0 B9R0.2 CC(=O)OCCCCCCl 3676 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.2 CC(C)CCCCCCBr 18956 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.2 CCCCCCCC(=O)[O-] 12870 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.2 C\C=C\C=C\COC(C)=O 13748 [0,0,0,0,0,0|0,0,4]=4 4 B8R0.4 C#CCCCCCCC 13060 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.4 CCCCCCCCI 3959 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.7 CC(=O)OCCCCCl 13100 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.7 CCCCCCB(O)O 29486 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.7 CCCCCCC(C)=O 26418 [1,0,0,0,0,0|0,0,0]=1 9 B8R0.7 CCCCCCC(C)O 21480 [1,0,0,0,0,0|0,0,2]=3 10 B8R0.7 CCCCCC[C@@H](C)N 6754 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.7 CCCCCC[C@@H](C)O 6072 [1,0,0,0,0,0|0,0,2]=3 12 B8R0.7 CCCCCC[C@H](C)N 6748 [1,0,0,0,0,0|1,0,1]=3 13 B8R0.7 CCCCCC[C@H](C)O 17259 [1,0,0,0,0,0|0,0,2]=3 14 B8R0.7 CCCCCC[C@H](C)O 6073 [1,0,0,0,0,0|0,0,2]=3 15 B8R0.7 COCCOCC(=O)Cl 36078 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.7 COCCOCC(=O)O 31986 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.7 NCCCCCC(=O)O 35821 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.7 O=C(O)CCCCCBr 3777 [1,0,0,0,0,0|2,0,0]=3 19 B10R0.3 CC(C)=CCCC(C)CCO 35065 [0,1,0,0,0,0|3,0,0]=4 20 B10R0.3 CCOC(=O)CCCC(C)=O 27277 [0,1,0,0,0,0|2,0,1]=4 21 B10R0.4 C=CCCCCCCC(=O)O 27146 [0,1,0,0,0,0|2,0,1]=4 22 B10R0.4 CCCCCCCCN(C)C 35306 [0,1,0,0,0,0|3,0,0]=4 23 B10R0.4 NCCCCCCCC(=O)O 13165 [0,1,0,0,0,0|2,0,0]=3 24 B10R0.4 NCCOCCOCC(=O)O 33692 [0,1,0,0,0,0|3,0,0]=4 25 B10R0.6 NCCCC[C@H](N)CC(=O)O 30079 [0,1,0,0,0,0|3,0,0]=4 26 B10R0.22 CCCCCCCS(=O)(=O)[O-] 25500 [0,1,0,0,0,0|3,0,0]=4 27 B10R0.74 CCCCCC#CC(=O)OC 45055 [0,1,0,0,0,0|1,0,1]=3 28 B10R0.75 CNCCCCC(N)C(=O)O 27554 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.18 CC(=O)NC1CCNCC1 9227 [0,0,0,1,0,0|2,0,0]=3 30 B10R1.18 CC(=O)OC1CCNCC1 35466 [0,0,0,1,0,0|1,0,0]=2 31 B10R1.18 O=C(O)CC1CCNCC1 30432 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.18 O=C(O)CC1CCOCC1 9729 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.61 CC(=O)N1CCCCC1=O 23360 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.61 CN1CCCCC1C(=O)O 8006 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.66 O=C(Cl)CCC1CCCC1 21363 [0,0,0,1,0,0|2,0,0]=3 36 B7R0.1 C#CCCCCCC 13059 [2,0,0,0,0,0|0,0,2]=4 37 B7R0.1 C=CCCCCCBr 26398 [2,0,0,0,0,0|1,0,1]=4 38 B7R0.1 C=CCCCCCCl 25249 [2,0,0,0,0,0|1,0,1]=4 39 B7R0.1 CCCCCCCBr 3775 [2,0,0,0,0,0|1,0,1]=4 40 B7R0.1 CCCCCCCI 3944 [2,0,0,0,0,0|1,0,1]=4 41 B7R0.1 CCOCCCCCl 1933 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.1 O=CCCCCC=O 21301 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.4 CC(=O)CCCCCl 29051 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.4 CCCCCC(=O)Cl 21359 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.4 CCCCCC(C)O 3094 [2,0,0,0,0,0|0,0,2]=4 46 B7R0.4 CCCCC[C@@H](C)O 6739 [2,0,0,0,0,0|0,0,2]=4 47 B7R0.4 CCCCC[C@H](C)O 6736 [2,0,0,0,0,0|0,0,2]=4 48 B7R0.4 CCC\C=C\C(C)=O 18920 [2,0,0,0,0,0|0,0,2]=4 49 B7R0.4 COCCOC(=O)Cl 12774 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.4 NCCCCC(=O)O 18964 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.4 NCCCCC(=O)O 31880 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.4 