0 B6R0.6 C#CCCCCO CS-W016659 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.6 C=CCCCCBr CS-W008939 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.6 ClCCCCCBr CS-W016940 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.6 ClCCNCCCl CS-W020124 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.6 FCCCCCBr CS-W005161 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.6 ICCCCCI CS-0041009 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.6 NCCNCCO CS-W011299 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.6 OCCOCCCl CS-0016058 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.2 BrCCCCBr CS-W020631 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.2 C#CCCCCl CS-W009550 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.2 C=CCCCO CS-W011355 [1,0,0,0,0,0|0,0,2]=3 11 B5R0.2 COCCC#N CS-0030563 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.2 ICCCCI CS-W004871 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.2 N#CCCCCl CS-D1161 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.1 C#CCCCCCO CS-W007441 [0,1,0,0,0,0|0,0,1]=2 15 B7R0.1 ClCCCCCCI CS-0059200 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.1 NCCCCCCN CS-W015964 [0,1,0,0,0,0|1,0,0]=2 17 B7R0.1 OCCCCCCCl CS-B1599 [0,1,0,0,0,0|0,0,0]=1 18 B7R0.4 C(CCC)=CC(=O)O CS-W011247 [0,1,0,0,0,0|0,0,3]=4 19 B7R0.4 CC(O)CNCCO CS-M0804 [0,1,0,0,0,0|1,0,0]=2 20 B7R0.4 CCCCCB(O)O CS-W018820 [0,1,0,0,0,0|1,0,0]=2 21 B7R0.7 COCC(N)COC CS-W005488 [0,1,0,0,0,0|3,0,0]=4 22 B7R1.1 COC1=NCCC1 CS-W022401 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.1 COC1CCNC1 CS-W004880 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.1 NCC1CCCN1 CS-0019253 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.1 NCC1CCOC1 CS-W004787 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.1 OCC1CCOC1 CS-D1159 [0,0,0,1,0,0|1,0,0]=2 27 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,0,0,1,0,0|1,0,0]=2 28 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,0,0,1,0,0|1,0,0]=2 29 B7R1.3 BrC1CCCCC1 CS-W017925 [0,0,0,1,0,0|1,0,0]=2 30 B7R1.3 C=C1CCNCC1 CS-D0508 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,0,0,1,0,0|1,0,0]=2 33 B7R1.3 ClC1CCNCC1 CS-W006160 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.3 O=C1CCCCN1 CS-W022933 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.3 O=C1CCCOC1 CS-D1576 [0,0,0,1,0,0|1,0,2]=4 37 B7R1.3 OC1CCCNC1 CS-D1393 [0,0,0,1,0,0|1,0,0]=2 38 B7R1.3 OC1CCCOC1 CS-D1560 [0,0,0,1,0,0|1,0,0]=2 39 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,0,0,1,0,0|2,0,0]=3 40 B4R0.2 BrCCCBr CS-W020641 [2,0,0,0,0,0|2,0,0]=4 41 B4R0.2 NCCCBr CS-W008585 [2,0,0,0,0,0|2,0,0]=4 42 B4R0.2 NCCCCl CS-0015792 [2,0,0,0,0,0|2,0,0]=4 43 B4R0.2 NCCCO CS-W020089 [2,0,0,0,0,0|1,0,0]=3 44 B6R0.1 CCC[C@H](N)CO CS-M2256 [1,1,0,0,0,0|0,0,0]=2 45 B6R0.1 COC(C)CCO CS-W013686 [1,1,0,0,0,0|1,0,0]=3 46 B6R0.4 CC(=O)CCCCl CS-W013569 [1,1,0,0,0,0|1,0,1]=4 47 B6R0.4 CC(C)OCCBr CS-W018660 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.4 CN(C)CCCCl CS-W019575 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.4 CNCCC(C)C CS-0039334 [1,1,0,0,0,0|1,0,0]=3 50 B6R0.4 COCCC(=O)O CS-W009112 [1,1,0,0,0,0|1,0,1]=4 51 B8R0.1 CCOC(=O)CCCBr CS-W020133 [0,2,0,0,0,0|1,0,1]=4 52 B8R0.4 COCCNCCOC CS-D1692 [0,2,0,0,0,0|1,0,0]=3 53 B8R0.7 C#CCCCCC(=O)O CS-0020150 [0,2,0,0,0,0|0,0,2]=4 54 B8R0.7 CN(C)CCOCCO CS-W011078 [0,2,0,0,0,0|1,0,0]=3 55 B8R0.7 O=C(O)CCCCCBr CS-W007559 [0,2,0,0,0,0|0,0,1]=3 56 B8R0.3 CCOC(=O)[C@H](N)CO CS-W022750 [0,2,0,0,0,0|1,0,1]=4 57 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [0,2,0,0,0,0|0,0,1]=3 58 B8R0.11 CCCCC(CC)CBr CS-W004392 [0,2,0,0,0,0|1,0,0]=3 59 B8R0.11 CCCCC(CC)CO CS-0016002 [0,2,0,0,0,0|0,0,0]=2 60 B8R0.11 COC(CCCCl)OC CS-W008139 [0,2,0,0,0,0|2,0,0]=4 61 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [0,2,0,0,0,0|1,0,1]=4 62 B8R0.30 O=S(=O)(CCO)CCO CS-W019027 [0,2,0,0,0,0|2,0,0]=4 63 B6R1.1 C1CCNNC1 CS-0038680 [1,0,0,1,0,0|2,0,0]=4 64 B6R1.1 C1CSCCN1 CS-W007359 [1,0,0,1,0,0|1,1,0]=4 65 B6R1.2 BrC1CCNC1 CS-W005728 [1,0,0,1,0,0|2,0,0]=4 66 B6R1.2 CC1CCNC1 CS-W021968 [1,0,0,1,0,0|1,0,0]=3 67 B6R1.2 NC1CCOC1 CS-D1564 [1,0,0,1,0,0|2,0,0]=4 68 B6R1.2 O[C@H]1CCNC1 CS-W008801 [1,0,0,1,0,0|1,0,0]=3 69 B6R1.3 NCCC1CC1 CS-W006511 [1,0,0,1,0,0|1,0,0]=3 70 B6R1.3 NOCC1CC1 CS-W019324 [1,0,0,1,0,0|2,0,0]=4 71 B6R1.3 OCCC1CC1 CS-W016679 [1,0,0,1,0,0|0,0,0]=2 72 B6R1.6 BrCC1CCC1 CS-0015296 [1,0,0,1,0,0|1,0,0]=3 73 B6R1.6 BrCC1COC1 CS-W018850 [1,0,0,1,0,0|2,0,0]=4 74 B6R1.6 CNC1CNC1 CS-0043910 [1,0,0,1,0,0|2,0,0]=4 75 B6R1.6 CNC1COC1 CS-0040193 [1,0,0,1,0,0|2,0,0]=4 76 B6R1.6 OCC1CNC1 CS-D1756 [1,0,0,1,0,0|1,0,0]=3 77 B8R1.2 N#CC1CCCCC1 CS-W019522 [0,1,0,1,0,0|1,0,0]=3 78 B8R1.2 N#CC1CCNCC1 CS-0019876 [0,1,0,1,0,0|1,0,1]=4 79 B8R1.2 N#CC1CCOCC1 CS-W019661 [0,1,0,1,0,0|1,0,1]=4 80 B8R1.2 NCC1CNCCO1 CS-0046184 [0,1,0,1,0,0|1,0,0]=3 81 B8R1.2 NOC1CCCCO1 CS-W007325 [0,1,0,1,0,0|1,0,0]=3 82 B8R1.2 OCC1CNCCO1 CS-W022892 [0,1,0,1,0,0|1,0,0]=3 83 B8R1.2 [C@H]1(CO)COCCN1 CS-W006711 [0,1,0,1,0,0|1,0,0]=3 84 B8R1.5 CC1CCCCC1=O CS-W011265 [0,1,0,1,0,0|0,0,1]=3 85 B8R1.5 CC1CNCCN1C CS-W005051 [0,1,0,1,0,0|2,0,0]=4 86 B8R1.5 N[C@@H]1CCCC[C@H]1N CS-0019667 [0,1,0,1,0,0|1,0,0]=3 87 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-W019691 [0,1,0,1,0,0|0,0,0]=2 88 B8R1.5 [C@@H]1(N)CCCC[C@H]1O CS-W005443 [0,1,0,1,0,0|0,0,0]=2 89 B8R1.8 BrCCC1OCCO1 CS-W019935 [0,1,0,1,0,0|1,0,0]=3 90 B8R1.8 COC[C@H]1CCCN1 CS-W002305 [0,1,0,1,0,0|1,0,0]=3 91 B8R1.8 NCCN1CCCC1 CS-D1372 [0,1,0,1,0,0|1,0,0]=3 92 B8R1.11 CCN1CCCC1=O CS-W013650 [0,1,0,1,0,0|0,0,2]=4 93 B8R1.22 CC1CCNCCN1 CS-W022406 [0,1,0,1,0,0|1,0,0]=3 94 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 CS-0043961 [0,1,0,1,0,0|1,0,0]=3 95 B8R1.3 CN1CCC(Cl)CC1 CS-W013387 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.3 CN1CCC(N)CC1 CS-W016605 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.3 C[C@H]1CN[C@H](C)CN1 CS-B1271 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,1,0,1,0,0|0,0,2]=4 99 B8R1.3 N[C@H]1CC[C@@H](O)CC1 CS-W019682 [0,1,0,1,0,0|0,0,0]=2 100 B8R1.3 N[C@H]1CC[C@H](O)CC1 CS-W023031 [0,1,0,1,0,0|0,0,0]=2 101 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,1,0,1,0,0|1,0,1]=4 102 B8R1.3 OC1CSC(O)CS1 CS-W018087 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.3 [C@H]1(O)CC[C@H](O)CC1 CS-W005575 [0,1,0,1,0,0|0,0,0]=2 104 B8R1.4 CC1CCCC(N)C1 CS-D0430 [0,1,0,1,0,0|1,0,0]=3 105 B8R1.4 [C@H]1(C)CNC[C@@H](C)N1 CS-W013630 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [0,1,0,1,0,0|0,0,2]=4 107 B8R1.7 CC(O)C1CCNC1 CS-0033515 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [0,1,0,1,0,0|0,0,1]=3 109 B8R1.72 CC1(C)COCCN1 CS-0094495 [0,1,0,1,0,0|2,0,0]=4 110 B8R2.34 C1O[C@@H]2CN[C@H]1C2 CS-W019161 [0,0,0,2,0,0|1,0,0]=3