0 B6R0.6 BrCCCCCBr CS-W019956 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 BrCCOCCBr CS-W014174 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 C=CCCCCO CS-W013711 [0,0,0,0,0,0|0,1,2]=3 3 B6R0.6 N#CCCCCBr CS-D1429 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.6 N#CCCCCCl CS-W022361 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.6 OCCCCCO CS-W020635 [0,0,0,0,0,0|1,1,0]=2 6 B5R0.2 C#CCCCO CS-W011358 [1,0,0,0,0,0|0,1,2]=4 7 B5R0.2 C=CCCCBr CS-W018483 [1,0,0,0,0,0|1,0,2]=4 8 B5R0.2 CNCCNC CS-0020009 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.2 COCCCBr CS-W010945 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.2 COCCCO CS-W020636 [1,0,0,0,0,0|1,1,0]=3 11 B5R0.2 ClCCCCI CS-W019348 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.2 NCCCCBr CS-W005399 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.2 NCCCCF CS-0098954 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.1 C=CCCCCCBr CS-W009270 [0,1,0,0,0,0|1,0,1]=3 15 B7R0.1 ClCCCCCCBr CS-W010503 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.1 NCCCNCCBr CS-W022895 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.1 NCCSSCCN CS-0032055 [0,1,0,0,0,0|3,0,0]=4 18 B7R0.1 OCCSSCCO CS-0113483 [0,1,0,0,0,0|2,1,0]=4 19 B7R0.3 COC(=O)CCCBr CS-W004701 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.3 COC(=O)CCCCl CS-0001466 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.4 CC(=O)OCCCCl CS-W017752 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.4 O=C(O)CCCCBr CS-W017172 [0,1,0,0,0,0|1,1,1]=4 23 B7R0.4 O=C(O)CCCCCl CS-W022362 [0,1,0,0,0,0|1,1,1]=4 24 B7R0.4 O=C([O-])CCCCO CS-0047732 [0,1,0,0,0,0|1,1,1]=4 25 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,1,0,0,0,0|2,0,1]=4 26 B7R1.1 BrCC1CCCC1 CS-W004985 [0,0,0,1,0,0|1,0,0]=2 27 B7R1.1 BrCC1OCCO1 CS-W021428 [0,0,0,1,0,0|2,1,0]=4 28 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [0,0,0,1,0,0|1,1,0]=3 31 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [0,0,0,1,0,0|1,1,0]=3 32 B7R1.1 [C@@H]1(CN)CCCO1 CS-W011316 [0,0,0,1,0,0|1,1,0]=3 33 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [0,0,0,1,0,0|1,1,0]=3 34 B7R1.3 BrC1CCNCC1 CS-W014130 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.3 CC1CNCCO1 CS-D1584 [0,0,0,1,0,0|1,1,0]=3 36 B7R1.3 CC1COCCN1 CS-W009058 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.3 CC1SCCCS1 CS-0094743 [0,0,0,1,0,0|1,0,0]=2 38 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.3 ClC1CCOCC1 CS-W016579 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.3 NC1CCCOC1 CS-0044162 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.3 NC1CCOCC1 CS-B0654 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.3 NC1CCOCC1 CS-W002372 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.3 NN1CCCCC1 CS-W007639 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.3 