0 B7R0.6 CC(=O)CCC(=O)O 11206 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.6 CC(=O)CNC(C)=O 16497 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 CC(=O)NCC(=O)O 8849 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 CC(=O)NNC(C)=O 23969 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.6 CC(=O)OCC(=O)Cl 20920 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.6 NC(=S)NNC(N)=S 15711 [0,0,0,0,0,0|0,2,2]=4 6 B7R0.6 O=C(Cl)\C=C\C(=O)Cl 1930 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.6 O=C(O)C#CC(=O)O 13735 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.6 O=C(O)\C=C\C(=O)O 21784 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.9 NCC(=O)CCC(=O)O 29927 [0,1,0,0,0,0|3,0,0]=4 10 B8R0.9 NCC(=O)NCC(=O)O 14973 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.23 NC(=O)CC(N)C(=O)O 15167 [0,1,0,0,0,0|3,0,0]=4 12 B8R0.23 NC(=O)C[C@@H](N)C(=O)O 15169 [0,1,0,0,0,0|3,0,0]=4 13 B8R0.23 NC(=O)C[C@@H](N)C(=O)O 20981 [0,1,0,0,0,0|3,0,0]=4 14 B8R0.23 NC(=O)C[C@H](N)C(=O)O 15166 [0,1,0,0,0,0|3,0,0]=4 15 B8R0.23 NC(=O)C[C@H](N)C(=O)O 24959 [0,1,0,0,0,0|3,0,0]=4 16 B8R0.23 [*]C(=O)[C@@H](N)CC(N)=O 24967 [0,1,0,0,0,0|3,0,0]=4 17 B8R1.3 NC1=CC=C(Br)N=N1 26622 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.3 NC1=CC=C(Cl)N=N1 9496 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.3 NC1=CN=C(N)C=C1 13202 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.3 NC1=CN=C(N)C=C1 5497 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.3 O=C1CCC(=O)NC1 20071 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.3 O=C1N=CC(Br)=CN1 6903 [0,0,0,1,0,0|3,0,0]=4 23 B6R0.2 CC(=O)NC(=N)N 3986 [0,0,0,0,1,0|2,0,1]=4 24 B6R0.2 CC(=O)\C=C(/C)N 12810 [0,0,0,0,1,0|3,0,0]=4 25 B6R0.2 NC(=O)C[N+](=O)[O-] 33395 [0,0,0,0,1,0|3,0,0]=4 26 B6R0.2 O=C(O)CC(=O)O 35063 [0,0,0,0,1,0|3,0,0]=4 27 B5R0.1 NCCC(N)=O 18936 [2,0,0,0,0,0|1,0,1]=4 28 B7R0.16 NC(=O)C(N)C(N)=O 24631 [0,1,0,0,1,0|1,0,0]=3 29 B7R1.2 CC1=NN=C(N)N1 33558 [1,0,0,1,0,0|1,0,0]=3 30 B7R1.2 CC1=NOC(=O)N1 22560 [1,0,0,1,0,0|2,0,0]=4 31 B7R1.2 NC1=NN=C(Br)S1 20972 [1,0,0,1,0,0|1,1,0]=4 32 B7R1.2 NC1=NN=C(Cl)S1 22222 [1,0,0,1,0,0|1,1,0]=4 33 B7R1.2 NC1=NN=C(S)S1 14479 [1,0,0,1,0,0|0,2,0]=4 34 B7R1.2 NC1=NNC(=O)N1 17706 [1,0,0,1,0,0|0,0,1]=3 35 B7R1.2 NC1=NNC(N)=N1 25649 [1,0,0,1,0,0|1,0,1]=4 36 B7R1.2 O=C1CCC(=O)N1 13765 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.2 O=C1CSC(=O)N1 17487 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.3 NC1=CC=CN=N1 16747 [1,0,0,1,0,0|2,0,0]=4 39 B7R1.3 NC1=CC=CN=N1 9538 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.69 NC1=NNC(=O)NC1=O 22939 [0,1,0,1,0,0|0,0,1]=3 41 B9R1.69 O=C1NN=C(Br)C(=O)N1 22937 [0,1,0,1,0,0|1,0,1]=4 42 B9R1.69 O=C1NN=C(S)C(=O)N1 15772 [0,1,0,1,0,0|1,0,1]=4 43 B5R0.5 CC(=O)C(=O)O 18177 [0,0,0,0,2,0|2,0,0]=4 44 B5R0.5 C[C@@H](N)C(N)=O 12667 [0,0,0,0,2,0|1,0,1]=4 45 B5R0.5 C[C@H](N)C(N)=O 5715 [0,0,0,0,2,0|1,0,1]=4 46 B5R0.5 NC(=O)C(N)=O 17273 [0,0,0,0,2,0|0,0,0]=2 47 B5R0.5 NC(=S)C(N)=S 20269 [0,0,0,0,2,0|0,2,0]=4 48 B5R0.5 O=C(O)C(=O)O 17416 [0,0,0,0,2,0|2,0,0]=4 49 B5R0.5 O=C(O)C(=O)O 22393 [0,0,0,0,2,0|2,0,0]=4