0 B8R0.5 CC(C)NC(=O)CC#N P37631 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.5 CCCC(=O)CC(C)=O O29704 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.5 CCOC(=O)CC(C)N P42993 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.5 CCOC(=O)C[C@@H](C)O P39378 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.5 CCOC(=O)C[C@H](C)N Q68957 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.5 CNCC(=O)NC(C)C P37714 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.5 CNCC(=O)NC(C)C P42287 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.2 C#CC(=O)OC(C)C S86242 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.2 C=CC(=O)CC(C)C L19279 [1,0,0,0,0,0|0,0,2]=3 9 B7R0.2 CC(C)NC(=O)CBr P36229 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.2 CC(C)NC(=O)CN P36647 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.2 CC(C)NC(=O)CN P37073 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.2 CCC(=O)CC(=O)O P43007 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.2 CCC(=O)CC(C)=O O31794 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.2 CC[C@H](N)CN(C)C Q66181 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.2 COC(=O)CC(C)N P41489 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.2 COC(=O)CN(C)C P36457 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.2 COC(=O)C[N+](=O)[O-] P45896 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.7 CCNC(=O)CC#N P41076 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.7 CCNC(=O)CCN P36830 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.7 CCNC(=O)CNC P35209 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.7 CCNC(=O)CNC P39556 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.7 CCOC(=O)CCI P36879 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.7 CCOC(=O)NCO Q69358 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.7 CCOC(=O)\C=C\[O-] I-9388 [1,0,0,0,0,0|1,0,2]=4 26 B9R0.6 CCNC(=O)C(N)C(C)C P42121 [0,1,0,0,0,0|1,0,0]=2 27 B9R0.6 CCOC(=O)C(Br)C(C)=O O32531 [0,1,0,0,0,0|1,0,1]=3 28 B9R0.34 CCOC(=O)C[C@@H](O)CCl P35219 [0,1,0,0,0,0|1,0,0]=2 29 B9R0.34 CCOC(=O)C[C@H](O)CCl P35666 [0,1,0,0,0,0|1,0,0]=2 30 B9R0.44 CC(C)(C)OC(=O)CCBr P37435 [0,1,0,0,0,0|3,0,0]=4 31 B9R0.44 CC(C)(C)OC(=O)CCN O34403 [0,1,0,0,0,0|3,0,0]=4 32 B9R0.44 CONC(=O)OC(C)(C)C P37240 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.22 CCN1CC(O)CC1=O Q59306 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.34 CC1CC(=O)CC(=O)N1 O29819 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.34 CC1CC(=O)CC(=O)O1 H-8797 [0,0,0,1,0,0|1,0,1]=3 36 B9R1.34 CC1CC(=O)CC(C)N1 O29876 