0 B15R1.3697 CCOC1OC(C(C(C1O)O)O)C(=O)O MCULE-2877350062 [0,0,0,0,0,0|0,0,0]=0 1 B15R1.3697 CCOC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O MCULE-5628214277 [0,0,0,0,0,0|0,0,0]=0 2 B15R1.3697 CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O MCULE-5622258473 [0,0,0,0,0,0|0,0,0]=0 3 B15R1.3697 CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O MCULE-9789886475 [0,0,0,0,0,0|0,0,0]=0 4 B15R1.3697 CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)[O-] MCULE-1695554656 [0,0,0,0,0,0|0,0,1]=1 5 B15R1.3697 CCSC1OC(C(C(C1O)O)O)C(=O)O MCULE-1393786443 [0,0,0,0,0,0|0,1,0]=1 6 B15R1.3697 [N-]=[N+]=N[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O MCULE-9179435991 [0,0,0,0,0,0|3,0,0]=3 7 B14R1.569 COC1OC(C(C(C1O)O)O)C(=O)O MCULE-3461375594 [1,0,0,0,0,0|0,0,0]=1 8 B14R1.569 COC1OC(C(C(C1O)O)O)C(=O)[O-] MCULE-7805531253 [1,0,0,0,0,0|0,0,1]=2 9 B14R1.569 CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O MCULE-9918375960 [1,0,0,0,0,0|0,0,0]=1 10 B14R1.569 CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)[O-] MCULE-4873449615 [1,0,0,0,0,0|0,0,1]=2 11 B14R1.569 CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)[O-] MCULE-9004953531 [1,0,0,0,0,0|0,0,1]=2 12 B14R1.569 CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)[O-] MCULE-9488969824 [1,0,0,0,0,0|0,0,1]=2 13 B14R1.3228 CCOC1OC(C(C(C1O)O)O)CO MCULE-3378309932 [1,0,0,0,0,0|0,0,1]=2 14 B14R1.3228 CCOC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-1677431660 [1,0,0,0,0,0|0,0,1]=2 15 B14R1.3228 CCOC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-3330783259 [1,0,0,0,0,0|0,0,1]=2 16 B14R1.3228 CCO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-4843970441 [1,0,0,0,0,0|0,0,1]=2 17 B14R1.3228 CCO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-6000818192 [1,0,0,0,0,0|0,0,1]=2 18 B14R1.3228 CCO[C@@H]1O[C@@H]([C@H](C(=O)[C@H]1O)O)CO MCULE-2455609551 [1,0,0,0,0,0|0,0,3]=4 19 B14R1.3228 CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-3308986256 [1,0,0,0,0,0|0,0,1]=2 20 B14R1.3228 CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-5343232216 [1,0,0,0,0,0|0,0,1]=2 21 B14R1.3228 CCO[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-3765340396 [1,0,0,0,0,0|0,0,1]=2 22 B14R1.3228 CCO[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-4740048702 [1,0,0,0,0,0|0,0,1]=2 23 B14R1.3228 CCO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-1776559631 [1,0,0,0,0,0|0,0,1]=2 24 B14R1.3228 CCO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-8283241342 [1,0,0,0,0,0|0,0,1]=2 25 B14R1.3228 CCSC1OC(C(C(C1O)O)O)CO MCULE-9467571820 [1,0,0,0,0,0|0,1,1]=3 26 B14R1.3228 CCSC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-4212393626 [1,0,0,0,0,0|0,1,1]=3 27 B14R1.3228 CCS[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-1676023174 [1,0,0,0,0,0|0,1,1]=3 28 B14R1.3228 CCS[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-2259884552 [1,0,0,0,0,0|0,1,1]=3 29 B14R1.3228 CCS[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-3075052752 [1,0,0,0,0,0|0,1,1]=3 30 B14R1.3228 CCS[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-8332312914 [1,0,0,0,0,0|0,1,1]=3 31 B14R1.3228 CCS[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-2378173117 [1,0,0,0,0,0|0,1,1]=3 32 B14R1.3228 CCS[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-5659961237 [1,0,0,0,0,0|0,1,1]=3 33 B14R1.3228 CSOC1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-2071550971 [1,0,0,0,0,0|1,0,1]=3 34 B16R1.6983 CCCOC1OC(C(C(C1O)O)O)C(=O)O MCULE-9361607549 [0,1,0,0,0,0|0,0,0]=1 35 B16R1.98333 CC(C)SC1OC(C(C(C1O)O)O)C(=O)[O-] MCULE-5209690640 [0,1,0,0,0,0|0,1,1]=3 36 B16R1.98333 CC(C)SC1OC(C(C(C1O)O)O)C(=O)[O-] MCULE-7642134420 [0,1,0,0,0,0|0,1,1]=3 37 B16R1.98333 