0 B6R0.4 C#CCCC(=O)Cl MC106035 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.4 C#CCCC(=O)O MC428029 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.4 C#CCCC(N)=O MC106194 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.4 C=CCCC(=O)O CS15216 [0,0,0,0,0,0|0,0,2]=2 4 B6R0.4 C=C\C=C\C(=O)O CS12033 [0,0,0,0,0,0|0,0,4]=4 5 B6R0.4 CC(=O)CCCBr CS10305 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.4 CC(=O)CCCCl CS10334 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.4 CC(=O)NCCCl MC33011 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.4 CC(C)CCCO MC428025 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.4 CCCCC(=O)Cl MC40508 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.4 CN(C)CCCBr CS22184 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.4 CN(C)CCCCl CS13505 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.4 CN(C)CCCCl CS14943 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 CNCCN(C)C CS11723 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.4 CNCCN(C)C CS15131 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.4 CO\C=C\C(C)=O MC33352 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.4 N#CCCC(=O)O CS22262 [0,0,0,0,0,0|1,0,1]=2 17 B6R0.4 NCCCC(=O)O CS14998 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.4 NCCCC(N)=O MC112262 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.4 O=C(Cl)CCCCl MC40450 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.4 O=C(O)CCCBr CS14053 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.1 C=C(C)CCBr CS14513 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 CC#CC(=O)O MC20776 [1,0,0,0,0,0|0,0,2]=3 23 B5R0.1 CCCB(O)O CS14802 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.1 CCCC(C)=O CS21731 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.1 CCC[N+](=O)[O-] MC428297 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.1 CCOC(=N)N CS11818 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 CNCC(=O)O CS18595 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.1 CNCC(N)=O MC438151 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 COCC(=O)Cl MC40491 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 COCC(=O)O CS11579 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 COCC(C)O CS20249 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 COCC(C)O CS20309 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 COCC(C)O CS20741 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 COCC(N)=O MC41924 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 COCC(N)=S MC102255 [1,0,0,0,0,0|2,1,0]=4 36 B5R0.1 CSCC(=O)Cl MC106201 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 CSCC(N)=O CS12608 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 C\C=C\C(=O)O MC41882 [1,0,0,0,0,0|0,0,2]=3 39 B5R0.1 N#CCC(=O)O MC41881 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.1 N#CCC(N)=O CS18594 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 NCCC(=O)O CS13499 [1,0,0,0,0,0|1,0,0]=2 42 B5R0.1 NCCC(N)=O MC436150 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 O=C(O)CCO MC20638 [1,0,0,0,0,0|1,0,0]=2 44 B5R0.2 BrCCCCBr MC41885 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 C=CCCON MC110761 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.2 C=CCC[Zn]Br MC121337 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.2 CCCCCBr CS20657 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.2 CCCC[Zn]Br MC121334 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.2 CCOCCBr CS21396 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 CCOCCCl MC428008 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 CNCCC#N CS22369 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.2 CNCCCO CS14200 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.2 CNCCNC CS15116 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.2 CNCCOC MC427349 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.2 COCCC#N CS22345 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.2 COCCCBr CS20649 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.2 COCCCO CS20039 [1,0,0,0,0,0|1,0,1]=3 58 B5R0.2 COCCNN MC103229 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.2 COCCNN MC107041 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.2 COCCOC MC41899 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.2 COCCOC MC445008 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.2 N#CCCCBr MC433750 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.2 NCCCCBr CS14979 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.2 NCCCCN CS19906 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,1,0,0,0,0|1,0,1]=3 66 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.2 COC(=O)CC(=O)O CS13436 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [0,1,0,0,0,0|1,0,2]=4 69 B7R0.2 COC(=O)CC(C)=O MC41927 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.2 NCC(O)CC(=O)O CS16710 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.3 C#CCCC(=O)OC MC424002 [0,1,0,0,0,0|0,0,2]=3 72 B7R0.3 CCC(O)CCCO MC116029 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.3 COC(=O)CCC=O MC21172 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.3 COC(=O)CCCBr MC427387 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.3 COC(=O)CCCN