0 B6R0.5 CC(C)(F)CCN MC116087 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.5 CC(C)(O)CCBr CS15788 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.5 CC(C)(O)CON MC427561 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.5 CCCS(=O)(=O)Cl MC20992 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.5 CCCS(=O)(=O)O MC32073 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.5 CCCS(=O)(=O)[O-] MC32074 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.5 CCCS(N)(=O)=O MC32075 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.5 CCOS(C)(=O)=O MC445528 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.5 CNCP(=O)(O)O MC101885 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.5 CS(=O)(=O)CC#N MC434049 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.5 CS(=O)(=O)CCN CS21301 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.5 CS(=O)(=O)N=C=O MC121373 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.5 NCCC(F)(F)F CS14596 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.5 O=S(=O)(Cl)OCCl MC20939 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.1 CC(O)CON CS17735 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CCCB(O)O CS14802 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CCCC(C)=O CS21731 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CCC[N+](=O)[O-] MC428297 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CN(C)CCN CS18603 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CNCC(=O)O CS18595 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 COCC(=O)O CS11579 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 N#CCC(=O)O MC41881 [1,0,0,0,0,0|1,0,2]=4 22 B5R0.1 NCCC(=O)O CS13499 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.1 NCCC(N)=O MC436150 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 O=C(O)CCO MC20638 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.4 CC(C)(O)CN CS20593 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.4 CCS(=O)(=O)Cl MC32069 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.4 CCS(=O)(=O)F MC32070 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.4 CCS(=O)(=O)O MC32071 [1,0,0,0,0,0|0,0,0]=1 29 B5R0.4 CCS(=O)(=O)[O-] MC32072 [1,0,0,0,0,0|0,0,1]=2 30 B5R0.4 CCS(N)(=O)=O CS11311 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.4 CNS(C)(=O)=O CS17859 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.4 CNS(N)(=O)=O MC33445 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.4 COS(C)(=O)=O MC445529 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.4 CS(=O)(=O)NN MC106833 