0 B6R1.2 O=C1NCCN1 T0630 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.4 C=C1CCOC1=O T5320 [0,1,0,0,0,0|1,1,1]=4 2 B7R1.4 NC1CCSC1=O T5968 [0,1,0,0,0,0|2,0,0]=3 3 B7R1.4 N[C@@H]1CONC1=O T1589 [0,1,0,0,0,0|1,1,0]=3 4 B7R1.4 N[C@H]1CCSC1=O T19393 [0,1,0,0,0,0|2,0,0]=3 5 B7R1.4 N[C@H]1CONC1=O T0710 [0,1,0,0,0,0|1,1,0]=3 6 B7R1.14 O=S1(=O)CCCN1 T8615 [0,1,0,0,0,0|3,0,0]=4 7 B5R0.1 CC(C)=CCO T4747 [0,0,1,0,0,0|1,1,1]=4 8 B5R0.1 CCCC(=O)[O-] T1393 [0,0,1,0,0,0|2,0,0]=3 9 B5R0.1 CCOC(N)=O T0051 [0,0,1,0,0,0|3,0,0]=4 10 B5R0.1 CNCC(=O)O T6975 [0,0,1,0,0,0|2,0,0]=3 11 B5R0.1 C[C@@H](O)CCO T19538 [0,0,1,0,0,0|0,1,2]=4 12 B5R0.1 C\C=C\C(=O)O T5301 [0,0,1,0,0,0|2,0,1]=4 13 B5R0.1 NCCC(=O)O T0627 [0,0,1,0,0,0|2,0,0]=3 14 B5R0.1 NCCS(=O)O T5225 [0,0,1,0,0,0|3,0,0]=4 15 B5R0.1 NOCC(=O)O T5880 [0,0,1,0,0,0|2,1,0]=4 16 B5R0.3 OCC(S)CS T0781 [0,0,1,0,0,0|1,1,1]=4 17 B7R1.3 NN1CCCCC1 T0533 [0,0,0,0,0,1|3,0,0]=4 18 B7R1.3 O=C1CCCCO1 T4821 [0,0,0,0,0,1|1,0,0]=2 19 B4R0.1 CC(=O)C=O T19536 [1,0,1,0,0,0|0,1,1]=4 20 B4R0.1 CC(=O)NO T1592 [1,0,1,0,0,0|1,1,0]=4 21 B4R0.1 COC(N)=O T2151 [1,0,1,0,0,0|1,1,0]=4 22 B4R0.1 CSC(=N)N T22419 [1,0,1,0,0,0|2,0,0]=4 23 B4R0.1 NCC(=O)O T2O2728 [1,0,1,0,0,0|1,1,0]=4 24 B4R0.1 NCC(=O)[O-] T4505 [1,0,1,0,0,0|1,1,0]=4 25 B4R0.1 NCC(=O)[O-] T4512 [1,0,1,0,0,0|1,1,0]=4 26 B4R0.1 NCC(N)=O T3127 [1,0,1,0,0,0|2,0,0]=4 27 B4R0.1 O=C(O)CO T5985 [1,0,1,0,0,0|1,1,0]=4 28 B4R0.1 O=C([O-])CS T8530 [1,0,1,0,0,0|1,0,0]=3 29 B4R0.1 O=C([O-])C[O-] T2410 [1,0,1,0,0,0|1,1,0]=4 30 B4R0.2 CSSSC T8034 [1,0,1,0,0,0|2,0,0]=4 31 B6R0.1 COC(=O)CCN T8097 [0,1,1,0,0,0|1,0,0]=3 32 B6R0.2 CC(=O)CC(=O)[O-] T4854 [0,1,1,0,0,0|0,1,1]=4 33 B6R0.2 CC(C)CC(=O)O T5609 [0,1,1,0,0,0|2,0,0]=4 34 B6R0.2 CC(C)CC(N)=O T0361 [0,1,1,0,0,0|2,0,0]=4 35 B6R0.2 CC(O)CC(=O)O T4947 [0,1,1,0,0,0|1,1,0]=4 36 B6R0.2 CN(C)CC(=O)O T4120 [0,1,1,0,0,0|2,0,0]=4 37 B6R0.2 C[C@@H](O)CC(=O)O T5248 [0,1,1,0,0,0|1,1,0]=4 38 B6R0.2 C[C@H](O)CC(=O)O T13979 [0,1,1,0,0,0|1,1,0]=4 39 B6R0.3 CC(CN)C(=O)O T4887 [0,1,1,0,0,0|2,0,0]=4 40 B6R0.3 CC(CO)C(=O)O T19619 [0,1,1,0,0,0|1,1,0]=4 41 B6R0.3 CCC(O)C(=O)[O-] T4738 [0,1,1,0,0,0|2,0,0]=4 42 B6R0.3 CC[C@@H](N)C(=O)O T19302 [0,1,1,0,0,0|2,0,0]=4 43 B6R0.3 CC[C@H](N)C(=O)O T5306 [0,1,1,0,0,0|2,0,0]=4 44 B6R0.3 C[C@@H](CN)C(=O)O T7357 [0,1,1,0,0,0|2,0,0]=4 45 B6R0.3 NC(CO)C(=O)O T8363 [0,1,1,0,0,0|1,1,0]=4 46 B6R0.3 NC(CS)C(=O)O T8141 [0,1,1,0,0,0|1,0,0]=3 47 B6R0.3 NCC(N)C(=O)O T4755 [0,1,1,0,0,0|2,0,0]=4 48 B6R0.3 NC[C@H](N)C(=O)O T5978 [0,1,1,0,0,0|2,0,0]=4 49 B6R0.3 NC[C@H](N)C(=O)O T7335 [0,1,1,0,0,0|2,0,0]=4 50 B6R0.3 N[C@@H](CCl)C(=O)O T6987 [0,1,1,0,0,0|2,0,0]=4 51 B6R0.3 N[C@@H](CO)C(=O)O T2O2730 [0,1,1,0,0,0|1,1,0]=4 52 B6R0.3 N[C@@H](CS)C(=O)O T2O2721 [0,1,1,0,0,0|1,0,0]=3 53 B6R0.3 N[C@H](CO)C(=O)O T8394 [0,1,1,0,0,0|1,1,0]=4 54 B6R0.4 C#CCCC(=O)O T0580 [0,1,1,0,0,0|2,0,0]=4 55 B6R0.4 C#CCCC(=O)[O-] T13893 [0,1,1,0,0,0|2,0,0]=4 56 B6R0.4 CSCCC(=O)O T5285 [0,1,1,0,0,0|1,0,0]=3 57 B6R0.4 NCCCC(=O)O T0508 [0,1,1,0,0,0|2,0,0]=4 58 B6R0.5 O=S(=O)([O-])CCS T1414 [0,1,1,0,0,0|2,0,0]=4 59 B8R1.4 O=C1CCNC(=O)N1 T4886 [0,1,0,0,0,1|1,0,1]=4 60 B8R1.7 O=C(O)C1CSCN1 T0221 [0,2,0,0,0,0|1,0,1]=4 61 B8R1.7 O=C(O)C1CSSC1 T10388 [0,2,0,0,0,0|1,0,1]=4 62 B8R1.7 O=C(O)[C@@H]1CSCN1 T4292 [0,2,0,0,0,0|1,0,1]=4 63 B8R1.11 CCN1CCCC1=O T13823 [0,2,0,0,0,0|2,0,0]=4 64 B8R1.50 N[C@H]1CCN(O)C1=O T23298 [0,2,0,0,0,0|2,0,0]=4