0 B4R0.1 C#CC(=O)O MC428031 [0,0,0,0,0,0|1,0,1]=2 1 B4R0.1 C#CC(C)O MC427719 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 C=CC(N)=O MC41857 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 CC(=O)CBr MC20986 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 CC(=O)CN CS10921 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.1 CC(=O)CO CS11467 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 CC(=O)NN CS10881 [0,0,0,0,0,0|2,0,0]=2 7 B4R0.1 CC(=O)NO CS14961 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 CC(C)=NO CS10884 [0,0,0,0,0,0|4,0,0]=4 9 B4R0.1 CC(C)NN CS11525 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 CC(C)ON CS13668 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 CC(Cl)CO CS20251 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 CC(Cl)CO MC428270 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 CC(N)CN CS20323 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.1 CC(N)CN MC10147 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.1 CC(N)CO CS14182 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.1 CC(N)CO CS19476 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 CC(N)CO CS21310 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 CC(O)CCl MC20696 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.1 CC(O)CCl MC20697 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.1 CC(O)CN CS14075 [0,0,0,0,0,0|1,0,1]=2 21 B4R0.1 CC(O)CO MC20330 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 CCB(O)O CS13979 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 CCC(C)O MC10786 [0,0,0,0,0,0|2,0,1]=3 24 B4R0.1 CCC(N)=O CS11886 [0,0,0,0,0,0|2,0,0]=2 25 B4R0.1 CNC(N)=O MC10792 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.1 CNC(N)=S CS11797 [0,0,0,0,0,0|3,1,0]=4 27 B4R0.1 COC(N)=O CS11667 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.1 COC(N)=[NH2+] CS11820 [0,0,0,0,0,0|4,0,0]=4 29 B4R0.1 CSC(=N)N MC41956 [0,0,0,0,0,0|4,0,0]=4 30 B4R0.1 C\C(N)=N\O CS10879 [0,0,0,0,0,0|4,0,0]=4 31 B4R0.1 C\C=C(/C)Br MC10255 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.1 FC(F)CBr MC429454 [0,0,0,0,0,0|3,0,1]=4 33 B4R0.1 FC(F)CI MC429447 [0,0,0,0,0,0|3,0,1]=4 34 B4R0.1 NC(=O)CBr CS21389 [0,0,0,0,0,0|2,0,0]=2 35 B4R0.1 NCC(=O)O CS19951 [0,0,0,0,0,0|0,0,0]=0 36 B4R0.1 NCC(=O)[O-] CS10910 [0,0,0,0,0,0|0,0,1]=1 37 B4R0.1 NCC(=O)[O-] MC20522 [0,0,0,0,0,0|0,0,1]=1 38 B4R0.1 NCC(F)F MC429451 [0,0,0,0,0,0|2,0,1]=3 39 B4R0.1 NCC(N)=O CS13806 [0,0,0,0,0,0|1,0,0]=1 40 B4R0.1 NCC(N)=O MC437712 [0,0,0,0,0,0|1,0,0]=1 41 B4R0.1 NCS(=O)[O-] MC105927 [0,0,0,0,0,0|1,0,1]=2 42 B4R0.1 NNC(N)=O CS11949 [0,0,0,0,0,0|2,0,0]=2 43 B4R0.1 O=C(Cl)CBr MC21000 [0,0,0,0,0,0|2,0,0]=2 44 B4R0.1 O=C(O)CCl MC41871 [0,0,0,0,0,0|1,0,0]=1 45 B4R0.1 O=C(O)CO CS19334 [0,0,0,0,0,0|1,0,0]=1 46 B4R0.1 