N[C@H]1CCCNC1 CS-W020063 [0,0,0,1,0,0|2,0,0]=3 45 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.3 O=C1CCNCC1 CS-W018762 [0,0,0,1,0,0|1,1,1]=4 47 B7R1.3 O=C1CCNCC1 CS-W020094 [0,0,0,1,0,0|1,1,1]=4 48 B7R1.3 OC1CCCNC1 CS-W013706 [0,0,0,1,0,0|1,1,0]=3 49 B7R1.3 OC1CCNCC1 CS-W004328 [0,0,0,1,0,0|1,1,0]=3 50 B7R1.3 OC1CCSCC1 CS-D1275 [0,0,0,1,0,0|1,1,0]=3 51 B7R1.3 OC1CNCCO1 CS-W006148 [0,0,0,1,0,0|2,1,0]=4 52 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,0,0,1,0,0|1,1,0]=3 53 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,0,0,1,0,0|1,1,0]=3 55 B7R1.4 N[C@@H]1CNC[C@H]1F CS-0094714 [0,0,0,1,0,0|3,0,0]=4 56 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [0,0,0,1,0,0|1,1,0]=3 57 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [0,0,0,1,0,0|1,1,0]=3 58 B7R1.24 C1CNCCNC1 CS-W007768 [0,0,0,1,0,0|2,0,0]=3 59 B4R0.2 CNCCBr CS-0042068 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.2 CSCCN CS-0063136 [2,0,0,0,0,0|2,0,0]=4 61 B4R0.2 OCCCBr CS-W007337 [2,0,0,0,0,0|1,1,0]=4 62 B4R0.2 OCCCO CS-W018490 [2,0,0,0,0,0|1,1,0]=4 63 B6R0.1 CCCC(Cl)CC CS-0102884 [1,1,0,0,0,0|0,0,0]=2 64 B6R0.1 CCC[C@H](N)CO CS-M1841 [1,1,0,0,0,0|0,1,0]=3 65 B6R0.1 OCCC(O)CO CS-0008443 [1,1,0,0,0,0|1,1,0]=4 66 B6R0.4 CC(C)CCCO CS-W007511 [1,1,0,0,0,0|0,1,0]=3 67 B6R0.4 CNCCC(C)C CS-W018343 [1,1,0,0,0,0|1,0,0]=3 68 B6R0.4 CNCCN(C)C CS-W022914 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.1 CCCC[C@H](N)CCO CS-0063111 [0,2,0,0,0,0|0,1,0]=3 70 B8R0.1 CCOC(=O)CCCN CS-W010794 [0,2,0,0,0,0|1,0,1]=4 71 B8R0.4 BrCCCCCCCBr CS-W010166 [0,2,0,0,0,0|1,0,0]=3 72 B8R0.4 CCOCCOCCO CS-0015134 [0,2,0,0,0,0|0,1,0]=3 73 B8R0.4 OCCCCCCCBr CS-W008425 [0,2,0,0,0,0|0,1,0]=3 74 B8R0.6 COC(=O)CCCCCl CS-0098043 [0,2,0,0,0,0|1,0,1]=4 75 B8R0.6 COC(=O)CCCCN CS-0018002 [0,2,0,0,0,0|1,0,1]=4 76 B8R0.7 CC(C)NCCCCO CS-M3069 [0,2,0,0,0,0|0,1,0]=3 77 B8R0.7 O=C(O)CCCCCCl CS-W018132 [0,2,0,0,0,0|0,1,1]=4 78 B8R0.3 CCOC(=O)[C@@H](N)CS CS-B1669 [0,2,0,0,0,0|1,0,1]=4 79 B6R1.1 C1CCNCC1 CS-W004746 [1,0,0,1,0,0|1,0,0]=3 80 B6R1.2 NC1CCNC1 CS-W016190 [1,0,0,1,0,0|2,0,0]=4 81 B6R1.2 OC1CCNC1 CS-W022946 [1,0,0,1,0,0|1,1,0]=4 82 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [1,0,0,1,0,0|1,1,0]=4 83 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [1,0,0,1,0,0|1,1,0]=4 84 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [1,0,0,1,0,0|1,1,0]=4 85 B6R1.2 O[C@H]1CCNC1 CS-M0906 [1,0,0,1,0,0|1,1,0]=4 86 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [1,0,0,1,0,0|1,0,0]=3 87 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [1,0,0,1,0,0|2,0,0]=4 88 B6R1.3 CNCC1CC1 CS-0045377 [1,0,0,1,0,0|1,0,0]=3 89 B6R1.3 N#CCC1CC1 CS-0051913 [1,0,0,1,0,0|1,0,1]=4 90 B6R1.3 OCCN1CC1 CS-W023058 [1,0,0,1,0,0|1,1,0]=4 91 B6R1.3 OCC[C@H]1CO1 CS-0081472 [1,0,0,1,0,0|1,1,0]=4 92 B6R1.6 COC1CNC1 CS-W008894 [1,0,0,1,0,0|2,0,0]=4 