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.4 O=S(=O)([O-])O[O-] MC428310 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.8 CCCCS(=O)(=O)Cl MC32076 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.8 CCCCS(=O)(=O)F MC32077 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.8 CCCCS(=O)(=O)O MC32078 [0,1,0,0,0,0|1,0,0]=2 39 B7R0.8 CCCCS(=O)(=O)[O-] MC32079 [0,1,0,0,0,0|1,0,1]=3 40 B7R0.8 CCCCS(N)(=O)=O MC32080 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.8 CS(=O)(=O)NCCI MC115998 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.8 NCCCP(=O)(O)O CS22520 [0,1,0,0,0,0|1,0,1]=3 43 B7R0.8 NCCCS(=O)(=O)O MC20858 [0,1,0,0,0,0|0,0,0]=1 44 B7R0.8 O=S(=O)(Cl)CCCCl MC40372 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.9 CC(C)CS(=O)(=O)Cl MC33117 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.9 CC(C)OS(C)(=O)=O MC445527 [0,1,0,0,0,0|3,0,0]=4 47 B7R1.14 CC1(O)CCNC1 MC107172 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.14 O=S1(=O)C=CCO1 CS13255 [0,0,0,1,0,0|1,0,2]=4 49 B7R1.14 O=S1(=O)CCC=N1 MC103630 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.16 CC1(O)CC(N)C1 MC103384 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.16 O=S1(=O)CC(Br)C1 MC114298 [0,0,0,1,0,0|2,0,0]=3 52 B7R1.16 O=S1(=O)CC(Cl)C1 MC100035 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.16 O=S1(=O)CC(O)C1 CS17454 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.26 CS(=N)(=O)C1CC1 MC116236 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.26 NS(=O)(=O)C1CC1 CS13753 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.26 NS(=O)(=O)N1CC1 MC111129 [0,0,0,1,0,0|3,0,0]=4 57 B4R0.1 CC(=O)CN CS10921 [2,0,0,0,0,0|2,0,0]=4 58 B4R0.1 CC(O)CN CS14075 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.1 CCB(O)O CS13979 [2,0,0,0,0,0|1,0,1]=4 60 B4R0.1 CCC(C)O MC10786 [2,0,0,0,0,0|2,0,0]=4 61 B4R0.1 CCC(N)=O CS11886 [2,0,0,0,0,0|2,0,0]=4 62 B4R0.1 NCC(=O)O CS19951 [2,0,0,0,0,0|1,0,0]=3 63 B4R0.1 NCC(=O)[O-] CS10910 [2,0,0,0,0,0|1,0,1]=4 64 B4R0.1 NCC(=O)[O-] MC20522 [2,0,0,0,0,0|1,0,1]=4 65 B4R0.1 NCC(N)=O CS13806 [2,0,0,0,0,0|2,0,0]=4 66 B4R0.1 NCC(N)=O MC437712 [2,0,0,0,0,0|2,0,0]=4 67 B4R0.1 NCS(=O)[O-] MC105927 [2,0,0,0,0,0|0,0,2]=4 68 B4R0.1 O=C(O)CCl MC41871 [2,0,0,0,0,0|2,0,0]=4 69 B4R0.1 O=C(O)CO CS19334 [2,0,0,0,0,0|2,0,0]=4 70 B4R0.2 C#CCCN MC424006 [2,0,0,0,0,0|2,0,0]=4 71 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|2,0,0]=4 72 B4R0.2 CCCCO MC41869 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.2 NCCCBr CS22190 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.2 NCCCS MC428180 [2,0,0,0,0,0|1,1,0]=4 