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.34 CC1CC(=O)CC(C)O1 F-4696 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.34 CC1CC(Br)CC(C)O1 Q57698 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.34 CC1CC(N)CC(C)O1 Q54459 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.34 CN1CC(=O)OC(=O)C1 Q70106 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55059 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55809 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.34 C[C@@H]1C[C@H](O)C[C@H](C)C1 P45201 [0,0,0,1,0,0|1,0,2]=4 44 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 L13865 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 Q55528 [0,0,0,1,0,0|2,0,0]=3 46 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 L14381 [0,0,0,1,0,0|2,0,0]=3 47 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 Q55060 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.34 C[C@H]1CC(Br)C[C@@H](C)O1 Q57870 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.34 C[C@H]1CC(N)C[C@@H](C)O1 Q61447 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.38 CC1(C)NC(=O)CC1O Q64205 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.48 CC1CC(=O)NCCN1 G-6003 [0,0,0,1,0,0|2,0,0]=3 52 B9R1.48 NC1CCCNC(=O)C1 S72677 [0,0,0,1,0,0|2,0,0]=3 53 B9R1.48 O=C1CCCNC(=O)C1 M15285 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.66 C=C1CCOC(C)(C)C1 Q54981 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.66 CC1(C)CC(=O)CCN1 O34587 [0,0,0,1,0,0|2,0,0]=3 56 B9R1.66 CC1(C)CC(=O)CCO1 F-4698 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.66 CC1(C)CCCC(N)C1 P44411 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.66 CC1(C)CCCC(N)C1 Q52202 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.66 CC1(C)CCC[C@@H](N)C1 P44800 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.66 CC1(C)CCC[C@H](N)C1 P44801 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.66 CC1(C)COCC(=O)C1 Q61431 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.66 O=C1CC(F)(F)CCN1 Q63587 [0,0,0,1,0,0|3,0,0]=4 63 B9R1.75 CCOC(=O)CC1CC1 L14011 [0,0,0,1,0,0|0,0,0]=1 64 B9R1.75 O=C(CCCl)NC1CC1 P37314 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.183 CCOC(=O)C1N=C1C K16119 [0,0,0,1,0,0|1,0,1]=3 66 B7R0.5 CCOC(=O)C(=O)O P37044 [0,0,0,0,1,0|2,0,1]=4 67 B7R0.5 CN(C)C(=O)CCCl P40567 [0,0,0,0,1,0|3,0,0]=4 68 B7R0.5 CN(C)C(=O)CCN O33598 [0,0,0,0,1,0|3,0,0]=4 69 B7R0.5 CNCC(=O)N(C)C P40286 [0,0,0,0,1,0|3,0,0]=4 70 B6R0.1 CCC(=O)CC#N P38761 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.1 CCNC(=O)CN P39222 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.1 CCNC(=O)CO O31312 