0 B19R3.2603 Nc1[n]c[n]c2c1[n]c[n]2C3C=CC(CO)O3 Amb22734336 [0,0,0,0,0,0|1,0,3]=4 1 B19R3.2603 Nc1[n]c[n]c2c1[n]c[n]2[C@@H]3CC[C@H](CO)O3 Amb22744917 [0,0,0,0,0,0|1,0,1]=2 2 B19R3.2603 OC[C@@H]1C=C[C@@H](O1)[n]2c[n]c3C(=O)N=CNc23 Amb22745092 [0,0,0,0,0,0|0,0,2]=2 3 B19R3.2603 OC[C@@H]1CCC(O1)[n@@]2c[n]c3C(=O)NC=Nc23 Amb22352588 [0,0,0,0,0,0|0,0,2]=2 4 B19R3.2603 OC[C@@H]1CCC(O1)n2cnc3c2nc[nH]c3=O Amb2444024 [0,0,0,0,0,0|0,0,2]=2 5 B19R3.2603 OC[C@@H]1CC[C@@H](O1)[n]2c[n]c3C(=O)NC=Nc23 Amb21855904 [0,0,0,0,0,0|0,0,2]=2 6 B19R3.2603 Oc1[n]c[n]c2c1[n]c[n]2C3CCC(CO)O3 Amb18135879 [0,0,0,0,0,0|0,0,2]=2 7 B19R3.2603 Oc1[n]c[n]c2c1[n]c[n]2[C@@H]3CC[C@H](CO)O3 Amb22746855 [0,0,0,0,0,0|0,0,2]=2 8 B18R3.2943 CC1CCC(O1)[n]2c[n]c3c2[n]c[n]c3N Amb20248399 [1,0,0,0,0,0|1,0,1]=3 9 B20R3.38055 NC=1NC(=O)c2[n]c[n]([C@@H]3CC[C@H](CO)O3)c2N1 Amb22745028 [0,1,0,0,0,0|0,0,2]=3 10 B20R3.38055 NC=1Nc2c([n]c[n]2C3CC(CO)C=C3)C(=O)N1 Amb19131108 [0,1,0,0,0,0|1,0,2]=4 11 B20R3.38975 N[C@H]1C[C@@H](O[C@@H]1CO)[n]2c[n]c3c2[n]c[n]c3O Amb24091922 [0,1,0,0,0,0|0,0,2]=3 12 B20R3.38975 Nc1[n]c[n]c2c1[n]c[n]2[C@@H]3C[C@H](O)[C@@H](CO)O3 Amb22752773 [0,1,0,0,0,0|1,0,1]=3 13 B20R3.38975 Nc1[n]c[n]c2c1cc[n]2[C@@H]3C[C@H](O)[C@@H](CO)O3 Amb22757267 [0,1,0,0,0,0|2,0,1]=4 14 B20R3.38975 Nc1[n]ccc2c1[n]c[n]2[C@@H]3C[C@H](O)[C@@H](CO)O3 Amb22757266 [0,1,0,0,0,0|2,0,0]=3 15 B20R3.38975 OC1CC(OC1CO)[n]2c[n]c3c2N=CNC3=O Amb21934608 [0,1,0,0,0,0|0,0,2]=3 16 B20R3.38975 OC1CC(OC1CO)[n]2c[n]c3c2NC=NC3=O Amb21934168 [0,1,0,0,0,0|0,0,0]=1 17 B20R3.38975 OC1CC(OC1CO)[n]2c[n]c3c2NC=NC3=S Amb22362801 [0,1,0,0,0,0|0,1,0]=2 18 B20R3.38975 OC[C@@H]1O[C@@H](CC1O)n2cnc3c2ncnc3N Amb17611813 [0,1,0,0,0,0|1,0,1]=3 19 B20R3.38975 OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3c2ncnc3O Amb10603589 [0,1,0,0,0,0|0,0,2]=3 20 B20R3.38975 O[C@@H]1C[C@@H](O[C@H]1CO)[n]2c[n]c3c2[n]c[n]c3Cl Amb22750673 [0,1,0,0,0,0|1,0,1]=3 21 B20R3.38975 O[C@H]1C[C@@H](O[C@@H]1CO)[n]2c[n]c3c2N=CNC3=O Amb20665294 [0,1,0,0,0,0|0,0,2]=3 22 B20R3.38975 O[C@H]1C[C@@H](O[C@@H]1CO)[n]2c[n]c3c2NC=NC3=O Amb21855715 [0,1,0,0,0,0|0,0,0]=1 23 B20R3.38975 O[C@H]1C[C@@H](O[C@@H]1CO)[n]2c[n]c3c2[n]c[n]c3Cl Amb22388481 [0,1,0,0,0,0|1,0,1]=3 24 B20R3.38975 