0 B10R0.60 COC(=O)CCCP(=O)(O)O MCULE-1591689771 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.60 COC(=O)CNCP(=O)(O)O MCULE-3846537792 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.60 O=CN(O)CCCP(=O)(O)O MCULE-2546868747 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [1,0,0,0,0,0|3,0,0]=4 4 B9R0.1 CNC(=O)CCCC(=O)O MCULE-1504372631 [1,0,0,0,0,0|2,0,0]=3 5 B9R0.1 CNC(=O)COCC(=O)O MCULE-6654181237 [1,0,0,0,0,0|3,0,0]=4 6 B9R0.1 CNC(=O)NCCC(=O)O MCULE-2339960341 [1,0,0,0,0,0|3,0,0]=4 7 B9R0.1 COC(=O)CCCC(=O)O MCULE-9458960872 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.1 NCC(=O)CCCC(=O)O MCULE-2734634895 [1,0,0,0,0,0|3,0,0]=4 9 B9R0.1 NCC(=O)CCCC(=O)O MCULE-7779987234 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.1 O=C(O)CCNC(=O)CO MCULE-2710668626 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.38 CCCCCCP(=O)(O)O MCULE-9622755834 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.56 CS(=O)(=O)CCCC(=O)O MCULE-2515518184 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.56 NC(=O)NCCS(=O)(=O)O MCULE-6567400181 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.56 NS(=O)(=O)CCCC(=O)O MCULE-8548216682 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [1,0,0,0,0,0|0,0,0]=1 16 B9R0.56 O=C(O)CNCP(=O)(O)O MCULE-3308266821 [1,0,0,0,0,0|1,0,0]=2 17 B9R0.56 O=C([O-])CNCP(=O)(O)O MCULE-8648426476 [1,0,0,0,0,0|1,0,1]=3 18 B11R0.318 CN(C)C(=O)CCCS(=O)(=O)O MCULE-7235460142 [0,1,0,0,0,0|2,0,1]=4 19 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O MCULE-8623591326 [0,1,0,0,0,0|2,0,1]=4 20 B11R0.318 N[C@@H](CCCP(=O)(O)O)C(=O)O MCULE-4298011103 [0,1,0,0,0,0|2,0,1]=4 21 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-4903649245 [0,1,0,0,0,0|2,0,1]=4 22 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-6840301080 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.21 O=C(CO)COP(=O)(O)O MCULE-3352535301 [0,0,0,0,1,0|2,0,0]=3 24 B8R0.6 CCCCCC(=O)NO MCULE-8432990947 [2,0,0,0,0,0|2,0,0]=4 25 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [2,0,0,0,0,0|2,0,0]=4 26 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [2,0,0,0,0,0|2,0,0]=4 27 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [2,0,0,0,0,0|2,0,0]=4 28 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [2,0,0,0,0,0|2,0,0]=4 29 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [2,0,0,0,0,0|1,0,0]=3 30 B8R0.28 NC(=O)CCCN(=O)=O MCULE-8220881093 [2,0,0,0,0,0|0,1,1]=4 31 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [2,0,0,0,0,0|2,0,0]=4 32 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [2,0,0,0,0,0|2,0,0]=4 33 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [2,0,0,0,0,0|2,0,0]=4 35 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [2,0,0,0,0,0|1,0,0]=3 36 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [2,0,0,0,0,0|0,1,1]=4 37 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [2,0,0,0,0,0|2,0,0]=4 38 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [2,0,0,0,0,0|2,0,0]=4 39 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.21 NCCCCP(=O)(O)O MCULE-2632534074 [2,0,0,0,0,0|0,0,1]=3 41 B8R0.21 O=P(O)(O)CCCCBr MCULE-5686227952 [2,0,0,0,0,0|1,0,1]=4 42 B10R0.3 CCNC(=O)CCCC(=O)O MCULE-4769569674 [1,1,0,0,0,0|2,0,0]=4 43 B10R0.82 CNC(=O)CCC(N)C(=O)O MCULE-2815144960 [1,1,0,0,0,0|2,0,0]=4 44 B10R0.82 NC(CCC(=O)NO)C(=O)O MCULE-9353366308 [1,1,0,0,0,0|1,0,0]=3 45 B10R0.98 CN(C)C(=O)CCCC(=O)O MCULE-4460007693 [1,1,0,0,0,0|2,0,0]=4 46 B10R0.98 O=C(O)CCCC(=O)C(=O)O MCULE-5978557881 [1,1,0,0,0,0|2,0,0]=4 47 B10R0.15 O=C(O)CCCCP(=O)(O)O MCULE-9230270330 [1,1,0,0,0,0|1,0,1]=4 48 B10R0.12 O=C(O)CCC(=O)P(=O)(O)O MCULE-3743459791 [1,1,0,0,0,0|0,0,1]=3 49 B10R0.31 NC(=CC(=O)O)CP(=O)(O)O MCULE-1305156195 [1,1,0,0,0,0|0,0,2]=4 50 B10R0.31 NC(=O)NC(=O)CP(=O)(O)O MCULE-3971513778 [1,1,0,0,0,0|1,0,1]=4 51 B10R0.31 NC(=O)NC(=O)CP(=O)(O)O MCULE-7873324486 [1,1,0,0,0,0|1,0,1]=4 52 B10R0.92 CP(=O)(O)CCC(=O)C(=O)O MCULE-1980572351 [1,1,0,0,0,0|1,0,1]=4 53 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-1038057082 [1,1,0,0,0,0|1,0,0]=3 54 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-7761179555 [1,1,0,0,0,0|1,0,0]=3 55 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MCULE-2756478197 [1,1,0,0,0,0|0,0,0]=2 56 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O MCULE-7377602601 [1,1,0,0,0,0|1,0,1]=4 57 B10R0.92 NC(COP(=O)(O)O)C(=O)O MCULE-1695816394 [1,1,0,0,0,0|1,0,0]=3 58 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3863533502 [1,1,0,0,0,0|0,0,0]=2 59 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3988880216 [1,1,0,0,0,0|0,0,0]=2 60 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O MCULE-8204260402 [1,1,0,0,0,0|1,0,1]=4 61 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-3199737084 [1,1,0,0,0,0|1,0,0]=3 62 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-4907212979 [1,1,0,0,0,0|1,0,0]=3 63 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O MCULE-4319868114 [1,1,0,0,0,0|0,0,0]=2 64 B10R0.92 N[C@H](CCP(=O)([O-])O)C(=O)O MCULE-5292220353 [1,1,0,0,0,0|0,0,1]=3 65 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-4002733556 [1,1,0,0,0,0|1,0,0]=3 66 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-5554704102 [1,1,0,0,0,0|1,0,0]=3 67 B10R0.92 O=C(O)C(=O)COP(=O)(O)O MCULE-6558415212 [1,1,0,0,0,0|1,0,1]=4 68 B10R0.92 O=C(O)C(O)COP(=O)(O)O MCULE-4022388447 [1,1,0,0,0,0|1,0,0]=3 69 B10R0.92 O=C([O-])C(O)COP(=O)(O)O MCULE-5885787577 [1,1,0,0,0,0|1,0,1]=4 70 B10R0.113 O=P(O)(O)CCCP(=O)(O)O MCULE-6593590984 [1,1,0,0,0,0|1,0,0]=3 71 B10R0.113 O=P(O)(O)CNCP(=O)(O)O MCULE-9667516901 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.13 O=C1CCC(CN1)C(=O)O MCULE-9788917215 [1,0,0,1,0,0|2,0,0]=4 73 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-3191286949 [1,0,0,1,0,0|2,0,0]=4 74 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-9692186311 [1,0,0,1,0,0|2,0,0]=4 75 B10R1.13 O=C1CC[C@H](CN1)C(=O)O MCULE-6590332785 [1,0,0,1,0,0|2,0,0]=4 76 B10R1.54 O=C(O)CC1CNC(=O)C1 MCULE-1228415378 [1,0,0,1,0,0|2,0,0]=4 77 B10R1.194 CN1C(=O)CCC1C(=O)O MCULE-1836057812 [1,0,0,1,0,0|2,0,0]=4 78 B10R1.194 CN1C(=O)CCC1C(=O)O MCULE-7449426037 [1,0,0,1,0,0|2,0,0]=4 79 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O MCULE-5515047051 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O MCULE-6485454128 [1,0,0,1,0,0|2,0,0]=4 81 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O MCULE-7960298498 [1,0,0,1,0,0|2,0,0]=4 82 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O MCULE-9649189424 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.408 CNC(=O)C1CC1C(=O)O MCULE-5991575859 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.408 CNC(=O)[C@H]1C[C@@H]1C(=O)O MCULE-5485938531 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.307 O=P1(CCCP(=O)(C1)O)O MCULE-1671228402 [1,0,0,1,0,0|2,0,0]=4 86 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [1,0,0,0,1,0|2,0,0]=4 87 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [1,0,0,0,1,0|2,0,0]=4 88 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [1,0,0,0,1,0|2,0,0]=4 89 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [1,0,0,0,1,0|1,0,0]=3 90 B8R0.29 CC(=O)NCP(=O)(O)O MCULE-6441383987 [1,0,0,0,1,0|2,0,0]=4 91 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [1,0,0,0,1,0|2,0,0]=4 92 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [1,0,0,0,1,0|1,0,0]=3 93 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [1,0,0,0,1,0|0,0,0]=2 94 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [1,0,0,0,1,0|1,0,1]=4 95 B8R0.24 COC(=O)CP(=O)(O)O MCULE-7218551741 [0,0,0,0,2,0|2,0,0]=4 96 B8R0.24 O=C(CP(=O)(O)O)NO MCULE-2272923571 [0,0,0,0,2,0|0,0,0]=2 97 B10R0.55 CNC(=O)CCCCC(=O)O MCULE-3369426299 [1,0,0,0,0,1|2,0,0]=4