0 B8R0.1 C=CCOC(=O)CCC Q69608 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.1 CCC#CC(=O)OCC Q56870 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.1 CCCCN(C)CCO Q66068 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.1 CCCNC(=O)CCN P42190 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.1 CCCNC(=O)CNC P35278 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.1 CCCNC(=O)CNC P42832 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.1 CCCCOCCN P36925 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.1 COCCOCCN P38878 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.1 NCCCOCCO P34738 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.3 CCCNC(=O)CN P36648 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.3 CC\C=C\C(=O)OC Q70108 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.3 CNC(=O)CCCN P40550 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.3 CNCCC(=O)NC P37767 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.3 CNCCC(=O)OC P36826 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.7 CCCN(C)CCO Q66069 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.7 CCNC(=O)CC#N P41076 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.7 CCNC(=O)CCN P36830 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.7 CCNC(=O)CNC P35209 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.7 CCNC(=O)CNC P39556 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.7 CCOC(=O)CCI P36879 [1,0,0,0,0,0|1,0,0]=2 20 B7R0.7 CCOC(=O)NCO Q69358 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.7 CCOC(=O)\C=C\[O-] I-9388 [1,0,0,0,0,0|1,0,2]=4 22 B9R0.5 CCCCNC(=O)CC#N P38337 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.5 COCCNC(=O)CC#N P41073 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.18 CCCCC(N)CCCC M15282 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.18 O=C(NCCCl)NCCCl P43328 [0,1,0,0,0,0|3,0,0]=4 26 B9R0.34 CCOC(=O)C[C@@H](O)CCl P35219 [0,1,0,0,0,0|3,0,0]=4 27 B9R0.34 CCOC(=O)C[C@H](O)CCl P35666 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.2 C=CC1CCCC(=O)C1 P47289 [0,0,0,1,0,0|1,0,2]=4 29 B9R1.2 CCC1CC(=O)CCO1 10650 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.2 CCN1CCNC(=O)C1 L21411 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.2 COC1CCCC(=O)C1 P44206 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.2 NCC1CCCC(=O)N1 Q65073 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.2 NCC1CCNC(=O)C1 C-3610 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.2 NCC1CCNC(=O)C1 Q51820 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.2 O=C1CC(CO)CCN1 C-3400 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.2 O=C1CCCC(CCl)N1 Q59897 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.2 O=C1CCCC(CO)N1 10055 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.2 