O=C([O-])CCl MC41872 [0,0,0,0,0,0|1,0,1]=2 47 B4R0.1 O=S([O-])CO CS11936 [0,0,0,0,0,0|2,0,1]=3 48 B4R0.1 OCC(F)F CS20974 [0,0,0,0,0,0|3,0,1]=4 49 B4R0.1 ON=C(Br)Br CS18455 [0,0,0,0,0,0|4,0,0]=4 50 B3R0.1 BrCCBr MC41884 [1,0,0,0,0,0|2,0,1]=4 51 B3R0.1 C=CCBr MC41858 [1,0,0,0,0,0|2,0,0]=3 52 B3R0.1 C=C[Mg]Br MC10627 [1,0,0,0,0,0|3,0,0]=4 53 B3R0.1 CCC#N MC41959 [1,0,0,0,0,0|2,0,1]=4 54 B3R0.1 CCON CS11314 [1,0,0,0,0,0|2,0,1]=4 55 B3R0.1 CC[Zn]Br MC116063 [1,0,0,0,0,0|3,0,0]=4 56 B3R0.1 COCCl MC41874 [1,0,0,0,0,0|3,0,0]=4 57 B3R0.1 C\C=C\C MC428373 [1,0,0,0,0,0|2,0,1]=4 58 B3R0.1 Cl\C=C\Cl MC41969 [1,0,0,0,0,0|2,0,1]=4 59 B3R0.1 FCCBr MC429448 [1,0,0,0,0,0|2,0,1]=4 60 B3R0.1 N#CCCl MC41870 [1,0,0,0,0,0|2,0,1]=4 61 B3R0.1 N#CCN CS19759 [1,0,0,0,0,0|1,0,1]=3 62 B3R0.1 NCCBr CS14044 [1,0,0,0,0,0|1,0,1]=3 63 B3R0.1 NCCCl CS16188 [1,0,0,0,0,0|1,0,1]=3 64 B3R0.1 NCCF CS21564 [1,0,0,0,0,0|1,0,1]=3 65 B3R0.1 SCCS MC20652 [1,0,0,0,0,0|1,1,1]=4 66 B3R0.2 C=C(C)Br MC440274 [1,0,0,0,0,0|2,0,0]=3 67 B3R0.2 CC(=O)Cl MC40433 [1,0,0,0,0,0|1,0,0]=2 68 B3R0.2 CC(=O)O CS19761 [1,0,0,0,0,0|0,0,0]=1 69 B3R0.2 CC(=O)[O-] CS11168 [1,0,0,0,0,0|0,0,1]=2 70 B3R0.2 CC(=O)[O-] CS11832 [1,0,0,0,0,0|0,0,1]=2 71 B3R0.2 CC(=O)[O-] MC41921 [1,0,0,0,0,0|0,0,1]=2 72 B3R0.2 CC(C)Br MC41864 [1,0,0,0,0,0|2,0,1]=4 73 B3R0.2 CC(N)=O MC40849 [1,0,0,0,0,0|1,0,0]=2 74 B3R0.2 CC(O)=S MC434055 [1,0,0,0,0,0|0,1,0]=2 75 B3R0.2 CS(=O)[O-] MC434050 [1,0,0,0,0,0|1,0,1]=3 76 B3R0.2 C[N+](=O)[O-] MC41935 [1,0,0,0,0,0|1,0,1]=3 77 B3R0.2 C[PH](C)=O MC21075 [1,0,0,0,0,0|2,0,0]=3 78 B3R0.2 N=C(N)N CS19174 [1,0,0,0,0,0|2,0,0]=3 79 B3R0.2 NC(N)=S CS12023 [1,0,0,0,0,0|1,1,0]=3 80 B3R0.2 O=C([O-])[O-] CS11119 [1,0,0,0,0,0|1,0,1]=3 81 B3R0.2 O=S([O-])O MC445110 [1,0,0,0,0,0|2,0,0]=3 82 B3R0.2 O=S([O-])O MC445111 [1,0,0,0,0,0|2,0,0]=3 83 B3R0.2 O=[N+]([O-])[O-] MC115181 [1,0,0,0,0,0|2,0,1]=4 84 B3R0.2 O=[PH](O)O MC34534 [1,0,0,0,0,0|2,0,0]=3 85 B3R0.2 O=[Sn]([O-])[O-] MC21161 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.1 C=C(C)CCBr CS14513 [0,1,0,0,0,0|3,0,0]=4 87 B5R0.1 C=C(Cl)C[Zn]Cl MC116066 [0,1,0,0,0,0|3,0,0]=4 88 B5R0.1 C=C(Cl)C[Zn]Cl MC116067 [0,1,0,0,0,0|3,0,0]=4 89 B5R0.1 CC#CC(=O)O MC20776 [0,1,0,0,0,0|1,0,1]=3 90 B5R0.1 CC(=O)\C=N\O CS11520 [0,1,0,0,0,0|1,0,2]=4 91 B5R0.1 CC(=O)\C=N\O CS18968 [0,1,0,0,0,0|1,0,2]=4 92 B5R0.1 CC(C)=CCBr MC41900 [0,1,0,0,0,0|3,0,0]=4 93 B5R0.1 CC(O)CON CS17735 [0,1,0,0,0,0|1,0,1]=3 94 B5R0.1 CCCB(O)O CS14802 [0,1,0,0,0,0|2,0,1]=4 95 B5R0.1 CCCC(C)=O CS21731 [0,1,0,0,0,0|2,0,0]=3 96 B5R0.1 CCC[N+](=O)[O-] MC428297 [0,1,0,0,0,0|2,0,1]=4 97 B5R0.1 CCOC(=N)N CS11818 [0,1,0,0,0,0|3,0,0]=4 98 B5R0.1 CN(C)CCN CS18603 [0,1,0,0,0,0|3,0,0]=4 99 B5R0.1 CNCC(=O)O CS18595 [0,1,0,0,0,0|0,0,0]=1 100 B5R0.1 CNCC(N)=O MC438151 [0,1,0,0,0,0|1,0,0]=2 101 B5R0.1 