0 B5R0.5 CC(=O)C(=O)O MC41939 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.5 CC(Br)C(=O)O MC20444 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.5 CC(C)C(=O)Cl MC40490 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.5 CC(C)C(N)=O CS21696 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.5 CC(Cl)C(=O)O MC20315 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.5 CC(Cl)C(=O)O MC436860 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.5 CC(F)C(=O)O MC429445 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.5 CC(N)B(O)O MC442650 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.5 CC(N)B(O)O MC442679 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.5 CC(N)B(O)O MC442687 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.5 CC(N)C(=O)O CS18992 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.5 CC(N)C(=O)O CS19143 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.5 CC(N)C(=O)O MC428047 [0,0,0,0,0,0|1,0,0]=1 13 B5R0.5 CC(N)C(N)=O CS15732 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.5 CC(N)C(N)=O CS22529 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.5 CC(N)C(N)=O MC436152 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.5 CC(N)C(N)=O MC436153 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.5 CC(O)C(=O)O MC437817 [0,0,0,0,0,0|0,0,0]=0 18 B5R0.5 CN(C)C(=O)Cl MC428263 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.5 CN(C)C(N)=S MC427479 [0,0,0,0,0,0|3,1,0]=4 20 B5R0.5 NC(=O)C(N)=O MC20822 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.5 O=C(O)C(=O)O CS11387 [0,0,0,0,0,0|1,0,1]=2 22 B5R0.5 O=C(O)C(=O)O MC425345 [0,0,0,0,0,0|1,0,1]=2 23 B5R0.5 O=C(O)C(F)F MC20641 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.5 O=C([O-])C(=O)[O-] MC114602 [0,0,0,0,0,0|1,0,3]=4 25 B5R0.5 O=C([O-])C(Cl)Cl MC21032 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.5 OB(O)B(O)O MC20916 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.1 C#CC(=O)O MC428031 [1,0,0,0,0,0|0,0,2]=3 28 B4R0.1 C#CC(C)O MC427719 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 C=CC(N)=O MC41857 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 CC(=O)CBr MC20986 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 CC(=O)CN CS10921 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 CC(=O)CO CS11467 [1,0,0,0,0,0|1,0,0]=2 33 B4R0.1 CC(=O)NN CS10881 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 CC(=O)NO CS14961 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CC(C)=NO CS10884 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 CC(C)C#N MC41920 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 CC(C)NN CS11525 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 CC(C)ON CS13668 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 CC(C)[Zn]Br MC121350 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 CC(Cl)CO CS20251 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 CC(Cl)CO MC428270 [1,0,0,0,0,0|1,0,1]=3 42 B4R0.1 CC(N)CN CS20323 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 CC(N)CN MC10147 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 CC(N)CO CS14182 [1,0,0,0,0,0|1,0,1]=3 45 B4R0.1 CC(N)CO CS19476 [1,0,0,0,0,0|1,0,1]=3 46 B4R0.1 CC(N)CO CS21310 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.1 CC(O)CCl MC20696 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.1 CC(O)CCl MC20697 [1,0,0,0,0,0|1,0,1]=3 49 B4R0.1 CC(O)CN CS14075 [1,0,0,0,0,0|1,0,1]=3 50 B4R0.1 CC(O)CO MC20330 [1,0,0,0,0,0|0,0,1]=2 51 B4R0.1 CCB(O)O