MC439309 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.3 COC(=O)CN=[N+]=[N-] MC428311 [0,1,0,0,0,0|3,0,0]=4 77 B7R0.3 COC(=O)\C=C\CBr CS13509 [0,1,0,0,0,0|1,0,2]=4 78 B7R0.3 COCCC(=O)NN MC111753 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.3 CO\C=C\C(=O)OC CS11630 [0,1,0,0,0,0|1,0,2]=4 80 B7R0.3 CSCCC(N)CO MC437961 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.4 C#CCCCC(=O)O CS14686 [0,1,0,0,0,0|0,0,1]=2 82 B7R0.4 C=CCNCC(=O)O MC439317 [0,1,0,0,0,0|0,0,2]=3 83 B7R0.4 CC#CCOC(C)=O MC434061 [0,1,0,0,0,0|1,0,2]=4 84 B7R0.4 CC(=O)CCCCBr CS10627 [0,1,0,0,0,0|1,0,0]=2 85 B7R0.4 CC(O)CCCCO MC112436 [0,1,0,0,0,0|1,0,1]=3 86 B7R0.4 CCCCCB(O)O CS22305 [0,1,0,0,0,0|1,0,1]=3 87 B7R0.4 CCCCCC(C)O CS21570 [0,1,0,0,0,0|1,0,1]=3 88 B7R0.4 CCCOCC(=O)O MC425744 [0,1,0,0,0,0|0,0,0]=1 89 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,1,0,0,0,0|1,0,1]=3 90 B7R0.4 CCO\C=C\C(=O)Cl MC425808 [0,1,0,0,0,0|1,0,2]=4 91 B7R0.4 CCO\C=C\C(=O)Cl MC427603 [0,1,0,0,0,0|1,0,2]=4 92 B7R0.4 CCO\C=C\C(=O)O CS22271 [0,1,0,0,0,0|0,0,2]=3 93 B7R0.4 CN(C)CCCCO CS22813 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.4 COCCCC(C)N MC112163 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.4 NCCCCC(=O)O MC428108 [0,1,0,0,0,0|0,0,0]=1 96 B7R0.4 NCCNCC(=O)O MC436179 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.4 O=C(O)CCCCBr MC41866 [0,1,0,0,0,0|0,0,0]=1 98 B7R0.5 C#CCC(N)C(=O)O CS13900 [0,1,0,0,0,0|0,0,2]=3 99 B7R0.5 C#CCC(N)C(=O)O MC21037 [0,1,0,0,0,0|0,0,2]=3 100 B7R0.5 C#CCC(N)C(=O)O MC438112 [0,1,0,0,0,0|0,0,2]=3 101 B7R0.5 C=CCC(N)C(=O)O MC439179 [0,1,0,0,0,0|0,0,2]=3 102 B7R0.5 CCCC(N)C(=O)O CS10518 [0,1,0,0,0,0|0,0,0]=1 103 B7R0.5 CCCC(N)C(=O)O CS17028 [0,1,0,0,0,0|0,0,0]=1 104 B7R0.5 CCCC(N)C(=O)O MC439125 [0,1,0,0,0,0|0,0,0]=1 105 B7R0.5 CCCC(N)C(N)=O MC438024 [0,1,0,0,0,0|1,0,0]=2 106 B7R0.5 COCC(N)C(=O)O CS12183 [0,1,0,0,0,0|1,0,0]=2 107 B7R0.5 COCC(N)C(=O)O CS16755 [0,1,0,0,0,0|1,0,0]=2 108 B7R0.5 COCC(N)C(=O)O CS20335 [0,1,0,0,0,0|1,0,0]=2 109 B7R0.5 CSCC(N)C(=O)O MC439293 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [0,1,0,0,0,0|1,0,0]=2 111 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [0,1,0,0,0,0|1,0,0]=2 112 B7R0.5 N#CCC(N)C(=O)O MC436869 [0,1,0,0,0,0|1,0,1]=3 113 B7R0.5 NC(CCO)C(=O)O CS13886 [0,1,0,0,0,0|1,0,0]=2 114 B7R0.5 NC(CCO)C(=O)O CS16701 [0,1,0,0,0,0|1,0,0]=2 115 B7R0.5 NC(CCO)C(=O)O CS22620 [0,1,0,0,0,0|1,0,0]=2 116 B7R0.5 NCCC(N)C(=O)O CS13874 [0,1,0,0,0,0|1,0,0]=2 117 B7R0.5 NCCC(N)C(=O)O CS15080 [0,1,0,0,0,0|1,0,0]=2 118 B7R0.5 NCCC(N)C(=O)O MC436921 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.5 NCCC(N)C(=O)O MC439091 [0,1,0,0,0,0|1,0,0]=2 120 B7R0.5 NCCC(N)C(=O)O MC439321 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.5 NCCC(O)C(=O)O CS15496 [0,1,0,0,0,0|1,0,0]=2 122 B7R0.5 NCCC(O)C(=O)O CS21759 [0,1,0,0,0,0|1,0,0]=2 123 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,1,0,0,0,0|0,0,1]=2 124 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,1,0,0,0,0|0,0,1]=2 125 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,1,0,0,0,0|1,0,1]=3 126 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,1,0,0,0,0|1,0,0]=2 127 B7R0.6 CC(C)CCC(C)N MC446673 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.6 CC(C)CO[N+](=O)[O-] MC434046 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.6 CC(N)CCC(=O)O MC435302 [0,1,0,0,0,0|0,0,0]=1 130 B7R0.6 CN(C)CCC(=O)O CS12169 [0,1,0,0,0,0|1,0,0]=2 131 B7R0.6 O=C(O)CC[N+](=O)[O-] MC442448 [0,1,0,0,0,0|2,0,0]=3 132 B7R0.6 O=C([O-])CCC(=O)[O-] MC34018 [0,1,0,0,0,0|1,0,2]=4 133 B7R0.8 CCCCS(=O)(=O)Cl MC32076 [0,1,0,0,0,0|1,0,1]=3 134 B7R0.8 CCCCS(=O)(=O)F MC32077 [0,1,0,0,0,0|1,0,1]=3 135 B7R0.8 CCCCS(=O)(=O)O MC32078 [0,1,0,0,0,0|1,0,0]=2 136 B7R0.8 CCCCS(=O)(=O)[O-] MC32079 [0,1,0,0,0,0|1,0,1]=3 137 B7R0.8 CCCCS(N)(=O)=O MC32080 [0,1,0,0,0,0|1,0,1]=3 138 B7R0.8 NCCCP(=O)(O)O CS22520 [0,1,0,0,0,0|2,0,0]=3 139 B7R0.8 NCCCS(=O)(=O)O MC20858 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.8 O=S(=O)(Cl)CCCCl MC40372 [0,1,0,0,0,0|2,0,1]=4 141 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,0,0,1,0,0|1,0,1]=3 142 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.2 CC1=NC(C)CO1 MC428186 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.2 CC1=NNC(=O)O1 CS10427 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.2 CC1=NSC(=O)O1 MC42245 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.2 CC1CCC(C)N1 MC102818 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.2 CC1COC(=O)N1 CS14300 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.2 CC1COC(=O)O1 MC428298 [0,0,0,1,0,0|1,0,0]=2 149 B7R1.2 CN1CCC(=O)C1 CS20760 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.2 CN1CCC(O)C1 MC20690 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.2 CN1CCC(O)C1 MC444062 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.2 CN1CCC(O)C1 MC444273 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.2 NC1CCC(O)C1 CS12946 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.2 NC1CCC(O)C1 CS14798 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.2 NC1CCC(O)C1 CS15869 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.2 NC1CCC(O)C1 CS16172 [0,0,0,1,0,0|2,0,1]=4 157 B7R1.2 NC1CNC(=O)C1 MC103473 