COCC(=O)Cl MC40491 [0,1,0,0,0,0|2,0,0]=3 102 B5R0.1 COCC(=O)O CS11579 [0,1,0,0,0,0|1,0,0]=2 103 B5R0.1 COCC(C)O CS20249 [0,1,0,0,0,0|2,0,1]=4 104 B5R0.1 COCC(C)O CS20309 [0,1,0,0,0,0|2,0,1]=4 105 B5R0.1 COCC(C)O CS20741 [0,1,0,0,0,0|2,0,1]=4 106 B5R0.1 COCC(N)=O MC41924 [0,1,0,0,0,0|2,0,0]=3 107 B5R0.1 COCC(N)=S MC102255 [0,1,0,0,0,0|2,1,0]=4 108 B5R0.1 CSCC(=O)Cl MC106201 [0,1,0,0,0,0|2,0,0]=3 109 B5R0.1 CSCC(N)=O CS12608 [0,1,0,0,0,0|2,0,0]=3 110 B5R0.1 C\C=C\C(=O)O MC41882 [0,1,0,0,0,0|1,0,1]=3 111 B5R0.1 N#CCC(=O)O MC41881 [0,1,0,0,0,0|0,0,1]=2 112 B5R0.1 N#CCC(N)=O CS18594 [0,1,0,0,0,0|1,0,1]=3 113 B5R0.1 N#CCC(N)=S MC428323 [0,1,0,0,0,0|1,1,1]=4 114 B5R0.1 NCCC(=O)O CS13499 [0,1,0,0,0,0|0,0,0]=1 115 B5R0.1 NCCC(N)=O MC436150 [0,1,0,0,0,0|1,0,0]=2 116 B5R0.1 O=C(O)CCO MC20638 [0,1,0,0,0,0|1,0,0]=2 117 B5R0.3 C=C(CO)CO CS21689 [0,1,0,0,0,0|2,0,0]=3 118 B5R0.3 CCC(N)CO CS15119 [0,1,0,0,0,0|2,0,1]=4 119 B5R0.3 CCC(N)CO MC10528 [0,1,0,0,0,0|2,0,1]=4 120 B5R0.3 CCC(N)CO MC20718 [0,1,0,0,0,0|2,0,1]=4 121 B5R0.3 CCC(N)CO MC436159 [0,1,0,0,0,0|2,0,1]=4 122 B5R0.3 CCC(O)CO CS15622 [0,1,0,0,0,0|1,0,2]=4 123 B5R0.3 CNC(=O)CCl MC21094 [0,1,0,0,0,0|2,0,0]=3 124 B5R0.3 CNC(=O)CN MC437710 [0,1,0,0,0,0|1,0,0]=2 125 B5R0.3 COC(=O)CN CS15045 [0,1,0,0,0,0|0,0,0]=1 126 B5R0.3 COC(=O)CO CS19433 [0,1,0,0,0,0|1,0,0]=2 127 B5R0.3 COC(=O)CS MC20578 [0,1,0,0,0,0|1,0,0]=2 128 B5R0.3 COC(=O)NN MC20825 [0,1,0,0,0,0|1,0,0]=2 129 B5R0.3 COC(C)CN CS17733 [0,1,0,0,0,0|1,0,1]=3 130 B5R0.3 COC(C)CO CS12306 [0,1,0,0,0,0|2,0,1]=4 131 B5R0.3 NC(CO)CO CS18352 [0,1,0,0,0,0|2,0,1]=4 132 B5R0.3 NCC(O)CCl MC427329 [0,1,0,0,0,0|1,0,1]=3 133 B5R0.3 NCC(O)CN CS14232 [0,1,0,0,0,0|1,0,1]=3 134 B5R0.3 NCC(O)CO CS14832 [0,1,0,0,0,0|0,0,2]=3 135 B5R0.3 NCC(O)CO CS18397 [0,1,0,0,0,0|0,0,2]=3 136 B5R0.3 NCC(O)CO MC20311 [0,1,0,0,0,0|0,0,2]=3 137 B5R0.3 O=C(CO)CO CS11245 [0,1,0,0,0,0|1,0,0]=2 138 B5R0.3 O=CC(=O)CO MC427604 [0,1,0,0,0,0|1,0,1]=3 139 B5R0.3 O=CC(O)CO MC107096 [0,1,0,0,0,0|1,0,1]=3 140 B5R0.3 O=CC(O)CO MC20361 [0,1,0,0,0,0|1,0,1]=3 141 B5R0.3 O=CC(O)CO MC20362 [0,1,0,0,0,0|1,0,1]=3 142 B5R0.3 OC(CCl)CCl MC428012 [0,1,0,0,0,0|2,0,1]=4 143 B5R0.3 OC(CF)CF MC429449 [0,1,0,0,0,0|2,0,1]=4 144 B5R0.3 OCC(O)CCl CS15061 [0,1,0,0,0,0|1,0,2]=4 145 B5R0.3 OCC(O)CCl MC20314 [0,1,0,0,0,0|1,0,2]=4 146 B5R0.4 CC(C)(C)CN CS11775 [0,1,0,0,0,0|2,0,1]=4 147 B5R0.4 CC(C)(N)CN MC443126 [0,1,0,0,0,0|2,0,1]=4 148 B5R0.4 CC(C)(O)CN CS20593 [0,1,0,0,0,0|1,0,1]=3 149 B5R0.4 CC(C)(S)CN MC434042 [0,1,0,0,0,0|1,1,1]=4 150 B5R0.4 CC(F)(F)CN MC428165 [0,1,0,0,0,0|2,0,1]=4 151 B5R0.4 CC(F)(F)CN MC428166 [0,1,0,0,0,0|2,0,1]=4 152 B5R0.4 CCS(=O)(=O)Cl MC32069 [0,1,0,0,0,0|2,0,1]=4 153 B5R0.4 CCS(=O)(=O)F MC32070 [0,1,0,0,0,0|2,0,1]=4 154 B5R0.4 CCS(=O)(=O)O MC32071 [0,1,0,0,0,0|2,0,0]=3 155 B5R0.4 