0 B9R0.44 C=CCC(=O)CC(C)(C)C F30715 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.44 CC(C)(C)OC(=O)CCCl C15988 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.44 CN(CCO)CC(F)(F)F AT25451 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.5 CCCC(=O)CC(C)C T72726 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.21 CC(C)(C)NCCCN AT13994 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.21 CC(C)(C)NCCCN AT13995 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.21 CC(C)(C)NCCCO W10522 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.21 CC(C)(C)OCCC=O AT13970 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.21 CC(C)(C)OCCCO AT13983 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.24 C=C[C@@H](C)CC(C)(C)C T72472 [1,0,0,0,0,0|0,0,2]=3 10 B8R0.24 CC[C@H](C)CC(C)(C)C T71897 [1,0,0,0,0,0|0,0,0]=1 11 B8R0.24 C[C@@H](CN)OC(C)(C)C AT13985 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.24 C[C@@H](CO)OC(C)(C)C AT13984 [1,0,0,0,0,0|1,0,0]=2 13 B10R0.28 CC(C)(C)CC(=O)NCCN F21228 [0,1,0,0,0,0|2,0,1]=4 14 B10R0.31 CC(C)(C)C[C@H](N)CC(=O)O N14205 [0,1,0,0,0,0|1,0,1]=3 15 B10R0.31 C[C@H](O)CC(=O)OC(C)(C)C 23505 [0,1,0,0,0,0|2,0,1]=4 16 B10R0.31 C[C@H](O)CC(=O)OC(C)(C)C AT12506 [0,1,0,0,0,0|2,0,1]=4 17 B10R0.31 C[C@H](O)CC(=O)OC(C)(C)C AT12509 [0,1,0,0,0,0|2,0,1]=4 18 B10R0.37 CC(C)(C)OC(=O)[C@@H](N)CO F53421 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.65 CC(C)(C)C1CCCC1N F53776 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.329 CC1CC(Br)CC(C)(C)C1 AT10305 [0,0,0,1,0,0|1,0,0]=2 21 B10R1.329 CC1CC(N)CC(C)(C)C1 A12109 [0,0,0,1,0,0|1,0,0]=2 22 B10R1.329 CN1C[C@@H](O)CC(F)(F)C1 P20975 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.373 CC(C)(C)CC(=O)C1CC1 F30716 [0,0,0,1,0,0|2,0,1]=4 24 B8R0.14 CC(C)(C)C(=O)NCO 81302 [0,0,0,0,1,0|2,0,1]=4 25 B8R0.14 CC(C)(C)[C@@H](N)CCO F53862 [0,0,0,0,1,0|1,0,0]=2 26 B8R0.14 CC(C)(C)[C@@H](O)CON AT14525 [0,0,0,0,1,0|3,0,0]=4 27 B8R0.14 C[C@@H](CCO)C(F)(F)F AT22041 [0,0,0,0,1,0|3,0,0]=4 28 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [2,0,0,0,0,0|0,0,2]=4 29 B7R0.2 C[C@@H](CN)CN(C)C F12739 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.4 CC(C)CSCCN AT25570 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.4 CN(C)CCCCN V10255 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.7 CCC[C@H](N)CCO N15481 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.7 CCC[C@H](N)CCO N15482 [2,0,0,0,0,0|1,0,0]=3 34 B7R0.8 CC(C)(C)NCCN AT13989 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.8 CC(C)(C)OCCBr AT13987 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.8 CC(C)(C)OCCI AT13988 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.8 CC(C)(C)OCCS AT13759 [2,0,0,0,0,0|1,1,0]=4 38 B7R0.8 CC(C)(C)SCCBr AT13957 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.8 CC(C)(C)SCCI AT13958 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.8 CC(C)(C)SCCO AT13948 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.8 CC(C)(C)SCCS AT13955 [2,0,0,0,0,0|1,1,0]=4 42 B7R0.8 CCCNC(C)(C)C AT13992 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.8 CC\C=C/C(C)(C)C T71234 [2,0,0,0,0,0|0,0,2]=4 44 B7R0.8 COCCC(C)(C)N D75145 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.8 CONCC(C)(C)C AT24905 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.9 C=C(C)CC(C)(C)C F21333 [2,0,0,0,0,0|0,0,2]=4 