0 B5R0.1 C=C(C)CCBr CS14513 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CC#CC(=O)O MC20776 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 CC(=O)\C=N\O CS11520 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 CC(=O)\C=N\O CS18968 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.1 CC(C)=CCBr MC41900 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC(C)CC=O CS11530 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 CCCC(C)=O CS21731 [0,0,0,0,0,0|0,0,2]=2 7 B5R0.1 CCC[N+](=O)[O-] MC428297 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.1 CCOC(=N)N CS11818 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CN(C)CC=O CS17734 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CNCC(=O)O CS18595 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CNCC(N)=O MC438151 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 COCC(=O)Cl MC40491 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 COCC(=O)O CS11579 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 COCC(C)N CS15401 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.1 COCC(C)O CS20249 [0,0,0,0,0,0|1,0,3]=4 16 B5R0.1 COCC(C)O CS20309 [0,0,0,0,0,0|1,0,3]=4 17 B5R0.1 COCC(C)O CS20741 [0,0,0,0,0,0|1,0,3]=4 18 B5R0.1 COCC(N)=O MC41924 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.1 COCC(N)=S MC102255 [0,0,0,0,0,0|2,1,1]=4 20 B5R0.1 CSCC(=O)Cl MC106201 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.1 CSCC(N)=O CS12608 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.1 C\C=C\B(O)O MC116392 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.1 C\C=C\C(=O)O MC41882 [0,0,0,0,0,0|1,0,0]=1 24 B5R0.1 N#CCC(=O)O MC41881 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.1 N#CCC(N)=O CS18594 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.1 NCCC(=O)O CS13499 [0,0,0,0,0,0|2,0,2]=4 27 B5R0.1 NCCC(N)=O MC436150 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.1 O=C(O)CCO MC20638 [0,0,0,0,0,0|2,0,2]=4 29 B4R0.1 C#CC(=O)O MC428031 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 C=CC(N)=O MC41857 [1,0,0,0,0,0|1,0,0]=2 31 B4R0.1 CC(=O)CBr MC20986 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 CC(=O)CN CS10921 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 CC(=O)CO CS11467 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 CC(=O)NN CS10881 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CC(=O)NO CS14961 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 CC(C)=NO CS10884 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 CCC(C)O MC10786 [1,0,0,0,0,0|0,0,3]=4 38 B4R0.1 CCC(N)=O CS11886 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.1 CNC(N)=O MC10792 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 CNC(N)=S CS11797 [1,0,0,0,0,0|2,1,0]=4 41 B4R0.1 COC(N)=O CS11667 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 COC(N)=[NH2+] CS11820 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 CSC(=N)N MC41956 [1,0,0,0,0,0|3,0,0]=4 44 B4R0.1 C\C(N)=N\O CS10879 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 C\C=C(/C)Br MC10255 [1,0,0,0,0,0|1,0,0]=2 46 B4R0.1 NC(=O)CBr CS21389 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 NCC(=O)O CS19951 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 NCC(=O)[O-] CS10910 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 NCC(=O)[O-] MC20522 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 NCC(N)=O CS13806 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 NCC(N)=O MC437712 