0 B8R1.7 CC(=O)C1=NCCS1 HR130371 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.7 CC(=O)C1CCCC1 HR120520 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.7 NC(=O)C1CCCN1 HR112229 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.7 NC(=O)C1CCCN1 HR120776 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.7 NC(=O)C1CCCN1 HR125014 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.7 NC(=O)C1CCCN1 HR125279 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.7 NC(=O)C1CCCN1 HR133421 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.7 NC(=O)C1CCCN1 HR145038 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.7 NC(=O)C1CCNC1 HR105323 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.7 O=C(Cl)C1CCCC1 HR129546 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.7 O=C(Cl)N1CCCC1 HR142080 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.7 O=C(O)C1=CC=CN1 HR15698 [0,0,0,0,0,0|0,0,4]=4 12 B8R1.7 O=C(O)C1=CC=NN1 HR111763 [0,0,0,0,0,0|1,0,3]=4 13 B8R1.7 O=C(O)C1=NC=CN1 HR122739 [0,0,0,0,0,0|1,0,3]=4 14 B8R1.7 O=C(O)C1C=CCN1 HR105555 [0,0,0,0,0,0|0,0,2]=2 15 B8R1.7 O=C(O)C1C=CCN1 HR117236 [0,0,0,0,0,0|0,0,2]=2 16 B8R1.7 O=C(O)C1CC=CC1 HR137833 [0,0,0,0,0,0|1,0,2]=3 17 B8R1.7 O=C(O)C1CCCC1 HR124454 [0,0,0,0,0,0|1,0,0]=1 18 B8R1.7 O=C(O)C1CCCN1 HR122958 [0,0,0,0,0,0|0,0,0]=0 19 B8R1.7 O=C(O)C1CCCN1 HR136921 [0,0,0,0,0,0|0,0,0]=0 20 B8R1.7 O=C(O)C1CCCN1 HR142963 [0,0,0,0,0,0|0,0,0]=0 21 B8R1.7 O=C(O)C1CCCN1 SASA03107 [0,0,0,0,0,0|0,0,0]=0 22 B8R1.7 O=C(O)C1CCCO1 HR129714 [0,0,0,0,0,0|1,0,0]=1 23 B8R1.7 O=C(O)C1CCCO1 HR135878 [0,0,0,0,0,0|1,0,0]=1 24 B8R1.7 O=C(O)C1CCCO1 HR136153 [0,0,0,0,0,0|1,0,0]=1 25 B8R1.7 O=C(O)C1CCNC1 HR110045 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.7 O=C(O)C1CCNC1 HR124075 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.7 O=C(O)C1CCNC1 HR139411 [0,0,0,0,0,0|2,0,0]=2 28 B8R1.7 O=C(O)C1CCNC1 HR16223 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.7 O=C(O)C1CCOC1 HR109306 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.7 O=C(O)C1CCOC1 HR110235 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.7 O=C(O)C1CCOC1 HR111915 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.7 O=C(O)C1CSCN1 HR136394 [0,0,0,0,0,0|1,0,0]=1 33 B8R1.7 O=C(O)C1CSCN1 HR137574 [0,0,0,0,0,0|1,0,0]=1 34 B8R1.7 O=C(O)C1NCCS1 HR146541 [0,0,0,0,0,0|1,0,0]=1 35 B8R1.7 OB(O)C1=CCCC1 HR145036 [0,0,0,0,0,0|2,0,2]=4 36 B8R1.7 OB(O)C1CCCC1 HR125876 [0,0,0,0,0,0|2,0,1]=3 37 B8R1.7 OB(O)C1CCOC1 HR114876 [0,0,0,0,0,0|3,0,1]=4 38 B8R1.7 S=C([S-])N1CCCC1 HR129801 [0,0,0,0,0,0|2,2,0]=4 39 B7R1.1 BrCC1CCCC1 HR3104 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.1 BrCC1CCCO1 HR129840 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.1 Br[Mg]C1CCCC1 HR125805 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 C#CC1CCCC1 HR119915 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.1 C=CC1OCCO1 HR135167 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.1 COC1CCCC1 HR102853 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.1 ClCC1CCCO1 HR119687 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.1 Cl[Mg]C1CCCC1 HR125549 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.1 N#CC1CCCN1 HR100120 [1,0,0,0,0,0|1,0,1]=3 48 B7R1.1 N#CC1CCCN1 HR134124 [1,0,0,0,0,0|1,0,1]=3 49 B7R1.1 NCC1CCCC1 HR113514 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.1 NCC1CCCC1 HR143637 [1,0,0,0,0,0|2,0,1]=4 51 B7R1.1 NCC1CCCN1 HR142418 [1,0,0,0,0,0|1,0,1]=3 52 B7R1.1 NCC1CCCO1 HR130884 [1,0,0,0,0,0|2,0,1]=4 53 B7R1.1 NCC1CCCO1 HR146003 [1,0,0,0,0,0|2,0,1]=4 54 B7R1.1 NNC1CCCC1 HR137608 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.1 O=CC1=CCSC1 HR113279 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.1 O=CC1CCCC1 HR129057 [1,0,0,0,0,0|1,0,0]=2 57 B7R1.1 O=CC1CCCO1 HR106351 [1,0,0,0,0,0|1,0,0]=2 58 B7R1.1 O=CC1CCOC1 HR111279 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.1 OCC1CCCC1 HR132881 [1,0,0,0,0,0|1,0,1]=3 60 B7R1.1 OCC1CCCN1 HR103019 [1,0,0,0,0,0|0,0,1]=2 61 B7R1.1 OCC1CCCN1 HR127601 [1,0,0,0,0,0|0,0,1]=2 62 B7R1.1 OCC1CCCN1 HR137906 [1,0,0,0,0,0|0,0,1]=2 63 B7R1.1 OCC1CCCO1 HR7086 [1,0,0,0,0,0|1,0,1]=3 64 B7R1.1 OCC1CCNC1 HR102864 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.1 OCC1CCNC1 HR103174 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.1 OCC1CCNC1 HR106887 [1,0,0,0,0,0|2,0,1]=4 67 B7R1.1 OCC1CCNC1 HR120104 [1,0,0,0,0,0|2,0,1]=4 68 B7R1.1 OCC1CCOC1 HR103184 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.1 OCC1CCOC1 HR114642 [1,0,0,0,0,0|2,0,1]=4 70 B7R1.1 OCC1CCOC1 HR114966 [1,0,0,0,0,0|2,0,1]=4 71 B7R1.1 OCC1COCO1 HR124575 [1,0,0,0,0,0|2,0,1]=4 72 B7R1.1 OCC1OCCS1 APSA07208 [1,0,0,0,0,0|2,0,1]=4 73 B7R1.1 ON=C1CCCC1 HR108538 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.11 COC(=O)C1CC=CC1 HR136788 [0,1,0,0,0,0|1,0,2]=4 75 B9R1.11 COC(=O)C1CCCC1 HR103520 [0,1,0,0,0,0|1,0,0]=2 76 B9R1.11 COC(=O)C1CCCN1 HR133852 [0,1,0,0,0,0|0,0,0]=1 77 B9R1.11 COC(=O)C1CCCN1 RASA04102 [0,1,0,0,0,0|0,0,0]=1 78 B9R1.11 COC(=O)C1CCCO1 HR126735 [0,1,0,0,0,0|1,0,0]=2 79 B9R1.11 COC(=O)C1CCC[NH2+]1 HR132161 [0,1,0,0,0,0|0,0,1]=2 80 B9R1.11 COC(=O)C1CCNC1 HR103128 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.11 COC(=O)C1CCNC1 HR105013 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.11 COC(=O)C1CCNC1 HR110217 [0,1,0,0,0,0|2,0,0]=3 83 B9R1.11 NNC(=O)C1CCOC1 HR112347 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.11 O=C(CCl)C1CCCC1 HR120563 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.19 FC(F)(F)C1CCCN1 HR104677 [0,1,0,0,0,0|2,0,1]=4 86 B9R1.35 CC(=O)N1CCC(N)C1 HR116475 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.35 CC1CCC(C(=O)O)N1 HR139798 [0,1,0,0,0,0|0,0,0]=1 88 B9R1.35 CC1CNC(C(=O)O)C1 HR112962 [0,1,0,0,0,0|0,0,0]=1 89 B9R1.35 CN1CCC(C(=O)O)C1 HR110153 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.35 CN1CCC(C(=O)O)C1 HR119950 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.35 NC(=O)C1CC(F)CN1 HR149040 [0,1,0,0,0,0|1,0,0]=2 92 B9R1.35 NC1=NC(C(=O)O)CS1 HR129148 [0,1,0,0,0,0|1,0,2]=4 93 B9R1.35 NC1C=CC(C(=O)O)C1 HR105341 [0,1,0,0,0,0|1,0,1]=3 94 B9R1.35 NC1CCC(C(=O)O)C1 HR139989 [0,1,0,0,0,0|1,0,0]=2 95 B9R1.35 NC1CCC(C(=O)O)C1 HR145717 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.35 NC1CCC(C(=O)O)C1 HR145718 [0,1,0,0,0,0|1,0,0]=2 97 B9R1.35 NC1CCC(C(=O)O)C1 HR145728 [0,1,0,0,0,0|1,0,0]=2 98 B9R1.35 NC1CCC(C(=O)O)C1 HR145729 [0,1,0,0,0,0|1,0,0]=2 99 B9R1.35 NC1CCC(C(=O)O)C1 HR145730 [0,1,0,0,0,0|1,0,0]=2 100 B9R1.35 NC1CCC(C(=O)O)C1 HR145731 [0,1,0,0,0,0|1,0,0]=2 101 B9R1.35 O=C(O)C1CC(Br)CN1 HR140082 [0,1,0,0,0,0|0,0,0]=1 102 B9R1.35 O=C(O)C1CC(Br)CN1 HR140177 [0,1,0,0,0,0|0,0,0]=1 103 B9R1.35 O=C(O)C1CC(F)CN1 HR108720 [0,1,0,0,0,0|0,0,0]=1 104 B9R1.35 O=C(O)C1CC(F)CN1 HR139799 [0,1,0,0,0,0|0,0,0]=1 105 B9R1.35 O=C(O)C1CC(F)CN1 HR139893 [0,1,0,0,0,0|0,0,0]=1 106 B9R1.35 O=C(O)C1CC(F)CN1 HR139990 [0,1,0,0,0,0|0,0,0]=1 107 B9R1.35 O=C(O)C1CC(O)CN1 