0 B7R0.4 CC(C)CCN=C=S 7168-1-13 [0,0,0,0,0,0|1,1,1]=3 1 B6R0.4 C=CCC[C@@H](C)O 2302-1-R1 [1,0,0,0,0,0|2,0,0]=3 2 B6R0.4 CC(C)CN=C=S 7168-1-X1 [1,0,0,0,0,0|1,1,1]=4 3 B6R0.4 CC(C)OCCO 2107-1-0H [1,0,0,0,0,0|1,0,2]=4 4 B6R0.4 CN(C)CCCBr 3132-9-03 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.4 CN(C)CCCCl 3132-5-X0 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 CN(C)CCCO 4156-1-40 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.6 C=CCCCCBr 1300-9-X5 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.6 C=CCCCCO 2301-1-06 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.6 CCCCCC=O 2115-1-X2 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.6 CCCCCCCl 1100-5-29 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.6 CCCCCCF 1100-3-61 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.6 CCCCN=C=S 7168-1-X0 [1,0,0,0,0,0|1,1,1]=4 13 B6R0.6 COCCOCCl 2108-5-X0 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.21 C[Si](C)(C)CCOCCl 6180-5-00 [0,1,0,0,0,0|1,1,1]=4 15 B8R1.1 CC1CCC(C=O)O1 2H15-1-25 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.4 CC1CC(=O)CCO1 2H17-1-89 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.4 CC1CC(O)CCO1 2H10-1-83 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.4 CC1CCOC(C)O1 2H10-1-1D [0,0,0,1,0,0|2,0,1]=4 19 B8R1.4 CN1CCNC(=O)C1 4H48-1-YY [0,0,0,1,0,0|2,0,0]=3 20 B8R1.4 O=C1CCCC(=O)C1 2218-1-X3 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.4 O=C1CCNC(=O)C1 4H48-1-67 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.19 CC1(C)CCC=[N+]1[O-] 4H45-1-19 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.19 CC1(C)CONC1=O 4H56-1-417 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.72 CC1(C)CCNCC1 3H31-1-26 [0,0,0,1,0,0|2,0,1]=4 25 B5R0.1 C=CCC(C)O 2302-1-00 [2,0,0,0,0,0|1,0,1]=4 26 B5R0.1 CC(C)CCI 1100-H-X4 [2,0,0,0,0,0|1,0,0]=3 27 B5R0.1 CC(C)CCN 3130-1-X4 [2,0,0,0,0,0|1,0,0]=3 28 B5R0.1 CC(C)CCO 2101-1-53 [2,0,0,0,0,0|0,0,0]=2 29 B5R0.1 CC(C)CNN 3139-5-X0 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.1 CC(N)CCO 4156-1-4D [2,0,0,0,0,0|1,0,0]=3 31 B5R0.1 CCCC(C)C 1100-1-04 [2,0,0,0,0,0|0,0,1]=3 32 B5R0.1 CCCC(C)O 2102-1-52 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.1 CN(C)CCN 3132-1-X2 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.1 C[C@@H](N)CCO 4156-1-RB [2,0,0,0,0,0|1,0,0]=3 35 B5R0.1 C[C@@H](O)CCO 2101-1-X0 [2,0,0,0,0,0|1,0,0]=3 36 B5R0.2 C#CCCCC 1500-1-X2 [2,0,0,0,0,0|1,0,1]=4 37 B5R0.2 C=CCCCBr 1300-9-13 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.2 C=CCCCC 1300-1-48 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.2 CCCCC=O 2115-1-00 [2,0,0,0,0,0|0,0,0]=2 40 B5R0.2 CCCCCC 1100-1-18 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.2 CCCCCF 1100-3-65 [2,0,0,0,0,0|1,0,1]=4 42 B5R0.2 CCCCCN 3130-1-X6 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.2 COCCCBr 