0 B9R0.55 CC(=O)NCCCC(=O)O SC-46117 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.55 O=C(O)\C=C\CCC(=O)O SC-66378 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.7 C#CCCCCC(=O)O SC-20440 [1,0,0,0,0,0|1,0,1]=3 3 B8R0.7 C#CCOCCC(=O)O SC-A2263 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.7 CCCCOCC(=O)O SC-22619 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.7 COCCOCC(=O)O SC-89730 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.7 NCCCCCC(=O)O SC-10067 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.7 O=C(O)CCCCCBr SC-04420 [1,0,0,0,0,0|1,0,1]=3 8 B8R0.7 O=C(O)CCCCCO SC-17400 [1,0,0,0,0,0|0,0,1]=2 9 B8R0.7 O=C(O)CCOCCBr SC-A2260 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.7 O=C([O-])CCCCCO SC-82416 [1,0,0,0,0,0|0,0,2]=3 11 B10R0.55 COC(=O)CCCCC(=O)O SC-92413 [0,1,0,0,0,0|0,0,0]=1 12 B10R0.98 NC(CCCC(=O)O)C(=O)O SC-20484 [0,1,0,0,0,0|0,0,0]=1 13 B10R0.98 NC(CSCC(=O)O)C(=O)O SC-19245 [0,1,0,0,0,0|1,0,0]=2 14 B10R1.54 O=C(O)CC1CCC(=O)C1 SC-32553 [0,0,0,1,0,0|1,0,0]=2 15 B10R1.82 O=C(O)CCC1CC(=O)C1 SC-93096 [0,0,0,1,0,0|1,0,0]=2 16 B10R1.113 CN1CCCC(C(=O)O)C1 SC-53949 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.113 NC1CCCC(C(=O)O)C1 SC-15059 [0,0,0,1,0,0|2,0,1]=4 18 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 SC-48763 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 SC-48783 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 SC-68749 [0,0,0,1,0,0|2,0,1]=4 21 B10R1.113 O=C1CC(C(=O)O)CCN1 SC-95916 [0,0,0,1,0,0|2,0,0]=3 22 B10R1.113 O=C1CCCC(C(=O)O)C1 SC-47920 [0,0,0,1,0,0|1,0,0]=2 23 B10R1.113 O=C1CCCC(C(=O)O)N1 SC-49024 [0,0,0,1,0,0|1,0,0]=2 24 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 SC-22183 [0,0,0,1,0,0|1,0,0]=2 25 B10R1.113 O=C1CSCC(C(=O)O)N1 SC-84528 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.361 O=C(O)C1CCC1C(=O)O SC-A2849 [0,0,0,1,0,0|0,0,0]=1 27 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O SC-B7293 [0,0,0,1,0,0|0,0,0]=1 28 B8R0.28 O=C(O)CNCC(=O)O SC-79871 [0,0,0,0,1,0|1,0,0]=2 29 B8R0.28 O=C(O)COCC(=O)O SC-93218 [0,0,0,0,1,0|1,0,0]=2 30 B8R0.28 O=C(O)\C=C\CC(=O)O SC-37894 [0,0,0,0,1,0|0,0,2]=3 31 B10R0.97 O=C(O)CCCCCC(=O)O SC-16846 [0,0,0,0,0,1|0,0,0]=1 32 B7R0.1 O=CCCCCCO SC-94633 [2,0,0,0,0,0|0,0,1]=3 33 B7R0.4 C#CCCCC(=O)O SC-73017 [2,0,0,0,0,0|0,0,2]=4 34 B7R0.4 C=CCNCC(=O)O SC-74362 [2,0,0,0,0,0|1,0,1]=4 35 B7R0.4 C=CCOCC(=O)O SC-49027 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.4 CCCNCC(=O)O SC-97541 [2,0,0,0,0,0|1,0,1]=4 37 B7R0.4 CCCSCC(=O)O SC-45283 [2,0,0,0,0,0|1,0,1]=4 38 B7R0.4 CNCCCC(=O)O SC-49793 [2,0,0,0,0,0|1,0,1]=4 39 B7R0.4 CNCCCC(=O)O SC-A2900 [2,0,0,0,0,0|1,0,1]=4 40 B7R0.4 COCCCC(=O)O SC-51378 [2,0,0,0,0,0|1,0,1]=4 41 B7R0.4 C\C=C\CCC(=O)O SC-21245 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.4 NC(=O)CCCCBr SC-98143 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.4 NCCCCC(=O)O SC-10120 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.4 NCCCCC(=O)O SC-92391 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.4 NCCCCC(N)=O SC-94858 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.4 NCCCCC(N)=O SC-A4262 