0 B18R2.16864 NC(=O)c1[n][n](c[n]1)[C@@H]2O[C@@H](CO)[C@@H](O)C2O Amb19133813 [0,0,0,0,0,0|0,0,0]=0 1 B18R2.16864 NC(=O)c1c[s]c([n]1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Amb22746206 [0,0,0,0,0,0|3,0,0]=3 2 B18R2.16864 OC[C@H]1O[C@H]([C@H](C1O)O)n2cnc(n2)C(=N)N Amb17621280 [0,0,0,0,0,0|1,0,0]=1 3 B18R2.16864 OC[C@H]1O[C@H]([C@H](C1O)O)n2cnc(n2)C(=O)N Amb17619924 [0,0,0,0,0,0|0,0,0]=0 4 B18R2.16864 O[13CH2][13C@H]1O[13C@H]([13C@H]([13CH]1O)O)n2cnc(n2)C(=N)N Amb17621281 [0,0,0,0,0,0|1,0,0]=1 5 B18R2.16864 O[13CH2][13C@H]1O[13C@H]([13C@H]([13CH]1O)O)n2cnc(n2)C(=O)N Amb17619925 [0,0,0,0,0,0|0,0,0]=0 6 B19R2.24755 OCC1OC(C(C1O)O)n2cnc(n2)C(=O)OC Amb17619932 [0,1,0,0,0,0|1,0,0]=2 7 B19R2.285877 NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N Amb17943031 [0,1,0,0,0,0|1,0,0]=2 8 B19R2.285877 OCC1OC(C(C1O)O)n2cnc(c2N)C(=O)N Amb10068488 [0,1,0,0,0,0|1,0,0]=2 9 B19R2.285877 OCC1OC(C(C1O)O)n2cnc(c2O)C(=O)N Amb15691313 [0,1,0,0,0,0|1,0,0]=2 10 B19R2.285877 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2cnc(c2O)C(=O)N Amb10974849 [0,1,0,0,0,0|1,0,0]=2 11 B19R2.285877 OC[C@H]1O[C@H]([C@H](C1O)O)n2c[15n][13c]([13c]2N)C(=O)N Amb17608117 [0,1,0,0,0,0|1,0,0]=2 12 B19R2.285877 OC[C@H]1O[C@H]([C@H](C1O)O)n2c[nH+]c(c2[O-])C(=O)N Amb17618033 [0,1,0,0,0,0|1,0,1]=3 13 B19R2.285877 OC[C@H]1O[C@H]([C@H](C1O)O)n2cnc(c2N)C(=O)N Amb17608116 [0,1,0,0,0,0|1,0,0]=2 14 B19R2.24762 OC[C@H]1O[C@H](C([C@H]1O)O)[n+]2cccc(c2)C(=O)N Amb17618326 [0,0,0,0,0,1|2,0,1]=4 15 B18R2.270652 C[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]2c[n]c(C(N)=O)c2N Amb24070985 [1,1,0,0,0,0|1,0,0]=3 16 B18R2.16852 NC=1C=NN(C2OC(CO)C(O)C2O)C(=O)N1 Amb19115431 [0,0,1,1,0,0|2,0,0]=4 17 B18R2.16852 NC=1C=NN([C@@H]2O[C@H](CO)C(O)C2O)C(=O)N1 Amb22800465 [0,0,1,1,0,0|2,0,0]=4 18 B18R2.16852 OC1C(OC(CO)C1O)N2C=CC(=O)NC2=S Amb22470686 [0,0,1,1,0,0|2,0,0]=4 19 B18R2.16852 OC1C(OC(CO)C1O)N2N=CC(=O)NC2=S Amb20665331 [0,0,1,1,0,0|1,0,0]=3 20 B18R2.16852 OC1[C@@H](O[C@H](CO)C1O)N2C=CC(=O)NC2=S Amb22800109 [0,0,1,1,0,0|2,0,0]=4 21 B18R2.16852 OC1[C@@H](O[C@H](CO)[C@@H]1O)N2C=CC(=O)NC2=S Amb19134067 [0,0,1,1,0,0|2,0,0]=4 22 B18R2.16852 OCC1OC(C(C1O)O)n2ncc(nc2=O)N Amb1269348 [0,0,1,1,0,0|2,0,0]=4 23 B18R2.16852 OCC1OC(C(O)C1O)N2C=CC(=O)NC2=O Amb19748304 [0,0,1,1,0,0|2,0,0]=4 24 B18R2.16852 OCC1OC(C(O)C1O)N2N=CC(=O)NC2=O Amb20665330 [0,0,1,1,0,0|1,0,0]=3 25 B18R2.16852 OCC1OC([C@@H](O)[C@H]1O)N2N=CC(=O)NC2=O Amb23479090 [0,0,1,1,0,0|1,0,0]=3 26 B18R2.16852 OC[C@@H]1O[C@@H]([C@@H](O)C1O)N2C=CC(=O)NC2=O Amb19130570 [0,0,1,1,0,0|2,0,0]=4 27 B18R2.16852 OC[C@@H]1O[C@@H]([C@@H](O)C1O)[15N]2C=CC(=O)[15NH][13C]2=O Amb19130571 [0,0,1,1,0,0|2,0,0]=4 28 B18R2.16852 OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)N2C=CC(=O)NC2=O Amb22752781 [0,0,1,1,0,0|2,0,0]=4 29 B18R2.16852 OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)N2N=CC(=O)NC2=O Amb22746177 [0,0,1,1,0,0|1,0,0]=3 30 B18R2.16852 OC[C@@H]1O[C@@H]([C@H]([C@H]1O)O)n2ccc(=O)[nH]c2=O Amb16202942 [0,0,1,1,0,0|2,0,0]=4 31 B18R2.16852 OC[C@@H]1O[C@H]([C@@H](O)[C@H]1O)N2C=CC(=O)NC2=O Amb22746465 [0,0,1,1,0,0|2,0,0]=4 32 B18R2.16852 OC[C@H]1OC([C@@H](O)[C@@H]1O)n2ccc(=O)[nH]c2=O Amb17943009 [0,0,1,1,0,0|2,0,0]=4 33 B18R2.16852 OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N2C=CC(=O)NC2=O Amb20240610 [0,0,1,1,0,0|2,0,0]=4 34 B18R2.16852 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O Amb20242382 [0,0,1,1,0,0|2,0,0]=4 35 B18R2.16852 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2N=CC(=O)NC2=O Amb22352507 [0,0,1,1,0,0|1,0,0]=3 36 B18R2.16852 O[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2N=CC(=O)NC2=S Amb22352310 [0,0,1,1,0,0|1,0,0]=3 37 B18R2.16856 OC[C@H]1O[C@H](C([C@H]1O)O)n2ncnc2C(=O)N Amb17616284 [0,0,0,0,1,1|0,0,0]=2