75 B4R0.3 CS(=O)(=O)O MC40426 [2,0,0,0,0,0|0,0,0]=2 76 B4R0.3 CS(=O)(=O)O MC40428 [2,0,0,0,0,0|0,0,0]=2 77 B4R0.3 CS(N)(=O)=O CS19901 [2,0,0,0,0,0|1,0,0]=3 78 B4R0.3 NS(N)(=O)=O CS15922 [2,0,0,0,0,0|1,0,0]=3 79 B4R0.3 O=I(=O)(=O)O MC20542 [2,0,0,0,0,0|2,0,0]=4 80 B4R0.3 O=S(=O)(O)O CS11689 [2,0,0,0,0,0|1,0,0]=3 81 B4R0.3 O=S(=O)(O)O MC40998 [2,0,0,0,0,0|1,0,0]=3 82 B6R0.1 CNC(=O)CCN MC112263 [1,1,0,0,0,0|2,0,0]=4 83 B6R0.1 COC(=O)CCBr CS18993 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.1 COC(=O)CCN CS22266 [1,1,0,0,0,0|1,0,0]=3 85 B6R0.2 CC(Br)CC(=O)O MC106689 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.2 CC(N)CC(=O)O CS19028 [1,1,0,0,0,0|1,0,0]=3 87 B6R0.2 CC(N)CC(=O)O CS20346 [1,1,0,0,0,0|1,0,0]=3 88 B6R0.2 CC(N)CC(=O)O MC439098 [1,1,0,0,0,0|1,0,0]=3 89 B6R0.2 CC(O)CC(=O)O MC426020 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.2 CC(O)CC(=O)O MC426021 [1,1,0,0,0,0|2,0,0]=4 91 B6R0.2 NC([SeH])CC(=O)O MC435590 [1,1,0,0,0,0|1,0,0]=3 92 B6R0.2 NC([SeH])CC(=O)O MC435591 [1,1,0,0,0,0|1,0,0]=3 93 B6R0.3 CC(CN)C(=O)O MC105846 [1,1,0,0,0,0|1,0,0]=3 94 B6R0.3 CC(CN)C(=O)O MC105847 [1,1,0,0,0,0|1,0,0]=3 95 B6R0.3 CCC(Br)C(=O)O MC426015 [1,1,0,0,0,0|2,0,0]=4 96 B6R0.3 CCC(Cl)C(=O)O MC426016 [1,1,0,0,0,0|2,0,0]=4 97 B6R0.3 CCC(N)C(=O)O CS13661 [1,1,0,0,0,0|2,0,0]=4 98 B6R0.3 CCC(N)C(=O)O CS14054 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.3 CCC(N)C(=O)O CS14084 [1,1,0,0,0,0|2,0,0]=4 100 B6R0.3 NC(CCl)C(=O)O MC436849 [1,1,0,0,0,0|2,0,0]=4 101 B6R0.3 NC(CCl)C(=O)O MC436850 [1,1,0,0,0,0|2,0,0]=4 102 B6R0.3 NC(CCl)C(=O)O MC436851 [1,1,0,0,0,0|2,0,0]=4 103 B6R0.3 NC(CCl)C(=O)O MC436852 [1,1,0,0,0,0|2,0,0]=4 104 B6R0.3 NC(CF)C(=O)O MC437009 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.3 NC(CO)C(=O)O CS14731 [1,1,0,0,0,0|2,0,0]=4 106 B6R0.3 NC(CO)C(=O)O CS18949 [1,1,0,0,0,0|2,0,0]=4 107 B6R0.3 NC(CO)C(=O)O CS19144 [1,1,0,0,0,0|2,0,0]=4 108 B6R0.3 NC(CS)C(=O)O CS19113 [1,1,0,0,0,0|2,0,0]=4 109 B6R0.3 NC(CS)C(=O)O CS19417 [1,1,0,0,0,0|2,0,0]=4 110 B6R0.3 NC(CS)C(=O)O CS19655 [1,1,0,0,0,0|2,0,0]=4 111 B6R0.3 NC(CS)C(=O)O MC428046 [1,1,0,0,0,0|2,0,0]=4 112 B6R0.3 NC(CS)C(=O)O MC436887 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.3 NC(CS)C(=O)O MC436888 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.3 NC(CS)C(=O)O MC439001 [1,1,0,0,0,0|2,0,0]=4 115 B6R0.3 NC(C[SeH])C(=O)O MC435423 [1,1,0,0,0,0|2,0,0]=4 116 B6R0.3 NCC(N)C(=O)O CS14756 [1,1,0,0,0,0|1,0,0]=3 117 B6R0.3 NCC(N)C(=O)O CS19624 [1,1,0,0,0,0|1,0,0]=3 118 B6R0.3 NCC(N)C(=O)O CS19672 [1,1,0,0,0,0|1,0,0]=3 119 B6R0.3 NCC(O)C(=O)O