0 B8R0.16 COC(CC(C)=O)OC OR59432 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.16 COC(CN(C)C)OC OR10113 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.2 CC(=O)NC(C)CN OR321289 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.2 CCC(C)CC(=O)O OR5351 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.2 CCC(C)CC(C)C OR52416 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.2 CCC(C)CC(C)N OR2894 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.2 CCC(N)CC(=O)O OR16680 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.2 CC[C@@H](N)CC(=O)O OR40585 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.2 CNC(=O)CC(C)=O OR54480 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.2 COC(=O)CC(=O)Cl OR8845 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.2 COC(=O)CC(=O)O OR54514 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.2 COC(=O)CC(=O)[O-] OR25586 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.2 COC(=O)CC(C)=O OR54474 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.2 NCC(O)CC(=O)O OR1057 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.12 CNCC(OC)OC OR6502 [1,0,0,0,0,0|1,0,0]=2 15 B9R0.26 COC(=O)CC(OC)OC OR59480 [0,1,0,0,0,0|0,0,0]=1 16 B9R0.52 COC(CC(C)(C)O)OC OR60039 [0,1,0,0,0,0|0,0,2]=3 17 B9R0.63 COP(=O)(CC(C)=O)OC OR10776 [0,1,0,0,0,0|1,0,0]=2 18 B9R1.2 CCN1CCCC(=O)C1 OR11245 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.2 O=C1CCCC(CO)C1 OR40418 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.13 O=C(O)CC1CCCC1 OR6624 [0,0,0,1,0,0|3,0,0]=4 21 B7R0.15 COC(OC)C(C)=O OR40044 [0,0,0,0,1,0|0,0,0]=1 22 B7R0.15 COC(OC)N(C)C OR28611 [0,0,0,0,1,0|2,0,0]=3 23 B7R0.15 COC(OC)[C@@H](C)N OR70041 [0,0,0,0,1,0|1,0,1]=3 24 B7R0.15 COC(OC)[C@H](C)N OR70039 [0,0,0,0,1,0|1,0,1]=3 25 B6R0.2 CC(=O)CC(C)=O OR16430 [2,0,0,0,0,0|0,0,2]=4 26 B6R0.2 CC(=O)CC(C)C OR61047 [2,0,0,0,0,0|0,0,0]=2 27 B6R0.2 CC(C)CC(=O)O OR2260 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.2 CC(C)CC(N)=O OR22499 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.2 CC(O)CC(C)O OR10041 [2,0,0,0,0,0|0,0,2]=4 30 B6R0.2 CN(C)CC(=O)O OR45130 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.4 CC(=O)CCCCl OR10086 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.4 CCCCC(C)=O OR10020 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.4 CCCOC(C)=O OR5312 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.4 CNCCC(=O)O OR301194 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.4 CNCCC(N)=O OR17506 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.4 CO\C=C\C(C)=O OR52529 [2,0,0,0,0,0|0,0,2]=4 37 B6R0.9 C=CC(OC)OC OR52642 [2,0,0,0,0,0|0,0,1]=3 38 B6R0.9 COC(C=O)OC OR59985 [2,0,0,0,0,0|0,0,0]=2 39 B6R0.9 COC(CN)OC OR4745 [2,0,0,0,0,0|1,0,0]=3 40 B8R0.2 CCC(O)C(Cl)C(=O)O OR22130 [1,1,0,0,0,0|2,0,0]=4 41 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O OR14897 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O OR61331 [1,1,0,0,0,0|1,0,0]=3 43 B8R0.19 CCC(=O)CC(=O)OC OR5113 [1,1,0,0,0,0|0,0,2]=4 44 B8R0.19 COC(=O)CC(=O)CCl OR4924 [1,1,0,0,0,0|0,0,2]=4 45 B8R0.19 COC(=O)CC(=O)OC OR2832 [1,1,0,0,0,0|0,0,2]=4 46 B8R0.36 COC(C)(OC)C(C)=O OR3133 [0,1,0,0,1,0|0,0,0]=2 47 B10R0.79 CCOC(CN(C)C)OCC OR6498 [0,2,0,0,0,0|2,0,0]=4 48 B10R0.79 CCOC(C[N+](=O)[O-])OCC OR321286 [0,2,0,0,0,0|2,0,0]=4 49 B10R0.145 COC(CC(OC)OC)OC OR13192 [0,2,0,0,0,0|0,0,2]=4 50 B8R1.4 CC1CC(=O)CCO1 OR54543 [1,0,0,1,0,0|0,0,0]=2 51 B8R1.4 CN1CCCC(=O)C1 OR55488 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.4 CN1CCCC(=O)C1 OR55582 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.34 O=C(O)CC1CCC1 OR312055 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.62 CC1(CO)CC(=O)C1 OR317302 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.2 COC1CCCNC1 OR302384 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.2 NOC1CCCCO1 OR350311 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.8 BrCCC1OCCO1 OR52533 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.60 COC1(OC)COC1 OR312003 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.7 O=C(O)C1CCCO1 OR10057 [0,0,0,1,1,0|2,0,0]=4 60 B8R1.7 O=C(O)[C@@H]1CCCO1 OR40518 [0,0,0,1,1,0|2,0,0]=4 61 B10R1.66 O=[N+]([O-])CCC1OCCO1 OR13705 [0,0,0,1,0,1|2,0,0]=4 62 B10R1.10 CCCC1CCCC(=O)C1 OR200161 [0,1,0,1,0,0|2,0,0]=4 63 B10R2.71 O=C1CC2CCC(C1)C2 OR52275 [0,0,0,2,0,0|2,0,0]=4 64 B10R2.71 O=C1CC2CCC(C1)N2 OR4717 [0,0,0,2,0,0|2,0,0]=4 65 B10R2.71 O=C1CC2CCC(C1)N2 OR939255 [0,0,0,2,0,0|2,0,0]=4 66 B10R2.316 BrC1CC2(C1)OCCO2 OR317130 [0,0,0,2,0,0|1,0,1]=4 67 B6R0.3 CC=C(C)C(C)=O OR0641 [1,0,0,0,1,0|1,0,1]=4 68 B6R0.3 CC[C@H](C)C(=O)O OR315294 [1,0,0,0,1,0|2,0,0]=4 69 B6R0.3 CNC(C)C(=O)O OR930477 [1,0,0,0,1,0|2,0,0]=4 70 B6R0.3 CN[C@@H](C)C(=O)O OR61451 [1,0,0,0,1,0|2,0,0]=4 71 B6R0.3 CON(C)C(C)=O OR46610 [1,0,0,0,1,0|1,0,0]=3