0 B6R0.5 C#CCS(C)(=O)=O 1600203 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.5 C=CCS(C)(=O)=O 1600204 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.5 CCCS(=O)(=O)Cl 1051759 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.5 CCNS(=O)(=O)Cl 1499547 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.5 CS(=O)(=O)CCN 1366570 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.5 CS(=O)(=O)N=C=O 1778687 [0,0,0,0,0,0|2,1,1]=4 6 B6R0.5 CS(=O)(=O)N=[N+]=[N-] 3643787 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.5 NCCS(=O)(=O)O 2817430 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.5 O=C=NS(=O)(=O)Cl 2827695 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.1 CC(=O)CCN 1513437 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 CCCC(=O)Cl 1051694 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 CCCC(=O)O 2825391 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.1 CCCC(C)=O 1366507 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 CCC[N+](=O)[O-] 2816671 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CNCC(=O)O 1972908 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 COCC(=O)O 2825420 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.1 N#CCC(=O)O 1519400 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 NC(=O)CCBr 4787247 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 NCCC(=O)O 2825410 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 O=C(O)CCBr 2829509 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 O=C(O)CCCl 2825726 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 O=C(O)CCO 2255842 [1,0,0,0,0,0|1,1,0]=3 22 B5R0.1 O=C(O)CCS 2825675 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.4 CCS(=O)(=O)Cl 22430516 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.4 CCS(C)(=O)=O 1115483 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.4 CCS(N)(=O)=O 2825737 [1,0,0,0,0,0|1,0,0]=2 26 B5R0.4 CNS(=O)(=O)Cl 1499546 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.4 CS(=O)(=O)NO 1778599 [1,0,0,0,0,0|2,1,0]=4 28 B5R0.4 NOS(=O)(=O)O 2825849 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.8 C=CCCS(=O)(=O)Cl 4194479 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.8 CCCCS(=O)(=O)Cl 1051760 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.8 CCCNS(=O)(=O)Cl 1499548 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.8 CCCOS(C)(=O)=O 22430493 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.8 COCCS(=O)(=O)Cl 1145916 [0,1,0,0,0,0|1,1,0]=3 34 B7R0.8 CS(=O)(=O)NCCCl 1273608 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.8 NCCCS(=O)(=O)O 4270761 [0,1,0,0,0,0|1,0,0]=2 36 B7R0.8 O=S(=O)(Cl)CCCCl 7020430951 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.8 O=S(=O)(Cl)NCCCl 1499557 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.9 CC(C)NS(=O)(=O)Cl 1499549 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.11 CNS(=O)(=O)CCN 1148647 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.14 O=S1(=O)CC=CC1 2826074 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.14 O=S1(=O)CCCC1 2826128 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.16 O=S1(=O)CC(O)C1 6491972 [0,0,0,1,0,0|1,1,0]=3 43 B7R1.26 O=S(=O)(Cl)C1CC1 22430402 [0,0,0,1,0,0|2,0,0]=3 44 B4R0.1 CCC(=O)Cl 1051693 [2,0,0,0,0,0|2,0,0]=4 45 B4R0.1 CCC(=O)O 14605034 [2,0,0,0,0,0|1,0,0]=3 46 B4R0.1 CCC(C)=O 3585902 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.1 CCC(C)O 2825288 [2,0,0,0,0,0|2,0,0]=4 48 B4R0.1 CCC(N)=O 1375166 [2,0,0,0,0,0|2,0,0]=4 49 B4R0.1 CC[N+](=O)[O-] 