0 B8R0.7 CCCC\C=C\C(=O)O CS-0161412 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.7 COCCOCC(=O)O CS-0527874 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.7 NCCCNCC(=O)O CS-0119868 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.7 NCCOCCC(=O)O CS-0114519 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 C#CCCCCCN CS-0864774 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.1 C=CCCCCCO CS-0185704 [1,0,0,0,0,0|0,0,2]=3 6 B7R0.1 COCCOCCO CS-0116091 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.1 OCCSSCCO CS-0113483 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.4 C=CCCC[C@H](C)O CS-1049849 [1,0,0,0,0,0|0,0,2]=3 9 B7R0.4 CC(=O)CCCCO CS-0514254 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 CCCCCC(N)=O CS-0128758 [1,0,0,0,0,0|1,0,2]=4 11 B9R0.1 COC(=O)CCCC(C)Br CS-0884141 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.2 CC(=O)OCCCCCCl CS-0154996 [0,1,0,0,0,0|1,0,2]=4 13 B9R0.4 NCCC[C@H](N)CC(=O)O CS-0539406 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.38 CCCCCCP(=O)(O)O CS-0313519 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.47 [C@H](N)(CCCCN)C(=O)O CS-W015322 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.48 CCC[C@@H](C)CCC(=O)O CS-0979123 [0,1,0,0,0,0|1,0,1]=3 17 B9R0.48 COCC(C)OCC(C)O CS-0899795 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.2 CC1CNCC(CO)O1 CS-0147341 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.2 CCC1CC(=O)CCN1 CS-0443395 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.2 CN[C@H]1CCCN(C)C1 CS-0101868 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.2 CO[C@H]1CCC[C@@H](N)C1 CS-0128615 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.6 CC(=O)C1CCCCO1 CS-0863898 [0,0,0,1,0,0|1,0,2]=4 23 B9R1.6 CC(=O)C1CCCOC1 CS-0308732 [0,0,0,1,0,0|1,0,2]=4 24 B9R1.6 CC(C)N1CCNCC1 CS-W013460 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.6 C[C@@H](N)C1CCCCC1 CS-0136581 [0,0,0,1,0,0|1,0,0]=2 26 B9R1.6 C[C@H](N)C1CCCCC1 CS-0343285 [0,0,0,1,0,0|1,0,0]=2 27 B9R1.13 C[C@@H](N)CC1CCCC1 CS-0904354 [0,0,0,1,0,0|1,0,0]=2 28 B9R1.13 C[C@H](O)CN1CCCC1 CS-0475737 [0,0,0,1,0,0|1,0,0]=2 29 B9R1.13 FC(F)C[C@@H]1CCNC1 CS-0623161 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.13 FC(F)C[C@H]1CCNC1 CS-0564412 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.40 CC1(C)COCCC1O CS-0161203 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.40 C[C@@H]1CNCCC1(F)F CS-0496677 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.40 C[C@H]1CNCCC1(F)F CS-1012249 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.40 N[C@@H]1CCCCC1(F)F CS-0053639 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.40 N[C@H]1CCCCC1(F)F CS-0053587 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.48 O=C1CC(O)CCCN1 CS-0568375 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.50 OC1CCC=CCCC1 CS-0116034 [0,0,0,1,0,0|0,0,2]=3 38 B9R1.50 OC1CCCCCCC1 CS-0204887 [0,0,0,1,0,0|0,0,0]=1 39 B9R1.84 O=C(O)CCN1CCC1 CS-W020473 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.96 CN(C)[C@H]1CC[C@H]1CO CS-0044844 [0,0,0,1,0,0|3,0,0]=4 41 B6R0.6 CCCCCCO CS-0076046 [2,0,0,0,0,0|0,0,0]=2 42 B6R0.4 CC(C)CCCN CS-0252871 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.4 