O=C1CCC[C@H](CO)N1 Q65248 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.2 O=C1CCOC(CO)C1 Q54642 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.8 CCC[C@@H]1CCCCN1 Q54719 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.8 NCCC1CCCCO1 P38225 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.8 OCCC1CCCCO1 P38380 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.8 OCC[C@@H]1CCCCO1 Q53045 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.12 CCCOC1CCNC1 P34911 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.12 CCCO[C@@H]1CCNC1 P35814 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.12 CCCO[C@H]1CCNC1 P35519 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.15 CCN1CCNCC1=O A-474 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.15 CNC1CCCCC1=O O32079 [0,0,0,1,0,0|2,0,0]=3 49 B9R1.15 COC1CCCCC1=O P44670 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.15 COC1COCCC1=O C-3417 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.15 COC1OCCCC1=O L19674 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.15 CO[C@@H]1COCCC1=O Q55743 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.15 CO[C@H]1COCCC1=O Q55744 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.15 N#CC1CCCCC1=O P44647 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.15 O=C1COCCC1CO Q64449 [0,0,0,1,0,0|3,0,0]=4 56 B9R1.15 O=CC1CCCCC1=O P49435 [0,0,0,1,0,0|2,0,1]=4 57 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 L22312 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.33 COCC1CCCC1=O O31995 [0,0,0,1,0,0|2,0,0]=3 59 B9R1.33 NCCN1CCCC1=O P39375 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.33 NCCN1CCOC1=O M22885 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.33 O=C1CCCN1CCBr M23139 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.33 O=C1OCCC1CCBr Q69615 [0,0,0,1,0,0|3,0,0]=4 63 B9R1.48 CC1CC(=O)NCCN1 G-6003 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.48 NC1CCCNC(=O)C1 S72677 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.48 O=C1CCCNC(=O)C1 M15285 [0,0,0,1,0,0|2,0,1]=4 66 B9R1.49 CN1CCNC(=O)CC1 O34314 [0,0,0,1,0,0|3,0,0]=4 67 B9R1.69 CC1CC(=O)CCC1O P44912 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.69 C[C@@H]1CC(=O)CC[C@H]1O P49131 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.69 C[C@@H]1CCC(=O)CN1C Q56726 [0,0,0,1,0,0|2,0,0]=3 70 B9R1.69 C[C@H]1CCC(=O)CN1C Q56727 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.73 CCCC(=O)C1CCC1 P45625 [0,0,0,1,0,0|1,0,0]=2 72 B9R1.73 CCCC(N)C1CCC1 P48950 [0,0,0,1,0,0|2,0,1]=4 73 B9R1.73 CCNC(=O)C1CNC1 P48513 [0,0,0,1,0,0|3,0,0]=4 74 B9R1.73 CCNC(=O)C1CNC1 P48516 [0,0,0,1,0,0|3,0,0]=4 75 B9R1.73 CCOC(=O)C1CCN1 P40788 [0,0,0,1,0,0|3,0,0]=4 76 B9R1.73 CCOC(=O)C1CNC1 C-2881 [0,0,0,1,0,0|3,0,0]=4 77 B9R1.73 CCOC(=O)[C@@H]1CCN1 P34796 