0 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.2 CC(Br)CC(=O)O MC106689 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.2 CC(C)=CC(=O)O CS14947 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.2 CC(C)PC(C)C MC444830 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.2 CC(N)CC(=O)O CS19028 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.2 CC(N)CC(=O)O CS20346 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.2 CC(N)CC(=O)O MC439098 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.2 CC(O)CC(=O)O MC426020 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.2 CC(O)CC(=O)O MC426021 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.2 CN(C)CC(=O)O CS13413 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.2 CN(C)CC(N)=S CS15155 [0,0,0,0,0,0|2,1,1]=4 12 B6R0.2 NC(=O)CC(N)=O CS11565 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.2 NC(=O)NC(N)=O CS11485 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.2 O=C(O)CC(=O)O MC41922 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.2 O=C(O)CC(=O)O MC41938 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 CC#CC(=O)O MC20776 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 CC(=O)\C=N\O CS11520 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 CC(=O)\C=N\O CS18968 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 CC(C)=CCBr MC41900 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.1 CC(C)CC=O CS11530 [1,0,0,0,0,0|0,0,2]=3 21 B5R0.1 CCCC(C)=O CS21731 [1,0,0,0,0,0|0,0,2]=3 22 B5R0.1 CN(C)CC=O CS17734 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.1 CNCC(=O)O CS18595 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CNCC(N)=O MC438151 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 COCC(=O)Cl MC40491 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 COCC(=O)O CS11579 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 COCC(N)=O MC41924 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 CSCC(=O)Cl MC106201 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 CSCC(N)=O CS12608 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 C\C=C\B(O)O MC116392 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 C\C=C\C(=O)O MC41882 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.2 CC(=O)\C=C(\C)O[Rh] MC445002 [0,1,0,0,0,0|1,0,0]=2 33 B7R0.2 CC(C)OC(=O)CO CS11522 [0,1,0,0,0,0|1,0,1]=3 34 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,1,0,0,0,0|1,0,1]=3 35 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.2 COC(=O)CC(=O)O CS13436 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.2 COC(=O)CC(C)=O MC41927 [0,1,0,0,0,0|1,0,1]=3 39 B7R0.2 COC(=O)CC(C)O CS11584 [0,1,0,0,0,0|1,0,2]=4 40 B7R0.2 COC(=O)\C=C(/C)N CS13690 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.2 C\C(C=O)=C/N(C)C CS22267 [0,1,0,0,0,0|1,0,0]=2 42 B7R0.9 CC(C)(C)CC(=O)O CS22814 [0,1,0,0,0,0|1,0,2]=4 43 B7R0.9 CC(C)(C)OC(N)=O CS11993 