CNCCC(C)O CS-0459922 [2,0,0,0,0,0|1,0,0]=3 44 B6R0.4 CSCCC(C)O CS-0242060 [2,0,0,0,0,0|1,0,0]=3 45 B8R0.1 CCCC[C@H](N)CCO CS-0063111 [1,1,0,0,0,0|0,0,0]=2 46 B8R0.1 CCOC(=O)CCCO CS-0539430 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.4 C#CCCCCCCC CS-0204456 [1,1,0,0,0,0|0,0,1]=3 48 B8R0.4 C#CCCCCCCN CS-0110134 [1,1,0,0,0,0|0,0,2]=4 49 B8R0.4 C=CCCCCCCCl CS-0158000 [1,1,0,0,0,0|0,0,2]=4 50 B8R0.4 CC\C=C/CCCCO CS-0153943 [1,1,0,0,0,0|0,0,1]=3 51 B8R0.4 COCCOCCON CS-0114359 [1,1,0,0,0,0|2,0,0]=4 52 B8R0.4 NCCCNCCCCl CS-0885982 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.6 OCCCCC(O)CO CS-W013379 [1,1,0,0,0,0|1,0,0]=3 54 B8R0.5 CCOC(=O)C[C@@H](C)O CS-D1461 [1,1,0,0,0,0|1,0,1]=4 55 B10R0.4 C=CCCCCCC[C@@H](C)O CS-0047325 [0,2,0,0,0,0|0,0,0]=2 56 B10R0.4 CC(C)CCCCCCCO CS-0504294 [0,2,0,0,0,0|1,0,0]=3 57 B10R0.4 CC(C)CCCCCCCO CS-0647834 [0,2,0,0,0,0|1,0,0]=3 58 B10R0.6 CCCCCC(O)CC(=O)O CS-0059460 [0,2,0,0,0,0|1,0,1]=4 59 B10R0.6 CCCCC[C@H](O)CC(=O)O CS-0162037 [0,2,0,0,0,0|1,0,1]=4 60 B10R0.97 CC(C)CCCCCC(=O)O CS-0265355 [0,2,0,0,0,0|1,0,1]=4 61 B10R0.62 CCCCCCC(C)(C)CO CS-0627148 [0,2,0,0,0,0|0,0,0]=2 62 B10R0.62 CCCCCCS(=O)(=O)O[Na] CS-0148403 [0,2,0,0,0,0|2,0,0]=4 63 B10R0.108 CCCC(=O)OCC(O)CO CS-0331773 [0,2,0,0,0,0|1,0,1]=4 64 B8R1.2 CCC1CNCCO1 CS-0184012 [1,0,0,1,0,0|1,0,0]=3 65 B8R1.2 CC[C@@H]1CNCCN1 CS-M3408 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.2 CC[C@H]1CNCCN1 CS-W023213 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.2 CC[C@H]1COCCN1 CS-0146947 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.2 FC[C@@H]1CNCCO1 CS-0566523 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.2 FC[C@H]1CCCNC1 CS-0435451 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.2 FC[C@H]1CNCCO1 CS-0566313 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.2 NC[C@@H]1CCCNC1 CS-0169043 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.2 NC[C@H]1CCCNC1 CS-0169042 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.2 NC[C@H]1CCCNC1 CS-0173371 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.2 OC[C@@H]1CNCCO1 CS-0020036 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.5 CC1CCCCC1=O CS-W011265 [1,0,0,1,0,0|0,0,2]=4 76 B8R1.5 O[C@@H]1CCNC[C@H]1F CS-0368740 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.5 O[C@@H]1CNCC[C@@H]1F CS-0502796 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.8 COC[C@H]1CCNC1 CS-0053272 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.8 COC[C@H]1CCNC1 CS-0054797 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.8 NNCC1CCCC1 CS-0049621 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.8 OCCN1CCCC1 CS-W011235 [1,0,0,1,0,0|1,0,0]=3 82 B8R1.10 COCCC1CNC1 CS-0238278 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.11 CO[C@@H]1CCC[C@H]1N CS-0183718 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.11 CO[C@@H]1CCC[C@H]1N CS-0737895 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.11 NCC1CCCC1O CS-0260689 [1,0,0,1,0,0|1,0,0]=3 86 B8R1.11 NCC1CCCC1O CS-0459964 [1,0,0,1,0,0|1,0,0]=3 87 B8R1.11 NC[C@H]1COC[C@@H]1O CS-0054588 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.11 N[C@H]1COC[C@H]1CO CS-0613627 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.13 