0 B7R0.6 CC(=O)OCC(=O)Cl BB12-3445 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 N=C(N)SCC(=O)O BB55-4565 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 NC(=O)NNC(N)=O BB12-2767 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.9 CCC(=O)CCC(=O)O BB57-6622 [0,1,0,0,0,0|1,0,2]=4 4 B8R0.9 CCC(=O)NCC(=O)O BB55-4733 [0,1,0,0,0,0|2,0,1]=4 5 B8R0.9 NCC(=O)CCC(=O)O BB57-4885 [0,1,0,0,0,0|1,0,2]=4 6 B8R0.23 C=C(NC(C)=O)C(=O)O BB01-7568 [0,1,0,0,0,0|2,0,0]=3 7 B8R0.23 CN(CC(=O)O)C(N)=O BB57-2505 [0,1,0,0,0,0|2,0,1]=4 8 B8R1.3 O=C1C=CC(Cl)=NN1 BB53-1390 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.3 O=C1C=CC(O)OC1 BB54-5359 [0,0,0,1,0,0|1,0,2]=4 10 B8R1.3 OC1=CC=C(Cl)N=N1 BB01-7649 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.3 OC1=CC=C(O)N=C1 BB58-0792 [0,0,0,1,0,0|2,0,0]=3 12 B6R0.2 CC(C)=CC(=O)O BB01-7468 [0,0,0,0,1,0|2,0,0]=3 13 B6R0.2 NC(=O)CC(=O)O BB55-4726 [0,0,0,0,1,0|1,0,1]=3 14 B8R0.28 NC(=O)CCCC(=O)O BB12-2466 [0,0,0,0,0,1|1,0,2]=4 15 B8R0.28 NC(=O)COCC(=O)O BB12-2362 [0,0,0,0,0,1|1,0,2]=4 16 B5R0.2 O=CNNC=O BB12-1708 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.5 CC(NC=O)C(=O)O BB12-1345 [1,1,0,0,0,0|1,0,1]=4 18 B7R0.16 CC(C(=O)O)C(=O)O BB20-4558 [0,1,0,0,1,0|0,0,1]=3 19 B9R0.7 C\C(=N/NC(N)=O)C(=O)O BB55-4652 [0,1,0,0,0,1|2,0,0]=4 20 B7R1.2 BrC1=CC=C(Br)O1 BB57-2079 [1,0,0,1,0,0|2,0,0]=4 21 B7R1.2 O=[13C]1CC[13C](=O)O1 BB54-5289 [1,0,0,1,0,0|0,0,2]=4 22 B9R1.35 CC(=O)C1=CN=C(N)O1 BB57-6487 [0,0,0,1,0,1|2,0,0]=4 23 B9R1.35 CC1=CC(C(=O)O)=CS1 BB55-0634 [0,0,0,1,0,1|2,0,0]=4 24 B9R1.35 CC1=CNC(C(=O)O)=N1 BB12-3671 [0,0,0,1,0,1|2,0,0]=4 25 B9R1.35 CC1=NC(C(=O)O)=CS1 BB01-2835 [0,0,0,1,0,1|2,0,0]=4 26 B9R1.35 CC1=NC=C(C(=O)O)N1 BB90-0104 [0,0,0,1,0,1|2,0,0]=4 27 B9R1.35 CC1=NC=C(C(=O)O)S1 BB57-5871 [0,0,0,1,0,1|1,1,0]=4 28 B9R1.35 NC(=O)C1=CC=C(Br)O1 BB55-4785 [0,0,0,1,0,1|2,0,0]=4 29 B9R1.35 NC1=NC(C(=O)O)=CS1 BB55-6527 [0,0,0,1,0,1|2,0,0]=4 30 B9R1.35 NC1=NC=C(C(=O)O)S1 BB57-4014 [0,0,0,1,0,1|1,1,0]=4 31 B9R1.35 NC1=NN=C(C(=O)O)O1 BB57-2153 [0,0,0,1,0,1|2,0,0]=4 32 B9R1.35 O=C(O)C1=CC(Br)=CS1 BB05-1234 [0,0,0,1,0,1|2,0,0]=4 33 B9R1.35 O=C(O)C1=CC(Br)=CS1 BB55-0644 [0,0,0,1,0,1|2,0,0]=4 34 B9R1.35 O=C(O)C1=CSC(Br)=N1 BB58-0325 [0,0,0,1,0,1|2,0,0]=4 35 B9R1.35 O=C(O)C1=NNC(O)=N1 BB54-1874 [0,0,0,1,0,1|2,0,0]=4 36 B9R1.35 O=C1N=C(C(=O)O)NN1 BB54-3676 [0,0,0,1,0,1|2,0,0]=4 37 B9R1.35 O=C1NC=C(C(=O)O)N1 BB26-0164 [0,0,0,1,0,1|1,0,0]=3 38 B9R1.35 O=C1NC=C(C(=O)O)N1 BB58-0110 [0,0,0,1,0,1|1,0,0]=3 39 B9R1.35 O=C1NN=C(C(=O)O)N1 BB12-3315 [0,0,0,1,0,1|2,0,0]=4 40 B9R1.1 OCC1=CC=C(O)N=C1 BB57-1801 [0,1,0,1,0,0|2,0,0]=4 41 B9R1.69 CC1=CC(=O)C(O)=CO1 BB26-0385 [0,1,0,1,0,0|2,0,0]=4 42 B9R0.55 O=C(O)CNNCC(=O)O BB58-2136 [0,0,0,0,0,2|0,0,2]=4