0 B15R1.694 CC(=O)NC1OC(C(C(C1N)O)O)CO MCULE-8553199767 [0,0,0,0,0,0|3,0,1]=4 1 B15R1.694 CC(=O)NC1OC(C(C(C1O)O)O)CO MCULE-7795386526 [0,0,0,0,0,0|2,0,1]=3 2 B15R1.694 CC(C)SC1OC(C(C(C1O)O)O)CO MCULE-8478921699 [0,0,0,0,0,0|0,0,0]=0 3 B15R1.694 CC(C)S[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-1464399368 [0,0,0,0,0,0|0,0,0]=0 4 B15R1.694 CC(C)S[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-4698103143 [0,0,0,0,0,0|0,0,0]=0 5 B15R1.694 CC(C)S[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-6842268766 [0,0,0,0,0,0|0,0,0]=0 6 B15R1.694 CC(C)S[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-2499640307 [0,0,0,0,0,0|0,0,0]=0 7 B15R1.694 NC(=O)NC1OC(C(C(C1O)O)O)CO MCULE-1961886740 [0,0,0,0,0,0|3,0,1]=4 8 B15R1.694 NC(=O)N[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-2814164832 [0,0,0,0,0,0|3,0,1]=4 9 B15R1.694 NC(=S)NC1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO MCULE-2777197941 [0,0,0,0,0,0|3,0,1]=4 10 B15R1.694 NC(=S)N[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-7921484423 [0,0,0,0,0,0|3,0,1]=4 11 B15R1.694 O=N(=O)CC1OC(C(C(C1O)O)O)CO MCULE-6229474055 [0,0,0,0,0,0|4,0,0]=4 12 B15R1.694 O=[N+]([O-])C[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-5560782072 [0,0,0,0,0,0|4,0,0]=4 13 B15R1.694 O=[N+]([O-])C[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO MCULE-1137264241 [0,0,0,0,0,0|4,0,0]=4 14 B15R1.694 O=[N+]([O-])C[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-1712951904 [0,0,0,0,0,0|4,0,0]=4 15 B15R1.694 O=[N+]([O-])C[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-5668638045 [0,0,0,0,0,0|4,0,0]=4 16 B14R1.3228 C1(OC(C(C(C1O)O)O)N=N#N)CO MCULE-1096369277 [1,0,0,0,0,0|3,0,0]=4 17 B14R1.3228 CCOC1OC(C(C(C1O)O)O)CO MCULE-3378309932 [1,0,0,0,0,0|0,1,0]=2 18 B14R1.3228 CCOC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-1677431660 [1,0,0,0,0,0|0,1,0]=2 19 B14R1.3228 CCOC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-3330783259 [1,0,0,0,0,0|0,1,0]=2 20 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|0,1,0]=2 21 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|0,1,0]=2 22 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|0,1,2]=4 23 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|0,1,0]=2 24 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|0,1,0]=2 25 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|0,1,0]=2 26 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|0,1,0]=2 27 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|0,1,0]=2 28 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|0,1,0]=2 29 B14R1.3228 CCSC1OC(C(C(C1O)O)O)CO MCULE-9467571820 [1,0,0,0,0,0|0,0,0]=1 30 B14R1.3228 CCSC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-4212393626 [1,0,0,0,0,0|0,0,0]=1 31 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|0,0,0]=1 32 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|0,0,0]=1 33 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|0,0,0]=1 34 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|0,0,0]=1 35 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|0,0,0]=1 36 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|0,0,0]=1 37 B14R1.3228 CSOC1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-2071550971 [1,0,0,0,0,0|1,1,0]=3 38 B14R1.3228 [N-]=[N+]=N[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-4894469478 [1,0,0,0,0,0|3,0,0]=4 39 B14R1.3228 [N-]=[N+]=N[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-9602364158 [1,0,0,0,0,0|3,0,0]=4 40 B14R1.3228 [N-]=[N+]=N[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-1506428575 [1,0,0,0,0,0|3,0,0]=4 41 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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|0,0,2]=3 52 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|0,0,2]=3 53 B13R0.1303 CCNCC(O)C(O)C(O)C(O)CO MCULE-5454792046 [1,0,1,0,0,0|1,0,0]=3 54 B13R0.1303 CCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-4346237111 [1,0,1,0,0,0|1,0,0]=3 55 B13R0.1303 CCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-7643099434 [1,0,1,0,0,0|1,0,0]=3 56 B13R1.3528 CC(O)C[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O MCULE-6334449030 [2,0,0,0,0,0|2,0,0]=4 57 B13R1.3528 CC(O)C[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O MCULE-7945979023 [2,0,0,0,0,0|2,0,0]=4 58 B13R1.3528 C[C@H](O)C[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O MCULE-3545769602 [2,0,0,0,0,0|2,0,0]=4 59 B13R1.3528 C[C@H](O)C[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O MCULE-7990935730 [2,0,0,0,0,0|2,0,0]=4 60 B13R1.425 COC1OC(C(C(C1O)N)O)CO MCULE-1316617596 [2,0,0,0,0,0|1,1,0]=4 61 B13R1.425 COC1OC(C(C(C1O)N)O)CO MCULE-9999485064 [2,0,0,0,0,0|1,1,0]=4 62 B13R1.425 COC1OC(C(C(C1O)O)F)CO MCULE-1047101062 [2,0,0,0,0,0|1,1,0]=4 63 B13R1.425 COC1OC(C(C(C1O)O)O)CN MCULE-2029311454 [2,0,0,0,0,0|1,1,0]=4 64 B13R1.425 COC1OC(C(C(C1O)O)O)CN MCULE-5404022059 [2,0,0,0,0,0|1,1,0]=4 