0 B6R0.5 CC(C)(O)CCN OR60244 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.5 CC(C)(O)CCO OR16608 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.5 CCCS(=O)(=O)Cl OR19492 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.5 CCCS(N)(=O)=O OR11393 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.5 CCNS(=O)(=O)Cl OR346218 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.5 CS(=O)(=O)CC#N OR25157 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.5 CS(=O)(=O)CCBr OR929569 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.5 CS(=O)(=O)CCN OR12674 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.5 CSCS(C)(=O)=O OR26323 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.5 NCCS(N)(=O)=O OR70098 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.5 O=P(O)(O)CCCl OR10677 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.5 O=S(=O)(Cl)OCCl OR13650 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 CC(C)CCN OR12816 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 CCCB(O)O OR8415 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CCCC(=O)O OR6005 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 CCCC(=O)[O-] OR8783 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CN(C)CCN OR6514 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CSCC(=O)O OR4573 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 C[C@@H](O)CCO OR2223 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 NC(=O)CCBr OR322315 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 NC(=O)CCCl OR26786 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 NCCC(=O)O OR5225 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.1 O=C(Cl)CCCl OR11057 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 O=C(O)CCBr OR8993 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 O=C(O)CCO OR59874 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 O=C(O)CCO OR70031 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.4 CC(C)(O)CN OR301207 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.4 CCS(N)(=O)=O OR51744 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.4 CNS(C)(=O)=O OR52265 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.4 CSS(C)(=O)=O OR70034 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.4 NOS(=O)(=O)O OR0911 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.4 O=S(=O)(Cl)CCl OR5975 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.8 C=CCSS(C)(=O)=O OR5585T [0,1,0,0,0,0|2,0,1]=4 33 B7R0.8 CCCCS(=O)(=O)Cl OR14981 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.8 CCCNS(=O)(=O)Cl OR346219 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.8 CNCCS(C)(=O)=O OR12717 [0,1,0,0,0,0|1,0,0]=2 36 B7R0.8 CS(=O)(=O)SCCN OR0910T [0,1,0,0,0,0|1,0,0]=2 37 B7R0.8 NCCCP(=O)(O)O OR60033 [0,1,0,0,0,0|1,0,1]=3 38 B7R0.8 O=S(=O)(Cl)CCCCl OR5825 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.9 CC(C)NS(=O)(=O)Cl OR346199 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.9 CS(=O)(=O)CC(=O)O OR45106 [0,1,0,0,0,0|2,0,1]=4 41 B7R1.14 N=S1(=O)CCCC1 OR310524 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.14 O=S1(=O)CCCC1 OR51759 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.16 C[C@]1(O)C[C@@H](N)C1 OR317287 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.16 C[C@]1(O)C[C@H](N)C1 OR317286 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.26 NS(=O)(=O)C1CC1 OR3194 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.26 O=S(=O)(Cl)C1CC1 OR12688 [0,0,0,1,0,0|2,0,0]=3 47 B4R0.1 CCB(O)O OR8874 [2,0,0,0,0,0|1,0,1]=4 48 B4R0.1 CCC(=O)[O-] OR70110 [2,0,0,0,0,0|1,0,1]=4 49 B4R0.1 CC[C@@H](C)O OR304038 [2,0,0,0,0,0|2,0,0]=4 50 B4R0.1 CC[C@H](C)O OR4619 [2,0,0,0,0,0|2,0,0]=4 51 B4R0.1 C[C@@H](O)CN OR304058 [2,0,0,0,0,0|2,0,0]=4 52 B4R0.1 C[C@H](O)CN OR30797 [2,0,0,0,0,0|2,0,0]=4 53 B4R0.1 