COC[C@H]1CC[C@@H]1N CS-0433333 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.13 COC[C@H]1CC[C@H]1N CS-0184248 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.1 CCC1CCC(=O)O1 CS-W016608 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.1 CO[C@H]1CC[C@H](N)C1 CS-0613346 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.4 CC1CC(O)CCO1 CS-0051835 [1,0,0,1,0,0|1,0,0]=3 94 B8R1.4 C[C@@H]1CCC[C@H](N)C1 CS-0309584 [1,0,0,1,0,0|1,0,0]=3 95 B8R1.4 C[C@@H]1C[C@H](O)CCO1 CS-0472514 [1,0,0,1,0,0|1,0,0]=3 96 B8R1.4 C[C@H]1CNC[C@H](C)N1 CS-0001867 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.4 N[C@H]1CCC[C@@H](O)C1 CS-0042346 [1,0,0,1,0,0|1,0,0]=3 98 B8R1.6 COCC1CC(N)C1 CS-0051675 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.7 CC(N)C1CCOC1 CS-0486993 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.7 CC(O)C1CCNC1 CS-0033515 [1,0,0,1,0,0|1,0,0]=3 101 B8R1.7 C[C@@H](N)C1CCCC1 CS-0135387 [1,0,0,1,0,0|1,0,0]=3 102 B8R1.72 CC1(O)CC=CCC1 CS-0998568 [1,0,0,1,0,0|0,0,2]=4 103 B10R1.13 CN(C)[C@H]1CC[C@H](O)CC1 CS-0149003 [0,1,0,1,0,0|2,0,0]=4 104 B10R1.54 CC1CCC(CC(=O)O)C1 CS-0524638 [0,1,0,1,0,0|1,0,1]=4 105 B10R1.171 CC1(C)CNCC(CO)O1 CS-0199574 [0,1,0,1,0,0|2,0,0]=4 106 B10R1.171 OCC1CCCC(F)(F)C1 CS-0504722 [0,1,0,1,0,0|2,0,0]=4 107 B10R1.10 NC1CCCN(CCO)C1 CS-0619207 [0,1,0,1,0,0|2,0,0]=4 108 B10R1.18 CN(C)CC1CCCNC1 CS-0181023 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.18 O=C(O)CC1CCSCC1 CS-0046003 [0,1,0,1,0,0|1,0,1]=4 110 B10R1.61 CC(C)C1CCCCC1O CS-0070118 [0,1,0,1,0,0|1,0,0]=3 111 B10R1.61 CC(C)[C@H]1CNCCN1C CS-0629102 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.61 C[C@@H]1CNCC[C@@H]1C(=O)O CS-0502872 [0,1,0,1,0,0|1,0,1]=4 113 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CS-0130674 [0,1,0,1,0,0|1,0,1]=4 114 B10R1.64 CC1CCCC1CC(=O)O CS-0441552 [0,1,0,1,0,0|1,0,1]=4 115 B10R1.64 CC1OCCC1CC(=O)O CS-0882276 [0,1,0,1,0,0|1,0,1]=4 116 B10R1.348 O=C(O)C1CCCOCC1 CS-0136868 [0,1,0,1,0,0|1,0,1]=4 117 B10R1.28 CC(C)(O)C1CCCCN1 CS-0278407 [0,1,0,1,0,0|1,0,0]=3 118 B10R1.28 CC(C)(O)C1CCOCC1 CS-0242312 [0,1,0,1,0,0|1,0,0]=3 119 B10R1.28 CC(C)(O)C1CNCCO1 CS-0146151 [0,1,0,1,0,0|2,0,0]=4 120 B10R1.28 CC(C)(O)[C@@H]1CNCCN1 CS-0376288 [0,1,0,1,0,0|2,0,0]=4 121 B10R1.95 CC1(C)OC[C@H](CCO)O1 CS-0052112 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.1 CCOC1CCC(O)CC1 CS-0754423 [0,1,0,1,0,0|1,0,0]=3 123 B10R1.7 O[C@H]1CCCCCC[C@H]1O CS-0160249 [0,1,0,1,0,0|0,0,0]=2 124 B10R1.15 N#CC(O)C1CCCCC1 CS-0236842 [0,1,0,1,0,0|0,0,1]=3 125 B10R1.23 O=C(O)C(O)C1CCCC1 CS-0142968 [0,1,0,1,0,0|1,0,1]=4 126 B10R1.113 CC(C)N1CCCC(O)C1 CS-0316084 [0,1,0,1,0,0|1,0,0]=3 127 B10R1.262 CCO[C@@H]1C[C@H](N)C1(C)C CS-1100633 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.363 CC(C)C1(O)CCNCC1 CS-0453727 [0,1,0,1,0,0|2,0,0]=4 129 B10R2.62 NC1CC2CCC1CC2 CS-0146202 [0,0,0,2,0,0|1,0,0]=3 130 B10R2.71 F[C@H]1C[C@@H]2CC[C@H](C1)N2 CS-0049366 [0,0,0,2,0,0|2,0,0]=4 131 B10R2.32 [C@H]12CCCN1CC[C@@H]2N CS-0646639 [0,0,0,2,0,0|2,0,0]=4 132 B10R2.32 [C@H]12CC[C@@H](O)[C@H]1CNC2 CS-0029577 [0,0,0,2,0,0|1,0,0]=3 133 B10R2.332 FC1CCC2(CNC2)C1 CS-0055550 [0,0,0,2,0,0|2,0,0]=4 134 B10R2.337 OC1CN(C2COC2)C1 CS-0750709 [0,0,0,2,0,0|2,0,0]=4