0 B5R0.1 C/C=C/C(O)=O T5301 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 CC(C)=CCO T4747 [0,0,0,0,0,0|0,1,0]=1 2 B5R0.1 CC(C)C=NO T4930 [0,0,0,0,0,0|1,1,1]=3 3 B5R0.1 CCCC([O-])=O T1393 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CCOC(N)=O T0051 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 CCSC(N)=N T22761 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.1 CN(C)CC=O T19099 [0,0,0,0,0,0|1,1,2]=4 7 B5R0.1 CN(C)CC=O T19100 [0,0,0,0,0,0|1,1,2]=4 8 B5R0.1 C[C@@H](CCO)O T9257 [0,0,0,0,0,0|1,1,2]=4 9 B5R0.1 C[C@@H](O)CCO T19538 [0,0,0,0,0,0|1,1,2]=4 10 B5R0.1 ClC(Cl)=CC=C T31434 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 NCCC(O)=O T0627 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 [O-]C(=O)/C=C\Cl T29626 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 CC(=O)C=O T19536 [1,0,0,0,0,0|1,1,0]=3 14 B4R0.1 CC(=O)NO T1592 [1,0,0,0,0,0|2,1,0]=4 15 B4R0.1 CC(N)C=O T29820 [1,0,0,0,0,0|1,1,1]=4 16 B4R0.1 CC(N)CO T27792 [1,0,0,0,0,0|1,1,1]=4 17 B4R0.1 CNC(N)=N T4904 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 CNC([S-])=S T20178 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 COC(C)=N T24458 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 COC(N)=O T2151 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 CSC(N)=N T22419 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 C[C@H](O)CO T12810 [1,0,0,0,0,0|1,1,1]=4 23 B4R0.1 N(C(N)=N)C T21215 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 NC(=O)CI T8897 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 NCC(N)=O T3127 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 NCC(O)=O T2O2728 [1,0,0,0,0,0|3,0,0]=4 27 B4R0.1 NCC([O-])=O T4505 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.1 NCC([O-])=O T4512 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 OC(=O)C=O T16356 [1,0,0,0,0,0|2,1,0]=4 30 B4R0.1 OC(=O)C=O T4843 [1,0,0,0,0,0|2,1,0]=4 31 B4R0.1 OCC(O)=O T5985 [1,0,0,0,0,0|2,1,0]=4 32 B4R0.1 [O-]C(=O)CS T8530 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 [O-]CC([O-])=O T2410 [1,0,0,0,0,0|2,1,0]=4 34 B4R0.2 CCNCC T31448 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 CCNCC T9038 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 CNCCO TN2779 [1,0,0,0,0,0|1,1,1]=4 37 B6R0.1 CNC(=S)NCO T28190 [0,1,0,0,0,0|2,1,0]=4 38 B6R0.1 COC(=O)CCN T8097 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.2 CC(C)=CC(O)=O T5305 [0,1,0,0,0,0|0,1,1]=3 40 B6R0.3 CC(=O)C(/C)=N/O T2176 [0,1,0,0,0,0|2,1,0]=4 41 B6R0.3 CCC(=O)C(O)=O T5060 [0,1,0,0,0,0|3,0,0]=4 42 B6R0.3 NC(CS)C(=O)O T8141 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.3 