2825295 [2,0,0,0,0,0|1,0,1]=4 50 B4R0.1 NC(=O)CS 3474154 [2,0,0,0,0,0|2,0,0]=4 51 B4R0.1 NCC(=O)O 2825296 [2,0,0,0,0,0|2,0,0]=4 52 B4R0.1 NCC(=O)O 5753509 [2,0,0,0,0,0|2,0,0]=4 53 B4R0.1 O=C(O)CBr 2827321 [2,0,0,0,0,0|2,0,0]=4 54 B4R0.1 O=C(O)CCl 2825462 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.1 O=C(O)CI 2928692 [2,0,0,0,0,0|2,0,0]=4 56 B4R0.1 O=C(O)CO 2825300 [2,0,0,0,0,0|1,1,0]=4 57 B4R0.1 O=C(O)CS 2119848 [2,0,0,0,0,0|1,0,0]=3 58 B4R0.1 O=C([O-])CS 6057377 [2,0,0,0,0,0|1,0,1]=4 59 B4R0.2 CCCC=O 2825265 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.2 CCCCO 2825287 [2,0,0,0,0,0|2,0,0]=4 61 B4R0.2 NCCCO 2825297 [2,0,0,0,0,0|2,0,0]=4 62 B4R0.2 OCCCBr 3585831 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.2 OCCCCl 2825464 [2,0,0,0,0,0|2,0,0]=4 64 B4R0.2 OCCCO 2825304 [2,0,0,0,0,0|1,1,0]=4 65 B4R0.2 SCCC#N 2121354 [2,0,0,0,0,0|2,0,0]=4 66 B4R0.2 SCCCS 2825722 [2,0,0,0,0,0|1,1,0]=4 67 B4R0.3 CS(=O)(=O)O 2816712 [2,0,0,0,0,0|0,0,0]=2 68 B4R0.3 CS(N)(=O)=O 2825472 [2,0,0,0,0,0|1,0,0]=3 69 B4R0.3 NS(=O)(=O)O 2825492 [2,0,0,0,0,0|1,0,0]=3 70 B4R0.3 O=S(=O)(O)O 22430399 [2,0,0,0,0,0|0,1,0]=3 71 B4R0.3 O=S(=O)(O)O 22430587 [2,0,0,0,0,0|0,1,0]=3 72 B4R0.3 O=S(=O)([O-])O 22430383 [2,0,0,0,0,0|0,1,0]=3 73 B6R0.1 COC(=O)CCN 2827416 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.1 COC(=O)CCS 22430614 [1,1,0,0,0,0|1,0,0]=3 75 B6R0.2 CC(C)CC(=O)O 2825611 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.3 CCC(Br)C(=O)O 2842265 [1,1,0,0,0,0|2,0,0]=4 77 B6R0.3 CCC(C)C(=O)O 1202010 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.3 CCC(N)C(=O)O 2825633 [1,1,0,0,0,0|2,0,0]=4 79 B6R0.3 NC(CS)C(=O)O 7216850007 [1,1,0,0,0,0|1,0,0]=3 80 B6R0.3 NC(CS)C(=O)O 7216850009 [1,1,0,0,0,0|1,0,0]=3 81 B6R0.3 N[C@@H](CO)C(=O)O 22430477 [1,1,0,0,0,0|1,1,0]=4 82 B6R0.3 O=C(O)C(Br)CBr 3137001 [1,1,0,0,0,0|2,0,0]=4 83 B6R0.3 [NH-]C(CS)C(=O)O 22430434 [1,1,0,0,0,0|1,0,0]=3 84 B6R0.4 CCCCC(=O)O 2825609 [1,1,0,0,0,0|2,0,0]=4 85 B6R0.4 COCCC(=O)O 2816856 [1,1,0,0,0,0|1,1,0]=4 86 B6R0.4 NCCCC(=O)O 2825632 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.7 CC(C)S(=O)(=O)Cl 1144950 [1,1,0,0,0,0|1,0,0]=3 88 B6R0.7 CC(C)S(N)(=O)=O 2652427 [1,1,0,0,0,0|1,0,0]=3 89 B6R0.7 CN(C)S(=O)(=O)Cl 1051761 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.7 CN(C)S(N)(=O)=O 7112908368 [1,1,0,0,0,0|2,0,0]=4 91 B6R0.8 COS(=O)(=O)OC 2826316 [1,1,0,0,0,0|1,0,0]=3 92 B8R0.14 CC(CCCl)S(=O)(=O)Cl 3356920 [0,2,0,0,0,0|2,0,0]=4 93 B8R0.14 CN(CCCl)S(=O)(=O)Cl 3507502 [0,2,0,0,0,0|2,0,0]=4 94 B8R0.21 CS(=O)(=O)NCCCCl 1273715 [0,2,0,0,0,0|2,0,0]=4 95 B8R0.21 O=S(=O)(Cl)CCCCCl 1113852 [0,2,0,0,0,0|2,0,0]=4 96 B8R0.29 CN(C)CCS(=O)(=O)O 11185905 [0,2,0,0,0,0|1,0,0]=3 97 B8R0.29 CS(=O)(=O)CCC(=O)O 1277526 [0,2,0,0,0,0|1,1,0]=4 98 B8R0.12 CC(C)S(=O)(=O)CCO 1366893 [0,2,0,0,0,0|1,1,0]=4 99 B8R0.12 CN(C)S(=O)(=O)CCN 15298381 [0,2,0,0,0,0|2,0,0]=4 100 B8R0.30 CCOS(=O)(=O)OCC 2820592 [0,2,0,0,0,0|2,0,0]=4 101 B6R1.2 O=C1CCCO1 2825356 [1,0,0,1,0,0|2,0,0]=4 102 B6R1.11 O=C(O)C1CC1 2825360 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.51 NC1C=CS(=O)(=O)C1 7018890442 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.51 NC1CCS(=O)(=O)C1 2212423 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.51 NC1CCS(=O)(=O)C1 7119850624 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.51 O=C1CCS(=O)(=O)O1 1973044 [0,1,0,1,0,0|0,1,0]=3 107 B8R1.51 O=S1(=O)C=CC(Br)C1 5969830 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.51 O=S1(=O)CCC(O)C1 7020420372 [0,1,0,1,0,0|1,1,0]=4