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.1 CCNC(=O)NC M15284 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.1 CCOC(=N)CCl P38507 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.1 CNC(=O)CCCl P38167 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.1 CNC(=O)CCN P37692 [2,0,0,0,0,0|2,0,0]=4 77 B6R0.1 CNCC(=O)NC P37691 [2,0,0,0,0,0|2,0,0]=4 78 B6R0.1 CNCC(=O)NC P38046 [2,0,0,0,0,0|2,0,0]=4 79 B6R0.2 CC(=O)NC(C)C P50955 [2,0,0,0,0,0|1,0,0]=3 80 B6R0.2 CC(C)C[C@@H](C)O Q70085 [2,0,0,0,0,0|0,0,2]=4 81 B6R0.2 CC(O)CC(=O)O P38963 [2,0,0,0,0,0|1,0,0]=3 82 B6R0.2 CN(C)CC(N)=O P36935 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.2 C[C@@H](N)CC(=O)O P38442 [2,0,0,0,0,0|1,0,0]=3 84 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [2,0,0,0,0,0|1,0,0]=3 85 B6R0.2 C[C@@H](O)CC(=O)O P36990 [2,0,0,0,0,0|1,0,0]=3 86 B6R0.2 C[C@H](N)CC(=O)O P38443 [2,0,0,0,0,0|1,0,0]=3 87 B6R0.2 C[C@H](O)CC(=O)O P37046 [2,0,0,0,0,0|1,0,0]=3 88 B6R0.4 CC(C)CCON L20789 [2,0,0,0,0,0|1,0,1]=4 89 B8R0.2 CNC(=O)C(N)C(C)C P40222 [1,1,0,0,0,0|1,0,0]=3 90 B8R0.2 CNC(=O)[C@@H](N)C(C)C Q66204 [1,1,0,0,0,0|1,0,0]=3 91 B8R0.23 CC(C)OC(=O)[C@@H](C)N P38334 [1,1,0,0,0,0|1,0,0]=3 92 B8R0.24 CC(C)(C)NC(=O)CCl P40932 [1,1,0,0,0,0|2,0,0]=4 93 B8R0.24 CC(C)(C)OC(=O)CN P36852 [1,1,0,0,0,0|2,0,0]=4 94 B8R0.24 CNC(=O)OC(C)(C)C P40845 [1,1,0,0,0,0|2,0,0]=4 95 B8R0.7 CN(C)CCOCCN P35778 [1,1,0,0,0,0|1,0,1]=4 96 B8R0.28 CC(=O)\C=C\CC(C)C O31440 [1,1,0,0,0,0|1,0,1]=4 97 B8R0.1 C=CCOC(=O)CCC Q69608 [1,1,0,0,0,0|0,0,1]=3 98 B8R0.1 CCC#CC(=O)OCC Q56870 [1,1,0,0,0,0|0,0,1]=3 99 B8R0.1 CCCNC(=O)CCN P42190 [1,1,0,0,0,0|2,0,0]=4 100 B8R0.1 CCCNC(=O)CNC P35278 [1,1,0,0,0,0|2,0,0]=4 101 B8R0.1 CCCNC(=O)CNC P42832 [1,1,0,0,0,0|2,0,0]=4 102 B8R0.1 CCOC(=O)CN=[N+]=[N-] P36907 [1,1,0,0,0,0|2,0,0]=4 103 B8R0.3 C=C(CO)C(=O)OCC F-4649 [1,1,0,0,0,0|1,0,1]=4 104 B8R0.3 CCOC(=O)C(C)CN P40244 [1,1,0,0,0,0|1,0,0]=3 105 B8R0.3 CCOC(=O)C(N)CC P37453 [1,1,0,0,0,0|0,0,0]=2 106 B8R0.3 CCOC(=O)C(O)CC P37661 [1,1,0,0,0,0|0,0,0]=2 107 B8R0.3 CCOC(=O)[C@@H](N)CC P35145 [1,1,0,0,0,0|0,0,0]=2 108 B8R0.3 CCOC(=O)[C@@H](N)CN P41065 [1,1,0,0,0,0|1,0,0]=3 109 B8R0.3 CCOC(=O)[C@H](N)CC P41834 [1,1,0,0,0,0|0,0,0]=2 110 B8R0.14 CCNC(=O)C(C)(C)N P42185 [0,1,0,0,1,0|1,0,0]=3 111 B8R0.14 CCNC(=O)C(C)(C)N P42279 [0,1,0,0,1,0|1,0,0]=3 112 B8R0.14 CCNC(=O)C(C)(C)O L20799 [0,1,0,0,1,0|1,0,0]=3 113 B8R0.14 CCOC(=O)C(C)(F)F P39038 [0,1,0,0,1,0|1,0,0]=3 114 B10R0.108 CCOC(=O)CCC(=O)CBr O30317 [0,1,0,0,0,1|1,0,1]=4 115 B10R0.28 CC(C)(C)OC(=O)CCCBr P42644 [0,2,0,0,0,0|2,0,0]=4 116 B10R0.28 CC(C)(C)OC(=O)CCCN P37790 [0,2,0,0,0,0|2,0,0]=4 117 B10R0.28 