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.9 CC(C)(N)CC(=O)O CS14805 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.9 CC(C)(N)CC(=O)O CS17039 [0,1,0,0,0,0|1,0,2]=4 46 B7R0.9 CC(C)OS(C)(=O)=O MC445527 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.9 C[N+](C)(C)CC(=O)O MC34237 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.9 C[N+](C)(C)CC(=O)[O-] MC34236 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [0,1,0,0,0,0|1,0,1]=3 50 B7R0.16 CC(C)C(=O)N(C)C MC41952 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [0,1,0,0,0,0|1,0,2]=4 52 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [0,1,0,0,0,0|1,0,2]=4 53 B7R0.16 CC(C)C(F)C(=O)O MC429818 [0,1,0,0,0,0|1,0,2]=4 54 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,1,0,0,0,0|1,0,2]=4 55 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,1,0,0,0,0|1,0,2]=4 56 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,1,0,0,0,0|1,0,2]=4 57 B7R0.16 CC(C)C(N)C(N)=O CS11445 [0,1,0,0,0,0|1,0,2]=4 58 B7R0.16 CC(C)C(N)C(N)=O MC428367 [0,1,0,0,0,0|1,0,2]=4 59 B7R0.16 CC(C)C(N)C(N)=O MC435294 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,1,0,0,0,0|1,0,2]=4 62 B7R0.16 CN(C)C(=O)C(=O)O CS11735 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.16 CN(C)C(Cl)=[N+](C)C MC439144 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.16 CN(C)C(F)=[N+](C)C MC438191 [0,1,0,0,0,0|3,0,0]=4 65 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,0,0,1,0,0|0,0,0]=1 66 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,0,0,1,0,0|1,0,0]=2 67 B7R1.2 CC1=CC(=O)NN1 CS22601 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.2 CC1=CC(Br)=CS1 CS22736 [0,0,0,1,0,0|1,1,1]=4 69 B7R1.2 CC1=CC(Br)=NN1 CS12832 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.2 CC1=CC(Br)=NO1 MC113406 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.2 CC1=CC(C)=NN1 CS19982 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.2 CC1=CC(C)=NO1 CS14107 [0,0,0,1,0,0|1,0,1]=3 73 B7R1.2 CC1=CC(I)=NN1 CS16887 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.2 CC1=CC=C(C)N1 CS21153 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.2 CC1=CN(C)C=N1 MC111221 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.2 CC1=CN(C)N=C1 CS20542 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.2 CC1=CN(C)N=N1 MC103246 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.2 CC1=CN=C(C)S1 CS22782 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.2 CC1=CNC(C)=N1 CS21117 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.2 CC1=CSC(C)=N1 CS22781 [0,0,0,1,0,0|1,1,1]=4 81 B7R1.2 CC1=CSC(N)=C1 MC113026 [0,0,0,1,0,0|1,1,1]=4 82 B7R1.2 CC1=CSC(N)=C1 MC121228 [0,0,0,1,0,0|1,1,1]=4 83 B7R1.2 CC1=NC(C)CO1 MC428186 [0,0,0,1,0,0|1,0,2]=4 84 B7R1.2 CC1=NN=C(C)O1 CS15161 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.2 CC1=NNC(=O)C1 CS16242 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.2 CC1=NNC(=O)O1 CS10427 