0 B6R0.1 COC(=O)CCN T8097 [1,0,0,0,0,0|2,0,0]=3 1 B6R0.1 NCC(=O)O[Ru]Cl T6454 [1,0,0,0,0,0|3,0,0]=4 2 B6R0.6 CC/C=C\CCO T22295 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.6 CCC/C=C/CO TN5162 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.5 CCOC(=O)CC(C)=O T15254 [0,1,0,0,0,0|1,0,0]=2 5 B8R0.5 CCOC(=O)CC(C)O T19314 [0,1,0,0,0,0|1,0,0]=2 6 B8R0.5 CCOC(=O)CC(O)=O T4773 [0,1,0,0,0,0|2,0,0]=3 7 B8R0.5 CCOC(=O)CC([O-])=O T22328 [0,1,0,0,0,0|2,0,0]=3 8 B8R0.30 CCCS(=O)(=O)CCC T31522 [0,1,0,0,0,0|3,0,0]=4 9 B8R0.30 CCOP(O)(=O)OCC T7192 [0,1,0,0,0,0|3,0,0]=4 10 B8R1.4 CC1CC=CC(=O)O1 TN3177 [0,0,0,1,0,0|1,0,1]=3 11 B8R1.4 CC1CCN=C(N)C1 T21700 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.22 O=C1CCCCCN1 T20386 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.22 O=C1NCCCCC1 T20195 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.22 O=C1NCCCCC1 T32363 [0,0,0,1,0,0|2,0,0]=3 15 B5R0.1 C/C=C/C(O)=O T5301 [2,0,0,0,0,0|1,0,1]=4 16 B5R0.1 CCCC([O-])=O T1393 [2,0,0,0,0,0|1,0,1]=4 17 B5R0.1 CCOC(N)=O T0051 [2,0,0,0,0,0|1,0,0]=3 18 B5R0.1 CNCC(O)=O T6975 [2,0,0,0,0,0|1,0,0]=3 19 B5R0.1 NCCC(O)=O T0627 [2,0,0,0,0,0|2,0,0]=4 20 B5R0.1 NOCC(O)=O T29033 [2,0,0,0,0,0|1,1,0]=4 21 B5R0.1 NOCC(O)=O T5880 [2,0,0,0,0,0|1,1,0]=4 22 B5R0.2 CCCSSC T39668 [2,0,0,0,0,0|1,0,1]=4 23 B7R0.2 COC(=O)CC(C)=O T4851 [1,1,0,0,0,0|1,0,0]=3 24 B7R0.3 CO/C=C/C(=O)OC TN6402 [1,1,0,0,0,0|0,1,1]=4 25 B7R0.3 COC(=O)CCCN T22364 [1,1,0,0,0,0|1,0,0]=3 26 B7R0.5 CCOC(=O)C(C)=O T8030 [1,1,0,0,0,0|0,0,1]=3 27 B7R0.10 CCC(O)C(=O)CC T20376 [1,1,0,0,0,0|1,0,0]=3 28 B7R0.10 [C@@H](C(=O)OC)(CS)N T1547 [1,1,0,0,0,0|2,0,0]=4 29 B7R0.1 CNCCOCCO T32120 [1,1,0,0,0,0|1,0,1]=4 30 B7R0.1 COCCOCCBr T18161 [1,1,0,0,0,0|0,1,1]=4 31 B7R0.1 COCCOCCN T15842 [1,1,0,0,0,0|0,1,1]=4 32 B9R0.18 OCCCC(=O)NCCO T31724 [0,2,0,0,0,0|2,0,0]=4 33 B9R0.6 CCOC(=O)C(Cl)C(C)=O T26408 [0,2,0,0,0,0|1,0,0]=3 34 B9R0.23 CC(C)OC(=O)[C@@H](N)CS T31157 [0,2,0,0,0,0|2,0,0]=4 35 B7R1.2 CC1=CCC(=O)O1 T7995 [1,0,0,1,0,0|0,0,2]=4 36 B7R1.2 O=C1CCC(=O)O1 T18723 [1,0,0,1,0,0|1,0,1]=4 37 B7R1.2 OC1CCC(=O)N1 TN3117 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.3 O=C1CCCCO1 T4821 [1,0,0,1,0,0|0,0,0]=2 39 B7R1.3 O=C1OCCCO1 T21150 [1,0,0,1,0,0|0,1,0]=3 40 B7R1.4 C=C1CCOC1=O T5320 [1,0,0,1,0,0|0,0,2]=4 41 B7R1.4 CC1OCCC1=O T8050 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.4 CN1CCCC1=O T5851 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.4 NC1CCSC1=O T5968 [1,0,0,1,0,0|1,1,0]=4 44 B7R1.4 N[C@H]1CCSC1=O T19393 [1,0,0,1,0,0|1,1,0]=4 45 B9R1.37 CC1OC(=O)C(O)=C1C TN7031 [0,1,0,1,0,0|1,0,1]=4 46 B9R1.66 CC1(O)CCOC(=O)C1 T1353 [0,1,0,1,0,0|1,0,0]=3 47 B9R2.39 O=C1CC2CCC1C2 TN4667 [0,0,0,2,0,0|2,0,0]=4