0 B6R1.2 O=C1CCCC1 T4800 [0,0,0,0,0,0|1,0,0]=1 1 B7R1.2 O=C1CCC(O)N1 BBP01947 [0,1,0,0,0,0|1,0,0]=2 2 B7R1.4 N[C@@H]1CONC1=O T1589 [0,1,0,0,0,0|2,0,0]=3 3 B7R1.4 N[C@H]1CONC1=O T0710 [0,1,0,0,0,0|2,0,0]=3 4 B5R0.1 CC(C)=CCO T4747 [0,0,1,0,0,0|3,0,0]=4 5 B5R0.1 CCCC(=O)O T3943 [0,0,1,0,0,0|0,0,0]=1 6 B5R0.1 NCCC(=O)O T0627 [0,0,1,0,0,0|1,0,0]=2 7 B5R0.2 NCCCCN T4865 [0,0,1,0,0,0|2,0,1]=4 8 B7R1.3 O=C1C=CCCN1 BBP02874 [0,0,0,0,0,1|1,0,1]=3 9 B4R0.1 CCC(=O)O T4908 [1,0,1,0,0,0|0,0,0]=2 10 B4R0.1 NCC(=O)O T2O2728 [1,0,1,0,0,0|1,0,0]=3 11 B4R0.1 O=CC(=O)O T4843 [1,0,1,0,0,0|1,0,1]=4 12 B4R0.2 CCCCO T7023 [1,0,1,0,0,0|0,0,1]=3 13 B4R0.2 NCCCN T4782 [1,0,1,0,0,0|2,0,0]=4 14 B6R0.2 CC(C)=CC(=O)O BBP04714 [0,1,1,0,0,0|0,0,2]=4 15 B6R0.2 CC(C)CC(N)=O T0361 [0,1,1,0,0,0|1,0,0]=3 16 B6R0.2 CC(O)CC(=O)O T4947 [0,1,1,0,0,0|0,0,0]=2 17 B6R0.3 CC(CN)C(=O)O T4887 [0,1,1,0,0,0|1,0,0]=3 18 B6R0.3 CCC(=O)C(=O)O T5060 [0,1,1,0,0,0|0,0,1]=3 19 B6R0.3 CCC(O)C(=O)[O-] T4738 [0,1,1,0,0,0|0,0,1]=3 20 B6R0.3 C\C=C(\C)C(=O)O T3328 [0,1,1,0,0,0|0,0,2]=4 21 B6R0.3 NCC(N)C(=O)O T4755 [0,1,1,0,0,0|1,0,0]=3 22 B6R0.3 N[C@@H](CO)C(=O)O T2O2730 [0,1,1,0,0,0|1,0,0]=3 23 B6R0.3 N[C@@H](CS)C(=O)O T2O2721 [0,1,1,0,0,0|1,0,0]=3 24 B6R0.4 CCCCC(=O)O T4792 [0,1,1,0,0,0|0,0,0]=2 25 B6R0.4 NCCCC(=O)O T0508 [0,1,1,0,0,0|0,0,0]=2 26 B6R0.5 NCCP(=O)(O)O T4703 [0,1,1,0,0,0|2,0,0]=4 27 B6R0.5 NCCS(=O)(=O)O T0022 [0,1,1,0,0,0|2,0,0]=4 28 B6R0.6 OCCNCCO T4796 [0,1,1,0,0,0|0,0,2]=4 29 B6R0.6 OCCSCCO T0329 [0,1,1,0,0,0|0,0,2]=4 30 B8R1.3 OC1COC(O)CO1 T4748 [0,1,0,0,0,1|0,0,2]=4 31 B8R1.4 O=C1CCNC(=O)N1 T4886 [0,1,0,0,0,1|1,0,1]=4 32 B8R1.1 C=CC1CNC(=S)O1 T2S1778 [0,2,0,0,0,0|1,1,0]=4 33 B8R1.1 C=C[C@@H]1CNC(=S)O1 BBP02818 [0,2,0,0,0,0|1,1,0]=4 34 B8R1.1 C=C[C@@H]1CNC(=S)O1 T5S0092 [0,2,0,0,0,0|1,1,0]=4 35 B8R1.1 COC1CCC(=O)N1 BBP00214 [0,2,0,0,0,0|1,0,0]=3 36 B8R1.1 O=C1CC[C@H](CO)C1 BBP00686 [0,2,0,0,0,0|1,0,0]=3 37 B8R1.7 O=C(O)[C@@H]1CCCN1 BBP00795 [0,2,0,0,0,0|1,0,1]=4 38 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [0,2,0,0,0,0|1,0,1]=4