0 B9R0.44 CCC[C@H](C)CC(C)(C)C D92889 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.44 COCN(C)C[Si](C)(C)C D96099 [0,0,0,0,0,0|3,1,0]=4 2 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.5 CCC[C@H](C)CC(C)C F17729 [1,0,0,0,0,0|1,0,0]=2 4 B8R0.24 CC[C@H](C)OC(C)(C)C A10768 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.33 CN1CC(F)(F)C[C@@H]1CO P13611 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.95 CC1(C)OC[C@H](CCO)O1 61345 [0,0,0,1,0,0|2,0,0]=3 7 B10R1.112 CC(C)(C)OC1CC(=O)C1 W15905 [0,0,0,1,0,0|1,0,2]=4 8 B10R1.329 CC1CC(C)(C)OC(C)O1 D93509 [0,0,0,1,0,0|3,0,0]=4 9 B7R0.2 CC[C@H](C)CC(C)=O A11862 [2,0,0,0,0,0|1,0,1]=4 10 B7R0.2 CN(C)C[C@H](O)CO D95190 [2,0,0,0,0,0|2,0,0]=4 11 B7R0.2 COC(C)CC(C)O 78061 [2,0,0,0,0,0|2,0,0]=4 12 B7R0.4 CC(C)CCCCBr C74820 [2,0,0,0,0,0|1,0,0]=3 13 B7R0.4 CCCNCC(C)C AC1640 [2,0,0,0,0,0|2,0,0]=4 14 B7R0.4 CN(C)CCCCCl W16936 [2,0,0,0,0,0|2,0,0]=4 15 B7R0.4 C[C@H](Cl)CCCCCl A12620 [2,0,0,0,0,0|2,0,0]=4 16 B7R0.7 CCC[C@H](Br)CCBr D94373 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.7 CCC[C@H](N)CCO AT20461 [2,0,0,0,0,0|1,0,0]=3 18 B7R0.7 CCC[C@H](N)CCO I11080 [2,0,0,0,0,0|1,0,0]=3 19 B7R0.7 CCC[C@H](N)CCO N12794 [2,0,0,0,0,0|1,0,0]=3 20 B7R0.7 CN(CCO)CCO A10780 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.7 COC[C@@H](N)CCO AT12992 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.8 CC(C)(O)CCCN 31824 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.8 CC(C)(O)CCCO AB7595 [2,0,0,0,0,0|1,0,0]=3 24 B7R0.9 CC(C)(C)CB(O)O C10943 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.9 CC(C)OC(C)(C)C A10887 [2,0,0,0,0,0|1,0,0]=3 26 B9R0.23 CC(O)CN(C)C(C)CO D93578 [1,1,0,0,0,0|2,0,0]=4 27 B9R0.53 CC(C)C[C@H](N)CC(=O)O F12354 [1,1,0,0,0,0|1,0,1]=4 28 B9R0.3 CC(C)(C)C(=O)NCCO W16100 [1,1,0,0,0,0|1,0,1]=4 29 B9R0.3 CC(C)(C)C(=O)SCCO A12087 [1,1,0,0,0,0|1,0,1]=4 30 B9R0.3 CCCCC(=O)C(C)(C)C D92946 [1,1,0,0,0,0|1,0,1]=4 31 B9R0.21 CC(C)(C)NC[C@H](O)CO 71183 [1,1,0,0,0,0|1,0,0]=3 32 B9R0.30 COC(C)(C)CC(C)(C)C D93019 [1,1,0,0,0,0|1,0,0]=3 33 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51152 [1,1,0,0,0,0|1,0,1]=4 34 B11R0.337 CC(C)(C)OC[C@@H](N)CC(=O)O C73738 [0,1,0,0,0,1|1,0,1]=4 35 B11R0.308 C[C@H](OC(C)(C)C)[C@H](N)C(=O)O C10882 [0,2,0,0,0,0|1,0,1]=4 36 B11R0.308 C[C@H](OC(C)(C)C)[C@H](N)C(=O)O C71639 [0,2,0,0,0,0|1,0,1]=4 37 B9R1.7 CN1CC[C@H](CCN)C1 37308 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.7 CN1CC[C@H](CCO)C1 37198 [1,0,0,1,0,0|1,0,0]=3 39 B9R1.13 CN(C)C[C@H]1CCNC1 P17783 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.13 CN(C)C[C@H]1CCNC1 P17784 