0 B8R0.6 C#CC(O)CCCCC X7103 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.6 C#CC(O)CCCCC X7104 [0,0,0,0,0,0|0,0,4]=4 2 B8R0.6 CCCCCC(=O)CC 6144AL [0,0,0,0,0,0|0,0,2]=2 3 B8R0.6 CCCCCC(=O)NN 8224AD [0,0,0,0,0,0|2,0,0]=2 4 B8R0.6 CCCCNC(=O)CC 8516AL [0,0,0,0,0,0|1,0,2]=3 5 B8R0.6 CCCCOC(=S)S[K] 1162AF [0,0,0,0,0,0|3,1,0]=4 6 B8R0.6 CCC\C=C\C(=O)OC 6957AJ [0,0,0,0,0,0|1,0,3]=4 7 B8R0.6 COC(=O)CCCCN 3063AB [0,0,0,0,0,0|2,0,1]=3 8 B8R0.6 COC(=O)COCCCl 2910AC [0,0,0,0,0,0|3,0,1]=4 9 B8R0.6 COCCOC(=O)CCl 7354AL [0,0,0,0,0,0|3,0,1]=4 10 B7R0.1 C=CCSSCCC O398 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.1 CCCCCCOC 8052AL [1,0,0,0,0,0|1,0,2]=4 12 B7R0.1 CCCCCOC=O 7518AF [1,0,0,0,0,0|2,0,0]=3 13 B7R0.3 CCCCC(=O)CC 7786AF [1,0,0,0,0,0|0,0,2]=3 14 B7R0.3 CCCCC(=O)NN X5269 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.3 CCCNC(=O)CN V6930 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.3 CCCOC(=O)CBr U694 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.3 CCCOC(=O)CC 7524AF [1,0,0,0,0,0|1,0,2]=4 18 B7R0.3 COC(=O)CCCN 3563AL [1,0,0,0,0,0|2,0,1]=4 19 B7R0.3 NNC(=O)CCCO 2288AE [1,0,0,0,0,0|3,0,0]=4 20 B7R0.4 CC(=O)CCCCCl D718 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.4 CCCCSC(C)=O 3195AL [1,0,0,0,0,0|1,0,1]=3 22 B7R0.4 CCCOCC(=O)O 5344AE [1,0,0,0,0,0|2,0,0]=3 23 B7R0.4 CNCCCC(=O)O 2115AA [1,0,0,0,0,0|2,0,0]=3 24 B7R0.4 COCCCC(=O)O 2917AB [1,0,0,0,0,0|2,0,0]=3 25 B7R0.4 N#CCCCC(=O)O W5958 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.4 NC(=O)CSCCO 6778AD [1,0,0,0,0,0|3,0,0]=4 27 B7R0.4 NCCCCC(=O)O 9495AB [1,0,0,0,0,0|2,0,0]=3 28 B7R0.4 O=C(O)COCCCl Y5074 [1,0,0,0,0,0|3,0,0]=4 29 B9R0.5 C=COC(=O)CCCCC 7945AF [0,1,0,0,0,0|0,0,0]=1 30 B9R0.8 CCCCC(N)C(=O)OC V7712 [0,1,0,0,0,0|1,0,1]=3 31 B9R0.24 CCC(=O)CCC(=O)CC 3019AB [0,1,0,0,0,0|0,0,3]=4 32 B9R0.46 C=CC(=O)OCCN=C=O 5667AL [0,1,0,0,0,0|2,0,1]=4 33 B9R0.46 CCCCCCC(=O)NN 7657AD [0,1,0,0,0,0|2,0,0]=3 34 B9R0.46 COC(=O)CCCCCO 6266AB [0,1,0,0,0,0|1,0,1]=3 35 B9R0.47 C=C(C)C(=O)NCCCC 2777AB [0,1,0,0,0,0|1,0,0]=2 36 B9R0.47 C=C(C)C(=O)NCCCN W8119 [0,1,0,0,0,0|2,0,0]=3 37 B9R0.47 CCCCCC(N)C(=O)O 2079AA [0,1,0,0,0,0|2,0,1]=4 38 B9R0.47 CCCCC[C@@H](N)C(=O)O 6195AB [0,1,0,0,0,0|2,0,1]=4 39 B9R0.47 CCCCOC(=O)C(N)=O 8726AL [0,1,0,0,0,0|2,0,0]=3 40 B9R0.47 CCCCOC(=O)[C@H](C)N W5153 [0,1,0,0,0,0|1,0,2]=4 41 B9R0.47 FC(F)=C(F)CCCCBr 3409AD [0,1,0,0,0,0|3,0,0]=4 42 B9R1.1 COC1CCC(=O)CC1 X9889 [0,0,0,1,0,0|1,0,2]=4 43 B9R1.1 O=C1CCC(CO)CC1 Y8952 [0,0,0,1,0,0|1,0,2]=4 44 B9R1.5 CN1CCCNCC1=O W7308 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.5 NC1CCCCNC1=O W5198 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.5 