0 B8R0.7 C=CCCCCC(=O)O CS-0097711 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.7 CC(C)NCCCCO CS-M3069 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.7 COCCOCC(=O)O CS-0084611 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.7 O=C(O)CCCCCCl CS-W018132 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.1 C=CCCCCCBr CS-W009270 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.1 ClCCCCCCBr CS-W010503 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.1 NCCCNCCBr CS-W022895 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.1 OCCSSCCO CS-0113483 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.46 COC(=O)CCCCCBr CS-W015176 [0,1,0,0,0,0|1,0,2]=4 11 B9R1.2 CN1CCCC(CN)C1 CS-B1372 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.2 CN1CCC[C@H](CO)C1 CS-B0136 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.6 CC(=O)C1CCCCC1 CS-W007597 [0,0,0,1,0,0|0,0,2]=3 14 B9R1.6 CC(=O)C1CCOCC1 CS-D1226 [0,0,0,1,0,0|1,0,2]=4 15 B9R1.6 CC(C)N1CCNCC1 CS-W013460 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.6 FC(F)C1CCNCC1 CS-W022014 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.6 N=C(O)C1CCNCC1 CS-W013464 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.6 O=C(O)C1CCCNC1 CS-W020556 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.6 O=C(O)C1CCNCC1 CS-D1472 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.6 O=C(O)N1CCCCC1 CS-0084306 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.6 O=C(O)[C@@H]1CCCCN1 CS-0097749 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.6 O=C(O)[C@H]1CCCNC1 CS-0043826 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.6 OB(O)C1CCCCC1 CS-W007574 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.13 O=C(O)C[C@H]1CCCN1 CS-0031343 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.40 CC1(C)CNCCC1O CS-W019170 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001913 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.41 CN1CCC[C@H]1C(=O)O CS-B1517 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,0,0,1,0,0|1,0,2]=4 29 B9R1.50 OC1CCC=CCCC1 CS-W006126 [0,0,0,1,0,0|0,0,2]=3 30 B6R0.6 BrCCCCCBr CS-W019956 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.6 C=CCCCCO CS-W013711 [2,0,0,0,0,0|0,0,2]=4 32 B6R0.6 OCCCCCO CS-W020635 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.4 CC(C)CCCO CS-W007511 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.4 CNCCC(C)C CS-W018343 [2,0,0,0,0,0|2,0,0]=4 35 B8R0.1 CCCC[C@H](N)CCO CS-0063111 [1,1,0,0,0,0|0,0,0]=2 36 B8R0.4 BrCCCCCCCBr CS-W010166 [1,1,0,0,0,0|1,0,0]=3 37 B8R0.4 CCOCCOCCO CS-0015134 [1,1,0,0,0,0|1,0,0]=3 38 B8R0.4 OCCCCCCCBr CS-W008425 [1,1,0,0,0,0|0,0,0]=2 39 B8R0.5 CCOC(=O)C[C@@H](C)O CS-D1461 [1,1,0,0,0,0|1,0,1]=4 40 B10R0.75 [C@H](N)(CCCCCC)C(=O)O CS-W006364 [0,2,0,0,0,0|1,0,0]=3 41 B10R0.97 CC(=O)CCCCCC(=O)O CS-0046839 [0,2,0,0,0,0|1,0,1]=4 42 B8R1.2 C#CC1CCCCC1 CS-W022720 [1,0,0,1,0,0|0,0,2]=4 43 B8R1.2 CCC1CNCCN1 CS-D0270 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.2 CC[C@@H]1CNCCN1 CS-M3408 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.2 