0 B8R0.5 CCCC(=O)NC(C)C D84298 [1,0,0,0,0,0|1,0,0]=2 1 B8R0.5 CCCC(=O)OC(C)C D88682 [1,0,0,0,0,0|1,0,0]=2 2 B8R0.5 COCC(=O)CC(C)=O F16578 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.5 C\C=C\C(=O)OC(C)C L10146 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.28 CC(C)CCC[C@H](C)N C10809 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.28 CC(C)CCC[C@H](C)N F20422 [1,0,0,0,0,0|1,0,1]=3 6 B8R0.28 CC(C)CCC[C@H](C)O D91384 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.28 CC(C)COCC(C)C D89882 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.28 CC(C)CSCC(C)C D91079 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.28 CC(C)SSSC(C)C D90271 [1,0,0,0,0,0|3,0,0]=4 10 B10R0.13 CC(C)NC(=O)[C@@H](N)C(C)C F21197 [0,1,0,0,0,0|1,0,0]=2 11 B10R0.44 CC[C@H](C)OC(=O)CC(C)=O D88332 [0,1,0,0,0,0|2,0,1]=4 12 B10R0.70 COC(=NC(C)C)NC(C)C D90303 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.59 CC(C)N1C[C@@H](N)CC1=O AT19109 [0,0,0,1,0,0|2,0,0]=3 14 B10R1.329 CC1CC(C)CC(C)(C)C1 D92511 [0,0,0,1,0,0|1,0,1]=3 15 B8R0.23 CC(C)CC(=O)C(=O)[O-] S10401 [0,0,0,0,1,0|2,0,1]=4 16 B8R0.23 CC(C)C[C@H](O)C(C)C D89961 [0,0,0,0,1,0|0,0,2]=3 17 B8R0.23 CC(C)NC(=O)C(C)C L10185 [0,0,0,0,1,0|1,0,0]=2 18 B8R0.23 CC(C)OC(=O)C(C)C D91082 [0,0,0,0,1,0|1,0,0]=2 19 B7R0.2 CC[C@H](C)CC(C)C D89783 [2,0,0,0,0,0|1,0,1]=4 20 B7R0.4 CC(C)CSCCO D91112 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.4 CCCCCC(C)C D91346 [2,0,0,0,0,0|0,0,1]=3 22 B7R0.4 CCCCC[C@H](C)Cl D89310 [2,0,0,0,0,0|1,0,1]=4 23 B7R0.4 CCCCC[C@H](C)N E70476 [2,0,0,0,0,0|1,0,1]=4 24 B7R0.4 CCCCC[C@H](C)O D97162 [2,0,0,0,0,0|1,0,1]=4 25 B7R0.7 CCCC(C)CCC D91347 [2,0,0,0,0,0|1,0,1]=4 26 B7R0.7 CCSC(=O)SCC T71137 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.7 O=C(CCO)CCO 20750 [2,0,0,0,0,0|2,0,0]=4 28 B9R0.4 CCCOC(=O)CC(C)=O D88333 [1,1,0,0,0,0|1,0,1]=4 29 B9R0.6 CCOC(=O)C(Br)C(C)Br D90090 [1,1,0,0,0,0|2,0,0]=4 30 B9R0.34 CCCC(=O)O[C@@H](C)CC D89025 [1,1,0,0,0,0|1,0,0]=3 31 B9R0.44 CC(C)(C)OC(=O)CCO F53482 [1,1,0,0,0,0|2,0,0]=4 32 B9R0.44 CCOC(=O)CC(C)(C)C 11857 [1,1,0,0,0,0|1,0,0]=3 33 B9R0.10 CC(=O)CC(=O)C(C)(C)C F12458 [0,1,0,0,1,0|1,0,1]=4 34 B9R0.57 CC(C)C(=O)NC(C)(C)C D86400 [0,1,0,0,1,0|1,0,0]=3 35 B11R0.149 CC(C)C[C@H](O)C(=O)OC(C)C D91250 [0,1,0,0,0,1|1,0,0]=3 36 B11R0.210 C#CC(O)(CC(C)C)CC(C)C F30189 [0,2,0,0,0,0|0,0,2]=4 37 B9R1.22 CCN1C[C@@H](N)CC1=O AT19107 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.34 CC1CC(=O)CC(C)O1 20473 [1,0,0,1,0,0|1,0,0]=3 39 B9R1.34 CC1CC(C)CC(C)C1 D92376 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.183 CCOC(=O)C1CC1F D86741 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.45 C[C@H]1CN1C(=O)N(C)C F14386 [0,0,0,1,1,0|2,0,0]=4 42 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)CC1=O 22864 [0,1,0,1,0,0|0,0,0]=2 43 B11R1.547 C[C@H]1CN1C(=O)OC(C)(C)C D74026 [0,1,0,1,0,0|2,0,0]=4 44 B11R1.1362 CC1(C)CC(=O)CC(C)(C)N1 A10298 [0,1,0,1,0,0|0,0,0]=2 45 B11R1.50 CC(C)N1C[C@@H](CO)CC1=O AT19131 [0,1,0,1,0,0|1,0,0]=3 46 B11R2.433 O=C1CN2CCC(CC2)N1 77850 [0,0,0,2,0,0|2,0,0]=4 47 B7R0.5 CCCC(=O)N(C)C C13351 [1,0,0,0,1,0|1,0,0]=3 48 B7R0.5 CCC[C@H](C)C(C)C T71099 [1,0,0,0,1,0|1,0,1]=4 49 B7R0.5 CCC[C@H](O)C(C)C D91474 [1,0,0,0,1,0|0,0,2]=4 50 B7R0.5 CCOC(=O)[C@H](C)Cl D89296 [1,0,0,0,1,0|2,0,0]=4 51 B7R0.5 CCOC(=O)[C@H](C)F AT11652 [1,0,0,0,1,0|2,0,0]=4 52 B7R0.5 CCOC(=O)[C@H](C)N D87947 [1,0,0,0,1,0|2,0,0]=4 53 B7R0.6 CC(Br)CCC(C)Br D90037 [1,0,0,0,1,0|2,0,0]=4 54 B7R0.6 CC(C)=CCC(C)C D89989 [1,0,0,0,1,0|0,0,1]=3 55 B7R0.6 CC(C)CCC(C)C D89815 [1,0,0,0,1,0|0,0,0]=2 56 B7R0.6 CC(C)CC[C@H](C)Br 31370 [1,0,0,0,1,0|1,0,0]=3 57 B7R0.6 CP(C)CCP(C)C T70618 [1,0,0,0,1,0|2,0,0]=4 58 B7R0.16 CC(C)=C(C)C(C)C D92447 [0,0,0,0,2,0|1,0,1]=4 59 B7R0.16 C[C@H](Br)C(=O)N(C)C FD10631 [0,0,0,0,2,0|2,0,0]=4 60 B9R0.48 C\C=C/C(=O)OCC(C)C D89387 [1,0,0,0,0,1|0,0,2]=4 61 B9R0.55 CC(C)CSSCC(C)C D89690 [1,0,0,0,0,1|1,0,0]=3 62 B9R0.55 CN(C)C\C=C\CN(C)C S11829 [1,0,0,0,0,1|2,0,0]=4 63 B11R0.6 CC(=O)CC(=O)OCCC(C)C D88329 [0,0,0,0,0,2|1,0,1]=4