HR101774 [0,1,0,0,0,0|0,0,0]=1 108 B9R1.35 O=C(O)C1CC(O)CN1 HR117442 [0,1,0,0,0,0|0,0,0]=1 109 B9R1.35 O=C(O)C1CC(O)CN1 HR130957 [0,1,0,0,0,0|0,0,0]=1 110 B9R1.35 O=C(O)C1CC(O)CN1 HR133285 [0,1,0,0,0,0|0,0,0]=1 111 B9R1.35 O=C(O)C1CC(O)CN1 HR134096 [0,1,0,0,0,0|0,0,0]=1 112 B9R1.35 O=C(O)C1CC(O)CN1 HR136136 [0,1,0,0,0,0|0,0,0]=1 113 B9R1.35 O=C(O)C1CC(O)CN1 HR139314 [0,1,0,0,0,0|0,0,0]=1 114 B9R1.35 O=C(O)C1CCC(O)C1 HR145784 [0,1,0,0,0,0|1,0,0]=2 115 B9R1.35 O=C(O)C1CCC(O)C1 HR145786 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.35 O=C(O)C1CCC(O)C1 HR145787 [0,1,0,0,0,0|1,0,0]=2 117 B9R1.35 O=C(O)C1CCC(O)C1 HR145788 [0,1,0,0,0,0|1,0,0]=2 118 B9R1.35 O=C1CCC(C(=O)O)C1 HR108854 [0,1,0,0,0,0|1,0,1]=3 119 B9R1.35 O=C1CCC(C(=O)O)C1 HR114929 [0,1,0,0,0,0|1,0,1]=3 120 B9R1.35 O=C1CCC(C(=O)O)C1 HR145811 [0,1,0,0,0,0|1,0,1]=3 121 B9R1.35 O=C1CCC(C(=O)O)N1 FAXM00201 [0,1,0,0,0,0|0,0,1]=2 122 B9R1.35 O=C1CCC(C(=O)O)N1 HR124489 [0,1,0,0,0,0|0,0,1]=2 123 B9R1.35 O=C1CCC(C(=O)O)N1 HR8103 [0,1,0,0,0,0|0,0,1]=2 124 B9R1.35 O=C1CCC(C(=O)O)O1 HR127855 [0,1,0,0,0,0|1,0,1]=3 125 B9R1.35 O=C1CCC(C(=O)[O-])N1 HR141507 [0,1,0,0,0,0|0,0,2]=3 126 B9R1.35 O=C1NC(C(=O)O)CS1 HR131860 [0,1,0,0,0,0|1,0,1]=3 127 B9R1.41 CC(=O)C1CCCC1=O HR144598 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.41 CC(=O)C1CCOC1=O HTXM01002 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.41 CC1CCNC1C(=O)O HR139699 [0,1,0,0,0,0|0,0,0]=1 130 B9R1.41 CN1CCCC1C(=O)O HR102016 [0,1,0,0,0,0|0,0,0]=1 131 B9R1.41 CN1CCCC1C(=O)O HR139408 [0,1,0,0,0,0|0,0,0]=1 132 B9R1.41 CN1CCCC1C(=O)O HR139601 [0,1,0,0,0,0|0,0,0]=1 133 B9R1.41 CN1CCCC1C(=O)O HR147686 [0,1,0,0,0,0|0,0,0]=1 134 B9R1.41 NC1CCCC1C(=O)O HR11111 [0,1,0,0,0,0|1,0,0]=2 135 B9R1.41 NC1CCCC1C(=O)O HR112426 [0,1,0,0,0,0|1,0,0]=2 136 B9R1.41 NC1CCCC1C(=O)O HR112742 [0,1,0,0,0,0|1,0,0]=2 137 B9R1.41 NC1CCCC1C(=O)O HR113061 [0,1,0,0,0,0|1,0,0]=2 138 B9R1.41 NC1CCCC1C(=O)O HR117553 [0,1,0,0,0,0|1,0,0]=2 139 B9R1.41 O=C(O)C1CCCC1=O HR109477 [0,1,0,0,0,0|1,0,0]=2 140 B9R1.41 O=C(O)C1NCCC1O HR100963 [0,1,0,0,0,0|0,0,0]=1 141 B9R1.41 O=C(O)C1NCCC1O HR146202 [0,1,0,0,0,0|0,0,0]=1 142 B9R1.163 CC(=O)C1(O)CCCC1 HR120547 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.163 CC1(C(=O)O)CCCN1 HR103832 [0,1,0,0,0,0|0,0,0]=1 144 B9R1.163 CC1(C(=O)O)CCCN1 HR139507 [0,1,0,0,0,0|0,0,0]=1 145 B9R1.163 NC(=O)C1(N)CCCC1 HR146549 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.163 NC1(C(=O)O)CCCC1 IBCQ00406 [0,1,0,0,0,0|1,0,0]=2 147 B9R1.163 NC1(C(=O)O)CCOC1 HR110693 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.163 NC1(C(=O)O)CCOC1 HR111011 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.163 NC1(C(=O)O)CCOC1 HR15117 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.163 O=C(O)C1(F)CCCC1 HR33973 [0,1,0,0,0,0|1,0,0]=2 151 B7R0.4 C#CCCCC(=O)O HR119998 [0,0,1,0,0,0|1,0,1]=3 152 B7R0.4 C=CCCCC(=O)O HR110118 [0,0,1,0,0,0|1,0,1]=3 153 B7R0.4 C=CCNCC(=O)O HR144457 [0,0,1,0,0,0|0,0,2]=3 154 B7R0.4 C=CCNCC(=O)O HR146187 [0,0,1,0,0,0|0,0,2]=3 155 B7R0.4 CC(=O)CCCCBr HR125447 [0,0,1,0,0,0|2,0,0]=3 156 B7R0.4 CC(=O)CCCCCl HR124124 [0,0,1,0,0,0|2,0,0]=3 157 B7R0.4 CC(=O)OCCCCl HR130837 [0,0,1,0,0,0|3,0,0]=4 158 B7R0.4 CC(O)CCCCO HR100920 [0,0,1,0,0,0|2,0,1]=4 159 B7R0.4 CCCCCB(O)O HR142127 [0,0,1,0,0,0|2,0,1]=4 160 B7R0.4 CCCCCC(C)O HR113580 [0,0,1,0,0,0|2,0,1]=4 161 B7R0.4 CCCCCC(C)O HR113894 [0,0,1,0,0,0|2,0,1]=4 162 B7R0.4 CCCCCC(C)O HR133526 [0,0,1,0,0,0|2,0,1]=4 163 B7R0.4 CCCCNC(N)=O HR125670 [0,0,1,0,0,0|3,0,0]=4 164 B7R0.4 CCCCOC(N)=O HR123655 [0,0,1,0,0,0|3,0,0]=4 165 B7R0.4 CCCCO[P+](=O)O HR109028 [0,0,1,0,0,0|3,0,0]=4 166 B7R0.4 CCCOCC(C)O HR142954 [0,0,1,0,0,0|2,0,1]=4 167 B7R0.4 CCC\C=C\C(C)=O HR30170 [0,0,1,0,0,0|2,0,1]=4 168 B7R0.4 CCO\C=C\C(=O)O HR20958 [0,0,1,0,0,0|2,0,1]=4 169 B7R0.4 CC\C=C\CC(=O)O HR109903 [0,0,1,0,0,0|1,0,1]=3 170 B7R0.4 CN(C)CCCCN HR106772 [0,0,1,0,0,0|3,0,0]=4 171 B7R0.4 N#CCCCC(=O)O HR118843 [0,0,1,0,0,0|0,0,2]=3 172 B7R0.4 N#CCSCC(=O)O HR110059 [0,0,1,0,0,0|1,0,2]=4 173 B7R0.4 NC(=O)COCCCl HR115417 [0,0,1,0,0,0|3,0,0]=4 174 B7R0.4 NCCCCC(=O)O HR127046 [0,0,1,0,0,0|0,0,0]=1 175 B7R0.4 NCCCCC(=O)O HR139651 [0,0,1,0,0,0|0,0,0]=1 176 B7R0.4 O=C(Cl)CCCCBr HR138251 [0,0,1,0,0,0|2,0,0]=3 177 B7R0.4 O=C(Cl)CCCCCl HR135830 [0,0,1,0,0,0|2,0,0]=3 178 B7R0.4 O=C(Cl)OCCCCl HR136628 [0,0,1,0,0,0|3,0,0]=4 179 B7R0.4 O=C(O)CCCCBr HR127598 [0,0,1,0,0,0|1,0,0]=2 180 B7R0.4 O=C(O)CCCCCl HR127871 [0,0,1,0,0,0|1,0,0]=2 181 B7R0.4 O=C(O)COCCCl HR100767 [0,0,1,0,0,0|2,0,0]=3 182 B7R0.5 C#CCC(N)C(=O)O HR133685 [0,0,1,0,0,0|0,0,2]=3 183 B7R0.5 C#CCC(N)C(=O)O HR135675 [0,0,1,0,0,0|0,0,2]=3 184 B7R0.5 C#CCC(N)C(=O)O HR135939 [0,0,1,0,0,0|0,0,2]=3 185 B7R0.5 C=CCC(C)C(=O)O HR143156 [0,0,1,0,0,0|1,0,2]=4 186 B7R0.5 C=CCC(N)C(=O)O HR106860 [0,0,1,0,0,0|0,0,2]=3 187 B7R0.5 C=CCC(N)C(=O)O HR119232 [0,0,1,0,0,0|0,0,2]=3 188 B7R0.5 C=CCC(N)C(=O)O HR134381 [0,0,1,0,0,0|0,0,2]=3 189 B7R0.5 C=CCC(N)C(=O)O HR136466 [0,0,1,0,0,0|0,0,2]=3 190 B7R0.5 C=CCC(N)C(=O)O HR138518 [0,0,1,0,0,0|0,0,2]=3 191 B7R0.5 CCCC(=O)C(=O)O HR138596 [0,0,1,0,0,0|1,0,1]=3 192 B7R0.5 CCCC(=O)C(C)=O HR139186 [0,0,1,0,0,0|2,0,1]=4 193 B7R0.5 CCCC(Br)C(=O)Cl HR140278 [0,0,1,0,0,0|2,0,0]=3 194 B7R0.5 CCCC(Br)C(=O)O HR114924 [0,0,1,0,0,0|1,0,0]=2 195 B7R0.5 CCCC(C)C(=O)O HR131664 [0,0,1,0,0,0|1,0,0]=2 196 B7R0.5 CCCC(N)C(=O)O HR122649 [0,0,1,0,0,0|0,0,0]=1 197 B7R0.5 CCCC(N)C(=O)O HR136723 [0,0,1,0,0,0|0,0,0]=1 198 B7R0.5 CCCC(N)C(=O)O HR138486 [0,0,1,0,0,0|0,0,0]=1 199 B7R0.5 CC\C=C(\C)C(=O)O HR131305 [0,0,1,0,0,0|1,0,1]=3 200 B7R0.5 CC\C=C(\C)C(=O)O HR138938 [0,0,1,0,0,0|1,0,1]=3 201 B7R0.5 CNCC(N)C(=O)O HR146211 [0,0,1,0,0,0|1,0,0]=2 202 B7R0.5 COCC(N)C(=O)O HR108882 [0,0,1,0,0,0|1,0,0]=2 203 B7R0.5 COCC(N)C(=O)O HR109701 [0,0,1,0,0,0|1,0,0]=2 204 B7R0.5 COCC(N)C(=O)O HR110015 [0,0,1,0,0,0|1,0,0]=2 205 B7R0.5 COCC(N)C(=O)O HR115078 [0,0,1,0,0,0|1,0,0]=2 206 B7R0.5 COCC(N)C(=O)O HR115700 [0,0,1,0,0,0|1,0,0]=2 207 B7R0.5 CSCC(N)C(=O)O HR134174 [0,0,1,0,0,0|1,0,0]=2 208 B7R0.5 NC(CCBr)C(=O)O HR102483 [0,0,1,0,0,0|1,0,0]=2 209 B7R0.5 NC(CCO)C(=O)O HR122160 [0,0,1,0,0,0|1,0,0]=2 210 B7R0.5 NC(CCO)C(=O)O HR127129 [0,0,1,0,0,0|1,0,0]=2 211 B7R0.5 NC(CCO)C(=O)O HR129910 [0,0,1,0,0,0|1,0,0]=2 212 B7R0.5 NC(CCS)C(=O)O HR100636 [0,0,1,0,0,0|1,0,0]=2 213 B7R0.5 NC(CCS)C(=O)O HR137923 [0,0,1,0,0,0|1,0,0]=2 214 B7R0.5 NCCC(N)C(=O)O HR112825 [0,0,1,0,0,0|1,0,0]=2 215 B7R0.5 NCCC(N)C(=O)O HR14752 [0,0,1,0,0,0|1,0,0]=2 216 B7R0.5 O=C(Cl)C(Br)CCBr HR119984 [0,0,1,0,0,0|3,0,0]=4 217 B7R0.5 O=C(O)C(Br)CCBr HR138979 [0,0,1,0,0,0|2,0,0]=3 218 B7R0.15 CCC(CC)C(=O)O HR140709 [0,0,1,0,0,0|1,0,0]=2 219 B7R0.15 CCC(CC)C(N)=O HR138630 [0,0,1,0,0,0|2,0,0]=3 220 B7R0.15 CCN(CC)C(=O)Cl HR128476 [0,0,1,0,0,0|3,0,0]=4 221 B7R0.15 CNC(CO)C(=O)O HR112824 [0,0,1,0,0,0|1,0,0]=2 222 B7R0.15 CNC(CS)C(=O)O HR116844 [0,0,1,0,0,0|1,0,0]=2 223 B7R0.15 COC(OC)C(C)=O HR9977 [0,0,1,0,0,0|3,0,0]=4 224 B7R0.15 O=C(O)C(CBr)CBr HR103071 [0,0,1,0,0,0|3,0,0]=4 225 B9R2.7 O=C1NC2CCCC12 HR101686 [0,0,0,1,0,0|2,0,0]=3 226 B9R2.39 O=C1CC2CCC1C2 HR102426 [0,0,0,1,0,0|2,0,0]=3 227 B9R2.39 O=C1NC2C=CC1C2 HR110805 [0,0,0,1,0,0|2,0,1]=4 228 B9R2.39 O=C1NC2C=CC1C2 HR114658 [0,0,0,1,0,0|2,0,1]=4 229 B9R2.39 O=C1NC2C=CC1C2 HR124265 [0,0,0,1,0,0|2,0,1]=4 230 B7R1.18 CC(=O)C1CCC1 HR143826 [0,0,0,0,1,0|1,0,0]=2 231 B7R1.18 CC(O)C1CCC1 HR147156 [0,0,0,0,1,0|1,0,1]=3 232 B7R1.18 NC(=O)C1CCN1 HR115575 [0,0,0,0,1,0|1,0,0]=2 233 B7R1.18 O=C(Cl)C1CCC1 HR129809 [0,0,0,0,1,0|1,0,0]=2 234 B7R1.18 O=C(O)C1CCC1 HR136661 [0,0,0,0,1,0|0,0,0]=1 235 B7R1.18 O=C(O)C1CCN1 HR103406 [0,0,0,0,1,0|0,0,0]=1 236 B7R1.18 O=C(O)C1CCN1 HR106573 [0,0,0,0,1,0|0,0,0]=1 237 B7R1.18 O=C(O)C1CCN1 HR118789 [0,0,0,0,1,0|0,0,0]=1 238 B7R1.18 O=C(O)C1CCN1 HR127792 [0,0,0,0,1,0|0,0,0]=1 239 B7R1.18 O=C(O)C1CCN1 HR132187 [0,0,0,0,1,0|0,0,0]=1 240 B7R1.18 O=C(O)C1CCN1 HR138860 [0,0,0,0,1,0|0,0,0]=1 241 B7R1.18 O=C(O)C1CCO1 HR109624 [0,0,0,0,1,0|1,0,0]=2 242 B7R1.18 O=C(O)C1CNC1 SIJL01006 [0,0,0,0,1,0|1,0,0]=2 243 B7R1.18 O=C(O)C1COC1 HR111082 [0,0,0,0,1,0|1,0,0]=2 244 B9R1.6 CC(=O)C1=CCCCC1 HR138989 [0,0,0,0,0,1|2,0,1]=4 245 B9R1.6 CC(=O)C1CCCCC1 HR132742 [0,0,0,0,0,1|2,0,0]=3 246 B9R1.6 CC(=O)C1CCCCN1 HR114158 [0,0,0,0,0,1|1,0,0]=2 247 B9R1.6 CC(=O)C1CCOCC1 HR112480 [0,0,0,0,0,1|2,0,0]=3 248 B9R1.6 CC(=O)N1CCNCC1 HR135408 [0,0,0,0,0,1|3,0,0]=4 249 B9R1.6 CC(=O)N1CCOCC1 HR127112 [0,0,0,0,0,1|3,0,0]=4 250 B9R1.6 CC(C)C1CNCCN1 HR105876 [0,0,0,0,0,1|2,0,1]=4 251 B9R1.6 CC(C)C1CNCCN1 HR118848 [0,0,0,0,0,1|2,0,1]=4 252 B9R1.6 CC(C)C1COCCN1 HR110459 [0,0,0,0,0,1|2,0,1]=4 253 B9R1.6 CC(C)C1COCCN1 HR145881 [0,0,0,0,0,1|2,0,1]=4 254 B9R1.6 CC(C)C1COCCN1 HR145883 [0,0,0,0,0,1|2,0,1]=4 255 B9R1.6 CC(C)C1COCCN1 HR21103 [0,0,0,0,0,1|2,0,1]=4 256 B9R1.6 CN(C)C1CCCNC1 HR146140 [0,0,0,0,0,1|3,0,0]=4 257 B9R1.6 FC(F)C1CCCNC1 HR151306 [0,0,0,0,0,1|2,0,1]=4 258 B9R1.6 N=C(N)C1CCNCC1 HR107350 [0,0,0,0,0,1|3,0,0]=4 259 B9R1.6 NC(=O)C1CCCCC1 HR134499 [0,0,0,0,0,1|2,0,0]=3 260 B9R1.6 NC(=O)C1CCCCN1 HR109986 [0,0,0,0,0,1|1,0,0]=2 261 B9R1.6 NC(=O)C1CCCCN1 HR149250 [0,0,0,0,0,1|1,0,0]=2 262 B9R1.6 NC(=O)C1CCCNC1 HR124567 [0,0,0,0,0,1|1,0,0]=2 263 B9R1.6 NC(=O)C1CCNCC1 ACSA02520 [0,0,0,0,0,1|2,0,0]=3 264 B9R1.6 NC(=O)C1CNCCN1 HR112404 [0,0,0,0,0,1|1,0,0]=2 265 B9R1.6 O=C(Cl)C1CCCCC1 HR133690 [0,0,0,0,0,1|2,0,0]=3 266 B9R1.6 O=C(Cl)C1CCOCC1 HR124521 [0,0,0,0,0,1|2,0,0]=3 267 B9R1.6 O=C(Cl)N1CCOCC1 HR138923 [0,0,0,0,0,1|3,0,0]=4 268 B9R1.6 O=C(O)C1=CCCCC1 HR127974 [0,0,0,0,0,1|1,0,1]=3 269 B9R1.6 O=C(O)C1CC=CCC1 HR11032 [0,0,0,0,0,1|1,0,1]=3 270 B9R1.6 O=C(O)C1CC=CCC1 HR139596 [0,0,0,0,0,1|1,0,1]=3 271 B9R1.6 O=C(O)C1CC=CCC1 HR144350 [0,0,0,0,0,1|1,0,1]=3 272 B9R1.6 O=C(O)C1CC=CCN1 HR146186 [0,0,0,0,0,1|0,0,1]=2 273 B9R1.6 O=C(O)C1CCCCC1 DAJL01401 [0,0,0,0,0,1|1,0,0]=2 274 B9R1.6 O=C(O)C1CCCCC1 HR10570 [0,0,0,0,0,1|1,0,0]=2 275 B9R1.6 O=C(O)C1CCCCN1 HR116043 [0,0,0,0,0,1|0,0,0]=1 276 B9R1.6 O=C(O)C1CCCCN1 HR122879 [0,0,0,0,0,1|0,0,0]=1 277 B9R1.6 O=C(O)C1CCCCN1 HR132254 [0,0,0,0,0,1|0,0,0]=1 278 B9R1.6 O=C(O)C1CCCCN1 HR136021 [0,0,0,0,0,1|0,0,0]=1 279 B9R1.6 O=C(O)C1CCCCN1 HR136802 [0,0,0,0,0,1|0,0,0]=1 280 B9R1.6 O=C(O)C1CCCCN1 HR138030 [0,0,0,0,0,1|0,0,0]=1 281 B9R1.6 O=C(O)C1CCCCN1 HR145800 [0,0,0,0,0,1|0,0,0]=1 282 B9R1.6 O=C(O)C1CCCCN1 HR5567 [0,0,0,0,0,1|0,0,0]=1 283 B9R1.6 O=C(O)C1CCCCO1 HR112642 [0,0,0,0,0,1|1,0,0]=2 284 B9R1.6 O=C(O)C1CCCCO1 HR145775 [0,0,0,0,0,1|1,0,0]=2 285 B9R1.6 O=C(O)C1CCCCO1 HR145783 [0,0,0,0,0,1|1,0,0]=2 286 B9R1.6 O=C(O)C1CCCNC1 HR115729 [0,0,0,0,0,1|0,0,0]=1 287 B9R1.6 O=C(O)C1CCCNC1 HR116358 [0,0,0,0,0,1|0,0,0]=1 288 B9R1.6 O=C(O)C1CCCNC1 HR124123 [0,0,0,0,0,1|0,0,0]=1 289 B9R1.6 O=C(O)C1CCCNC1 HR127349 [0,0,0,0,0,1|0,0,0]=1 290 B9R1.6 O=C(O)C1CCCOC1 HR108512 [0,0,0,0,0,1|1,0,0]=2 291 B9R1.6 O=C(O)C1CCNCC1 HR144644 [0,0,0,0,0,1|1,0,0]=2 292 B9R1.6 O=C(O)C1CCNCC1 HR7718 [0,0,0,0,0,1|1,0,0]=2 293 B9R1.6 O=C(O)C1CCOCC1 IBCQ00401 [0,0,0,0,0,1|1,0,0]=2 294 B9R1.6 O=C(O)C1CNCCN1 HR124448 [0,0,0,0,0,1|0,0,0]=1 295 B9R1.6 O=C(O)C1CNCCN1 HR127281 [0,0,0,0,0,1|0,0,0]=1 296 B9R1.6 O=C(O)C1CNCCN1 HR131313 [0,0,0,0,0,1|0,0,0]=1 297 B9R1.6 O=C(O)C1CNCCN1 HR131587 [0,0,0,0,0,1|0,0,0]=1 298 B9R1.6 O=C(O)C1CNCCN1 HR131670 [0,0,0,0,0,1|0,0,0]=1 299 B9R1.6 O=C(O)C1CNCCN1 HR135543 [0,0,0,0,0,1|0,0,0]=1 300 B9R1.6 O=C(O)C1CNCCN1 HR136740 [0,0,0,0,0,1|0,0,0]=1 301 B9R1.6 O=C(O)C1CNCCN1 HR136998 [0,0,0,0,0,1|0,0,0]=1 302 B9R1.6 O=C(O)C1CNCCN1 HR144941 [0,0,0,0,0,1|0,0,0]=1 303 B9R1.6 O=C(O)C1CNCCO1 HR117234 [0,0,0,0,0,1|1,0,0]=2 304 B9R1.6 O=C(O)C1CNCCO1 HR117737 [0,0,0,0,0,1|1,0,0]=2 305 B9R1.6 O=C(O)C1CNCCO1 HR145792 [0,0,0,0,0,1|1,0,0]=2 306 B9R1.6 O=C(O)C1COCCN1 HR115132 [0,0,0,0,0,1|0,0,0]=1 307 B9R1.6 O=C(O)C1COCCN1 HR115439 [0,0,0,0,0,1|0,0,0]=1 308 B9R1.6 O=C(O)C1COCCN1 HR145709 [0,0,0,0,0,1|0,0,0]=1 309 B9R1.6 O=C(O)C1COCCN1 HR145727 [0,0,0,0,0,1|0,0,0]=1 310 B9R1.6 O=C(O)C1COCCN1 HR146837 [0,0,0,0,0,1|0,0,0]=1 311 B9R1.6 O=C(O)C1CSCCN1 HR145827 [0,0,0,0,0,1|0,0,0]=1 312 B9R1.6 O=C(O)C1CSCCN1 HR146212 [0,0,0,0,0,1|0,0,0]=1 313 B9R1.6 O=C(O)C1CSCCN1 HR146213 [0,0,0,0,0,1|0,0,0]=1 314 B9R1.6 O=C([O-])C1CCCCC1 HR120023 [0,0,0,0,0,1|1,0,1]=3 315 B9R1.6 OB(O)C1CCCCC1 HR132740 [0,0,0,0,0,1|2,0,1]=4 316 B9R1.13 CC(=O)NC1CCNC1 HR119460 [0,0,0,0,0,1|3,0,0]=4 317 B9R1.13 CC(=O)NC1CCNC1 HR126156 [0,0,0,0,0,1|3,0,0]=4 318 B9R1.13 CC(=O)NC1CCNC1 HR149035 [0,0,0,0,0,1|3,0,0]=4 319 B9R1.13 O=C(Cl)OC1CCCC1 HR130910 [0,0,0,0,0,1|2,0,0]=3 320 B9R1.13 O=C(O)CC1CCCC1 HR140131 [0,0,0,0,0,1|1,0,0]=2 321 B9R1.13 O=C(O)CC1CCCN1 HR139892 [0,0,0,0,0,1|0,0,0]=1 322 B9R1.13 O=C(O)CC1CCCN1 HR145708 [0,0,0,0,0,1|0,0,0]=1 323 B9R1.13 O=C(O)CC1CCCO1 HR15380 [0,0,0,0,0,1|1,0,0]=2 324 B9R1.13 O=C(O)CC1CCNC1 HR105011 [0,0,0,0,0,1|2,0,0]=3 325 B9R1.13 O=C(O)CC1CCNC1 HR145803 [0,0,0,0,0,1|2,0,0]=3 326 B9R1.13 O=C(O)CC1CCNC1 HR145804 [0,0,0,0,0,1|2,0,0]=3 327 B9R1.13 O=C(O)CC1CCOC1 HR114277 [0,0,0,0,0,1|2,0,0]=3 328 B9R1.13 O=C(O)CN1CCCC1 HR110460 [0,0,0,0,0,1|2,0,0]=3 329 B6R0.4 C#CCCC(=O)O HR101408 [1,0,1,0,0,0|0,0,2]=4 330 B6R0.4 C=C(C)CNCC HR128262 [1,0,1,0,0,0|2,0,0]=4 331 B6R0.4 C=CCCC(=O)O HR128583 [1,0,1,0,0,0|0,0,2]=4 332 B6R0.4 CC(=O)CCCBr HR147487 [1,0,1,0,0,0|2,0,0]=4 333 B6R0.4 CC(=O)CCCCl HR100024 [1,0,1,0,0,0|2,0,0]=4 334 B6R0.4 CC(=O)CCCO HR136959 [1,0,1,0,0,0|2,0,0]=4 335 B6R0.4 CC(=O)NCCN HR128075 [1,0,1,0,0,0|2,0,0]=4 336 B6R0.4 CC(=O)NCCO HR100613 [1,0,1,0,0,0|2,0,0]=4 337 B6R0.4 CCCCB(O)O HR137738 [1,0,1,0,0,0|1,0,1]=4 338 B6R0.4 CCCCC(=O)Cl HR147689 [1,0,1,0,0,0|1,0,0]=3 339 B6R0.4 CCCCC(=O)[O-] HR143929 [1,0,1,0,0,0|0,0,1]=3 340 B6R0.4 CCCCC(C)O HR113264 [1,0,1,0,0,0|1,0,1]=4 341 B6R0.4 CCCCC(C)O HR141634 [1,0,1,0,0,0|1,0,1]=4 342 B6R0.4 CCCCC(N)=O HR110039 [1,0,1,0,0,0|1,0,0]=3 343 B6R0.4 CCCC[Sn](=O)O HR135371 [1,0,1,0,0,0|1,0,0]=3 344 B6R0.4 CCCNC(N)=S HR109524 [1,0,1,0,0,0|1,1,0]=4 345 B6R0.4 CCCSC(C)=O HR137881 [1,0,1,0,0,0|2,0,0]=4 346 B6R0.4 CCNCC(=O)O HR105131 [1,0,1,0,0,0|0,0,0]=2 