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.1 NNC(N)=O CS11949 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.1 O=C(Cl)CBr MC21000 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 O=C(O)CCl MC41871 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 O=C(O)CO CS19334 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 O=C([O-])CCl MC41872 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.2 C=COCC MC41915 [1,0,0,0,0,0|1,0,2]=4 58 B4R0.2 CCCC=O MC41868 [1,0,0,0,0,0|0,0,2]=3 59 B4R0.2 CCNCC CS11240 [1,0,0,0,0,0|1,0,2]=4 60 B4R0.2 CCOC=N MC33024 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.2 CCOC=O MC41912 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.2 CCOCC MC41960 [1,0,0,0,0,0|1,0,2]=4 63 B4R0.2 CC[Zn]CC MC10752 [1,0,0,0,0,0|1,0,2]=4 64 B4R0.2 C\C=C\C=O MC41879 [1,0,0,0,0,0|0,0,0]=1 65 B6R0.1 C#CC(=O)OCC MC434052 [0,1,0,0,0,0|1,0,2]=4 66 B6R0.1 CCCC(=O)NN CS22544 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.1 CCNC(=O)NC MC428152 [0,1,0,0,0,0|1,0,1]=3 68 B6R0.1 CCOC(=O)CBr MC41907 [0,1,0,0,0,0|1,0,1]=3 69 B6R0.1 CCOC(=O)CCl MC41910 [0,1,0,0,0,0|1,0,1]=3 70 B6R0.1 CCOC(=O)CN CS15347 [0,1,0,0,0,0|1,0,1]=3 71 B6R0.1 CCOC(=O)CO CS11386 [0,1,0,0,0,0|1,0,1]=3 72 B6R0.1 CCOC(=O)NN CS11383 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.1 CNC(=O)CC#N CS18404 [0,1,0,0,0,0|1,0,2]=4 74 B6R0.1 CNC(=O)CCN MC112263 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.1 CNCC(=O)OC MC438154 [0,1,0,0,0,0|1,0,1]=3 76 B6R0.1 COC(=O)C#CBr MC427266 [0,1,0,0,0,0|1,0,2]=4 77 B6R0.1 COC(=O)CC#N MC428339 [0,1,0,0,0,0|1,0,2]=4 78 B6R0.1 COC(=O)CCBr CS18993 [0,1,0,0,0,0|1,0,2]=4 79 B6R0.1 COC(=O)CCN CS22266 [0,1,0,0,0,0|1,0,2]=4 80 B6R0.1 COC(=O)\C=C\I MC20613 [0,1,0,0,0,0|1,0,0]=2 81 B6R0.1 COCC(=O)NN CS11580 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.1 C\C=C\C(=O)OC MC41953 [0,1,0,0,0,0|0,0,0]=1 83 B6R0.1 O=C(CCl)NCO CS14580 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,1,0,0,0,0|0,0,0]=1 85 B6R0.2 CC(Br)CC(=O)O MC106689 [0,1,0,0,0,0|1,0,2]=4 86 B6R0.2 CC(C)=CC(=O)O CS14947 [0,1,0,0,0,0|1,0,0]=2 87 B6R0.2 CC(N)CC(=O)O CS19028 [0,1,0,0,0,0|1,0,2]=4 88 B6R0.2 CC(N)CC(=O)O CS20346 [0,1,0,0,0,0|1,0,2]=4 89 B6R0.2 CC(N)CC(=O)O MC439098 [0,1,0,0,0,0|1,0,2]=4 90 B6R0.2 CC(O)CC(=O)O MC426020 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.2 CC(O)CC(=O)O MC426021 [0,1,0,0,0,0|1,0,2]=4 92 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.2 CN(C)CC(=O)O CS13413 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.2 NC(=O)CC(N)=O CS11565 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.2 NC(=O)NC(N)=O CS11485 [0,1,0,0,0,0|3,0,0]=4 96 B6R0.2 O=C(O)CC(=O)O MC41922 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.2 O=C(O)CC(=O)O MC41938 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.3 C=CC(N)C(=O)O MC21080 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.3 CCC(=O)C(=O)O CS21626 [0,1,0,0,0,0|1,0,1]=3 100 B6R0.3 CCC(Br)C(=O)O MC426015 [0,1,0,0,0,0|1,0,2]=4 101 B6R0.3 CCC(Cl)C(=O)O MC426016 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.3 CCC(N)C(=O)O CS13661 [0,1,0,0,0,0|1,0,2]=4 103 B6R0.3 CCC(N)C(=O)O CS14054 [0,1,0,0,0,0|1,0,2]=4 104 B6R0.3 CCC(N)C(=O)O CS14084 [0,1,0,0,0,0|1,0,2]=4 105 B6R0.3 CCC(N)C(N)=O CS15891 [0,1,0,0,0,0|1,0,2]=4 106 B6R0.3 CCC(N)C(N)=O MC436006 [0,1,0,0,0,0|1,0,2]=4 107 B6R0.3 CNC(=O)C(C)N MC436151 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.3 CNC(C)C(=O)O MC428068 