0 B11R1.40 COC(=O)CC1CCCCC1 20243 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 COC(=O)CC1CCCNC1 11376 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 COC(=O)CC1CCNCC1 14078 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 COC(=O)CC1CCNCC1 14079 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 COC(=O)C[C@@H]1CCCNC1 11381 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 COC(=O)C[C@H]1CCCNC1 11385 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.17 CCCCC1CCNCC1 2453 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.17 CCCCC1CCNCC1 2488 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.17 CCCCN1CCNCC1 9280 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 CCCCN1CCOCC1 16812 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 CCOCC1CCCCN1 17612 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 COCCC1CCCCN1 23951 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.17 COCCN1CCNCC1 14209 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 OCCCC1CCNCC1 16201 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.18 CC(C)CN1CCNCC1 8566 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.18 CC(C)C[C@@H]1COCCN1 11413 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.18 CC(C)C[C@H]1COCCN1 11414 [1,0,0,0,0,0|2,0,0]=3 17 B12R1.32 CCOC(=O)CC1CCCCC1 20245 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O 5760 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.118 COC(OC)[SiH2]C1CCCCC1 35609 [0,1,0,0,0,0|1,1,0]=3 20 B12R2.18 NC1C(O)CC2CCCCC21 13955 [0,0,0,1,0,0|3,0,0]=4 21 B12R2.32 [AsH2]O[C@H]1C[C@@H]2CCCC[C@@H]2N1 14056 [0,0,0,1,0,0|3,0,0]=4 22 B12R2.2918 O=C1CC2(CCCCC2)CN1 15198 [0,0,0,1,0,0|1,0,1]=3 23 B12R2.2918 O=C1CC2(CCCCC2)CN1 20713 [0,0,0,1,0,0|1,0,1]=3 24 B12R2.2918 O=C1CC2(CCNCC2)CN1 21045 [0,0,0,1,0,0|2,0,1]=4 25 B12R2.2918 O=C1CC2(CCNCC2)CN1 25393 [0,0,0,1,0,0|2,0,1]=4 26 B10R1.15 CCC(C)N1CCNCC1 9281 [0,0,0,0,1,0|3,0,0]=4 27 B10R1.15 COC(=O)C1CCCCC1 11146 [0,0,0,0,1,0|2,0,1]=4 28 B10R1.15 N#C[C@@H](O)C1CCCCC1 17484 [0,0,0,0,1,0|3,0,0]=4 29 B10R1.15 N#C[C@H](O)C1CCCCC1 17482 [0,0,0,0,1,0|3,0,0]=4 30 B9R0.46 CCC(C)CCCCCBr 18977 [1,0,1,0,0,0|2,0,0]=4 31 B9R0.46 CCCCCCC(C)CBr 18952 [1,0,1,0,0,0|2,0,0]=4 32 B9R0.2 CC(C)CCCCCCBr 18956 [1,0,1,0,0,0|1,0,0]=3 33 B9R0.45 CCCCCCCCCBr 3809 [1,0,1,0,0,0|2,0,0]=4 34 B9R0.45 CCCCCCCCCI 3958 [1,0,1,0,0,0|2,0,0]=4 35 B9R1.8 BrCCC1CCOCC1 16818 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.8 CCCC1CCNCC1 2452 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.8 CCCC1CCNCC1 2489 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.8 CCC[C@@H]1CCCCN1 15600 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.8 CCC[C@H]1CCCCN1 15602 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.8 CCOC1CCCNC1 31884 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.8 CCOC1CCNCC1 9355 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.8 COCC1CCCCN1 17613 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.8 ClCCN1CCCCC1 6742 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.8 