COC1CCNCC1 CS-0040128 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.2 COC1CCNCC1 CS-W005038 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.2 NCC1CCCCC1 CS-0015361 [1,0,0,1,0,0|1,0,0]=3 49 B8R1.2 NCC1CCCCN1 CS-W011240 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.2 NCC1CCOCC1 CS-W008973 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.2 NNC1CCCCC1 CS-W007595 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.2 OCC1CCCCC1 CS-W011242 [1,0,0,1,0,0|0,0,0]=2 53 B8R1.2 OCC1CCCCN1 CS-W013620 [1,0,0,1,0,0|1,0,0]=3 54 B8R1.2 OCC1CCOCC1 CS-D1227 [1,0,0,1,0,0|1,0,0]=3 55 B8R1.2 OC[C@@H]1COCCN1 CS-0034507 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.2 OC[C@@H]1COCCN1 CS-W018991 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.2 OC[C@H]1CCCCN1 CS-W018567 [1,0,0,1,0,0|1,0,0]=3 58 B8R1.2 OC[C@H]1COCCO1 CS-0102180 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.5 N[C@H]1CCCC[C@@H]1N CS-M0769 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-D0607 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.5 N[C@H]1CCCC[C@H]1N CS-M3552 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.5 O[C@H]1CCCC[C@H]1O CS-0059289 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.8 ClCCN1CCCC1 CS-D1148 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.11 CN1CCC[C@H]1CO CS-0030792 [1,0,0,1,0,0|1,0,0]=3 65 B8R1.4 CC1CNCC(C)C1 CS-W011255 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 CS-0001868 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [1,0,0,1,0,0|1,0,1]=4 68 B8R1.72 CC1(C)CCNCC1 CS-W005691 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.72 CC1(N)CCCCC1 CS-0037804 [1,0,0,1,0,0|1,0,0]=3 70 B8R1.72 CC1(O)CCCCC1 CS-W013634 [1,0,0,1,0,0|0,0,0]=2 71 B8R1.72 CC1(O)CCNCC1 CS-M0531 [1,0,0,1,0,0|1,0,0]=3 72 B8R1.72 CC1(O)CCNCC1 CS-W004838 [1,0,0,1,0,0|1,0,0]=3 73 B10R1.13 CC(C)C1CCC(=O)CC1 CS-W011030 [0,1,0,1,0,0|1,0,1]=4 74 B10R1.13 CC(C)N1CCC(O)CC1 CS-W019184 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.13 CC1CCC(C(=O)O)CC1 CS-0096911 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.13 CN(C)C1CCC(N)CC1 CS-W022915 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.18 O=C(O)CC1CCCCC1 CS-W019439 [0,1,0,1,0,0|1,0,1]=4 78 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N CS-W018664 [0,1,0,1,0,0|2,0,0]=4 79 B10R1.66 O=C(O)CCC1CCCC1 CS-W018280 [0,1,0,1,0,0|1,0,1]=4 80 B10R1.66 O=C(O)CCN1CCCC1 CS-0035766 [0,1,0,1,0,0|1,0,1]=4 81 B10R1.78 O=C1CCCCCCCN1 CS-0090258 [0,1,0,1,0,0|0,0,2]=4 82 B10R1.15 COC(=O)C1CCCCC1 CS-W007704 [0,1,0,1,0,0|0,0,2]=4 83 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W016417 [0,1,0,1,0,0|1,0,1]=4 84 B10R1.204 N[C@@H](CC1CCC1)C(=O)O CS-D0035 [0,1,0,1,0,0|1,0,1]=4 85 B10R1.363 NC1(C(=O)O)CCCCC1 CS-W016418 [0,1,0,1,0,0|1,0,1]=4 86 B10R1.138 CCCC(=O)OC[C@H]1CO1 CS-D1790 [0,1,0,1,0,0|1,0,1]=4 87 B10R1.140 CCOC(=O)C1CC(O)C1 CS-0044007 [0,1,0,1,0,0|1,0,1]=4 88 B10R2.62 N[C@@H]1CN2CCC1CC2 CS-M1833 [0,0,0,2,0,0|2,0,0]=4 89 B10R2.62 N[C@H]1CN2CCC1CC2 CS-0001448 [0,0,0,2,0,0|2,0,0]=4 90 B10R2.62 N[C@H]1CN2CCC1CC2 CS-D0599 [0,0,0,2,0,0|2,0,0]=4