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.2 CC1=NNC(=O)S1 MC107311 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.2 CC1=NNC(C)=N1 MC444208 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.2 CC1=NOC(N)=C1 CS16239 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.2 CC1=NSC(=O)O1 MC42245 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.2 CC1=NSC(Br)=C1 CS10288 [0,0,0,1,0,0|2,1,0]=4 92 B7R1.2 CC1=NSC(I)=C1 MC100265 [0,0,0,1,0,0|2,1,0]=4 93 B7R1.2 CC1=NSC(N)=C1 CS16387 [0,0,0,1,0,0|2,1,0]=4 94 B7R1.2 CC1COC(=O)N1 CS14300 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.2 CC1COC(=O)O1 MC428298 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.2 CN1CCC(=O)C1 CS20760 [0,0,0,1,0,0|1,0,1]=3 97 B7R1.2 NC1=CC(=O)NN1 CS13152 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.2 NC1=NCC(=O)N1 MC102809 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.2 O=C1C=C(Br)CN1 MC431199 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.2 O=C1C=C(Br)CN1 MC431360 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.2 O=C1CCC(I)C1 MC115016 [0,0,0,1,0,0|1,0,2]=4 103 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.2 O=C1CNC(=S)N1 MC427395 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.2 O=C1CSC(=O)N1 CS22526 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.12 CC1CC1C(=O)O MC100841 [0,0,0,1,0,0|1,0,2]=4 107 B7R1.12 CC1CC1C(=O)O MC103281 [0,0,0,1,0,0|1,0,2]=4 108 B7R1.12 CC1CC1C(N)=O MC425328 [0,0,0,1,0,0|1,0,2]=4 109 B7R1.20 O=C(O)CC1CC1 MC433946 [0,0,0,1,0,0|1,0,2]=4 110 B5R0.5 CC(=O)C(=O)O MC41939 [0,0,0,0,1,0|2,0,0]=3 111 B5R0.5 CC(Br)C(=O)O MC20444 [0,0,0,0,1,0|2,0,1]=4 112 B5R0.5 CC(C)C(=O)Cl MC40490 [0,0,0,0,1,0|1,0,1]=3 113 B5R0.5 CC(C)C(N)=O CS21696 [0,0,0,0,1,0|1,0,1]=3 114 B5R0.5 CC(Cl)C(=O)O MC20315 [0,0,0,0,1,0|2,0,1]=4 115 B5R0.5 CC(Cl)C(=O)O MC436860 [0,0,0,0,1,0|2,0,1]=4 116 B5R0.5 CC(F)C(=O)O MC429445 [0,0,0,0,1,0|2,0,1]=4 117 B5R0.5 CC(N)C(=O)O CS18992 [0,0,0,0,1,0|2,0,1]=4 118 B5R0.5 CC(N)C(=O)O CS19143 [0,0,0,0,1,0|2,0,1]=4 119 B5R0.5 CC(N)C(=O)O MC428047 [0,0,0,0,1,0|2,0,1]=4 120 B5R0.5 CC(N)C(N)=O CS15732 [0,0,0,0,1,0|2,0,1]=4 121 B5R0.5 CC(N)C(N)=O CS22529 [0,0,0,0,1,0|2,0,1]=4 122 B5R0.5 CC(N)C(N)=O MC436152 [0,0,0,0,1,0|2,0,1]=4 123 B5R0.5 CC(N)C(N)=O MC436153 [0,0,0,0,1,0|2,0,1]=4 124 B5R0.5 CC(O)C(=O)O MC437817 [0,0,0,0,1,0|2,0,1]=4 125 B5R0.5 CN(C)C(=O)Cl MC428263 [0,0,0,0,1,0|2,0,0]=3 126 B5R0.5 CN(C)C(N)=S MC427479 [0,0,0,0,1,0|2,1,0]=4 127 B5R0.5 NC(=O)C(N)=O MC20822 [0,0,0,0,1,0|3,0,0]=4 128 B5R0.5 O=C(O)C(=O)O CS11387 [0,0,0,0,1,0|3,0,0]=4 129 B5R0.5 O=C(O)C(=O)O MC425345 [0,0,0,0,1,0|3,0,0]=4 130 B5R0.5 O=C([O-])C(=O)[O-] MC114602 [0,0,0,0,1,0|3,0,0]=4 131 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,0,0,0,0,1|1,0,2]=4 132 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,0,0,0,0,1|2,0,1]=4 133 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,0,0,0,0,1|2,0,1]=4 134 