ClCCN1CCCCC1 7730 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.8 N#CCC1CCCCC1 31720 [2,0,0,0,0,0|0,0,2]=4 46 B9R1.8 NCCC1CCCCO1 17887 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.8 NCCC1CCOCC1 9727 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.8 NCCC1CCOCC1 9732 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.8 NCCN1CCNCC1 8568 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.8 NCCN1CCOCC1 14463 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.8 OCCC1CCCCN1 7711 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.8 OCCC1CCNCC1 6947 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.16 CNCC(=O)N1CCCCC1 8029 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.17 CCCCC1CCCCC1=O 20238 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.28 NCCCNC1CCCCC1 20249 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.28 OCCCCC1CCCCC1 16196 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.91 O=C(O)CCC1CCCCC1 20248 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.900 CCCCC1(O)CCCCC1 20384 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.86 CN(C)CC1CCCCC1=O 27055 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.86 CN(C)CC1CCCCC1=O 35621 [1,1,0,0,0,0|1,0,1]=4 61 B11R2.20 C1CCC2NCCCC2C1 5848 [1,0,0,1,0,0|2,0,0]=4 62 B11R2.20 C1CCN2CCNCC2C1 17670 [1,0,0,1,0,0|1,0,0]=3 63 B11R2.1261 C1CC2(CCN1)CCOC2 19734 [1,0,0,1,0,0|2,0,0]=4 64 B11R2.1261 C1CC2(CCN1)CCOC2 19736 [1,0,0,1,0,0|2,0,0]=4 65 B11R2.1261 C1CCC2(C1)CCNCC2 11426 [1,0,0,1,0,0|2,0,0]=4 66 B11R2.1261 C1CCC2(C1)CCNCC2 17195 [1,0,0,1,0,0|2,0,0]=4 67 B11R2.16 CO[C@H]1C[C@@H]2CC[C@H](C1)N2 25999 [0,0,0,1,1,0|2,0,0]=4 68 B13R3.3861 BrC1C2CC3CC(C2)CC1C3 8752 [0,0,0,2,0,0|2,0,0]=4 69 B13R3.3861 C=C1C2CC3CC(C2)CC1C3 8847 [0,0,0,2,0,0|1,0,1]=4 70 B13R3.3861 CC1C2CC3CC(C2)CC1C3 8729 [0,0,0,2,0,0|1,0,0]=3 71 B13R3.3861 ClC1C2CC3CC(C2)CC1C3 21512 [0,0,0,2,0,0|2,0,0]=4 72 B13R3.3861 FC1C2CC3CC(C2)CC1C3 8800 [0,0,0,2,0,0|2,0,0]=4 73 B13R3.3861 NC1C2CC3CC(C2)CC1C3 8789 [0,0,0,2,0,0|2,0,0]=4 74 B13R3.3861 NC1C2CC3CC(C2)CC1C3 8791 [0,0,0,2,0,0|2,0,0]=4 75 B13R3.3861 O=C1C2CC3CC(C2)CC1C3 8730 [0,0,0,2,0,0|2,0,0]=4 76 B13R3.3861 OC1C2CC3CC(C2)CC1C3 8753 [0,0,0,2,0,0|2,0,0]=4 77 B13R3.3861 [O]N1C2CC3CC(C2)CC1C3 35739 [0,0,0,2,0,0|1,0,0]=3 78 B9R1.12 CCCCN1CCCC1 14061 [1,0,0,0,1,0|2,0,0]=4 79 B9R1.6 CC(C)N1CCNCC1 15879 [1,0,0,0,1,0|2,0,0]=4 80 B9R1.6 CC(C)[C@@H]1CNCCO1 17562 [1,0,0,0,1,0|2,0,0]=4 81 B9R1.6 CC(C)[C@@H]1CNCCO1 17564 [1,0,0,0,1,0|2,0,0]=4 82 B9R1.6 CC(C)[C@@H]1COCCN1 11415 [1,0,0,0,1,0|2,0,0]=4 83 B9R1.6 CC(C)[C@@H]1COCCN1 21103 [1,0,0,0,1,0|2,0,0]=4 84 B9R1.6 CC(C)[C@H]1CNCCO1 17561 [1,0,0,0,1,0|2,0,0]=4 85 B9R1.6 CC(C)[C@H]1CNCCO1 17563 [1,0,0,0,1,0|2,0,0]=4 86 B9R1.6 CC(C)[C@H]1COCCN1 11416 [1,0,0,0,1,0|2,0,0]=4 87 B9R1.6 CC(N)C1=CCCCC1 36006 [1,0,0,0,1,0|0,0,2]=4 88 B9R1.6 CN(C)C1CCCNC1 6751 [1,0,0,0,1,0|2,0,0]=4 89 B9R1.6 CN(C)C1CCNCC1 19773 [1,0,0,0,1,0|2,0,0]=4 90 B9R1.6 CN(C)C1CCNCC1 6749 [1,0,0,0,1,0|2,0,0]=4 91 B9R1.6 CN(C)C1CCOCC1 26061 [1,0,0,0,1,0|2,0,0]=4