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.4 NCCNCC(=O)O SC-21750 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.4 O=C(Cl)CCCCBr SC-13447 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.4 O=C(Cl)CCCCCl SC-16009 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.4 O=C(O)CCCCBr SC-02338 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.4 O=C([O-])COCCO SC-A2671 [2,0,0,0,0,0|1,0,1]=4 52 B9R0.2 CCCCCCCC(=O)O SC-27437 [1,1,0,0,0,0|1,0,1]=4 53 B9R0.2 NCCCCCCC(=O)O SC-10087 [1,1,0,0,0,0|1,0,1]=4 54 B9R0.46 COC(=O)CCCCC=O SC-92554 [1,1,0,0,0,0|0,0,0]=2 55 B9R0.46 COC(=O)CCCCCBr SC-02787 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.46 COC(=O)CCCCCN SC-B3833 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.47 C=CCSCC(N)C(=O)O SC-10024 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.47 CCCCCC(N)C(=O)O SC-10084 [1,1,0,0,0,0|1,0,1]=4 59 B9R0.47 CCCCCC(N)C(=O)O SC-10085 [1,1,0,0,0,0|1,0,1]=4 60 B9R0.47 CCCCC[C@@H](N)C(=O)O SC-10086 [1,1,0,0,0,0|1,0,1]=4 61 B9R0.47 NCCCCC(N)C(=O)O SC-06113 [1,1,0,0,0,0|1,0,1]=4 62 B9R0.47 NCCCCC(N)C(=O)O SC-09672 [1,1,0,0,0,0|1,0,1]=4 63 B9R0.47 NCCCCC(N)C(=O)O SC-19760 [1,1,0,0,0,0|1,0,1]=4 64 B9R0.47 NCCCC[C@H](N)C(=O)O SC-09670 [1,1,0,0,0,0|1,0,1]=4 65 B9R0.47 NCCCC[C@H](N)C(=O)O SC-09674 [1,1,0,0,0,0|1,0,1]=4 66 B9R0.47 [C@@H](N)(CCCCN)C(=O)O SC-07335 [1,1,0,0,0,0|1,0,1]=4 67 B9R0.7 CC(=O)N(C)CCC(=O)O SC-21566 [0,1,0,0,1,0|2,0,0]=4 68 B9R0.7 CC(CCC(=O)Cl)C(=O)Cl SC-25336 [0,1,0,0,1,0|2,0,0]=4 69 B9R0.7 NC(=O)CCC(N)C(=O)O SC-09535 [0,1,0,0,1,0|1,0,0]=3 70 B9R0.7 NC(=O)SCC(N)C(=O)O SC-25048 [0,1,0,0,1,0|2,0,0]=4 71 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O SC-94352 [0,1,0,0,1,0|1,0,0]=3 72 B9R0.7 NC(CCC(=O)O)C(=O)O SC-05406 [0,1,0,0,1,0|0,0,0]=2 73 B9R0.7 NC(CCC(=O)O)C(=O)O SC-27100 [0,1,0,0,1,0|0,0,0]=2 74 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SC-09473 [0,1,0,0,1,0|0,0,0]=2 75 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] SC-20382 [0,1,0,0,1,0|0,0,2]=4 76 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] SC-88740 [0,1,0,0,1,0|0,0,2]=4 77 B9R0.7 [C@@H](N)(CCC(N)=O)C(=O)O SC-05605 [0,1,0,0,1,0|1,0,0]=3 78 B9R0.53 CC(CC(=O)O)CC(=O)O SC-15126 [0,1,0,0,1,0|0,0,0]=2 79 B9R0.53 CN(CC(=O)O)CC(=O)O SC-04506 [0,1,0,0,1,0|1,0,0]=3 80 B9R0.53 O=C(O)CC(=O)CC(=O)O SC-16413 [0,1,0,0,1,0|0,0,1]=3 81 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O SC-46452 [0,1,0,0,0,1|2,0,0]=4 82 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O SC-17242 [0,1,0,0,0,1|2,0,0]=4 83 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O SC-17244 [0,1,0,0,0,1|2,0,0]=4 84 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O SC-10122 [0,1,0,0,0,1|1,0,0]=3 85 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O SC-10123 [0,1,0,0,0,1|1,0,0]=3 86 B11R0.176 CCOC(=O)CCCCC(=O)[O-] SC-74672 [0,2,0,0,0,0|0,0,1]=3 87 B11R0.176 CCOC(=O)CCCOC(C)=O SC-93584 [0,2,0,0,0,0|2,0,0]=4 88 B11R0.150 CC(=O)C(O)CCC(O)C(C)=O SC-18553 [0,2,0,0,0,0|2,0,0]=4 89 B9R1.2 O=C1CCCC(CO)N1 SC-21439 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.6 O=C(O)C1CC=CCC1 SC-19459 [1,0,0,1,0,0|1,0,1]=4 91 B9R1.6 O=C(O)C1CCCCC1 