0 B8R0.7 CC(=O)NCCCCN S12336 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.7 CNCCCNC(C)=O C78307 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.7 NC(=O)CCCCCO AC6170 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.7 O=CNCCCC(=O)O AB3831 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.7 O=[N+]([O-])OCCCCO F10406 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.1 C=CCCCCCCl I11994 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.1 C=CCCCCCO F14745 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.1 C\C=C/CCCCC T72919 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.1 O=CCCCCCCl 24359 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 C=C(C)CC\C=C\C T72820 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 C=CCOCC(=O)O D77063 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.4 CC(=O)NCCCN AR2174 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.4 CNCCCC(N)=O AB11605 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 CNCCNC(C)=O C77870 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.4 C[S@](=O)CCCCN 13216 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.4 NC(=O)CCCCBr AC9465 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.4 NC(=O)CCCCCl AC5718 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.4 NCCCCC(N)=O AC3685 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.46 COCCCCC(=O)OC AC9127 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.55 O=C(O)CCCC[13C](=O)O D98793 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.6 CC(=O)[C@@H]1CCCCN1 F16683 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.6 CC(=O)[C@H]1CCCNC1 P11325 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.6 CC(=O)[C@H]1CCCOC1 AT13308 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.13 CC(=O)CC1CCCC1 N12760 [0,0,0,1,0,0|1,0,2]=4 24 B9R1.41 CC(=O)[C@@H]1CCCC1=O F17111 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.48 CN1CCCNC(=O)C1 AT20054 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.96 CC(=O)N1CC[C@@H]1CO P19109 [0,0,0,1,0,0|2,0,1]=4 27 B6R0.6 C=CCCCC=C T72268 [2,0,0,0,0,0|0,0,1]=3 28 B6R0.6 CNCCCOC F15969 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.6 COCCCC#N C77649 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.6 COCCCCN C77605 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.6 COCCCON AT14486 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.6 C\C=C/CCCCl T71143 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.6 O=CNCCCO AC9004 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.4 C=C(C)CCCO 71061 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.4 CCONC(C)=O AT24904 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.4 COCOC(C)=O D72003 [2,0,0,0,0,0|1,0,0]=3 37 B6R0.4 NC(=O)CCCO AT20755 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.4 NCCCC(=O)O T70552 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.4 NCCCC(N)=O AC5898 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.4 O=C(Cl)OCCF AT25498 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.4 C=CCCNCCOC E72576 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.5 C=CC[C@H](N)CC(=O)O 77811 [1,1,0,0,0,0|1,0,0]=3 43 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [1,1,0,0,0,0|0,0,1]=3 44 B8R0.8 C=CCC[C@H](N)C(=O)O AT23573 [1,1,0,0,0,0|1,0,0]=3 45 B8R0.8 C=CCC[C@H](N)C(=O)O AT23574 [1,1,0,0,0,0|1,0,0]=3 46 B8R0.8 CC(=O)N(C)CCCN C78500 [1,1,0,0,0,0|2,0,0]=4 47 B8R0.9 CC(=O)OC[C@@H](O)CO A10893 [1,1,0,0,0,0|1,0,0]=3 48 B8R0.28 C=C(C)CCCC(C)C T70747 [1,1,0,0,0,0|1,0,1]=4 49 B8R0.28 CC(=O)CCCC(C)=O AC9369 [1,1,0,0,0,0|0,0,1]=3 50 B8R0.28 CC(=O)CCCN(C)C AC6136 [1,1,0,0,0,0|1,0,1]=4 51 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [1,1,0,0,0,0|1,0,1]=4 52 B10R0.4 C=CCCCCCOC(C)=O T72533 [0,2,0,0,0,0|0,0,0]=2 53 B10R0.55 NCC(=O)NCCCC(=O)O T72296 [0,2,0,0,0,0|2,0,0]=4 54 B10R0.74 COC(=O)CCCCCC=O A51072 [0,2,0,0,0,0|1,0,1]=4 55 B10R0.97 CC(=O)NCSCCC(=O)O F19967 [0,2,0,0,0,0|2,0,0]=4 56 B10R0.42 C=CCCC[C@](C)(N)C(=O)O F12086 [0,2,0,0,0,0|2,0,0]=4 57 B10R0.42 C=CCCC[C@](C)(N)C(=O)O F12114 [0,2,0,0,0,0|2,0,0]=4 58 B8R1.2 CO[C@@H]1C=CCCC1 D91600 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.5 C=C1CCCNC1=O D80229 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.5 O=C1OCCC=C1Br AC2797 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.1 C=C[C@@H]1COC(=O)C1 88424 [1,0,0,1,0,0|0,0,0]=2 62 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [1,0,0,1,0,0|0,0,2]=4 64 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.1 NC[C@H]1COC(=O)N1 P15383 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [1,0,0,1,0,0|1,0,1]=4 68 B8R1.1 O=C1C[C@H](CBr)CN1 AC8640 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.4 CN1CCCC(=O)C1 C14007 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [1,0,0,1,0,0|0,0,2]=4 71 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [1,0,0,1,0,0|1,0,1]=4 73 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.7 CC(=O)C1=NCCC1 H10253 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [1,0,0,1,0,0|1,0,1]=4 76 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.7 O=C(O)[C@@H]1C=CCN1 F10849 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.35 O=C(Cl)OCC1CC1 C77515 [1,0,0,1,0,0|1,0,1]=4 80 B10R1.54 CC(=O)O[C@@H]1C=C[C@@H](O)C1 F18070 [0,1,0,1,0,0|0,0,0]=2 81 B10R1.54 CC(=O)O[C@@H]1C=C[C@H](O)C1 62221 [0,1,0,1,0,0|0,0,0]=2 82 B10R1.54 CC(=O)O[C@H]1CC[C@H](N)C1 C93262 [0,1,0,1,0,0|0,0,2]=4 83 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 88864 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.18 CC(=O)OC1CCNCC1 95803 [0,1,0,1,0,0|0,0,2]=4 85 B10R1.361 CC(=O)N1CC[C@H]1C(=O)O A50756 [0,1,0,1,0,0|2,0,0]=4 86 B10R2.2 O=C1CC2CCOC2O1 D74390 [0,0,0,2,0,0|1,0,1]=4