CCS(=O)(=O)[O-] MC32072 [0,1,0,0,0,0|2,0,1]=4 156 B5R0.4 CCS(N)(=O)=O CS11311 [0,1,0,0,0,0|2,0,1]=4 157 B5R0.4 CS(=O)(=O)NN MC106833 [0,1,0,0,0,0|2,0,1]=4 158 B5R0.4 NCC(F)(F)F MC429466 [0,1,0,0,0,0|2,0,1]=4 159 B5R0.4 NCC(F)(F)F MC439610 [0,1,0,0,0,0|2,0,1]=4 160 B5R0.5 CC(=O)C(=O)O MC41939 [0,1,0,0,0,0|1,0,1]=3 161 B5R0.5 CC(Br)C(=O)O MC20444 [0,1,0,0,0,0|1,0,0]=2 162 B5R0.5 CC(C)C(=O)Cl MC40490 [0,1,0,0,0,0|2,0,0]=3 163 B5R0.5 CC(C)C(N)=O CS21696 [0,1,0,0,0,0|2,0,0]=3 164 B5R0.5 CC(Cl)C(=O)O MC20315 [0,1,0,0,0,0|1,0,0]=2 165 B5R0.5 CC(Cl)C(=O)O MC436860 [0,1,0,0,0,0|1,0,0]=2 166 B5R0.5 CC(F)C(=O)O MC429445 [0,1,0,0,0,0|1,0,0]=2 167 B5R0.5 CC(N)B(O)O MC442650 [0,1,0,0,0,0|1,0,1]=3 168 B5R0.5 CC(N)B(O)O MC442679 [0,1,0,0,0,0|1,0,1]=3 169 B5R0.5 CC(N)B(O)O MC442687 [0,1,0,0,0,0|1,0,1]=3 170 B5R0.5 CC(N)C(=O)O CS18992 [0,1,0,0,0,0|0,0,0]=1 171 B5R0.5 CC(N)C(=O)O CS19143 [0,1,0,0,0,0|0,0,0]=1 172 B5R0.5 CC(N)C(=O)O MC428047 [0,1,0,0,0,0|0,0,0]=1 173 B5R0.5 CC(N)C(N)=O CS15732 [0,1,0,0,0,0|1,0,0]=2 174 B5R0.5 CC(N)C(N)=O CS22529 [0,1,0,0,0,0|1,0,0]=2 175 B5R0.5 CC(N)C(N)=O MC436152 [0,1,0,0,0,0|1,0,0]=2 176 B5R0.5 CC(N)C(N)=O MC436153 [0,1,0,0,0,0|1,0,0]=2 177 B5R0.5 CC(O)C(=O)O MC437817 [0,1,0,0,0,0|1,0,0]=2 178 B5R0.5 CN(C)C(=O)Cl MC428263 [0,1,0,0,0,0|3,0,0]=4 179 B5R0.5 NC(=O)C(N)=O MC20822 [0,1,0,0,0,0|1,0,1]=3 180 B5R0.5 O=C(O)C(=O)O CS11387 [0,1,0,0,0,0|1,0,1]=3 181 B5R0.5 O=C(O)C(=O)O MC425345 [0,1,0,0,0,0|1,0,1]=3 182 B5R0.5 O=C(O)C(F)F MC20641 [0,1,0,0,0,0|1,0,0]=2 183 B5R0.5 O=C([O-])C(=O)[O-] MC114602 [0,1,0,0,0,0|1,0,2]=4 184 B5R0.5 O=C([O-])C(Cl)Cl MC21032 [0,1,0,0,0,0|1,0,1]=3 185 B5R1.2 BrC1CNC1 MC444255 [0,0,0,1,0,0|2,0,1]=4 186 B5R1.2 CC1CNC1 CS13089 [0,0,0,1,0,0|2,0,1]=4 187 B5R1.2 ClC1CNC1 MC444320 [0,0,0,1,0,0|2,0,1]=4 188 B5R1.2 FC1CNC1 CS22297 [0,0,0,1,0,0|2,0,1]=4 189 B5R1.2 IC1CNC1 MC444286 [0,0,0,1,0,0|2,0,1]=4 190 B5R1.2 O=C1CCC1 MC10479 [0,0,0,1,0,0|2,0,0]=3 191 B5R1.2 O=C1CCN1 MC31231 [0,0,0,1,0,0|2,0,0]=3 192 B5R1.2 O=C1CNC1 MC444241 [0,0,0,1,0,0|1,0,0]=2 193 B5R1.2 O=C1COC1 CS22391 [0,0,0,1,0,0|2,0,0]=3 194 B5R1.2 O=C1CSC1 CS13345 [0,0,0,1,0,0|2,0,0]=3 195 B5R1.2 OC1CCC1 CS11176 [0,0,0,1,0,0|2,0,1]=4 196 B5R1.2 OC1CNC1 CS14687 [0,0,0,1,0,0|1,0,1]=3 197 B5R1.2 OC1COC1 CS19329 [0,0,0,1,0,0|2,0,1]=4 198 B5R1.3 CCC1CO1 MC20699 [0,0,0,1,0,0|2,0,1]=4 199 B5R1.3 CCC1CO1 MC428314 [0,0,0,1,0,0|2,0,1]=4 200 B5R1.3 ClCC1CO1 MC20322 [0,0,0,1,0,0|2,0,1]=4 201 B5R1.3 ClCC1CO1 MC41680 [0,0,0,1,0,0|2,0,1]=4 202 B5R1.3 ICC1CO1 MC102795 [0,0,0,1,0,0|2,0,1]=4 203 B5R1.3 NCC1CC1 CS18907 [0,0,0,1,0,0|2,0,1]=4 204 B5R1.4 NC1CC1F MC102833 [0,0,0,1,0,0|2,0,1]=4 205 B5R1.4 NC1CC1F MC425321 [0,0,0,1,0,0|2,0,1]=4 206 B2R0.1 CC#N CS13723 [2,0,0,0,0,0|1,0,1]=4 207 B2R0.1 CC[O-] MC10763 [2,0,0,0,0,0|0,0,2]=4 208 B2R0.1 CNC CS11262 [2,0,0,0,0,0|2,0,0]=4 209 B2R0.1 CNC MC20856 [2,0,0,0,0,0|2,0,0]=4 210 B2R0.1 CNC MC41898 [2,0,0,0,0,0|2,0,0]=4 211 B2R0.1 CNO CS21748 [2,0,0,0,0,0|1,0,0]=3 212 B2R0.1 CON CS19173 [2,0,0,0,0,0|1,0,1]=4 213 B2R0.1 C[Mg]Br MC10193 [2,0,0,0,0,0|2,0,0]=4 214 B2R0.1 C[Zn]Br MC116062 [2,0,0,0,0,0|2,0,0]=4 215 B2R0.1 N#CN MC41880 [2,0,0,0,0,0|1,0,1]=4 216 B2R0.1 O=[PH2][O-] MC20648 [2,0,0,0,0,0|1,0,1]=4 217 B2R0.1 O=[Pt]=O CS10895 [2,0,0,0,0,0|1,0,1]=4 218 B2R0.1 OBO MC440284 [2,0,0,0,0,0|1,0,1]=4 219 B4R0.2 C#CCCN MC424006 [1,1,0,0,0,0|1,0,1]=4 220 B4R0.2 C#CCNC MC41929 [1,1,0,0,0,0|1,0,1]=4 221 B4R0.2 C#CCON MC113172 [1,1,0,0,0,0|1,0,1]=4 222 B4R0.2 C=CCNN MC107856 [1,1,0,0,0,0|1,0,0]=3 223 B4R0.2 C=CC[Pd]Cl MC444917 [1,1,0,0,0,0|2,0,0]=4 224 B4R0.2 C=COCC MC41915 [1,1,0,0,0,0|2,0,0]=4 225 B4R0.2 CCCC=O MC41868 [1,1,0,0,0,0|1,0,0]=3 226 B4R0.2 CCCCO MC41869 [1,1,0,0,0,0|1,0,1]=4 227 B4R0.2 CCOC=N MC33024 [1,1,0,0,0,0|2,0,0]=4 228 B4R0.2 CCOC=O MC41912 [1,1,0,0,0,0|1,0,0]=3 229 B4R0.2 CNCC#N CS19888 [1,1,0,0,0,0|1,0,1]=4 230 B4R0.2 CNCCO CS20910 [1,1,0,0,0,0|0,0,1]=3 231 B4R0.2 COCCCl MC428007 [1,1,0,0,0,0|1,0,1]=4 232 B4R0.2 C\C=C\C=O MC41879 [1,1,0,0,0,0|1,0,1]=4 233 B4R0.2 NCCCBr CS22190 [1,1,0,0,0,0|1,0,1]=4 234 B4R0.2 NCCCS MC428180 [1,1,0,0,0,0|0,1,1]=4 235 B4R0.3 CP(=O)(Cl)Cl MC444881 [1,1,0,0,0,0|2,0,0]=4 236 B4R0.3 CS(=O)(=O)O MC40426 [1,1,0,0,0,0|1,0,0]=3 237 B4R0.3 CS(=O)(=O)O MC40428 [1,1,0,0,0,0|1,0,0]=3 238 B4R0.3 CS(N)(=O)=O CS19901 [1,1,0,0,0,0|1,0,1]=4 239 B4R0.3 C[S+](C)(C)=O CS12054 [1,1,0,0,0,0|2,0,0]=4 240 B4R0.3 NS(N)(=O)=O CS15922 [1,1,0,0,0,0|1,0,1]=4 241 B4R0.3 O=I(=O)(=O)O MC20542 [1,1,0,0,0,0|2,0,0]=4 242 B4R0.3 O=S(=O)(O)O CS11689 [1,1,0,0,0,0|2,0,0]=4 243 B4R0.3 O=S(=O)(O)O MC40998 [1,1,0,0,0,0|2,0,0]=4 244 B6R0.1 C#CC(=O)OCC MC434052 [0,2,0,0,0,0|1,0,1]=4 245 B6R0.1 CCCC(=O)NN CS22544 [0,2,0,0,0,0|2,0,0]=4 246 B6R0.1 CCNC(=O)NC MC428152 [0,2,0,0,0,0|2,0,0]=4 247 B6R0.1 CCOC(=O)CBr MC41907 [0,2,0,0,0,0|1,0,0]=3 248 B6R0.1 CCOC(=O)CCl MC41910 [0,2,0,0,0,0|1,0,0]=3 249 B6R0.1 CCOC(=O)CN CS15347 [0,2,0,0,0,0|0,0,0]=2 250 B6R0.1 CCOC(=O)CO CS11386 [0,2,0,0,0,0|1,0,0]=3 251 B6R0.1 CCOC(=O)NN CS11383 [0,2,0,0,0,0|1,0,0]=3 252 B6R0.1 CNC(=O)CC#N CS18404 [0,2,0,0,0,0|1,0,1]=4 253 B6R0.1 CNC(=O)CCN MC112263 [0,2,0,0,0,0|1,0,0]=3 254 B6R0.1 CNCC(=O)OC MC438154 [0,2,0,0,0,0|0,0,0]=2 255 B6R0.1 COC(=O)C#CBr MC427266 [0,2,0,0,0,0|1,0,1]=4 256 B6R0.1 COC(=O)CC#N MC428339 [0,2,0,0,0,0|0,0,1]=3 257 B6R0.1 COC(=O)CCBr CS18993 [0,2,0,0,0,0|1,0,0]=3 258 B6R0.1 COC(=O)CCN CS22266 [0,2,0,0,0,0|0,0,0]=2 259 B6R0.1 COC(=O)\C=C\I MC20613 [0,2,0,0,0,0|1,0,1]=4 260 B6R0.1 COCC(=O)NN CS11580 [0,2,0,0,0,0|1,0,0]=3 261 B6R0.1 C\C=C\C(=O)OC MC41953 [0,2,0,0,0,0|1,0,1]=4 262 B6R0.1 N#CCC(=O)NN MC425018 [0,2,0,0,0,0|1,0,1]=4 263 B6R0.1 O=C(CCl)NCO