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.3 CNC(C)C(=O)O MC428076 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.3 CNC(C)C(=O)O MC428084 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.3 COC(=O)C(C)Br CS14958 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 COC(=O)C(C)C MC41931 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.3 COC(=O)C(C)Cl CS15798 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.3 COC(=O)C(C)N CS14901 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.3 COC(=O)C(C)N CS16663 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.3 COC(=O)C(C)N CS22242 [0,1,0,0,0,0|2,0,1]=4 117 B6R0.3 COC(=O)C(C)O MC20343 [0,1,0,0,0,0|1,0,2]=4 118 B6R0.3 COC(=O)C(N)=S MC430693 [0,1,0,0,0,0|2,1,0]=4 119 B6R0.3 COC(C)C(=O)O CS14024 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.3 COC(C)C(=O)O MC425243 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.3 CON(C)C(C)=O CS11789 [0,1,0,0,0,0|2,0,0]=3 122 B6R0.3 C\C=C(\C)B(O)O MC443605 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.3 O=C([O-])C(=O)CBr MC34359 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.4 C=CCCC(=O)O CS15216 [0,1,0,0,0,0|1,0,2]=4 125 B6R0.4 C=C\C=C\C(=O)O CS12033 [0,1,0,0,0,0|1,0,1]=3 126 B6R0.4 CC(=O)CCCBr CS10305 [0,1,0,0,0,0|0,0,2]=3 127 B6R0.4 CC(=O)CCCCl CS10334 [0,1,0,0,0,0|0,0,2]=3 128 B6R0.4 CC(=O)NCCCl MC33011 [0,1,0,0,0,0|1,0,1]=3 129 B6R0.4 CC(C)=CC[Mg]Cl MC116049 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.4 CC(C)=CC[Zn]Cl MC116080 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.4 CCCCC(=O)Cl MC40508 [0,1,0,0,0,0|1,0,2]=4 132 B6R0.4 CN(C)\C=C\C=O MC42238 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.4 CO\C=C\C(C)=O MC33352 [0,1,0,0,0,0|0,0,0]=1 134 B6R0.4 NCCCC(=O)O CS14998 [0,1,0,0,0,0|1,0,2]=4 135 B6R0.4 NCCCC(N)=O MC112262 [0,1,0,0,0,0|1,0,2]=4 136 B6R0.4 O=C(Cl)CCCCl MC40450 [0,1,0,0,0,0|1,0,2]=4 137 B6R0.4 O=C(O)CCCBr CS14053 [0,1,0,0,0,0|1,0,2]=4 138 B6R0.5 CCOS(C)(=O)=O MC445528 [0,1,0,0,0,0|2,0,1]=4 139 B6R1.2 BrC1=CC=CS1 CS21414 [0,0,0,1,0,0|1,1,1]=4 140 B6R1.2 BrC1=CC=C[Se]1 MC114898 [0,0,0,1,0,0|1,1,1]=4 141 B6R1.2 BrC1=CC=NN1 CS17757 [0,0,0,1,0,0|3,0,0]=4 142 B6R1.2 BrC1=COC=C1 CS19877 [0,0,0,1,0,0|2,0,1]=4 143 B6R1.2 BrC1=CSC=C1 CS21415 [0,0,0,1,0,0|2,0,1]=4 144 B6R1.2 BrC1=NNC=C1 CS19717 [0,0,0,1,0,0|3,0,0]=4 145 B6R1.2 BrC1=NOC=C1 MC113742 [0,0,0,1,0,0|3,0,0]=4 146 B6R1.2 BrC1=NSC=C1 CS11529 [0,0,0,1,0,0|3,0,0]=4 147 B6R1.2 CC1=CC=CN1 CS21660 [0,0,0,1,0,0|1,0,1]=3 148 B6R1.2 CC1=CC=CO1 MC41695 [0,0,0,1,0,0|0,0,2]=3 149 B6R1.2 CC1=CC=CS1 CS21701 [0,0,0,1,0,0|0,1,1]=3 150 B6R1.2 CC1=CC=NN1 MC21108 [0,0,0,1,0,0|2,0,0]=3 151 B6R1.2 CC1=CN=CS1 CS10460 [0,0,0,1,0,0|1,1,1]=4 152 B6R1.2 CC1=CNC=C1 MC20689 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.2 CC1=CNC=N1 MC20397 [0,0,0,1,0,0|2,0,1]=4 154 B6R1.2 CC1=CNN=C1 CS22982 [0,0,0,1,0,0|3,0,0]=4 155 B6R1.2 CC1=CNN=N1 CS12910 [0,0,0,1,0,0|3,0,0]=4 156 B6R1.2 CC1=COC=N1 MC427478 [0,0,0,1,0,0|2,0,1]=4 157 B6R1.2 CC1=CSC=N1 CS15621 [0,0,0,1,0,0|2,0,1]=4 158 B6R1.2 CC1=NC=CO1 CS11827 [0,0,0,1,0,0|1,0,2]=4 159 B6R1.2 CC1=NC=CS1 CS22598 [0,0,0,1,0,0|1,1,1]=4 160 B6R1.2 CC1=NCCC1 CS21664 [0,0,0,1,0,0|1,0,2]=4 161 B6R1.2 CC1=NN=CO1 CS12863 [0,0,0,1,0,0|3,0,0]=4 162 B6R1.2 CC1=NNC=C1 CS13720 [0,0,0,1,0,0|2,0,0]=3 163 B6R1.2 CC1=NNC=N1 CS22353 [0,0,0,1,0,0|3,0,0]=4 164 B6R1.2 CC1=NOC=C1 CS11533 [0,0,0,1,0,0|2,0,0]=3 165 B6R1.2 CN1C=CC=C1 CS20770 [0,0,0,1,0,0|2,0,1]=4 166 B6R1.2 CN1C=CC=N1 