2107-9-02 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.2 COCCOC 2108-1-00 [2,0,0,0,0,0|1,0,1]=4 45 B7R0.6 CC(=O)CCC(C)=O 2118-1-25 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.6 CC(=O)OCC(F)F 2123-3-09 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.6 CC(=O)\C=C\C(C)C 2317-1-04 [1,1,0,0,0,0|0,0,2]=4 48 B7R0.6 CC(C)CCC(=O)Cl 2116-5-0A [1,1,0,0,0,0|0,0,0]=2 49 B7R0.6 CC(C)COC(=O)Cl 2123-5-1N [1,1,0,0,0,0|0,0,0]=2 50 B7R0.6 CC(C)OCC(=O)O 2121-1-43 [1,1,0,0,0,0|1,0,0]=3 51 B7R0.6 CC(C)\C=C\C(=O)O 2321-1-13 [1,1,0,0,0,0|0,0,2]=4 52 B7R0.6 CN(C)CCC(=O)O 4158-5-13 [1,1,0,0,0,0|1,0,0]=3 53 B7R0.6 O=C(Cl)OCC(F)F 2123-7-00 [1,1,0,0,0,0|2,0,0]=4 54 B7R0.8 O=COCC(F)(F)F 2123-3-73 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.1 C=CCCCCCBr 1300-9-X1 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.1 C=CCCCCCC 1300-1-08 [1,1,0,0,0,0|2,0,0]=4 57 B7R0.7 C=COC(=O)CCC 2324-1-10 [1,1,0,0,0,0|1,0,1]=4 58 B9R0.1 COC(=O)\C=C\CC(C)C 2323-1-X4 [0,2,0,0,0,0|1,0,1]=4 59 B9R0.55 CN(C)CCCCC(=O)O 4133-5-02 [0,2,0,0,0,0|2,0,0]=4 60 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [1,0,0,1,0,0|0,0,2]=4 61 B7R1.2 O=C1CCC(=O)C1 P911-A-79 [1,0,0,1,0,0|1,0,1]=4 62 B7R1.2 O=C1COC(=O)C1 2H25-1-29 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.2 O=C1OCC(F)O1 2H28-3-04 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.2 O=C1OCC(F)O1 2H28-3-04H [1,0,0,1,0,0|2,0,0]=4 66 B7R1.3 BrC1CCOCC1 2H10-9-19 [1,0,0,1,0,0|1,0,1]=4 67 B7R1.3 CC1CCCCC1 1200-1-19 [1,0,0,1,0,0|1,0,1]=4 68 B7R1.3 CC1CCNCC1 3H31-1-Q3 [1,0,0,1,0,0|1,0,1]=4 69 B7R1.3 CN1CCOCC1 4H44-1-03 [1,0,0,1,0,0|1,0,1]=4 70 B7R1.3 IC1CCOCC1 2H10-H-X0 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.3 NC1CCOCC1 G311-A-59 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.3 NC1CCOCC1 P911-A-50 [1,0,0,1,0,0|1,0,1]=4 73 B7R1.3 OC1CCOCC1 2H10-1-Y4 [1,0,0,1,0,0|1,0,1]=4 74 B7R1.3 [NH3+]C1CCOCC1 4H30-1-Y9 [1,0,0,1,0,0|1,0,1]=4 75 B7R1.1 O=CC1CCOC1 2H15-1-1K [1,0,0,1,0,0|2,0,0]=4 76 B7R1.4 NC1CCSC1=O 8H70-5-Z1 [1,0,0,1,0,0|1,1,0]=4 77 B7R1.4 O=C1CCCC1Cl 2217-5-04 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.4 O=C1NCCC1O 4H20-1-X1 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.4 O=C1OCCC1Br 2125-9-01 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.24 C1CCCOCC1 2H10-1-0X [1,0,0,1,0,0|1,0,1]=4 81 B9R1.34 CC1CC(=O)CC(=O)C1 P612-A-64 [0,1,0,1,0,0|1,0,1]=4 82 B9R1.38 CC1(C)CC(=O)OC1=O 2H26-1-08 [0,1,0,1,0,0|0,0,1]=3 83 B9R1.2 CCN1CCCC(=O)C1 4H56-5-N3 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.40 CC1(C)NCCNC1=O 4H48-1-AJ [0,1,0,1,0,0|1,0,0]=3 85 B9R1.35 CC(C)[C@@H]1COC(=O)N1 4H48-1-R4 [0,1,0,1,0,0|0,0,0]=2 86 B9R1.35 CN1CCC(C(=O)O)C1 4H58-1-E4 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.35 [C@H]1(C(C)C)COC(=O)N1 4H56-1-7T [0,1,0,1,0,0|0,0,0]=2 88 B9R1.10 CC1(C)C=CC(=O)CC1 2417-1-02 [0,1,0,1,0,0|2,0,0]=4