0 B6R0.5 CC(C)(O)CCCl 0206AB [0,0,0,0,0,0|4,0,0]=4 1 B6R0.5 CCNS(=O)(=O)O 4020AE [0,0,0,0,0,0|2,0,0]=2 2 B6R0.5 CCOS(=O)(=O)[O-] 6862AF [0,0,0,0,0,0|2,0,1]=3 3 B6R0.5 CS(=O)(=O)CCBr 5490AJ [0,0,0,0,0,0|2,0,0]=2 4 B6R0.5 CS(=O)(=O)CCCl 4525AE [0,0,0,0,0,0|2,0,0]=2 5 B6R0.5 O=P(O)(O)CCBr 7025AC [0,0,0,0,0,0|2,0,1]=3 6 B6R0.5 O=S(=O)(Cl)CCBr 5489AJ [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 CS(=O)CCN 4290AE [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 NOCC(=O)O 2959AB [1,0,0,0,0,0|3,0,0]=4 9 B5R0.1 O=C(O)CCF 6350AB [1,0,0,0,0,0|2,0,0]=3 10 B5R0.4 CNS(=O)(=O)Cl Z6740 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.4 CNS(=O)(=O)O 5637AB [1,0,0,0,0,0|1,0,0]=2 12 B5R0.4 NS(=O)(=O)CCl 9800AH [1,0,0,0,0,0|2,0,0]=3 13 B7R0.8 C=CCNS(C)(=O)=O 8876AB [0,1,0,0,0,0|2,0,1]=4 14 B7R0.8 CNCCS(=O)(=O)O 7089AF [0,1,0,0,0,0|1,0,0]=2 15 B7R0.8 COCCS(=O)(=O)Cl V6335 [0,1,0,0,0,0|1,1,0]=3 16 B7R0.8 COCCS(=O)(=O)[O-] 7337AJ [0,1,0,0,0,0|0,1,1]=3 17 B7R0.8 CS(=O)(=O)CCCCl 7889AB [0,1,0,0,0,0|2,0,0]=3 18 B7R0.8 CS(=O)(=O)NCCCl V4403 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.8 CS(=O)(=O)NCCN V7900 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.8 NCCCP(=O)(O)O V2414 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.8 NCCCS(N)(=O)=O Z6742 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.8 O=P(O)(O)CCCBr 4063AL [0,1,0,0,0,0|2,0,1]=4 23 B7R0.9 CS(=O)(=O)CC(N)=O 5300AJ [0,1,0,0,0,0|1,1,1]=4 24 B7R0.9 O=C(Cl)CS(=O)(=O)Cl 6818AF [0,1,0,0,0,0|1,1,1]=4 25 B7R0.11 CCS(=O)(=O)CCN 5582AD [0,1,0,0,0,0|2,0,0]=3 26 B7R0.11 CCSS(=O)(=O)CC S198 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.14 O=S(=O)([O-])C(O)CCl 7352AL [0,1,0,0,0,0|1,0,1]=3 28 B7R0.14 O=S(=O)([O-])C(O)CCl 7353AL [0,1,0,0,0,0|1,0,1]=3 29 B7R1.16 O=S1(=O)CC(Br)C1 A897 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.26 NS(=O)(=O)C1CC1 1189AQ [0,0,0,1,0,0|2,0,0]=3 31 B4R0.1 CCC(=O)Br C859 [2,0,0,0,0,0|2,0,0]=4 32 B4R0.1 NCC(=O)O 7986AL [2,0,0,0,0,0|2,0,0]=4 33 B4R0.2 N#CCCS 0102AP [2,0,0,0,0,0|2,0,0]=4 34 B4R0.3 O=S(=O)(O)O K629 [2,0,0,0,0,0|0,1,0]=3 35 B4R0.3 O=S(=O)([O-])[O-] 5193AF [2,0,0,0,0,0|0,1,1]=4 36 B4R0.3 O=S(=O)([O-])[O-] 8944AF [2,0,0,0,0,0|0,1,1]=4 37 B6R0.1 COC(=O)CCCl X6204 [1,1,0,0,0,0|2,0,0]=4 38 B6R0.2 C[C@H](Br)CC(=O)O V0016 [1,1,0,0,0,0|2,0,0]=4 39 B6R0.3 