O=C(Cl)CCCCBr 36169 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.4 O=C(Cl)CCCCCl 10919 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.4 O=C(O)CCCCBr 3843 [2,0,0,0,0,0|2,0,0]=4 55 B9R0.5 CCCCCC(=O)OCC 15737 [1,1,0,0,0,0|0,0,2]=4 56 B9R0.45 CCCCCCC#CCO 13067 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.45 CCCCCCCCCBr 3809 [1,1,0,0,0,0|1,0,1]=4 58 B9R0.45 CCCCCCCCCI 3958 [1,1,0,0,0,0|1,0,1]=4 59 B9R0.4 CSCC[C@H](N)CC(=O)O 30081 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.38 CCCCCCS(=O)(=O)[O-] 25499 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.47 NCCCCC(N)C(=O)O 12390 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.47 NCCCCC(N)C(=O)O 12448 [1,1,0,0,0,0|2,0,0]=4 63 B9R0.47 NCCCC[C@@H](N)C(=O)O 13028 [1,1,0,0,0,0|2,0,0]=4 64 B9R0.47 NCCCC[C@@H](N)C(=O)O 17982 [1,1,0,0,0,0|2,0,0]=4 65 B9R0.47 NCCCC[C@@H](N)C(=O)O 6286 [1,1,0,0,0,0|2,0,0]=4 66 B9R0.47 NCCCC[C@@H](N)C(N)=O 35109 [1,1,0,0,0,0|2,0,0]=4 67 B9R0.47 NCCCC[C@H](N)C(=O)O 23203 [1,1,0,0,0,0|2,0,0]=4 68 B9R0.47 NCCCC[C@H](N)C(=O)O 36140 [1,1,0,0,0,0|2,0,0]=4 69 B9R0.47 NCCCC[C@H](N)C(=O)O 36361 [1,1,0,0,0,0|2,0,0]=4 70 B9R0.47 NCCCC[C@H](N)C(=O)O 7967 [1,1,0,0,0,0|2,0,0]=4 71 B9R0.47 N[C@@H](CCCCO)C(=O)O 29947 [1,1,0,0,0,0|2,0,0]=4 72 B9R0.48 CCOC(=O)CCC(C)=O 11220 [1,1,0,0,0,0|1,0,1]=4 73 B11R0.147 CCCCC(O)CCCC(=O)O 9714 [0,2,0,0,0,0|2,0,0]=4 74 B11R0.30 CC(=O)OCCOCOC(C)=O 20686 [0,2,0,0,0,0|1,0,1]=4 75 B11R0.30 CC(=O)OCCOCOC(C)=O 44793 [0,2,0,0,0,0|1,0,1]=4 76 B11R0.46 CCCCOC(=O)CCC(C)=O 11224 [0,2,0,0,0,0|1,0,1]=4 77 B11R0.148 CCCCCCCCCC(=O)[O-] 29720 [0,2,0,0,0,0|2,0,0]=4 78 B11R0.148 COCCOCCOCC(=O)O 31987 [0,2,0,0,0,0|2,0,0]=4 79 B9R1.5 CN1CCCCCC1=O 36383 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.5 NC1CCCCNC1=O 20137 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.5 N[C@@H]1CCCCNC1=O 30434 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.5 N[C@H]1CCCCNC1=O 14097 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.8 BrCCC1CCOCC1 16818 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.8 CCCC1CCNCC1 2452 [1,0,0,1,0,0|1,0,1]=4 85 B9R1.8 CCCC1CCNCC1 2489 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.8 CCOC1CCCNC1 31884 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.8 CCOC1CCNCC1 9355 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.8 NCCC1CCOCC1 9727 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.8 NCCC1CCOCC1 9732 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.15 CCC1CCCOC1=O 26311 [1,0,0,1,0,0|0,0,0]=2 91 B9R1.15 O=C1CCCCC1CO 20380 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.33 CCCN1CCCC1=O 9160 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.89 O=CC1CCCCCC1 16219 [1,0,0,1,0,0|1,0,0]=3 94 B9R1.6 CC(=O)C1CCNCC1 23348 [1,0,0,1,0,0|1,0,0]=3 95 B9R1.6 CC(=O)C1CCOCC1 23581 [1,0,0,1,0,0|1,0,0]=3 96 B9R1.6 CC(=O)N1CCCCC1 7729 [1,0,0,1,0,0|1,0,0]=3 97 B9R1.6 CC(=O)N1CCNCC1 8565 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.6 CC(=O)N1CCOCC1 35160 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.6 NC(=O)C1CCCCN1 11795 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.6 NC(=O)C1CCCNC1 11797 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.6 NC(=O)C1CCNCC1 9754 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.6 NC(=O)C1CCOCC1 