N[C@@H](CS)C(O)=O T1547L [0,1,0,0,0,0|2,0,1]=4 44 B6R0.3 N[C@@H](CS)C(O)=O T2O2721 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.3 N[C@@H](CS)C(O)=O TN5283 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.3 N[C@H](CS)C(O)=O T10933 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.3 OC(=O)C(=O)CBr T5882 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.3 OCC(=O)C(O)=O T19365 [0,1,0,0,0,0|2,1,0]=4 49 B6R0.4 CC(C)CCC=O T20931 [0,1,0,0,0,0|0,1,2]=4 50 B6R0.4 CN(C)NCCCl T32428 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.4 CSCCC(O)=O T5285 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.4 NC/C=C/C(O)=O T23414 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.4 OC/C=C/C(O)=O T23473 [0,1,0,0,0,0|2,1,0]=4 54 B6R0.5 C[N+](C)(C)CCCl T20738 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.5 C[N+](C)(C)CCI T32172 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.5 C[N+](C)(C)CCO T1039 [0,1,0,0,0,0|1,1,1]=4 57 B6R0.5 C[N+](C)(C)CCO T14341 [0,1,0,0,0,0|1,1,1]=4 58 B6R0.5 C[N+](C)(C)CCO T8734 [0,1,0,0,0,0|1,1,1]=4 59 B6R1.2 CC1=NCCN1 T21052 [0,0,0,1,0,0|3,0,0]=4 60 B6R1.2 CN1CCCC1 T8029 [0,0,0,1,0,0|2,0,1]=4 61 B6R1.2 Cc1cn[nH]c1 T0765 [0,0,0,1,0,0|2,0,1]=4 62 B6R1.2 N=C1CCCS1 T19958 [0,0,0,1,0,0|3,0,0]=4 63 B6R1.2 O=C1CCSC1 T37630 [0,0,0,1,0,0|1,0,1]=3 64 B3R0.1 NCCS T1080 [2,0,0,0,0,0|1,0,1]=4 65 B3R0.1 NCCS T6460 [2,0,0,0,0,0|1,0,1]=4 66 B3R0.2 CC(N)=S T35367 [2,0,0,0,0,0|1,0,1]=4 67 B3R0.2 CC([O-])=O T23377 [2,0,0,0,0,0|1,1,0]=4 68 B3R0.2 CC([O-])=O T35375 [2,0,0,0,0,0|1,1,0]=4 69 B3R0.2 CC([O-])=O T8129 [2,0,0,0,0,0|1,1,0]=4 70 B3R0.2 CC([O-])C T19372 [2,0,0,0,0,0|0,1,1]=4 71 B3R0.2 CC([S-])=O T22402 [2,0,0,0,0,0|1,0,1]=4 72 B3R0.2 CN(C)C T4827 [2,0,0,0,0,0|1,0,0]=3 73 B5R0.3 CC(CCl)CCl T31230 [1,1,0,0,0,0|1,0,1]=4 74 B5R0.3 CCC(C)C=O T5090 [1,1,0,0,0,0|0,1,1]=4 75 B5R0.3 CNC(=S)NC T40615 [1,1,0,0,0,0|2,0,0]=4 76 B5R0.3 OCC(S)CS T0781 [1,1,0,0,0,0|1,0,1]=4 77 B5R0.5 CC(=C)C(N)=O TN7113 [1,1,0,0,0,0|0,1,1]=4 78 B5R0.5 CC(=O)C(O)=O T4804 [1,1,0,0,0,0|1,1,0]=4 79 B5R0.5 CC(=O)C([O-])=O T7717 [1,1,0,0,0,0|1,1,0]=4 80 B5R0.5 CN(C)C(C)=O T19439 [1,1,0,0,0,0|1,0,0]=3 81 B7R0.5 CC/C=C(\C)C(O)=O T8052 [0,2,0,0,0,0|1,0,1]=4 82 B7R0.5 CCOC(=O)C(C)=O T8030 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.10 [C@@H](C(=O)OC)(CS)N T1547 [0,2,0,0,0,0|1,0,1]=4 84 B5R1.1 C1CC=CO1 T0654 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.2 CC1=CCC(=O)O1 T7995 [0,1,0,1,0,0|1,1,0]=4 86 B7R1.4 CN1CCCC1=O T5851 [0,1,0,1,0,0|2,0,0]=4 87 B7R1.4 Cn1sccc1=O T19774 [0,1,0,1,0,0|1,0,1]=4 88 B7R1.4 Cn1sccc1=O T28029 [0,1,0,1,0,0|1,0,1]=4