CS14580 [0,2,0,0,0,0|1,0,0]=3 264 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,2,0,0,0,0|1,0,1]=4 265 B6R0.2 CC(Br)CC(=O)O MC106689 [0,2,0,0,0,0|1,0,0]=3 266 B6R0.2 CC(C)=CC(=O)O CS14947 [0,2,0,0,0,0|1,0,1]=4 267 B6R0.2 CC(N)CC(=O)O CS19028 [0,2,0,0,0,0|0,0,0]=2 268 B6R0.2 CC(N)CC(=O)O CS20346 [0,2,0,0,0,0|0,0,0]=2 269 B6R0.2 CC(N)CC(=O)O MC439098 [0,2,0,0,0,0|0,0,0]=2 270 B6R0.2 CC(O)CC(=O)O MC426020 [0,2,0,0,0,0|1,0,0]=3 271 B6R0.2 CC(O)CC(=O)O MC426021 [0,2,0,0,0,0|1,0,0]=3 272 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,2,0,0,0,0|1,0,1]=4 273 B6R0.2 CN(C)CC(=O)O CS13413 [0,2,0,0,0,0|0,0,0]=2 274 B6R0.2 CN(C)CC(N)=S CS15155 [0,2,0,0,0,0|1,1,0]=4 275 B6R0.2 NC(=O)CC(N)=O CS11565 [0,2,0,0,0,0|1,0,0]=3 276 B6R0.2 NC(=O)C[N+](=O)[O-] MC442348 [0,2,0,0,0,0|1,0,1]=4 277 B6R0.2 NC(=O)NC(N)=O CS11485 [0,2,0,0,0,0|1,0,1]=4 278 B6R0.2 NC([SeH])CC(=O)O MC435590 [0,2,0,0,0,0|0,0,0]=2 279 B6R0.2 NC([SeH])CC(=O)O MC435591 [0,2,0,0,0,0|0,0,0]=2 280 B6R0.2 O=C(O)CC(=O)O MC41922 [0,2,0,0,0,0|1,0,0]=3 281 B6R0.2 O=C(O)CC(=O)O MC41938 [0,2,0,0,0,0|1,0,0]=3 282 B6R0.3 C=CC(N)C(=O)O MC21080 [0,2,0,0,0,0|0,0,0]=2 283 B6R0.3 CC(CN)C(=O)O MC105846 [0,2,0,0,0,0|0,0,0]=2 284 B6R0.3 CC(CN)C(=O)O MC105847 [0,2,0,0,0,0|0,0,0]=2 285 B6R0.3 CC(O)C(N)CO MC438221 [0,2,0,0,0,0|1,0,1]=4 286 B6R0.3 CCC(=O)C(=O)O CS21626 [0,2,0,0,0,0|1,0,0]=3 287 B6R0.3 CCC(Br)C(=O)O MC426015 [0,2,0,0,0,0|1,0,0]=3 288 B6R0.3 CCC(Cl)C(=O)O MC426016 [0,2,0,0,0,0|1,0,0]=3 289 B6R0.3 CCC(N)B(O)O MC442680 [0,2,0,0,0,0|1,0,1]=4 290 B6R0.3 CCC(N)B(O)O MC442681 [0,2,0,0,0,0|1,0,1]=4 291 B6R0.3 CCC(N)C(=O)O CS13661 [0,2,0,0,0,0|0,0,0]=2 292 B6R0.3 CCC(N)C(=O)O CS14054 [0,2,0,0,0,0|0,0,0]=2 293 B6R0.3 CCC(N)C(=O)O CS14084 [0,2,0,0,0,0|0,0,0]=2 294 B6R0.3 CCC(N)C(N)=O CS15891 [0,2,0,0,0,0|1,0,0]=3 295 B6R0.3 CCC(N)C(N)=O MC436006 [0,2,0,0,0,0|1,0,0]=3 296 B6R0.3 CN(C)C(=O)CBr CS14025 [0,2,0,0,0,0|2,0,0]=4 297 B6R0.3 CN(C)C(=O)CN CS21306 [0,2,0,0,0,0|1,0,0]=3 298 B6R0.3 CN(C)C(=O)CN MC116188 [0,2,0,0,0,0|1,0,0]=3 299 B6R0.3 CN(C)C(=O)CN MC437713 [0,2,0,0,0,0|1,0,0]=3 300 B6R0.3 CNC(=O)C(C)N MC436151 [0,2,0,0,0,0|1,0,0]=3 301 B6R0.3 CNC(C)C(=O)O MC428068 [0,2,0,0,0,0|0,0,0]=2 302 B6R0.3 CNC(C)C(=O)O MC428076 [0,2,0,0,0,0|0,0,0]=2 303 B6R0.3 CNC(C)C(=O)O MC428084 [0,2,0,0,0,0|0,0,0]=2 304 B6R0.3 COC(=O)C(C)Br CS14958 [0,2,0,0,0,0|1,0,0]=3 305 B6R0.3 COC(=O)C(C)C MC41931 [0,2,0,0,0,0|1,0,0]=3 306 B6R0.3 COC(=O)C(C)Cl CS15798 [0,2,0,0,0,0|1,0,0]=3 307 B6R0.3 COC(=O)C(C)N CS14901 [0,2,0,0,0,0|0,0,0]=2 308 B6R0.3 COC(=O)C(C)N CS16663 [0,2,0,0,0,0|0,0,0]=2 309 B6R0.3 COC(=O)C(C)N CS22242 [0,2,0,0,0,0|0,0,0]=2 310 B6R0.3 COC(=O)C(C)O MC20343 [0,2,0,0,0,0|1,0,0]=3 311 B6R0.3 COC(=O)C(F)F MC32025 [0,2,0,0,0,0|1,0,0]=3 312 B6R0.3 COC(=O)C(N)=S MC430693 [0,2,0,0,0,0|0,0,1]=3 313 B6R0.3 