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.2 NC1COC(=O)C1 CS14340 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.2 NC1COC(=O)C1 CS14674 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.2 O=C1CC(O)CN1 CS14706 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.2 O=C1CC(O)CN1 CS16472 [0,0,0,1,0,0|3,0,0]=4 162 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,0,0,1,0,0|2,0,1]=4 163 B7R1.2 O=C1CCC(I)C1 MC115016 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.3 BrC1CCCCC1 CS11079 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.3 CC1CCCCN1 MC20418 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.3 CC1CNCCO1 CS14515 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.3 CC1CNCCO1 CS14521 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.3 CC1CNCCO1 CS19299 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.3 CC1CNCCO1 CS21692 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.3 CC1CNCCO1 MC444038 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.3 CC1CNCCO1 MC444192 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.3 O=C1C=CCCC1 MC41883 [0,0,0,1,0,0|1,0,1]=3 173 B7R1.3 O=C1C=CCCN1 CS15771 [0,0,0,1,0,0|1,0,2]=4 174 B7R1.3 O=C1C=CCOC1 CS17023 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.3 O=C1CCCCN1 MC429045 [0,0,0,1,0,0|1,0,0]=2 176 B7R1.3 O=C1CCCCO1 CS11208 [0,0,0,1,0,0|0,0,0]=1 177 B7R1.3 O=C1CCCNC1 CS14768 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.3 O=C1CCCNC1 CS17767 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.3 O=C1CCCOC1 MC31097 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.3 O=C1CCNCC1 CS22790 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.3 O=C1CCOCC1 CS13380 [0,0,0,1,0,0|2,0,0]=3 182 B7R1.3 O=C1CCSCC1 CS18797 [0,0,0,1,0,0|2,0,0]=3 183 B7R1.3 O=C1CNCCN1 CS19142 [0,0,0,1,0,0|2,0,0]=3 184 B7R1.3 O=C1CNCCO1 MC441004 [0,0,0,1,0,0|1,0,0]=2 185 B7R1.3 O=C1COCCN1 CS11697 [0,0,0,1,0,0|2,0,0]=3 186 B7R1.3 O=C1COCCO1 MC20725 [0,0,0,1,0,0|1,0,0]=2 187 B7R1.3 OC1CCCNC1 CS17016 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.3 OC1CCCNC1 CS17020 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.3 OC1CCCNC1 CS22642 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.3 OC1CCCOC1 CS17782 [0,0,0,1,0,0|2,0,1]=4 191 B7R1.3 OC1CCNCC1 CS14900 [0,0,0,1,0,0|2,0,1]=4 192 B7R1.3 OC1CCNCC1 CS22643 [0,0,0,1,0,0|2,0,1]=4 193 B7R1.3 OC1CCOCC1 CS13929 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.3 OC1CCSCC1 CS12012 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.10 CCN1CC(O)C1 MC444112 [0,0,0,1,0,0|2,0,1]=4 196 B7R1.10 CNC1CC(O)C1 MC104910 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.10 CNC1CC(O)C1 MC444221 [0,0,0,1,0,0|2,0,1]=4 198 B7R1.10 NCC1CC(=O)C1 MC444212 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.10 NCC1CC(=O)N1 MC111758 [0,0,0,1,0,0|2,0,0]=3 200 B7R1.10 NCC1CC(O)C1 MC101920 [0,0,0,1,0,0|2,0,1]=4 201 B7R1.10 NCC1CC(O)C1 MC101929 [0,0,0,1,0,0|2,0,1]=4 202 B7R1.10 NCC1CC(O)C1 MC103940 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.10 NCC1CC(O)C1 MC113027 [0,0,0,1,0,0|2,0,1]=4 204 B7R1.10 NCC1CC(O)C1 MC115656 [0,0,0,1,0,0|2,0,1]=4 205 B7R1.10 O=C1CC(CI)N1 MC111759 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.10 O=C1CC(CO)C1 MC113039 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.12 CC1CC1C(=O)O MC100841 [0,0,0,1,0,0|0,0,0]=1 208 B7R1.12 CC1CC1C(=O)O MC103281 [0,0,0,1,0,0|0,0,0]=1 209 B7R1.12 CC1CC1C(N)=O MC425328 [0,0,0,1,0,0|1,0,0]=2 210 B7R1.12 NC(=O)C1CC1F MC102846 [0,0,0,1,0,0|2,0,0]=3 211 B7R1.12 O=C(O)C1CC1Br MC430635 [0,0,0,1,0,0|1,0,0]=2 212 B7R1.12 O=C(O)C1CC1F MC21162 [0,0,0,1,0,0|1,0,0]=2 213 B7R1.12 O=C(O)C1CC1F MC425300 [0,0,0,1,0,0|1,0,0]=2 214 B7R1.12 O=C(O)C1CC1F MC425301 [0,0,0,1,0,0|1,0,0]=2 215 B7R1.12 O=C(O)C1CC1F MC425302 [0,0,0,1,0,0|1,0,0]=2 216 B7R1.12 O=C(O)C1CC1F MC425316 [0,0,0,1,0,0|1,0,0]=2 217 B7R1.12 O=C(O)C1CC1I MC102749 [0,0,0,1,0,0|1,0,0]=2 218 B7R1.12 O=C(O)C1CC1I MC425298 [0,0,0,1,0,0|1,0,0]=2 219 B7R1.14 CC1(O)CCCC1 CS20768 [0,0,0,1,0,0|1,0,1]=3 220 B7R1.14 CC1(O)CCNC1 MC107172 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.18 CC(O)C1CCC1 CS20672 [0,0,0,1,0,0|1,0,1]=3 222 B7R1.18 NC(=O)C1CNC1 MC10515 [0,0,0,1,0,0|2,0,0]=3 223 B7R1.18 NC(=O)C1CNC1 MC10516 [0,0,0,1,0,0|2,0,0]=3 224 B7R1.18 O=C(O)C1CCC1 CS22786 [0,0,0,1,0,0|0,0,0]=1 225 B7R1.18 O=C(O)C1CCN1 CS16493 [0,0,0,1,0,0|1,0,0]=2 226 B7R1.18 O=C(O)C1CCN1 CS16972 [0,0,0,1,0,0|1,0,0]=2 227 B7R1.18 O=C(O)C1CCN1 CS18844 [0,0,0,1,0,0|1,0,0]=2 228 B7R1.18 O=C(O)C1CCN1 MC436280 [0,0,0,1,0,0|1,0,0]=2 229 B7R1.18 O=C(O)C1CCO1 MC115721 [0,0,0,1,0,0|1,0,0]=2 230 B7R1.18 O=C(O)C1CNC1 CS16485 [0,0,0,1,0,0|1,0,0]=2 231 B7R1.18 O=C(O)C1COC1 CS22389 [0,0,0,1,0,0|1,0,0]=2 232 B7R1.18 O=C(O)C1CSC1 MC100118 [0,0,0,1,0,0|1,0,0]=2 233 B7R1.18 OB(O)C1CCC1 CS12533 [0,0,0,1,0,0|1,0,1]=3 234 B7R1.20 N=C(N)CC1CC1 MC114877 [0,0,0,1,0,0|2,0,0]=3 235 B7R1.20 O=C(O)CC1CC1 MC433946 [0,0,0,1,0,0|0,0,0]=1 236 B4R0.1 C#CC(=O)O MC428031 [2,0,0,0,0,0|0,0,2]=4 237 B4R0.1 CC(=O)CBr MC20986 [2,0,0,0,0,0|2,0,0]=4 238 B4R0.1 CC(=O)CN CS10921 [2,0,0,0,0,0|2,0,0]=4 239 B4R0.1 CC(=O)CO CS11467 [2,0,0,0,0,0|2,0,0]=4 240 B4R0.1 CCB(O)O CS13979 [2,0,0,0,0,0|1,0,1]=4 241 B4R0.1 CCC(C)O MC10786 [2,0,0,0,0,0|1,0,1]=4 242 B4R0.1 CCC(N)=O CS11886 [2,0,0,0,0,0|1,0,0]=3 243 B4R0.1 CNC(N)=O MC10792 [2,0,0,0,0,0|2,0,0]=4 244 B4R0.1 COC(N)=O CS11667 [2,0,0,0,0,0|2,0,0]=4 245 B4R0.1 NC(=O)CBr CS21389 [2,0,0,0,0,0|2,0,0]=4 246 B4R0.1 NCC(=O)O CS19951 [2,0,0,0,0,0|1,0,0]=3 247 B4R0.1 NCC(=O)[O-] CS10910 [2,0,0,0,0,0|1,0,1]=4 248 B4R0.1 NCC(=O)[O-] MC20522 [2,0,0,0,0,0|1,0,1]=4 249 B4R0.1 NCC(N)=O CS13806 [2,0,0,0,0,0|2,0,0]=4 250 B4R0.1 NCC(N)=O MC437712 [2,0,0,0,0,0|2,0,0]=4 251 B4R0.1 O=C(Cl)CBr MC21000 [2,0,0,0,0,0|2,0,0]=4 252 B4R0.1 O=C(O)CCl MC41871 [2,0,0,0,0,0|1,0,0]=3 253 B4R0.1 O=C(O)CO CS19334 [2,0,0,0,0,0|1,0,0]=3 254 B4R0.1 O=C([O-])CCl MC41872 [2,0,0,0,0,0|1,0,1]=4 255 B4R0.2 C=COCC MC41915 [2,0,0,0,0,0|1,0,1]=4 256 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|0,0,0]=2 257 B4R0.2 CCCCO MC41869 [2,0,0,0,0,0|0,0,0]=2 258 B4R0.2 CCC[Zn]Br MC121348 [2,0,0,0,0,0|2,0,0]=4 259 B4R0.2 CCNCC CS11240 [2,0,0,0,0,0|1,0,1]=4 260 B4R0.2 CCOC=N MC33024 [2,0,0,0,0,0|2,0,0]=4 261 B4R0.2 CCOC=O MC41912 [2,0,0,0,0,0|1,0,0]=3 262 B4R0.2 CCOCC MC41960 [2,0,0,0,0,0|1,0,1]=4 263 B4R0.2 CC[Zn]CC MC10752 [2,0,0,0,0,0|1,0,1]=4 264 B4R0.2 CNCCO CS20910 [2,0,0,0,0,0|1,0,0]=3 265 B4R0.2 COCCCl MC428007 [2,0,0,0,0,0|2,0,0]=4 266 B4R0.2 C\C=C\C=O MC41879 [2,0,0,0,0,0|0,0,2]=4 267 B4R0.2 ClCCCBr MC41861 [2,0,0,0,0,0|2,0,0]=4 268 B4R0.2 NCCCBr CS22190 [2,0,0,0,0,0|2,0,0]=4 269 B4R0.2 NCCCS MC428180 [2,0,0,0,0,0|1,1,0]=4 270 B4R0.2 [NH3+]CCCS MC428140 [2,0,0,0,0,0|1,1,0]=4 271 B6R0.1 C#CC(=O)OCC MC434052 [1,1,0,0,0,0|2,0,0]=4 272 B6R0.1 CCCC(=O)NN CS22544 [1,1,0,0,0,0|1,0,0]=3 273 B6R0.1 CCCC(O)CO CS20495 [1,1,0,0,0,0|0,0,2]=4 274 B6R0.1 CCNC(=O)NC MC428152 [1,1,0,0,0,0|2,0,0]=4 275 B6R0.1 CCOC(=O)CBr MC41907 [1,1,0,0,0,0|2,0,0]=4 276 B6R0.1 CCOC(=O)CCl MC41910 [1,1,0,0,0,0|2,0,0]=4 277 B6R0.1 CCOC(=O)CN CS15347 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.1 CCOC(=O)CO CS11386 [1,1,0,0,0,0|1,0,0]=3 279 B6R0.1 CCOC(=O)NN CS11383 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.1 CNC(=O)CCN MC112263 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.1 CNCC(=O)OC MC438154 [1,1,0,0,0,0|1,0,0]=3 282 B6R0.1 COC(=O)CC#N MC428339 [1,1,0,0,0,0|1,0,1]=4 283 B6R0.1 COC(=O)CCBr CS18993 [1,1,0,0,0,0|1,0,0]=3 284 B6R0.1 COC(=O)CCN CS22266 [1,1,0,0,0,0|1,0,0]=3 285 B6R0.1 COCC(=O)NN CS11580 [1,1,0,0,0,0|2,0,0]=4 286 B6R0.1 C\C=C\C(=O)OC MC41953 [1,1,0,0,0,0|0,0,2]=4 287 B6R0.2 CC(Br)CC(=O)O MC106689 [1,1,0,0,0,0|0,0,0]=2 288 B6R0.2 CC(Br)CC(N)=S MC106193 [1,1,0,0,0,0|1,1,0]=4 289 B6R0.2 CC(C)=CC(=O)O CS14947 [1,1,0,0,0,0|0,0,2]=4 290 B6R0.2 CC(C)CB(O)O CS22276 [1,1,0,0,0,0|1,0,1]=4 291 B6R0.2 CC(N)CC(=O)O CS19028 [1,1,0,0,0,0|0,0,0]=2 292 B6R0.2 CC(N)CC(=O)O CS20346 [1,1,0,0,0,0|0,0,0]=2 293 B6R0.2 CC(N)CC(=O)O MC439098 [1,1,0,0,0,0|0,0,0]=2 294 B6R0.2 CC(O)CC(=O)O MC426020 [1,1,0,0,0,0|0,0,0]=2 295 B6R0.2 CC(O)CC(=O)O MC426021 [1,1,0,0,0,0|0,0,0]=2 296 B6R0.2 CC(O)CC(=O)[O-] CS20253 [1,1,0,0,0,0|0,0,1]=3 297 B6R0.2 CN(C)CC(=O)O CS13413 [1,1,0,0,0,0|1,0,0]=3 298 B6R0.2 NC([SeH])CC(=O)O MC435590 [1,1,0,0,0,0|1,0,0]=3 299 B6R0.2 NC([SeH])CC(=O)O MC435591 [1,1,0,0,0,0|1,0,0]=3 300 B6R0.2 O=C(O)CC(=O)O MC41922 [1,1,0,0,0,0|1,0,1]=4 301 B6R0.2 O=C(O)CC(=O)O MC41938 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.3 C=CC(N)C(=O)O MC21080 [1,1,0,0,0,0|0,0,2]=4 303 B6R0.3 CC(CN)C(=O)O MC105846 [1,1,0,0,0,0|1,0,0]=3 304 B6R0.3 CC(CN)C(=O)O MC105847 [1,1,0,0,0,0|1,0,0]=3 305 B6R0.3 CCC(=O)C(=O)O CS21626 [1,1,0,0,0,0|0,0,1]=3 306 B6R0.3 CCC(Br)C(=O)O MC426015 [1,1,0,0,0,0|0,0,0]=2 307 B6R0.3 CCC(Cl)C(=O)O MC426016 [1,1,0,0,0,0|0,0,0]=2 308 B6R0.3 CCC(N)B(O)O MC442680 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.3 CCC(N)B(O)O MC442681 [1,1,0,0,0,0|1,0,1]=4 310 B6R0.3 CCC(N)C(=O)O CS13661 [1,1,0,0,0,0|0,0,0]=2 311 B6R0.3 CCC(N)C(=O)O CS14054 [1,1,0,0,0,0|0,0,0]=2 312 B6R0.3 CCC(N)C(=O)O CS14084 [1,1,0,0,0,0|0,0,0]=2 313 B6R0.3 CCC(N)C(N)=O CS15891 [1,1,0,0,0,0|1,0,0]=3 314 B6R0.3 CCC(N)C(N)=O MC436006 [1,1,0,0,0,0|1,0,0]=3 315 B6R0.3 CNC(C)C(=O)O MC428068 [1,1,0,0,0,0|1,0,0]=3 316 B6R0.3 CNC(C)C(=O)O MC428076 [1,1,0,0,0,0|1,0,0]=3 317 B6R0.3 CNC(C)C(=O)O MC428084 [1,1,0,0,0,0|1,0,0]=3 318 B6R0.3 COC(C)C(=O)O CS14024 [1,1,0,0,0,0|1,0,0]=3 319 B6R0.3 COC(C)C(=O)O MC425243 [1,1,0,0,0,0|1,0,0]=3 320 B6R0.3 NC(=O)C(N)CO MC438160 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.3 NC(CCl)C(=O)O MC436849 [1,1,0,0,0,0|1,0,0]=3 322 B6R0.3 NC(CCl)C(=O)O MC436850 [1,1,0,0,0,0|1,0,0]=3 323 B6R0.3 NC(CCl)C(=O)O MC436851 [1,1,0,0,0,0|1,0,0]=3 324 B6R0.3 NC(CCl)C(=O)O MC436852 [1,1,0,0,0,0|1,0,0]=3 325 B6R0.3 NC(CF)C(=O)O MC437009 [1,1,0,0,0,0|1,0,0]=3 326 B6R0.3 NC(CO)C(=O)O CS14731 [1,1,0,0,0,0|1,0,0]=3 327 B6R0.3 NC(CO)C(=O)O CS18949 [1,1,0,0,0,0|1,0,0]=3 328 B6R0.3 NC(CO)C(=O)O CS19144 [1,1,0,0,0,0|1,0,0]=3 329 B6R0.3 NC(CS)C(=O)O CS19113 [1,1,0,0,0,0|1,0,0]=3 330 B6R0.3 NC(CS)C(=O)O CS19417 [1,1,0,0,0,0|1,0,0]=3 331 B6R0.3 NC(CS)C(=O)O CS19655 [1,1,0,0,0,0|1,0,0]=3 332 B6R0.3 NC(CS)C(=O)O MC428046 [1,1,0,0,0,0|1,0,0]=3 333 B6R0.3 NC(CS)C(=O)O MC436887 [1,1,0,0,0,0|1,0,0]=3 334 B6R0.3 NC(CS)C(=O)O MC436888 [1,1,0,0,0,0|1,0,0]=3 335 B6R0.3 NC(CS)C(=O)O MC439001 [1,1,0,0,0,0|1,0,0]=3 336 B6R0.3 NC(C[SeH])C(=O)O MC435423 [1,1,0,0,0,0|1,0,0]=3 337 B6R0.3 NCC(N)C(=O)O CS14756 [1,1,0,0,0,0|1,0,0]=3 338 B6R0.3 