93 B6R1.6 NCC1CNC1 CS-W022574 [1,0,0,1,0,0|2,0,0]=4 94 B6R1.6 NCC1COC1 CS-W008698 [1,0,0,1,0,0|2,0,0]=4 95 B6R1.6 OCC1CCO1 CS-W019194 [1,0,0,1,0,0|1,1,0]=4 96 B6R1.6 OCC1COC1 CS-W004925 [1,0,0,1,0,0|1,1,0]=4 97 B8R1.2 C#CC1CCCCC1 CS-W022720 [0,1,0,1,0,0|1,0,0]=3 98 B8R1.2 CCC1CNCCN1 CS-D0270 [0,1,0,1,0,0|1,0,0]=3 99 B8R1.2 CC[C@@H]1CNCCN1 CS-M3408 [0,1,0,1,0,0|1,0,0]=3 100 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [0,1,0,1,0,0|1,0,0]=3 101 B8R1.2 COC1CCNCC1 CS-0040128 [0,1,0,1,0,0|1,1,0]=4 102 B8R1.2 COC1CCNCC1 CS-W005038 [0,1,0,1,0,0|1,1,0]=4 103 B8R1.2 N#CC1CCCCN1 CS-0092627 [0,1,0,1,0,0|1,0,1]=4 104 B8R1.2 N#CC1CCNCC1 CS-0007612 [0,1,0,1,0,0|1,0,1]=4 105 B8R1.2 NCC1CCCCC1 CS-0015361 [0,1,0,1,0,0|1,0,0]=3 106 B8R1.2 NCC1CCCCN1 CS-W011240 [0,1,0,1,0,0|1,0,0]=3 107 B8R1.2 NCC1CCOCC1 CS-W008973 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.2 NNC1CCCCC1 CS-W007595 [0,1,0,1,0,0|1,0,0]=3 109 B8R1.2 NNC1CCOCC1 CS-0037407 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.2 NNC1CCOCC1 CS-B0289 [0,1,0,1,0,0|2,0,0]=4 111 B8R1.2 O=CC1CCOCC1 CS-D1228 [0,1,0,1,0,0|0,1,1]=4 112 B8R1.2 OCC1CCCCC1 CS-W011242 [0,1,0,1,0,0|0,1,0]=3 113 B8R1.2 OCC1CCCCN1 CS-W013620 [0,1,0,1,0,0|0,1,0]=3 114 B8R1.2 OCC1CCOCC1 CS-D1227 [0,1,0,1,0,0|0,1,0]=3 115 B8R1.2 OC[C@@H]1COCCN1 CS-0034507 [0,1,0,1,0,0|1,1,0]=4 116 B8R1.2 OC[C@@H]1COCCN1 CS-W018991 [0,1,0,1,0,0|1,1,0]=4 117 B8R1.2 OC[C@H]1CCCCN1 CS-W018567 [0,1,0,1,0,0|0,1,0]=3 118 B8R1.2 OC[C@H]1COCCO1 CS-0102180 [0,1,0,1,0,0|1,1,0]=4 119 B8R1.5 CC1CNCCC1=O CS-D0046 [0,1,0,1,0,0|0,1,1]=4 120 B8R1.5 N[C@H]1CCCC[C@@H]1N CS-M0769 [0,1,0,1,0,0|1,0,0]=3 121 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-D0607 [0,1,0,1,0,0|0,1,0]=3 122 B8R1.5 N[C@H]1CCCC[C@H]1N CS-M3552 [0,1,0,1,0,0|1,0,0]=3 123 B8R1.5 O[C@H]1CCCC[C@H]1O CS-0059289 [0,1,0,1,0,0|0,1,0]=3 124 B8R1.8 ClCCN1CCCC1 CS-D1148 [0,1,0,1,0,0|1,0,0]=3 125 B8R1.11 CN1CCC[C@H]1CO CS-0030792 [0,1,0,1,0,0|0,1,0]=3 126 B8R1.3 CC1CCC(O)CC1 CS-0059254 [0,1,0,1,0,0|0,1,0]=3 127 B8R1.3 CN1CCC(O)CC1 CS-W019412 [0,1,0,1,0,0|1,1,0]=4 128 B8R1.3 N[C@H]1CC[C@H](N)CC1 CS-W007732 [0,1,0,1,0,0|1,0,0]=3 129 B8R1.3 N[C@H]1CC[C@H](O)CC1 CS-W019841 [0,1,0,1,0,0|0,1,0]=3 130 B8R1.4 CC1CNCC(C)C1 CS-W011255 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 CS-0001868 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [0,1,0,1,0,0|0,1,1]=4 133 B8R1.72 CC1(C)CCNCC1 CS-W005691 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.72 CC1(C)CNCCN1 CS-D0739 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.72 CC1(N)CCCCC1 CS-0037804 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.72 CC1(O)CCCCC1 CS-W013634 [0,1,0,1,0,0|0,1,0]=3 137 B8R1.72 CC1(O)CCNCC1 CS-M0531 [0,1,0,1,0,0|1,1,0]=4 138 B8R1.72 CC1(O)CCNCC1 CS-W004838 [0,1,0,1,0,0|1,1,0]=4 139 B8R2.19 NC1CCC12CC2 CS-0109007 [0,0,0,2,0,0|1,0,0]=3