CC(C)S[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)[O-] MCULE-4654908578 [0,1,0,0,0,0|0,1,1]=3 38 B16R1.98333 CC(C)S[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)[O-] MCULE-7816596333 [0,1,0,0,0,0|0,1,1]=3 39 B16R1.98333 CC(C)S[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)[O-] MCULE-8496628864 [0,1,0,0,0,0|0,1,1]=3 40 B16R1.98333 CC(C)S[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)[O-] MCULE-8888512099 [0,1,0,0,0,0|0,1,1]=3 41 B13R0.1303 CCNCC(O)C(O)C(O)C(O)CO MCULE-5454792046 [1,0,1,0,0,0|1,0,1]=4 42 B13R0.1303 CCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-4346237111 [1,0,1,0,0,0|1,0,1]=4 43 B13R0.1303 CCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-7643099434 [1,0,1,0,0,0|1,0,1]=4 44 B13R1.425 COC1OC(C(C(C1O)N)O)CO MCULE-1316617596 [2,0,0,0,0,0|1,0,1]=4 45 B13R1.425 COC1OC(C(C(C1O)N)O)CO MCULE-9999485064 [2,0,0,0,0,0|1,0,1]=4 46 B13R1.425 COC1OC(C(C(C1O)O)F)CO MCULE-1047101062 [2,0,0,0,0,0|1,0,1]=4 47 B13R1.425 COC1OC(C(C(C1O)O)O)CN MCULE-2029311454 [2,0,0,0,0,0|1,0,1]=4 48 B13R1.425 COC1OC(C(C(C1O)O)O)CN MCULE-5404022059 [2,0,0,0,0,0|1,0,1]=4 49 B13R1.425 COC1OC(C(C(C1O)O)O)CO MCULE-2996950876 [2,0,0,0,0,0|0,0,1]=3 50 B13R1.425 COC1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CN MCULE-1623481105 [2,0,0,0,0,0|1,0,1]=4 51 B13R1.425 COC1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CN MCULE-1680905956 [2,0,0,0,0,0|1,0,1]=4 52 B13R1.425 COC1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-3827968214 [2,0,0,0,0,0|0,0,1]=3 53 B13R1.425 COC1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-4050728807 [2,0,0,0,0,0|0,0,1]=3 54 B13R1.425 COC1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-6636856603 [2,0,0,0,0,0|0,0,1]=3 55 B13R1.425 COC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-7932280904 [2,0,0,0,0,0|0,0,1]=3 56 B13R1.425 CO[C@@H]1OC([C@H](C([C@@H]1O)O)F)CO MCULE-7627941242 [2,0,0,0,0,0|1,0,1]=4 57 B13R1.425 CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-3927814678 [2,0,0,0,0,0|0,0,1]=3 58 B13R1.425 CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-4977968168 [2,0,0,0,0,0|0,0,1]=3 59 B13R1.425 CO[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O)CO MCULE-4916229897 [2,0,0,0,0,0|0,0,1]=3 60 B13R1.425 CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO MCULE-5730024463 [2,0,0,0,0,0|0,0,1]=3 61 B13R1.425 CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-7062007885 [2,0,0,0,0,0|0,0,1]=3 62 B13R1.425 CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-9389110071 [2,0,0,0,0,0|0,0,1]=3 63 B13R1.425 CO[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-9144432129 [2,0,0,0,0,0|0,0,1]=3 64 B13R1.425 CO[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-9921393818 [2,0,0,0,0,0|0,0,1]=3 65 B13R1.425 CO[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)N)O)CO MCULE-1493688879 [2,0,0,0,0,0|1,0,1]=4 66 B13R1.425 CO[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)N)O)CO MCULE-3858617141 [2,0,0,0,0,0|1,0,1]=4 67 B13R1.425 CO[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)N)O)CO MCULE-5014344968 [2,0,0,0,0,0|1,0,1]=4 68 B13R1.425 CO[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)N)O)CO MCULE-9811833710 [2,0,0,0,0,0|1,0,1]=4 69 B13R1.425 CO[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO MCULE-4215248759 [2,0,0,0,0,0|0,0,1]=3 70 B13R1.425 CO[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO MCULE-7318740676 [2,0,0,0,0,0|0,0,1]=3 71 B13R1.425 CO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)F)CO MCULE-8938319219 [2,0,0,0,0,0|1,0,1]=4 72 B13R1.425 CO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CN MCULE-1077737662 [2,0,0,0,0,0|1,0,1]=4 73 B13R1.425 CO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CN MCULE-9936945841 [2,0,0,0,0,0|1,0,1]=4 74 