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.73 N#CCC(=O)C1CCC1 C-3303 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.73 O=C(CCCl)N1CCC1 P42685 [0,0,0,1,0,0|2,0,0]=3 80 B9R1.75 CCOC(=O)CC1CC1 L14011 [0,0,0,1,0,0|2,0,0]=3 81 B9R1.75 N#CCC(=O)NC1CC1 P41075 [0,0,0,1,0,0|2,0,1]=4 82 B9R1.75 O=C(CCCl)NC1CC1 P37314 [0,0,0,1,0,0|2,0,0]=3 83 B9R1.100 NCCNC(=O)C1CC1 O28367 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.117 CC1(OCCN)CCC1 P48266 [0,0,0,1,0,0|2,0,1]=4 85 B9R1.117 CC1(OCCN)CCC1 P48287 [0,0,0,1,0,0|2,0,1]=4 86 B6R0.6 NCCOCCN P39125 [2,0,0,0,0,0|2,0,0]=4 87 B6R0.6 OCCOCCBr P37296 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.6 OCCOCCI P41754 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.1 CCC(=O)CC#N P38761 [2,0,0,0,0,0|1,0,1]=4 90 B6R0.1 CCNC(=O)CN P39222 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.1 CCNC(=O)CO O31312 [2,0,0,0,0,0|2,0,0]=4 92 B6R0.1 CCNC(=O)NC M15284 [2,0,0,0,0,0|2,0,0]=4 93 B6R0.1 CCOC(=N)CCl P38507 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.1 CNC(=O)CCCl P38167 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.1 CNC(=O)CCN P37692 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.1 CNCC(=O)NC P37691 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.1 CNCC(=O)NC P38046 [2,0,0,0,0,0|2,0,0]=4 98 B8R0.4 ClCCCOCCCCl M15578 [1,1,0,0,0,0|1,0,1]=4 99 B8R0.4 OCCCOCCCO P39459 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.3 CCCC(N)C(=O)OC P43113 [1,1,0,0,0,0|2,0,0]=4 101 B8R0.8 CC(C)C(=O)NCCN P37576 [1,1,0,0,0,0|2,0,0]=4 102 B8R0.9 CC(C)CNC(=O)CCl P38819 [1,1,0,0,0,0|2,0,0]=4 103 B8R0.5 CCCC(=O)CC(C)=O O29704 [1,1,0,0,0,0|0,0,1]=3 104 B8R0.5 CCOC(=O)CC(C)N P42993 [1,1,0,0,0,0|0,0,0]=2 105 B8R0.5 CCOC(=O)C[C@@H](C)O P39378 [1,1,0,0,0,0|0,0,0]=2 106 B8R0.5 CCOC(=O)C[C@H](C)N Q68957 [1,1,0,0,0,0|0,0,0]=2 107 B8R0.5 CNCC(=O)NC(C)C P37714 [1,1,0,0,0,0|2,0,0]=4 108 B8R0.5 CNCC(=O)NC(C)C P42287 [1,1,0,0,0,0|2,0,0]=4 109 B8R0.22 CCCC(CBr)CCC O29610 [1,1,0,0,0,0|1,0,1]=4 110 B10R0.1 COCCCOC(=O)CC#N P39734 [0,2,0,0,0,0|1,0,1]=4 111 B10R0.3 CCOC(=O)CCCC(C)=O K13405 [0,2,0,0,0,0|2,0,0]=4 112 B8R1.2 BrCC1CCCOC1 G-6343 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.2 BrC[C@@H]1CCCOC1 Q62734 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.2 BrC[C@H]1CCCOC1 Q62735 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.2 CCC1CNCCO1 B-1069 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.2 CCC1COCCN1 B-1066 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.2 CC[C@@H]1CCCCN1 Q54717 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.2 CC[C@@H]1CCCNC1 Q61422 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.2 CC[C@@H]1CNCCO1 B-1071 [1,0,0,1,0,0|1,0,1]=4 120 B8R1.2 CC[C@@H]1COCCN1 B-1064 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.2 CC[C@H]1CCCNC1 Q61421 [1,0,0,1,0,0|1,0,1]=4 122 