CS13979 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.1 CCC(C)O MC10786 [1,0,0,0,0,0|1,0,1]=3 53 B4R0.1 CCC(N)=O CS11886 [1,0,0,0,0,0|1,0,0]=2 54 B4R0.1 CNC(N)=O MC10792 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.1 CNC(N)=S CS11797 [1,0,0,0,0,0|2,1,0]=4 56 B4R0.1 COC(N)=O CS11667 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.1 COC(N)=[NH2+] CS11820 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 CSC(=N)N MC41956 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.1 C\C(N)=N\O CS10879 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 C\C=C(/C)Br MC10255 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 NC(=O)CBr CS21389 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.1 NCC(=O)O CS19951 [1,0,0,0,0,0|1,0,0]=2 63 B4R0.1 NCC(=O)[O-] CS10910 [1,0,0,0,0,0|1,0,1]=3 64 B4R0.1 NCC(=O)[O-] MC20522 [1,0,0,0,0,0|1,0,1]=3 65 B4R0.1 NCC(N)=O CS13806 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.1 NCC(N)=O MC437712 [1,0,0,0,0,0|2,0,0]=3 67 B4R0.1 NCS(=O)[O-] MC105927 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 NNC(N)=O CS11949 [1,0,0,0,0,0|3,0,0]=4 69 B4R0.1 O=C(Cl)CBr MC21000 [1,0,0,0,0,0|2,0,0]=3 70 B4R0.1 O=C(O)CCl MC41871 [1,0,0,0,0,0|1,0,0]=2 71 B4R0.1 O=C(O)CO CS19334 [1,0,0,0,0,0|0,0,0]=1 72 B4R0.1 O=C([O-])CCl MC41872 [1,0,0,0,0,0|1,0,1]=3 73 B4R0.1 O=S([O-])CO CS11936 [1,0,0,0,0,0|1,0,1]=3 74 B4R0.1 OCC(F)F CS20974 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.1 ON=C(Br)Br CS18455 [1,0,0,0,0,0|3,0,0]=4 76 B6R0.3 C=CC(N)C(=O)O MC21080 [0,1,0,0,0,0|1,0,1]=3 77 B6R0.3 CC(C)C(C)CO MC113312 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.3 CC(C)C(N)CO CS17224 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.3 CC(C)C(N)CO CS22659 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.3 CC(CN)C(=O)O MC105846 [0,1,0,0,0,0|1,0,0]=2 81 B6R0.3 CC(CN)C(=O)O MC105847 [0,1,0,0,0,0|1,0,0]=2 82 B6R0.3 CC(O)C(N)CO MC438221 [0,1,0,0,0,0|1,0,1]=3 83 B6R0.3 CCC(=O)C(=O)O CS21626 [0,1,0,0,0,0|0,0,2]=3 84 B6R0.3 CCC(Br)C(=O)O MC426015 [0,1,0,0,0,0|1,0,0]=2 85 B6R0.3 CCC(Cl)C(=O)O MC426016 [0,1,0,0,0,0|1,0,0]=2 86 B6R0.3 CCC(N)B(O)O MC442680 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.3 CCC(N)B(O)O MC442681 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 CCC(N)C(=O)O CS13661 [0,1,0,0,0,0|1,0,0]=2 89 B6R0.3 CCC(N)C(=O)O CS14054 [0,1,0,0,0,0|1,0,0]=2 90 B6R0.3 CCC(N)C(=O)O CS14084 [0,1,0,0,0,0|1,0,0]=2 91 B6R0.3 CCC(N)C(N)=O CS15891 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.3 CCC(N)C(N)=O MC436006 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.3 CN(C)C(=O)CBr CS14025 [0,1,0,0,0,0|3,0,0]=4 94 B6R0.3 CN(C)C(=O)CN CS21306 [0,1,0,0,0,0|3,0,0]=4 95 B6R0.3 CN(C)C(=O)CN MC116188 [0,1,0,0,0,0|3,0,0]=4 96 B6R0.3 CN(C)C(=O)CN MC437713 [0,1,0,0,0,0|3,0,0]=4 97 B6R0.3 CNC(=O)C(C)N MC436151 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.3 CNC(C)C(=O)O MC428068 [0,1,0,0,0,0|1,0,0]=2 99 B6R0.3 CNC(C)C(=O)O MC428076 [0,1,0,0,0,0|1,0,0]=2 100 B6R0.3 CNC(C)C(=O)O MC428084 [0,1,0,0,0,0|1,0,0]=2 101 B6R0.3 COC(=O)C(C)Br CS14958 [0,1,0,0,0,0|1,0,0]=2 102 B6R0.3 COC(=O)C(C)C MC41931 [0,1,0,0,0,0|1,0,0]=2 103 B6R0.3 COC(=O)C(C)Cl CS15798 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.3 COC(=O)C(C)N CS14901 [0,1,0,0,0,0|1,0,0]=2 105 B6R0.3 COC(=O)C(C)N CS16663 [0,1,0,0,0,0|1,0,0]=2 106 B6R0.3 COC(=O)C(C)N CS22242 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.3 COC(=O)C(C)O MC20343 [0,1,0,0,0,0|0,0,0]=1 108 B6R0.3 COC(=O)C(F)F MC32025 