B13R1.425 CO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-1522004208 [2,0,0,0,0,0|0,0,1]=3 75 B13R1.425 CO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-9257991017 [2,0,0,0,0,0|0,0,1]=3 76 B13R1.425 CO[C@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)CO MCULE-5838928299 [2,0,0,0,0,0|0,0,1]=3 77 B13R1.425 CSC1OC(C(C(C1O)O)O)CO MCULE-3908562098 [2,0,0,0,0,0|0,1,1]=4 78 B13R1.425 CS[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-5057386223 [2,0,0,0,0,0|0,1,1]=4 79 B13R1.425 CS[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-9097161652 [2,0,0,0,0,0|0,1,1]=4 80 B13R1.425 CS[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-1476297092 [2,0,0,0,0,0|0,1,1]=4 81 B13R1.2811 NC(=O)C1OC(C(C(C1O)O)O)O MCULE-7559175878 [2,0,0,0,0,0|1,0,0]=3 82 B13R1.2811 NC(=O)[C@H]1OC([C@@H]([C@H]([C@@H]1O)O)O)O MCULE-1156987675 [2,0,0,0,0,0|1,0,0]=3 83 B13R1.2811 NC(=O)[C@H]1OC([C@@H]([C@H]([C@@H]1O)O)O)O MCULE-2273465450 [2,0,0,0,0,0|1,0,0]=3 84 B13R1.2811 O=C(O)C1OC(C(C(C1O)O)O)O MCULE-7930313634 [2,0,0,0,0,0|0,0,0]=2 85 B13R1.2811 O=C(O)[C@H]1OC([C@@H]([C@H]([C@@H]1O)O)O)O MCULE-3088756167 [2,0,0,0,0,0|0,0,0]=2 86 B13R1.2811 O=C(O)[C@H]1OC([C@@H]([C@H]([C@@H]1O)O)O)O MCULE-3816804508 [2,0,0,0,0,0|0,0,0]=2 87 B13R1.2811 O=C(O)[C@H]1OC([C@@H]([C@H]([C@H]1O)O)O)O MCULE-4927700545 [2,0,0,0,0,0|0,0,0]=2 88 B13R1.2811 O=C(O)[C@H]1OC([C@@H]([C@H]([C@H]1O)O)O)O MCULE-9009239892 [2,0,0,0,0,0|0,0,0]=2 89 B13R1.2811 O=C(O)[C@H]1OC([C@H]([C@H]([C@@H]1O)O)O)O MCULE-6555166603 [2,0,0,0,0,0|0,0,0]=2 90 B13R1.2811 O=C(O)[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O MCULE-2333392456 [2,0,0,0,0,0|0,0,0]=2 91 B13R1.2811 O=C(O)[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O MCULE-7696958811 [2,0,0,0,0,0|0,0,0]=2 92 B13R1.2811 O=C(O)[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O MCULE-7089526011 [2,0,0,0,0,0|0,0,0]=2 93 B13R1.2811 O=C(O)[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O MCULE-9657350508 [2,0,0,0,0,0|0,0,0]=2 94 B13R1.2811 O=C([O-])C1OC(C(C(C1O)O)O)O MCULE-2269101949 [2,0,0,0,0,0|0,0,1]=3 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C#CCO[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO MCULE-9904638301 [1,1,0,0,0,0|0,0,2]=4 106 B15R1.5528 C1(OC(C(C(C1O)O)O)OCC=C)CO MCULE-7516018695 [1,1,0,0,0,0|0,0,2]=4 107 B15R1.5528 C=CCOC1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-2852311256 [1,1,0,0,0,0|0,0,2]=4 108 B15R1.5528 C=CCO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-3481370396 [1,1,0,0,0,0|0,0,2]=4 109 B15R1.5528 C=CCO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-7343331080 [1,1,0,0,0,0|0,0,2]=4 110 B15R1.5528 C=CCO[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-5205508662 [1,1,0,0,0,0|0,0,2]=4 111 B15R1.5528 C=CCO[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-7372530549 [1,1,0,0,0,0|0,0,2]=4 112 B15R1.5528 C=CCO[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO MCULE-2233828938 [1,1,0,0,0,0|0,0,2]=4 113 B15R1.5528 C=CCO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-2144559989 [1,1,0,0,0,0|0,0,2]=4 114 B15R1.5528 C=CCO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-2879954867 [1,1,0,0,0,0|0,0,2]=4 115 B15R1.5528 CCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-7478615801 [1,1,0,0,0,0|0,0,1]=3 116 B15R1.5528 CCCO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-9694352448 [1,1,0,0,0,0|0,0,1]=3 117 B15R1.5528 OCC1O[C@H]([C@H](C([C@@H]1O)O)O)OCCS MCULE-3169232353 [1,1,0,0,0,0|0,0,1]=3 118 B15R1.5528 OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OCCCl MCULE-6985922666 [1,1,0,0,0,0|0,0,1]=3 119 B17R1.462122 O=C(O)C1OC(C(C(C1O)O)O)OP(=O)(O)O MCULE-1932212992 [0,2,0,0,0,0|2,0,0]=4 120 B15R2.2031 CC1OC2OC(C(C(C2O1)O)O)CO MCULE-9978935434 [1,0,0,1,0,0|0,0,1]=3