CS19419 [0,0,0,1,0,0|2,0,1]=4 167 B6R1.2 CN1C=CN=C1 CS19753 [0,0,0,1,0,0|3,0,0]=4 168 B6R1.2 CN1C=CN=N1 CS20743 [0,0,0,1,0,0|3,0,0]=4 169 B6R1.2 ClC1=CC=NN1 CS16937 [0,0,0,1,0,0|3,0,0]=4 170 B6R1.2 ClC1=NNC=C1 MC103128 [0,0,0,1,0,0|3,0,0]=4 171 B6R1.2 FC1=CC=NN1 MC104307 [0,0,0,1,0,0|3,0,0]=4 172 B6R1.2 IC1=CC=CS1 CS21616 [0,0,0,1,0,0|1,1,1]=4 173 B6R1.2 IC1=CSC=C1 CS22332 [0,0,0,1,0,0|2,0,1]=4 174 B6R1.2 IC1=NNC=C1 CS13669 [0,0,0,1,0,0|3,0,0]=4 175 B6R1.2 NC1=CC=NS1 MC20989 [0,0,0,1,0,0|2,1,0]=4 176 B6R1.2 NC1=CSC=C1 CS12280 [0,0,0,1,0,0|2,0,1]=4 177 B6R1.2 NC1=NCCC1 CS19310 [0,0,0,1,0,0|2,0,1]=4 178 B6R1.2 NC1=NNC=C1 CS22527 [0,0,0,1,0,0|3,0,0]=4 179 B6R1.2 NC1=NOC=C1 CS14368 [0,0,0,1,0,0|3,0,0]=4 180 B6R1.2 O=C1C=CNN1 MC106502 [0,0,0,1,0,0|2,0,0]=3 181 B6R1.2 O=C1C=CON1 MC442265 [0,0,0,1,0,0|2,0,0]=3 182 B6R1.2 O=C1C=CSN1 MC427073 [0,0,0,1,0,0|2,0,0]=3 183 B6R1.2 O=C1CC=NN1 CS20496 [0,0,0,1,0,0|2,0,1]=4 184 B6R1.2 O=C1CCCC1 MC21085 [0,0,0,1,0,0|0,0,2]=3 185 B6R1.2 O=C1CCNC1 CS22412 [0,0,0,1,0,0|1,0,1]=3 186 B6R1.2 O=C1CCOC1 CS18178 [0,0,0,1,0,0|1,0,1]=3 187 B6R1.2 O=C1CCSC1 MC20305 [0,0,0,1,0,0|1,0,1]=3 188 B6R1.2 O=C1CNCN1 CS15654 [0,0,0,1,0,0|2,0,1]=4 189 B6R1.2 O=C1NC=CN1 MC20853 [0,0,0,1,0,0|2,0,1]=4 190 B6R1.2 O=C1NCCN1 CS21607 [0,0,0,1,0,0|2,0,1]=4 191 B6R1.2 O=C1NCCS1 CS20525 [0,0,0,1,0,0|2,0,1]=4 192 B6R1.2 O=C1OCCO1 CS20012 [0,0,0,1,0,0|2,0,1]=4 193 B6R1.5 NC1CC(=O)C1 MC444232 [0,0,0,1,0,0|1,0,2]=4 194 B6R1.5 O=C1CC(F)C1 MC104154 [0,0,0,1,0,0|1,0,2]=4 195 B6R1.11 NC(=O)C1CC1 CS16456 [0,0,0,1,0,0|1,0,2]=4 196 B6R1.11 O=C(Cl)C1CC1 MC434039 [0,0,0,1,0,0|1,0,2]=4 197 B6R1.11 O=C(O)C1CC1 CS13839 [0,0,0,1,0,0|1,0,2]=4 198 B6R1.11 O=C([O-])C1CO1 CS17514 [0,0,0,1,0,0|2,0,1]=4 199 B3R0.1 C=CCBr MC41858 [2,0,0,0,0,0|1,0,1]=4 200 B3R0.1 C=C[Mg]Br MC10627 [2,0,0,0,0,0|2,0,0]=4 201 B3R0.1 CNOC CS13986 [2,0,0,0,0,0|2,0,0]=4 202 B3R0.1 C\C=C\C MC428373 [2,0,0,0,0,0|0,0,0]=2 203 B3R0.1 Cl\C=C\Cl MC41969 [2,0,0,0,0,0|2,0,0]=4 204 B3R0.2 C=C(C)Br MC440274 [2,0,0,0,0,0|1,0,0]=3 205 B3R0.2 CC(=O)Cl MC40433 [2,0,0,0,0,0|1,0,0]=3 206 B3R0.2 CC(=O)O CS19761 [2,0,0,0,0,0|1,0,0]=3 207 B3R0.2 CC(=O)[O-] CS11168 [2,0,0,0,0,0|1,0,0]=3 208 B3R0.2 CC(=O)[O-] CS11832 [2,0,0,0,0,0|1,0,0]=3 209 B3R0.2 CC(=O)[O-] MC41921 [2,0,0,0,0,0|1,0,0]=3 210 B3R0.2 CC(C)Br MC41864 [2,0,0,0,0,0|1,0,1]=4 211 B3R0.2 CC(N)=O MC40849 [2,0,0,0,0,0|1,0,0]=3 212 B3R0.2 CC(O)=S MC434055 [2,0,0,0,0,0|1,0,1]=4 213 B3R0.2 CS(=O)[O-] MC434050 [2,0,0,0,0,0|2,0,0]=4 214 B3R0.2 C[N+](=O)[O-] MC41935 [2,0,0,0,0,0|2,0,0]=4 215 B3R0.2 C[PH](C)=O MC21075 [2,0,0,0,0,0|1,0,0]=3 216 B3R0.2 O=C([O-])[O-] CS11119 [2,0,0,0,0,0|2,0,0]=4 217 B5R0.3 CNC(=O)CCl MC21094 [1,1,0,0,0,0|1,0,0]=3 218 B5R0.3 CNC(=O)CN MC437710 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.3 COC(=O)CN CS15045 [1,1,0,0,0,0|1,0,0]=3 220 B5R0.3 COC(=O)CO CS19433 [1,1,0,0,0,0|1,0,0]=3 221 B5R0.3 COC(=O)CS MC20578 [1,1,0,0,0,0|1,0,0]=3 222 B5R0.3 COC(=O)NN MC20825 [1,1,0,0,0,0|2,0,0]=4 223 B5R0.3 O=C(CO)CO CS11245 [1,1,0,0,0,0|1,0,1]=4 224 B5R0.3 O=CC(=O)CO MC427604 [1,1,0,0,0,0|1,0,0]=3 225 B5R0.4 CNS(C)(=O)=O CS17859 [1,1,0,0,0,0|2,0,0]=4 226 B5R0.4 COS(C)(=O)=O MC445529 [1,1,0,0,0,0|2,0,0]=4 227 B5R0.5 CC(=O)C(=O)O MC41939 [1,1,0,0,0,0|1,0,0]=3 228 B5R0.5 CC(Br)C(=O)O MC20444 [1,1,0,0,0,0|1,0,1]=4 229 B5R0.5 CC(C)C(=O)Cl MC40490 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.5 CC(C)C(N)=O CS21696 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.5 CC(Cl)C(=O)O