0 B8R0.4 C(CN)CNCCCN BC677518 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.4 C(CNCCCO)CO BC220973 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.1 C(CCCCl)CCO BC209640 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.1 C(CN)CNCCBr BC216540 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.1 C(CN)CNCCO BC219712 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.1 C(CSSCCN)N BC201501 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.1 CCCCOCCO BC675581 [1,0,0,0,0,0|1,1,0]=3 7 B7R0.1 COCCOCCCl BC677095 [1,0,0,0,0,0|2,1,0]=4 8 B9R0.2 CCCCCCCC(=O)[O-] BC213313 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.18 C(CC(=O)CCCCl)CCl BC210031 [0,1,0,0,0,0|3,0,0]=4 10 B9R0.45 C(CCCCCl)CCCO BC219789 [0,1,0,0,0,0|2,0,0]=3 11 B9R0.45 C(CCCCO)CCCO BC200248 [0,1,0,0,0,0|2,0,0]=3 12 B9R1.8 C1CC(CNC1)CCO BC223505 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.8 C1CCC(=CC1)CCN BC209653 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.8 C1CCC(CC1)CC#N BC219607 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.8 C1CCN(CC1)CCCl BC219308 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.8 C1CCN(CC1)CCCl BC219309 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.8 C1CCN(CC1)CCO BC219310 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.8 C1CCNC(C1)CCO BC219291 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.8 C1CNC(CN1)CCO BC223429 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.8 C1CNCCC1CCO BC204609 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.8 C1COCCC1CCN BC684470 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.12 C1CCN(C1)CCCBr BC211334 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.12 C1CCN(C1)CCCCl BC211331 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.12 C1CCN(C1)CCCCl BC211332 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.12 C1CCN(C1)CCCO BC211356 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.14 CCN1CCC[C@H]1CN BC215696 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.15 CN1CCCCC1CO BC678877 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.33 CN1CCCC1CCCl BC209929 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.50 C1CCCC(=O)CCC1 BC226157 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.83 CCCCOCC1CO1 BC202676 [0,0,0,1,0,0|1,1,0]=3 31 B6R0.6 C(CCO)CCCl BC220627 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.6 CCCCCCS BC231905 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.6 CCCNCCC BC219597 [2,0,0,0,0,0|1,0,0]=3 34 B6R0.6 CCCSSSC BC218808 [2,0,0,0,0,0|2,0,0]=4 35 B10R0.71 CCCCCCCC#CCO BC226906 [0,2,0,0,0,0|1,0,1]=4 36 B8R1.2 C1CC(CNC1)CN BC219301 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.2 C1CC(CNC1)CN BC677271 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.2 C1CC(CNC1)CO BC202762 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.2 C1CCC(CC1)C#N BC213503 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.2 C1CCC(CC1)C=O BC205561 [1,0,0,1,0,0|1,0,1]=4 41 B8R1.2 C1CCC(CC1)NN BC657075 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.2 C1CNCCC1CBr BC654630 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.2 C1COCCC1CN BC684473 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.2 C1COCCC1CO BC650897 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.2 CCN1CCNCC1 BC226158 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.2 CC[C@H]1CNCCN1 BC203646 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.2 CC[C@H]1CNCCN1 BC688420 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.2 CNC1CCCNC1 BC214780 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.2 CNC1CCNCC1 BC201223 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.2 CNC1CCOCC1 BC645227 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.5 C1CCC(C(C1)N)N BC226565 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.5 C1CC[C@@H]([C@H](C1)N)N BC226567 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.5 C1CC[C@H]([C@@H](C1)N)N BC213280 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.5 C1CC[C@H]([C@@H](C1)N)N BC653693 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.5 CC1CCCCC1O BC219008 [1,0,0,1,0,0|1,0,0]=3 56 B8R1.5 C[C@@H]1CCCC[C@H]1N BC219611 [1,0,0,1,0,0|1,0,0]=3 57 B8R1.8 C1CCN(C1)CCBr BC211337 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.8 C1CCN(C1)CCBr BC211338 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.8 C1CCN(C1)CCCl BC211336 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.8 C1CCN(C1)CCO BC214742 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.8 C1CNCC1CCO BC683601 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.11 C[C@H]1CNC[C@@H]1CO BC244806 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.22 C1CCCC(=O)CC1 BC219858 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.22 CN1CCCNCC1 BC214994 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.36 CCCNCC1CC1 BC205617 [1,0,0,1,0,0|1,0,0]=3 66 B10R1.18 CC(C)CC1CNCCN1 BC688456 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.4 CN1CCCCC1CCCl BC209004 [0,1,0,1,0,0|2,0,0]=4 68 B10R1.17 C1CCOC(C1)OCCBr BC221723 [0,1,0,1,0,0|1,1,0]=4 69 B10R1.17 C1COCCN1CCCCl BC201559 [0,1,0,1,0,0|2,0,0]=4 70 B10R1.17 C1COCCN1CCCCl BC211339 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.17 C1COCCN1CCCO BC211357 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.17 CCCCN1CCOCC1 BC214239 [0,1,0,1,0,0|1,0,0]=3 73 B10R1.20 CN[C@@H]1CCCC[C@H]1NC BC215477 [0,1,0,1,0,0|2,0,0]=4 74 B10R1.20 CN[C@@H]1CCCC[C@H]1NC BC632524 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.161 C1CCCC(CCC1)C=O BC215466 [0,1,0,1,0,0|1,0,1]=4 76 B10R2.7 C1CCC2CNCC2C1 BC200566 [0,0,0,2,0,0|1,0,0]=3 77 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 BC218845 [0,0,0,2,0,0|1,0,0]=3 78 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 BC677558 [0,0,0,2,0,0|1,0,0]=3 79 B10R2.7 C1C[C@@H]2CNC[C@@H]2NC1 BC209441 [0,0,0,2,0,0|2,0,0]=4 80 B10R2.7 C1C[C@@H]2CNC[C@@H]2NC1 BC677908 [0,0,0,2,0,0|2,0,0]=4 81 B10R2.136 C1CCN(C1)C2CNC2 BC626949 [0,0,0,2,0,0|2,0,0]=4