347 B6R0.4 CCOCC(=O)O HR123178 [1,0,1,0,0,0|1,0,0]=3 348 B6R0.4 CNCCC(=O)O HR100194 [1,0,1,0,0,0|1,0,0]=3 349 B6R0.4 CSCCC(C)=O HR133952 [1,0,1,0,0,0|2,0,0]=4 350 B6R0.4 N#CCCC(=O)O HR103469 [1,0,1,0,0,0|0,0,2]=4 351 B6R0.4 NCCCC(=O)O HR130958 [1,0,1,0,0,0|0,0,0]=2 352 B6R0.4 O=C(Cl)CCCBr HR102428 [1,0,1,0,0,0|2,0,0]=4 353 B6R0.4 O=C(Cl)CCCCl HR129406 [1,0,1,0,0,0|2,0,0]=4 354 B6R0.4 O=C(O)CCCBr HR131673 [1,0,1,0,0,0|1,0,0]=3 355 B6R0.4 O=C(O)CCCCl HR120152 [1,0,1,0,0,0|1,0,0]=3 356 B6R0.4 O=CCCC(=O)O HR134907 [1,0,1,0,0,0|1,0,1]=4 357 B6R0.6 C#CCCCC=O VIJL03309 [1,0,1,0,0,0|1,0,1]=4 358 B6R0.6 C=CCCCCBr HR137464 [1,0,1,0,0,0|2,0,0]=4 359 B6R0.6 C=CCCCCCl HR113553 [1,0,1,0,0,0|2,0,0]=4 360 B6R0.6 C=CCCCCN HR143196 [1,0,1,0,0,0|1,0,0]=3 361 B6R0.6 C=CCCCCO HR120838 [1,0,1,0,0,0|2,0,0]=4 362 B6R0.6 C=CCSCCC HR130566 [1,0,1,0,0,0|2,0,0]=4 363 B6R0.6 CCCCCCO HR108609 [1,0,1,0,0,0|1,0,1]=4 364 B6R0.6 CCCCCCO HR127298 [1,0,1,0,0,0|1,0,1]=4 365 B6R0.6 CCCOCCO HR123698 [1,0,1,0,0,0|1,0,1]=4 366 B6R0.6 CCC\C=C\C=O HR127670 [1,0,1,0,0,0|1,0,1]=4 367 B6R0.6 COCCCCN HR141637 [1,0,1,0,0,0|2,0,0]=4 368 B6R0.6 NCCCCCN HR146969 [1,0,1,0,0,0|1,0,1]=4 369 B6R0.6 NCCCCCO HR139094 [1,0,1,0,0,0|0,0,1]=3 370 B6R0.6 NCCNCCO HR129715 [1,0,1,0,0,0|1,0,1]=4 371 B6R0.6 NCCSCCO HR131001 [1,0,1,0,0,0|1,0,1]=4 372 B6R0.6 O=CCCCC=O HR141217 [1,0,1,0,0,0|1,0,1]=4 373 B6R0.6 O=CCCCCCl HR119509 [1,0,1,0,0,0|1,0,0]=3 374 B6R0.6 O=CCCCCO HR116282 [1,0,1,0,0,0|1,0,0]=3 375 B6R0.6 O=CCOCCO HR117228 [1,0,1,0,0,0|2,0,0]=4 376 B6R0.6 OCCCCCBr HR102868 [1,0,1,0,0,0|1,0,1]=4 377 B6R0.6 OCCCCCCl HR134047 [1,0,1,0,0,0|1,0,1]=4 378 B6R0.6 OCCCCCO HR136505 [1,0,1,0,0,0|1,0,1]=4 379 B6R0.1 C=CC(O)CCC HR128085 [1,0,1,0,0,0|2,0,0]=4 380 B6R0.1 CCCC(N)CO HR112281 [1,0,1,0,0,0|0,0,1]=3 381 B6R0.1 CCCC(O)CO HR126914 [1,0,1,0,0,0|1,0,1]=4 382 B6R0.1 NC(CO)CCO HR104083 [1,0,1,0,0,0|1,0,1]=4 383 B6R0.3 C=C(CC)C(=O)O HR118672 [1,0,1,0,0,0|0,0,2]=4 384 B6R0.3 C=CC(N)C(=O)O HR139947 [1,0,1,0,0,0|0,0,2]=4 385 B6R0.3 C=CC(N)C(=O)O HR146204 [1,0,1,0,0,0|0,0,2]=4 386 B6R0.3 CC(CN)C(=O)O HR133030 [1,0,1,0,0,0|1,0,0]=3 387 B6R0.3 CCC(=O)C(=O)O HR128819 [1,0,1,0,0,0|1,0,1]=4 388 B6R0.3 CCC(Br)C(=O)Cl HR115509 [1,0,1,0,0,0|2,0,0]=4 389 B6R0.3 CCC(Br)C(=O)O HR123595 [1,0,1,0,0,0|1,0,0]=3 390 B6R0.3 CCC(C)C(=O)Cl HR144038 [1,0,1,0,0,0|1,0,0]=3 391 B6R0.3 CCC(C)C(=O)O HR124401 [1,0,1,0,0,0|0,0,0]=2 392 B6R0.3 CCC(C)C(=O)O HR124666 [1,0,1,0,0,0|0,0,0]=2 393 B6R0.3 CCC(C)C(N)=O HR115534 [1,0,1,0,0,0|1,0,0]=3 394 B6R0.3 CCC(Cl)C(=O)O HR104193 [1,0,1,0,0,0|1,0,0]=3 395 B6R0.3 CCC(Cl)C(=O)O HR104505 [1,0,1,0,0,0|1,0,0]=3 396 B6R0.3 CCC(N)B(O)O HR32532 [1,0,1,0,0,0|1,0,1]=4 397 B6R0.3 CCC(N)B(O)O HR32533 [1,0,1,0,0,0|1,0,1]=4 398 B6R0.3 CCC(N)C(=O)O HR100731 [1,0,1,0,0,0|0,0,0]=2 399 B6R0.3 CCC(N)C(=O)O HR128531 [1,0,1,0,0,0|0,0,0]=2 400 B6R0.3 CCC(N)C(=O)O HR128797 [1,0,1,0,0,0|0,0,0]=2 401 B6R0.3 CCC(N)C(=O)O HR130831 [1,0,1,0,0,0|0,0,0]=2 402 B6R0.3 CCC(N)C(=O)O VOJL00901 [1,0,1,0,0,0|0,0,0]=2 403 B6R0.3 CCC(N)C(N)=O HR113889 [1,0,1,0,0,0|1,0,0]=3 404 B6R0.3 CCC(N)C(N)=O HR133280 [1,0,1,0,0,0|1,0,0]=3 405 B6R0.3 CCC(O)C(=O)O HR145745 [1,0,1,0,0,0|1,0,0]=3 406 B6R0.3 CCC(O)C(=O)O HR8265 [1,0,1,0,0,0|1,0,0]=3 407 B6R0.3 CCC(S)C(C)=O HR124234 [1,0,1,0,0,0|2,0,0]=4 408 B6R0.3 CCN(C)C(=O)Cl HR16066 [1,0,1,0,0,0|2,0,0]=4 409 B6R0.3 CNC(C)C(=O)O HR126490 [1,0,1,0,0,0|0,0,0]=2 410 B6R0.3 CNC(C)C(=O)O HR131233 [1,0,1,0,0,0|0,0,0]=2 411 B6R0.3 CNC(C)C(=O)O HR138734 [1,0,1,0,0,0|0,0,0]=2 412 B6R0.3 CNC(C)C(=O)[O-] HR145674 [1,0,1,0,0,0|0,0,1]=3 413 B6R0.3 CSC(C)C(C)=O HR133684 [1,0,1,0,0,0|2,0,0]=4 414 B6R0.3 C\C=C(/C)C(=O)O HR127692 [1,0,1,0,0,0|0,0,2]=4 415 B6R0.3 C\C=C(/C)C(=O)O HR140908 [1,0,1,0,0,0|0,0,2]=4 416 B6R0.3 NC(=O)C(N)CO HR115072 [1,0,1,0,0,0|2,0,0]=4 417 B6R0.3 NC(CO)C(=O)O HR10704 [1,0,1,0,0,0|1,0,0]=3 418 B6R0.3 NC(CO)C(=O)O HR11003 [1,0,1,0,0,0|1,0,0]=3 419 B6R0.3 NC(CO)C(=O)O HR136009 [1,0,1,0,0,0|1,0,0]=3 420 B6R0.3 NC(CS)C(=O)O HR125082 [1,0,1,0,0,0|1,0,0]=3 421 B6R0.3 NC(CS)C(=O)O HR125295 [1,0,1,0,0,0|1,0,0]=3 422 B6R0.3 NC(CS)C(=O)O HR125344 [1,0,1,0,0,0|1,0,0]=3 423 B6R0.3 NC(CS)C(=O)O HR129167 [1,0,1,0,0,0|1,0,0]=3 424 B6R0.3 NC(CS)C(=O)O HR129315 [1,0,1,0,0,0|1,0,0]=3 425 B6R0.3 NC(CS)C(=O)O HR129684 [1,0,1,0,0,0|1,0,0]=3 426 B6R0.3 NC(CS)C(=O)O HR135781 [1,0,1,0,0,0|1,0,0]=3 427 B6R0.3 NC(CS)C(=O)O HR136316 [1,0,1,0,0,0|1,0,0]=3 428 B6R0.3 NC(C[SeH])C(=O)O HR101211 [1,0,1,0,0,0|1,0,0]=3 429 B6R0.3 NCC(N)C(=O)O HR101827 [1,0,1,0,0,0|1,0,0]=3 430 B6R0.3 NCC(N)C(=O)O HR120379 [1,0,1,0,0,0|1,0,0]=3 431 B6R0.3 NCC(N)C(=O)O HR130162 [1,0,1,0,0,0|1,0,0]=3 432 B6R0.3 NCC(N)C(=O)O HR137268 [1,0,1,0,0,0|1,0,0]=3 433 B6R0.3 NCC(O)C(=O)O HR126827 [1,0,1,0,0,0|2,0,0]=4 434 B6R0.3 NCC(O)C(=O)O HR145757 [1,0,1,0,0,0|2,0,0]=4 435 B6R0.3 NCC(O)C(=O)O HR145758 [1,0,1,0,0,0|2,0,0]=4 436 B6R0.3 O=C(O)C(Br)CBr HR128067 [1,0,1,0,0,0|2,0,0]=4 437 B6R0.3 O=C(O)C(Br)CO HR121810 [1,0,1,0,0,0|2,0,0]=4 438 B6R0.3 O=C(O)C(Cl)CCl HR102337 [1,0,1,0,0,0|2,0,0]=4 439 B6R0.9 CCC(CC)NC HR112023 [1,0,1,0,0,0|1,0,1]=4 440 B6R0.9 CCN(C=O)CC HR124940 [1,0,1,0,0,0|2,0,0]=4 441 B6R0.9 COC(C=O)OC IVSA07710 [1,0,1,0,0,0|2,0,0]=4 442 B6R1.2 BrC1CCCC1 HR146931 [2,0,0,0,0,0|2,0,0]=4 443 B6R1.2 CC1CCCN1 HR11117 [2,0,0,0,0,0|0,0,1]=3 444 B6R1.2 CC1CCCN1 HR136768 [2,0,0,0,0,0|0,0,1]=3 445 B6R1.2 CC1CCCN1 HR137719 [2,0,0,0,0,0|0,0,1]=3 446 B6R1.2 CC1CCCN1 HR137972 [2,0,0,0,0,0|0,0,1]=3 447 B6R1.2 CC1CCCN1 HR138237 [2,0,0,0,0,0|0,0,1]=3 448 B6R1.2 CC1CCCO1 HR10841 [2,0,0,0,0,0|1,0,1]=4 449 B6R1.2 ClC1CCCC1 HR100908 [2,0,0,0,0,0|2,0,0]=4 450 B6R1.2 NC1CCCC1 TRXM00901 [2,0,0,0,0,0|2,0,0]=4 451 B6R1.2 O=C1CCCC1 HR147576 [2,0,0,0,0,0|1,0,1]=4 452 B6R1.2 O=C1CCCN1 HR144424 [2,0,0,0,0,0|0,0,1]=3 453 B6R1.2 O=C1CCCN1 HR147307 [2,0,0,0,0,0|0,0,1]=3 454 B6R1.2 O=C1CCNN1 HR146471 [2,0,0,0,0,0|1,0,1]=4 455 B6R1.2 O=C1CNCN1 HR114619 [2,0,0,0,0,0|1,0,1]=4 456 B6R1.2 O=C1NCCN1 HR124833 [2,0,0,0,0,0|1,0,1]=4 457 B6R1.2 O=C1NCCN1 HR138382 [2,0,0,0,0,0|1,0,1]=4 458 B6R1.2 O=C1NCCO1 HR134554 [2,0,0,0,0,0|1,0,1]=4 459 B6R1.2 O=C1NCCS1 HR14582 [2,0,0,0,0,0|1,0,1]=4 460 B6R1.2 OC1CCNC1 HR122348 [2,0,0,0,0,0|2,0,0]=4 461 B6R1.2 OC1CCNC1 HR128986 [2,0,0,0,0,0|2,0,0]=4 462 B6R1.2 OC1CCNC1 HR135087 [2,0,0,0,0,0|2,0,0]=4 463 B6R1.2 OC1CCNC1 HR137212 [2,0,0,0,0,0|2,0,0]=4 464 B6R1.2 OC1CCNC1 HR137477 [2,0,0,0,0,0|2,0,0]=4 465 B6R1.2 OC1CCNC1 HR138968 [2,0,0,0,0,0|2,0,0]=4 466 B6R1.2 OC1CCOC1 HR133245 [2,0,0,0,0,0|2,0,0]=4 467 B6R1.2 OC1CCOC1 HR137216 [2,0,0,0,0,0|2,0,0]=4 468 B6R1.2 OC1CCOC1 HR16209 [2,0,0,0,0,0|2,0,0]=4 469 B6R1.2 OC1CCOC1 HR7071 [2,0,0,0,0,0|2,0,0]=4 470 B6R1.2 OC1CCSC1 HR122102 [2,0,0,0,0,0|2,0,0]=4 471 B6R1.2 SC1CCCC1 HR134369 [2,0,0,0,0,0|1,1,0]=4 472 B8R0.5 C#CCC(N)CC(=O)O HR107806 [0,1,1,0,0,0|1,0,1]=4 473 B8R0.5 C#CCC(N)CC(=O)O HR108120 [0,1,1,0,0,0|1,0,1]=4 474 B8R0.5 CCOC(=O)CC(=O)O HR125762 [0,1,1,0,0,0|2,0,0]=4 475 B8R0.6 C=CC(=O)CCCCC HR128010 [0,1,1,0,0,0|2,0,0]=4 476 