CC(C)(C)OC(=O)NCCI O28039 [0,2,0,0,0,0|2,0,0]=4 118 B10R0.28 CC(C)(C)OC(=O)NCCN A-450 [0,2,0,0,0,0|2,0,0]=4 119 B10R0.28 CC(C)(C)OC(=O)NCCS P36691 [0,2,0,0,0,0|2,0,0]=4 120 B10R0.28 CCNCC(=O)OC(C)(C)C P40571 [0,2,0,0,0,0|2,0,0]=4 121 B10R0.28 CCNNC(=O)OC(C)(C)C O30215 [0,2,0,0,0,0|2,0,0]=4 122 B10R0.28 CNCCC(=O)OC(C)(C)C O28940 [0,2,0,0,0,0|2,0,0]=4 123 B10R0.101 CCOC(=O)C(C=O)C(C)C Q69373 [0,2,0,0,0,0|0,0,0]=2 124 B10R0.37 CCN(N)C(=O)OC(C)(C)C Q69724 [0,2,0,0,0,0|2,0,0]=4 125 B10R0.37 CC[C@@H](N)C(=O)OC(C)(C)C P38886 [0,2,0,0,0,0|2,0,0]=4 126 B10R0.37 CC[C@H](N)C(=O)OC(C)(C)C P36268 [0,2,0,0,0,0|2,0,0]=4 127 B10R0.2 CCOC(=O)CC(=O)COC P36738 [0,2,0,0,0,0|1,0,1]=4 128 B8R1.4 C=C1CCOC(C)C1 Q54980 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.4 CC1=CCCC(=O)C1 O32064 [1,0,0,1,0,0|0,0,2]=4 130 B8R1.4 CC1CC(=O)CCN1 D-2514 [1,0,0,1,0,0|1,0,0]=3 131 B8R1.4 CC1CC(=O)CCO1 A-836 [1,0,0,1,0,0|1,0,0]=3 132 B8R1.4 CC1CCNC(=O)C1 L13355 [1,0,0,1,0,0|1,0,0]=3 133 B8R1.4 CN1CCOC(=O)C1 Q54674 [1,0,0,1,0,0|1,0,0]=3 134 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [1,0,0,1,0,0|1,0,0]=3 135 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [1,0,0,1,0,0|1,0,0]=3 136 B8R1.4 C[C@@H]1CCC[C@@H](N)C1 P49440 [1,0,0,1,0,0|1,0,1]=4 137 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [1,0,0,1,0,0|0,0,2]=4 138 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [1,0,0,1,0,0|0,0,2]=4 139 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P45362 [1,0,0,1,0,0|1,0,1]=4 140 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P49441 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [1,0,0,1,0,0|0,0,2]=4 142 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [1,0,0,1,0,0|0,0,2]=4 143 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [1,0,0,1,0,0|2,0,0]=4 144 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [1,0,0,1,0,0|1,0,0]=3 145 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [1,0,0,1,0,0|1,0,0]=3 146 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [1,0,0,1,0,0|1,0,0]=3 147 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [1,0,0,1,0,0|1,0,0]=3 148 B8R1.4 C[C@H]1CCC[C@@H](N)C1 P45360 [1,0,0,1,0,0|1,0,1]=4 149 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [1,0,0,1,0,0|0,0,2]=4 150 B8R1.4 C[C@H]1CCC[C@H](N)C1 P45361 [1,0,0,1,0,0|1,0,1]=4 151 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [1,0,0,1,0,0|0,0,2]=4 152 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [1,0,0,1,0,0|2,0,0]=4 154 B8R1.4 NC1CCCC(=O)C1 P48005 [1,0,0,1,0,0|1,0,0]=3 155 B8R1.4 NC1CCNC(=O)C1 C-2485 [1,0,0,1,0,0|2,0,0]=4 156 B8R1.4 NC1COCC(=O)C1 P46448 [1,0,0,1,0,0|2,0,0]=4 