SC-22688 [1,0,0,1,0,0|1,0,1]=4 92 B9R1.6 O=C(O)C1CCCCN1 SC-03317 [1,0,0,1,0,0|1,0,1]=4 93 B9R1.6 O=C(O)C1CCCCN1 SC-04307 [1,0,0,1,0,0|1,0,1]=4 94 B9R1.6 O=C(O)C1CCCCN1 SC-05144 [1,0,0,1,0,0|1,0,1]=4 95 B9R1.6 O=C(O)C1CCCCO1 SC-27357 [1,0,0,1,0,0|0,0,1]=3 96 B9R1.6 O=C(O)C1CCCOC1 SC-49188 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.6 O=C(O)C1CNCCO1 SC-27398 [1,0,0,1,0,0|1,0,1]=4 98 B9R1.6 O=C(O)[C@@H]1CC=CCC1 SC-92067 [1,0,0,1,0,0|1,0,1]=4 99 B9R1.6 O=C(O)[C@H]1CC=CCC1 SC-65686 [1,0,0,1,0,0|1,0,1]=4 100 B9R1.6 O=C(O)[C@H]1CCCCN1 SC-01680 [1,0,0,1,0,0|1,0,1]=4 101 B9R1.6 [C@@H]1(C(=O)O)CCCNC1 SC-02884 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.13 O=C(O)CC1CCCN1 SC-49134 [1,0,0,1,0,0|1,0,1]=4 103 B9R1.13 O=C(O)CC1CCCN1 SC-70978 [1,0,0,1,0,0|1,0,1]=4 104 B9R1.13 O=C(O)CC1CCNC1 SC-53663 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.13 O=C(O)C[C@@H]1CCCN1 SC-86132 [1,0,0,1,0,0|1,0,1]=4 106 B9R1.41 CN1CCC[C@H]1C(=O)O SC-21471 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.41 NC1CCCC1C(=O)O SC-A3650 [1,0,0,1,0,0|1,0,1]=4 108 B9R1.48 O=C1CCCCC(=O)C1 SC-14500 [1,0,0,1,0,0|1,0,0]=3 109 B9R1.48 O=C1CCCCC(=O)O1 SC-92931 [1,0,0,1,0,0|0,0,0]=2 110 B9R1.84 O=C(O)CCC1CCC1 SC-30968 [1,0,0,1,0,0|1,0,1]=4 111 B9R1.35 O=C(O)C1CCC(O)C1 SC-48116 [0,0,0,1,1,0|1,0,1]=4 112 B9R1.35 O=C1CCC(C(=O)O)C1 SC-28724 [0,0,0,1,1,0|1,0,0]=3 113 B9R1.35 O=C1CCC(C(=O)O)N1 SC-01249 [0,0,0,1,1,0|1,0,0]=3 114 B9R1.35 O=C1CCC(C(=O)O)O1 SC-93768 [0,0,0,1,1,0|0,0,0]=2 115 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SC-07520 [0,0,0,1,1,0|1,0,0]=3 116 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-52091 [0,0,0,1,1,0|2,0,0]=4 117 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 SC-51331 [0,0,0,1,1,0|2,0,0]=4 118 B9R1.35 O=C1NCC(C(=O)O)O1 SC-99665 [0,0,0,1,1,0|1,0,0]=3 119 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)O1 SC-47439 [0,0,0,1,1,0|0,0,0]=2 120 B9R1.35 [C@H]1(C(=O)O)CCC(=O)N1 SC-04305 [0,0,0,1,1,0|1,0,0]=3 121 B9R1.35 [C@H]1(C(=O)O)CCC(=O)O1 SC-08888 [0,0,0,1,1,0|0,0,0]=2 122 B11R1.157 O=C(O)CN1CCCC(=O)C1 SC-45489 [0,0,0,1,0,1|1,0,0]=3 123 B11R1.178 CC(=O)N1CCCC1C(=O)O SC-42033 [0,0,0,1,0,1|1,0,0]=3 124 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O SC-06276 [0,0,0,1,0,1|1,0,0]=3 125 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O SC-47892 [0,0,0,1,0,1|0,0,0]=2 126 B11R1.20 O=C(O)CC1CCC(=O)CC1 SC-52908 [0,1,0,1,0,0|1,0,0]=3 127 B11R1.20 O=C(O)CC1CCC(O)CC1 SC-49645 [0,1,0,1,0,0|1,0,1]=4 128 B11R1.23 COC(=O)C1=CC(=O)CCC1 SC-34228 [0,1,0,1,0,0|1,0,1]=4 129 B11R1.23 COC(=O)C1CCCC(=O)C1 SC-29708 [0,1,0,1,0,0|1,0,0]=3 130 B11R1.23 COC(=O)C1CCCC(=O)N1 SC-49227 [0,1,0,1,0,0|1,0,0]=3 131 B11R1.23 COC(=O)C1CCCC(=O)N1 SC-70288 [0,1,0,1,0,0|1,0,0]=3 132 B11R1.39 COC(=O)CC1CCC(=O)C1 SC-34381 [0,1,0,1,0,0|1,0,0]=3 133 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 SC-04127 [0,1,0,1,0,0|0,0,0]=2 134 B11R2.139 C12CC(=O)CC1CC(=O)C2 SC-A4008 [0,0,0,2,0,0|2,0,0]=4 135 B7R0.6 O=C(O)C#CC(=O)O SC-18919 [0,0,0,0,2,0|0,0,2]=4 136 B7R0.6 O=C(O)CCC(=O)O SC-47173 [0,0,0,0,2,0|0,0,0]=2 137 B11R0.30 O=C(O)CCSSCCC(=O)O SC-65371 [0,0,0,0,0,2|0,0,0]=2