NCC(N)C(=O)O CS19624 [1,1,0,0,0,0|1,0,0]=3 339 B6R0.3 NCC(N)C(=O)O CS19672 [1,1,0,0,0,0|1,0,0]=3 340 B6R0.3 NCC(O)C(=O)O CS20294 [1,1,0,0,0,0|1,0,0]=3 341 B6R0.3 NCC(O)C(=O)O MC437816 [1,1,0,0,0,0|1,0,0]=3 342 B6R0.3 O=C(O)C(Br)CBr CS15215 [1,1,0,0,0,0|1,0,0]=3 343 B6R0.3 O=C(O)C(O)CCl MC10790 [1,1,0,0,0,0|1,0,0]=3 344 B6R0.5 CCCS(=O)(=O)Cl MC20992 [1,1,0,0,0,0|1,0,1]=4 345 B6R0.5 CCCS(=O)(=O)O MC32073 [1,1,0,0,0,0|1,0,0]=3 346 B6R0.5 CCCS(=O)(=O)[O-] MC32074 [1,1,0,0,0,0|1,0,1]=4 347 B6R0.5 CCCS(N)(=O)=O MC32075 [1,1,0,0,0,0|1,0,1]=4 348 B6R0.5 CNCP(=O)(O)O MC101885 [1,1,0,0,0,0|2,0,0]=4 349 B6R0.6 BrCCCCCBr MC41886 [1,1,0,0,0,0|1,0,1]=4 350 B6R0.6 C#CCCCCO MC424004 [1,1,0,0,0,0|0,0,2]=4 351 B6R0.6 C=CCCCCCl MC427568 [1,1,0,0,0,0|1,0,0]=3 352 B6R0.6 C=CCCCCN MC111853 [1,1,0,0,0,0|1,0,0]=3 353 B6R0.6 C=CCCCCO CS10397 [1,1,0,0,0,0|1,0,0]=3 354 B6R0.6 C=CCCC[Zn]Br MC121349 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.6 C=COCCCN MC41859 [1,1,0,0,0,0|2,0,0]=4 356 B6R0.6 CCCOCCCl MC428009 [1,1,0,0,0,0|1,0,1]=4 357 B6R0.6 COCCCC=O MC111975 [1,1,0,0,0,0|0,0,0]=2 358 B6R0.6 COCCCCBr CS22933 [1,1,0,0,0,0|1,0,1]=4 359 B6R0.6 COCCCCCl MC428014 [1,1,0,0,0,0|1,0,1]=4 360 B6R0.6 FCCCCCBr CS14708 [1,1,0,0,0,0|1,0,1]=4 361 B6R0.6 FCCCC[Mg]Br MC116032 [1,1,0,0,0,0|2,0,0]=4 362 B6R0.6 N#CCCCCCl CS10359 [1,1,0,0,0,0|1,0,1]=4 363 B6R0.6 NCCCCCN CS19074 [1,1,0,0,0,0|1,0,1]=4 364 B6R0.6 OCCCCCCl CS14778 [1,1,0,0,0,0|0,0,1]=3 365 B6R0.6 OCCCCCO CS20549 [1,1,0,0,0,0|0,0,1]=3 366 B6R0.6 OCCOCCO MC41893 [1,1,0,0,0,0|1,0,1]=4 367 B8R0.2 CCC(C)C(N)C(=O)O MC20633 [0,2,0,0,0,0|0,0,0]=2 368 B8R0.2 CCC(C)C(N)C(=O)O MC437790 [0,2,0,0,0,0|0,0,0]=2 369 B8R0.2 CCC(C)C(N)C(=O)O MC437791 [0,2,0,0,0,0|0,0,0]=2 370 B8R0.2 CCC(C)C(N)C(=O)O MC437792 [0,2,0,0,0,0|0,0,0]=2 371 B8R0.2 CCC(C)C(N)C(=O)O MC437793 [0,2,0,0,0,0|0,0,0]=2 372 B8R0.2 CCC(C)C(N)C(=O)O MC437794 [0,2,0,0,0,0|0,0,0]=2 373 B8R0.2 CCC(C)C(N)C(N)=O MC437802 [0,2,0,0,0,0|1,0,0]=3 374 B8R0.2 COC(C)C(N)C(=O)O MC439018 [0,2,0,0,0,0|1,0,0]=3 375 B8R0.2 O=C(O)C(O)C(O)CO MC20861 [0,2,0,0,0,0|1,0,0]=3 376 B8R0.2 O=C([O-])C(O)C(O)CO CS13317 [0,2,0,0,0,0|1,0,1]=4 377 B8R0.2 O=C([O-])C(O)C(O)CO MC428259 [0,2,0,0,0,0|1,0,1]=4 378 B8R0.5 CCOC(=O)CC(=O)Cl MC20855 [0,2,0,0,0,0|1,0,1]=4 379 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,2,0,0,0,0|1,0,1]=4 380 B8R0.5 CCOC(=O)CC(N)=O CS18301 [0,2,0,0,0,0|1,0,1]=4 381 B8R0.19 CCC(=O)CC(=O)CC CS22007 [0,2,0,0,0,0|1,0,1]=4 382 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,2,0,0,0,0|0,0,1]=3 383 B8R0.19 COC(=O)CC(=O)CCl MC20592 [0,2,0,0,0,0|1,0,1]=4 384 B8R0.19 COC(=O)CC(O)CCl CS18252 [0,2,0,0,0,0|1,0,0]=3 385 B8R0.23 C=C(C)CC(N)C(=O)O MC436932 [0,2,0,0,0,0|0,0,1]=3 386 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,2,0,0,0,0|1,0,1]=4 387 B8R0.23 CC(=O)NC(C)C(=O)O MC436012 [0,2,0,0,0,0|1,0,1]=4 388 B8R0.23 CC(=O)NC(C)C(=O)O MC436013 [0,2,0,0,0,0|1,0,1]=4 389 B8R0.23 CC(=O)NC(C)C(=O)O MC436014 [0,2,0,0,0,0|1,0,1]=4 390 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [0,2,0,0,0,0|0,0,0]=2 391 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,2,0,0,0,0|0,0,0]=2 392 B8R0.23 CC(C)CC(N)B(O)O MC442652 [0,2,0,0,0,0|1,0,1]=4 393 B8R0.23 CC(C)CC(N)B(O)O MC442682 [0,2,0,0,0,0|1,0,1]=4 394 B8R0.23 CC(C)CC(N)B(O)O MC442688 [0,2,0,0,0,0|1,0,1]=4 395 B8R0.23 CC(C)CC(N)B(O)O MC442689 [0,2,0,0,0,0|1,0,1]=4 396 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,2,0,0,0,0|0,0,0]=2 397 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,2,0,0,0,0|0,0,0]=2 398 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,2,0,0,0,0|0,0,0]=2 399 B8R0.23 CC(C)CC(N)C(N)=O MC437832 [0,2,0,0,0,0|1,0,0]=3 400 B8R0.23 CC(C)CC(N)C(N)=O MC437833 [0,2,0,0,0,0|1,0,0]=3 401 B8R0.23 CC(C)CC(N)C(N)=O MC437834 [0,2,0,0,0,0|1,0,0]=3 402 B8R0.23 CC(C)CC(N)C(N)=O MC437835 [0,2,0,0,0,0|1,0,0]=3 403 B8R0.23 CC(C)CC(N)C(N)=O MC437836 [0,2,0,0,0,0|1,0,0]=3 404 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,2,0,0,0,0|0,0,0]=2 405 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,2,0,0,0,0|0,0,0]=2 406 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,2,0,0,0,0|0,0,0]=2 407 B8R0.23 NC(=O)C(N)CC(=O)O MC436247 [0,2,0,0,0,0|1,0,1]=4 408 B8R0.23 NC(=O)C(N)CC(=O)O MC436248 [0,2,0,0,0,0|1,0,1]=4 409 B8R0.23 NC(=O)CC(N)C(=O)O CS19152 [0,2,0,0,0,0|1,0,1]=4 410 B8R0.23 NC(=O)CC(N)C(=O)O MC436231 [0,2,0,0,0,0|1,0,1]=4 411 B8R0.23 NC(CC(=O)O)C(=O)O CS18065 [0,2,0,0,0,0|1,0,1]=4 412 B8R0.23 NC(CC(=O)O)C(=O)O MC436244 [0,2,0,0,0,0|1,0,1]=4 413 B8R0.23 O=C(O)CC(O)C(=O)O CS11286 [0,2,0,0,0,0|1,0,1]=4 414 B8R0.23 O=C(O)CC(O)C(=O)O MC20429 [0,2,0,0,0,0|1,0,1]=4 415 B8R0.1 C#CCCC(=O)OCC MC424003 [0,2,0,0,0,0|0,0,2]=4 416 B8R0.1 CCOC(=O)CCCO MC111642 [0,2,0,0,0,0|1,0,0]=3 417 B8R0.3 C#CCC(N)C(=O)OC MC438113 [0,2,0,0,0,0|0,0,2]=4 418 B8R0.3 CCCC(N)C(=O)OC MC438026 [0,2,0,0,0,0|0,0,0]=2 419 B8R0.3 COC(=O)C(Br)CCBr MC41887 [0,2,0,0,0,0|1,0,0]=3 420 B8R0.6 CCCCCC(O)CCl MC114490 [0,2,0,0,0,0|1,0,1]=4 421 B8R0.6 CCCCNC(=O)CCl CS11766 [0,2,0,0,0,0|1,0,0]=3 422 B8R0.6 CCCSCC(=O)OC MC434048 [0,2,0,0,0,0|0,0,0]=2 423 B8R0.6 OCCCCC(O)CO MC41917 [0,2,0,0,0,0|0,0,2]=4 424 B8R0.8 CCCCC(N)B(O)O MC442653 [0,2,0,0,0,0|1,0,1]=4 425 B8R0.8 CCCCC(N)C(=O)O MC428079 [0,2,0,0,0,0|0,0,0]=2 426 B8R0.8 CCCCC(N)C(=O)O