0 B6R1.2 O=C1NCCN1 T0630 [0,0,0,0,0,0|2,0,0]=2 1 B5R1.1 C1=CON=C1 T7500 [1,0,0,0,0,0|1,0,2]=4 2 B7R1.4 C=C1CCOC1=O T5320 [0,1,0,0,0,0|0,0,1]=2 3 B7R1.4 NC1CCSC1=O T5968 [0,1,0,0,0,0|0,1,0]=2 4 B7R1.4 N[C@@H]1CONC1=O T1589 [0,1,0,0,0,0|2,0,0]=3 5 B7R1.4 N[C@H]1CCSC1=O T19393 [0,1,0,0,0,0|0,1,0]=2 6 B7R1.4 N[C@H]1CONC1=O T0710 [0,1,0,0,0,0|2,0,0]=3 7 B7R1.14 O=S1(=O)CCCN1 T8615 [0,1,0,0,0,0|2,0,0]=3 8 B5R0.1 CC(C)=CCO T4747 [0,0,1,0,0,0|3,0,0]=4 9 B5R0.1 CCCC(=O)[O-] T1393 [0,0,1,0,0,0|0,0,1]=2 10 B5R0.1 CCOC(N)=O T0051 [0,0,1,0,0,0|1,0,0]=2 11 B5R0.1 CCSC(=N)N T22761 [0,0,1,0,0,0|2,1,0]=4 12 B5R0.1 CNCC(=O)O T6975 [0,0,1,0,0,0|1,0,0]=2 13 B5R0.1 C[C@@H](O)CCO T19538 [0,0,1,0,0,0|2,0,1]=4 14 B5R0.1 C\C=C\C(=O)O T5301 [0,0,1,0,0,0|0,0,2]=3 15 B5R0.1 NCCC(=O)O T0627 [0,0,1,0,0,0|1,0,0]=2 16 B5R0.1 NCCS(=O)O T5225 [0,0,1,0,0,0|2,0,0]=3 17 B5R0.1 NOCC(=O)O T5880 [0,0,1,0,0,0|2,0,0]=3 18 B5R0.2 NCCCCN T22213 [0,0,1,0,0,0|2,0,1]=4 19 B5R0.3 O=C(O[Na])O[Na] T22426 [0,0,1,0,0,0|3,0,0]=4 20 B7R1.3 NN1CCCCC1 T0533 [0,0,0,0,0,1|3,0,0]=4 21 B7R1.3 O=C1CCCCO1 T4821 [0,0,0,0,0,1|0,0,0]=1 22 B4R0.1 CC(=O)C=O T19536 [1,0,1,0,0,0|1,0,1]=4 23 B4R0.1 CC(=O)NO T1592 [1,0,1,0,0,0|2,0,0]=4 24 B4R0.1 COC(N)=O T2151 [1,0,1,0,0,0|1,0,0]=3 25 B4R0.1 NCC(=O)O T2O2728 [1,0,1,0,0,0|1,0,0]=3 26 B4R0.1 NCC(=O)[O-] T4505 [1,0,1,0,0,0|1,0,1]=4 27 B4R0.1 NCC(=O)[O-] T4512 [1,0,1,0,0,0|1,0,1]=4 28 B4R0.1 NCC(N)=O T3127 [1,0,1,0,0,0|2,0,0]=4 29 B4R0.1 O=C(O)CO T5985 [1,0,1,0,0,0|1,0,0]=3 30 B4R0.1 O=C([O-])CS T8530 [1,0,1,0,0,0|1,0,1]=4 31 B4R0.1 O=C([O-])C[O-] T2410 [1,0,1,0,0,0|1,0,1]=4 32 B4R0.1 O=CC(=O)O T16356 [1,0,1,0,0,0|1,0,1]=4 33 B4R0.1 O=CC(=O)O T4843 [1,0,1,0,0,0|1,0,1]=4 34 B6R0.1 COC(=O)CCN T8097 [0,1,1,0,0,0|1,0,0]=3 35 B6R0.1 NCC(=O)O[Ru]Cl T6454 [0,1,1,0,0,0|2,0,0]=4 36 B6R0.2 CC(=O)CC(=O)[O-] T4854 [0,1,1,0,0,0|0,0,2]=4 37 B6R0.2 CC(C)=CC(=O)O T5305 [0,1,1,0,0,0|0,0,2]=4 38 B6R0.2 CC(C)CC(=O)O T5609 [0,1,1,0,0,0|0,0,0]=2 39 B6R0.2 CC(C)CC(N)=O T0361 [0,1,1,0,0,0|1,0,0]=3 40 B6R0.2 CC(O)CC(=O)O T4947 [0,1,1,0,0,0|0,0,0]=2 41 B6R0.2 CN(C)CC(=O)O T4120 [0,1,1,0,0,0|1,0,0]=3 42 B6R0.2 C[C@@H](O)CC(=O)O T5248 [0,1,1,0,0,0|0,0,0]=2 43 B6R0.2 C[C@H](O)CC(=O)O T13979 [0,1,1,0,0,0|0,0,0]=2 44 B6R0.2 O=C(O)CC(=O)O T5291 [0,1,1,0,0,0|1,0,1]=4 45 B6R0.3 CC(CN)C(=O)O T4887 [0,1,1,0,0,0|1,0,0]=3 46 B6R0.3 CC(CO)C(=O)O T19619 [0,1,1,0,0,0|1,0,0]=3 47 B6R0.3 CCC(=O)C(=O)O T5060 [0,1,1,0,0,0|0,0,1]=3 48 B6R0.3 CCC(O)C(=O)[O-] T4738 [0,1,1,0,0,0|0,0,1]=3 49 B6R0.3 CC[C@@H](N)C(=O)O T19302 [0,1,1,0,0,0|0,0,0]=2 50 B6R0.3 CC[C@H](N)C(=O)O T5306 [0,1,1,0,0,0|0,0,0]=2 51 B6R0.3 C[C@@H](CN)C(=O)O T7357 [0,1,1,0,0,0|1,0,0]=3 52 B6R0.3 C\C=C(/C)C(=O)O T5542 [0,1,1,0,0,0|0,0,2]=4 53 B6R0.3 C\C=C(\C)C(=O)O T3328 [0,1,1,0,0,0|0,0,2]=4 54 B6R0.3 NC(CO)C(=O)O T8363 [0,1,1,0,0,0|1,0,0]=3 55 B6R0.3 NC(CS)C(=O)O T8141 [0,1,1,0,0,0|1,0,0]=3 56 B6R0.3 NCC(N)C(=O)O T4755 [0,1,1,0,0,0|1,0,0]=3 57 B6R0.3 NC[C@H](N)C(=O)O T5978 [0,1,1,0,0,0|1,0,0]=3 58 B6R0.3 NC[C@H](N)C(=O)O T7335 [0,1,1,0,0,0|1,0,0]=3 59 B6R0.3 N[C@@H](CCl)C(=O)O T6987 [0,1,1,0,0,0|1,0,0]=3 60 B6R0.3 N[C@@H](CO)C(=O)O T2O2730 [0,1,1,0,0,0|1,0,0]=3 61 B6R0.3 N[C@@H](CS)C(=O)O T2O2721 [0,1,1,0,0,0|1,0,0]=3 62 B6R0.3 N[C@H](CO)C(=O)O T8394 [0,1,1,0,0,0|1,0,0]=3 63 B6R0.3 O=C(O)C(=O)CBr T5882 [0,1,1,0,0,0|1,0,1]=4 64 B6R0.4 C#CCCC(=O)O T0580 [0,1,1,0,0,0|0,0,1]=3 65 B6R0.4 C#CCCC(=O)[O-] T13893 [0,1,1,0,0,0|0,0,2]=4 66 B6R0.4 CSCCC(=O)O T5285 [0,1,1,0,0,0|0,0,0]=2 67 B6R0.4 NCCCC(=O)O T0508 [0,1,1,0,0,0|0,0,0]=2 68 B6R0.4 NC\C=C\C(=O)O T23414 [0,1,1,0,0,0|0,0,2]=4 69 B6R0.4 O=C(O)\C=C\CO T23473 [0,1,1,0,0,0|0,0,2]=4 70 B6R0.4 O=CNCC(=O)O T4741 [0,1,1,0,0,0|1,0,1]=4 71 B6R0.5 NCCP(=O)(O)O T4703 [0,1,1,0,0,0|2,0,0]=4 72 B6R0.5 NCCS(=O)(=O)O T0022 [0,1,1,0,0,0|2,0,0]=4 73 B6R0.6 CC\C=C/CCO T22295 [0,1,1,0,0,0|1,0,1]=4 74 B6R0.6 COCCCCO T7022 [0,1,1,0,0,0|0,0,2]=4 75 B8R1.3 OC1COC(O)CO1 T4748 [0,1,0,0,0,1|0,0,2]=4 76 B8R1.4 C[C@@H]1CCN=C(N)S1 T22569 [0,1,0,0,0,1|1,1,0]=4 77 B8R1.4 O=C1CCNC(=O)N1 T4886 [0,1,0,0,0,1|1,0,1]=4 78 B8R1.1 C=CC1CNC(=S)O1 T2S1778 [0,2,0,0,0,0|1,1,0]=4 79 B8R1.1 C=C[C@@H]1CNC(=S)O1 T5S0092 [0,2,0,0,0,0|1,1,0]=4 80 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [0,2,0,0,0,0|1,0,1]=4 81 B8R1.7 O=C(O)[C@@H]1CCCN1 TN1593 [0,2,0,0,0,0|1,0,1]=4 82 B8R1.7 O=C(O)[C@H]1CCCN1 T5302 [0,2,0,0,0,0|1,0,1]=4 83 B8R1.11 CCN1CCCC1=O T13823 [0,2,0,0,0,0|1,0,0]=3 84 B8R1.18 C=C1CC(=O)OC1=O T5321 [0,2,0,0,0,0|0,0,2]=4 85 B8R1.50 N[C@H]1CCN(O)C1=O T23298 [0,2,0,0,0,0|1,0,0]=3