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,0,0,0,0,1|1,0,2]=4 135 B7R0.6 CN(C)CCC(=O)O CS12169 [0,0,0,0,0,1|2,0,1]=4 136 B4R0.1 C=CC(N)=O MC41857 [2,0,0,0,0,0|1,0,0]=3 137 B4R0.1 CC(=O)CBr MC20986 [2,0,0,0,0,0|1,0,1]=4 138 B4R0.1 CC(=O)CN CS10921 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.1 CC(=O)CO CS11467 [2,0,0,0,0,0|1,0,1]=4 140 B4R0.1 CC(=O)NN CS10881 [2,0,0,0,0,0|2,0,0]=4 141 B4R0.1 CC(=O)NO CS14961 [2,0,0,0,0,0|2,0,0]=4 142 B4R0.1 CC(C)=NO CS10884 [2,0,0,0,0,0|1,0,1]=4 143 B4R0.1 CCC(N)=O CS11886 [2,0,0,0,0,0|1,0,1]=4 144 B4R0.1 CNC(N)=O MC10792 [2,0,0,0,0,0|2,0,0]=4 145 B4R0.1 COC(N)=O CS11667 [2,0,0,0,0,0|2,0,0]=4 146 B4R0.1 C\C=C(/C)Br MC10255 [2,0,0,0,0,0|1,0,0]=3 147 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|0,0,2]=4 148 B4R0.2 CCOC=O MC41912 [2,0,0,0,0,0|1,0,1]=4 149 B4R0.2 C\C=C\C=O MC41879 [2,0,0,0,0,0|0,0,0]=2 150 B6R0.1 CCNC(=O)NC MC428152 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.1 CCOC(=O)CBr MC41907 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.1 CCOC(=O)CCl MC41910 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.1 CCOC(=O)CN CS15347 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.1 CCOC(=O)CO CS11386 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.1 CNCC(=O)OC MC438154 [1,1,0,0,0,0|1,0,1]=4 156 B6R0.1 COC(=O)\C=C\I MC20613 [1,1,0,0,0,0|1,0,0]=3 157 B6R0.1 C\C=C\C(=O)OC MC41953 [1,1,0,0,0,0|0,0,0]=2 158 B6R0.3 CCC(=O)C(=O)O CS21626 [1,1,0,0,0,0|1,0,1]=4 159 B6R0.3 COC(=O)C(C)C MC41931 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.3 CON(C)C(C)=O CS11789 [1,1,0,0,0,0|2,0,0]=4 161 B6R0.4 C=C\C=C\C(=O)O CS12033 [1,1,0,0,0,0|1,0,1]=4 162 B6R0.4 CC(=O)CCCBr CS10305 [1,1,0,0,0,0|0,0,2]=4 163 B6R0.4 CC(=O)CCCCl CS10334 [1,1,0,0,0,0|0,0,2]=4 164 B6R0.4 CC(=O)NCCCl MC33011 [1,1,0,0,0,0|1,0,1]=4 165 B6R0.4 CC(C)=CC[Mg]Cl MC116049 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.4 CC(C)=CC[Zn]Cl MC116080 [1,1,0,0,0,0|1,0,1]=4 167 B6R0.4 CC(C)CCC=O MC428026 [1,1,0,0,0,0|0,0,2]=4 168 B6R0.4 CN(C)\C=C\C=O MC42238 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.4 CO\C=C\C(C)=O MC33352 [1,1,0,0,0,0|0,0,0]=2 170 B6R0.5 CC(C)(C)CC=O MC20142 [1,1,0,0,0,0|0,0,2]=4 171 B6R0.7 CC(=O)C(C)(C)C MC41940 [0,1,0,0,1,0|0,0,1]=3 172 B6R0.7 CC(C)(Br)C(=O)Br MC20867 [0,1,0,0,1,0|1,0,1]=4 173 B6R0.7 CC(C)(Br)C(=O)O CS21332 [0,1,0,0,1,0|1,0,1]=4 174 B6R0.7 CC(C)(C)C(=O)O CS11866 [0,1,0,0,1,0|1,0,1]=4 175 B6R0.7 CC(C)(N)C(=O)O CS15358 [0,1,0,0,1,0|1,0,1]=4 176 B8R0.9 CNC(=O)CNC(C)=O MC436060 [0,1,0,0,0,1|1,0,1]=4 177 B8R0.9 CNC(=S)\N=C\N(C)C MC119354 [0,1,0,0,0,1|1,1,0]=4 178 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,1,0,0,0,1|0,0,1]=3 179 B8R0.2 CC(C)=C(O)C(O)C=O MC20318 [0,2,0,0,0,0|1,0,1]=4 180 B8R0.2 COC(=O)C(Br)C(C)C CS11601 [0,2,0,0,0,0|0,0,2]=4 181 B8R0.2 COC(=O)C(N)C(C)C CS13949 [0,2,0,0,0,0|0,0,2]=4 182 B8R0.2 COC(=O)C(N)C(C)C CS22265 [0,2,0,0,0,0|0,0,2]=4 183 B8R0.2 