COC(C)C(=O)O CS14024 [0,2,0,0,0,0|1,0,0]=3 314 B6R0.3 COC(C)C(=O)O MC425243 [0,2,0,0,0,0|1,0,0]=3 315 B6R0.3 N#CC(N)C(N)=O MC111521 [0,2,0,0,0,0|1,0,0]=3 316 B6R0.3 NC(=O)C(N)CO MC438160 [0,2,0,0,0,0|1,0,0]=3 317 B6R0.3 NC(CCl)C(=O)O MC436849 [0,2,0,0,0,0|0,0,0]=2 318 B6R0.3 NC(CCl)C(=O)O MC436850 [0,2,0,0,0,0|0,0,0]=2 319 B6R0.3 NC(CCl)C(=O)O MC436851 [0,2,0,0,0,0|0,0,0]=2 320 B6R0.3 NC(CCl)C(=O)O MC436852 [0,2,0,0,0,0|0,0,0]=2 321 B6R0.3 NC(CF)C(=O)O MC437009 [0,2,0,0,0,0|0,0,0]=2 322 B6R0.3 NC(CO)C(=O)O CS14731 [0,2,0,0,0,0|0,0,0]=2 323 B6R0.3 NC(CO)C(=O)O CS18949 [0,2,0,0,0,0|0,0,0]=2 324 B6R0.3 NC(CO)C(=O)O CS19144 [0,2,0,0,0,0|0,0,0]=2 325 B6R0.3 NC(CS)C(=O)O CS19113 [0,2,0,0,0,0|0,0,0]=2 326 B6R0.3 NC(CS)C(=O)O CS19417 [0,2,0,0,0,0|0,0,0]=2 327 B6R0.3 NC(CS)C(=O)O CS19655 [0,2,0,0,0,0|0,0,0]=2 328 B6R0.3 NC(CS)C(=O)O MC428046 [0,2,0,0,0,0|0,0,0]=2 329 B6R0.3 NC(CS)C(=O)O MC436887 [0,2,0,0,0,0|0,0,0]=2 330 B6R0.3 NC(CS)C(=O)O MC436888 [0,2,0,0,0,0|0,0,0]=2 331 B6R0.3 NC(CS)C(=O)O MC439001 [0,2,0,0,0,0|0,0,0]=2 332 B6R0.3 NC(C[SeH])C(=O)O MC435423 [0,2,0,0,0,0|0,0,0]=2 333 B6R0.3 NCC(N)C(=O)O CS14756 [0,2,0,0,0,0|0,0,0]=2 334 B6R0.3 NCC(N)C(=O)O CS19624 [0,2,0,0,0,0|0,0,0]=2 335 B6R0.3 NCC(N)C(=O)O CS19672 [0,2,0,0,0,0|0,0,0]=2 336 B6R0.3 NCC(O)C(=O)O CS20294 [0,2,0,0,0,0|0,0,0]=2 337 B6R0.3 NCC(O)C(=O)O MC437816 [0,2,0,0,0,0|0,0,0]=2 338 B6R0.3 O=C(O)C(Br)CBr CS15215 [0,2,0,0,0,0|1,0,0]=3 339 B6R0.3 O=C(O)C(O)CCl MC10790 [0,2,0,0,0,0|1,0,0]=3 340 B6R0.3 O=C([O-])C(=O)CBr MC34359 [0,2,0,0,0,0|1,0,1]=4 341 B6R0.4 C#CCCC(=O)Cl MC106035 [0,2,0,0,0,0|2,0,0]=4 342 B6R0.4 C#CCCC(=O)O MC428029 [0,2,0,0,0,0|1,0,0]=3 343 B6R0.4 C#CCCC(N)=O MC106194 [0,2,0,0,0,0|2,0,0]=4 344 B6R0.4 C=CCCC(=O)O CS15216 [0,2,0,0,0,0|1,0,0]=3 345 B6R0.4 C=C\C=C\C(=O)O CS12033 [0,2,0,0,0,0|1,0,1]=4 346 B6R0.4 CC(=O)CCCBr CS10305 [0,2,0,0,0,0|2,0,0]=4 347 B6R0.4 CC(=O)CCCCl CS10334 [0,2,0,0,0,0|2,0,0]=4 348 B6R0.4 CC(=O)NCCCl MC33011 [0,2,0,0,0,0|2,0,0]=4 349 B6R0.4 CCCCC(=O)Cl MC40508 [0,2,0,0,0,0|2,0,0]=4 350 B6R0.4 N#CCCC(=O)O CS22262 [0,2,0,0,0,0|0,0,1]=3 351 B6R0.4 NCCCC(=O)O CS14998 [0,2,0,0,0,0|0,0,0]=2 352 B6R0.4 NCCCC(N)=O MC112262 [0,2,0,0,0,0|1,0,0]=3 353 B6R0.4 O=C(Cl)CCCCl MC40450 [0,2,0,0,0,0|2,0,0]=4 354 B6R0.4 O=C(O)CCCBr CS14053 [0,2,0,0,0,0|1,0,0]=3 355 B6R0.5 CC(C)(O)CON MC427561 [0,2,0,0,0,0|1,0,1]=4 356 B6R0.5 CCCS(=O)(=O)O MC32073 [0,2,0,0,0,0|2,0,0]=4 357 B6R0.5 CNCP(=O)(O)O MC101885 [0,2,0,0,0,0|1,0,0]=3 358 B6R0.5 CS(=O)(=O)CCN CS21301 [0,2,0,0,0,0|1,0,1]=4 359 B6R0.8 CC(C)(CN)CO CS22037 [0,2,0,0,0,0|1,0,1]=4 360 B6R0.8 NCC(F)(F)CO MC444228 [0,2,0,0,0,0|1,0,1]=4 361 B6R0.9 COC(CN)OC MC428005 [0,2,0,0,0,0|0,0,2]=4 362 B6R0.7 CC(=O)C(C)(C)C MC41940 [0,2,0,0,0,0|2,0,0]=4 363 B6R0.7 CC(C)(Br)C(=O)Br MC20867 [0,2,0,0,0,0|2,0,0]=4 364 