0 B7R0.6 CC(=O)CCC(O)=O T5551 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.6 CC(=O)NCC(O)=O T4822 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 NC(=N)NCC(O)=O T4238 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 NC(=O)/C=C\C(O)=O T4905 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 NC(=O)C#CC(N)=O T23872 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.6 OC(=O)/C=C/C(O)=O T2769 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.6 OC(=O)/C=C/C(O)=O T3763 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.6 OC(=O)/C=C\C(O)=O T4913 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.6 OC(=O)CCC(O)=O T2719 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.6 [O-]C(=O)/C=C/C([O-])=O T0001 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.6 [O-]C(=O)CCC([O-])=O T8073 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.4 OC(=O)CNC=O T4741 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.9 NCC(=O)CCC(O)=O T14047 [0,1,0,0,0,0|3,0,0]=4 13 B8R0.9 NCC(=O)CCC(O)=O T1662 [0,1,0,0,0,0|3,0,0]=4 14 B8R0.9 NCC(=O)NCC(O)=O T5286 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.23 NC(CC(N)=O)C(O)=O TN3877 [0,1,0,0,0,0|3,0,0]=4 16 B8R0.23 N[C@@H](CC(N)=O)C(O)=O T2O2774 [0,1,0,0,0,0|3,0,0]=4 17 B8R0.23 N[C@@H](CC(N)=O)C(O)=O T8392 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.23 N[C@H](CC(N)=O)C(O)=O TN3748 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.3 O=c1ccc(=O)[nH][nH]1 T20781 [0,0,0,1,0,0|2,0,0]=3 20 B6R0.2 CC(=O)CC([O-])=O T13528 [0,0,0,0,1,0|3,0,0]=4 21 B6R0.2 CC(=O)CC([O-])=O T4854 [0,0,0,0,1,0|3,0,0]=4 22 B6R0.2 NC(=N)NC(N)=N T30450 [0,0,0,0,1,0|2,0,1]=4 23 B6R0.2 OC(=O)CC(O)=O T5291 [0,0,0,0,1,0|3,0,0]=4 24 B6R0.2 [O-]C(=O)CC([O-])=O T28870 [0,0,0,0,1,0|3,0,0]=4 25 B8R0.28 NC(=O)NCCC(O)=O T4919 [0,0,0,0,0,1|2,0,1]=4 26 B9R0.7 C/C(=N/NC(N)=O)C(O)=O T34213 [0,1,0,0,0,1|1,0,1]=4 27 B9R0.7 N[C@@H](CCC(N)=O)C(N)=O T25454 [0,1,0,0,0,1|2,0,0]=4 28 B9R0.24 CNC(=O)CNC(=O)CN T13693 [0,2,0,0,0,0|1,0,1]=4 29 B7R1.2 O=C1NC(=O)C=C1 T4820 [1,0,0,1,0,0|2,0,0]=4 30 B7R1.3 Nc1nccnn1 T8826 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.69 Cc1n[nH]c(=O)[nH]c1=O T8648 [0,1,0,1,0,0|1,0,1]=4 32 B9R1.69 Nc1[nH]c(=O)ncc1Br T7466 [0,1,0,1,0,0|2,0,0]=4 33 B5R0.5 CC(=C)C(N)=O TN7113 [0,0,0,0,2,0|2,0,0]=4 34 B5R0.5 CC(=O)C(O)=O T4804 [0,0,0,0,2,0|2,0,0]=4 35 B5R0.5 CC(=O)C([O-])=O T7717 [0,0,0,0,2,0|2,0,0]=4 36 B5R0.5 NC(=O)C([O-])=O T19831 [0,0,0,0,2,0|1,0,0]=3 37 B5R0.5 OC(=O)C(O)=O T2O2680 [0,0,0,0,2,0|2,0,0]=4 38 B5R0.5 OC(=O)C(O)=O T5064 [0,0,0,0,2,0|2,0,0]=4