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.3 COC(=O)C(N)=S MC430693 [0,1,0,0,0,0|1,1,1]=4 110 B6R0.3 COC(C)C(=O)O CS14024 [0,1,0,0,0,0|0,0,0]=1 111 B6R0.3 COC(C)C(=O)O MC425243 [0,1,0,0,0,0|0,0,0]=1 112 B6R0.3 CON(C)C(C)=O CS11789 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.3 N#CC(N)C(N)=O MC111521 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.3 NC(=O)C(N)CO MC438160 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.3 NC(CCl)C(=O)O MC436849 [0,1,0,0,0,0|1,0,0]=2 116 B6R0.3 NC(CCl)C(=O)O MC436850 [0,1,0,0,0,0|1,0,0]=2 117 B6R0.3 NC(CCl)C(=O)O MC436851 [0,1,0,0,0,0|1,0,0]=2 118 B6R0.3 NC(CCl)C(=O)O MC436852 [0,1,0,0,0,0|1,0,0]=2 119 B6R0.3 NC(CF)C(=O)O MC437009 [0,1,0,0,0,0|1,0,0]=2 120 B6R0.3 NC(CO)C(=O)O CS14731 [0,1,0,0,0,0|1,0,0]=2 121 B6R0.3 NC(CO)C(=O)O CS18949 [0,1,0,0,0,0|1,0,0]=2 122 B6R0.3 NC(CO)C(=O)O CS19144 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.3 NC(CS)C(=O)O CS19113 [0,1,0,0,0,0|1,0,0]=2 124 B6R0.3 NC(CS)C(=O)O CS19417 [0,1,0,0,0,0|1,0,0]=2 125 B6R0.3 NC(CS)C(=O)O CS19655 [0,1,0,0,0,0|1,0,0]=2 126 B6R0.3 NC(CS)C(=O)O MC428046 [0,1,0,0,0,0|1,0,0]=2 127 B6R0.3 NC(CS)C(=O)O MC436887 [0,1,0,0,0,0|1,0,0]=2 128 B6R0.3 NC(CS)C(=O)O MC436888 [0,1,0,0,0,0|1,0,0]=2 129 B6R0.3 NC(CS)C(=O)O MC439001 [0,1,0,0,0,0|1,0,0]=2 130 B6R0.3 NC(C[SeH])C(=O)O MC435423 [0,1,0,0,0,0|1,0,0]=2 131 B6R0.3 NCC(N)C(=O)O CS14756 [0,1,0,0,0,0|1,0,0]=2 132 B6R0.3 NCC(N)C(=O)O CS19624 [0,1,0,0,0,0|1,0,0]=2 133 B6R0.3 NCC(N)C(=O)O CS19672 [0,1,0,0,0,0|1,0,0]=2 134 B6R0.3 NCC(O)C(=O)O CS20294 [0,1,0,0,0,0|0,0,0]=1 135 B6R0.3 NCC(O)C(=O)O MC437816 [0,1,0,0,0,0|0,0,0]=1 136 B6R0.3 O=C(O)C(Br)CBr CS15215 [0,1,0,0,0,0|1,0,0]=2 137 B6R0.3 O=C(O)C(O)CCl MC10790 [0,1,0,0,0,0|0,0,0]=1 138 B6R0.3 O=C([O-])C(=O)CBr MC34359 [0,1,0,0,0,0|0,0,3]=4 139 B6R0.7 CC(=O)C(C)(C)C MC41940 [0,1,0,0,0,0|2,0,0]=3 140 B6R0.7 CC(C)(Br)C(=O)Br MC20867 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.7 CC(C)(Br)C(=O)O CS21332 [0,1,0,0,0,0|1,0,0]=2 142 B6R0.7 CC(C)(C)C(=O)O CS11866 [0,1,0,0,0,0|1,0,0]=2 143 B6R0.7 CC(C)(C)S(N)=O CS13893 [0,1,0,0,0,0|3,0,0]=4 144 B6R0.7 CC(C)(C)S(N)=O CS18738 [0,1,0,0,0,0|3,0,0]=4 145 B6R0.7 CC(C)(C)S(N)=O CS22549 [0,1,0,0,0,0|3,0,0]=4 146 B6R0.7 CC(C)(N)C(=O)O CS15358 [0,1,0,0,0,0|1,0,0]=2 147 B6R0.7 CC(C)S(=O)(=O)Cl MC33026 [0,1,0,0,0,0|2,0,1]=4 148 B6R0.7 CC(C)S(N)(=O)=O CS15962 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.7 CC(O)C(F)(F)F MC429474 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.7 NC(=O)C(F)(F)F CS20935 [0,1,0,0,0,0|3,0,0]=4 151 B6R0.7 O=C(Cl)C(Cl)(Cl)Cl MC40501 [0,1,0,0,0,0|3,0,0]=4 152 B6R0.7 O=C(Cl)C(F)(F)F MC32023 [0,1,0,0,0,0|3,0,0]=4 153 B6R0.7 O=C(O)C(F)(F)F MC32019 [0,1,0,0,0,0|2,0,0]=3 154 B6R0.7 O=C([O-])C(F)(F)Cl MC439607 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.7 O=C([O-])C(F)(F)F MC32022 [0,1,0,0,0,0|2,0,1]=4 156 B6R1.4 CC1COC1=O MC121237 [0,0,0,1,0,0|1,0,0]=2 157 B6R1.4 NC1CCC1O MC111877 [0,0,0,1,0,0|2,0,1]=4 158 B6R1.11 N=C(N)C1CC1 CS16535 [0,0,0,1,0,0|3,0,0]=4 159 B6R1.11 NC(=O)C1CC1 CS16456 [0,0,0,1,0,0|2,0,0]=3 160 B6R1.11 NC(=S)C1CC1 MC21067 [0,0,0,1,0,0|2,1,0]=4 161 B6R1.11 O=C(Cl)C1CC1 MC434039 [0,0,0,1,0,0|2,0,0]=3 162 B6R1.11 O=C(O)C1CC1 CS13839 [0,0,0,1,0,0|1,0,0]=2 163 B6R1.11 O=C([O-])C1CO1 CS17514 [0,0,0,1,0,0|0,0,1]=2 164 B6R1.11 OB(O)C1CC1 MC20194 [0,0,0,1,0,0|2,0,1]=4 165 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,0,0,0,0,1|2,0,1]=4 166 B6R0.2 CC(Br)CC(=O)O MC106689 [0,0,0,0,0,1|1,0,0]=2 167 B6R0.2 CC(Br)CC(N)=S MC106193 [0,0,0,0,0,1|2,1,0]=4 168 B6R0.2 CC(C)=CC(=O)O CS14947 [0,0,0,0,0,1|1,0,1]=3 169 B6R0.2 CC(C)CB(O)O CS22276 [0,0,0,0,0,1|2,0,1]=4 170 B6R0.2 CC(N)CC(=O)O CS19028 [0,0,0,0,0,1|1,0,0]=2 171 B6R0.2 CC(N)CC(=O)O CS20346 [0,0,0,0,0,1|1,0,0]=2 172 B6R0.2 CC(N)CC(=O)O MC439098 [0,0,0,0,0,1|1,0,0]=2 173 B6R0.2 CC(O)CC(=O)O MC426020 [0,0,0,0,0,1|0,0,0]=1 174 B6R0.2 CC(O)CC(=O)O MC426021 [0,0,0,0,0,1|0,0,0]=1 175 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,0,0,0,0,1|0,0,1]=2 176 B6R0.2 CN(C)CC(=O)O CS13413 [0,0,0,0,0,1|2,0,0]=3 177 B6R0.2 NC([SeH])CC(=O)O MC435590 [0,0,0,0,0,1|1,1,0]=3 178 B6R0.2 NC([SeH])CC(=O)O MC435591 [0,0,0,0,0,1|1,1,0]=3 179 B6R0.2 O=C(O)CC(=O)O MC41922 [0,0,0,0,0,1|1,0,1]=3 180 B6R0.2 O=C(O)CC(=O)O MC41938 [0,0,0,0,0,1|1,0,1]=3 181 B3R0.1 C=CCBr MC41858 [2,0,0,0,0,0|2,0,0]=4 182 B3R0.1 CCC#N MC41959 [2,0,0,0,0,0|1,0,1]=4 183 B3R0.1 CCON CS11314 [2,0,0,0,0,0|2,0,0]=4 184 B3R0.1 CC[Zn]Br MC116063 [2,0,0,0,0,0|2,0,0]=4 185 B3R0.1 C\C=C\C MC428373 [2,0,0,0,0,0|1,0,1]=4 186 B3R0.2 C=C(C)Br MC440274 [2,0,0,0,0,0|1,0,1]=4 187 B3R0.2 CC(=O)Cl MC40433 [2,0,0,0,0,0|1,0,0]=3 188 B3R0.2 CC(=O)O CS19761 [2,0,0,0,0,0|0,0,0]=2 189 B3R0.2 CC(=O)[O-] CS11168 [2,0,0,0,0,0|0,0,1]=3 190 B3R0.2 CC(=O)[O-] CS11832 [2,0,0,0,0,0|0,0,1]=3 191 B3R0.2 CC(=O)[O-] MC41921 [2,0,0,0,0,0|0,0,1]=3 192 B3R0.2 CC(C)Br MC41864 [2,0,0,0,0,0|1,0,1]=4 193 B3R0.2 CC(N)=O MC40849 [2,0,0,0,0,0|1,0,0]=3 194 B3R0.2 CC(O)=S MC434055 [2,0,0,0,0,0|0,1,0]=3 195 B3R0.2 CS(=O)[O-] MC434050 [2,0,0,0,0,0|1,0,1]=4 196 B3R0.2 C[N+](=O)[O-] MC41935 [2,0,0,0,0,0|1,0,1]=4 197 B3R0.2 C[PH](C)=O MC21075 [2,0,0,0,0,0|2,0,0]=4 198 B3R0.2 O=C([O-])[O-] CS11119 [2,0,0,0,0,0|0,0,2]=4 199 B3R0.2 O=S([O-])O MC445110 [2,0,0,0,0,0|1,0,1]=4 200 B3R0.2 O=S([O-])O MC445111 [2,0,0,0,0,0|1,0,1]=4 201 B3R0.2 O=[PH](O)O MC34534 [2,0,0,0,0,0|1,0,0]=3 202 B5R0.1 C=C(C)CCBr CS14513 [1,1,0,0,0,0|2,0,0]=4 203 B5R0.1 CC#CC(=O)O MC20776 [1,1,0,0,0,0|0,0,1]=3 204 B5R0.1 CC(=O)\C=N\O CS11520 [1,1,0,0,0,0|0,0,2]=4 205 B5R0.1 CC(=O)\C=N\O CS18968 [1,1,0,0,0,0|0,0,2]=4 206 B5R0.1 CC(C)CC=O CS11530 [1,1,0,0,0,0|1,0,0]=3 207 B5R0.1 CC(N)CCO CS14355 [1,1,0,0,0,0|1,0,1]=4 208 B5R0.1 CC(N)CCO CS14356 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.1 CC(N)CCO CS22096 [1,1,0,0,0,0|1,0,1]=4 210 B5R0.1 CC(O)CON CS17735 [1,1,0,0,0,0|0,0,1]=3 211 B5R0.1 CCCB(O)O CS14802 [1,1,0,0,0,0|1,0,1]=4 212 B5R0.1 CCCC(C)=O CS21731 [1,1,0,0,0,0|1,0,0]=3 213 B5R0.1 CCC[N+](=O)[O-] MC428297 [1,1,0,0,0,0|1,0,1]=4 214 B5R0.1 CCOC(=N)N CS11818 [1,1,0,0,0,0|2,0,0]=4 215 B5R0.1 CN(C)CC=O CS17734 [1,1,0,0,0,0|2,0,0]=4 216 B5R0.1 CNCC(=O)O CS18595 [1,1,0,0,0,0|0,0,0]=2 217 B5R0.1 CNCC(N)=O MC438151 [1,1,0,0,0,0|1,0,0]=3 218 B5R0.1 COCC(=O)Cl MC40491 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.1 COCC(=O)O CS11579 [1,1,0,0,0,0|0,0,0]=2 220 B5R0.1 COCC(C)N CS15401 [1,1,0,0,0,0|1,0,1]=4 221 B5R0.1 COCC(C)O CS20249 [1,1,0,0,0,0|0,0,1]=3 222 B5R0.1 COCC(C)O CS20309 [1,1,0,0,0,0|0,0,1]=3 223 B5R0.1 COCC(C)O CS20741 [1,1,0,0,0,0|0,0,1]=3 224 B5R0.1 COCC(N)=O MC41924 [1,1,0,0,0,0|1,0,0]=3 225 B5R0.1 COCC(N)=S MC102255 [1,1,0,0,0,0|1,1,0]=4 226 B5R0.1 CSCC(=O)Cl MC106201 [1,1,0,0,0,0|1,0,0]=3 227 B5R0.1 CSCC(N)=O CS12608 [1,1,0,0,0,0|1,0,0]=3 228 B5R0.1 C\C=C\C(=O)O MC41882 [1,1,0,0,0,0|0,0,1]=3 229 B5R0.1 N#CCC(=O)O MC41881 [1,1,0,0,0,0|0,0,1]=3 230 B5R0.1 N#CCC(N)=O CS18594 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.1 NCCC(=O)O CS13499 [1,1,0,0,0,0|0,0,0]=2 232 B5R0.1 NCCC(N)=O MC436150 [1,1,0,0,0,0|1,0,0]=3 