9735 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.6 O=C(Cl)C1CCCCC1 35229 [1,0,0,1,0,0|1,0,0]=3 104 B9R1.6 O=C(Cl)C1CCOCC1 12437 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.6 O=C(O)C1CCCCC1 10570 [1,0,0,1,0,0|1,0,0]=3 106 B9R1.6 O=C(O)C1CCCCN1 7628 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.6 O=C(O)C1CCCCN1 7717 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.6 O=C(O)C1CCCCO1 19589 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.6 O=C(O)C1CCCNC1 6793 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.6 O=C(O)C1CCCOC1 19540 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.6 O=C(O)C1CCNCC1 7718 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.6 O=C(O)C1CCOCC1 9730 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.6 O=C(O)N1CCCCC1 6791 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.6 O=C(O)[C@@H]1CCCCN1 5567 [1,0,0,1,0,0|2,0,0]=4 115 B9R1.6 O=C(O)[C@@H]1CCCNC1 5658 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.6 O=C(O)[C@H]1CCCCN1 5635 [1,0,0,1,0,0|2,0,0]=4 117 B9R1.6 O=C(O)[C@H]1CCCNC1 5657 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.13 O=C(Cl)OC1CCCC1 25250 [1,0,0,1,0,0|1,0,0]=3 119 B9R1.13 O=C(O)CC1CCCO1 15380 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.13 O=C(O)C[C@@H]1CCCN1 15697 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 23256 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 19520 [1,0,0,1,0,0|2,0,0]=4 123 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 23258 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 23259 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 27193 [1,0,0,1,0,0|2,0,0]=4 126 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 23257 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.48 O=C1CCCCC(=O)C1 20261 [1,0,0,1,0,0|1,0,1]=4 128 B11R1.172 O=C(O)CCCN1CCCC1 23548 [0,1,0,1,0,0|2,0,0]=4 129 B11R1.91 CC(=O)CCN1CCOCC1 15916 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.91 CC(=O)\C=C\N1CCCCC1 13810 [0,1,0,1,0,0|1,0,1]=4 131 B11R1.91 O=C(O)CCC1CCCCC1 20248 [0,1,0,1,0,0|2,0,0]=4 132 B11R1.91 O=C(O)CCC1CCNCC1 19136 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O 23253 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.193 COC[C@@H]1CCCN1C(N)=O 24403 [0,1,0,1,0,0|2,0,0]=4 135 B11R1.742 O=C(O)CC1CCCCCC1 16200 [0,1,0,1,0,0|2,0,0]=4 136 B11R1.20 CC(=O)NC1CCC(=O)CC1 16424 [0,1,0,1,0,0|1,0,1]=4 137 B11R1.20 CC(=O)OC1CCC(O)CC1 24998 [0,1,0,1,0,0|0,0,0]=2 138 B11R1.40 COC(=O)CC1CCCCC1 20243 [0,1,0,1,0,0|1,0,0]=3 139 B11R1.40 COC(=O)CC1CCCNC1 11376 [0,1,0,1,0,0|2,0,0]=4 140 B11R1.40 COC(=O)CC1CCNCC1 14078 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.40 COC(=O)CC1CCNCC1 14079 [0,1,0,1,0,0|2,0,0]=4 142 B11R1.40 COC(=O)C[C@@H]1CCCNC1 11381 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.40 COC(=O)C[C@H]1CCCNC1 11385 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 12312 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 19352 [0,1,0,1,0,0|2,0,0]=4 146 B11R1.234 CC(=O)OC1OCCC1(Cl)Cl 6965 [0,1,0,1,0,0|2,0,0]=4 147 B11R2.1 O=C1CCC2CNCCN12 16147 [0,0,0,2,0,0|2,0,0]=4 148 B11R2.433 O=C1CN2CCC(CC2)N1 18336 [0,0,0,2,0,0|2,0,0]=4 149 B11R2.845 O=C(O)C1CC2CCC1C2 34357 [0,0,0,2,0,0|2,0,0]=4 150 B11R2.432 CN1[C@H]2CC[C@@H]1CC(=O)C2 5791 [0,0,0,2,0,0|2,0,0]=4