COC(=O)C(N)C(C)C MC438304 [0,2,0,0,0,0|0,0,2]=4 184 B8R0.2 COC(=O)C(N)C(C)C MC439083 [0,2,0,0,0,0|0,0,2]=4 185 B8R0.5 CC(C)OC(=O)OCCl CS19003 [0,2,0,0,0,0|1,0,1]=4 186 B8R0.5 CCOC(=O)C=C(C)C CS11345 [0,2,0,0,0,0|0,0,0]=2 187 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,2,0,0,0,0|1,0,1]=4 188 B8R0.5 CCOC(=O)\C=C(/C)N CS15795 [0,2,0,0,0,0|1,0,0]=3 189 B8R0.19 CCC(=O)CC(=O)CC CS22007 [0,2,0,0,0,0|1,0,1]=4 190 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,2,0,0,0,0|1,0,1]=4 191 B8R0.19 COC(=O)CC(=O)CCl MC20592 [0,2,0,0,0,0|1,0,1]=4 192 B8R0.19 O=C(CF)OC(=O)CF MC107082 [0,2,0,0,0,0|2,0,0]=4 193 B8R0.24 CC(C)(C)OC(=O)CN CS15473 [0,2,0,0,0,0|1,0,1]=4 194 B8R0.24 CC(C)(C)OC(=O)CN CS22257 [0,2,0,0,0,0|1,0,1]=4 195 B8R0.24 CC(C)(C)OC(=O)CO CS21767 [0,2,0,0,0,0|1,0,1]=4 196 B8R0.27 CC(C)(C)C(=O)C(=O)O MC418492 [0,2,0,0,0,0|1,0,1]=4 197 B8R0.37 CC(=O)C(C)(C)C(C)=O MC445207 [0,2,0,0,0,0|1,0,1]=4 198 B6R1.2 CC1=CC=CN1 CS21660 [1,0,0,1,0,0|1,0,1]=4 199 B6R1.2 CC1=CC=CO1 MC41695 [1,0,0,1,0,0|0,0,2]=4 200 B6R1.2 CC1=CC=CS1 CS21701 [1,0,0,1,0,0|0,1,1]=4 201 B6R1.2 CC1=CC=NN1 MC21108 [1,0,0,1,0,0|2,0,0]=4 202 B6R1.2 CC1=CNC=C1 MC20689 [1,0,0,1,0,0|1,0,1]=4 203 B6R1.2 CC1=NCCC1 CS21664 [1,0,0,1,0,0|1,0,1]=4 204 B6R1.2 CC1=NNC=C1 CS13720 [1,0,0,1,0,0|2,0,0]=4 205 B6R1.2 CC1=NOC=C1 CS11533 [1,0,0,1,0,0|1,0,1]=4 206 B6R1.2 O=C1C=CNN1 MC106502 [1,0,0,1,0,0|2,0,0]=4 207 B6R1.2 O=C1C=CON1 MC442265 [1,0,0,1,0,0|2,0,0]=4 208 B6R1.2 O=C1C=CSN1 MC427073 [1,0,0,1,0,0|2,0,0]=4 209 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,1,0,0|0,0,2]=4 210 B6R1.2 O=C1CCNC1 CS22412 [1,0,0,1,0,0|1,0,1]=4 211 B6R1.2 O=C1CCOC1 CS18178 [1,0,0,1,0,0|1,0,1]=4 212 B6R1.2 O=C1CCSC1 MC20305 [1,0,0,1,0,0|1,0,1]=4 213 B6R1.4 CC1COC1=O MC121237 [0,0,0,1,1,0|1,0,1]=4 214 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,0,0,1,0,1|0,0,2]=4 215 B8R1.3 CC1=CC=C(C)C=C1 MC41551 [0,0,0,1,0,1|1,0,1]=4 216 B8R1.3 CC1=CN=C(C)C=C1 CS21154 [0,0,0,1,0,1|1,0,1]=4 217 B8R1.3 CC1=CNC(=O)C=C1 CS21591 [0,0,0,1,0,1|0,0,2]=4 218 B8R1.3 CC1=NNC(=O)C=C1 CS19836 [0,0,0,1,0,1|2,0,0]=4 219 B8R1.3 CN1CC=C(Br)CC1 MC425142 [0,0,0,1,0,1|2,0,0]=4 220 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,0,0,1,0,1|1,0,1]=4 221 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,0,0,1,0,1|1,0,1]=4 222 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,0,0,1,0,1|1,0,1]=4 223 B8R1.51 CC1(C)CNC(=O)C1 CS22480 [0,0,0,1,0,1|0,0,2]=4 224 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [0,1,0,1,0,0|1,0,1]=4 225 B8R1.1 CC1=CC(CO)=NN1 CS17779 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.1 CC1=COC(C=O)=C1 MC104341 [0,1,0,1,0,0|1,0,1]=4 227 B8R1.1 CC1=COC(CN)=C1 MC105034 [0,1,0,1,0,0|0,0,2]=4 228 B8R1.1 CC1=NSC(C=O)=C1 MC116147 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.1 NCc1cc(=O)no1 MC437997 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,1,0,1,0,0|1,0,1]=4 231 