0,1,0,0|2,0,0]=4 165 B11R1.167 CC(C)C1NC(=O)CNC1=O HR109994 [0,1,0,1,0,0|2,0,0]=4 166 B11R1.167 CC(C)C1NC(=O)CNC1=O HR112209 [0,1,0,1,0,0|2,0,0]=4 167 B11R1.167 CC1COC(=O)NC1C(=O)O ROXF00405 [0,1,0,1,0,0|1,0,0]=3 168 B11R1.228 O=C(CCl)NC1CCSC1=O HR111052 [0,1,0,1,0,0|1,1,0]=4 169 B11R1.23 COC(=O)C1CCCC(=O)N1 HR149762 [0,1,0,1,0,0|1,0,0]=3 170 B7R0.16 CC(=O)C(C)C(C)=O HR142176 [1,0,0,0,1,0|1,0,0]=3 171 B7R0.16 CC(=O)C(Cl)C(C)=O HR147348 [1,0,0,0,1,0|2,0,0]=4 172 B7R0.16 CC(C(=O)Cl)C(=O)Cl HR101155 [1,0,0,0,1,0|2,0,0]=4 173 B7R0.16 CC(C(N)=O)C(N)=O HR106837 [1,0,0,0,1,0|2,0,0]=4 174 B7R0.16 NC(C(=O)O)C(=O)O HR133757 [1,0,0,0,1,0|2,0,0]=4 175 B7R0.16 O=C(O)C(O)C(=O)O HR2066 [1,0,0,0,1,0|1,1,0]=4 176 B9R0.7 CC(=O)OCC(N)C(=O)O HR139137 [1,0,0,0,0,1|2,0,0]=4 177 B9R0.7 CC(=O)SCC(C)C(=O)Cl HR125529 [1,0,0,0,0,1|2,0,0]=4 178 B9R0.7 CC(=O)SCC(C)C(=O)Cl HR141048 [1,0,0,0,0,1|2,0,0]=4 179 B9R0.7 CC(=O)SCC(C)C(=O)O HR133969 [1,0,0,0,0,1|1,0,0]=3 180 B9R0.7 CC(=O)SCC(C)C(=O)O HR145506 [1,0,0,0,0,1|1,0,0]=3 181 B9R0.7 CC(CCC(=O)O)C(=O)O HR145824 [1,0,0,0,0,1|2,0,0]=4 182 B9R0.7 CC(CCC(=O)O)C(=O)O HR145825 [1,0,0,0,0,1|2,0,0]=4 183 B9R0.7 CC(CCC(=O)O)C(=O)O HR145826 [1,0,0,0,0,1|2,0,0]=4 184 B9R0.53 CC(CC(=O)O)CC(=O)O HR135338 [1,0,0,0,0,1|2,0,0]=4 185 B11R0.143 CC(=O)NCC(CBr)OC(C)=O HR125844 [0,0,0,0,0,2|2,0,0]=4 186 B11R0.143 CC(=O)NCC(CCl)OC(C)=O HR106758 [0,0,0,0,0,2|2,0,0]=4