B6R0.7 CC(C)(Br)C(=O)O CS21332 [0,2,0,0,0,0|1,0,0]=3 365 B6R0.7 CC(C)(C)C(=O)O CS11866 [0,2,0,0,0,0|1,0,0]=3 366 B6R0.7 CC(C)(N)C(=O)O CS15358 [0,2,0,0,0,0|0,0,0]=2 367 B6R0.7 NC(=O)C(F)(F)F CS20935 [0,2,0,0,0,0|2,0,0]=4 368 B6R0.7 O=C(Cl)C(Cl)(Cl)Cl MC40501 [0,2,0,0,0,0|2,0,0]=4 369 B6R0.7 O=C(Cl)C(F)(F)F MC32023 [0,2,0,0,0,0|2,0,0]=4 370 B6R0.7 O=C(O)C(F)(F)F MC32019 [0,2,0,0,0,0|1,0,0]=3 371 B6R0.7 O=C([O-])C(F)(F)Cl MC439607 [0,2,0,0,0,0|1,0,1]=4 372 B6R0.7 O=C([O-])C(F)(F)F MC32022 [0,2,0,0,0,0|1,0,1]=4 373 B4R1.1 C1CNC1 CS14211 [1,0,0,1,0,0|1,0,1]=4 374 B4R1.1 C1CNC1 MC445038 [1,0,0,1,0,0|1,0,1]=4 375 B4R1.2 CC1=CC1 MC20873 [1,0,0,1,0,0|2,0,0]=4 376 B4R1.2 CC1CO1 MC428272 [1,0,0,1,0,0|1,0,1]=4 377 B4R1.2 OC1CC1 MC443565 [1,0,0,1,0,0|1,0,1]=4 378 B6R1.2 O=C1C=CNN1 MC106502 [0,1,0,1,0,0|1,0,1]=4 379 B6R1.2 O=C1C=CON1 MC442265 [0,1,0,1,0,0|1,0,1]=4 380 B6R1.2 O=C1CC=NN1 CS20496 [0,1,0,1,0,0|1,0,1]=4 381 B6R1.2 O=C1CCCC1 MC21085 [0,1,0,1,0,0|2,0,0]=4 382 B6R1.2 O=C1CCNC1 CS22412 [0,1,0,1,0,0|1,0,0]=3 383 B6R1.2 O=C1CCOC1 CS18178 [0,1,0,1,0,0|1,0,0]=3 384 B6R1.2 O=C1CCSC1 MC20305 [0,1,0,1,0,0|1,1,0]=4 385 B6R1.2 O=C1CNCN1 CS15654 [0,1,0,1,0,0|1,0,0]=3 386 B6R1.2 O=C1NCCN1 CS21607 [0,1,0,1,0,0|2,0,0]=4 387 B6R1.2 O=C1NCCS1 CS20525 [0,1,0,1,0,0|1,1,0]=4 388 B6R1.2 O=C1OCCO1 CS20012 [0,1,0,1,0,0|1,0,0]=3 389 B6R1.2 OC1=CNN=C1 MC41691 [0,1,0,1,0,0|1,0,1]=4 390 B6R1.2 OC1CCNC1 CS16166 [0,1,0,1,0,0|1,0,1]=4 391 B6R1.2 OC1CCNC1 CS16635 [0,1,0,1,0,0|1,0,1]=4 392 B6R1.2 OC1CCNC1 CS16650 [0,1,0,1,0,0|1,0,1]=4 393 B6R1.2 OC1CCNC1 CS17407 [0,1,0,1,0,0|1,0,1]=4 394 B6R1.2 OC1CCNC1 CS21757 [0,1,0,1,0,0|1,0,1]=4 395 B6R1.5 CN1CC(O)C1 MC444271 [0,1,0,1,0,0|1,0,1]=4 396 B6R1.5 CN1CC(O)C1 MC444272 [0,1,0,1,0,0|1,0,1]=4 397 B6R1.5 NC1CC(=O)C1 MC444232 [0,1,0,1,0,0|1,0,0]=3 398 B6R1.5 NC1CC(O)C1 MC105248 [0,1,0,1,0,0|1,0,1]=4 399 B6R1.5 NC1CC(O)C1 MC105286 [0,1,0,1,0,0|1,0,1]=4 400 B6R1.5 NC1CC(O)C1 MC444231 [0,1,0,1,0,0|1,0,1]=4 401 B6R1.5 NC1CC(O)C1 MC444480 [0,1,0,1,0,0|1,0,1]=4 402 B6R1.5 NC1CC(O)C1 MC444598 [0,1,0,1,0,0|1,0,1]=4 403 B6R1.5 O=C1CC(F)C1 MC104154 [0,1,0,1,0,0|2,0,0]=4 404 B6R1.10 CC1(O)CNC1 CS15502 [0,1,0,1,0,0|1,0,1]=4 405 B6R1.11 NC(=O)C1CC1 CS16456 [0,1,0,1,0,0|2,0,0]=4 406 B6R1.11 O=C(Cl)C1CC1 MC434039 [0,1,0,1,0,0|2,0,0]=4 407 B6R1.11 O=C(O)C1CC1 CS13839 [0,1,0,1,0,0|1,0,0]=3 408 B6R1.11 O=C([O-])C1CO1 CS17514 [0,1,0,1,0,0|1,0,1]=4 409 B6R1.4 CC1COC1=O MC121237 [0,1,0,1,0,0|1,0,0]=3 410 B6R1.4 NC1CCC1O MC111877 [0,1,0,1,0,0|1,0,1]=4 411 B6R1.6 COC1CNC1 CS17370 [0,1,0,1,0,0|1,0,1]=4 412 B6R1.6 NCC1CCO1 MC121118 [0,1,0,1,0,0|1,0,1]=4 413 B6R1.6 NCC1COC1 MC10517 [0,1,0,1,0,0|1,0,1]=4 414 B6R1.6 OCC1CNC1 CS12891 [0,1,0,1,0,0|1,0,1]=4 415 B6R1.6 OCC1CNC1 MC444028 [0,1,0,1,0,0|1,0,1]=4 416 B6R1.7 NCC1(O)CC1 CS20441 [0,1,0,1,0,0|1,0,1]=4