233 B5R0.1 O=C(O)CCO MC20638 [1,1,0,0,0,0|0,0,0]=2 234 B5R0.3 C=C(CO)CO CS21689 [1,1,0,0,0,0|1,0,0]=3 235 B5R0.3 CCC(N)CO CS15119 [1,1,0,0,0,0|1,0,1]=4 236 B5R0.3 CCC(N)CO MC10528 [1,1,0,0,0,0|1,0,1]=4 237 B5R0.3 CCC(N)CO MC20718 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.3 CCC(N)CO MC436159 [1,1,0,0,0,0|1,0,1]=4 239 B5R0.3 CCC(O)CO CS15622 [1,1,0,0,0,0|0,0,1]=3 240 B5R0.3 CNC(=O)CCl MC21094 [1,1,0,0,0,0|2,0,0]=4 241 B5R0.3 CNC(=O)CN MC437710 [1,1,0,0,0,0|2,0,0]=4 242 B5R0.3 COC(=O)CN CS15045 [1,1,0,0,0,0|1,0,0]=3 243 B5R0.3 COC(=O)CO CS19433 [1,1,0,0,0,0|0,0,0]=2 244 B5R0.3 COC(=O)CS MC20578 [1,1,0,0,0,0|0,1,0]=3 245 B5R0.3 COC(=O)NN MC20825 [1,1,0,0,0,0|2,0,0]=4 246 B5R0.3 COC(C)CN CS17733 [1,1,0,0,0,0|1,0,1]=4 247 B5R0.3 COC(C)CO CS12306 [1,1,0,0,0,0|0,0,1]=3 248 B5R0.3 NC(CO)CO CS18352 [1,1,0,0,0,0|1,0,1]=4 249 B5R0.3 NCC(O)CCl MC427329 [1,1,0,0,0,0|1,0,1]=4 250 B5R0.3 NCC(O)CN CS14232 [1,1,0,0,0,0|1,0,1]=4 251 B5R0.3 NCC(O)CO CS14832 [1,1,0,0,0,0|0,0,1]=3 252 B5R0.3 NCC(O)CO CS18397 [1,1,0,0,0,0|0,0,1]=3 253 B5R0.3 NCC(O)CO MC20311 [1,1,0,0,0,0|0,0,1]=3 254 B5R0.3 O=C(CO)CO CS11245 [1,1,0,0,0,0|0,0,0]=2 255 B5R0.3 O=CC(=O)CO MC427604 [1,1,0,0,0,0|0,0,1]=3 256 B5R0.3 O=CC(Br)C=O CS18151 [1,1,0,0,0,0|1,0,1]=4 257 B5R0.3 O=CC(O)CO MC107096 [1,1,0,0,0,0|0,0,0]=2 258 B5R0.3 O=CC(O)CO MC20361 [1,1,0,0,0,0|0,0,0]=2 259 B5R0.3 O=CC(O)CO MC20362 [1,1,0,0,0,0|0,0,0]=2 260 B5R0.3 OC(CCl)CCl MC428012 [1,1,0,0,0,0|1,0,1]=4 261 B5R0.3 OC(CF)CF MC429449 [1,1,0,0,0,0|1,0,1]=4 262 B5R0.3 OCC(O)CCl CS15061 [1,1,0,0,0,0|0,0,1]=3 263 B5R0.3 OCC(O)CCl MC20314 [1,1,0,0,0,0|0,0,1]=3 264 B5R0.4 CC(C)(C)C=O MC20070 [1,1,0,0,0,0|1,0,0]=3 265 B5R0.4 CC(C)(F)CO MC429446 [1,1,0,0,0,0|1,0,1]=4 266 B5R0.4 CC(C)(O)CN CS20593 [1,1,0,0,0,0|1,0,1]=4 267 B5R0.4 CC(F)(F)CO MC429356 [1,1,0,0,0,0|1,0,1]=4 268 B5R0.4 CCS(=O)(=O)Cl MC32069 [1,1,0,0,0,0|1,0,1]=4 269 B5R0.4 CCS(=O)(=O)F MC32070 [1,1,0,0,0,0|1,0,1]=4 270 B5R0.4 CCS(=O)(=O)O MC32071 [1,1,0,0,0,0|1,0,0]=3 271 B5R0.4 CCS(=O)(=O)[O-] MC32072 [1,1,0,0,0,0|1,0,1]=4 272 B5R0.4 CCS(N)(=O)=O CS11311 [1,1,0,0,0,0|1,0,1]=4 273 B5R0.4 O=CC(Cl)(Cl)Cl MC41957 [1,1,0,0,0,0|2,0,0]=4 274 B7R0.2 CC(=O)\C=C(\C)O[Rh] MC445002 [0,1,0,0,0,1|1,0,1]=4 275 B7R0.2 CC(C)OC(=O)CO CS11522 [0,1,0,0,0,1|1,0,0]=3 276 B7R0.2 COC(=O)CC(=O)O CS13436 [0,1,0,0,0,1|0,0,2]=4 277 B7R0.2 COC(=O)CC(C)=O MC41927 [0,1,0,0,0,1|0,0,2]=4 278 B7R0.2 COC(=O)CC(C)O CS11584 [0,1,0,0,0,1|0,0,0]=2 279 B7R0.2 COC(=O)\C=C(/C)N CS13690 [0,1,0,0,0,1|1,0,1]=4 280 B7R0.2 NCC(O)CC(=O)O CS16710 [0,1,0,0,0,1|0,0,0]=2 281 B7R0.9 CC(C)(C)CC(=O)O CS22814 [0,1,0,0,0,1|1,0,0]=3 282 B7R0.9 CC(C)(C)OC(N)=O CS11993 [0,1,0,0,0,1|2,0,0]=4 283 B7R0.9 CC(C)(N)CC(=O)O CS14805 [0,1,0,0,0,1|1,0,0]=3 284 B7R0.9 CC(C)(N)CC(=O)O CS17039 [0,1,0,0,0,1|1,0,0]=3 285 B7R0.9 CC(O)CC(C)(C)O MC428277 [0,1,0,0,0,1|1,0,1]=4 286 B7R0.9 C[N+](C)(C)CC(=O)O MC34237 [0,1,0,0,0,1|2,0,0]=4 287 B7R0.9 O=C(O)CC(F)(F)F MC429455 [0,1,0,0,0,1|2,0,0]=4 288 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [0,1,0,0,0,1|1,0,1]=4 289 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [0,1,0,0,0,1|1,0,0]=3 290 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [0,1,0,0,0,1|1,0,0]=3 291 B7R0.16 CC(C)C(F)C(=O)O MC429818 [0,1,0,0,0,1|1,0,0]=3 292 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,1,0,0,0,1|1,0,0]=3 293 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,1,0,0,0,1|1,0,0]=3 294 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,1,0,0,0,1|1,0,0]=3 295 B7R0.16 