0 B7R0.1 C=CCCCCCBr CS-W009270 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 ClCCCCCCBr CS-W010503 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.1 NCCCNCCBr CS-W022895 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.1 NCCSSCCN CS-0032055 [0,0,0,0,0,0|3,1,0]=4 4 B7R0.1 OCCSSCCO CS-0113483 [0,0,0,0,0,0|2,1,0]=3 5 B6R0.6 BrCCCCCBr CS-W019956 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.6 BrCCOCCBr CS-W014174 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.6 C=CCCCCO CS-W013711 [1,0,0,0,0,0|0,0,2]=3 8 B6R0.6 N#CCCCCBr CS-D1429 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.6 N#CCCCCCl CS-W022361 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.6 OCCCCCO CS-W020635 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.1 CCCC[C@H](N)CCO CS-0063111 [0,1,0,0,0,0|1,0,0]=2 12 B8R0.4 BrCCCCCCCBr CS-W010166 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.4 CCOCCOCCO CS-0015134 [0,1,0,0,0,0|0,0,0]=1 14 B8R0.4 OCCCCCCCBr CS-W008425 [0,1,0,0,0,0|1,0,0]=2 15 B8R0.7 CC(C)NCCCCO CS-M3069 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.7 COCCOCC(=O)O CS-0084611 [0,1,0,0,0,0|1,0,1]=3 17 B8R0.7 O=C(O)CCCCCCl CS-W018132 [0,1,0,0,0,0|2,0,1]=4 18 B8R1.2 C#CC1CCCCC1 CS-W022720 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.2 CCC1CNCCN1 CS-D0270 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.2 CC[C@@H]1CNCCN1 CS-M3408 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.2 N#CC1CCCCN1 CS-0092627 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.2 NCC1CCCCC1 CS-0015361 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.2 NCC1CCCCN1 CS-W011240 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.2 NCC1CCOCC1 CS-W008973 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.2 NNC1CCCCC1 CS-W007595 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.2 OCC1CCC=CO1 CS-0020174 [0,0,0,1,0,0|0,0,2]=3 28 B8R1.2 OCC1CCCCC1 CS-W011242 [0,0,0,1,0,0|1,0,0]=2 29 B8R1.2 OCC1CCCCN1 CS-W013620 [0,0,0,1,0,0|1,0,0]=2 30 B8R1.2 OCC1CCOCC1 CS-D1227 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.2 OC[C@@H]1COCCN1 CS-0034507 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.2 OC[C@@H]1COCCN1 CS-W018991 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.2 OC[C@H]1CCCCN1 CS-W018567 [0,0,0,1,0,0|1,0,0]=2 34 B8R1.2 OC[C@H]1COCCO1 CS-0102180 [0,0,0,1,0,0|1,0,0]=2 35 B8R1.5 N[C@H]1CCCC[C@@H]1N CS-M0769 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-D0607 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.5 N[C@H]1CCCC[C@H]1N CS-M3552 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.5 O[C@H]1CCCC[C@H]1O CS-0059289 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.8 ClCCN1CCCC1 CS-D1148 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.11 CN1CCC[C@H]1CO CS-0030792 [0,0,0,1,0,0|2,0,0]=3 41 B5R0.2 C#CCCCO CS-W011358 [2,0,0,0,0,0|0,0,2]=4 42 B5R0.2 CNCCNC CS-0020009 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.2 COCCCBr CS-W010945 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.2 COCCCO CS-W020636 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.2 ClCCCCI CS-W019348 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.2 NCCCCBr CS-W005399 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.2 NCCCCF CS-0098954 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.4 CC(=O)OCCCCl CS-W017752 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.4 O=C([O-])CCCCO CS-0047732 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.7 CCOC(=O)CCBr CS-W007449 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.7 CCOC(=O)CNC CS-W020595 [1,1,0,0,0,0|1,0,1]=4 54 B9R0.45 BrCCCCCCCCBr CS-0007585 [0,2,0,0,0,0|2,0,0]=4 55 B9R0.45 OCCCCCCCCBr CS-0015428 [0,2,0,0,0,0|1,0,0]=3 56 B9R0.45 OCCCCCCCCO CS-W018224 [0,2,0,0,0,0|1,0,0]=3 57 B9R0.45 OCCOCCOCCCl CS-W016036 [0,2,0,0,0,0|0,0,0]=2 58 B7R1.1 BrCC1CCCC1 CS-W004985 [1,0,0,1,0,0|1,0,0]=3 59 B7R1.1 BrCC1OCCO1 CS-W021428 [1,0,0,1,0,0|1,0,0]=3 60 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [1,0,0,1,0,0|1,0,0]=3 63 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [1,0,0,1,0,0|1,0,0]=3 64 B7R1.1 [C@@H]1(CN)CCCO1 CS-W011316 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [1,0,0,1,0,0|1,0,0]=3 66 B7R1.3 BrC1CCNCC1 CS-W014130 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.3 CC1CNCCO1 CS-D1584 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.3 CC1COCCN1 CS-W009058 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.3 CC1SCCCS1 CS-0094743 [1,0,0,1,0,0|1,1,0]=4 70 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.3 ClC1CCOCC1 CS-W016579 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.3 NC1CCCOC1 CS-0044162 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.3 NC1CCOCC1 CS-B0654 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.3 NC1CCOCC1 CS-W002372 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.3 NN1CCCCC1 CS-W007639 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.3 N[C@H]1CCCNC1 CS-W020063 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.3 O=C1COCCO1 CS-0031423 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.3 OC1CCCNC1 CS-W013706 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.3 OC1CCNCC1 CS-W004328 [1,0,0,1,0,0|1,0,0]=3 81 B7R1.3 OC1CCSCC1 CS-D1275 [1,0,0,1,0,0|1,0,0]=3 82 B7R1.3 OC1CNCCO1 CS-W006148 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [1,0,0,1,0,0|1,0,0]=3 84 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [1,0,0,1,0,0|1,0,0]=3 87 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [1,0,0,1,0,0|1,0,0]=3 88 B7R1.24 C1CNCCNC1 CS-W007768 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.2 CN1CCC[C@H](CO)C1 CS-B0136 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.2 CN1CCOC(CO)C1 CS-0061775 [0,1,0,1,0,0|1,0,0]=3 91 B9R1.2 CN1CCO[C@H](CO)C1 CS-0061772 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.8 BrCCC1OCCCO1 CS-W010633 [0,1,0,1,0,0|1,0,0]=3 93 B9R1.8 COCC1CNCCO1 CS-W021442 [0,1,0,1,0,0|1,0,0]=3 94 B9R1.8 COC[C@@H]1CNCCO1 CS-W020731 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.8 COC[C@H]1CNCCO1 CS-W018994 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.8 ClCCN1CCCCC1 CS-B0962 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.8 N#CCC1CCCCC1 CS-W018366 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.8 NCCC1CCOCC1 CS-W021464 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.8 NCCN1CCOCC1 CS-W016546 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.8 OCCC1CCCNC1 CS-WAA0206 [0,1,0,1,0,0|1,0,0]=3 101 B9R1.15 CN1CCCCC1CO CS-W011116 [0,1,0,1,0,0|1,0,0]=3 102 B9R1.15 CN1CCOC[C@@H]1CO CS-0061776 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.15 CN1CCOC[C@H]1CO CS-0101191 [0,1,0,1,0,0|1,0,0]=3 104 B9R1.33 CN1CCCC1CCN CS-W013459 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.50 OC1CCC=CCCC1 CS-W006126 [0,1,0,1,0,0|1,0,1]=4 106 B9R1.14 CCN1CCCC1CN CS-W013458 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.89 N#CC1CCCCCC1 CS-0079887 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.89 OC[C@@H]1CCCCCN1 CS-B0632 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.1 N[C@H]1CC[C@H](CO)CC1 CS-0011345 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.118 NCC1(N)CCCCC1 CS-0064736 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.6 O=C(O)[C@@H]1CCCCN1 CS-0097749 [0,1,0,1,0,0|1,0,1]=4 112 B9R1.6 O=C(O)[C@@H]1CNCCO1 CS-0031402 [0,1,0,1,0,0|1,0,1]=4 113 B9R1.6 O=C(O)[C@H]1CNCCO1 CS-0102851 [0,1,0,1,0,0|1,0,1]=4 114 B9R1.6 OB(O)C1CCCCC1 CS-W007574 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.40 CC1(C)CNCCC1O CS-W019170 [0,1,0,1,0,0|2,0,0]=4 116 B9R2.68 C1CC2CNCC1O2 CS-M0310 [0,0,0,2,0,0|1,0,0]=3