47 B9R0.34 CCCC(C)CC(C)CC T70352 [1,1,0,0,0,0|1,0,0]=3 48 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52003 [1,1,0,0,0,0|1,0,1]=4 49 B9R0.38 C[Si](C)(C)OCCCCBr C15150 [1,1,0,0,0,0|1,1,0]=4 50 B9R0.52 CCN(CC)CC(C)(C)O AT13060 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O F53739 [0,1,0,0,1,0|1,0,1]=4 52 B11R0.359 CC(CC(C)(C)C)CC(C)(C)C A10885 [0,2,0,0,0,0|1,0,0]=3 53 B9R1.7 C[C@H]1CCN(CCO)C1 96739 [1,0,0,1,0,0|1,0,0]=3 54 B9R1.13 CC(C)N[C@H]1CCOC1 P12314 [1,0,0,1,0,0|1,0,0]=3 55 B9R1.13 CC(C)O[C@H]1CCNC1 F13097 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.13 CN(C)C[C@H]1CCNC1 33410 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.13 C[C@H](N)CC1CCCC1 N12947 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.22 CN1C[C@@H](O)C[C@@H]1CO AT22831 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.22 CN1C[C@@H](O)C[C@H]1CO AT22828 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.34 CC1CC(O)CC(C)N1 32765 [1,0,0,1,0,0|1,0,0]=3 61 B9R1.34 CC1CC(O)CC(C)O1 AT13096 [1,0,0,1,0,0|1,0,0]=3 62 B9R1.38 C[C@@H]1CC(=O)C(C)(C)C1 T72217 [1,0,0,1,0,0|0,0,2]=4 63 B9R1.66 CC1(C)CCC[C@H](O)C1 F20634 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.66 CC1(C)C[C@@H](N)CCO1 32721 [1,0,0,1,0,0|1,0,0]=3 65 B9R1.66 CC1(C)C[C@@H](N)CCS1 89937 [1,0,0,1,0,0|1,1,0]=4 66 B9R1.66 CC1(C)C[C@@H](O)CCN1 Y10086 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.66 C[C@H]1CCCC(C)(C)C1 T72270 [1,0,0,1,0,0|1,0,0]=3 68 B9R1.19 CC(C)(C)[C@H]1CCNC1 P16856 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.133 CC1(C)CC[C@H](CN)O1 AT14195 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.133 CC1(C)CN[C@@H](CO)C1 F12516 [1,0,0,1,0,0|1,0,0]=3 71 B9R1.133 CC1(C)C[C@H](CO)CN1 83588 [1,0,0,1,0,0|1,0,0]=3 72 B9R1.133 CC1(C)C[C@H](CO)CO1 54908 [1,0,0,1,0,0|1,0,0]=3 73 B9R1.148 CC1(C)CCCNCC1 AT20041 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.148 CC1(C)CNCCCN1 AT13212 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.148 CC1(C)CNCCCN1 AT20052 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.148 C[C@]1(O)CNCCOC1 D84909 [1,0,0,1,0,0|2,0,0]=4 77 B11R1.155 CC(C)(C)C1CC(N)CCO1 33395 [0,0,0,1,0,1|1,0,0]=3 78 B11R1.325 CC1CC(=O)CC(C)(C)C1O E71662 [0,1,0,1,0,0|0,0,2]=4 79 B11R1.10 CC1CC(C#N)CC(C)(C)C1 AT10302 [0,1,0,1,0,0|1,0,0]=3 80 B11R1.10 C[C@H]1C[C@H](CN)CC(C)(C)C1 W15277 [0,1,0,1,0,0|1,0,0]=3 81 B11R1.509 CC(C)(C)CN1CCNCC1 D76624 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.263 CC(C)(C)OC1CC(CO)C1 94079 [0,1,0,1,0,0|1,0,0]=3 83 B11R1.1362 CC1(C)CC(Br)CC(C)(C)O1 P14709 [0,1,0,1,0,0|2,0,0]=4 84 B11R1.1362 CC1(C)CC(N)CC(C)(C)C1 C15584 [0,1,0,1,0,0|1,0,0]=3 85 B11R1.1515 CC1(C)C[C@H](CN)C(C)(C)N1 89540 [0,1,0,1,0,0|2,0,0]=4 86 B11R2.1632 CC1(C)CC(=O)C2OC2C1 F12446 [0,0,0,2,0,0|1,0,1]=4 87 B7R0.5 CC(C)[C@@H](N)CCO F53378 [1,0,0,0,1,0|1,0,0]=3 88 B7R0.5 CC(C)[C@@H](N)CCO F53539 [1,0,0,0,1,0|1,0,0]=3 89 B7R0.5 CC(C)[C@@H](N)CCO F53816 [1,0,0,0,1,0|1,0,0]=3 90 B7R0.14 CC(C)(C)[C@@H](N)CF 97895 [1,0,0,0,1,0|2,0,0]=4 91 B7R0.14 CC(C)(C)[C@@H](N)CF 97896 [1,0,0,0,1,0|2,0,0]=4 92 B7R0.14 CC(C)(C)[C@@H](N)CO AT21573 [1,0,0,0,1,0|1,0,0]=3 93 B7R0.14 CC(C)(C)[C@@H](N)CO AT21575 [1,0,0,0,1,0|1,0,0]=3 94 B7R0.14 CC(C)(C)[C@@H](O)CN 70290 [1,0,0,0,1,0|2,0,0]=4 95 B7R0.14 CC[C@H](C)C(C)(C)C T72627 [1,0,0,0,1,0|0,0,0]=2 96 B7R0.14 C\C=C(/C)C(C)(C)C D92448 [1,0,0,0,1,0|0,0,2]=4