157 B8R1.4 NC1COCC(=O)C1 Q61511 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.4 O=C1CC(F)CCN1 Q54422 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.4 O=C1CCCC(=O)C1 P44675 [1,0,0,1,0,0|1,0,1]=4 160 B8R1.4 O=C1CCCC(Br)C1 P45384 [1,0,0,1,0,0|1,0,0]=3 161 B8R1.4 O=C1CCCC(F)C1 P43987 [1,0,0,1,0,0|1,0,0]=3 162 B8R1.4 O=C1CCCC(O)C1 L18346 [1,0,0,1,0,0|1,0,0]=3 163 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [1,0,0,1,0,0|1,0,0]=3 164 B8R1.4 O=C1CCOC(=O)C1 H-8796 [1,0,0,1,0,0|1,0,1]=4 165 B8R1.4 O=C1COCC(F)C1 Q54617 [1,0,0,1,0,0|2,0,0]=4 166 B8R1.4 O=C1COCC(O)C1 Q54616 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.4 O=S1CCCC(Br)C1 Q57991 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.18 CN1CC(N)CC1=O I-9643 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.18 CN1CC(O)CC1=O Q59318 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.40 COC(=O)C=C1CC1 H-8420 [1,0,0,1,0,0|0,0,2]=4 171 B8R1.40 COC(=O)CC1CC1 G-7131 [1,0,0,1,0,0|0,0,0]=2 172 B8R1.40 NCC(=O)NC1CC1 P36714 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.51 CC1(C)CC(=O)CN1 Q56039 [1,0,0,1,0,0|1,0,0]=3 174 B8R1.51 CC1(C)CC(=O)CN1 Q56040 [1,0,0,1,0,0|1,0,0]=3 175 B8R1.51 CC1(C)CC(=O)NO1 Q70064 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.51 CC1(C)CCC(=O)C1 L21292 [1,0,0,1,0,0|0,0,0]=2 177 B8R1.51 CC1(C)CCC(=O)N1 P43256 [1,0,0,1,0,0|1,0,0]=3 178 B8R1.51 CC1(C)CNC(=O)C1 P36730 [1,0,0,1,0,0|1,0,0]=3 179 B8R1.51 CC1(C)COC(=O)N1 C-3461 [1,0,0,1,0,0|1,0,0]=3 180 B8R1.51 CC1(C)COC(=S)N1 O31778 [1,0,0,1,0,0|1,1,0]=4 181 B8R1.51 CC1(O)CNC(=O)C1 Q59288 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.51 O=C1CCC(F)(F)C1 H-8755 [1,0,0,1,0,0|2,0,0]=4 183 B8R1.6 CCOC1CC(N)C1 L18168 [1,0,0,1,0,0|1,0,1]=4 184 B8R1.6 CCO[C@H]1C[C@@H](N)C1 L18169 [1,0,0,1,0,0|1,0,1]=4 185 B8R1.6 CCO[C@H]1C[C@@H](O)C1 P45783 [1,0,0,1,0,0|1,0,1]=4 186 B8R1.6 CCO[C@H]1C[C@H](N)C1 P43887 [1,0,0,1,0,0|1,0,1]=4 187 B8R1.6 CCO[C@H]1C[C@H](N)C1 P46453 [1,0,0,1,0,0|1,0,1]=4 188 B8R1.6 CCO[C@H]1C[C@H](O)C1 P45429 [1,0,0,1,0,0|1,0,1]=4 189 B8R1.7 CC(C)C1CCNC1 O33444 [1,0,0,1,0,0|1,0,1]=4 190 B8R1.7 CC(C)C1CCNC1 Q61705 [1,0,0,1,0,0|1,0,1]=4 191 B8R1.7 CC(C)[C@@H]1CCCN1 L22352 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.7 CC(C)[C@@H]1CCNC1 O33128 [1,0,0,1,0,0|1,0,1]=4 193 B8R1.7 CC(C)[C@@H]1CCNC1 Q61637 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.7 CC(C)[C@H]1CCCN1 Q55562 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.7 CC(C)[C@H]1CCNC1 L13956 [1,0,0,1,0,0|1,0,1]=4 196 B8R1.7 CC(C)[C@H]1CCNC1 Q61626 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.72 CC1(C)CCNCC1 C-3355 [1,0,0,1,0,0|1,0,1]=4 198 B8R1.72 CC1(N)CCOCC1 G-6788 [1,0,0,1,0,0|1,0,1]=4 199 B8R1.72 CC1(N)CCOCC1 Q51895 [1,0,0,1,0,0|1,0,1]=4 200 B8R1.72 CC1(O)CCOCC1 P36263 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.11 CNC1CCNC1=O L20781 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.11 O=C1NCCC1CO L13115 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.37 CCCC(=O)C1CC1 P45338 [1,0,0,1,0,0|1,0,0]=3 204 B8R1.5 CC1CCCNC1=O L13669 [0,0,0,1,1,0|1,0,0]=3 205 B8R1.5 CC1CCNCC1=O F-4040 [0,0,0,1,1,0|2,0,0]=4 206 B8R1.5 CC1CNCCC1=O O34502 [0,0,0,1,1,0|2,0,0]=4 207 B8R1.5 CC1COCCC1=O F-4697 [0,0,0,1,1,0|2,0,0]=4 208 B8R1.5 CC1NCCNC1=O O34501 [0,0,0,1,1,0|2,0,0]=4 209 B8R1.5 C[C@@H]1NCCNC1=O O34331 [0,0,0,1,1,0|2,0,0]=4 210 B8R1.5 C[C@H]1NCCNC1=O O34330 [0,0,0,1,1,0|2,0,0]=4 211 B8R1.5 NC1CCCCC1=O P45934 [0,0,0,1,1,0|2,0,0]=4 212 B8R1.5 N[C@@H]1CCCNC1=O O34375 [0,0,0,1,1,0|2,0,0]=4 213 B8R1.5 N[C@H]1CCCNC1=O O34462 [0,0,0,1,1,0|2,0,0]=4 214 B8R1.5 O=C1CCCCC1Br L21639 [0,0,0,1,1,0|2,0,0]=4 215 B8R1.5 O=C1CCCCC1F P45307 [0,0,0,1,1,0|2,0,0]=4 216 B8R1.5 O=C1NCCCC1Br L18696 [0,0,0,1,1,0|2,0,0]=4 217 B8R1.5 O=C1NCCC[C@@H]1O P36280 [0,0,0,1,1,0|2,0,0]=4 218 B8R1.5 O=C1NCCC[C@H]1O P39619 [0,0,0,1,1,0|2,0,0]=4 219 B8R1.5 O=C1OCCCC1Br L20669 [0,0,0,1,1,0|1,0,0]=3 220 B8R1.24 CC1(C)C(=O)CC1O P48188 [0,0,0,1,1,0|2,0,0]=4 221 B8R1.54 CC(Br)C(=O)C1CC1 L14735 [0,0,0,1,1,0|2,0,0]=4 222 B10R1.30 CCC1CC(C)CCC1=O Q59559 [0,0,0,1,0,1|1,0,0]=3 223 B10R1.138 CCOC(=O)\C=C\C1CC1 P37267 [0,0,0,1,0,1|0,0,1]=3 224 B10R1.140 CCOC(=O)C1CC(Br)C1 O33570 [0,0,0,1,0,1|1,0,0]=3 225 B10R1.140 CCOC(=O)C1CC(F)C1 P47878 [0,0,0,1,0,1|1,0,0]=3 226 B10R1.140 CCOC(=O)C1CC(I)C1 P34763 [0,0,0,1,0,1|1,0,0]=3 227 B10R1.140 CCOC(=O)C1CC(N)C1 P41473 [0,0,0,1,0,1|1,0,0]=3 228 B10R1.140 CCOC(=O)C1CC(N)C1 P45251 [0,0,0,1,0,1|1,0,0]=3 229 B10R1.140 CCOC(=O)C1CC(O)C1 A-432 [0,0,0,1,0,1|1,0,0]=3 230 B10R1.140 CCOC(=O)C1CC(O)C1 F-4148 [0,0,0,1,0,1|1,0,0]=3 231 B10R1.140 CCOC(=O)C1CC(O)C1 F-4149 [0,0,0,1,0,1|1,0,0]=3 232 B10R1.140 CCOC(=O)N1CC(N)C1 P47804 [0,0,0,1,0,1|1,0,0]=3 233 B10R1.140 CCOC(=O)N1CC(N)C1 P48729 [0,0,0,1,0,1|1,0,0]=3 234 B10R1.140 CCOC(=O)[C@@H]1CC(=O)O1 Q54790 [0,0,0,1,0,1|1,0,1]=4 235 B10R1.140 CCOC(=O)[C@H]1CC(=O)O1 Q54791 [0,0,0,1,0,1|1,0,1]=4 236 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 P44311 [0,0,0,1,0,1|1,0,0]=3 237 B10R1.140 CCOC(=O)[C@H]1C[C@H](N)C1 P44717 [0,0,0,1,0,1|1,0,0]=3 238 B10R1.140 CCOC(=O)[C@H]1C[C@H](N)C1 P44719 [0,0,0,1,0,1|1,0,0]=3 239 B10R1.18 CC(C)C[C@@H]1COCCN1 B-1251 [0,1,0,1,0,0|1,0,1]=4 240 B10R1.18 CC(C)C[C@H]1COCCN1 B-1250 [0,1,0,1,0,0|1,0,1]=4 241 