O=C(O)CBr OR6366 [2,0,0,0,0,0|2,0,0]=4 54 B4R0.1 O=C(O)CI OR322006 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.1 O=C(O)CO OR13191 [2,0,0,0,0,0|2,0,0]=4 56 B4R0.2 CNCCN OR6516 [2,0,0,0,0,0|2,0,0]=4 57 B4R0.2 COCCN OR59868 [2,0,0,0,0,0|1,1,0]=4 58 B4R0.2 CSCCN OR4873 [2,0,0,0,0,0|1,0,1]=4 59 B4R0.2 NCCCBr OR322151 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.2 NNCCO OR9124 [2,0,0,0,0,0|2,0,0]=4 61 B4R0.2 OCCCBr OR0978 [2,0,0,0,0,0|2,0,0]=4 62 B4R0.2 OCCCCl OR0977 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.3 CS(=O)(=O)O OR322096 [2,0,0,0,0,0|0,0,0]=2 64 B4R0.3 CS(C)(=N)=O OR303020 [2,0,0,0,0,0|2,0,0]=4 65 B4R0.3 CS(N)(=O)=O OR18387 [2,0,0,0,0,0|1,0,0]=3 66 B4R0.3 NS(=O)(=O)Cl OR18738 [2,0,0,0,0,0|1,0,0]=3 67 B4R0.3 NS(N)(=O)=O OR28878 [2,0,0,0,0,0|1,0,0]=3 68 B6R0.1 CNC(=O)CCN OR16480 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.1 CNC(=O)CCN OR51734 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.1 COC(=O)CCS OR28780 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.2 CC(C)CC(=O)O OR2260 [1,1,0,0,0,0|2,0,0]=4 72 B6R0.3 CCC(N)C(=O)O OR9986 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.3 CC[C@@H](N)C(=O)O OR9988 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.3 CC[C@H](C)C(=O)O OR315294 [1,1,0,0,0,0|2,0,0]=4 75 B6R0.3 CC[C@H](Cl)C(=O)O OR54621 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.3 CC[C@H](N)C(=O)O OR01636 [1,1,0,0,0,0|2,0,0]=4 77 B6R0.3 NCC(N)C(=O)O OR42215 [1,1,0,0,0,0|1,0,0]=3 78 B6R0.3 NCC(N)C(=O)O OR5494 [1,1,0,0,0,0|1,0,0]=3 79 B6R0.3 NCC(O)C(=O)O OR322969 [1,1,0,0,0,0|1,0,0]=3 80 B6R0.3 N[C@@H](CS)C(=O)O OR0325 [1,1,0,0,0,0|2,0,0]=4 81 B6R0.3 O=C(O)C(Br)CBr OR4887 [1,1,0,0,0,0|2,0,0]=4 82 B6R0.4 C#CCCC(=O)O OR5526 [1,1,0,0,0,0|2,0,0]=4 83 B6R0.4 CCOCC(=O)O OR6531 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.4 CNCCC(=O)O OR301194 [1,1,0,0,0,0|1,0,0]=3 85 B6R0.4 CNCCC(N)=O OR17506 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.4 NCCCC(=O)O OR01972 [1,1,0,0,0,0|1,0,0]=3 87 B6R0.4 O=C(O)CCCBr OR4284 [1,1,0,0,0,0|2,0,0]=4 88 B6R0.7 CC(C)S(=O)(=O)Cl OR9002 [1,1,0,0,0,0|1,0,0]=3 89 B6R0.7 CC(C)S(N)(=O)=O OR17829 [1,1,0,0,0,0|1,0,0]=3 90 B6R0.7 C[C@H](N)P(=O)(O)O OR315335 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.24 O=S(=O)([O-])CC(S)CS OR3132 [0,2,0,0,0,0|1,0,1]=4 92 B8R0.30 O=S(=O)(CCS)CCS OR8251T [0,2,0,0,0,0|1,1,0]=4 93 B6R1.2 O=C1CCNC1 OR301124 [1,0,0,1,0,0|2,0,0]=4 94 B6R1.2 O=C1CCNC1 OR61343 [1,0,0,1,0,0|2,0,0]=4 95 B6R1.2 OC1CCNC1 OR9068 [1,0,0,1,0,0|2,0,0]=4 96 B6R1.2 O[C@@H]1CCNC1 OR15681 [1,0,0,1,0,0|2,0,0]=4 97 B6R1.2 O[C@@H]1CCNC1 OR4628 [1,0,0,1,0,0|2,0,0]=4 98 B6R1.2 O[C@H]1CCNC1 OR15682 [1,0,0,1,0,0|2,0,0]=4 99 B6R1.2 O[C@H]1CCNC1 OR4627 [1,0,0,1,0,0|2,0,0]=4 100 B6R1.5 NC1CC(=O)C1 OR308095 [1,0,0,1,0,0|2,0,0]=4 101 B6R1.5 NC1CC(O)C1 OR317063 [1,0,0,1,0,0|2,0,0]=4 102 B6R1.5 N[C@H]1C[C@@H](O)C1 OR308097 [1,0,0,1,0,0|2,0,0]=4 103 B6R1.5 N[C@H]1C[C@H](O)C1 OR308098 [1,0,0,1,0,0|2,0,0]=4 104 B6R1.11 O=C(O)C1CC1 OR5295 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.51 C[C@@H]1COS(=O)(=O)O1 OR305470 [0,1,0,1,0,0|1,0,0]=3 106 B8R1.51 C[C@H]1COS(=O)(=O)O1 OR52605 [0,1,0,1,0,0|1,0,0]=3 107 B8R1.51 NC1CCS(=O)(=O)C1 OR28153 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.51 O=S1(=O)CCC(O)C1 OR28311 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.55 CS(=O)(=O)C1CNC1 OR308014 [0,1,0,1,0,0|1,0,0]=3 110 B8R1.56 O=S(=O)(Cl)CC1CC1 OR70033 [0,1,0,1,0,0|2,0,0]=4 111 B8R1.72 O=S1(=O)CCCCN1 OR10390 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.72 O=S1(=O)CCNCC1 OR13966 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.72 O=S1(=O)CCNCC1 OR61518 [0,1,0,1,0,0|1,0,0]=3 114 B8R1.72 O=S1(=O)CCOCC1 OR24045 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.70 CC1(S(=O)(=O)Cl)CC1 OR313103 [0,1,0,1,0,0|2,0,0]=4