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.22 CN1C[C@@H](F)C[C@H]1CO D97026 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.22 CN1C[C@@H](O)C[C@@H]1CO P11483 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.34 CC1CC(O)CC(C)N1 D78847 [1,0,0,1,0,0|1,0,0]=3 44 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 45 B9R1.53 CC(C)O[C@H]1C[C@@H](N)C1 P17893 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.53 CC(C)O[C@H]1C[C@H](N)C1 P17885 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.66 CC1(C)CCC[C@H](N)C1 P17894 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.66 CC1(C)C[C@@H](O)CCN1 Y10992 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.66 CC1(C)C[C@@H](O)CCO1 86677 [1,0,0,1,0,0|1,0,0]=3 50 B9R1.19 CC(C)(C)[C@H]1CCNC1 98396 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.19 CC(C)(O)[C@@H]1CCCN1 39110 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.19 CC(C)(O)[C@@H]1CCCN1 W10126 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.115 CC(C)(C)NC[C@H]1CO1 AB7588 [1,0,0,1,0,0|1,0,0]=3 54 B9R1.133 CC1(C)CC[C@H](CO)O1 72662 [1,0,0,1,0,0|1,0,0]=3 55 B9R1.133 CC1(C)CC[C@H](CO)O1 93336 [1,0,0,1,0,0|1,0,0]=3 56 B9R1.133 CC1(C)CN[C@@H](CO)C1 50816 [1,0,0,1,0,0|1,0,0]=3 57 B9R1.133 CC1(C)CN[C@@H](CO)C1 F12515 [1,0,0,1,0,0|1,0,0]=3 58 B9R1.133 CC1(C)C[C@H](CN)CO1 P18822 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.133 OC[C@H]1CCC(F)(F)C1 87611 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.148 CC1(C)CCCNCC1 W15420 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.200 CC1(CO)CC(F)(F)C1 38905 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.40 CC1(C)COCCC1=O P12769 [0,0,0,1,1,0|1,0,1]=4 63 B9R1.40 CC1(C)COCC[C@@H]1N P14562 [0,0,0,1,1,0|1,0,0]=3 64 B9R1.40 CC1(C)COCC[C@@H]1N P19386 [0,0,0,1,1,0|1,0,0]=3 65 B9R1.40 CN1CCNCC1(C)C A51168 [0,0,0,1,1,0|2,0,0]=4 66 B9R1.40 CN1CCNCC1(C)C S11179 [0,0,0,1,1,0|2,0,0]=4 67 B9R1.51 CC(C)(C)C1CC(=O)C1 P17616 [0,0,0,1,1,0|0,0,2]=4 68 B9R1.51 CC(C)(C)N1CC(N)C1 37983 [0,0,0,1,1,0|2,0,0]=4 69 B9R1.51 CC(C)(O)[C@H]1C[C@H](N)C1 P17823 [0,0,0,1,1,0|2,0,0]=4 70 B11R1.940 CC1(C)O[C@@H](CO)[C@H](CO)O1 O10001 [0,1,0,1,0,0|2,0,0]=4 71 B11R1.213 CC1(C)OC[C@H](CCCO)O1 D87742 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.1362 CC1(C)CC(N)CC(C)(C)O1 85236 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.1362 CC1(C)CC(O)CC(C)(C)O1 P12928 [0,1,0,1,0,0|1,0,0]=3 74 B7R0.5 CC(C)[C@@H](O)CCN 83602 [1,0,0,0,1,0|2,0,0]=4 75 B7R0.14 CC(C)(C)C(=O)CO F50563 [1,0,0,0,1,0|1,0,1]=4 76 B7R0.14 CC(C)(C)[C@@H](N)CO 39285 [1,0,0,0,1,0|1,0,0]=3 77 B11R0.180 C[C@H](CCO)CCCC(C)(C)O D92866 [0,0,0,0,0,2|1,0,0]=3