B8R1.2 CC[C@H]1CNCCO1 B-1070 [1,0,0,1,0,0|1,0,1]=4 123 B8R1.2 CC[C@H]1COCCN1 B-1065 [1,0,0,1,0,0|1,0,1]=4 124 B8R1.2 CN[C@@H]1CCCOC1 Q55431 [1,0,0,1,0,0|1,0,1]=4 125 B8R1.2 CN[C@H]1CCCOC1 Q55432 [1,0,0,1,0,0|1,0,1]=4 126 B8R1.2 NCC1CCC=CO1 Q65014 [1,0,0,1,0,0|1,0,1]=4 127 B8R1.2 NCC1CCCOC1 L21850 [1,0,0,1,0,0|1,0,1]=4 128 B8R1.2 NC[C@@H]1CCCCO1 Q62567 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.2 NC[C@@H]1CCCOC1 L18118 [1,0,0,1,0,0|1,0,1]=4 130 B8R1.2 NC[C@@H]1CCCOC1 Q56432 [1,0,0,1,0,0|1,0,1]=4 131 B8R1.2 NC[C@H]1CCC=CO1 Q65015 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.2 NC[C@H]1CCCCO1 Q62568 [1,0,0,1,0,0|1,0,1]=4 133 B8R1.2 NC[C@H]1CCCOC1 L18117 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.2 NC[C@H]1CCCOC1 Q56431 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.2 OCC1CCCOC1 F-4498 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.2 OC[C@@H]1CCCCO1 F-4789 [1,0,0,1,0,0|1,0,1]=4 137 B8R1.2 OC[C@@H]1CCCOC1 P43927 [1,0,0,1,0,0|1,0,1]=4 138 B8R1.2 OC[C@H]1CCCCO1 P43928 [1,0,0,1,0,0|1,0,1]=4 139 B8R1.2 OC[C@H]1CCCOC1 P43926 [1,0,0,1,0,0|1,0,1]=4 140 B8R1.5 CC1CCNCC1C Q59916 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.5 C[C@@H]1COCC[C@@H]1N Q52400 [1,0,0,1,0,0|1,0,1]=4 142 B8R1.5 C[C@@H]1COCC[C@H]1N O33010 [1,0,0,1,0,0|1,0,1]=4 143 B8R1.5 C[C@@H]1COCC[C@H]1N Q56430 [1,0,0,1,0,0|1,0,1]=4 144 B8R1.5 C[C@H]1COCC[C@@H]1N G-7933 [1,0,0,1,0,0|1,0,1]=4 145 B8R1.5 C[C@H]1COCC[C@H]1N G-7268 [1,0,0,1,0,0|1,0,1]=4 146 B8R1.5 C[C@H]1COCC[C@H]1N Q52399 [1,0,0,1,0,0|1,0,1]=4 147 B8R1.10 BrCCOC1CCC1 P49161 [1,0,0,1,0,0|1,0,1]=4 148 B8R1.10 CCCOC1CNC1 O30745 [1,0,0,1,0,0|1,0,1]=4 149 B8R1.10 CCCOC1CNC1 P44923 [1,0,0,1,0,0|1,0,1]=4 150 B8R1.10 NCCOC1CCC1 L20867 [1,0,0,1,0,0|1,0,1]=4 151 B8R1.10 NCCOC1CCC1 P48638 [1,0,0,1,0,0|1,0,1]=4 152 B8R1.10 OCCOC1CCC1 P45345 [1,0,0,1,0,0|1,0,1]=4 153 B8R1.1 NCC1CNC(=O)O1 F-4726 [1,0,0,1,0,0|2,0,0]=4 154 B8R1.1 NCC1CNC(=O)O1 L13152 [1,0,0,1,0,0|2,0,0]=4 155 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [1,0,0,1,0,0|2,0,0]=4 156 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [1,0,0,1,0,0|2,0,0]=4 157 B8R1.1 NC[C@@H]1CNC(=O)O1 L13195 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.1 NC[C@H]1CNC(=O)O1 L22235 [1,0,0,1,0,0|2,0,0]=4 160 B8R1.1 O=C1CCC(CO)C1 Q62791 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.1 O=C1CCC(CO)N1 M23573 [1,0,0,1,0,0|2,0,0]=4 162 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.1 O=C1CC[C@@H](CBr)N1 P36413 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.1 O=C1CC[C@@H](CF)N1 Q59250 [1,0,0,1,0,0|2,0,0]=4 165 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [1,0,0,1,0,0|2,0,0]=4 166 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [1,0,0,1,0,0|1,0,0]=3 167 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.1 O=C1CC[C@H](CBr)N1 P34760 