MC428113 [0,2,0,0,0,0|0,0,0]=2 427 B8R0.8 CCCCC(N)C(=O)O MC428121 [0,2,0,0,0,0|0,0,0]=2 428 B8R0.8 CCCCC(N)C(N)=O MC438017 [0,2,0,0,0,0|1,0,0]=3 429 B8R0.8 CN(C)C(=O)CCCN MC112306 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.8 CSCCC(N)C(=O)O CS18644 [0,2,0,0,0,0|0,0,0]=2 431 B8R0.8 CSCCC(N)C(=O)O MC428038 [0,2,0,0,0,0|0,0,0]=2 432 B8R0.8 CSCCC(N)C(=O)O MC428332 [0,2,0,0,0,0|0,0,0]=2 433 B8R0.8 CSCCC(N)C(N)=O MC437951 [0,2,0,0,0,0|1,0,0]=3 434 B8R0.8 CSCCC(N)C(N)=O MC439009 [0,2,0,0,0,0|1,0,0]=3 435 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [0,2,0,0,0,0|0,0,0]=2 436 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [0,2,0,0,0,0|0,0,0]=2 437 B8R0.8 NCCCC(N)C(=O)O CS22279 [0,2,0,0,0,0|0,0,0]=2 438 B8R0.8 NCCCC(N)C(=O)O MC438045 [0,2,0,0,0,0|0,0,0]=2 439 B8R0.8 NCCCC(N)C(=O)O MC439200 [0,2,0,0,0,0|0,0,0]=2 440 B8R0.8 NOCCC(N)C(=O)O MC100566 [0,2,0,0,0,0|1,0,0]=3 441 B8R0.8 NOCCC(N)C(=O)O MC114097 [0,2,0,0,0,0|1,0,0]=3 442 B8R0.9 C=CC(=O)OCC(C)O CS21600 [0,2,0,0,0,0|2,0,0]=4 443 B8R0.9 COC(=O)CCC(=O)O CS11694 [0,2,0,0,0,0|0,0,1]=3 444 B8R0.9 COC(=O)CCS(=O)[O-] CS11954 [0,2,0,0,0,0|2,0,0]=4 445 B8R0.9 NCC(=O)CCC(=O)O CS10222 [0,2,0,0,0,0|0,0,1]=3 446 B8R0.9 NCC(=O)CCC(=O)O MC34214 [0,2,0,0,0,0|0,0,1]=3 447 B8R0.9 O=C(O)CNC(=O)CCl MC436845 [0,2,0,0,0,0|1,0,1]=4 448 B8R0.7 CCCCCCB(O)O MC31067 [0,2,0,0,0,0|1,0,1]=4 449 B8R0.7 COCCOCC(=O)O MC10458 [0,2,0,0,0,0|0,0,0]=2 450 B8R0.7 CSCCCCC(=O)O MC112374 [0,2,0,0,0,0|0,0,0]=2 451 B8R0.7 N=C(N)NCCCCN MC436135 [0,2,0,0,0,0|2,0,0]=4 452 B8R0.7 NCCCCCC(=O)O CS13381 [0,2,0,0,0,0|0,0,0]=2 453 B8R0.7 O=C(O)CCCCCBr CS18405 [0,2,0,0,0,0|0,0,0]=2 454 B8R0.21 CCCCCS(=O)(=O)[O-] MC445019 [0,2,0,0,0,0|1,0,1]=4 455 B8R0.21 CCCCCS(=O)(=O)[O-] MC445025 [0,2,0,0,0,0|1,0,1]=4 456 B8R0.21 CCOCCS(=O)(=O)Cl CS15940 [0,2,0,0,0,0|1,0,1]=4 457 B8R0.21 CS(=O)(=O)CCCCN MC116558 [0,2,0,0,0,0|1,0,1]=4 458 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,2,0,0,0,0|0,0,0]=2 459 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [0,2,0,0,0,0|0,0,2]=4 460 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [0,2,0,0,0,0|0,0,2]=4 461 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [0,2,0,0,0,0|0,0,2]=4 462 B8R0.28 NC(=O)NCCC(=O)O MC436834 [0,2,0,0,0,0|1,0,1]=4 463 B8R0.28 O=C(O)CCCC(=O)O MC20876 [0,2,0,0,0,0|0,0,1]=3 464 B8R0.28 O=C(O)COCC(O)=S MC445127 [0,2,0,0,0,0|1,0,1]=4 465 B8R0.12 C=CCC(C)(C)C(=O)O MC20650 [0,2,0,0,0,0|0,0,2]=4 466 B8R0.12 CC(C)(CCN)C(=O)O MC442790 [0,2,0,0,0,0|1,0,0]=3 467 B8R0.12 COCC(F)(F)C(=O)O MC104134 [0,2,0,0,0,0|1,0,0]=3 468 B8R0.15 CCCC(NC)C(=O)O MC435490 [0,2,0,0,0,0|0,0,0]=2 469 B8R0.15 CCCC(NC)C(=O)O MC437925 [0,2,0,0,0,0|0,0,0]=2 470 B8R0.29 CC(C)(C)NCC(=O)O MC42032 [0,2,0,0,0,0|1,0,0]=3 471 B8R0.29 NS(=O)(=O)CCC(=O)O CS14468 [0,2,0,0,0,0|2,0,0]=4 472 B8R0.29 O=C(O)CCC(F)(F)F CS22479 [0,2,0,0,0,0|1,0,0]=3 473 B6R1.2 CC1=NCCC1 CS21664 [1,0,0,1,0,0|2,0,0]=4 474 B6R1.2 CC1CCCO1 MC20580 [1,0,0,1,0,0|1,0,1]=4 475 B6R1.2 NC1=NCCC1 CS19310 [1,0,0,1,0,0|2,0,0]=4 476 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,1,0,0|1,0,0]=3 477 B6R1.2 O=C1CCNC1 CS22412 [1,0,0,1,0,0|2,0,0]=4 478 B6R1.2 O=C1CCOC1 CS18178 [1,0,0,1,0,0|2,0,0]=4 479 B6R1.2 O=C1CCSC1 MC20305 [1,0,0,1,0,0|2,0,0]=4 480 B6R1.2 O=C1CNCN1 CS15654 [1,0,0,1,0,0|2,0,0]=4 481 B6R1.2 O=C1NCCN1 CS21607 [1,0,0,1,0,0|2,0,0]=4 482 B6R1.2 O=C1NCCS1 CS20525 [1,0,0,1,0,0|1,1,0]=4 483 B6R1.2 O=C1OCCO1 CS20012 [1,0,0,1,0,0|1,0,0]=3 484 B6R1.5 NC1CC(=O)C1 MC444232 [1,0,0,1,0,0|2,0,0]=4 485 B6R1.5 O=C1CC(F)C1 MC104154 [1,0,0,1,0,0|2,0,0]=4 486 B6R1.11 N=C(N)C1CC1 CS16535 [1,0,0,1,0,0|2,0,0]=4 487 B6R1.11 NC(=O)C1CC1 CS16456 [1,0,0,1,0,0|1,0,0]=3 488 B6R1.11 NC(=S)C1CC1 MC21067 [1,0,0,1,0,0|1,1,0]=4 489 B6R1.11 O=C(Cl)C1CC1 MC434039 [1,0,0,1,0,0|1,0,0]=3 490 B6R1.11 O=C(O)C1CC1 CS13839 [1,0,0,1,0,0|0,0,0]=2 491 B6R1.11 O=C([O-])C1CO1 CS17514 [1,0,0,1,0,0|1,0,1]=4 492 B6R1.11 OB(O)C1CC1 MC20194 [1,0,0,1,0,0|1,0,1]=4 493 B6R1.1 C1=CCNCC1 MC444071 [1,0,0,1,0,0|2,0,0]=4 494 B6R1.1 C1=CCOCC1 MC427315 [1,0,0,1,0,0|2,0,0]=4 495 B6R1.1 C1=CCSCC1 MC427366 [1,0,0,1,0,0|2,0,0]=4 496 B6R1.1 C1=COCCC1 MC20500 [1,0,0,1,0,0|0,0,1]=3 497 B6R1.1 C1CCCCC1 MC41853 [1,0,0,1,0,0|1,0,1]=4 498 B6R1.1 C1CCNNC1 CS17893 [1,0,0,1,0,0|2,0,0]=4 499 B6R1.1 C1CC[NH2+]CC1 CS16333 [1,0,0,1,0,0|1,0,1]=4 500 B6R1.1 C1COCCN1 MC20726 [1,0,0,1,0,0|1,0,1]=4 501 B6R1.4 CC1COC1=O MC121237 [1,0,0,1,0,0|1,0,0]=3 502 B6R1.4 NC1CCC1O MC111877 [1,0,0,1,0,0|1,0,1]=4 503 B6R1.6 BrCC1CCC1 MC10470 [1,0,0,1,0,0|1,0,1]=4 504 B6R1.6 BrCC1CCO1 MC444177 [1,0,0,1,0,0|1,0,1]=4 505 B6R1.6 Cl[Zn]C1CCC1 MC121327 [1,0,0,1,0,0|2,0,0]=4 506 B6R1.6 NCC1CCC1 CS11178 [1,0,0,1,0,0|1,0,1]=4 507 B6R1.6 NCC1CCO1 MC121118 [1,0,0,1,0,0|1,0,1]=4 508 B6R1.6 NNC1CCC1 MC111229 [1,0,0,1,0,0|2,0,0]=4 509 B6R1.6 OCC1CCN1 CS15230 [1,0,0,1,0,0|1,0,1]=4 510 B6R1.6 OCC1CCN1 MC102029 [1,0,0,1,0,0|1,0,1]=4 511 B6R1.6 OCC1CCN1 MC102030 [1,0,0,1,0,0|1,0,1]=4 512 B6R1.6 OCC1CCO1 CS15009 [1,0,0,1,0,0|1,0,1]=4 513 B6R1.6 OCC1CNC1 CS12891 [1,0,0,1,0,0|1,0,1]=4 514 B6R1.6 OCC1CNC1 MC444028 [1,0,0,1,0,0|1,0,1]=4 515 B6R1.6 OCC1COC1 CS14670 [1,0,0,1,0,0|1,0,1]=4 516 B8R1.1 NCC1CNC(=O)C1 MC101927 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.1 NCC1CNC(=O)C1 MC105678 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.1 