CC(CO)C(=O)O Z7389 [1,1,0,0,0,0|1,1,0]=4 40 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [1,1,0,0,0,0|2,0,0]=4 41 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [1,1,0,0,0,0|2,0,0]=4 43 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [1,1,0,0,0,0|2,0,0]=4 44 B6R0.3 NCC(N)C(=O)O 3293AL [1,1,0,0,0,0|2,0,0]=4 45 B6R0.3 NC[C@H](N)C(=O)O 0179AB [1,1,0,0,0,0|2,0,0]=4 46 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [1,1,0,0,0,0|2,0,0]=4 47 B6R0.3 O=C(O)C(Cl)CO 0455AQ [1,1,0,0,0,0|1,1,0]=4 48 B6R0.3 O=C(O)C(O)CCl 2399AL [1,1,0,0,0,0|2,0,0]=4 49 B6R0.4 CCNCC(=O)O X5133 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.4 CNCCC(=O)O 5026AF [1,1,0,0,0,0|2,0,0]=4 51 B6R0.4 CSSCC(=O)O KMA0116 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.4 O=C(O)CCCS 7264AF [1,1,0,0,0,0|1,0,0]=3 53 B6R0.7 CC(C)S(=O)(=O)[O-] 7069AF [1,1,0,0,0,0|0,0,1]=3 54 B6R0.7 CC(N)P(=O)(O)O 9663AJ [1,1,0,0,0,0|1,0,1]=4 55 B6R0.7 NS(=O)(=O)C(F)F V6274 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.8 C=CS(=O)(=O)NC 2577AB [1,1,0,0,0,0|2,0,0]=4 57 B8R0.21 CCOCCS(=O)(=O)Cl W6977 [0,2,0,0,0,0|1,1,0]=4 58 B8R0.21 COCCCS(=O)(=O)O 5909AJ [0,2,0,0,0,0|0,1,0]=3 59 B8R0.21 N#CCCCS(=O)(=O)[O-] 7338AJ [0,2,0,0,0,0|1,0,1]=4 60 B8R0.24 O=S(=O)([O-])CC(Br)CBr 7088AB [0,2,0,0,0,0|1,0,1]=4 61 B8R0.25 CNCCS(=O)(=O)NC Y2970 [0,2,0,0,0,0|2,0,0]=4 62 B8R0.29 CC(C)CNS(=O)(=O)Cl 6827AJ [0,2,0,0,0,0|2,0,0]=4 63 B8R0.29 CC(C)CNS(C)(=O)=O 7559AH [0,2,0,0,0,0|2,0,0]=4 64 B8R0.12 CC(C)S(=O)(=O)CCN 3529AB [0,2,0,0,0,0|2,0,0]=4 65 B8R0.12 CN(C)S(=O)(=O)CCN 0672AP [0,2,0,0,0,0|2,0,0]=4 66 B8R0.12 CN(C)S(=O)(=O)CCO Z5300 [0,2,0,0,0,0|1,1,0]=4 67 B6R1.2 O[C@@H]1CCSC1 1245AL [1,0,0,1,0,0|2,0,0]=4 68 B6R1.2 O[C@H]1CCSC1 Y1948 [1,0,0,1,0,0|2,0,0]=4 69 B6R1.10 O=S1(=O)C=CC1 8838AE [1,0,0,1,0,0|1,0,1]=4 70 B6R1.10 O=S1(=O)CCC1 V6677 [1,0,0,1,0,0|1,0,0]=3 71 B6R1.11 O=C(O)C1CN1 7766AB [1,0,0,1,0,0|2,0,0]=4 72 B8R1.51 NC1C=CS(=O)(=O)C1 5679AE [0,1,0,1,0,0|2,0,0]=4 73 B8R1.51 NC1CCS(=O)(=O)C1 9651AB [0,1,0,1,0,0|2,0,0]=4 74 B8R1.51 O=S1(=O)C=CC(Br)C1 V6451 [0,1,0,1,0,0|2,0,0]=4 75 B8R1.51 O=S1(=O)CC(Br)CO1 9883AA [0,1,0,1,0,0|1,0,0]=3 76 B8R1.51 [O]C1CCS(=O)(=O)C1 V3757 [0,1,0,1,0,0|1,1,0]=4 77 B8R1.55 CS(=O)(=O)C1CNC1 5885AC [0,1,0,1,0,0|2,0,0]=4 78 B8R1.55 CS(=O)(=O)C1CNC1 Z6913 [0,1,0,1,0,0|2,0,0]=4