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.1 O=C1NCC(CO)O1 F-4693 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.1 O=C1NC[C@@H](CO)O1 L13350 [1,0,0,1,0,0|2,0,0]=4 172 B8R1.3 CC1C=CC(=O)CC1 K12331 [1,0,0,1,0,0|1,0,1]=4 173 B8R1.3 CC1CCC(=O)NC1 L13409 [1,0,0,1,0,0|1,0,0]=3 174 B8R1.3 CC1CNC(=O)CN1 P35228 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.3 C[C@@H]1CNC(=O)CN1 L14453 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.3 C[C@H]1CNC(=O)CN1 L13879 [1,0,0,1,0,0|2,0,0]=4 181 B8R1.3 NC1CCC(=O)CC1 P36686 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.3 NC1CCC(=O)NC1 C-3401 [1,0,0,1,0,0|2,0,0]=4 183 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.3 O=C1CCC(=O)OC1 K12424 [1,0,0,1,0,0|1,0,1]=4 186 B8R1.3 O=C1CCC(Br)CC1 P39565 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.3 O=C1CCC(F)CC1 L21631 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.3 O=C1CCC(F)CN1 Q54421 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.38 CCC(=O)C1CCC1 P45339 [1,0,0,1,0,0|1,0,0]=3 191 B8R1.38 CCC(=O)C1COC1 Q56142 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.38 CNC(=O)C1CCC1 P49094 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.38 COC(=O)C1CCC1 P45206 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.38 NCC(=O)C1CCC1 L19863 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.38 NCC(=O)N1CCC1 P42497 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.38 O=C(CBr)C1CCC1 P44370 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.38 O=C(CBr)N1CCC1 P44519 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.38 O=C(CCl)C1CCC1 P45495 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.38 O=C(CCl)N1CCC1 P34713 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.38 O=C(CO)C1CCC1 P45459 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.40 COC(=O)CC1CC1 G-7131 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.40 NCC(=O)NC1CC1 P36714 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.50 CC1C(=O)CCN1C Q52697 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.4 C=C1CCOC(C)C1 Q54980 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.4 CC1=CCCC(=O)C1 O32064 [1,0,0,1,0,0|0,0,2]=4 206 B8R1.4 CC1CC(=O)CCN1 D-2514 [1,0,0,1,0,0|1,0,0]=3 207 B8R1.4 CC1CC(=O)CCO1 A-836 [1,0,0,1,0,0|1,0,0]=3 208 B8R1.4 CC1CCNC(=O)C1 L13355 [1,0,0,1,0,0|1,0,0]=3 209 B8R1.4 CN1CCOC(=O)C1 Q54674 [1,0,0,1,0,0|1,0,0]=3 210 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [1,0,0,1,0,0|1,0,0]=3 211 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [1,0,0,1,0,0|1,0,0]=3 212 B8R1.4 C[C@@H]1CCC[C@@H](N)C1 P49440 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [1,0,0,1,0,0|0,0,2]=4 214 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [1,0,0,1,0,0|0,0,2]=4 215 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P45362 [1,0,0,1,0,0|1,0,1]=4 216 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P49441 [1,0,0,1,0,0|1,0,1]=4 217 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [1,0,0,1,0,0|0,0,2]=4 218 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [1,0,0,1,0,0|0,0,2]=4 219 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [1,0,0,1,0,0|1,0,0]=3 221 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [1,0,0,1,0,0|1,0,0]=3 222 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [1,0,0,1,0,0|1,0,0]=3 223 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [1,0,0,1,0,0|1,0,0]=3 224 B8R1.4 C[C@H]1CCC[C@@H](N)C1 P45360 [1,0,0,1,0,0|1,0,1]=4 225 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [1,0,0,1,0,0|0,0,2]=4 226 B8R1.4 C[C@H]1CCC[C@H](N)C1 P45361 [1,0,0,1,0,0|1,0,1]=4 227 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [1,0,0,1,0,0|0,0,2]=4 228 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.4 NC1CCCC(=O)C1 P48005 [1,0,0,1,0,0|1,0,0]=3 231 B8R1.4 NC1CCNC(=O)C1 C-2485 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.4 NC1COCC(=O)C1 P46448 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.4 NC1COCC(=O)C1 Q61511 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.4 O=C1CC(F)CCN1 Q54422 [1,0,0,1,0,0|2,0,0]=4 235 B8R1.4 O=C1CCCC(=O)C1 P44675 [1,0,0,1,0,0|1,0,1]=4 236 B8R1.4 O=C1CCCC(Br)C1 P45384 [1,0,0,1,0,0|1,0,0]=3 237 B8R1.4 O=C1CCCC(F)C1 P43987 [1,0,0,1,0,0|1,0,0]=3 238 B8R1.4 O=C1CCCC(O)C1 L18346 [1,0,0,1,0,0|1,0,0]=3 239 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [1,0,0,1,0,0|1,0,0]=3 240 B8R1.4 O=C1CCOC(=O)C1 H-8796 [1,0,0,1,0,0|1,0,1]=4 241 B8R1.4 O=C1COCC(F)C1 Q54617 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.4 O=C1COCC(O)C1 Q54616 [1,0,0,1,0,0|2,0,0]=4 243 B8R1.4 O=S1CCCC(Br)C1 Q57991 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.37 CCCC(=O)C1CC1 P45338 [1,0,0,1,0,0|0,0,0]=2 245 B10R1.61 CC(=O)C1CCCCC1=O P44674 [0,1,0,1,0,0|1,0,1]=4 246 B10R1.61 CN(C)C1CCCCC1=O Q59742 [0,1,0,1,0,0|2,0,0]=4 247 B10R1.10 CCCC1CC(=O)CCO1 Q57712 [0,1,0,1,0,0|2,0,0]=4 248 B10R1.10 CCCC1CC(O)CCO1 Q57709 [0,1,0,1,0,0|1,0,1]=4 249 B10R1.10 N#CCC1CCCC(=O)N1 Q59876 [0,1,0,1,0,0|1,0,1]=4 250 B10R1.11 CCOC(=O)C1CCNC1 P35998 [0,1,0,1,0,0|2,0,0]=4 251 B10R1.11 CCOC(=O)[C@@H]1CCNC1 P47011 [0,1,0,1,0,0|2,0,0]=4 252 B10R1.11 CCOC(=O)[C@H]1CCNC1 P47010 [0,1,0,1,0,0|2,0,0]=4 253 B10R1.11 NCCC(=O)N1CCCC1 P36713 [0,1,0,1,0,0|2,0,0]=4 254 B10R1.11 O=C(CCCl)N1CCCC1 P36937 [0,1,0,1,0,0|2,0,0]=4 255 B10R1.21 OCCCOC1CCCC1 Q59134 [0,1,0,1,0,0|1,0,1]=4 256 B10R1.135 CCOC(=O)C1CC1CO L14731 [0,1,0,1,0,0|2,0,0]=4 257 B10R1.137 CCOC(=O)C=C1CCC1 P39116 [0,1,0,1,0,0|2,0,0]=4 258 B10R1.137 CCOC(=O)CC1CCC1 O32497 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.137 CCOC(=O)CC1CNC1 P36470 [0,1,0,1,0,0|2,0,0]=4 260 B10R1.137 CCOC(=O)CC1COC1 P42298 [0,1,0,1,0,0|2,0,0]=4 