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,1,0,1,0,0|1,0,1]=4 232 B8R1.4 CC1=CC(=O)NN=C1 CS10446 [0,1,0,1,0,0|1,0,1]=4 233 B8R1.4 CC1=CC(C)=NC=N1 CS19849 [0,1,0,1,0,0|1,0,1]=4 234 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,1,0,1,0,0|0,0,2]=4 235 B8R1.4 CC1=CC=CC(C)=C1 MC41550 [0,1,0,1,0,0|1,0,1]=4 236 B8R1.4 CC1=CN=NC(C)=C1 MC41672 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,1,0,1,0,0|0,0,2]=4 238 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,1,0,1,0,0|0,0,2]=4 239 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,1,0,1,0,0|0,0,2]=4 240 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,1,0,1,0,0|0,0,2]=4 241 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,1,0,1,0,0|0,0,2]=4 242 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,1,0,1,0,0|0,0,2]=4 243 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,1,0,1,0,0|1,0,1]=4 245 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,1,0,1,0,0|1,0,1]=4 249 B8R1.4 O=C1CCCC(=O)O1 CS11243 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,1,0,1,0,0|1,0,1]=4 251 B8R1.4 O=C1CNCC(=O)N1 CS19079 [0,1,0,1,0,0|2,0,0]=4 252 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [0,1,0,1,0,0|2,0,0]=4 253 B8R1.18 CC1=CC(=O)N(C)N1 CS18184 [0,1,0,1,0,0|1,0,0]=3 254 B8R1.18 CC1=CC(=O)OC1O CS22773 [0,1,0,1,0,0|1,0,0]=3 255 B8R1.18 CC1=CC(C)=NN1C CS19810 [0,1,0,1,0,0|1,0,0]=3 256 B8R1.18 CC1=CC(I)=C(C)S1 MC425075 [0,1,0,1,0,0|1,1,0]=4 257 B8R1.18 CC1=CC(N)=NN1C CS13792 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.18 CC1=NN(C)C(=O)C1 CS17716 [0,1,0,1,0,0|1,0,1]=4 259 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.18 O=C1C=C(Cl)C(O)O1 MC103260 [0,1,0,1,0,0|2,0,0]=4 261 B8R1.34 CC(=O)C=C1COC1 MC425334 [0,1,0,1,0,0|0,0,0]=2 262 B8R1.34 CC(=O)SC1CNC1 MC103969 [0,1,0,1,0,0|1,0,1]=4 263 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [0,1,0,1,0,0|0,0,0]=2 264 B8R1.50 CC1=CNC(C)=C1C CS16478 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.50 CC1=CSC(C)=C1Br CS16729 [0,1,0,1,0,0|0,1,1]=4 266 B8R1.50 CC1=NNC(C)=C1Br CS18052 [0,1,0,1,0,0|2,0,0]=4 267 B8R1.50 CC1=NNC(C)=C1I CS18086 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.50 CC1=NOC(C)=C1I CS17867 [0,1,0,1,0,0|1,0,1]=4 269 B8R1.50 CC1=NOC(C)=C1N MC425384 [0,1,0,1,0,0|1,0,1]=4 270 B8R1.50 CC1C(=O)CCC1=O CS21655 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.50 O=C1CCC(=O)N1Br CS19757 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.50 O=C1CCC(=O)N1I CS19758 [0,1,0,1,0,0|2,0,0]=4 273 B8R1.50 O=C1CCC(=O)N1O CS19674 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.54 O=C(O)C(=O)C1CC1 CS15905 [0,1,0,1,0,0|1,0,1]=4 275 B8R1.54 O=C([O-])C(=O)C1CC1 MC121058 [0,1,0,1,0,0|1,0,1]=4 276 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [0,0,0,0,0,2|2,0,0]=4 277 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [0,0,0,0,0,2|2,0,0]=4 278 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [0,0,0,0,0,2|2,0,0]=4