Oc1[n]c[n]c2c1[n]c[n]2[C@@H]3C[C@@H](O)[C@H](CO)O3 Amb22744891 [0,1,0,0,0,0|0,0,2]=3 25 B20R3.432739 Nc1[n]c[n]c2c1[n]c[n]2[C@@H]3O[C@H](CO)C[C@@H]3F Amb22799525 [0,1,0,0,0,0|1,0,1]=3 26 B20R3.432739 OC[C@@H]1CC([C@@H](O1)n2cnc3c2ncnc3N)O Amb17611314 [0,1,0,0,0,0|1,0,1]=3 27 B20R3.432739 O[13CH2][13C@@H]1[13CH2][13C@@H]([13C@@H](O1)n2cnc3c2ncnc3N)O Amb17611315 [0,1,0,0,0,0|1,0,1]=3 28 B20R3.432739 Oc1[n]c[n]c2c1[n]c[n]2[C@@H]3O[C@@H](C[C@H]3O)CO Amb22756310 [0,1,0,0,0,0|0,0,2]=3 29 B17R3.4412 Nc1[n]c[n]c2c1[n]c[n]2C3CCCO3 Amb18654979 [2,0,0,0,0,0|1,0,1]=4 30 B19R2.988765 NC=1Nc2c([n]c[n]2CCC(CO)CO)C(=O)N1 Amb22166859 [0,1,1,0,0,0|2,0,0]=4 31 B19R2.988765 NC=1Nc2c([n]c[n]2COC(CO)CO)C(=O)N1 Amb19372802 [0,1,1,0,0,0|1,0,0]=3 32 B19R3.2992970 C[C@@H]1O[C@@H](C[C@H]1O)[n]2c[n]c3c(N)[n]c[n]c23 Amb22745422 [1,1,0,0,0,0|1,0,1]=4 33 B21R3.10351432 CNc1[n]c[n]c2c1[n]c[n]2[C@@H]3C[C@@H](O)[C@H](CO)O3 Amb22752788 [0,2,0,0,0,0|1,0,1]=4 34 B21R3.2668381 Nc1[n]c[n]c2c1[n]c(Br)[n]2[C@@H]3C[C@@H](O)[C@H](CO)O3 Amb22752779 [0,2,0,0,0,0|1,0,1]=4 35 B21R3.2668381 OCC1OC(CC1O)n2c(Br)nc3c2ncnc3N Amb1787613 [0,2,0,0,0,0|1,0,1]=4 36 B21R3.2668381 OC[C@H]1O[C@H](C[C@@H]1O)n2c(Br)nc3c2ncnc3N Amb1965940 [0,2,0,0,0,0|1,0,1]=4 37 B21R3.2674446 N=C1NC(=O)c2[n]c[n@@](C3C[C@@H](F)[C@H](CO)O3)c2N1 Amb22801749 [0,2,0,0,0,0|0,0,1]=3 38 B21R3.2674446 N=C1NC(=O)c2[n]c[n](C3CC(O)C(CO)O3)c2N1 Amb18363429 [0,2,0,0,0,0|0,0,1]=3 39 B21R3.2674446 NC=1NC(=O)c2[n]c[n](C3CC(O)C(CO)O3)c2N1 Amb19737279 [0,2,0,0,0,0|0,0,2]=4 40 B21R3.2674446 NC=1NC(=O)c2[n]c[n]([C@@H]3C[C@@H](O)[C@H](CO)O3)c2N1 Amb22744876 [0,2,0,0,0,0|0,0,2]=4 41 B21R3.2674446 NC=1NC(=O)c2[n]c[n]([C@@H]3C[C@@H](O)[C@H](CO)O3)c2N1 Amb22823234 [0,2,0,0,0,0|0,0,2]=4 42 B21R3.2674446 NC=1NC(=O)c2[n]c[n]([C@@H]3C[C@@H](O)[C@H](CO)O3)c2N1 Amb24179222 [0,2,0,0,0,0|0,0,2]=4 43 B21R3.2674446 NC=1NC(=O)c2[n]c[n]([C@@H]3C[C@H](O)[C@@H](CO)O3)c2N1 Amb22752785 [0,2,0,0,0,0|0,0,2]=4 44 B21R3.2674446 NC=1NC(=O)c2[n]c[n]([C@@H]3C[C@H](O)[C@H](CO)O3)c2N1 Amb19131543 [0,2,0,0,0,0|0,0,2]=4 45 B21R3.2674446 NC=1NC(=O)c2[n]c[n]([C@H]3C[C@H](O)[C@@H](CO)O3)c2N1 Amb21855752 [0,2,0,0,0,0|0,0,2]=4 46 B21R3.2674446 NC=1NC(=O)c2[n]c[n]([C@H]3C[C@H](O)[C@@H](CO)O3)c2N1 Amb22349512 [0,2,0,0,0,0|0,0,2]=4 47 B21R3.2674446 NC=1Nc2c([n]c[n]2C3CC(O)C(CO)O3)C(=O)N1 Amb22352774 [0,2,0,0,0,0|0,0,0]=2 48 B21R3.2674446 NC=1Nc2c([n]c[n]2[C@@H]3C[C@@H](O)[C@@H](CO)O3)C(=O)N1 Amb22745770 [0,2,0,0,0,0|0,0,0]=2 49 B21R3.2674446 NC=1Nc2c(cc[n]2[C@@H]3C[C@H](O)[C@@H](CO)O3)C(=O)N1 Amb22757268 [0,2,0,0,0,0|1,0,0]=3 50 B21R3.2674446 Nc1[n]c(Cl)[n]c2c1[n]c[n]2C3CC(O)C(CO)O3 Amb22349662 [0,2,0,0,0,0|1,0,1]=4 51 B21R3.2674446 Nc1[n]c(Cl)c2[n]c[n]([C@@H]3C[C@H](O)[C@@H](CO)O3)c2[n]1 Amb22747586 [0,2,0,0,0,0|1,0,1]=4 52 B21R3.2674446 Nc1[n]c(F)[n]c2c1[n]c[n]2[C@H]3C[C@H](N)[C@@H](CO)O3 Amb24091878 [0,2,0,0,0,0|1,0,1]=4 53 B21R3.2674446 Nc1[n]c(F)[n]c2c1[n]c[n]2[C@H]3C[C@H](O)[C@@H](CO)O3 Amb24076489 [0,2,0,0,0,0|1,0,1]=4 54 B21R3.2674446 Nc1[n]c(I)c2[n]c[n]([C@@H]3C[C@@H](O)[C@H](CO)O3)c2[n]1 Amb24107514 [0,2,0,0,0,0|1,0,1]=4 55 B21R3.2674446 Nc1[n]c(N)[n]c2c1[n]c[n]2[C@@H]3C[C@@H](O)[C@H](CO)O3 Amb22746404 [0,2,0,0,0,0|1,0,1]=4 56 B21R3.2674446 OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3c2nc(N)[nH]c3=O Amb16232197 [0,2,0,0,0,0|0,0,2]=4 57 B21R3.2674446 [15NH2][13C]1=Nc2c([n]c[n]2[C@@H]3C[C@H](O)[C@H](CO)O3)C(=O)[15NH]1 Amb19131544 [0,2,0,0,0,0|0,0,2]=4 58 B21R3.10020545 NC=1NC(=O)c2[n]c[n]([C@@H]3O[C@@H](C[C@H]3O)CO)c2N1 Amb23438830 [0,2,0,0,0,0|0,0,2]=4 59 B21R3.10020545 NC=1Nc2c([n]c[n]2C3OC(CC3O)CO)C(=O)N1 Amb22349601 [0,2,0,0,0,0|0,0,0]=2 60 B21R3.65411 Cc1[n]c[n]c2c1[n]c[n]2C3OC(CO)C(O)C3O Amb22733667 [0,2,0,0,0,0|1,0,1]=4 61 B21R3.65411 Nc1[n]c[n]c2c1[n]c[n]2C3OC(CO)C(O)C3O Amb22732262 [0,2,0,0,0,0|1,0,1]=4 62 B21R3.65411 Nc1[n]c[n]c2c1[n]c[n]2[C@@H]3O[C@@H](CO)[C@H](O)[C@@H]3O Amb22349825 [0,2,0,0,0,0|1,0,1]=4 63 B21R3.65411 Nc1[n]c[n]c2c1[n]c[n]2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3F Amb22008567 [0,2,0,0,0,0|1,0,1]=4 64 B21R3.65411 Nc1[n]c[n]c2c1[n]c[n]2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N Amb22745388 [0,2,0,0,0,0|1,0,1]=4 65 B21R3.65411 Nc1[n]ccc2c1[n]c[n]2C3OC(CO)C(O)C3O Amb22734986 [0,2,0,0,0,0|2,0,0]=4 66 B21R3.65411 Nc1[n]ccc2c1[n]c[n]2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O Amb22350188 [0,2,0,0,0,0|2,0,0]=4 67 B21R3.65411 OCC1OC(C(C1F)O)n2cnc3c2ncnc3N Amb1159537 [0,2,0,0,0,0|1,0,1]=4 68 B21R3.65411 