MC20315 [1,1,0,0,0,0|1,0,1]=4 232 B5R0.5 CC(Cl)C(=O)O MC436860 [1,1,0,0,0,0|1,0,1]=4 233 B5R0.5 CC(F)C(=O)O MC429445 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.5 CC(N)C(=O)O CS18992 [1,1,0,0,0,0|1,0,1]=4 235 B5R0.5 CC(N)C(=O)O CS19143 [1,1,0,0,0,0|1,0,1]=4 236 B5R0.5 CC(N)C(=O)O MC428047 [1,1,0,0,0,0|1,0,1]=4 237 B5R0.5 CC(N)C(N)=O CS15732 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.5 CC(N)C(N)=O CS22529 [1,1,0,0,0,0|1,0,1]=4 239 B5R0.5 CC(N)C(N)=O MC436152 [1,1,0,0,0,0|1,0,1]=4 240 B5R0.5 CC(N)C(N)=O MC436153 [1,1,0,0,0,0|1,0,1]=4 241 B5R0.5 CC(O)C(=O)O MC437817 [1,1,0,0,0,0|1,0,1]=4 242 B5R0.5 CN(C)C(=O)Cl MC428263 [1,1,0,0,0,0|2,0,0]=4 243 B5R0.5 NC(=O)C(N)=O MC20822 [1,1,0,0,0,0|2,0,0]=4 244 B5R0.5 O=C(O)C(=O)O CS11387 [1,1,0,0,0,0|2,0,0]=4 245 B5R0.5 O=C(O)C(=O)O MC425345 [1,1,0,0,0,0|2,0,0]=4 246 B5R0.5 O=C([O-])C(=O)[O-] MC114602 [1,1,0,0,0,0|2,0,0]=4 247 B5R0.2 C#C\C=C\CO MC428290 [1,1,0,0,0,0|0,0,2]=4 248 B5R0.2 C\C=C\C[Pd]Cl MC444919 [1,1,0,0,0,0|1,0,1]=4 249 B5R0.2 ClC\C=C\CCl MC10276 [1,1,0,0,0,0|1,0,1]=4 250 B5R0.2 ClC\C=C\CCl MC10277 [1,1,0,0,0,0|1,0,1]=4 251 B5R0.2 O=CNNC=O CS20491 [1,1,0,0,0,0|2,0,0]=4 252 B5R0.2 OC\C=C\CCl MC10262 [1,1,0,0,0,0|0,0,2]=4 253 B5R0.2 OC\C=C\CO MC41968 [1,1,0,0,0,0|0,0,2]=4 254 B5R0.2 OC\C=C\CO MC424009 [1,1,0,0,0,0|0,0,2]=4 255 B7R0.2 CC(=O)\C=C(\C)O[Rh] MC445002 [0,2,0,0,0,0|0,0,0]=2 256 B7R0.2 CC(C)OC(=O)CO CS11522 [0,2,0,0,0,0|1,0,1]=4 257 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,2,0,0,0,0|0,0,1]=3 258 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,2,0,0,0,0|0,0,1]=3 259 B7R0.2 COC(=O)CC(=O)O CS13436 [0,2,0,0,0,0|1,0,1]=4 260 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [0,2,0,0,0,0|1,0,1]=4 261 B7R0.2 COC(=O)CC(C)=O MC41927 [0,2,0,0,0,0|0,0,1]=3 262 B7R0.2 COC(=O)CC(C)O CS11584 [0,2,0,0,0,0|0,0,2]=4 263 B7R0.2 COC(=O)\C=C(/C)N CS13690 [0,2,0,0,0,0|0,0,0]=2 264 B7R0.2 C\C(C=O)=C/N(C)C CS22267 [0,2,0,0,0,0|1,0,0]=3 265 B7R0.3 C=CCOC(=O)CCl MC428296 [0,2,0,0,0,0|0,0,2]=4 266 B7R0.3 COC(=O)CCC=O MC21172 [0,2,0,0,0,0|1,0,1]=4 267 B7R0.3 COC(=O)CCCBr MC427387 [0,2,0,0,0,0|0,0,2]=4 268 B7R0.3 COC(=O)CCCN MC439309 [0,2,0,0,0,0|0,0,2]=4 269 B7R0.3 COC(=O)\C=C\CBr CS13509 [0,2,0,0,0,0|0,0,0]=2 270 B7R0.3 CO\C=C\C(=O)OC CS11630 [0,2,0,0,0,0|0,0,0]=2 271 B7R0.3 O=C(CCl)\N=C\NO MC107742 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.5 CCOC(=O)C(C)C CS11388 [0,2,0,0,0,0|1,0,1]=4 273 B7R0.5 CCOC(=O)C(C)F MC439605 [0,2,0,0,0,0|1,0,1]=4 274 B7R0.5 CCOC(=O)C(C)N CS15404 [0,2,0,0,0,0|1,0,1]=4 275 B7R0.5 CCOC(=O)C(C)N MC436160 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.5 CCOC(=O)C(C)O CS20075 [0,2,0,0,0,0|1,0,1]=4 277 B7R0.5 CCOC(=O)C(F)Br MC41908 [0,2,0,0,0,0|1,0,1]=4 278 B7R0.5 CCOC(=O)C(F)Cl MC41909 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.5 CCOC(=O)C(F)F CS11385 [0,2,0,0,0,0|1,0,1]=4 280 B7R0.5 CNCC(=O)N(C)C MC438152 [0,2,0,0,0,0|1,0,1]=4 281 B7R0.7 CC#CC(=O)OCC CS10117 [0,2,0,0,0,0|0,0,2]=4 282 B7R0.7 CCOC(=O)CC#N MC41911 [0,2,0,0,0,0|1,0,1]=4 283 B7R0.7 CCOC(=O)CCN CS14330 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.7 CCOC(=O)CNC CS17068 [0,2,0,0,0,0|1,0,1]=4 285 B7R0.7 CCOC(=O)CNN CS19987 [0,2,0,0,0,0|1,0,1]=4 286 B7R0.7 CCOC(=O)COC CS11389 [0,2,0,0,0,0|1,0,1]=4 287 B7R0.10 C=C(CBr)C(=O)OC CS11592 [0,2,0,0,0,0|1,0,1]=4 288 B7R0.10 C=C(CO)C(=O)OC CS12335 [0,2,0,0,0,0|1,0,1]=4 289 B7R0.10 CCC(Br)C(=O)OC CS14136 [0,2,0,0,0,0|0,0,2]=4 290 B7R0.10 CCC(N)C(=O)OC MC436010 [0,2,0,0,0,0|0,0,2]=4 291 B7R0.10 CNC(C)C(=O)OC MC437898 [0,2,0,0,0,0|1,0,1]=4 292 B7R0.10 COC(=O)C(=O)CBr CS15824 [0,2,0,0,0,0|1,0,0]=3 293 B7R0.10 CON(C)C(=O)CCl MC33020 [0,2,0,0,0,0|2,0,0]=4 294 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [0,2,0,0,0,0|1,0,1]=4 295 B7R0.16 CN(C)C(=O)C(=O)O CS11735 [0,2,0,0,0,0|2,0,0]=4 296 B7R0.15 CCC(CC)C(C)=O MC425625 [0,2,0,0,0,0|0,0,2]=4 297 B7R0.15 COC(OC)C(C)=O MC20526 [0,2,0,0,0,0|1,0,1]=4 298 B7R0.4 CC#CCOC(C)=O MC434061 [0,2,0,0,0,0|0,0,2]=4 299 B7R0.4 CC(=O)CCCCBr CS10627 [0,2,0,0,0,0|0,0,2]=4 300 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,2,0,0,0,0|0,0,0]=2 301 B7R0.4 CCO\C=C\C(=O)Cl MC425808 [0,2,0,0,0,0|1,0,0]=3 302 B7R0.4 CCO\C=C\C(=O)Cl MC427603 [0,2,0,0,0,0|1,0,0]=3 303 B7R0.4 CCO\C=C\C(=O)O CS22271 [0,2,0,0,0,0|1,0,0]=3 304 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [0,2,0,0,0,0|1,0,0]=3 305 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,2,0,0,0,0|1,0,1]=4 306 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,2,0,0,0,0|1,0,1]=4 307 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,2,0,0,0,0|1,0,1]=4 308 B5R1.2 O=C1CCC1 MC10479 [1,0,0,1,0,0|0,0,1]=3 309 B5R1.2 O=C1CCN1 MC31231 [1,0,0,1,0,0|1,0,0]=3 310 B5R1.2 O=C1CNC1 MC444241 [1,0,0,1,0,0|1,0,1]=4 311 B5R1.2 O=C1COC1 CS22391 [1,0,0,1,0,0|1,0,1]=4 312 B5R1.2 O=C1CSC1 CS13345 [1,0,0,1,0,0|1,0,1]=4 313 B5R1.3 C=CC1CO1 MC428261 [1,0,0,1,0,0|0,0,2]=4 314 B5R1.1 C1=CCNC1 MC10278 [1,0,0,1,0,0|1,0,1]=4 315 B5R1.1 C1=CNC=C1 MC20798 [1,0,0,1,0,0|1,0,1]=4 316 B5R1.1 C1=CNN=C1 CS18933 [1,0,0,1,0,0|2,0,0]=4 317 B5R1.1 C1=CON=C1 MC20462 [1,0,0,1,0,0|1,0,1]=4 318 B5R1.1 C1=CSC=C1 MC41709 [1,0,0,1,0,0|0,1,1]=4 319 B5R1.1 C1=CSN=C1 MC20995 [1,0,0,1,0,0|1,1,0]=4 320 B5R1.1 C1=C[CH-]C=C1 MC21078 [1,0,0,1,0,0|0,0,2]=4 321 B7R1.1 BrCC1=CC=CS1 MC111260 [0,1,0,1,0,0|0,1,1]=4 322 B7R1.1 BrCC1=CC=NO1 MC114075 [0,1,0,1,0,0|1,0,1]=4 323 B7R1.1 BrCC1=COC=C1 MC111404 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.1 COC1=CSC=C1 CS22351 [0,1,0,1,0,0|2,0,0]=4 325 B7R1.1 ClCC1=CC=CO1 CS13429 [0,1,0,1,0,0|0,0,2]=4 326 B7R1.1 ClCC1=NNC=C1 MC442276 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.1 NCC1=CC=CN1 CS14874 [0,1,0,1,0,0|1,0,1]=4 328 B7R1.1 NCC1=CC=CO1 MC41689 [0,1,0,1,0,0|0,0,2]=4 329 B7R1.1 NCC1=CC=CS1 CS22783 [0,1,0,1,0,0|0,1,1]=4 330 B7R1.1 NCC1=CSC=C1 CS22417 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.1 NCC1=NNC=C1 CS15493 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.1 NCC1=NSC=C1 MC105065 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.1 O=CC1=CC=CN1 CS17764 [0,1,0,1,0,0|1,0,1]=4 334 B7R1.1 O=CC1=CC=CN1 MC434011 [0,1,0,1,0,0|1,0,1]=4 335 B7R1.1 O=CC1=CC=CO1 MC41686 [0,1,0,1,0,0|1,0,1]=4 336 B7R1.1 O=CC1=CC=CS1 CS16400 [0,1,0,1,0,0|1,0,1]=4 337 B7R1.1 O=CC1=CCCC1 CS12865 [0,1,0,1,0,0|0,0,1]=3 338 B7R1.1 O=CC1=CNC=C1 CS20728 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.1 O=CC1=CSC=C1 CS14553 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.1 O=CC1=NNC=C1 CS18284 [0,1,0,1,0,0|2,0,0]=4 341 B7R1.1 OCC1=CC=CO1 MC41687 [0,1,0,1,0,0|0,0,2]=4 342 B7R1.1 OCC1=CC=NO1 CS15343 [0,1,0,1,0,0|1,0,1]=4 343 B7R1.1 OCC1=COC=C1 CS22303 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.1 OCC1=CSC=C1 CS18039 [0,1,0,1,0,0|2,0,0]=4 345 B7R1.2 BrC1C=CC(Br)C1 MC110604 [0,1,0,1,0,0|1,0,1]=4 346 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,1,0,1,0,0|0,0,0]=2 347 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,1,0,1,0,0|0,0,0]=2 