0 B20R2.23077 OC1C(NCCc2ccccc2)OC(C(C1O)O)C Amb1053698 [0,0,0,0,0,0|0,0,0]=0 1 B19R2.103257 OC1C(NCCc2ccccc2)OCC(C1O)O Amb1053895 [1,0,0,0,0,0|0,0,0]=1 2 B21R2.15485 OCC1OC(SCCc2ccccc2)C(O)C(O)C1O Amb22498712 [0,1,0,0,0,0|1,0,0]=2 3 B21R2.15485 OC[C@@H]1O[C@H](OCCc2ccccc2)[C@@H](O)[C@H](O)[C@H]1O Amb24324842 [0,1,0,0,0,0|1,0,0]=2 4 B21R2.15485 OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O Amb22352743 [0,1,0,0,0,0|1,0,0]=2 5 B21R2.15485 OC[C@H]1S[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O Amb19930812 [0,1,0,0,0,0|1,1,0]=3 6 B21R2.15485 OC[C@H]1S[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O Amb20242412 [0,1,0,0,0,0|1,1,0]=3 7 B21R2.29899 OC1OC(C(=O)OCc2ccccc2)[C@H](C([C@@H]1O)O)O Amb17609069 [0,1,0,0,0,0|3,0,0]=4 8 B21R3.392662 OC1OC2COC(OC2C(C1O)O)c3ccccc3 Amb16183694 [0,0,0,1,0,0|3,0,0]=4 9 B21R3.392662 OC1OC2COC(O[C@H]2[C@@H](C1O)O)c3ccccc3 Amb17609061 [0,0,0,1,0,0|3,0,0]=4 10 B21R3.392662 O[C@H]1O[C@@H]2COC(O[C@@H]2[C@H](O)[C@H]1O)c3ccccc3 Amb17779691 [0,0,0,1,0,0|3,0,0]=4 11 B19R2.17333 CC1OC(OCc2ccccc2)C(F)C(N)C1O Amb25107727 [0,0,0,0,1,0|3,0,0]=4 12 B18R2.6544 CC1CC(CCCc2ccccc2)C(O)CC1 Amb23936715 [2,0,0,0,0,0|2,0,0]=4 13 B20R2.12788 N[C@@H]1[C@H](O)[C@@H](OCc2ccccc2)O[C@H](CO)[C@H]1O Amb22735825 [0,1,0,0,1,0|2,0,0]=4 14 B20R2.12788 OCC1OC(OCc2ccccc2)C(C(C1O)O)O Amb16183733 [0,1,0,0,1,0|1,0,0]=3 15 B20R2.12788 OCC1O[C@@H](OCc2ccccc2)C(O)[C@H](O)[C@H]1O Amb19130739 [0,1,0,0,1,0|1,0,0]=3 16 B20R2.12788 OCC1O[C@@H](OCc2ccccc2)C([C@H]([C@@H]1O)O)O Amb17609039 [0,1,0,0,1,0|1,0,0]=3 17 B20R2.12788 OCC1O[C@H](OCc2ccccc2)C([C@H]([C@@H]1O)N)O Amb17608912 [0,1,0,0,1,0|2,0,0]=4 18 B20R2.12788 OCC1O[C@H](OCc2ccccc2)C([C@H]([C@H]1O)O)N Amb17608906 [0,1,0,0,1,0|2,0,0]=4 19 B20R2.12788 OC[C@@H]1O[C@H](OCc2ccccc2)[C@@H](O)[C@H](O)[C@H]1O Amb22746452 [0,1,0,0,1,0|1,0,0]=3 20 B20R2.12788 OC[C@H]1O[C@@H](NCc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O Amb16203851 [0,1,0,0,1,0|0,0,0]=2 21 B20R2.12788 OC[C@H]1O[C@H](OCc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O Amb16203162 [0,1,0,0,1,0|1,0,0]=3 22 B22R2.18249 OCC1OC(OC\C=C\c2ccccc2)C(O)C(O)C1O Amb22264635 [0,1,0,0,0,1|1,0,1]=4 23 B22R2.18249 OC[C@@H]1O[C@H](OC\C=C\c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O Amb24325894 [0,1,0,0,0,1|1,0,1]=4 24 B22R2.18249 OC[C@H]1O[C@@H](OC\C=C\c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O Amb15770148 [0,1,0,0,0,1|1,0,1]=4 25 B22R2.20448860 OC(=O)[C@H]1O[C@@H](SCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O Amb19930073 [0,2,0,0,0,0|1,0,1]=4 26 B22R2.23063 OC1C(NNC(=O)c2ccc(cc2)O)OC(C(C1O)O)C Amb1005197 [0,2,0,0,0,0|1,0,1]=4 27 B20R3.3407129 NC1C2OCC(OC1OCc3ccccc3)C2O Amb24736087 [0,0,0,1,1,0|2,0,0]=4 28 B20R3.3407129 N[C@@H]1[C@H]2OC[C@@H](O[C@H]1OCc3ccccc3)[C@H]2O Amb25744713 [0,0,0,1,1,0|2,0,0]=4 29 B22R3.906 OCC1OC(C(C(C1O)O)O)n2nnc3c2cccc3 Amb1271404 [0,1,0,1,0,0|2,0,0]=4 30 B22R3.1136131 CO[C@@H]1O[C@H]2CO[C@@H](O[C@H]2[C@@H](O)[C@@H]1O)c3ccccc3 Amb22746945 [0,1,0,1,0,0|2,0,0]=4 31 B18R2.32351 OC1[C@H](OCc2ccccc2)OC[C@H]([C@@H]1O)O Amb17608920 [1,0,0,0,1,0|1,0,0]=3 32 B18R2.32351 O[C@@H]1CO[C@@H](OCc2ccccc2)C(O)C1O Amb25224745 [1,0,0,0,1,0|1,0,0]=3 33 B18R2.32351 O[C@@H]1CO[C@H](OCc2ccccc2)[C@H](O)[C@H]1O Amb25175913 [1,0,0,0,1,0|1,0,0]=3 34 B18R2.32351 O[C@@H]1[C@H](O)CO[C@H](ONc2ccccc2)[C@H]1O Amb24309658 [1,0,0,0,1,0|2,0,0]=4 35 B18R2.32351 O[C@H]1CO[C@H](OCc2ccccc2)[C@H](O)[C@H]1O Amb25270347 [1,0,0,0,1,0|1,0,0]=3 36 B18R2.32351 O[C@H]1[C@H](NCc2ccccc2)OC[C@@H]([C@@H]1O)O Amb16203715 [1,0,0,0,1,0|0,0,0]=2 37 B18R2.38706 CC1OC(CC(N)C1O)OCc2ccccc2 Amb25188502 [1,0,0,0,1,0|2,0,0]=4 38 B18R2.38706 CC1OC(CC(O)C1N)OCc2ccccc2 Amb25717310 [1,0,0,0,1,0|2,0,0]=4 39 B18R2.38706 C[C@@H]1O[C@H](C[C@H](N)[C@H]1O)OCc2ccccc2 Amb24620791 [1,0,0,0,1,0|2,0,0]=4 40 B18R2.38706 C[C@@H]1O[C@H](C[C@H](O)[C@@H]1N)OCc2ccccc2 Amb25024448 [1,0,0,0,1,0|2,0,0]=4 41 B18R2.2466 CC1O[C@@H](Sc2ccccc2)C(O)[C@H](O)[C@@H]1O Amb19133653 [0,0,0,0,2,0|1,0,0]=3