OCC1OC(C(C1O)O)n2cnc3c2ncnc3N Amb1953569 [0,2,0,0,0,0|1,0,1]=4 69 B21R3.65411 OCC1OC(C(C1O)O)n2cnc3c2ncnc3O Amb1003323 [0,2,0,0,0,0|0,0,2]=4 70 B21R3.65411 OCC1OC(C(O)C1O)[n]2[n]cc3C(=O)N=CNc23 Amb22352350 [0,2,0,0,0,0|2,0,0]=4 71 B21R3.65411 OCC1OC(C(O)C1O)[n]2c[n]c3C(=O)N=CNc23 Amb21933578 [0,2,0,0,0,0|0,0,0]=2 72 B21R3.65411 OCC1OC(C(O)C1O)[n]2c[n]c3C(=O)NC=Nc23 Amb19748181 [0,2,0,0,0,0|0,0,2]=4 73 B21R3.65411 OCC1OC(C(O)C1O)[n]2c[n]c3C(=S)N=CNc23 Amb21934164 [0,2,0,0,0,0|0,1,0]=3 74 B21R3.65411 OC[C@@H]1OC([C@@H](O)[C@H]1O)[n]2c[n]c3C(=O)N=CNc23 Amb24273741 [0,2,0,0,0,0|0,0,0]=2 75 B21R3.65411 OC[C@@H]1OC([C@@H](O)[C@H]1O)[n]2c[n]c3c(Cl)[n]c[n]c23 Amb22757261 [0,2,0,0,0,0|1,0,1]=4 76 B21R3.65411 OC[C@@H]1O[C@@H](C(O)[C@@H]1O)[n]2c[n]c3c(Cl)[n]c[n]c23 Amb19131249 [0,2,0,0,0,0|1,0,1]=4 77 B21R3.65411 OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[n]2c[n]c3C(=O)NC=Nc23 Amb22752791 [0,2,0,0,0,0|0,0,2]=4 78 B21R3.65411 OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[n]2c[n]c3c(Cl)[n]c[n]c23 Amb24180946 [0,2,0,0,0,0|1,0,1]=4 79 B21R3.65411 OC[C@@H]1O[C@@H]([C@H](O)C1O)[n]2c[15n][13c]3c(O)[n]c[n][13c]23 Amb19132788 [0,2,0,0,0,0|0,0,2]=4 80 B21R3.65411 OC[C@@H]1O[C@@H]([C@H](O)C1O)[n]2c[n]c3C(=S)N=CNc23 Amb19133015 [0,2,0,0,0,0|0,1,0]=3 81 B21R3.65411 OC[C@H]1O[C@H](C(C1O)O)n2cnc3c2ncnc3O Amb10241347 [0,2,0,0,0,0|0,0,2]=4 82 B21R3.65411 OC[C@H]1O[C@H]([C@H](C1O)O)n2cnc3c2ccnc3N Amb17611608 [0,2,0,0,0,0|2,0,0]=4 83 B21R3.65411 OC[C@H]1O[C@H]([C@H](C1O)O)n2cnc3c2ncnc3N Amb17607716 [0,2,0,0,0,0|1,0,1]=4 84 B21R3.65411 OC[C@H]1O[C@H]([C@H](C1O)O)n2cnc3c2ncnc3O Amb17616088 [0,2,0,0,0,0|0,0,2]=4 85 B21R3.65411 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]2c[n]c3C(=O)N=CNc23 Amb21855716 [0,2,0,0,0,0|0,0,0]=2 86 B21R3.65411 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]2c[n]c3C(=O)NC=Nc23 Amb20240614 [0,2,0,0,0,0|0,0,2]=4 87 B21R3.65411 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n]2c[n]c3c2N=CNC3=O Amb20243159 [0,2,0,0,0,0|0,0,2]=4 88 B21R3.65411 OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n2cnc3c2ncnc3N Amb13889604 [0,2,0,0,0,0|1,0,1]=4 89 B21R3.65411 O[13CH2][13C@H]1O[13C@H]([13C@H]([13CH]1O)O)n2cnc3c2ncnc3N Amb17607717 [0,2,0,0,0,0|1,0,1]=4