0 B19R2.988765 NC=1NC(=O)c2[n]c[n](CCC(CO)CF)c2N1 Amb22497263 [0,0,0,0,0,0|2,0,0]=2 1 B19R2.988765 NC=1NC(=O)c2[n]c[n](CCC(CO)CO)c2N1 Amb18667442 [0,0,0,0,0,0|1,0,0]=1 2 B19R2.988765 NC=1NC(=O)c2[n]c[n](COC(CO)CO)c2N1 Amb19132435 [0,0,0,0,0,0|0,0,0]=0 3 B19R2.988765 NC=1Nc2c([n]c[n]2CCC(CO)CO)C(=O)N1 Amb22166859 [0,0,0,0,0,0|1,0,2]=3 4 B19R2.988765 NC=1Nc2c([n]c[n]2COC(CO)CO)C(=O)N1 Amb19372802 [0,0,0,0,0,0|0,0,2]=2 5 B19R2.988765 OCC(OCn1cnc2c1nc(N)nc2[O-])CO Amb15691448 [0,0,0,0,0,0|0,0,2]=2 6 B18R2.540656 OCC(CCn1cnc2c1nc(N)nc2)CO Amb17611923 [1,0,0,0,0,0|1,0,1]=3 7 B20R3.38055 NC=1NC(=O)c2[n]c[n]([C@@H]3CC[C@H](CO)O3)c2N1 Amb22745028 [0,0,0,1,0,0|1,0,0]=2 8 B17R2.298677 NC=1NC(=O)c2[n]c[n](COCCO)c2N1 Amb19748221 [2,0,0,0,0,0|0,0,0]=2 9 B17R2.298677 NC=1NC(=O)c2[n]c[n](COCC[O-])c2N1 Amb19958030 [2,0,0,0,0,0|0,0,1]=3 10 B17R2.298677 NC=1NC(=O)c2[n]c[n](COCC[O-])c2N1 Amb22900793 [2,0,0,0,0,0|0,0,1]=3 11 B17R2.298677 NC=1Nc2c([n]c[n]2COCCO)C(=O)N1 Amb19871494 [2,0,0,0,0,0|0,0,2]=4 12 B17R2.298677 OCCOCn1cnc2c1nc(N)nc2[O-] Amb15691455 [2,0,0,0,0,0|0,0,2]=4 13 B19R3.2603 OC[C@@H]1CCC(O1)[n@@]2c[n]c3C(=O)NC=Nc23 Amb22352588 [1,0,0,1,0,0|1,0,0]=3 14 B19R3.2603 OC[C@@H]1CCC(O1)n2cnc3c2nc[nH]c3=O Amb2444024 [1,0,0,1,0,0|1,0,0]=3 15 B19R3.2603 OC[C@@H]1CC[C@@H](O1)[n]2c[n]c3C(=O)NC=Nc23 Amb21855904 [1,0,0,1,0,0|1,0,0]=3 16 B21R3.2674446 N=C1NC(=O)c2[n]c[n](C3CC(O)C(CO)O3)c2N1 Amb18363429 [0,1,0,1,0,0|0,0,2]=4 17 B21R3.2674446 NC=1NC(=O)c2[n]c[n](C3CC(O)C(CO)O3)c2N1 Amb19737279 [0,1,0,1,0,0|0,0,0]=2 18 B21R3.2674446 NC=1NC(=O)c2[n]c[n]([C@@H]3C[C@@H](O)[C@H](CO)O3)c2N1 Amb22744876 [0,1,0,1,0,0|0,0,0]=2 19 B21R3.2674446 NC=1NC(=O)c2[n]c[n]([C@@H]3C[C@@H](O)[C@H](CO)O3)c2N1 Amb22823234 [0,1,0,1,0,0|0,0,0]=2 20 B21R3.2674446 NC=1NC(=O)c2[n]c[n]([C@@H]3C[C@@H](O)[C@H](CO)O3)c2N1 Amb24179222 [0,1,0,1,0,0|0,0,0]=2 21 B21R3.2674446 NC=1NC(=O)c2[n]c[n]([C@@H]3C[C@H](O)[C@@H](CO)O3)c2N1 Amb22752785 [0,1,0,1,0,0|0,0,0]=2 22 B21R3.2674446 NC=1NC(=O)c2[n]c[n]([C@@H]3C[C@H](O)[C@H](CO)O3)c2N1 Amb19131543 [0,1,0,1,0,0|0,0,0]=2 23 B21R3.2674446 NC=1NC(=O)c2[n]c[n]([C@H]3C[C@H](O)[C@@H](CO)O3)c2N1 Amb21855752 [0,1,0,1,0,0|0,0,0]=2 24 B21R3.2674446 NC=1NC(=O)c2[n]c[n]([C@H]3C[C@H](O)[C@@H](CO)O3)c2N1 Amb22349512 [0,1,0,1,0,0|0,0,0]=2 25 B21R3.2674446 NC=1Nc2c([n]c[n]2C3CC(O)C(CO)O3)C(=O)N1 Amb22352774 [0,1,0,1,0,0|0,0,2]=4 26 B21R3.2674446 NC=1Nc2c([n]c[n]2[C@@H]3C[C@@H](O)[C@@H](CO)O3)C(=O)N1 Amb22745770 [0,1,0,1,0,0|0,0,2]=4 27 B21R3.2674446 Nc1[n]c(Cl)c2[n]c[n]([C@@H]3C[C@H](O)[C@@H](CO)O3)c2[n]1 Amb22747586 [0,1,0,1,0,0|1,0,1]=4 28 B21R3.2674446 Nc1[n]c(I)c2[n]c[n]([C@@H]3C[C@@H](O)[C@H](CO)O3)c2[n]1 Amb24107514 [0,1,0,1,0,0|1,0,1]=4 29 B21R3.2674446 Nc1[n]c(N)[n]c2c1[n]c[n]2[C@@H]3C[C@@H](O)[C@H](CO)O3 Amb22746404 [0,1,0,1,0,0|1,0,1]=4 30 B21R3.2674446 OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3c2nc(N)[nH]c3=O Amb16232197 [0,1,0,1,0,0|0,0,0]=2 31 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 [0,1,0,1,0,0|0,0,0]=2 32 B21R3.1016053 NC=1NC(=O)c2[n]c[n]([C@@H]3CC(CO)[C@@H]3CO)c2N1 Amb19132955 [0,1,0,1,0,0|1,0,0]=3 33 B21R3.1016053 NC=1NC(=O)c2[n]c[n]([C@@H]3C[C@H](CO)[C@H]3CO)c2N1 Amb22750664 [0,1,0,1,0,0|1,0,0]=3 34 B21R3.10020545 NC=1NC(=O)c2[n]c[n]([C@@H]3O[C@@H](C[C@H]3O)CO)c2N1 Amb23438830 [0,1,0,1,0,0|0,0,0]=2 35 B21R3.10020545 NC=1Nc2c([n]c[n]2C3OC(CC3O)CO)C(=O)N1 Amb22349601 [0,1,0,1,0,0|0,0,2]=4 36 B19R2.1407040 NC=1NC(=O)c2[n]c[n](COCC(O)CO)c2N1 Amb22055562 [1,0,0,0,0,1|0,0,0]=2 37 B21R2.4707133 NC=1NC(=O)c2[n]c[n](COCOC(CO)CO)c2N1 Amb22055339 [0,0,0,0,0,2|0,0,0]=2