B8R0.6 CCCCCC(=O)CI HR120235 [0,1,1,0,0,0|2,0,0]=4 477 B8R0.6 CCCCCC(=O)SC HR105293 [0,1,1,0,0,0|1,1,0]=4 478 B8R0.6 CCCCOC(=O)CO HR135884 [0,1,1,0,0,0|2,0,0]=4 479 B8R0.6 CCC\C=C\C(=O)OC HR101945 [0,1,1,0,0,0|1,0,1]=4 480 B8R0.6 CCC\C=C\C(=O)OC HR138885 [0,1,1,0,0,0|1,0,1]=4 481 B8R0.6 COC(=O)CCCCBr HR132792 [0,1,1,0,0,0|1,0,0]=3 482 B8R0.6 COC(=O)CCCCCl HR117426 [0,1,1,0,0,0|1,0,0]=3 483 B8R0.6 COC(=O)COCCCl HR118852 [0,1,1,0,0,0|2,0,0]=4 484 B8R0.6 COCCCC(=O)OC HR115734 [0,1,1,0,0,0|2,0,0]=4 485 B8R0.7 C#CCCCCC(=O)O HR102532 [0,1,1,0,0,0|1,0,0]=3 486 B8R0.7 CC(=O)NCCCCN HR118654 [0,1,1,0,0,0|1,0,0]=3 487 B8R0.7 CC(=O)OCCCCBr HR131090 [0,1,1,0,0,0|2,0,0]=4 488 B8R0.7 CC(=O)OCCCCCl HR122635 [0,1,1,0,0,0|2,0,0]=4 489 B8R0.7 CCCCCCC(=O)Cl HR135566 [0,1,1,0,0,0|2,0,0]=4 490 B8R0.7 CCCCCCC(=O)[O-] HR123614 [0,1,1,0,0,0|1,0,1]=4 491 B8R0.7 CCCCCCC(C)=O HR138624 [0,1,1,0,0,0|2,0,0]=4 492 B8R0.7 CCCCCOC(=O)Cl HR137197 [0,1,1,0,0,0|2,0,0]=4 493 B8R0.7 CCCCOCC(=O)O HR124559 [0,1,1,0,0,0|1,0,0]=3 494 B8R0.7 COCCOCC(=O)O HR131950 [0,1,1,0,0,0|1,0,0]=3 495 B8R0.7 N=C(N)NCCCCN HR135389 [0,1,1,0,0,0|2,0,0]=4 496 B8R0.7 NCCCCCC(=O)O HR123389 [0,1,1,0,0,0|0,0,0]=2 497 B8R0.7 NCCCCCC(=O)O HR140316 [0,1,1,0,0,0|0,0,0]=2 498 B8R0.7 O=C(Cl)CCCCCBr HR130949 [0,1,1,0,0,0|2,0,0]=4 499 B8R0.7 O=C(Cl)CCCCCCl HR101723 [0,1,1,0,0,0|2,0,0]=4 500 B8R0.7 O=C(O)CCCCCBr HR131936 [0,1,1,0,0,0|1,0,0]=3 501 B8R0.7 O=C(O)CCCCCCl HR131336 [0,1,1,0,0,0|1,0,0]=3 502 B8R0.8 CCCCC(Br)C(=O)O HR127260 [0,1,1,0,0,0|1,0,0]=3 503 B8R0.8 CCCCC(C)C(=O)O HR121647 [0,1,1,0,0,0|1,0,0]=3 504 B8R0.8 CCCCC(N)C(=O)O HR133839 [0,1,1,0,0,0|1,0,0]=3 505 B8R0.8 CCCCC(N)C(=O)O HR134634 [0,1,1,0,0,0|1,0,0]=3 506 B8R0.8 CCCCC(N)C(=O)O HR134894 [0,1,1,0,0,0|1,0,0]=3 507 B8R0.8 CSCCC(N)C(=O)O HR100026 [0,1,1,0,0,0|2,0,0]=4 508 B8R0.8 CSCCC(N)C(=O)O HR123144 [0,1,1,0,0,0|2,0,0]=4 509 B8R0.8 CSCCC(N)C(=O)O HR123406 [0,1,1,0,0,0|2,0,0]=4 510 B8R0.8 CSCCC(N)C(=O)O HR132929 [0,1,1,0,0,0|2,0,0]=4 511 B8R0.8 CSCCC(N)C(=O)O HR137287 [0,1,1,0,0,0|2,0,0]=4 512 B8R0.8 CSCCC(N)[13C](=O)O HR140512 [0,1,1,0,0,0|2,0,0]=4 513 B8R0.8 CSCCC(O)C(=O)O HR136742 [0,1,1,0,0,0|2,0,0]=4 514 B8R0.8 C[35S]CCC(N)C(=O)O HR143199 [0,1,1,0,0,0|2,0,0]=4 515 B8R0.8 C[Se]CCC(N)C(=O)O HR129810 [0,1,1,0,0,0|2,0,0]=4 516 B8R0.8 NC(CCCO)C(=O)O HR114281 [0,1,1,0,0,0|1,0,0]=3 517 B8R0.8 NCCCC(N)C(=O)O HR123396 [0,1,1,0,0,0|0,0,0]=2 518 B8R0.8 NCCCC(N)C(=O)O HR123926 [0,1,1,0,0,0|0,0,0]=2 519 B8R0.8 NCCCC(N)C(=O)O HR124308 [0,1,1,0,0,0|0,0,0]=2 520 B8R0.8 NCCCC(N)C(=O)O HR135672 [0,1,1,0,0,0|0,0,0]=2 521 B8R0.8 NCCCC(N)C(=O)O HR142321 [0,1,1,0,0,0|0,0,0]=2 522 B8R0.8 NCCCC(N)C(=O)O HR143440 [0,1,1,0,0,0|0,0,0]=2 523 B8R0.8 NCCCC(N)C(=O)O ORJL01301 [0,1,1,0,0,0|0,0,0]=2 524 B8R0.9 C=CC(N)CCC(=O)O HR134815 [0,1,1,0,0,0|1,0,1]=4 525 B8R0.9 NCC(=O)CCC(=O)O HR115792 [0,1,1,0,0,0|0,0,1]=3 526 B8R0.9 NCC(=O)CCC(=O)O HR124289 [0,1,1,0,0,0|0,0,1]=3 527 B8R0.9 NCC(=O)NCC(=O)O HR100015 [0,1,1,0,0,0|1,0,1]=4 528 B8R0.28 CC(=O)CCCC(C)C HR145408 [0,1,1,0,0,0|2,0,0]=4 529 B8R0.28 CN(C)CCCC(=O)O HR125161 [0,1,1,0,0,0|2,0,0]=4 530 B8R0.28 N=C(N)NCCC(=O)O HR123675 [0,1,1,0,0,0|1,0,1]=4 531 B8R0.28 O=C(O)CCCC(=O)O HR132258 [0,1,1,0,0,0|1,0,1]=4 532 B8R0.28 O=C(O)CNCC(=O)O HR138649 [0,1,1,0,0,0|1,0,1]=4 533 B8R0.2 CCC(C)C(=O)C(=O)O HR136223 [0,1,1,0,0,0|1,0,1]=4 534 B8R0.2 CCC(C)C(Cl)C(=O)O HR103573 [0,1,1,0,0,0|1,0,0]=3 535 B8R0.2 CCC(C)C(N)C(=O)O HR122107 [0,1,1,0,0,0|0,0,0]=2 536 B8R0.2 CCC(C)C(N)C(=O)O HR126392 [0,1,1,0,0,0|0,0,0]=2 537 B8R0.2 CCC(C)C(N)C(=O)O HR126596 [0,1,1,0,0,0|0,0,0]=2 538 B8R0.2 CCC(C)C(N)C(=O)O HR129264 [0,1,1,0,0,0|0,0,0]=2 539 B8R0.2 CCC(C)C(N)C(=O)O HR134488 [0,1,1,0,0,0|0,0,0]=2 540 B8R0.2 CCC(C)C(N)C(N)=O HR114403 [0,1,1,0,0,0|1,0,0]=3 541 B8R0.2 COC(=O)C(C)C(=O)O HR103977 [0,1,1,0,0,0|2,0,0]=4 542 B8R0.2 COC(C)C(N)C(=O)O HR109877 [0,1,1,0,0,0|1,0,0]=3 543 B8R0.2 COC(C)C(N)C(=O)O HR143103 [0,1,1,0,0,0|1,0,0]=3 544 B8R0.2 O=C(O)C(O)C(O)CO HR18483 [0,1,1,0,0,0|2,0,0]=4 545 B8R0.3 CCCC(Br)C(=O)OC HR135374 [0,1,1,0,0,0|1,0,0]=3 546 B8R0.3 CCCC(N)C(=O)OC HR141930 [0,1,1,0,0,0|0,0,0]=2 547 B8R0.3 COC(=O)C(Br)CCBr HR133814 [0,1,1,0,0,0|2,0,0]=4 548 B8R0.12 C=CCC(C)(N)C(=O)O HR119366 [0,1,1,0,0,0|0,0,2]=4 549 B8R0.12 C=CCC(C)(N)C(=O)O HR139311 [0,1,1,0,0,0|0,0,2]=4 550 B8R0.12 CC(C)(CCN)C(=O)O HR32699 [0,1,1,0,0,0|2,0,0]=4 551 B8R0.12 CCCC(C)(C)C(=O)O HR112968 [0,1,1,0,0,0|1,0,0]=3 552 B8R0.12 CCOC(C)(C)C(=O)O HR118727 [0,1,1,0,0,0|1,0,0]=3 553 B8R0.23 CC(=O)NC(C)C(=O)O HR123754 [0,1,1,0,0,0|0,0,1]=3 554 B8R0.23 CC(=O)NC(C)C(=O)O HR130455 [0,1,1,0,0,0|0,0,1]=3 555 B8R0.23 CC(=O)NC(C)C(=O)O HR139475 [0,1,1,0,0,0|0,0,1]=3 556 B8R0.23 CC(=O)NC(C)C(N)=O HR123489 [0,1,1,0,0,0|1,0,1]=4 557 B8R0.23 CC(=O)OC(C)C(=O)O HR114068 [0,1,1,0,0,0|1,0,1]=4 558 B8R0.23 CC(=O)OC(C)C(=O)O HR117573 [0,1,1,0,0,0|1,0,1]=4 559 B8R0.23 CC(C)CC(=O)C(=O)O HR122104 [0,1,1,0,0,0|1,0,1]=4 560 B8R0.23 CC(C)CC(Br)C(=O)O HR148644 [0,1,1,0,0,0|1,0,0]=3 561 B8R0.23 CC(C)CC(Cl)C(=O)O HR103256 [0,1,1,0,0,0|1,0,0]=3 562 B8R0.23 CC(C)CC(N)B(O)O HR32490 [0,1,1,0,0,0|1,0,1]=4 563 B8R0.23 CC(C)CC(N)B(O)O HR32534 [0,1,1,0,0,0|1,0,1]=4 564 B8R0.23 CC(C)CC(N)B(O)O HR32540 [0,1,1,0,0,0|1,0,1]=4 565 B8R0.23 CC(C)CC(N)B(O)O HR32541 [0,1,1,0,0,0|1,0,1]=4 566 B8R0.23 CC(C)CC(N)C(=O)O HR120455 [0,1,1,0,0,0|0,0,0]=2 567 B8R0.23 CC(C)CC(N)C(=O)O HR133560 [0,1,1,0,0,0|0,0,0]=2 568 B8R0.23 CC(C)CC(N)C(=O)O HR134259 [0,1,1,0,0,0|0,0,0]=2 569 B8R0.23 CC(C)CC(N)C(=O)O TYJB00201 [0,1,1,0,0,0|0,0,0]=2 570 B8R0.23 CC(C)CC(N)C(N)=O HR116634 [0,1,1,0,0,0|1,0,0]=3 571 B8R0.23 CC(C)CC(O)C(=O)O HR104232 [0,1,1,0,0,0|1,0,0]=3 572 B8R0.23 CC(C)CC(O)C(=O)O HR121662 [0,1,1,0,0,0|1,0,0]=3 573 B8R0.23 CS(=O)CC(N)C(=O)O HR134447 [0,1,1,0,0,0|1,0,0]=3 574 B8R0.23 NC(=O)CC(N)C(=O)O HR128740 [0,1,1,0,0,0|1,0,1]=4 575 B8R0.23 NC(=O)CC(N)C(=O)O HR129004 [0,1,1,0,0,0|1,0,1]=4 576 B8R0.23 NC(=O)CC(N)C(=O)O HR129935 [0,1,1,0,0,0|1,0,1]=4 577 B8R0.23 NC(=O)CC(N)C(=O)O HR133228 [0,1,1,0,0,0|1,0,1]=4 578 B8R0.23 NC(=O)CC(N)C(=O)O HR133501 [0,1,1,0,0,0|1,0,1]=4 579 B8R0.23 NC(CC(=O)O)C(=O)O HR126814 [0,1,1,0,0,0|1,0,1]=4 580 B8R0.23 NC(CC(=O)O)C(=O)O HR135475 [0,1,1,0,0,0|1,0,1]=4 581 B8R0.23 NC(CC(=O)O)C(=O)O TECQ02802 [0,1,1,0,0,0|1,0,1]=4 582 B8R0.23 NC(CC(=O)[O-])C(=O)O HR125029 [0,1,1,0,0,0|1,0,1]=4 583 B8R0.18 CC(C)C(CN)C(=O)O HR100533 [0,1,1,0,0,0|2,0,0]=4 584 B8R0.18 CCC(C(=O)O)C(=O)O HR127056 [0,1,1,0,0,0|2,0,0]=4 585 B8R0.18 CCC(C(=O)O)C(=O)O HR137115 [0,1,1,0,0,0|2,0,0]=4 586 B8R0.18 CNC(C(=O)O)C(C)C HR116560 [0,1,1,0,0,0|0,0,0]=2 587 B8R0.18 CNC(C(=O)O)C(C)O HR116881 [0,1,1,0,0,0|0,0,0]=2 588 B8R0.20 COC(=O)C(OC)OC HR134919 [0,1,1,0,0,0|2,0,0]=4 589 B8R0.36 CCC(C)(CC)C(=O)O HR132706 [0,1,1,0,0,0|1,0,0]=3 590 B8R0.36 CCC(N)(CC)C(=O)O HR132313 [0,1,1,0,0,0|1,0,0]=3 591 B8R1.1 C=CC1CCC(=O)N1 HR117010 [1,1,0,0,0,0|1,0,1]=4 592 B8R1.1 O=C1CCC(CO)N1 HR107754 [1,1,0,0,0,0|0,0,2]=4 593 B8R1.1 O=C1CCC(CO)N1 HR126441 [1,1,0,0,0,0|0,0,2]=4 594 B8R1.1 O=C1CCC(CO)N1 