CS20294 [1,1,0,0,0,0|1,0,0]=3 120 B6R0.3 NCC(O)C(=O)O MC437816 [1,1,0,0,0,0|1,0,0]=3 121 B6R0.3 O=C(O)C(Br)CBr CS15215 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.3 O=C(O)C(O)CCl MC10790 [1,1,0,0,0,0|2,0,0]=4 123 B6R0.4 C#CCCC(=O)O MC428029 [1,1,0,0,0,0|2,0,0]=4 124 B6R0.4 C=CCCC(=O)O CS15216 [1,1,0,0,0,0|2,0,0]=4 125 B6R0.4 N#CCCC(=O)O CS22262 [1,1,0,0,0,0|1,0,1]=4 126 B6R0.4 NCCCC(=O)O CS14998 [1,1,0,0,0,0|1,0,0]=3 127 B6R0.4 NCCCC(N)=O MC112262 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.4 O=C(O)CCCBr CS14053 [1,1,0,0,0,0|2,0,0]=4 129 B6R0.7 CC(C)S(=O)(=O)Cl MC33026 [1,1,0,0,0,0|1,0,0]=3 130 B6R0.7 CC(C)S(N)(=O)=O CS15962 [1,1,0,0,0,0|1,0,0]=3 131 B6R0.7 CN(C)S(=O)(=O)Cl MC42253 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.7 CN(C)S(N)(=O)=O CS11736 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.7 NS(=O)(=O)C(F)F MC113595 [1,1,0,0,0,0|2,0,0]=4 134 B6R0.8 COS(=O)(=O)OC MC41901 [1,1,0,0,0,0|1,0,0]=3 135 B8R0.21 CCCCCS(=O)(=O)[O-] MC445019 [0,2,0,0,0,0|1,0,1]=4 136 B8R0.21 CCCCCS(=O)(=O)[O-] MC445025 [0,2,0,0,0,0|1,0,1]=4 137 B8R0.21 CCOCCS(=O)(=O)Cl CS15940 [0,2,0,0,0,0|2,0,0]=4 138 B8R0.21 CS(=O)(=O)CCCCN MC116558 [0,2,0,0,0,0|1,0,0]=3 139 B8R0.29 NS(=O)(=O)CCC(=O)O CS14468 [0,2,0,0,0,0|2,0,0]=4 140 B8R0.33 O=S(=O)(Cl)CC(F)(F)F MC429464 [0,2,0,0,0,0|2,0,0]=4 141 B8R0.12 CN(C)S(=O)(=O)CCO CS19677 [0,2,0,0,0,0|2,0,0]=4 142 B6R1.2 O=C1CCNC1 CS22412 [1,0,0,1,0,0|2,0,0]=4 143 B6R1.2 OC1CCNC1 CS16166 [1,0,0,1,0,0|2,0,0]=4 144 B6R1.2 OC1CCNC1 CS16635 [1,0,0,1,0,0|2,0,0]=4 145 B6R1.2 OC1CCNC1 CS16650 [1,0,0,1,0,0|2,0,0]=4 146 B6R1.2 OC1CCNC1 CS17407 [1,0,0,1,0,0|2,0,0]=4 147 B6R1.2 OC1CCNC1 CS21757 [1,0,0,1,0,0|2,0,0]=4 148 B6R1.5 NC1CC(=O)C1 MC444232 [1,0,0,1,0,0|2,0,0]=4 149 B6R1.5 NC1CC(O)C1 MC105248 [1,0,0,1,0,0|2,0,0]=4 150 B6R1.5 NC1CC(O)C1 MC105286 [1,0,0,1,0,0|2,0,0]=4 151 B6R1.5 NC1CC(O)C1 MC444231 [1,0,0,1,0,0|2,0,0]=4 152 B6R1.5 NC1CC(O)C1 MC444480 [1,0,0,1,0,0|2,0,0]=4 153 B6R1.5 NC1CC(O)C1 MC444598 [1,0,0,1,0,0|2,0,0]=4 154 B6R1.11 O=C(O)C1CC1 CS13839 [1,0,0,1,0,0|2,0,0]=4 155 B8R1.51 NC1CCS(=O)(=O)C1 CS22113 [0,1,0,1,0,0|1,0,0]=3 156 B8R1.51 O=C1CCS(=O)(=O)C1 CS20460 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.51 O=S1(=O)CCC(O)C1 MC107294 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.55 CS(=O)(=O)C1CNC1 CS15961 [0,1,0,1,0,0|1,0,0]=3 159 B8R1.55 NS(=O)(=O)N1CCC1 MC103080 [0,1,0,1,0,0|2,0,0]=4 160 B8R1.72 O=S1(=O)CCCCN1 MC428209 [0,1,0,1,0,0|2,0,0]=4 161 B8R1.72 O=S1(=O)CCNCC1 CS16686 [0,1,0,1,0,0|1,0,0]=3 162 B8R1.70 CC1(S(N)(=O)=O)CC1 CS12815 [0,1,0,1,0,0|2,0,0]=4