N[C@@H]1CCCCNC1=O 2227AB [0,0,0,1,0,0|2,0,1]=4 47 B9R1.5 N[C@@H]1CCCCNC1=O W5158 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.5 N[C@H]1CCCCNC1=O V2119 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.7 CCOC1C=CC(=O)O1 2768AB [0,0,0,1,0,0|2,0,0]=3 50 B9R1.11 CNC(=O)[C@@H]1CCCN1 V5238 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.11 COC(=O)C1CCCN1 Z5141 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.11 COC(=O)C1CCOC1 3589AL [0,0,0,1,0,0|2,0,1]=4 53 B9R1.11 COC(=O)[C@@H]1CCNC1 W8977 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.11 COC(=O)[C@H]1CCNC1 X8929 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.11 O=C(CBr)N1CCCC1 2846AF [0,0,0,1,0,0|2,0,1]=4 56 B9R1.79 COC(=O)CC1CNC1 4200AJ [0,0,0,1,0,0|2,0,1]=4 57 B9R1.89 ON=C1CCCCCC1 7507AL [0,0,0,1,0,0|3,0,0]=4 58 B6R0.6 C=CCCCCCl X6224 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.6 C\C=C/CCCO 7448AL [2,0,0,0,0,0|1,0,1]=4 60 B6R0.1 C=CC(O)CCC I123 [2,0,0,0,0,0|0,0,2]=4 61 B6R0.4 CCCCC(=N)N 1867AA [2,0,0,0,0,0|2,0,0]=4 62 B6R0.4 CCCCC(=N)N 9567AA [2,0,0,0,0,0|2,0,0]=4 63 B6R0.4 CCCNC(N)=O P685 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.4 CCCOC(N)=O 9471AB [2,0,0,0,0,0|2,0,0]=4 65 B6R0.4 CCCSC(C)=O R568 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.4 CCNCC(=O)O X5133 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.4 CSCCC(C)=O L760 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.4 NC(=O)CCCCl Y1653 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.4 NCCCC(N)=O 5556AA [2,0,0,0,0,0|2,0,0]=4 70 B8R0.4 CC\C=C/CCCCO 7454AL [1,1,0,0,0,0|1,0,1]=4 71 B8R0.7 CCCCCCC(=O)[O-] 7832AL [1,1,0,0,0,0|1,0,1]=4 72 B8R0.7 CCCC\C=C\C(C)=O 6146AL [1,1,0,0,0,0|0,0,2]=4 73 B8R0.19 CC[C@H](O)CC(=O)OC 5880AB [1,1,0,0,0,0|1,0,1]=4 74 B8R0.28 CC(=O)CCCC(C)C 5697AC [1,1,0,0,0,0|0,0,1]=3 75 B10R0.1 CCCCCCC(=O)CCC 9409AB [0,2,0,0,0,0|0,0,2]=4 76 B10R0.1 CCCCCOC(=O)CCC 7746AB [0,2,0,0,0,0|0,0,2]=4 77 B10R0.83 CCCCCC(=O)N(C)OC 9830AB [0,2,0,0,0,0|1,0,1]=4 78 B10R0.91 CCCCCC(=O)OCCC 9028AJ [0,2,0,0,0,0|0,0,2]=4 79 B10R0.46 O=CC(=O)C[C@H](O)[C@H](O)CO 8056AJ [0,2,0,0,0,0|2,0,0]=4 80 B10R0.55 COC(=O)CCCCC(C)=O 0506AB [0,2,0,0,0,0|1,0,1]=4 81 B10R0.74 C=CC(O)CCCCCCC U552 [0,2,0,0,0,0|0,0,2]=4 82 B10R0.74 CCCCCCCC(=O)N[O-] 7323AL [0,2,0,0,0,0|2,0,0]=4 83 B10R0.74 COC(=O)CCCCCCBr W6840 [0,2,0,0,0,0|1,0,1]=4 84 B10R0.74 COC(=O)CCCCCCN W3908 [0,2,0,0,0,0|1,0,1]=4 85 B8R1.2 COC1CCC=CO1 5901AL [1,0,0,1,0,0|2,0,0]=4 86 B8R1.5 CC1CCCNC1=O Y8918 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.8 CCCN1C=CC=N1 Z0507 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.11 CCC1CCCC1=O 6742AB [1,0,0,1,0,0|1,0,1]=4 