261 B10R1.137 COCC(=O)NC1CNC1 P47051 [0,1,0,1,0,0|2,0,0]=4 262 B10R1.138 CCOC(=O)\C=C\C1CC1 P37267 [0,1,0,1,0,0|2,0,0]=4 263 B10R1.197 O=C1CCC(CO)CCN1 L19235 [0,1,0,1,0,0|2,0,0]=4 264 B10R1.260 CCOC1CC(=O)C1OC P48136 [0,1,0,1,0,0|2,0,0]=4 265 B10R1.260 CCO[C@@H]1CC(=O)[C@H]1OC P48968 [0,1,0,1,0,0|2,0,0]=4 266 B10R1.30 CCC1CC(C)CCC1=O Q59559 [0,1,0,1,0,0|1,0,0]=3 267 B10R1.178 CCCNC(=O)N1CCC1 P47418 [0,1,0,1,0,0|1,0,0]=3 268 B10R1.178 NCCNC(=O)C1CCC1 P44732 [0,1,0,1,0,0|2,0,0]=4 269 B10R1.178 NCCNC(=O)C1CCC1 P47044 [0,1,0,1,0,0|2,0,0]=4 270 B10R1.4 O=C1CCCCN1CCO L19233 [0,1,0,1,0,0|2,0,0]=4 271 B10R1.4 O=C1COCCN1CCCl L21017 [0,1,0,1,0,0|2,0,0]=4 272 B10R1.17 CCCOC1CCNCC1 P35257 [0,1,0,1,0,0|1,0,1]=4 273 B10R1.181 CCOC(=O)CC1(N)CC1 L14723 [0,1,0,1,0,0|2,0,0]=4 274 B10R1.2 CCN1CCCC(N)C1=O Q53469 [0,1,0,1,0,0|2,0,0]=4 275 B10R1.2 CN1C(=O)CCCC1CN H-8666 [0,1,0,1,0,0|2,0,0]=4 276 B10R1.2 CN1C(=O)CCCC1CN L13186 [0,1,0,1,0,0|2,0,0]=4 277 B10R1.2 CN1C(=O)CCCC1CO Q65296 [0,1,0,1,0,0|2,0,0]=4 278 B10R1.2 CN1CCCC(CN)C1=O Q52159 [0,1,0,1,0,0|2,0,0]=4 279 B10R1.140 CCOC(=O)C1CC(Br)C1 O33570 [0,1,0,1,0,0|2,0,0]=4 280 B10R1.140 CCOC(=O)C1CC(F)C1 P47878 [0,1,0,1,0,0|2,0,0]=4 281 B10R1.140 CCOC(=O)C1CC(I)C1 P34763 [0,1,0,1,0,0|2,0,0]=4 282 B10R1.140 CCOC(=O)C1CC(N)C1 P41473 [0,1,0,1,0,0|2,0,0]=4 283 B10R1.140 CCOC(=O)C1CC(N)C1 P45251 [0,1,0,1,0,0|2,0,0]=4 284 B10R1.140 CCOC(=O)C1CC(O)C1 A-432 [0,1,0,1,0,0|2,0,0]=4 285 B10R1.140 CCOC(=O)C1CC(O)C1 F-4148 [0,1,0,1,0,0|2,0,0]=4 286 B10R1.140 CCOC(=O)C1CC(O)C1 F-4149 [0,1,0,1,0,0|2,0,0]=4 287 B10R1.140 CCOC(=O)N1CC(N)C1 P47804 [0,1,0,1,0,0|2,0,0]=4 288 B10R1.140 CCOC(=O)N1CC(N)C1 P48729 [0,1,0,1,0,0|2,0,0]=4 289 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 P44311 [0,1,0,1,0,0|2,0,0]=4 290 B10R1.140 CCOC(=O)[C@H]1C[C@H](N)C1 P44717 [0,1,0,1,0,0|2,0,0]=4 291 B10R1.140 CCOC(=O)[C@H]1C[C@H](N)C1 P44719 [0,1,0,1,0,0|2,0,0]=4 292 B10R1.212 CCOC(=O)C(=O)C1CC1 K12409 [0,1,0,1,0,0|2,0,0]=4 293 B10R1.212 CCOC(=O)C(Br)C1CC1 F-4120 [0,1,0,1,0,0|2,0,0]=4 294 B10R1.401 CCOC(=O)C1(N)CCC1 P41209 [0,1,0,1,0,0|2,0,0]=4 295 B10R1.401 CCOC(=O)C1(S)CCC1 P45865 [0,1,0,1,0,0|2,0,0]=4 296 B10R1.63 CC1(C)COC(=O)CC1=O H-8799 [0,1,0,1,0,0|1,0,1]=4 297 B10R2.20 CN1C2CCC1C(=O)C2 P44050 [0,0,0,2,0,0|2,0,0]=4 298 B10R2.61 O=C1CC2CCCC1N2 P46614 [0,0,0,2,0,0|2,0,0]=4 299 B10R2.61 O=C1CC2CCCC1N2 P50750 [0,0,0,2,0,0|2,0,0]=4 300 B10R2.61 O=C1CN2CCCC1C2 P45592 [0,0,0,2,0,0|2,0,0]=4 301 B10R2.61 O=C1NC2CCCC1C2 K16106 [0,0,0,2,0,0|2,0,0]=4 302 B10R2.62 O=C1CC2CCC1CC2 P45854 [0,0,0,2,0,0|1,0,0]=3 303 B10R2.62 O=C1CC2CCC1CN2 O33230 [0,0,0,2,0,0|2,0,0]=4 304 B10R2.62 O=C1CN2CCC1CC2 P44564 [0,0,0,2,0,0|2,0,0]=4 305 B10R2.62 O=C1NC2CCC1CC2 G-7914 [0,0,0,2,0,0|1,0,0]=3 306 B10R2.71 O=C1CC2CCC(C1)C2 G-7015 [0,0,0,2,0,0|1,0,0]=3 307 B10R2.71 O=C1CC2CCC(C1)N2 C-3492 [0,0,0,2,0,0|2,0,0]=4 308 B10R2.71 O=C1CC2CCC(C1)O2 G-6882 [0,0,0,2,0,0|2,0,0]=4 309 B10R2.71 O=C1CC2CNC(C1)C2 P48499 [0,0,0,2,0,0|2,0,0]=4 310 B10R2.319 CN1C2CC(=O)CC1C2 P46883 [0,0,0,2,0,0|2,0,0]=4 311 B10R2.534 O=C1CCCC2(CC2)C1 L22282 [0,0,0,2,0,0|1,0,0]=3 312 B10R2.534 O=C1CCCC2(CC2)N1 Q54160 [0,0,0,2,0,0|1,0,0]=3 313 B10R2.534 O=C1CCNC2(CC2)C1 H-8331 [0,0,0,2,0,0|2,0,0]=4 314 B10R2.534 O=C1CCNC2(CC2)C1 Q52727 [0,0,0,2,0,0|2,0,0]=4 315 B10R2.534 O=C1CNCC2(CC2)N1 Q51994 [0,0,0,2,0,0|2,0,0]=4 316 B10R2.534 O=C1CNCC2(CC2)N1 Q51995 [0,0,0,2,0,0|2,0,0]=4 317 B10R2.534 O=C1COCC2(CC2)N1 Q54115 [0,0,0,2,0,0|2,0,0]=4 318 B10R2.2 O=C1CC2CCOC2O1 Q59460 [0,0,0,2,0,0|1,0,0]=3 319 B10R2.2 O=C1CC2CNCC2N1 Q55263 [0,0,0,2,0,0|2,0,0]=4 320 B10R2.2 O=C1CC2CSCC2C1 G-7777 [0,0,0,2,0,0|2,0,0]=4 321 B10R2.2 O=C1C[C@@H]2COC[C@@H]2C1 Q64138 [0,0,0,2,0,0|2,0,0]=4 322 B10R2.2 O=C1C[C@@H]2COC[C@H]2C1 Q64139 [0,0,0,2,0,0|2,0,0]=4 323 B10R2.2 O=C1C[C@H]2CCC[C@H]2N1 Q61894 [0,0,0,2,0,0|1,0,0]=3 324 B10R2.2 [C@@H]12CNC[C@@H]1CC(=O)C2 I-9320 [0,0,0,2,0,0|2,0,0]=4 325 B10R2.2 [C@@H]12CNC[C@@H]1CC(=O)C2 L14391 [0,0,0,2,0,0|2,0,0]=4 326 B10R2.2 [C@H]12CNC[C@H]1NC(=O)C2 Q52185 [0,0,0,2,0,0|2,0,0]=4 327 B10R2.32 O=C1CCN2CCCC12 Q59293 [0,0,0,2,0,0|2,0,0]=4 328 B10R2.32 [C@@H]12CCN[C@@H]1C(=O)NC2 G-7863 [0,0,0,2,0,0|2,0,0]=4 329 B10R2.32 [C@@H]12CNC(=O)[C@@H]1COC2 Q61922 [0,0,0,2,0,0|2,0,0]=4 330 B10R2.32 [C@@H]12CNC[C@@H]1CNC2=O P50760 [0,0,0,2,0,0|2,0,0]=4 331 B10R2.32 [C@@H]12CNC[C@@H]1CNC2=O Q55529 [0,0,0,2,0,0|2,0,0]=4 332 B10R2.320 O=C1N[C@@H]2CCCC[C@H]12 Q58792 [0,0,0,2,0,0|1,0,0]=3 333 B10R2.178 O=C1CCC2CCC1N2 L18137 [0,0,0,2,0,0|2,0,0]=4 334 B10R2.178 O=C1CCC2CCC1N2 P43913 [0,0,0,2,0,0|2,0,0]=4 335 B10R2.178 O=C1CCN2CCC1C2 P47280 [0,0,0,2,0,0|2,0,0]=4 336 B10R2.178 O=C1NCC2CCC1N2 L13321 [0,0,0,2,0,0|2,0,0]=4 337 B10R2.178 O=C1NCC2CCC1N2 P45933 [0,0,0,2,0,0|2,0,0]=4 338 B10R2.15 O=C1CCNCC12CC2 P47247 [0,0,0,2,0,0|2,0,0]=4 339 B10R2.15 O=C1CCOCC12CC2 Q55810 [0,0,0,2,0,0|2,0,0]=4 340 B10R2.15 O=C1CNCCC12CC2 L18144 [0,0,0,2,0,0|2,0,0]=4 341 B10R2.15 O=C1NCCCC12CC2 Q61092 [0,0,0,2,0,0|1,0,0]=3 342 B10R2.15 O=C1NCCNC12CC2 Q61091 [0,0,0,2,0,0|2,0,0]=4 343 B10R2.15 O=C1NCCOC12CC2 P50745 [0,0,0,2,0,0|2,0,0]=4 344 B10R2.41 O=C1C2CCC1CNC2 G-6337 [0,0,0,2,0,0|2,0,0]=4 345 B10R2.41 O=C1C2CCC1CNC2 P45912 [0,0,0,2,0,0|2,0,0]=4 346 B10R2.422 NC1CNC(=O)C12CC2 Q55753 [0,0,0,2,0,0|2,0,0]=4 347 B10R2.422 N[C@@H]1CNC(=O)C12CC2 Q55754 [0,0,0,2,0,0|2,0,0]=4 348 B10R2.422 N[C@H]1CNC(=O)C12CC2 Q55755 [0,0,0,2,0,0|2,0,0]=4 349 B10R2.190 O=C1NCCC12CCC2 Q54123 [0,0,0,2,0,0|2,0,0]=4 350 B10R2.177 CC12CC(=O)CCC1C2 Q57147 [0,0,0,2,0,0|1,0,0]=3 351 B10R2.179 CC12CCCC(=O)C1C2 Q52396 [0,0,0,2,0,0|1,0,0]=3 352 B10R2.659 CCOC(=O)C12CC1C2 Q54348 [0,0,0,2,0,0|2,0,0]=4 353 B10R2.485 O=C(CC1CC1)C2CC2 L14117 [0,0,0,2,0,0|1,0,0]=3