NCC1CNC(=O)C1 MC121239 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.1 NCC1CNC(=O)O1 MC103408 [0,1,0,1,0,0|1,0,0]=3 520 B8R1.1 NCC1COC(=O)N1 MC104254 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.1 O=C1C=CC(CO)O1 MC20390 [0,1,0,1,0,0|0,0,2]=4 522 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,1,0,1,0,0|1,0,0]=3 523 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,1,0,1,0,0|1,0,0]=3 524 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,1,0,1,0,0|1,0,0]=3 525 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,1,0,1,0,0|1,0,0]=3 528 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,1,0,1,0,0|1,0,0]=3 529 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.4 CC1CC(O)CCN1 MC102122 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.4 CC1CC(O)CCN1 MC102123 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.4 CC1CC(O)CCN1 MC102289 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.4 CC1CC(O)CCO1 MC31218 [0,1,0,1,0,0|1,0,1]=4 537 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,1,0,1,0,0|1,0,0]=3 539 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,1,0,1,0,0|1,0,0]=3 540 B8R1.4 CC1CNCC(C)O1 MC121304 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.4 CC1CNCC(C)O1 MC428243 [0,1,0,1,0,0|1,0,1]=4 542 B8R1.4 CC1CNCC(C)O1 MC444593 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.4 CN1CCCC(O)C1 MC445500 [0,1,0,1,0,0|1,0,1]=4 544 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,1,0,1,0,0|1,0,0]=3 546 B8R1.4 NC1CCCC(O)C1 CS17342 [0,1,0,1,0,0|1,0,1]=4 547 B8R1.4 NC1CCCC(O)C1 CS18558 [0,1,0,1,0,0|1,0,1]=4 548 B8R1.4 NC1CCCC(O)C1 MC116000 [0,1,0,1,0,0|1,0,1]=4 549 B8R1.4 NC1CCCC(O)C1 MC116001 [0,1,0,1,0,0|1,0,1]=4 550 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,1,0,1,0,0|1,0,0]=3 551 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,1,0,1,0,0|1,0,0]=3 552 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,1,0,1,0,0|1,0,1]=4 553 B8R1.4 O=C1CCCC(=O)O1 CS11243 [0,1,0,1,0,0|0,0,1]=3 554 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,1,0,1,0,0|1,0,1]=4 556 B8R1.18 CC1CC(S)C(C)O1 MC115503 [0,1,0,1,0,0|1,0,1]=4 557 B8R1.31 NC1CCC1C(=O)O MC104253 [0,1,0,1,0,0|0,0,0]=2 558 B8R1.31 NC1CCC1C(=O)O MC104335 [0,1,0,1,0,0|0,0,0]=2 559 B8R1.31 NC1CCC1C(=O)O MC104421 [0,1,0,1,0,0|0,0,0]=2 560 B8R1.31 NC1CCC1C(=O)O MC105420 [0,1,0,1,0,0|0,0,0]=2 561 B8R1.34 CC(=O)SC1CNC1 MC103969 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.34 O=C(O)CC1CCC1 CS11177 [0,1,0,1,0,0|0,0,0]=2 563 B8R1.34 O=C(O)CC1CNC1 MC103917 [0,1,0,1,0,0|0,0,0]=2 564 B8R1.34 O=C(O)CC1CNC1 MC444240 [0,1,0,1,0,0|0,0,0]=2 565 B8R1.34 O=C(O)CC1COC1 MC444158 [0,1,0,1,0,0|0,0,0]=2 566 B8R1.34 O=[N+]([O-])CC1COC1 MC113199 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.51 CC1(C)CNC(=O)C1 CS22480 [0,1,0,1,0,0|2,0,0]=4 568 B8R1.51 CC1(C)CNC(=O)N1 MC443125 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.51 CC1(O)CCC(N)C1 MC104923 [0,1,0,1,0,0|1,0,1]=4 570 B8R1.51 NC1CCS(=O)(=O)C1 CS22113 [0,1,0,1,0,0|1,0,1]=4 571 B8R1.51 O=S1(=O)CCC(O)C1 MC107294 [0,1,0,1,0,0|1,0,1]=4 572 B8R1.83 COC(=O)C1CC1Br MC430638 [0,1,0,1,0,0|1,0,0]=3 573 B8R1.2 BrCC1=CCCCC1 MC103521 [0,1,0,1,0,0|2,0,0]=4 574 B8R1.2 NOC1CCCCO1 CS17026 [0,1,0,1,0,0|0,0,2]=4 575 B8R1.2 O=CC1=CCCOC1 CS10171 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.2 O=CC1CCCCC1 MC20143 [0,1,0,1,0,0|1,0,1]=4 577 B8R1.2 OCC1CCCCC1 MC20144 [0,1,0,1,0,0|1,0,1]=4 578 B8R1.2 OCC1CCCCN1 CS21780 [0,1,0,1,0,0|1,0,1]=4 579 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,1,0,1,0,0|1,0,1]=4 580 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,1,0,1,0,0|1,0,0]=3 583 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,1,0,1,0,0|1,0,0]=3 585 B8R1.3 NC1CCC(O)CC1 CS12038 [0,1,0,1,0,0|1,0,1]=4 586 B8R1.3 NC1CCC(O)CC1 CS15381 [0,1,0,1,0,0|1,0,1]=4 587 B8R1.3 NC1CCC(O)CC1 CS18581 [0,1,0,1,0,0|1,0,1]=4 588 B8R1.3 NC1CCC(O)CC1 CS18592 [0,1,0,1,0,0|1,0,1]=4 589 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,1,0,1,0,0|1,0,1]=4 590 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,1,0,1,0,0|1,0,1]=4 591 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,1,0,1,0,0|1,0,0]=3 592 B8R1.3 OC1CCC(O)CC1 CS20531 [0,1,0,1,0,0|1,0,1]=4 593 B8R1.3 OC1CCC(O)CC1 MC103601 [0,1,0,1,0,0|1,0,1]=4 594 B8R1.5 CC1CCNCC1=O MC105562 [0,1,0,1,0,0|2,0,0]=4 595 B8R1.5 CC1CNCCC1=O MC106748 [0,1,0,1,0,0|2,0,0]=4 596 B8R1.5 CC1COCCC1=O MC425868 [0,1,0,1,0,0|2,0,0]=4 597 B8R1.5 CN1CCNCC1=O CS17040 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.5 CN1CCNCC1=O CS18390 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.5 NC1CCCCC1O CS12403 [0,1,0,1,0,0|1,0,1]=4 600 B8R1.5 NC1CCCCC1O CS12547 [0,1,0,1,0,0|1,0,1]=4 601 B8R1.5 NC1CCCCC1O CS12548 [0,1,0,1,0,0|1,0,1]=4 602 B8R1.5 NC1CCCCC1O CS14928 [0,1,0,1,0,0|1,0,1]=4 603 B8R1.5 NC1CCCCC1O CS18590 [0,1,0,1,0,0|1,0,1]=4 604 B8R1.5 NC1CCCCC1O MC20710 [0,1,0,1,0,0|1,0,1]=4 605 B8R1.5 NC1CCCCC1O MC20824 [0,1,0,1,0,0|1,0,1]=4 606 B8R1.5 NC1CCCNC1=O MC106744 [0,1,0,1,0,0|1,0,0]=3 607 B8R1.5 O=C1CCCC=C1I MC106097 [0,1,0,1,0,0|1,0,1]=4 608 B8R1.5 O=C1CCCCC1=O CS20486 [0,1,0,1,0,0|0,0,1]=3 609 B8R1.5 O=C1CCNCC1Br MC106749 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.5 O=C1NCCCC1Br CS14644 [0,1,0,1,0,0|1,0,0]=3 