B10R1.61 CN(C)C1CCCCC1=O Q59742 [0,1,0,1,0,0|2,0,0]=4 242 B10R1.139 CCOC(=O)C1OCC1=O Q54749 [0,1,0,1,0,0|1,0,1]=4 243 B10R1.212 CCOC(=O)C(=O)C1CC1 K12409 [0,1,0,1,0,0|0,0,1]=3 244 B10R1.212 CCOC(=O)C(Br)C1CC1 F-4120 [0,1,0,1,0,0|0,0,0]=2 245 B10R1.227 CC(C)CC1(C=O)CCC1 P43830 [0,1,0,1,0,0|1,0,1]=4 246 B10R1.194 CC(C)N1CC[C@H](N)C1=O Q62093 [0,1,0,1,0,0|2,0,0]=4 247 B10R1.135 CCOC(=O)C1CC1C#N L22365 [0,1,0,1,0,0|0,0,1]=3 248 B10R1.135 CCOC(=O)C1CC1CO L14731 [0,1,0,1,0,0|0,0,0]=2 249 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N L14845 [0,1,0,1,0,0|0,0,1]=3 250 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1C#N L22329 [0,1,0,1,0,0|0,0,1]=3 251 B10R1.137 CCOC(=O)C=C1CCC1 P39116 [0,1,0,1,0,0|0,0,2]=4 252 B10R1.137 CCOC(=O)C=C1CNC1 P46248 [0,1,0,1,0,0|0,0,2]=4 253 B10R1.137 CCOC(=O)C=C1COC1 C-2936 [0,1,0,1,0,0|0,0,2]=4 254 B10R1.137 CCOC(=O)CC1CCC1 O32497 [0,1,0,1,0,0|0,0,0]=2 255 B10R1.137 CCOC(=O)CC1CNC1 P36470 [0,1,0,1,0,0|0,0,0]=2 256 B10R1.137 CCOC(=O)CC1COC1 P42298 [0,1,0,1,0,0|0,0,0]=2 257 B10R1.149 COC(=O)C1CCOC1=O F-4241 [0,1,0,1,0,0|1,0,1]=4 258 B10R1.181 CCOC(=O)CC1(N)CC1 L14723 [0,1,0,1,0,0|0,0,0]=2 259 B10R1.329 CC1(C)CC(=O)CC(=O)O1 H-8798 [0,1,0,1,0,0|1,0,1]=4 260 B10R1.329 CC1(C)CC(=O)NC(=O)C1 I-9217 [0,1,0,1,0,0|1,0,1]=4 261 B10R1.329 CC1CC(=O)CC(C)(C)C1 P44666 [0,1,0,1,0,0|1,0,0]=3 262 B10R1.373 CC(C)(C)OC(=O)C1CC1 P35556 [0,1,0,1,0,0|2,0,0]=4 263 B10R2.61 O=C1CC2CCCC1N2 P46614 [0,0,0,2,0,0|2,0,0]=4 264 B10R2.61 O=C1CC2CCCC1N2 P50750 [0,0,0,2,0,0|2,0,0]=4 265 B10R2.61 O=C1CN2CCCC1C2 P45592 [0,0,0,2,0,0|2,0,0]=4 266 B10R2.61 O=C1NC2CCCC1C2 K16106 [0,0,0,2,0,0|2,0,0]=4 267 B10R2.71 O=C1CC2CCC(C1)C2 G-7015 [0,0,0,2,0,0|1,0,0]=3 268 B10R2.71 O=C1CC2CCC(C1)N2 C-3492 [0,0,0,2,0,0|2,0,0]=4 269 B10R2.71 O=C1CC2CCC(C1)O2 G-6882 [0,0,0,2,0,0|2,0,0]=4 270 B10R2.71 O=C1CC2CNC(C1)C2 P48499 [0,0,0,2,0,0|2,0,0]=4 271 B10R2.177 CC12CC(=O)CCC1C2 Q57147 [0,0,0,2,0,0|1,0,0]=3 272 B10R2.179 CC12CCCC(=O)C1C2 Q52396 [0,0,0,2,0,0|1,0,0]=3 273 B10R2.534 O=C1CCCC2(CC2)C1 L22282 [0,0,0,2,0,0|1,0,0]=3 274 B10R2.534 O=C1CCCC2(CC2)N1 Q54160 [0,0,0,2,0,0|2,0,0]=4 275 B10R2.534 O=C1CCNC2(CC2)C1 H-8331 [0,0,0,2,0,0|2,0,0]=4 276 B10R2.534 O=C1CCNC2(CC2)C1 Q52727 [0,0,0,2,0,0|2,0,0]=4 277 B10R2.485 O=C(CC1CC1)C2CC2 L14117 [0,0,0,2,0,0|1,0,0]=3 278 B10R2.659 CCOC(=O)C12CC1C2 Q54348 [0,0,0,2,0,0|0,0,0]=2 279 B6R0.3 CN(C)C(=O)CN P36418 [1,0,0,0,1,0|2,0,0]=4 280 B6R0.3 CNC(=O)C(C)N P38407 [1,0,0,0,1,0|2,0,0]=4 281 B6R0.3 CNC(=O)[C@@H](C)N P37080 [1,0,0,0,1,0|2,0,0]=4 282 B6R0.3 CNC(=O)[C@H](C)N P37082 [1,0,0,0,1,0|2,0,0]=4 283 B10R0.3 CCOC(=O)CCCC(C)=O K13405 [0,0,0,0,0,2|1,0,1]=4