0 B8R0.28 CC(=O)O[Pd]OC(=O)C AB01097 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 CC(C)CCN=C=O AB54602 [1,0,0,0,0,0|1,0,1]=3 2 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.4 CN(C)CCN=C=O AB74241 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.7 CC(C)CC[C@@H](C(=O)O)N AB15913 [0,1,0,0,0,0|2,0,0]=3 5 B9R0.7 CC(C)CC[C@H](C(=O)O)N AB29542 [0,1,0,0,0,0|2,0,0]=3 6 B9R1.35 C1CC(CC1C(=O)O)N PB32983 [0,0,0,1,0,0|3,0,0]=4 7 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N MB00932 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N PB39081 [0,0,0,1,0,0|3,0,0]=4 9 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N PB37995 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.35 CC(=O)C1CCN(C1)C AB77113 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.35 CC(=O)N1CCC(C1)N PB28324 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.35 CC(=O)N1CC[C@H](C1)O PB14774 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.35 CN1CCC(C1)C(=O)O AB28180 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.35 CN1CCC(C1)C(=O)O PB14668 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.35 CN1CC[C@@H](C1)C(=O)O PB23010 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.35 CN1CC[C@H](C1)C(=O)O PB34995 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O AB76265 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O AB31640 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O AB76261 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O AB42905 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.53 C1C(CC1N)CC(=O)O PB36872 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.53 C1[C@@H](C[C@@H]1CC(=O)O)N PB38036 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.53 C1[C@@H](C[C@H]1CC(=O)O)N PB38407 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.53 CC(=O)NC1CC(C1)N PB34690 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.53 CC(=O)OC1CC(=O)C1 PB31624 [0,0,0,1,0,0|1,0,1]=3 27 B9R1.53 CC(=O)OC1CC(=O)N1 PB20865 [0,0,0,1,0,0|2,0,1]=4 28 B7R0.6 CC(=O)CNC(=O)C AB02398 [0,0,0,0,1,0|2,0,1]=4 29 B7R0.6 CC(=O)\C=C\N(C)C AB03818 [0,0,0,0,1,0|1,0,2]=4 30 B8R0.5 CCCC(CC(=O)O)N AB01975 [1,1,0,0,0,0|2,0,0]=4 31 B8R1.1 C1C(CNC1=O)CN PB10686 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.1 C1C(CNC1=O)CO PB26709 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.1 C1[C@H](COC1=O)CF MB19704 [1,0,0,1,0,0|1,0,0]=3 37 B8R1.4 C1CNC(=O)CC1N PB11631 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.4 CC1CC(=O)CCN1 PB18889 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.4 CC1CC(=O)CCO1 PB18115 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.4 CC1CC(CCO1)O PB22789 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.4 CN1CCCC(=O)C1 AB39316 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.6 CCOC1CC(C1)N PB35675 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.6 CCO[C@H]1C[C@@H](C1)N PB36228 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.6 CCO[C@H]1C[C@H](C1)N PB37547 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.7 C1CCC(C1)C(=O)O AB00138 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.7 CC(C)[C@@H]1CCNC1 AB66437 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.7 CC(C)[C@H]1CCNC1 AB66440 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.22 C1CC(=O)CCNC1 PB26051 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.22 C1CC(=O)CCOC1 AB76453 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.22 C1CC(CCOC1)N AB70734 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.22 C1CNCC(=O)NC1 AB30280 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.22 C1CNCCNC1=O AB07054 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.34 CC(=O)NC1CNC1 PB23547 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.34 CC(=O)SC1CNC1 PB19657 [1,0,0,1,0,0|1,1,0]=4 58 B8R1.72 CC1(CCNCC1)C AB17027 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.72 CC1(CCNCC1)C