611 B8R1.5 O=C1NCCCC1O CS19689 [0,1,0,1,0,0|1,0,0]=3 612 B8R1.5 O=C1OCCCC1O CS16147 [0,1,0,1,0,0|0,0,0]=2 613 B8R1.5 OC1CCCCC1F MC107093 [0,1,0,1,0,0|1,0,1]=4 614 B8R1.5 OC1CCCCC1O CS12029 [0,1,0,1,0,0|0,0,2]=4 615 B8R1.22 O=C1CCCNCC1 CS19096 [0,1,0,1,0,0|1,0,0]=3 616 B8R1.22 O=C1CCNCCN1 CS18857 [0,1,0,1,0,0|1,0,0]=3 617 B8R1.22 O=C1CCSCCN1 MC121122 [0,1,0,1,0,0|1,0,0]=3 618 B8R1.22 O=S1CCCNCC1 MC100495 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.38 COC(=O)C1CNC1 CS13402 [0,1,0,1,0,0|1,0,0]=3 620 B8R1.38 COC(=O)C1COC1 MC100370 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [0,1,0,1,0,0|0,0,1]=3 622 B8R1.50 O=C1CCC(=O)N1O CS19674 [0,1,0,1,0,0|1,0,1]=4 623 B8R1.52 NCC1(O)CCCC1 CS15390 [0,1,0,1,0,0|1,0,1]=4 624 B8R1.52 NCC1(O)CCCC1 MC31148 [0,1,0,1,0,0|1,0,1]=4 625 B8R1.52 OCC1(F)CCCC1 MC443810 [0,1,0,1,0,0|1,0,1]=4 626 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,1,0,1,0,0|1,0,0]=3 627 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,1,0,1,0,0|1,0,0]=3 628 B8R1.7 NC(=O)C1CC=CC1 CS11184 [0,1,0,1,0,0|1,0,1]=4 629 B8R1.7 NC(=O)C1CCCN1 CS22629 [0,1,0,1,0,0|1,0,0]=3 630 B8R1.7 NC(=O)C1CCCN1 MC438122 [0,1,0,1,0,0|1,0,0]=3 631 B8R1.7 NC(=O)C1CCCN1 MC438123 [0,1,0,1,0,0|1,0,0]=3 632 B8R1.7 NC(=O)C1CCCN1 MC438124 [0,1,0,1,0,0|1,0,0]=3 633 B8R1.7 NC(=O)C1CCCN1 MC438125 [0,1,0,1,0,0|1,0,0]=3 634 B8R1.7 O=C(O)C1C=CCN1 MC436934 [0,1,0,1,0,0|0,0,2]=4 635 B8R1.7 O=C(O)C1C=CCN1 MC436935 [0,1,0,1,0,0|0,0,2]=4 636 B8R1.7 O=C(O)C1CCCN1 CS18287 [0,1,0,1,0,0|0,0,0]=2 637 B8R1.7 O=C(O)C1CCCN1 CS18742 [0,1,0,1,0,0|0,0,0]=2 638 B8R1.7 O=C(O)C1CCCN1 CS22249 [0,1,0,1,0,0|0,0,0]=2 639 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,1,0,1,0,0|0,0,0]=2 640 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,1,0,1,0,0|0,0,0]=2 641 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,1,0,1,0,0|0,0,0]=2 642 B8R1.7 O=C(O)C1CCNC1 CS18444 [0,1,0,1,0,0|0,0,0]=2 643 B8R1.7 O=C(O)C1CCNC1 CS19637 [0,1,0,1,0,0|0,0,0]=2 644 B8R1.7 O=C(O)C1CCOC1 CS19475 [0,1,0,1,0,0|0,0,0]=2 645 B8R1.7 O=C(O)C1CCOC1 MC444586 [0,1,0,1,0,0|0,0,0]=2 646 B8R1.7 O=C(O)C1CSCN1 CS15627 [0,1,0,1,0,0|1,0,0]=3 647 B8R1.7 O=C(O)C1CSCN1 MC20446 [0,1,0,1,0,0|1,0,0]=3 648 B8R1.7 O=C(O)C1NCCS1 CS16514 [0,1,0,1,0,0|1,0,0]=3 649 B8R1.7 O=C([O-])C1CSCN1 MC436714 [0,1,0,1,0,0|1,0,1]=4 650 B8R1.7 OB(O)C1CCOC1 MC114068 [0,1,0,1,0,0|1,0,1]=4 651 B8R1.35 O=C(O)CCC1CC1 CS19562 [0,1,0,1,0,0|0,0,0]=2 652 B8R1.72 CC1(O)CCCNC1 MC444294 [0,1,0,1,0,0|1,0,1]=4 653 B8R1.72 CC1(O)CCNCC1 MC443374 [0,1,0,1,0,0|1,0,1]=4 654 B8R1.72 CC1(O)CCOCC1 CS12641 [0,1,0,1,0,0|1,0,1]=4 655 B8R1.72 O=S1(=O)CCCCN1 MC428209 [0,1,0,1,0,0|1,0,1]=4 656 B8R1.72 O=S1(=O)CCNCC1 CS16686 [0,1,0,1,0,0|1,0,1]=4 657 B8R1.72 OC1(O)CCNCC1 CS10106 [0,1,0,1,0,0|0,0,2]=4 658 B8R1.23 C=C1CC(C(=O)O)C1 MC444295 [0,1,0,1,0,0|0,0,1]=3 659 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,1,0,1,0,0|0,0,0]=2 660 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,1,0,1,0,0|0,0,0]=2 661 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,1,0,1,0,0|0,0,0]=2 662 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [0,1,0,1,0,0|1,0,0]=3 663 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [0,1,0,1,0,0|0,0,0]=2 664 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [0,1,0,1,0,0|0,0,0]=2 665 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [0,1,0,1,0,0|0,0,0]=2 666 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [0,1,0,1,0,0|0,0,0]=2 667 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [0,1,0,1,0,0|0,0,0]=2 668 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [0,1,0,1,0,0|0,0,0]=2 669 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [0,1,0,1,0,0|0,0,0]=2 670 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [0,1,0,1,0,0|0,0,0]=2 671 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [0,1,0,1,0,0|0,0,0]=2 672 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [0,1,0,1,0,0|0,0,0]=2 673 B8R1.23 O=C1CC(C(=O)O)C1 CS18894 [0,1,0,1,0,0|0,0,1]=3 674 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [0,1,0,1,0,0|1,0,1]=4 675 B8R1.30 CC1(C(=O)O)CC1F MC102835 [0,1,0,1,0,0|1,0,0]=3 676 B8R1.30 CC1(C(=O)O)CC1F MC102836 [0,1,0,1,0,0|1,0,0]=3 677 B8R1.54 CC(B(O)O)C1CC1 MC429830 [0,1,0,1,0,0|1,0,1]=4 678 B8R1.54 O=C(O)C(=O)C1CC1 CS15905 [0,1,0,1,0,0|0,0,1]=3 679 B8R1.54 O=C([O-])C(=O)C1CC1 MC121058 [0,1,0,1,0,0|0,0,2]=4 680 B8R1.78 CC(=O)C1(C)COC1 MC444075 [0,1,0,1,0,0|2,0,0]=4 681 B8R1.78 CC1(C(=O)O)CCC1 MC21173 [0,1,0,1,0,0|0,0,0]=2 682 B8R1.78 CC1(C(=O)O)COC1 MC444297 [0,1,0,1,0,0|1,0,0]=3 683 B8R1.78 NC(=O)C1(N)CCC1 MC106178 [0,1,0,1,0,0|1,0,0]=3 684 B8R1.78 NC1(C(=O)O)CCC1 CS20591 [0,1,0,1,0,0|0,0,0]=2 685 B8R1.78 NC1(C(=O)O)CNC1 MC113165 [0,1,0,1,0,0|1,0,0]=3 686 B8R1.78 NC1(C(=O)O)COC1 MC444235 [0,1,0,1,0,0|1,0,0]=3 687 B8R1.78 NC1(C(=O)O)CSC1 MC100257 [0,1,0,1,0,0|1,0,0]=3 688 B8R1.78 O=C(O)C1(F)CNC1 MC103706 [0,1,0,1,0,0|1,0,0]=3 689 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,1,0,1,0,0|0,0,0]=2 690 B8R1.77 CC1(C)CC1C(N)=O MC427500 [0,1,0,1,0,0|1,0,0]=3 691 B8R1.77 O=C(O)C1CC1(F)Cl MC425307 [0,1,0,1,0,0|1,0,0]=3 692 B8R1.77 O=C(O)C1CC1(F)F MC429774 [0,1,0,1,0,0|1,0,0]=3 693 B8R2.25 C1CCC2OC2C1 MC41785 [0,0,0,2,0,0|1,0,1]=4 694 B8R2.66 O=C(O)C12CC1C2 MC104145 [0,0,0,2,0,0|0,0,0]=2