348 B7R1.2 CC1=CC(=O)NN1 CS22601 [0,1,0,1,0,0|1,0,0]=3 349 B7R1.2 CC1=CC(Br)=CS1 CS22736 [0,1,0,1,0,0|0,1,1]=4 350 B7R1.2 CC1=CC(Br)=NN1 CS12832 [0,1,0,1,0,0|2,0,0]=4 351 B7R1.2 CC1=CC(Br)=NO1 MC113406 [0,1,0,1,0,0|1,0,1]=4 352 B7R1.2 CC1=CC(C)=NN1 CS19982 [0,1,0,1,0,0|1,0,0]=3 353 B7R1.2 CC1=CC(C)=NO1 CS14107 [0,1,0,1,0,0|0,0,1]=3 354 B7R1.2 CC1=CC(I)=NN1 CS16887 [0,1,0,1,0,0|2,0,0]=4 355 B7R1.2 CC1=CC=C(Br)S1 CS22735 [0,1,0,1,0,0|0,1,1]=4 356 B7R1.2 CC1=CC=C(C)N1 CS21153 [0,1,0,1,0,0|1,0,0]=3 357 B7R1.2 CC1=CN(C)C=N1 MC111221 [0,1,0,1,0,0|2,0,0]=4 358 B7R1.2 CC1=CN(C)N=C1 CS20542 [0,1,0,1,0,0|2,0,0]=4 359 B7R1.2 CC1=CN(C)N=N1 MC103246 [0,1,0,1,0,0|2,0,0]=4 360 B7R1.2 CC1=CN=C(Br)S1 CS12301 [0,1,0,1,0,0|1,1,0]=4 361 B7R1.2 CC1=CN=C(C)S1 CS22782 [0,1,0,1,0,0|0,1,0]=3 362 B7R1.2 CC1=CN=C(N)S1 CS21821 [0,1,0,1,0,0|1,1,0]=4 363 B7R1.2 CC1=CNC(Br)=N1 MC111806 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.2 CC1=CNC(C)=N1 CS21117 [0,1,0,1,0,0|1,0,0]=3 365 B7R1.2 CC1=COC(Br)=N1 MC113513 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.2 CC1=CSC(Br)=N1 CS18300 [0,1,0,1,0,0|2,0,0]=4 367 B7R1.2 CC1=CSC(C)=N1 CS22781 [0,1,0,1,0,0|1,0,0]=3 368 B7R1.2 CC1=CSC(N)=C1 MC113026 [0,1,0,1,0,0|1,0,1]=4 369 B7R1.2 CC1=CSC(N)=C1 MC121228 [0,1,0,1,0,0|1,0,1]=4 370 B7R1.2 CC1=NC(I)=CS1 MC432141 [0,1,0,1,0,0|2,0,0]=4 371 B7R1.2 CC1=NC=C(I)N1 CS19295 [0,1,0,1,0,0|2,0,0]=4 372 B7R1.2 CC1=NC=C(I)S1 MC441133 [0,1,0,1,0,0|1,1,0]=4 373 B7R1.2 CC1=NC=C(N)N1 MC445566 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.2 CC1=NC=C(N)S1 CS15937 [0,1,0,1,0,0|1,1,0]=4 375 B7R1.2 CC1=NN(C)C=C1 CS20520 [0,1,0,1,0,0|1,0,0]=3 376 B7R1.2 CC1=NN=C(C)O1 CS15161 [0,1,0,1,0,0|1,0,1]=4 377 B7R1.2 CC1=NNC(=O)C1 CS16242 [0,1,0,1,0,0|1,0,0]=3 378 B7R1.2 CC1=NNC(=O)O1 CS10427 [0,1,0,1,0,0|2,0,0]=4 379 B7R1.2 CC1=NNC(=O)S1 MC107311 [0,1,0,1,0,0|2,0,0]=4 380 B7R1.2 CC1=NNC(C)=N1 MC444208 [0,1,0,1,0,0|2,0,0]=4 381 B7R1.2 CC1=NOC(N)=C1 CS16239 [0,1,0,1,0,0|1,0,1]=4 382 B7R1.2 CC1=NSC(=O)O1 MC42245 [0,1,0,1,0,0|2,0,0]=4 383 B7R1.2 CC1=NSC(Br)=C1 CS10288 [0,1,0,1,0,0|1,1,0]=4 384 B7R1.2 CC1=NSC(I)=C1 MC100265 [0,1,0,1,0,0|1,1,0]=4 385 B7R1.2 CC1=NSC(N)=C1 CS16387 [0,1,0,1,0,0|1,1,0]=4 386 B7R1.2 CC1COC(=O)N1 CS14300 [0,1,0,1,0,0|1,0,1]=4 387 B7R1.2 CC1COC(=O)O1 MC428298 [0,1,0,1,0,0|1,0,1]=4 388 B7R1.2 CN1C=CC(=O)N1 CS17197 [0,1,0,1,0,0|1,0,0]=3 389 B7R1.2 CN1C=CC(Br)=N1 CS20720 [0,1,0,1,0,0|2,0,0]=4 390 B7R1.2 CN1C=CC(I)=N1 MC442844 [0,1,0,1,0,0|2,0,0]=4 391 B7R1.2 CN1C=CC(N)=C1 CS17699 [0,1,0,1,0,0|1,0,1]=4 392 B7R1.2 CN1C=CC(N)=N1 CS13878 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.2 CN1CCC(=O)C1 CS20760 [0,1,0,1,0,0|0,0,2]=4 394 B7R1.2 NC1=CC(=O)NN1 CS13152 [0,1,0,1,0,0|2,0,0]=4 395 B7R1.2 NC1=NCC(=O)N1 MC102809 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.2 NC1=NNC(=O)C1 CS14532 [0,1,0,1,0,0|2,0,0]=4 397 B7R1.2 NC1CNC(=O)C1 MC103473 [0,1,0,1,0,0|1,0,1]=4 398 B7R1.2 NC1COC(=O)C1 CS14340 [0,1,0,1,0,0|1,0,1]=4 399 B7R1.2 NC1COC(=O)C1 CS14674 [0,1,0,1,0,0|1,0,1]=4 400 B7R1.2 O=C1C=C(Br)CN1 MC431199 [0,1,0,1,0,0|1,0,0]=3 401 B7R1.2 O=C1C=C(Br)CN1 MC431360 [0,1,0,1,0,0|1,0,0]=3 402 B7R1.2 O=C1CC(O)CN1 CS14706 [0,1,0,1,0,0|1,0,1]=4 403 B7R1.2 O=C1CC(O)CN1 CS16472 [0,1,0,1,0,0|1,0,1]=4 404 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,1,0,1,0,0|1,0,0]=3 405 B7R1.2 O=C1CCC(I)C1 MC115016 [0,1,0,1,0,0|0,0,2]=4 406 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,1,0,1,0,0|1,0,1]=4 407 B7R1.2 