65 B13R1.425 COC1OC(C(C(C1O)O)O)CO MCULE-2996950876 [2,0,0,0,0,0|0,1,0]=3 66 B13R1.425 COC1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CN MCULE-1623481105 [2,0,0,0,0,0|1,1,0]=4 67 B13R1.425 COC1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CN MCULE-1680905956 [2,0,0,0,0,0|1,1,0]=4 68 B13R1.425 COC1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-3827968214 [2,0,0,0,0,0|0,1,0]=3 69 B13R1.425 COC1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-4050728807 [2,0,0,0,0,0|0,1,0]=3 70 B13R1.425 COC1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-6636856603 [2,0,0,0,0,0|0,1,0]=3 71 B13R1.425 COC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-7932280904 [2,0,0,0,0,0|0,1,0]=3 72 B13R1.425 CO[C@@H]1OC([C@H](C([C@@H]1O)O)F)CO MCULE-7627941242 [2,0,0,0,0,0|1,1,0]=4 73 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|0,1,0]=3 74 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|0,1,0]=3 75 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|0,1,0]=3 76 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|0,1,0]=3 77 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|0,1,0]=3 78 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|0,1,0]=3 79 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|0,1,0]=3 80 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|0,1,0]=3 81 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|1,1,0]=4 82 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|1,1,0]=4 83 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|1,1,0]=4 84 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|1,1,0]=4 85 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|0,1,0]=3 86 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|0,1,0]=3 87 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|1,1,0]=4 88 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|1,1,0]=4 89 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|1,1,0]=4 90 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|0,1,0]=3 91 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|0,1,0]=3 92 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|0,1,0]=3 93 B13R1.425 CSC1OC(C(C(C1O)O)O)CO MCULE-3908562098 [2,0,0,0,0,0|0,0,0]=2 94 B13R1.425 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B17R1.811 OCC(O)COC1OC(C(C(C1O)O)O)CO MCULE-8616448874 [0,1,0,0,0,1|1,1,0]=4 126 B17R1.811 OC[C@@H](O)CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-6051773907 [0,1,0,0,0,1|1,1,0]=4 127 B17R1.811 OC[C@@H](O)CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-9464246211 [0,1,0,0,0,1|1,1,0]=4 128 B17R1.20154 C=CC(C)(C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-2007157505 [0,2,0,0,0,0|0,1,0]=3 129 B17R1.20154 C=CC(C)(C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-7515774076 [0,2,0,0,0,0|0,1,0]=3 130 B17R1.20154 CC(C)(C#N)OC1OC(C(C(C1O)O)O)CO MCULE-8836890473 [0,2,0,0,0,0|0,1,0]=3 131 B17R1.20154 CC(C)(C#N)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-6440761351 [0,2,0,0,0,0|0,1,0]=3 132 B17R1.20154 CC(C)(C#N)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-6640960531 [0,2,0,0,0,0|0,1,0]=3 133 B17R1.812 OCC(CO)N[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-5254095849 [0,2,0,0,0,0|2,0,0]=4 134 B17R1.812 OCC(CO)O[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-7422451791 [0,2,0,0,0,0|0,1,0]=3 135 B17R1.812 OCC(CO)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-5107557920 [0,2,0,0,0,0|0,1,0]=3 136 B15R1.18463 CC1(OC[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)CO)C MCULE-1002629349 [0,0,1,1,0,0|0,1,0]=3 137 B15R2.2031 CC1=NC2C(S1)OC(C(C2O)O)CO MCULE-4482518601 [1,0,0,1,0,0|1,0,1]=4 138 B15R2.2031 CC1=NC2C(S1)O[C@@H]([C@H]([C@@H]2O)O)CO MCULE-6624477336 [1,0,0,1,0,0|1,0,1]=4 139 B15R2.2031 CC1=N[C@H]2[C@@H](S1)O[C@@H]([C@H]([C@@H]2O)O)CO MCULE-8029381772 [1,0,0,1,0,0|1,0,1]=4 140 B15R2.2031 CC1OC2OC(C(C(C2O1)O)O)CO MCULE-9978935434 [1,0,0,1,0,0|1,1,0]=4 141 B15R2.2031 [C@H]12O[C@@H]([C@H]([C@@H]([C@H]1N=C(S2)C)O)O)CO MCULE-5170790914 [1,0,0,1,0,0|1,0,1]=4 142 B17R2.1738 CN(C)C1=N[C@H]2[C@@H](S1)O[C@@H]([C@H]([C@@H]2O)O)CO MCULE-8279710372 [0,0,0,1,0,1|2,0,0]=4 143 B17R2.1738 [C@H]12O[C@@H]([C@H]([C@@H]([C@H]1N=C(S2)N(C)C)O)O)CO MCULE-7379494289 [0,0,0,1,0,1|2,0,0]=4 144 B17R2.48779 OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OCC2CC2 MCULE-9603827406 [0,0,0,1,0,1|0,1,0]=3 145 B17R2.423229 C12OC(C(C(C1OC(O2)(C)OC)O)O)CO MCULE-1718679857 [0,1,0,1,0,0|0,1,0]=3 146 B17R2.423229 COC1(O[C@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O1)O)O)CO)C MCULE-9920782488 [0,1,0,1,0,0|0,1,0]=3 147 B17R1.810 CC(=CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C MCULE-9549535901 [0,0,0,0,0,2|0,1,1]=4 148 B17R1.810 CC(C)CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-3693348346 [0,0,0,0,0,2|0,1,0]=3 149 B17R1.810 CC(C)CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-8210487524 [0,0,0,0,0,2|0,1,0]=3