HR130096 [1,1,0,0,0,0|0,0,2]=4 595 B8R1.1 OCC1CC(F)CN1 HR118791 [1,1,0,0,0,0|0,0,1]=3 596 B8R1.8 COCC1CCCN1 HR112924 [1,1,0,0,0,0|0,0,1]=3 597 B8R1.8 COCC1CCCN1 HR118289 [1,1,0,0,0,0|0,0,1]=3 598 B8R1.8 O=C=NC1CCCC1 HR120079 [1,1,0,0,0,0|1,0,1]=4 599 B8R1.8 OCCC1CCCC1 HR111073 [1,1,0,0,0,0|1,0,1]=4 600 B8R1.8 OCCC1CCCN1 HR100505 [1,1,0,0,0,0|0,0,1]=3 601 B8R1.11 CN1CCCC1CO HR103689 [1,1,0,0,0,0|0,0,1]=3 602 B8R1.11 CN1CCCC1CO HR123222 [1,1,0,0,0,0|0,0,1]=3 603 B8R1.11 CN1CCCC1CO HR137677 [1,1,0,0,0,0|0,0,1]=3 604 B8R1.11 NC1CCCC1CO HR120947 [1,1,0,0,0,0|1,0,1]=4 605 B8R1.52 NC1(CO)CCCC1 HR105910 [1,1,0,0,0,0|1,0,1]=4 606 B8R1.52 OCC1(F)CCCC1 HR34071 [1,1,0,0,0,0|1,0,1]=4 607 B8R1.23 C=C1CC(C(=O)O)C1 HR113918 [0,1,0,0,1,0|0,0,1]=3 608 B8R1.23 CC(=O)N1CC(O)C1 HR102223 [0,1,0,0,1,0|2,0,0]=4 609 B8R1.23 CC1CC(C(=O)O)C1 HR111453 [0,1,0,0,1,0|0,0,0]=2 610 B8R1.23 CN1CC(C(=O)O)C1 HR148501 [0,1,0,0,1,0|1,0,0]=3 611 B8R1.23 NC1CC(C(=O)O)C1 HR109482 [0,1,0,0,1,0|0,0,0]=2 612 B8R1.23 NC1CC(C(=O)O)C1 HR146903 [0,1,0,0,1,0|0,0,0]=2 613 B8R1.23 O=C(O)C1CC(F)C1 HR107590 [0,1,0,0,1,0|0,0,0]=2 614 B8R1.23 O=C(O)C1CC(O)C1 HR139037 [0,1,0,0,1,0|0,0,0]=2 615 B8R1.23 O=C(O)C1CC(O)C1 HR148529 [0,1,0,0,1,0|0,0,0]=2 616 B8R1.23 O=C1CC(C(=O)O)C1 HR14220 [0,1,0,0,1,0|0,0,1]=3 617 B8R1.38 COC(=O)C1CCC1 HR141345 [0,1,0,0,1,0|0,0,0]=2 618 B8R1.38 COC(=O)C1CCN1 HR105944 [0,1,0,0,1,0|0,0,0]=2 619 B8R1.38 COC(=O)C1CNC1 HR118307 [0,1,0,0,1,0|1,0,0]=3 620 B8R1.38 COC(=O)C1CNC1 HR138569 [0,1,0,0,1,0|1,0,0]=3 621 B8R1.78 CC1(C(=O)O)CCC1 HR114206 [0,1,0,0,1,0|0,0,0]=2 622 B8R1.78 CC1(C(=O)O)COC1 HR120334 [0,1,0,0,1,0|1,0,0]=3 623 B8R1.78 NC1(C(=O)O)CCC1 HR117609 [0,1,0,0,1,0|0,0,0]=2 624 B8R1.78 NC1(C(=O)O)CCC1 HR127410 [0,1,0,0,1,0|0,0,0]=2 625 B8R1.78 NC1(C(=O)O)CNC1 HR115538 [0,1,0,0,1,0|1,0,0]=3 626 B8R1.78 NC1(C(=O)O)COC1 HR113214 [0,1,0,0,1,0|1,0,0]=3 627 B8R1.78 NC1(C(=O)O)CSC1 HR112269 [0,1,0,0,1,0|1,0,0]=3 628 B10R1.13 CC(=O)C1CCN(C)CC1 HR121615 [0,1,0,0,0,1|2,0,0]=4 629 B10R1.13 CC1CCC(C(=O)O)CC1 HR107029 [0,1,0,0,0,1|1,0,0]=3 630 B10R1.13 CC1CCC(C(=O)O)CC1 HR130857 [0,1,0,0,0,1|1,0,0]=3 631 B10R1.13 CN1CCC(C(=O)Cl)CC1 LAXF01503 [0,1,0,0,0,1|2,0,0]=4 632 B10R1.13 CN1CCC(C(=O)O)CC1 HR7222 [0,1,0,0,0,1|1,0,0]=3 633 B10R1.13 CN1CCC(C(N)=O)CC1 HR123284 [0,1,0,0,0,1|2,0,0]=4 634 B10R1.13 NC1CCC(C(=O)O)CC1 HR110435 [0,1,0,0,0,1|1,0,0]=3 635 B10R1.13 NC1CCC(C(=O)O)CC1 HR112676 [0,1,0,0,0,1|1,0,0]=3 636 B10R1.13 NC1CCC(C(=O)O)CC1 HR141142 [0,1,0,0,0,1|1,0,0]=3 637 B10R1.13 NC1CCC(C(=O)O)CC1 HR141339 [0,1,0,0,0,1|1,0,0]=3 638 B10R1.13 O=C(O)C1CCC(O)CC1 HR111589 [0,1,0,0,0,1|1,0,0]=3 639 B10R1.13 O=C(O)C1CCC(O)CC1 HR138143 [0,1,0,0,0,1|1,0,0]=3 640 B10R1.13 O=C(O)C1CCC(O)CN1 HR149371 [0,1,0,0,0,1|0,0,0]=2 641 B10R1.13 O=C(O)C1CCC(O)CN1 HR149717 [0,1,0,0,0,1|0,0,0]=2 642 B10R1.13 O=C(O)C1CCC(O)CN1 REJL03213 [0,1,0,0,0,1|0,0,0]=2 643 B10R1.13 O=C1CCC(C(=O)O)CC1 HR109507 [0,1,0,0,0,1|1,0,0]=3 644 B10R1.13 O=C1CCC(C(=O)O)CN1 HR121983 [0,1,0,0,0,1|0,0,1]=3 645 B10R1.13 O=C1CCC(C(=O)O)NC1 HR150904 [0,1,0,0,0,1|0,0,0]=2 646 B10R1.15 CCC(O)C1CCCCN1 HR149513 [0,1,0,0,0,1|1,0,1]=4 647 B10R1.15 COC(=O)C1=CCCCC1 HR121578 [0,1,0,0,0,1|1,0,1]=4 648 B10R1.15 COC(=O)C1CC=CCC1 HR102764 [0,1,0,0,0,1|1,0,1]=4 649 B10R1.15 COC(=O)C1CCCCC1 HR127427 [0,1,0,0,0,1|1,0,0]=3 650 B10R1.15 COC(=O)C1CCCCN1 HR134340 [0,1,0,0,0,1|0,0,0]=2 651 B10R1.15 COC(=O)C1CCCCN1 HR141352 [0,1,0,0,0,1|0,0,0]=2 652 B10R1.15 COC(=O)C1CCCCN1 HR146215 [0,1,0,0,0,1|0,0,0]=2 653 B10R1.15 COC(=O)C1CCCCN1 HR147037 [0,1,0,0,0,1|0,0,0]=2 654 B10R1.15 COC(=O)C1CCCCN1 HR149571 [0,1,0,0,0,1|0,0,0]=2 655 B10R1.15 COC(=O)C1CCCCO1 HR111691 [0,1,0,0,0,1|1,0,0]=3 656 B10R1.15 COC(=O)C1CCCNC1 HR116377 [0,1,0,0,0,1|0,0,0]=2 657 B10R1.15 COC(=O)C1CCCNC1 HR122421 [0,1,0,0,0,1|0,0,0]=2 658 B10R1.15 COC(=O)C1CCCNC1 HR128867 [0,1,0,0,0,1|0,0,0]=2 659 B10R1.15 COC(=O)C1CCCOC1 HR112323 [0,1,0,0,0,1|1,0,0]=3 660 B10R1.15 COC(=O)C1CCNCC1 HR124539 [0,1,0,0,0,1|1,0,0]=3 661 B10R1.15 COC(=O)C1CCNCC1 HR150960 [0,1,0,0,0,1|1,0,0]=3 662 B10R1.15 COC(=O)C1CCOCC1 HR138797 [0,1,0,0,0,1|1,0,0]=3 663 B10R1.15 COC(=O)C1CNCCN1 HR103724 [0,1,0,0,0,1|0,0,0]=2 664 B10R1.15 COC(=O)C1CNCCO1 HR145990 [0,1,0,0,0,1|1,0,0]=3 665 B10R1.15 COC(=O)C1COCCN1 HR116275 [0,1,0,0,0,1|0,0,0]=2 666 B10R1.15 COC(=O)N1CCNCC1 HR143965 [0,1,0,0,0,1|2,0,0]=4 667 B10R1.15 O=C(CBr)C1CCCCC1 HR107396 [0,1,0,0,0,1|2,0,0]=4 668 B10R1.61 CC(=O)C1CCCCC1=O HR112833 [0,1,0,0,0,1|2,0,0]=4 669 B10R1.61 CC1CCCNC1C(=O)O HR149731 [0,1,0,0,0,1|0,0,0]=2 670 B10R1.61 CC1OCCNC1C(=O)O HR146208 [0,1,0,0,0,1|0,0,0]=2 671 B10R1.61 CN1CCCCC1C(=O)O HR149395 [0,1,0,0,0,1|0,0,0]=2 672 B10R1.61 CN1CCCCC1C(=O)O HR149713 [0,1,0,0,0,1|0,0,0]=2 673 B10R1.61 CN1CCCCC1C(=O)O HR8006 [0,1,0,0,0,1|0,0,0]=2 674 B10R1.61 NC(=O)C1CCCCC1=O OCSA04401 [0,1,0,0,0,1|2,0,0]=4 675 B10R1.61 NC1CC=CCC1C(=O)O HR100610 [0,1,0,0,0,1|1,0,1]=4 676 B10R1.61 NC1CCCCC1C(=O)O HR111384 [0,1,0,0,0,1|1,0,0]=3 677 B10R1.61 O=C(O)C1CCCCC1O HR120029 [0,1,0,0,0,1|1,0,0]=3 678 B10R1.61 O=C(O)C1CCCNC1=O HR145809 [0,1,0,0,0,1|0,0,0]=2 679 B10R1.61 O=C(O)C1CCNCC1F HR151057 [0,1,0,0,0,1|1,0,0]=3 680 B10R1.61 O=C(O)C1CNCCC1=O HR113286 [0,1,0,0,0,1|0,0,1]=3 681 B10R1.113 CC1CCCC(C(=O)O)N1 HR114833 [0,1,0,0,0,1|0,0,0]=2 682 B10R1.113 CC1CCNC(C(=O)O)C1 HR116329 [0,1,0,0,0,1|0,0,0]=2 683 B10R1.113 CN1CCCC(C(N)=O)C1 HR103587 [0,1,0,0,0,1|1,0,0]=3 684 B10R1.113 CN1CCNC(C(=O)O)C1 HR120573 [0,1,0,0,0,1|0,0,0]=2 685 B10R1.113 NC1CCCC(C(=O)O)C1 HR104601 [0,1,0,0,0,1|1,0,0]=3 686 B10R1.113 NC1CCCC(C(=O)O)C1 HR112328 [0,1,0,0,0,1|1,0,0]=3 687 B10R1.113 NC1CCCC(C(=O)O)C1 HR145740 [0,1,0,0,0,1|1,0,0]=3 688 B10R1.113 NC1CCCC(C(=O)O)C1 HR145741 [0,1,0,0,0,1|1,0,0]=3 689 B10R1.113 NC1CCCC(C(=O)O)C1 HR145763 [0,1,0,0,0,1|1,0,0]=3 690 B10R1.113 NC1CCCC(C(=O)O)C1 HR145764 [0,1,0,0,0,1|1,0,0]=3 691 B10R1.113 NC1CCCC(C(=O)O)C1 HR145765 [0,1,0,0,0,1|1,0,0]=3 692 B10R1.113 O=C(O)C1CC(O)CCN1 HR149703 [0,1,0,0,0,1|0,0,0]=2 693 B10R1.113 O=C(O)C1CC(O)CCN1 HR149784 [0,1,0,0,0,1|0,0,0]=2 694 B10R1.113 O=C(O)C1CNCC(O)C1 HR102727 [0,1,0,0,0,1|0,0,0]=2 695 B10R1.113 O=C1CC(C(=O)O)CCN1 HR148708 [0,1,0,0,0,1|1,0,1]=4 696 B10R1.113 O=C1CCCC(C(=O)O)C1 HR112017 [0,1,0,0,0,1|1,0,0]=3 697 B10R1.113 O=C1CCCC(C(=O)O)N1 HR105564 [0,1,0,0,0,1|0,0,0]=2 698 B10R1.113 O=C1CCCC(C(=O)O)N1 HR121169 [0,1,0,0,0,1|0,0,0]=2 699 B10R1.113 O=C1CCCC(C(=O)O)N1 HR149427 [0,1,0,0,0,1|0,0,0]=2 700 B10R1.113 O=C1CCNC(C(=O)O)C1 HR114863 [0,1,0,0,0,1|0,0,0]=2 701 B10R1.113 O=C1CCNC(C(=O)O)C1 HR150929 [0,1,0,0,0,1|0,0,0]=2 702 B10R1.363 CC1(C(=O)O)CCCCC1 HR140229 [0,1,0,0,0,1|1,0,0]=3 703 B10R1.363 CC1(C(=O)O)CCCCN1 HR148807 [0,1,0,0,0,1|0,0,0]=2 704 B10R1.363 CC1(C(=O)O)CCCNC1 HR145713 [0,1,0,0,0,1|0,0,0]=2 705 B10R1.363 CC1(C(=O)O)CCNCC1 HR109385 [0,1,0,0,0,1|1,0,0]=3 706 B10R1.363 CC1(C(=O)O)CCOCC1 HR115923 [0,1,0,0,0,1|1,0,0]=3 707 B10R1.363 NC1(C(=O)O)CCCCC1 HR132436 [0,1,0,0,0,1|1,0,0]=3 708 B10R1.363 NC1(C(=O)O)CCCNC1 HR114630 [0,1,0,0,0,1|0,0,0]=2 