0 B9R0.53 CC(C)C[C@H](N)CC(=O)O F12354 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.53 CC(C)OC(=O)OC(C)C C76030 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.53 CC(O)CN(O)CC(C)O F20133 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.5 CCC[C@H](C)CC(C)C F17729 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.28 CC(=O)NCCC(C)C S10520 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.28 CC(C)OCOC(C)C D93413 [1,0,0,0,0,0|2,0,0]=3 7 B10R0.70 CC(C)CN(CC(C)C)N=O D93202 [0,1,0,0,0,0|1,0,1]=3 8 B10R1.329 CC1CC(C)(C)OC(C)O1 D93509 [0,0,0,1,0,0|3,0,0]=4 9 B7R0.2 C=C[C@@H](O)CC(C)C A12558 [2,0,0,0,0,0|0,0,2]=4 10 B7R0.2 CN(C)C[C@H](O)CO D95190 [2,0,0,0,0,0|2,0,0]=4 11 B7R0.4 CC(C)CCCCBr C74820 [2,0,0,0,0,0|1,0,0]=3 12 B7R0.4 CCCNCC(C)C AC1640 [2,0,0,0,0,0|1,0,0]=3 13 B7R0.4 CN(C)CCCCCl W16936 [2,0,0,0,0,0|2,0,0]=4 14 B7R0.4 C[C@H](Cl)CCCCCl A12620 [2,0,0,0,0,0|2,0,0]=4 15 B7R0.7 CCC[C@H](Br)CCBr D94373 [2,0,0,0,0,0|2,0,0]=4 16 B7R0.7 CCC[C@H](N)CCO AT20461 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.7 CCC[C@H](N)CCO I11080 [2,0,0,0,0,0|2,0,0]=4 18 B7R0.7 CCC[C@H](N)CCO N12794 [2,0,0,0,0,0|2,0,0]=4 19 B9R0.23 COC(=O)[C@@H](O)CC(C)C C13521 [1,1,0,0,0,0|1,0,1]=4 20 B9R0.34 CCC[C@H](O)CC(=O)OC D93333 [1,1,0,0,0,0|1,0,1]=4 21 B9R0.44 CCC[C@H](C)CC(C)(C)C D92889 [1,1,0,0,0,0|1,0,0]=3 22 B9R0.1 CC(C)CCC[C@H](C)CO A11755 [1,1,0,0,0,0|0,0,0]=2 23 B9R0.56 CN(C)CCNC(C)(C)C A12295 [1,1,0,0,0,0|2,0,0]=4 24 B9R0.39 CC(C)N[C@@H](CO)C(C)C T71603 [0,1,0,0,1,0|1,0,0]=3 25 B9R0.57 CC(C)C(=O)CC(C)(C)O D93044 [0,1,0,0,1,0|0,0,2]=4 26 B11R0.1 CCOC(=O)C[C@@H](O)CC(C)C D96336 [0,2,0,0,0,0|1,0,1]=4 27 B11R0.35 CC(C)CN(CCO)CC(C)C A11174 [0,2,0,0,0,0|1,0,0]=3 28 B9R1.13 CN(C)C[C@H]1CCCN1 C78068 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.13 CN(C)C[C@H]1CCCN1 P10914 [1,0,0,1,0,0|2,0,0]=4 30 B9R1.13 CN(C)C[C@H]1CCCN1 P12523 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.13 CN(C)C[C@H]1CCCN1 P14326 [1,0,0,1,0,0|2,0,0]=4 32 B9R1.13 CN(C)C[C@H]1CCCO1 70867 [1,0,0,1,0,0|1,0,0]=3 33 B9R1.22 CO[C@H]1CN(C)C[C@@H]1O P20782 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.34 CC1CC(O)CC(C)N1 D78847 [1,0,0,1,0,0|1,0,0]=3 35 B9R1.34 O[C@H]1C[C@@H](O)C[C@@H](O)C1 T70973 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.66 CC1(C)CCC[C@H](N)C1 P17894 [1,0,0,1,0,0|1,0,0]=3 37 B9R1.66 CC1(C)C[C@@H](O)CCN1 Y10992 [1,0,0,1,0,0|1,0,0]=3 38 B9R1.66 CC1(C)C[C@@H](O)CCO1 86677 [1,0,0,1,0,0|1,0,0]=3 39 B9R1.35 CC(C)N1CC[C@H](N)C1 P11086 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.49 CN1CCC[C@H](N)CC1 37046 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.49 CN1CCC[C@H](O)CC1 63484 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,0,0,1,1,0|0,0,2]=4 43 B11R1.167 CC(C)C1CN(C)CCC1N D83914 [0,0,0,1,0,1|2,0,0]=4 44 B11R1.1362 CC1(C)CC(N)CC(C)(C)O1 85236 [0,1,0,1,0,0|1,0,0]=3 45 B11R1.1362 CC1(C)CC(O)CC(C)(C)O1 P12928 [0,1,0,1,0,0|0,0,0]=2 46 B11R2.845 CC(N)C1CC2CCC1C2 D94621 [0,0,0,2,0,0|2,0,0]=4 47 B7R0.5 CC(C)[C@@H](O)CCN 83602 [1,0,0,0,1,0|1,0,0]=3 48 B7R0.5 CCCC(Br)C(C)Br D81745 [1,0,0,0,1,0|2,0,0]=4 49 B7R0.6 C[C@H](O)CC[C@H](C)O F17009 [1,0,0,0,1,0|2,0,0]=4 50 B11R0.85 CC(C)COC(=O)OCC(C)C D81477 [0,0,0,0,0,2|0,0,2]=4