CC(C)C(N)C(N)=O CS11445 [0,1,0,0,0,1|2,0,0]=4 296 B7R0.16 CC(C)C(N)C(N)=O MC428367 [0,1,0,0,0,1|2,0,0]=4 297 B7R0.16 CC(C)C(N)C(N)=O MC435294 [0,1,0,0,0,1|2,0,0]=4 298 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,1,0,0,0,1|1,0,0]=3 299 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,1,0,0,0,1|1,0,0]=3 300 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,1,0,0,0,1|0,0,0]=2 301 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,1,0,0,0,1|0,0,0]=2 302 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,1,0,0,0,1|0,0,0]=2 303 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,1,0,0,0,1|0,0,0]=2 304 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,1,0,0,0,1|0,0,0]=2 305 B7R0.16 CC(O)C(N)C(N)=O MC438202 [0,1,0,0,0,1|1,0,0]=3 306 B7R0.16 CN(C)C(=O)C(=O)O CS11735 [0,1,0,0,0,1|2,0,0]=4 307 B7R0.16 O=C(O)C(=O)C(Br)Br CS18490 [0,1,0,0,0,1|2,0,0]=4 308 B7R0.5 C#CCC(N)C(=O)O CS13900 [0,2,0,0,0,0|1,0,0]=3 309 B7R0.5 C#CCC(N)C(=O)O MC21037 [0,2,0,0,0,0|1,0,0]=3 310 B7R0.5 C#CCC(N)C(=O)O MC438112 [0,2,0,0,0,0|1,0,0]=3 311 B7R0.5 C=CCC(N)C(=O)O MC439179 [0,2,0,0,0,0|1,0,0]=3 312 B7R0.5 CC(C)C(=O)CC#N MC41933 [0,2,0,0,0,0|2,0,0]=4 313 B7R0.5 CCCC(N)C(=O)O CS10518 [0,2,0,0,0,0|1,0,0]=3 314 B7R0.5 CCCC(N)C(=O)O CS17028 [0,2,0,0,0,0|1,0,0]=3 315 B7R0.5 CCCC(N)C(=O)O MC439125 [0,2,0,0,0,0|1,0,0]=3 316 B7R0.5 CCCC(N)C(N)=O MC438024 [0,2,0,0,0,0|2,0,0]=4 317 B7R0.5 CCOC(=O)C(C)C CS11388 [0,2,0,0,0,0|1,0,0]=3 318 B7R0.5 CCOC(=O)C(C)F MC439605 [0,2,0,0,0,0|1,0,0]=3 319 B7R0.5 CCOC(=O)C(C)N CS15404 [0,2,0,0,0,0|1,0,0]=3 320 B7R0.5 CCOC(=O)C(C)N MC436160 [0,2,0,0,0,0|1,0,0]=3 321 B7R0.5 CCOC(=O)C(C)O CS20075 [0,2,0,0,0,0|0,0,0]=2 322 B7R0.5 CCOC(=O)C(F)Br MC41908 [0,2,0,0,0,0|2,0,0]=4 323 B7R0.5 CCOC(=O)C(F)Cl MC41909 [0,2,0,0,0,0|2,0,0]=4 324 B7R0.5 CCOC(=O)C(F)F CS11385 [0,2,0,0,0,0|2,0,0]=4 325 B7R0.5 COCC(N)C(=O)O CS12183 [0,2,0,0,0,0|1,0,0]=3 326 B7R0.5 COCC(N)C(=O)O CS16755 [0,2,0,0,0,0|1,0,0]=3 327 B7R0.5 COCC(N)C(=O)O CS20335 [0,2,0,0,0,0|1,0,0]=3 328 B7R0.5 CSCC(N)C(=O)O MC439293 [0,2,0,0,0,0|1,0,0]=3 329 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [0,2,0,0,0,0|1,0,0]=3 330 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [0,2,0,0,0,0|1,0,0]=3 331 B7R0.5 N#CCC(N)C(=O)O MC436869 [0,2,0,0,0,0|1,0,0]=3 332 B7R0.5 NC(CCO)C(=O)O CS13886 [0,2,0,0,0,0|1,0,0]=3 333 B7R0.5 NC(CCO)C(=O)O CS16701 [0,2,0,0,0,0|1,0,0]=3 334 B7R0.5 NC(CCO)C(=O)O CS22620 [0,2,0,0,0,0|1,0,0]=3 335 B7R0.5 NCCC(N)C(=O)O CS13874 [0,2,0,0,0,0|1,0,0]=3 336 B7R0.5 NCCC(N)C(=O)O CS15080 [0,2,0,0,0,0|1,0,0]=3 337 B7R0.5 NCCC(N)C(=O)O MC436921 [0,2,0,0,0,0|1,0,0]=3 338 B7R0.5 NCCC(N)C(=O)O MC439091 [0,2,0,0,0,0|1,0,0]=3 339 B7R0.5 NCCC(N)C(=O)O MC439321 [0,2,0,0,0,0|1,0,0]=3 340 B7R0.5 NCCC(O)C(=O)O CS15496 [0,2,0,0,0,0|0,0,0]=2 341 B7R0.5 NCCC(O)C(=O)O CS21759 [0,2,0,0,0,0|0,0,0]=2 342 B7R0.10 C=C(CBr)C(=O)OC CS11592 [0,2,0,0,0,0|1,0,1]=4 343 B7R0.10 C=C(CO)C(=O)OC CS12335 [0,2,0,0,0,0|0,0,2]=4 344 B7R0.10 CCC(Br)C(=O)OC CS14136 [0,2,0,0,0,0|1,0,0]=3 345 B7R0.10 CCC(N)C(=O)OC MC436010 [0,2,0,0,0,0|1,0,0]=3 346 B7R0.10 CNC(C)C(=O)OC MC437898 [0,2,0,0,0,0|1,0,0]=3 347 B7R0.10 COC(=O)C(=O)CBr CS15824 [0,2,0,0,0,0|0,0,2]=4 348 B7R0.10 COC(=O)C(C)CBr MC428281 [0,2,0,0,0,0|1,0,0]=3 349 B7R0.10 COC(=O)C(F)CO CS17081 [0,2,0,0,0,0|1,0,0]=3 350 B7R0.10 COC(=O)C(N)CCl CS22615 [0,2,0,0,0,0|1,0,0]=3 351 B7R0.10 COC(=O)C(N)CCl MC418493 [0,2,0,0,0,0|1,0,0]=3 352 B7R0.10 COC(=O)C(N)CCl MC436854 [0,2,0,0,0,0|1,0,0]=3 353 B7R0.10 COC(=O)C(N)CO CS16778 [0,2,0,0,0,0|1,0,0]=3 354 B7R0.10 COC(=O)C(N)CO CS16785 [0,2,0,0,0,0|1,0,0]=3 355 B7R0.10 COC(=O)C(N)CO CS22621 [0,2,0,0,0,0|1,0,0]=3 356 B7R0.10 COC(=O)C(N)CS CS13863 [0,2,0,0,0,0|1,0,0]=3 357 B7R0.10 COC(=O)C(N)CS MC110561 [0,2,0,0,0,0|1,0,0]=3 358 B7R0.10 COC(=O)C(O)CO MC429048 [0,2,0,0,0,0|0,0,0]=2 359 B7R0.10 CON(C)C(=O)CCl MC33020 [0,2,0,0,0,0|2,0,0]=4 360 B7R0.10 NC(CCl)C(=O)NO MC436853 [0,2,0,0,0,0|1,0,0]=3 361 B7R0.10 OC(CS)C(O)CS MC436992 [0,2,0,0,0,0|0,1,1]=4 362 B7R0.10 OC(CS)C(O)CS MC436993 [0,2,0,0,0,0|0,1,1]=4 363 B7R0.13 CC(C)(CN)C(N)=O CS22038 [0,2,0,0,0,0|2,0,0]=4 364 B7R0.13 CC(C)(CO)C(=O)O CS19743 [0,2,0,0,0,0|0,0,0]=2 365 B7R0.13 CC(N)(CO)C(=O)O MC437944 [0,2,0,0,0,0|0,0,0]=2 366 B7R0.13 CC(N)(CO)C(=O)O MC437946 [0,2,0,0,0,0|0,0,0]=2 367 B7R0.13 CC(N)(CS)C(=O)O MC445186 [0,2,0,0,0,0|0,1,0]=3 368 B7R0.13 CC(O)(CBr)C(=O)O CS14051 [0,2,0,0,0,0|0,0,0]=2 369 B7R0.13 CCC(C)(N)C(=O)O CS16944 [0,2,0,0,0,0|1,0,0]=3 370 B7R0.13 CNC(C)(C)C(=O)O MC437895 [0,2,0,0,0,0|1,0,0]=3 371 B7R0.13 O=C(O)C(F)(F)CBr MC429351 [0,2,0,0,0,0|1,0,0]=3 372 B7R0.14 COC(=O)C(C)(C)F CS11604 [0,2,0,0,0,0|1,0,0]=3 373 B7R0.14 COC(=O)C(C)(C)N CS17071 [0,2,0,0,0,0|1,0,0]=3 374 B7R0.14 COC(=O)C(F)(F)Cl MC439609 [0,2,0,0,0,0|2,0,0]=4 375 B7R0.14 COC(=O)C(F)(F)F MC32021 [0,2,0,0,0,0|2,0,0]=4 376 B7R0.15 CCC(CC)C(=O)[O-] MC21097 [0,2,0,0,0,0|1,0,1]=4 377 B7R0.15 CCC(CC)C(C)=O MC425625 [0,2,0,0,0,0|2,0,0]=4 378 B7R0.15 CCC(CN)C(=O)O MC105840 [0,2,0,0,0,0|1,0,0]=3 379 B7R0.15 CCC(CN)C(=O)O MC105841 [0,2,0,0,0,0|1,0,0]=3 380 B7R0.15 CNC(CO)C(=O)O MC435500 [0,2,0,0,0,0|0,0,0]=2 381 B7R0.15 CNC(CO)C(=O)O MC437945 [0,2,0,0,0,0|0,0,0]=2 382 B7R0.15 COC(OC)C(C)=O MC20526 [0,2,0,0,0,0|1,0,0]=3 383 B7R0.17 CC(C)(O)C(C)(C)O CS21047 [0,2,0,0,0,0|1,0,1]=4 384 B5R1.2 BrC1COC1 MC425330 [1,0,0,1,0,0|1,0,1]=4 385 B5R1.2 FC1COC1 MC113065 [1,0,0,1,0,0|1,0,1]=4 386 B5R1.2 IC1COC1 MC10503 [1,0,0,1,0,0|1,0,1]=4 387 B5R1.2 NC1COC1 CS22388 [1,0,0,1,0,0|1,0,1]=4 388 B5R1.2 NC1COC1 MC425332 [1,0,0,1,0,0|1,0,1]=4 389 B5R1.2 O=C1CCC1 MC10479 [1,0,0,1,0,0|1,0,0]=3 390 B5R1.2 O=C1CCN1 MC31231 [1,0,0,1,0,0|1,0,0]=3 391 B5R1.2 O=C1CNC1 MC444241 [1,0,0,1,0,0|2,0,0]=4 392 B5R1.2 O=C1COC1 CS22391 [1,0,0,1,0,0|1,0,0]=3 393 B5R1.2 O=C1CSC1 CS13345 [1,0,0,1,0,0|1,1,0]=4 394 B5R1.2 OC1CCC1 CS11176 [1,0,0,1,0,0|1,0,1]=4 395 B5R1.2 OC1CNC1 CS14687 [1,0,0,1,0,0|1,0,1]=4 396 B5R1.2 OC1COC1 CS19329 [1,0,0,1,0,0|0,0,1]=3 397 B5R1.2 SC1COC1 MC101966 [1,0,0,1,0,0|0,1,1]=4 398 B5R1.3 C=CC1CO1 MC428261 [1,0,0,1,0,0|1,0,0]=3 399 B5R1.3 CCC1CO1 MC20699 [1,0,0,1,0,0|1,0,1]=4 400 B5R1.3 CCC1CO1 MC428314 [1,0,0,1,0,0|1,0,1]=4 401 B5R1.3 ClCC1CO1 MC20322 [1,0,0,1,0,0|1,0,1]=4 402 B5R1.3 ClCC1CO1 MC41680 [1,0,0,1,0,0|1,0,1]=4 403 B5R1.3 ICC1CO1 MC102795 [1,0,0,1,0,0|1,0,1]=4 404 B5R1.3 O=CC1CC1 MC428327 [1,0,0,1,0,0|1,0,0]=3 405 B5R1.3 OCC1CC1 CS19620 [1,0,0,1,0,0|1,0,1]=4 406 B5R1.5 CC1(C)CO1 MC41673 [1,0,0,1,0,0|1,0,1]=4 407 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,0,0,1,0,1|1,0,1]=4 408 B7R1.2 CC1=NC(C)CO1 MC428186 [0,0,0,1,0,1|2,0,0]=4 409 B7R1.2 CC1COC(=O)N1 CS14300 [0,0,0,1,0,1|1,0,0]=3 410 B7R1.2 CC1COC(=O)O1 MC428298 [0,0,0,1,0,1|1,0,0]=3 411 B7R1.2 NC1CNC(=O)C1 MC103473 [0,0,0,1,0,1|2,0,0]=4 412 B7R1.2 NC1COC(=O)C1 CS14340 [0,0,0,1,0,1|1,0,0]=3 413 B7R1.2 NC1COC(=O)C1 CS14674 [0,0,0,1,0,1|1,0,0]=3 414 B7R1.2 O=C1CC(O)CN1 CS14706 [0,0,0,1,0,1|1,0,0]=3 415 B7R1.2 O=C1CC(O)CN1 CS16472 [0,0,0,1,0,1|1,0,0]=3 416 B7R1.2 O=C1CCC(I)C1 MC115016 [0,0,0,1,0,1|2,0,0]=4 417 B7R1.12 CC1CC1C(=O)O MC100841 [0,0,0,1,0,1|1,0,0]=3 418 B7R1.12 CC1CC1C(=O)O MC103281 [0,0,0,1,0,1|1,0,0]=3 419 B7R1.12 CC1CC1C(N)=O MC425328 [0,0,0,1,0,1|2,0,0]=4 420 B7R1.12 NC(=O)C1CC1F MC102846 [0,0,0,1,0,1|2,0,0]=4 421 B7R1.12 O=C(O)C1CC1Br MC430635 [0,0,0,1,0,1|1,0,0]=3 422 B7R1.12 O=C(O)C1CC1F MC21162 [0,0,0,1,0,1|1,0,0]=3 423 B7R1.12 O=C(O)C1CC1F MC425300 [0,0,0,1,0,1|1,0,0]=3 424 B7R1.12 O=C(O)C1CC1F MC425301 [0,0,0,1,0,1|1,0,0]=3 425 B7R1.12 O=C(O)C1CC1F MC425302 [0,0,0,1,0,1|1,0,0]=3 426 B7R1.12 O=C(O)C1CC1F MC425316 [0,0,0,1,0,1|1,0,0]=3 427 B7R1.12 O=C(O)C1CC1I MC102749 [0,0,0,1,0,1|1,0,0]=3 428 B7R1.12 O=C(O)C1CC1I MC425298 [0,0,0,1,0,1|1,0,0]=3 429 B7R1.16 O=S1(=O)CC(O)C1 CS17454 [0,0,0,1,0,1|1,0,1]=4 430 B7R1.20 O=C(O)CC1CC1 MC433946 [0,0,0,1,0,1|1,0,0]=3 431 B7R1.4 CC1OCCC1=O CS14135 [0,1,0,1,0,0|1,0,0]=3 432 B7R1.4 NC1CCNC1=O MC107169 [0,1,0,1,0,0|2,0,0]=4 433 B7R1.4 NC1CCNC1=O MC115917 [0,1,0,1,0,0|2,0,0]=4 434 B7R1.4 NC1CCOC1=O CS18578 [0,1,0,1,0,0|1,0,0]=3 435 B7R1.4 NC1CCOC1=O MC439296 [0,1,0,1,0,0|1,0,0]=3 436 B7R1.4 NC1CCSC1=O MC428331 [0,1,0,1,0,0|1,1,0]=4 437 B7R1.4 NC1COCC1O MC105386 [0,1,0,1,0,0|1,0,1]=4 438 B7R1.4 NC1COCC1O MC105387 [0,1,0,1,0,0|1,0,1]=4 439 B7R1.4 NC1COCC1O MC431325 [0,1,0,1,0,0|1,0,1]=4 440 B7R1.4 NC1CONC1=O CS19264 [0,1,0,1,0,0|1,0,0]=3 441 B7R1.4 NC1CONC1=O CS22528 [0,1,0,1,0,0|1,0,0]=3 442 B7R1.4 NC1CONC1=O MC436879 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.4 NN1CCOC1=O MC102926 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.4 O=C1CCC=C1O CS14654 [0,1,0,1,0,0|1,0,1]=4 445 B7R1.4 O=C1CCCC1Br MC445112 [0,1,0,1,0,0|2,0,0]=4 446 B7R1.4 O=C1NCCC1O CS19486 [0,1,0,1,0,0|1,0,0]=3 447 B7R1.4 O=C1NCCC1O MC115910 [0,1,0,1,0,0|1,0,0]=3 448 B7R1.4 O=C1NCCC1O MC444274 [0,1,0,1,0,0|1,0,0]=3 449 B7R1.4 OC1CNCC1O CS20186 [0,1,0,1,0,0|1,0,1]=4 450 B7R1.4 OC1CNCC1O MC103857 [0,1,0,1,0,0|1,0,1]=4 451 B7R1.8 O=C1CCC1CO MC104211 [0,1,0,1,0,0|1,0,0]=3 452 B7R1.8 O=C1CCC1CO MC104212 [0,1,0,1,0,0|1,0,0]=3 453 B7R1.8 O=C1CCC1CO MC104213 [0,1,0,1,0,0|1,0,0]=3 454 B7R1.18 NC(=O)C1CNC1 MC10515 [0,1,0,1,0,0|2,0,0]=4 455 B7R1.18 NC(=O)C1CNC1 MC10516 [0,1,0,1,0,0|2,0,0]=4 456 B7R1.18 O=C(O)C1CCC1 CS22786 [0,1,0,1,0,0|1,0,0]=3 457 B7R1.18 O=C(O)C1CCN1 CS16493 [0,1,0,1,0,0|1,0,0]=3 458 B7R1.18 O=C(O)C1CCN1 CS16972 [0,1,0,1,0,0|1,0,0]=3 459 B7R1.18 O=C(O)C1CCN1 CS18844 [0,1,0,1,0,0|1,0,0]=3 460 B7R1.18 O=C(O)C1CCN1 MC436280 [0,1,0,1,0,0|1,0,0]=3 461 B7R1.18 O=C(O)C1CCO1 MC115721 [0,1,0,1,0,0|0,0,0]=2 462 B7R1.18 O=C(O)C1CNC1 CS16485 [0,1,0,1,0,0|1,0,0]=3 463 B7R1.18 O=C(O)C1COC1 CS22389 [0,1,0,1,0,0|0,0,0]=2 464 B7R1.18 O=C(O)C1CSC1 MC100118 [0,1,0,1,0,0|0,1,0]=3 465 B7R1.19 CC1(C(N)=O)CC1 MC106205 [0,1,0,1,0,0|2,0,0]=4 466 B7R1.19 NC1(C(=O)O)CC1 CS16477 [0,1,0,1,0,0|1,0,0]=3 467 B7R1.19 O=C(O)C1(Br)CC1 CS15760 [0,1,0,1,0,0|1,0,0]=3 468 B7R1.19 O=C(O)C1(F)CC1 CS13809 [0,1,0,1,0,0|1,0,0]=3 469 B7R1.22 COC(=O)C1CC1 MC41839 [0,1,0,1,0,0|1,0,0]=3 470 B7R1.22 N=C(NO)C1CC1 CS11781 [0,1,0,1,0,0|2,0,0]=4 471 B7R1.22 O=C(CBr)C1CC1 MC433212 [0,1,0,1,0,0|2,0,0]=4 472 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,0,0,0,0,2|1,0,1]=4 473 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,0,0,0,0,2|0,0,2]=4 474 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,0,0,0,0,2|0,0,2]=4 475 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,0,0,0,0,2|2,0,0]=4 476 B7R0.6 CC(N)CCC(=O)O MC435302 [0,0,0,0,0,2|1,0,0]=3 477 B7R0.6 CN(C)CCC(=O)O CS12169 [0,0,0,0,0,2|2,0,0]=4 478 B7R0.6 O=C(O)C#CC(=O)O MC20681 [0,0,0,0,0,2|1,0,1]=4