709 B10R1.363 NC1(C(=O)O)CCNCC1 HR142999 [0,1,0,0,0,1|1,0,0]=3 710 B10R1.363 NC1(C(=O)O)CCOCC1 HR117511 [0,1,0,0,0,1|1,0,0]=3 711 B10R1.363 O=C(O)C1(F)CCNCC1 HR149749 [0,1,0,0,0,1|1,0,0]=3 712 B10R1.363 O=C(O)C1(F)CCOCC1 HR109339 [0,1,0,0,0,1|1,0,0]=3 713 B10R1.363 O=C(O)C1(O)CCCCC1 HR100196 [0,1,0,0,0,1|1,0,0]=3 714 B10R1.23 NC(C(=O)O)C1CCCC1 HR124579 [0,1,0,0,0,1|1,0,0]=3 715 B10R1.27 COC(=O)CC1CCNC1 HR146114 [0,1,0,0,0,1|2,0,0]=4 716 B10R1.54 O=C(O)CC1CCC(=O)C1 HR145769 [0,1,0,0,0,1|1,0,1]=4 717 B10R1.54 O=C(O)CC1CCC(=O)N1 HR145770 [0,1,0,0,0,1|0,0,1]=3 718 B10R1.54 O=C(O)CC1CCC(=O)N1 HR145771 [0,1,0,0,0,1|0,0,1]=3 719 B10R1.54 O=C(O)CC1CCC(=O)O1 HR145772 [0,1,0,0,0,1|1,0,1]=4 720 B10R1.54 O=C(O)CC1CCC(=O)O1 HR145773 [0,1,0,0,0,1|1,0,1]=4 721 B10R1.54 O=C(O)CC1CCC(=O)O1 HR145774 [0,1,0,0,0,1|1,0,1]=4 722 B10R1.54 O=C(O)CN1CCC(O)C1 HR146198 [0,1,0,0,0,1|2,0,0]=4 723 B10R1.54 O=C(O)CN1CCC(O)C1 HR146199 [0,1,0,0,0,1|2,0,0]=4 724 B10R1.54 O=C(O)CN1CCC(O)C1 HR146200 [0,1,0,0,0,1|2,0,0]=4 725 B10R1.64 O=C(O)CN1CCCC1=O HR147099 [0,1,0,0,0,1|2,0,0]=4 726 B10R1.6 COC(C)(C)C1CCCN1 HR147781 [0,2,0,0,0,0|1,0,1]=4 727 B10R1.11 CCOC(=O)C1CCCN1 HR116066 [0,2,0,0,0,0|0,0,0]=2 728 B10R1.11 CCOC(=O)C1CCCO1 HR134451 [0,2,0,0,0,0|1,0,0]=3 729 B10R1.11 CCOC(=O)C1CCNC1 HR114546 [0,2,0,0,0,0|2,0,0]=4 730 B10R1.11 CCOC(=O)C1CCNC1 HR148446 [0,2,0,0,0,0|2,0,0]=4 731 B10R1.11 CCOC(=O)C1CCNC1 HR149036 [0,2,0,0,0,0|2,0,0]=4 732 B10R1.11 CCOC(=O)C1CSCN1 HR128220 [0,2,0,0,0,0|1,0,0]=3 733 B10R1.11 CCOC(=O)C1SCCS1 HR101514 [0,2,0,0,0,0|2,0,0]=4 734 B10R1.11 N#CCC(=O)C1CCCC1 HR102313 [0,2,0,0,0,0|2,0,0]=4 735 B10R1.14 COC(=O)C1CC(F)CN1 HR150376 [0,2,0,0,0,0|0,0,0]=2 736 B10R1.14 COC(=O)C1CC(F)CN1 HR150377 [0,2,0,0,0,0|0,0,0]=2 737 B10R1.14 COC(=O)C1CC(O)CN1 HR119411 [0,2,0,0,0,0|0,0,0]=2 738 B10R1.14 COC(=O)C1CC(O)CN1 HR124759 [0,2,0,0,0,0|0,0,0]=2 739 B10R1.14 COC(=O)C1CC(O)CN1 HR144354 [0,2,0,0,0,0|0,0,0]=2 740 B10R1.14 COC(=O)C1CCC(=O)C1 HR111383 [0,2,0,0,0,0|1,0,1]=4 741 B10R1.14 COC(=O)C1CCC(=O)N1 HR128265 [0,2,0,0,0,0|0,0,1]=3 742 B10R1.14 COC(=O)C1CCC(=O)N1 HR149022 [0,2,0,0,0,0|0,0,1]=3 743 B10R1.149 COC(=O)C1CCCC1=O HR131357 [0,2,0,0,0,0|1,0,0]=3 744 B10R1.149 COC(=O)C1CCCC1N HR103325 [0,2,0,0,0,0|1,0,0]=3 745 B10R1.149 COC(=O)C1CCCC1N HR106774 [0,2,0,0,0,0|1,0,0]=3 746 B10R1.149 COC(=O)C1CCCC1O HR119329 [0,2,0,0,0,0|1,0,0]=3 747 B10R1.149 COC(=O)C1CNCC1C HR120921 [0,2,0,0,0,0|2,0,0]=4 748 B10R1.149 COC(=O)C1COCC1=O HR146330 [0,2,0,0,0,0|2,0,0]=4 749 B10R1.149 COC(=O)C1SCCC1=O HR107928 [0,2,0,0,0,0|1,0,1]=4 750 B10R1.411 COC(=O)C1(N)CCCC1 HR130689 [0,2,0,0,0,0|1,0,0]=3 751 B10R1.411 COC(=O)C1(N)CCCC1 HR146182 [0,2,0,0,0,0|1,0,0]=3 752 B10R1.31 N#CC1CNC(C(=O)O)C1 HR142411 [0,2,0,0,0,0|0,0,0]=2 753 B10R1.194 CN1C(=O)CCC1C(=O)O HR33731 [0,2,0,0,0,0|0,0,1]=3 754 B10R1.359 CC1(C)OCC(C(=O)O)O1 HR120806 [0,2,0,0,0,0|2,0,0]=4 755 B10R1.359 CC1(C)OCC(C(=O)O)O1 HR146774 [0,2,0,0,0,0|2,0,0]=4 756 B10R1.359 NC(=O)C1CC(F)(F)CN1 HR149038 [0,2,0,0,0,0|1,0,0]=3 757 B10R1.359 O=C(O)C1CC(F)(F)CN1 HR150225 [0,2,0,0,0,0|0,0,0]=2 758 B10R1.359 O=C(O)C1CC(F)(F)CN1 HR150383 [0,2,0,0,0,0|0,0,0]=2 759 B10R1.359 O=C(O)C1CCC(F)(F)C1 HR151257 [0,2,0,0,0,0|1,0,0]=3 760 B10R1.39 CCN1CCCC1C(N)=O HR108915 [0,2,0,0,0,0|1,0,0]=3 761 B10R1.39 O=NN1CCCC1C(=O)O HR139409 [0,2,0,0,0,0|0,0,0]=2 762 B10R1.128 CC1(C)CNCC1C(=O)O HR148628 [0,2,0,0,0,0|2,0,0]=4 763 B10R1.128 C[N+]1(C)CCCC1C(=O)O HR135717 [0,2,0,0,0,0|0,0,1]=3 764 B10R1.128 C[N+]1(C)CCCC1C(=O)[O-] HR138922 [0,2,0,0,0,0|0,0,2]=4 765 B8R1.4 CC1CCCC(=O)C1 HR143817 [0,0,1,1,0,0|2,0,0]=4 766 B8R1.4 CC1CNCC(C)O1 HR130869 [0,0,1,1,0,0|1,0,1]=4 767 B8R1.4 CC1CNCC(C)O1 HR133276 [0,0,1,1,0,0|1,0,1]=4 768 B8R1.4 CC1CNCC(C)O1 HR145914 [0,0,1,1,0,0|1,0,1]=4 769 B8R1.4 CC1CNCC(C)O1 HR145915 [0,0,1,1,0,0|1,0,1]=4 770 B8R1.4 NC1=CC(=O)CCC1 HR114131 [0,0,1,1,0,0|1,0,1]=4 771 B8R1.4 NC1CCCC(O)C1 HR12673 [0,0,1,1,0,0|1,0,1]=4 772 B8R1.4 NC1CCNC(=O)C1 HR107374 [0,0,1,1,0,0|2,0,0]=4 773 B8R1.4 NC1CCNC(=O)C1 HR113606 [0,0,1,1,0,0|2,0,0]=4 774 B8R1.4 O=C1CCCC(=O)O1 ZOCQ02609 [0,0,1,1,0,0|1,0,1]=4 775 B8R1.22 O=C1C=CCCCC1 HR146270 [0,0,1,1,0,0|2,0,0]=4 776 B8R1.22 O=C1CCCCCN1 HR129512 [0,0,1,1,0,0|2,0,0]=4 777 B8R1.22 O=C1CCCCCO1 HR107144 [0,0,1,1,0,0|1,0,0]=3 778 B8R1.22 O=C1CCCCCO1 HR120205 [0,0,1,1,0,0|1,0,0]=3 779 B8R1.34 O=C(O)CC1CCC1 HR133624 [0,0,1,1,0,0|1,0,0]=3 780 B8R1.34 O=C(O)CC1COC1 HR145748 [0,0,1,1,0,0|2,0,0]=4 781 B8R1.35 O=C(O)CCC1CC1 HR105458 [0,0,1,1,0,0|1,0,0]=3 782 B8R1.72 O=S1(=O)CCCCN1 HR32664 [0,0,1,1,0,0|1,0,1]=4 783 B8R1.5 CC1CCCCC1=O HR128184 [0,0,1,1,0,0|2,0,0]=4 784 B8R1.5 CC1NCCNC1=O HR149053 [0,0,1,1,0,0|1,0,0]=3 785 B8R1.5 CC1OCCNC1=O HR148881 [0,0,1,1,0,0|2,0,0]=4 786 B8R1.5 NC1CCCCC1O HR105750 [0,0,1,1,0,0|1,0,1]=4 787 B8R1.5 NC1CCCCC1O HR106708 [0,0,1,1,0,0|1,0,1]=4 788 B8R1.5 NC1CCCCC1O HR106746 [0,0,1,1,0,0|1,0,1]=4 789 B8R1.5 NC1CCCCC1O HR108115 [0,0,1,1,0,0|1,0,1]=4 790 B8R1.5 NC1CCCCC1O HR14514 [0,0,1,1,0,0|1,0,1]=4 791 B8R1.5 NC1CCCCC1O HR146109 [0,0,1,1,0,0|1,0,1]=4 792 B8R1.5 NC1CCCCC1O HR146110 [0,0,1,1,0,0|1,0,1]=4 793 B8R1.5 NC1CCCCC1O HR146111 [0,0,1,1,0,0|1,0,1]=4 794 B8R1.5 NC1CCCCC1O HR146112 [0,0,1,1,0,0|1,0,1]=4 795 B8R1.5 NC1CCCCC1O HR148126 [0,0,1,1,0,0|1,0,1]=4 796 B8R1.5 NC1CCCNC1=O HR103141 [0,0,1,1,0,0|1,0,0]=3 797 B8R1.5 NC1CCCNC1=O HR109690 [0,0,1,1,0,0|1,0,0]=3 798 B8R1.5 NC1CCCNC1=O HR143772 [0,0,1,1,0,0|1,0,0]=3 799 B8R1.5 NN1CCCCC1=O HR128047 [0,0,1,1,0,0|2,0,0]=4 800 B8R1.5 O=C1CCCCC1Br HR121776 [0,0,1,1,0,0|2,0,0]=4 801 B8R1.5 O=C1CCCCC1Cl HR133138 [0,0,1,1,0,0|2,0,0]=4 802 B8R1.5 O=C1CCCCC1F HR150360 [0,0,1,1,0,0|2,0,0]=4 803 B8R1.5 O=C1NCCCC1F HR149509 [0,0,1,1,0,0|2,0,0]=4 804 B8R1.5 O=C1NCCCC1O HR147038 [0,0,1,1,0,0|2,0,0]=4 805 B8R1.18 CC1NC(=O)OC1=O HR100336 [0,0,1,1,0,0|1,0,1]=4 806 B8R1.18 NC1CC(=O)OC1=O HR110338 [0,0,1,1,0,0|1,0,1]=4 807 B8R1.54 NC(C(=O)O)C1CC1 HR125656 [0,0,1,1,0,0|0,0,0]=2 808 B8R1.54 NC(C(=O)O)C1CC1 HR126714 [0,0,1,1,0,0|0,0,0]=2 809 B8R1.63 N#CC1(C(=O)O)CC1 HR122831 [0,0,1,1,0,0|2,0,0]=4 810 B8R2.34 C1=CC2CC1CN2 HR146010 [1,0,0,1,0,0|1,0,0]=3 811 B8R2.34 C1=CC2CCC1C2 HR140035 [1,0,0,1,0,0|2,0,0]=4 812 B8R2.34 C1CC2CC1CN2 HR105019 [1,0,0,1,0,0|1,0,1]=4 813 B8R2.34 C1CC2CC1CN2 HR120772 [1,0,0,1,0,0|1,0,1]=4 814 B8R2.34 C1CC2CCC1N2 HR102818 [1,0,0,1,0,0|1,0,1]=4 815 B8R2.34 C1NC2CNC1C2 HR122032 [1,0,0,1,0,0|1,0,1]=4 816 B8R2.34 C1OC2CNC1C2 HR117094 [1,0,0,1,0,0|0,0,1]=3 817 B8R2.34 C1OC2CNC1C2 HR117328 [1,0,0,1,0,0|0,0,1]=3 818 B8R2.34 C1OC2CNC1C2 HR120312 [1,0,0,1,0,0|0,0,1]=3 819 B10R2.62 O=C1CC2CCC1CC2 HR115155 [0,0,0,1,0,1|2,0,0]=4 820 B10R2.62 O=C1CN2CCC1CC2 HR128985 [0,0,0,1,0,1|2,0,0]=4 821 B10R2.62 O=C1CN2CCC1CC2 HR149224 [0,0,0,1,0,1|2,0,0]=4 822 B10R2.320 O=C1NC2CCCCC12 HR146370 [0,0,0,1,0,1|2,0,0]=4 823 B10R2.351 O=C(O)C1C2COCC21 HR148558 [0,0,0,1,0,1|1,0,0]=3 824 B10R2.355 O=C(O)C1NCC2CC21 HR111017 [0,0,0,1,0,1|0,0,0]=2 825 B10R2.357 NC(=O)C1CC2CC2N1 HR101806 [0,0,0,1,0,1|1,0,0]=3 826 