89 B8R1.22 O=C1C=CCCCC1 X8995 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.49 C1=CCCCCCC1 R645 [1,0,0,1,0,0|0,0,1]=3 91 B8R1.49 C1=CCCCCCC1 Z3117 [1,0,0,1,0,0|0,0,1]=3 92 B8R1.38 COC(=O)C1CCC1 9430AE [1,0,0,1,0,0|1,0,1]=4 93 B8R1.38 NNC(=O)C1CCC1 4590AF [1,0,0,1,0,0|2,0,0]=4 94 B8R1.50 CC1CCC(=O)C1=O 6795AA [1,0,0,1,0,0|1,0,0]=3 95 B8R1.4 CC1CC(=O)CCN1 6568AA [1,0,0,1,0,0|1,0,1]=4 96 B8R1.4 CC1CC(=O)CCO1 3309AA [1,0,0,1,0,0|1,0,1]=4 97 B8R1.7 N=C(N)C1CCCC1 0061AF [1,0,0,1,0,0|2,0,0]=4 98 B8R1.7 NC(=O)C1CCCO1 5362AC [1,0,0,1,0,0|2,0,0]=4 99 B8R1.7 NC(=O)C1CCNC1 9876AB [1,0,0,1,0,0|2,0,0]=4 100 B8R1.7 O=C(Cl)N1CCCC1 0711AQ [1,0,0,1,0,0|2,0,0]=4 101 B8R1.7 O=C(O)C1CCNC1 W9737 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.7 O=C(O)[C@@H]1CCNC1 1252AC [1,0,0,1,0,0|2,0,0]=4 103 B8R1.7 O=C(O)[C@H]1CCNC1 1251AC [1,0,0,1,0,0|2,0,0]=4 104 B8R1.7 O=C(O)[C@H]1CCNC1 X9011 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.34 O=C(O)CC1CCC1 W7672 [1,0,0,1,0,0|1,0,0]=3 106 B8R1.34 O=C(O)CC1COC1 3631AD [1,0,0,1,0,0|2,0,0]=4 107 B8R1.35 O=C(O)CCC1CC1 8214AB [1,0,0,1,0,0|1,0,0]=3 108 B10R1.13 CC(C)C1CCC(=O)CC1 7826AB [0,1,0,1,0,0|0,0,2]=4 109 B10R1.54 CC(C)CC1CNC(=O)C1 6680AE [0,1,0,1,0,0|1,0,1]=4 110 B10R1.153 COC(=O)CCNC1CC1 6994AJ [0,1,0,1,0,0|1,0,1]=4 111 B10R1.197 CCC1CCNC(=O)CC1 0938AE [0,1,0,1,0,0|0,0,2]=4 112 B10R1.21 CCCCCC1=CC=CO1 4832AB [0,1,0,1,0,0|0,0,1]=3 113 B10R1.21 CCCCCC1=CSC=C1 Z5434 [0,1,0,1,0,0|0,1,0]=3 114 B10R1.78 O=C1CCCCCCCC1 3914AB [0,1,0,1,0,0|0,0,2]=4 115 B10R1.137 CCOC(=O)CC1CCC1 4959AB [0,1,0,1,0,0|0,0,2]=4 116 B10R1.15 CCC(=O)C1CCCCC1 2177AA [0,1,0,1,0,0|0,0,2]=4 117 B10R1.15 CNC(=O)C1CCCCN1 2898AD [0,1,0,1,0,0|1,0,1]=4 118 B10R1.15 CNC(=O)C1CCNCC1 6412AD [0,1,0,1,0,0|1,0,1]=4 119 B10R1.15 COC(=O)C1CCCCN1 P494 [0,1,0,1,0,0|1,0,1]=4 120 B10R1.15 COC(=O)C1CCCOC1 W4041 [0,1,0,1,0,0|1,0,1]=4 121 B10R1.15 COC(=O)N1CCCCC1 3586AL [0,1,0,1,0,0|1,0,1]=4 122 B10R1.15 COC(=O)[C@@H]1CCCNC1 S981 [0,1,0,1,0,0|1,0,1]=4 123 B10R1.15 COC(=O)[C@H]1CCCCN1 W6258 [0,1,0,1,0,0|1,0,1]=4 124 B10R1.15 COC(=O)[C@H]1CCCNC1 W3583 [0,1,0,1,0,0|1,0,1]=4 125 B10R1.15 COC(=O)[C@H]1CCCNC1 W5068 [0,1,0,1,0,0|1,0,1]=4 126 B10R1.15 NCC(=O)N1CCCCC1 5310AE [0,1,0,1,0,0|1,0,1]=4 127 B10R1.15 NOC(=O)C1CCOCC1 Z4416 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.15 O=C(CBr)C1CCCCC1 W6993 [0,1,0,1,0,0|1,0,1]=4 129 B10R1.275 CN1CCCC[C@H](N)C1=O 6487AC [0,1,0,1,0,0|1,0,1]=4 130 B10R1.411 COC(=O)C1(N)CCCC1 X3163 [0,1,0,1,0,0|1,0,1]=4 131 B10R1.27 NCC(=O)NC1CCCC1 0665AD [0,1,0,1,0,0|1,0,1]=4 132 B10R1.1 CCCN1CCC(=O)CC1 V0038 [0,1,0,1,0,0|0,0,2]=4 133 B10R1.1 CCOC1CCC(=O)CC1 7957AD [0,1,0,1,0,0|0,0,2]=4