PB14098 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.72 CC1(CCOCC1)N PB22590 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.3 C1CC(=O)CCC1N AB26267 [0,0,0,1,1,0|1,0,0]=3 62 B8R1.3 C1CC(=O)NCC1N PB22229 [0,0,0,1,1,0|2,0,0]=4 63 B8R1.3 CC1CNC(=O)CN1 AB37204 [0,0,0,1,1,0|2,0,0]=4 64 B8R1.3 CC1CNC(=O)CO1 AB71787 [0,0,0,1,1,0|2,0,0]=4 65 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [0,0,0,1,1,0|2,0,0]=4 66 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [0,0,0,1,1,0|2,0,0]=4 67 B8R1.23 C1C(CC1Cl)C(=O)O PB13057 [0,0,0,1,1,0|2,0,0]=4 68 B8R1.23 C1C(CC1F)C(=O)O PB20399 [0,0,0,1,1,0|2,0,0]=4 69 B8R1.23 C1C(CC1O)C(=O)O PB26416 [0,0,0,1,1,0|2,0,0]=4 70 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB12385 [0,0,0,1,1,0|2,0,0]=4 71 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB25257 [0,0,0,1,1,0|2,0,0]=4 72 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O PB34748 [0,0,0,1,1,0|2,0,0]=4 73 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB21941 [0,0,0,1,1,0|2,0,0]=4 74 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB31884 [0,0,0,1,1,0|2,0,0]=4 75 B8R1.23 CC(=O)N1CC(C1)N PB34955 [0,0,0,1,1,0|2,0,0]=4 76 B8R1.23 CC(=O)N1CC(C1)O PB10405 [0,0,0,1,1,0|2,0,0]=4 77 B8R1.23 CC1CC(C1)C(=O)O PB21154 [0,0,0,1,1,0|1,0,0]=3 78 B8R1.23 CN1CC(C1)C(=O)O PB25405 [0,0,0,1,1,0|2,0,0]=4 79 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O PB24101 [0,0,0,1,1,0|1,0,0]=3 80 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O PB24098 [0,0,0,1,1,0|1,0,0]=3 81 B8R1.51 C1CC(CC1=O)(F)F AB71425 [0,0,0,1,1,0|2,0,0]=4 82 B8R1.51 CC1(COC(=O)N1)C PB29297 [0,0,0,1,1,0|1,0,0]=3 83 B8R1.77 CC(=O)C1CC1(F)F AB85494 [0,0,0,1,1,0|2,0,0]=4 84 B8R1.77 CC1(CC1C(=O)O)C AB21127 [0,0,0,1,1,0|1,0,0]=3 85 B10R1.54 CC(=O)O[C@@H]1C[C@@H](C=C1)O PB32133 [0,0,0,1,0,1|1,0,1]=4 86 B10R1.113 CC(C)C1CNCC(=O)N1 AB37306 [0,0,0,1,0,1|2,0,0]=4 87 B10R1.113 CC(C)C1COCC(=O)N1 AB72696 [0,0,0,1,0,1|1,0,0]=3 88 B10R1.113 CC(C)N1CCCC(=O)C1 AB39319 [0,0,0,1,0,1|1,0,0]=3 89 B10R1.113 CC(C)[C@@H]1CNCC(=O)N1 AB37312 [0,0,0,1,0,1|2,0,0]=4 90 B10R1.113 CC(C)[C@H]1CNCC(=O)N1 AB37309 [0,0,0,1,0,1|2,0,0]=4 91 B10R1.113 CN1CCOC(C1)C(=O)O AB28265 [0,0,0,1,0,1|2,0,0]=4 92 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AB16257 [0,0,0,1,0,1|2,0,0]=4 93 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O AB51287 [0,0,0,1,0,1|2,0,0]=4 94 B10R1.13 CC(=O)N1CCC(CC1)N PB24800 [0,1,0,1,0,0|2,0,0]=4 95 B10R1.13 CC(=O)N1CCC(CC1)O PB11970 [0,1,0,1,0,0|2,0,0]=4 96 B10R1.13 CC(=O)N1CCN(CC1)C MB01399 [0,1,0,1,0,0|2,0,0]=4 97 B10R1.13 CC(C)C1CNC(=O)CN1 AB37212 [0,1,0,1,0,0|1,0,0]=3 98 B10R1.13 CC(C)N1CCC(=O)CC1 AB01696 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.13 CC(C)[C@@H]1CNC(=O)CN1 AB37218 [0,1,0,1,0,0|1,0,0]=3 100 B10R1.13 CC(C)[C@H]1CNC(=O)CN1 AB37214 [0,1,0,1,0,0|1,0,0]=3 101 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O AB02851 [0,1,0,1,0,0|2,0,0]=4 102 B10R1.14 CN1CCC(C1)C(=O)OC AB65288 [0,1,0,1,0,0|2,0,0]=4 103 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N PB15463 [0,1,0,1,0,0|2,0,0]=4 104 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N PB37186 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N PB38858 [0,1,0,1,0,0|2,0,0]=4 106 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N PB36059 [0,1,0,1,0,0|2,0,0]=4 107 B10R1.171 CC1(CC(CCO1)CN)C AB61238 [0,1,0,1,0,0|1,0,1]=4 108 B10R1.83 CC1(C(CC1N)C(=O)O)C PB35717 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.83 CC1([C@@H](C[C@@H]1N)C(=O)O)C PB36525 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.83 CC1([C@H](C[C@@H]1N)C(=O)O)C PB39190 [0,1,0,1,0,0|2,0,0]=4 111 B10R2.178 C1CC2C(=O)CCC1N2 PB36488 [0,0,0,2,0,0|2,0,0]=4 112 B10R2.357 C1C2C1CC(C2)C(=O)O PB25532 [0,0,0,2,0,0|2,0,0]=4 113 B6R0.2 CC(C)CC(=N)N AB60903 [0,0,0,0,2,0|2,0,0]=4 114 B6R0.2 CC(C)CC(=S)N AB52630 [0,0,0,0,2,0|1,1,0]=4 115 B6R0.2 CC(C)O[N+](=O)[O-] AB00827 [0,0,0,0,2,0|2,0,0]=4