0 B7R0.7 OCNC(=O)NCO T20206 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.1 COC(=O)CCN T8097 [1,0,0,0,0,0|1,0,0]=2 2 B6R0.1 NCC(=O)O[Ru]Cl T6454 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.6 CC/C=C\CCO T22295 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.6 CCC/C=C/C=O T8099 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.6 CCC/C=C/CO TN5162 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.6 CCCCCCO TN6891 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.5 CCOC(=O)CC(C)=O T15254 [0,1,0,0,0,0|0,0,1]=2 8 B8R0.5 CCOC(=O)CC(C)O T19314 [0,1,0,0,0,0|0,0,0]=1 9 B8R0.5 CCOC(=O)CC(O)=O T4773 [0,1,0,0,0,0|1,0,1]=3 10 B8R0.5 CCOC(=O)CC([O-])=O T22328 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.30 CCCS(=O)(=O)CCC T31522 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.30 CCOP(O)(=O)OCC T7192 [0,1,0,0,0,0|2,0,0]=3 13 B8R1.4 CC1CC=CC(=O)O1 TN3177 [0,0,0,1,0,0|0,0,2]=3 14 B8R1.4 CC1CCCC(C)N1 T1007 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.4 CC1CCN=C(N)C1 T21700 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.4 CC1CCOC(C)O1 T21290 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.4 C[C@@H]1CCN=C(N)S1 T22569 [0,0,0,1,0,0|2,1,0]=4 18 B8R1.11 C=CN1CCCC1=O T13823 [0,0,0,1,0,0|1,0,2]=4 19 B8R1.22 O=C1CCCCCN1 T20386 [0,0,0,1,0,0|1,0,0]=2 20 B8R1.22 O=C1NCCCCC1 T20195 [0,0,0,1,0,0|1,0,0]=2 21 B8R1.22 O=C1NCCCCC1 T32363 [0,0,0,1,0,0|1,0,0]=2 22 B5R0.1 C/C=C/C(O)=O T5301 [2,0,0,0,0,0|0,0,2]=4 23 B5R0.1 CCCC([O-])=O T1393 [2,0,0,0,0,0|0,0,1]=3 24 B5R0.1 CCOC(N)=O T0051 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.1 CNCC(O)=O T6975 [2,0,0,0,0,0|1,0,0]=3 26 B5R0.1 NCCC(O)=O T0627 [2,0,0,0,0,0|1,0,0]=3 27 B5R0.1 NCCP(O)=O TN2749 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.1 NCCS(O)=O T5225 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.1 NOCC(O)=O T29033 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.1 NOCC(O)=O T5880 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.2 CCCSSC T39668 [2,0,0,0,0,0|1,1,0]=4 32 B7R0.2 COC(=O)CC(C)=O T4851 [1,1,0,0,0,0|0,0,1]=3 33 B7R0.3 CO/C=C/C(=O)OC TN6402 [1,1,0,0,0,0|0,0,2]=4 34 B7R0.3 COC(=O)CCCN T22364 [1,1,0,0,0,0|0,0,0]=2 35 B7R0.5 CCCC(=O)C(O)=O T13484 [1,1,0,0,0,0|1,0,1]=4 36 B7R0.5 CCOC(=O)C(C)=O T8030 [1,1,0,0,0,0|0,0,1]=3 37 B7R0.10 CCC(O)C(=O)CC T20376 [1,1,0,0,0,0|0,0,0]=2 38 B7R0.10 [C@@H](C(=O)OC)(CS)N T1547 [1,1,0,0,0,0|1,0,0]=3 39 B7R0.1 CCCCCCCO TN6893 [1,1,0,0,0,0|1,0,1]=4 40 B7R0.1 CCCSSCCC TN6758 [1,1,0,0,0,0|1,1,0]=4 41 B7R0.1 CNCCOCCO T32120 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.1 COCCOCCBr T18161 [1,1,0,0,0,0|1,0,1]=4 43 B7R0.1 COCCOCCN T15842 [1,1,0,0,0,0|1,0,1]=4 44 B9R0.18 OCCCC(=O)NCCO T31724 [0,2,0,0,0,0|1,0,0]=3 45 B9R0.6 CCOC(=O)C(Cl)C(C)=O T26408 [0,2,0,0,0,0|0,0,1]=3 46 B9R0.23 CC(C)OC(=O)[C@@H](N)CS T31157 [0,2,0,0,0,0|1,0,0]=3 47 B9R0.15 CCCC(CCC)C(N)=O T0355 [0,2,0,0,0,0|1,0,1]=4 48 B9R0.15 CCCC(CCC)C(O)=O T6474 [0,2,0,0,0,0|1,0,1]=4 49 B9R0.15 CCCC(CCC)C(O)=O T7064 [0,2,0,0,0,0|1,0,1]=4 50 B9R0.15 CCCC(CCC)C([O-])=O T1602 [0,2,0,0,0,0|1,0,1]=4 51 B9R0.15 CCCC(CCC)C([O-])=O T33064 [0,2,0,0,0,0|1,0,1]=4 52 B7R1.2 CC1=CCC(=O)O1 T7995 [1,0,0,1,0,0|0,0,2]=4 53 B7R1.2 O=C1CCC(=O)O1 T18723 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.2 OC1CCC(=O)N1 TN3117 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.3 NN1CCCCC1 T0533 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.3 O=C1CCCCO1 T4821 [1,0,0,1,0,0|0,0,0]=2 57 B7R1.3 O=C1OCCCO1 T21150 [1,0,0,1,0,0|1,0,0]=3 58 B7R1.4 C=C1CCOC1=O T5320 [1,0,0,1,0,0|0,0,2]=4 59 B7R1.4 CC1OCCC1=O T8050 [1,0,0,1,0,0|1,0,0]=3 60 B7R1.4 CN1CCCC1=O T5851 [1,0,0,1,0,0|1,0,0]=3 61 B7R1.4 NC1CCSC1=O T5968 [1,0,0,1,0,0|1,1,0]=4 62 B7R1.4 N[C@H]1CCSC1=O T19393 [1,0,0,1,0,0|1,1,0]=4 63 B9R1.3 OC1CCNC(=O)C1Cl TMA0098 [0,1,0,1,0,0|2,0,0]=4 64 B9R1.37 CC1OC(=O)C(O)=C1C TN7031 [0,1,0,1,0,0|0,0,2]=4 65 B9R1.66 CC1(O)CCOC(=O)C1 T1353 [0,1,0,1,0,0|0,0,0]=2 66 B9R2.39 O=C1CC2CCC1C2 TN4667 [0,0,0,2,0,0|1,0,0]=3