0 B8R0.23 C=C(CC(=O)O)C(=O)O BBL011584 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.23 CC(=O)NC(C)C(=O)O BBL007614 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.23 CC(NC(N)=O)C(=O)O BBL027929 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.23 CN(CC(=O)O)C(=N)N BBL012187 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.23 C\C(=C/C(=O)O)C(=O)O BBL023435 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.23 NC(CC(=O)O)C(=O)O BBL002458 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.23 O=C(O)CC(S)C(=O)O BBL011516 [0,0,0,0,0,0|0,1,0]=1 7 B7R0.6 CC(=O)CCC(=O)O BBL027404 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.6 CC(=O)CCC(C)=O BBL027731 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.6 CC(=O)NCC(=O)O BBL020087 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.6 N=C(N)SCC(=O)O BBL013310 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.6 O=C(O)C#CC(=O)O BBL011589 [1,0,0,0,0,0|0,0,2]=3 12 B7R0.6 O=C(O)CCC(=O)O BBL002473 [1,0,0,0,0,0|0,0,0]=1 13 B7R0.6 O=C([O-])C#CC(=O)O BBL011590 [1,0,0,0,0,0|0,0,3]=4 14 B9R0.23 COC(=O)C(=O)CC(C)=O BBL027990 [0,1,0,0,0,0|1,0,2]=4 15 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O BBL001759 [0,1,0,0,0,0|1,0,0]=2 16 B9R0.79 O=C(O)C(O)C(O)C(=O)O BBL011588 [0,1,0,0,0,0|0,0,0]=1 17 B9R1.35 O=C(O)C1CC(O)CN1 BBL001541 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.35 O=C1CCC(C(=O)O)N1 BBL011576 [0,0,0,1,0,0|3,0,0]=4 19 B7R0.16 CC(=O)C(Cl)C(C)=O BBL011522 [0,0,0,0,1,0|3,0,0]=4 20 B7R0.16 CC(C(=O)O)C(=O)O BBL027393 [0,0,0,0,1,0|1,0,0]=2 21 B7R0.16 CC(O)C(N)C(=O)O BBL011585 [0,0,0,0,1,0|2,0,1]=4 22 B9R0.7 O=C(O)CCC(=O)C(=O)O BBL010614 [0,0,0,0,0,1|0,0,2]=3 23 B9R0.53 C\C(=C/C(=O)O)CC(=O)O BBL029414 [0,0,0,0,0,1|1,0,1]=3 24 B9R0.53 NN(CC(=O)O)CC(=O)O BBL011592 [0,0,0,0,0,1|2,0,0]=3 25 B9R0.53 O=C(O)CC(=O)CC(=O)O BBL027398 [0,0,0,0,0,1|0,0,2]=3 26 B6R0.2 CC(C)CC(=O)O BBL027399 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.2 CC(O)CC(=O)O BBL027467 [2,0,0,0,0,0|0,0,1]=3 28 B6R0.4 C=CCCC(=O)O BBL027458 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.4 NCCCC(=O)O BBL008590 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.3 CCC(Br)C(=O)O BBL011564 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.3 CCC(N)C(=O)O BBL012213 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.3 NC(CO)C(=O)O BBL012102 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.3 NC(CS)C(=O)O BBL012104 [2,0,0,0,0,0|1,1,0]=4 34 B8R0.9 COC(=O)CCC(C)=O BBL011529 [1,1,0,0,0,0|1,0,0]=3 35 B8R0.9 NCC(=O)NCC(=O)O BBL018705 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.9 O=C(O)CNC(=O)CCl BBL027867 [1,1,0,0,0,0|2,0,0]=4 37 B8R0.18 CCC(C(=O)O)C(=O)O BBL019763 [0,1,0,0,1,0|1,0,0]=3 38 B10R0.82 COC(=O)CCC(N)C(=O)O BBL019361 [0,1,0,0,0,1|1,0,0]=3 39 B10R0.46 C=C(CC(=O)OC)C(=O)OC BBL010928 [0,2,0,0,0,0|1,0,1]=4 40 B10R0.23 CCCC(CC(C)=O)C(=O)O BBL028989 [0,2,0,0,0,0|2,0,0]=4 41 B8R1.7 O=C(O)C1CCCO1 BBL001404 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.23 C=C1CC(C(=O)O)C1 BBL104102 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.23 O=C1CC(C(=O)O)C1 BBL011270 [1,0,0,1,0,0|1,0,0]=3 44 B8R1.3 O=C1CCC(=O)CC1 BBL027348 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.50 O=C1COC(=O)C1Cl BBL011023 [0,0,0,1,1,0|2,0,0]=4 46 B10R1.349 CC(=O)N1CC(C(=O)O)C1 BBL036558 [0,0,0,1,0,1|2,0,0]=4 47 B10R1.194 CC1C(=O)OCC1C(=O)O BBL002983 [0,1,0,1,0,0|1,0,0]=3 48 B8R0.28 O=C(O)CNCC(=O)O BBL027454 [1,0,0,0,0,1|0,0,0]=2 49 B10R0.98 NC(CSCC(=O)O)C(=O)O BBL036318 [0,0,0,0,0,2|1,0,0]=3