B10R2.357 NC(=O)C1CC2CC2N1 HR108867 [0,0,0,1,0,1|1,0,0]=3 827 B10R2.357 NC(=O)C1CC2CC2N1 HR142125 [0,0,0,1,0,1|1,0,0]=3 828 B10R2.357 NC(=O)C1CC2CC2N1 HR142224 [0,0,0,1,0,1|1,0,0]=3 829 B10R2.71 O=C1CC2CCC(C1)N2 HR120774 [0,0,0,1,0,1|1,0,0]=3 830 B10R2.71 O=C1CC2CCC(C1)N2 HR124577 [0,0,0,1,0,1|1,0,0]=3 831 B10R2.71 O=C1CC2CCC(C1)O2 HR146321 [0,0,0,1,0,1|2,0,0]=4 832 B10R2.71 OC1CC2CCC(C1)N2 HR114148 [0,0,0,1,0,1|1,0,1]=4 833 B10R2.71 OC1CC2CCC(C1)N2 HR122163 [0,0,0,1,0,1|1,0,1]=4 834 B10R2.32 O=C1CCN2CCCN12 HR116214 [0,1,0,1,0,0|2,0,0]=4 835 B6R1.6 BrCC1CCC1 HR23272 [1,0,0,0,1,0|1,0,1]=4 836 B6R1.6 ICC1CCC1 HR122084 [1,0,0,0,1,0|1,0,1]=4 837 B6R1.6 N#CC1CCC1 HR112436 [1,0,0,0,1,0|1,0,1]=4 838 B6R1.6 NCC1CCC1 HR100695 [1,0,0,0,1,0|1,0,1]=4 839 B6R1.6 NCC1CCC1 HR102822 [1,0,0,0,1,0|1,0,1]=4 840 B6R1.6 NCC1CCN1 HR112034 [1,0,0,0,1,0|1,0,1]=4 841 B6R1.6 NNC1CCC1 HR103247 [1,0,0,0,1,0|2,0,0]=4 842 B6R1.6 NNC1CCC1 HR146851 [1,0,0,0,1,0|2,0,0]=4 843 B6R1.6 O=CC1CCC1 HR128795 [1,0,0,0,1,0|0,0,0]=2 844 B6R1.6 OCC1CCC1 HR133510 [1,0,0,0,1,0|0,0,1]=3 845 B6R1.6 OCC1CCN1 HR145899 [1,0,0,0,1,0|0,0,1]=3 846 B6R1.6 OCC1CNC1 HR118895 [1,0,0,0,1,0|1,0,1]=4 847 B6R1.6 OCC1COC1 HR110451 [1,0,0,0,1,0|1,0,1]=4 848 B6R1.11 CC(=O)C1CC1 HR134464 [0,0,0,0,2,0|1,0,0]=3 849 B6R1.11 CC(O)C1CC1 HR101733 [0,0,0,0,2,0|1,0,1]=4 850 B6R1.11 N=C(N)C1CC1 HR137003 [0,0,0,0,2,0|2,0,0]=4 851 B6R1.11 NC(=O)C1CC1 HR21401 [0,0,0,0,2,0|1,0,0]=3 852 B6R1.11 O=C(Cl)C1CC1 FISA07805 [0,0,0,0,2,0|1,0,0]=3 853 B6R1.11 O=C(O)C1CC1 HR133116 [0,0,0,0,2,0|0,0,0]=2 854 B6R1.11 O=S([O-])C1CC1 HR105027 [0,0,0,0,2,0|1,0,1]=4 855 B6R1.11 OB(O)C1CC1 HR4014 [0,0,0,0,2,0|1,0,1]=4 856 B8R1.2 BrCC1CNCCN1 HR113983 [1,0,0,0,0,1|1,0,1]=4 857 B8R1.2 C#CC1CCCCN1 HR117402 [1,0,0,0,0,1|1,0,1]=4 858 B8R1.2 C#CC1CCCNC1 HR116876 [1,0,0,0,0,1|1,0,1]=4 859 B8R1.2 C=CC1CCCCC1 HR131133 [1,0,0,0,0,1|2,0,0]=4 860 B8R1.2 C=CC1CNCCO1 HR146087 [1,0,0,0,0,1|2,0,0]=4 861 B8R1.2 C=CC1COCCN1 HR146088 [1,0,0,0,0,1|1,0,0]=3 862 B8R1.2 CCC1CCCCN1 HR101681 [1,0,0,0,0,1|1,0,1]=4 863 B8R1.2 CCC1CCCCN1 HR145962 [1,0,0,0,0,1|1,0,1]=4 864 B8R1.2 CCC1CCCCN1 HR145963 [1,0,0,0,0,1|1,0,1]=4 865 B8R1.2 CCC1CNCCN1 HR129402 [1,0,0,0,0,1|1,0,1]=4 866 B8R1.2 CCC1COCCN1 HR106331 [1,0,0,0,0,1|1,0,1]=4 867 B8R1.2 CCC1COCCN1 HR116773 [1,0,0,0,0,1|1,0,1]=4 868 B8R1.2 CCC1COCCN1 HR145882 [1,0,0,0,0,1|1,0,1]=4 869 B8R1.2 CCC1COCCN1 HR17024 [1,0,0,0,0,1|1,0,1]=4 870 B8R1.2 CCC1COCCN1 HR17027 [1,0,0,0,0,1|1,0,1]=4 871 B8R1.2 CNC1CCCNC1 HR134269 [1,0,0,0,0,1|2,0,0]=4 872 B8R1.2 FCC1CCCNC1 HR151273 [1,0,0,0,0,1|1,0,1]=4 873 B8R1.2 N#CC1CCCCN1 HR112500 [1,0,0,0,0,1|1,0,1]=4 874 B8R1.2 N#CC1CCCNC1 HR112815 [1,0,0,0,0,1|1,0,1]=4 875 B8R1.2 N#CC1CNCCN1 HR110615 [1,0,0,0,0,1|1,0,1]=4 876 B8R1.2 N#CC1CNCCN1 HR148286 [1,0,0,0,0,1|1,0,1]=4 877 B8R1.2 NCC1CCCCN1 HR129658 [1,0,0,0,0,1|1,0,1]=4 878 B8R1.2 NCC1CCCNC1 HR125716 [1,0,0,0,0,1|1,0,1]=4 879 B8R1.2 O=CC1=CCCCC1 HR124654 [1,0,0,0,0,1|1,0,1]=4 880 B8R1.2 O=CC1=CCCOC1 HR106218 [1,0,0,0,0,1|1,0,1]=4 881 B8R1.2 O=CC1CCCCC1 HR3082 [1,0,0,0,0,1|1,0,0]=3 882 B8R1.2 O=CC1CCCOC1 HR31996 [1,0,0,0,0,1|1,0,0]=3 883 B8R1.2 O=CC1CCNCC1 HR114883 [1,0,0,0,0,1|1,0,0]=3 884 B8R1.2 O=CC1CCOCC1 IBCQ00409 [1,0,0,0,0,1|1,0,0]=3 885 B8R1.2 O=CC1CNCCN1 HR112721 [1,0,0,0,0,1|0,0,0]=2 886 B8R1.2 O=CN1CCCCC1 HR135142 [1,0,0,0,0,1|2,0,0]=4 887 B8R1.2 O=CN1CCNCC1 HR106743 [1,0,0,0,0,1|2,0,0]=4 888 B8R1.2 O=CN1CCOCC1 HR124705 [1,0,0,0,0,1|2,0,0]=4 889 B8R1.2 OCC1CCCCC1 HR3098 [1,0,0,0,0,1|1,0,1]=4 890 B8R1.2 OCC1CCCCN1 HR129497 [1,0,0,0,0,1|0,0,1]=3 891 B8R1.2 OCC1CCCCN1 HR150905 [1,0,0,0,0,1|0,0,1]=3 892 B8R1.2 OCC1CCCCN1 HR150906 [1,0,0,0,0,1|0,0,1]=3 893 B8R1.2 OCC1CCCCO1 HR9734 [1,0,0,0,0,1|1,0,1]=4 894 B8R1.2 OCC1CCCNC1 HR118055 [1,0,0,0,0,1|0,0,1]=3 895 B8R1.2 OCC1CCCNC1 HR118365 [1,0,0,0,0,1|0,0,1]=3 896 B8R1.2 OCC1CCCNC1 HR125284 [1,0,0,0,0,1|0,0,1]=3 897 B8R1.2 OCC1CCCOC1 HR112012 [1,0,0,0,0,1|1,0,1]=4 898 B8R1.2 OCC1CCNCC1 HR130018 [1,0,0,0,0,1|1,0,1]=4 899 B8R1.2 OCC1CCOCC1 HR131711 [1,0,0,0,0,1|1,0,1]=4 900 B8R1.2 OCC1CCOCO1 HR137723 [1,0,0,0,0,1|1,0,1]=4 901 B8R1.2 OCC1CNCCN1 HR107434 [1,0,0,0,0,1|0,0,1]=3 902 B8R1.2 OCC1CNCCN1 HR113041 [1,0,0,0,0,1|0,0,1]=3 903 B8R1.2 OCC1CNCCN1 HR145898 [1,0,0,0,0,1|0,0,1]=3 904 B8R1.2 OCC1CNCCN1 HR145901 [1,0,0,0,0,1|0,0,1]=3 905 B8R1.2 OCC1CNCCO1 HR105077 [1,0,0,0,0,1|1,0,1]=4 906 B8R1.2 OCC1CNCCO1 HR115921 [1,0,0,0,0,1|1,0,1]=4 907 B8R1.2 OCC1CNCCO1 HR145981 [1,0,0,0,0,1|1,0,1]=4 908 B8R1.2 OCC1CNCCO1 HR148574 [1,0,0,0,0,1|1,0,1]=4 909 B8R1.2 OCC1COCCN1 HR121096 [1,0,0,0,0,1|0,0,1]=3 910 B8R1.2 OCC1COCCN1 HR121419 [1,0,0,0,0,1|0,0,1]=3 911 B8R1.2 OCC1COCCN1 HR145988 [1,0,0,0,0,1|0,0,1]=3 912 B8R1.2 OCC1COCCO1 HR104909 [1,0,0,0,0,1|1,0,1]=4 913 B10R1.18 CC(=O)CC1CCCCC1 HR100572 [0,0,0,0,0,2|2,0,0]=4 914 B10R1.18 CC(=O)OC1C=CCCC1 HR119334 [0,0,0,0,0,2|2,0,0]=4 915 B10R1.18 NC(=O)CC1CCNCC1 HR102489 [0,0,0,0,0,2|2,0,0]=4 916 B10R1.18 NC(=O)NC1CCCCC1 HR122881 [0,0,0,0,0,2|2,0,0]=4 917 B10R1.18 NC(=O)OC1CCCCC1 HR141434 [0,0,0,0,0,2|2,0,0]=4 918 B10R1.18 O=C(Cl)OC1CCCCC1 HR143452 [0,0,0,0,0,2|2,0,0]=4 919 B10R1.18 O=C(O)CC1=CCCCC1 HR136455 [0,0,0,0,0,2|1,0,1]=4 920 B10R1.18 O=C(O)CC1CCCCC1 HR127453 [0,0,0,0,0,2|1,0,0]=3 921 B10R1.18 O=C(O)CC1CCCCN1 HR145759 [0,0,0,0,0,2|0,0,0]=2 922 B10R1.18 O=C(O)CC1CCCCN1 HR145760 [0,0,0,0,0,2|0,0,0]=2 923 B10R1.18 O=C(O)CC1CCCCN1 HR145761 [0,0,0,0,0,2|0,0,0]=2 924 B10R1.18 O=C(O)CC1CCCCO1 HR106291 [0,0,0,0,0,2|1,0,0]=3 925 B10R1.18 O=C(O)CC1CCCNC1 HR113295 [0,0,0,0,0,2|0,0,0]=2 926 B10R1.18 O=C(O)CC1CCCNC1 HR117223 [0,0,0,0,0,2|0,0,0]=2 927 B10R1.18 O=C(O)CC1CCNCC1 HR119393 [0,0,0,0,0,2|1,0,0]=3 928 B10R1.18 O=C(O)CC1CCNCC1 HR133786 [0,0,0,0,0,2|1,0,0]=3 929 B10R1.18 O=C(O)CC1CCOCC1 HR103813 [0,0,0,0,0,2|1,0,0]=3 930 B10R1.18 O=C(O)CC1CNCCN1 HR101939 [0,0,0,0,0,2|0,0,0]=2 931 B10R1.18 O=C(O)CC1COCCN1 HR112078 [0,0,0,0,0,2|0,0,0]=2 932 B10R1.18 O=C(O)CC1COCCN1 HR145805 [0,0,0,0,0,2|0,0,0]=2 933 B10R1.18 O=C(O)CC1COCCN1 HR145806 [0,0,0,0,0,2|0,0,0]=2 934 B10R1.18 O=C(O)CC1COCCN1 HR148490 [0,0,0,0,0,2|0,0,0]=2 935 B10R1.18 O=C(O)CN1CCCCC1 HR105233 [0,0,0,0,0,2|2,0,0]=4 936 B10R1.18 O=C(O)CN1CCNCC1 HR144062 [0,0,0,0,0,2|2,0,0]=4 937 B10R1.18 O=C(O)CN1CCOCC1 HR106260 [0,0,0,0,0,2|2,0,0]=4 938 B10R1.18 O=C(O)CN1CCOCC1 HR118229 [0,0,0,0,0,2|2,0,0]=4 939 B10R1.18 O=C(O)NC1CCCCC1 HR130456 [0,0,0,0,0,2|1,0,0]=3 940 B10R1.348 CC(=O)N1CCCNCC1 HR115364 [0,0,0,0,0,2|2,0,0]=4 941 B10R1.348 O=C(Cl)C1CCCCCC1 HR146283 [0,0,0,0,0,2|2,0,0]=4 942 B10R1.348 O=C(O)C1CCCCCC1 HR129293 [0,0,0,0,0,2|1,0,0]=3 943 B10R1.348 O=C(O)C1CCCCCN1 HR121409 [0,0,0,0,0,2|0,0,0]=2 944 B10R1.66 CC(=O)OCC1CCCO1 HR131629 [0,0,0,0,0,2|2,0,0]=4 945 B10R1.66 O=C(Cl)CCC1CCCC1 HR137379 [0,0,0,0,0,2|2,0,0]=4 946 B10R1.66 O=C(O)CCC1CCCC1 HR132599 [0,0,0,0,0,2|1,0,0]=3 947 B10R1.66 O=C(O)CCC1CCCN1 HR145693 [0,0,0,0,0,2|0,0,0]=2 948 B10R1.66 O=C(O)CCC1CCCO1 HR118102 [0,0,0,0,0,2|1,0,0]=3 949 B10R1.66 O=C(O)CCN1CCCC1 HR102253 [0,0,0,0,0,2|2,0,0]=4