0 B8R0.16 CCN(CC)CC(=O)O SBB010260 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.2 CCC(C)CC(=O)O SBB008180 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.2 CCC(C)NC(N)=O SBB008605 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.2 CCC(O)CN(C)C SBB061151 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.2 COC(=O)CC(C)=O SBB060889 [1,0,0,0,0,0|0,0,2]=3 5 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [1,0,0,0,0,0|3,0,0]=4 6 B9R0.14 CCCC(CC)OC(C)=O SBB060029 [0,1,0,0,0,0|3,0,0]=4 7 B9R0.52 COC(CC(F)(F)F)OC SBB087264 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.63 COP(=O)(CC(C)=O)OC SBB058296 [0,1,0,0,0,0|1,0,0]=2 9 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.13 CC(=O)OC1CCCC1 SBB060737 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.13 O=C(Cl)CC1CCCC1 SBB116687 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.13 O=C(O)CC1CCCC1 SBB080711 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.13 O=C(O)CC1CCCO1 SBB002788 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.13 O=C(O)C[C@@H]1CCCN1 SBB066746 [0,0,0,1,0,0|3,0,0]=4 17 B7R0.15 CCC(CC)C(=O)O SBB061341 [0,0,0,0,1,0|3,0,0]=4 18 B7R0.15 CCC(OC)C(N)=O SBB116762 [0,0,0,0,1,0|2,0,0]=3 19 B7R0.15 COC(OC)C(C)=O SBB060142 [0,0,0,0,1,0|0,0,0]=1 20 B7R0.15 COC(OC)N(C)C SBB056425 [0,0,0,0,1,0|2,0,0]=3 21 B9R0.43 COC(CC[N+](=O)[O-])OC SBB013692 [0,0,0,0,0,1|2,0,0]=3 22 B6R0.1 CCC(O)COC SBB072708 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.1 CCCC(O)CC SBB061363 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.1 CNCC(C)OC SBB049894 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.2 CC(=O)C=C(C)C SBB040870 [2,0,0,0,0,0|0,0,2]=4 26 B6R0.2 CC(=O)CC(C)=O SBB009914 [2,0,0,0,0,0|0,0,2]=4 27 B6R0.2 CC(=O)CC(C)C SBB060384 [2,0,0,0,0,0|0,0,0]=2 28 B6R0.2 CC(C)CC(=O)Cl SBB040623 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.2 CC(C)CC(C)Br SBB007950 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.2 CC(C)CC(C)O SBB061337 [2,0,0,0,0,0|0,0,2]=4 31 B6R0.2 CC(C)CC(N)=O SBB028167 [2,0,0,0,0,0|1,0,0]=3 32 B6R0.2 CC(O)CC(=O)O SBB065815 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.2 CC(O)CN(C)C SBB060002 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.2 CN(C)CC(=O)O SBB065779 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.4 C=CCCC(C)=O SBB009089 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.4 CCCCC(=O)O SBB053585 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.4 CCCCC(C)=O SBB061262 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.4 CCCCC(N)=O SBB028169 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.4 CCCOC(C)=O SBB060305 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.4 CNCCC(N)=O SBB080375 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.9 CCC(C=O)CC SBB059875 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.9 CCC(CN)OC SBB302370 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.9 COC(OC)OC SBB060299 [2,0,0,0,0,0|1,0,0]=3 45 B8R0.2 CCC(C)C(Br)C(=O)O SBB069132 [1,1,0,0,0,0|2,0,0]=4 46 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)O SBB037854 [1,1,0,0,0,0|2,0,0]=4 47 B8R0.2 [NH3+][C@H](C(=O)[O-])[C@H](C)OC SBB069865 [1,1,0,0,0,0|1,0,0]=3 48 B8R0.5 CCCC(C)CC(=O)O SBB061321 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [1,1,0,0,0,0|0,0,2]=4 50 B8R0.19 CCC(=O)OC(C)CC SBB061103 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.19 COC(=O)CC(=O)CCl SBB061676 [1,1,0,0,0,0|0,0,2]=4 52 B8R0.23 CC(=O)CC(C)C(=O)O SBB053608 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.34 CCC(C)(C)NC(C)=O SBB056853 [1,1,0,0,0,0|2,0,0]=4 54 B8R0.34 CCC(C)(C)OC(C)=O SBB060028 [1,1,0,0,0,0|2,0,0]=4 55 B8R0.11 COC(CCC#N)OC SBB069468 [1,1,0,0,0,0|0,0,2]=4 56 B8R0.18 CNC(C(C)=O)C(C)C SBB002847 [0,1,0,0,1,0|2,0,0]=4 57 B8R0.36 COC(C)(OC)C(C)=O SBB056465 [0,1,0,0,1,0|0,0,0]=2 58 B10R0.79 CCOC(C[N+](=O)[O-])OCC SBB013665 [0,2,0,0,0,0|2,0,0]=4 59 B10R0.145 COC(CC(OC)OC)OC SBB040826 [0,2,0,0,0,0|0,0,2]=4 60 B8R1.34 O=C(O)CC1CCC1 SBB050298 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.2 COC1C=CCCC1 SBB060461 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.8 BrCCC1OCCO1 SBB070738 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.8 CCCC1OCCO1 SBB060981 [1,0,0,1,0,0|0,0,1]=3 64 B8R1.8 CCCC1OCCS1 SBB056724 [1,0,0,1,0,0|0,1,1]=4 65 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,0,0,1,1,0|2,0,0]=4 66 B10R1.66 CC(=O)CCC1CCCO1 SBB017110 [0,0,0,1,0,1|1,0,0]=3 67 B10R1.66 O=C(O)CCC1CCCO1 SBB014220 [0,0,0,1,0,1|2,0,0]=4 68 B10R1.18 O=C(O)CC1CCCCO1 SBB002787 [0,1,0,1,0,0|2,0,0]=4 69 B10R1.18 O=C(O)CC1CCCOC1 SBB027192 [0,1,0,1,0,0|2,0,0]=4 70 B10R1.18 O=C(O)CC1CNCCO1 SBB050892 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.27 COC(=O)CC1CCCO1 SBB014349 [0,1,0,1,0,0|1,0,0]=3 72 B10R1.491 COC1(OC)CC(CO)C1 SBB054866 [0,1,0,1,0,0|0,0,2]=4 73 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [1,0,0,0,1,0|2,0,0]=4 74 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [1,0,0,0,1,0|2,0,0]=4 75 B8R0.9 COC(C)OCC(C)C SBB059866 [1,0,0,0,0,1|1,0,1]=4