O=C1CNC(=S)N1 MC427395 [0,1,0,1,0,0|2,0,0]=4 408 B7R1.2 O=C1CSC(=O)N1 CS22526 [0,1,0,1,0,0|2,0,0]=4 409 B7R1.3 CC1=CC=CN=C1 MC107850 [0,1,0,1,0,0|1,0,1]=4 410 B7R1.3 CC1=CC=CN=N1 CS22374 [0,1,0,1,0,0|1,0,1]=4 411 B7R1.3 CC1=CC=NC=C1 MC31239 [0,1,0,1,0,0|1,0,1]=4 412 B7R1.3 CC1=CC=NC=C1 MC41625 [0,1,0,1,0,0|1,0,1]=4 413 B7R1.3 CC1=CN=CN=C1 CS18851 [0,1,0,1,0,0|2,0,0]=4 414 B7R1.3 CC1=CN=NC=C1 CS22983 [0,1,0,1,0,0|2,0,0]=4 415 B7R1.3 CC1=NC=CC=C1 MC41623 [0,1,0,1,0,0|1,0,1]=4 416 B7R1.3 CC1=NC=NC=C1 CS19795 [0,1,0,1,0,0|1,0,1]=4 417 B7R1.3 CN1CC=CCC1 CS20742 [0,1,0,1,0,0|2,0,0]=4 418 B7R1.3 O=C1C=CC=CN1 CS18724 [0,1,0,1,0,0|0,0,2]=4 419 B7R1.3 O=C1C=CC=NN1 CS19793 [0,1,0,1,0,0|1,0,1]=4 420 B7R1.3 O=C1C=CCCC1 MC41883 [0,1,0,1,0,0|0,0,0]=2 421 B7R1.3 O=C1C=CCCN1 CS15771 [0,1,0,1,0,0|0,0,0]=2 422 B7R1.3 O=C1C=CCOC1 CS17023 [0,1,0,1,0,0|0,0,0]=2 423 B7R1.3 O=C1C=CN=CN1 CS19105 [0,1,0,1,0,0|1,0,1]=4 424 B7R1.3 O=C1C=CNN=C1 MC427203 [0,1,0,1,0,0|1,0,1]=4 425 B7R1.3 O=C1CCCCN1 MC429045 [0,1,0,1,0,0|0,0,2]=4 426 B7R1.3 O=C1CCCCO1 CS11208 [0,1,0,1,0,0|0,0,2]=4 427 B7R1.3 O=C1CCCNC1 CS14768 [0,1,0,1,0,0|0,0,2]=4 428 B7R1.3 O=C1CCCNC1 CS17767 [0,1,0,1,0,0|0,0,2]=4 429 B7R1.3 O=C1CCCOC1 MC31097 [0,1,0,1,0,0|0,0,2]=4 430 B7R1.3 O=C1CCNCC1 CS22790 [0,1,0,1,0,0|0,0,2]=4 431 B7R1.3 O=C1CCOCC1 CS13380 [0,1,0,1,0,0|0,0,2]=4 432 B7R1.3 O=C1CCSCC1 CS18797 [0,1,0,1,0,0|0,0,2]=4 433 B7R1.3 O=C1CNCCN1 CS19142 [0,1,0,1,0,0|1,0,1]=4 434 B7R1.3 O=C1CNCCO1 MC441004 [0,1,0,1,0,0|1,0,1]=4 435 B7R1.3 O=C1COCCN1 CS11697 [0,1,0,1,0,0|1,0,1]=4 436 B7R1.3 O=C1COCCO1 MC20725 [0,1,0,1,0,0|1,0,1]=4 437 B7R1.4 CC1=C(Br)C=NN1 CS16927 [0,1,0,1,0,0|2,0,0]=4 438 B7R1.4 CC1=C(Br)SC=C1 CS13700 [0,1,0,1,0,0|2,0,0]=4 439 B7R1.4 CC1=CC=NN1C CS19266 [0,1,0,1,0,0|2,0,0]=4 440 B7R1.4 CC1=CNN=C1C CS13346 [0,1,0,1,0,0|2,0,0]=4 441 B7R1.4 CC1=CSC=C1Br MC441134 [0,1,0,1,0,0|2,0,0]=4 442 B7R1.4 CC1=CSC=C1N MC427269 [0,1,0,1,0,0|2,0,0]=4 443 B7R1.4 CC1=NNC=C1Br CS15947 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.4 CC1=NNC=C1I CS22358 [0,1,0,1,0,0|2,0,0]=4 445 B7R1.4 CC1=NOC=C1N CS17073 [0,1,0,1,0,0|2,0,0]=4 446 B7R1.4 CC1=NSC=C1Br MC100263 [0,1,0,1,0,0|2,0,0]=4 447 B7R1.4 CC1OCCC1=O CS14135 [0,1,0,1,0,0|1,0,1]=4 448 B7R1.4 CN1CCCC1=O MC41699 [0,1,0,1,0,0|0,0,2]=4 449 B7R1.4 CN1N=CC=C1Br CS12124 [0,1,0,1,0,0|2,0,0]=4 450 B7R1.4 CN1N=CC=C1N CS22609 [0,1,0,1,0,0|2,0,0]=4 451 B7R1.4 CN1N=CC=C1O CS10399 [0,1,0,1,0,0|1,0,1]=4 452 B7R1.4 CN1N=CCC1=O CS15601 [0,1,0,1,0,0|1,0,1]=4 453 B7R1.4 NC1CCNC1=O MC107169 [0,1,0,1,0,0|1,0,1]=4 454 B7R1.4 NC1CCNC1=O MC115917 [0,1,0,1,0,0|1,0,1]=4 455 B7R1.4 NC1CCOC1=O CS18578 [0,1,0,1,0,0|1,0,1]=4 456 B7R1.4 NC1CCOC1=O MC439296 [0,1,0,1,0,0|1,0,1]=4 457 B7R1.4 NC1CCSC1=O MC428331 [0,1,0,1,0,0|1,0,1]=4 458 B7R1.4 NC1CONC1=O CS19264 [0,1,0,1,0,0|2,0,0]=4 459 B7R1.4 NC1CONC1=O CS22528 [0,1,0,1,0,0|2,0,0]=4 460 B7R1.4 NC1CONC1=O MC436879 [0,1,0,1,0,0|2,0,0]=4 461 B7R1.4 O=C1CCC=C1O CS14654 [0,1,0,1,0,0|0,0,0]=2 462 B7R1.4 O=C1CCCC1Br MC445112 [0,1,0,1,0,0|0,0,2]=4 463 B7R1.4 O=C1NCCC1O CS19486 [0,1,0,1,0,0|1,0,1]=4 464 B7R1.4 O=C1NCCC1O MC115910 [0,1,0,1,0,0|1,0,1]=4 465 B7R1.4 O=C1NCCC1O MC444274 [0,1,0,1,0,0|1,0,1]=4 466 B7R1.6 COC=C1COC1 MC113188 [0,1,0,1,0,0|1,0,1]=4 467 B7R1.10 NCC1CC(=O)C1 MC444212 [0,1,0,1,0,0|0,0,2]=4 468 B7R1.10 NCC1CC(=O)N1 MC111758 [0,1,0,1,0,0|1,0,1]=4 469 B7R1.10 O=C1CC(CI)N1 MC111759 [0,1,0,1,0,0|1,0,1]=4 470 B7R1.10 O=C1CC(CO)C1 MC113039 [0,1,0,1,0,0|0,0,2]=4 471 B7R1.22 COC(=O)C1CC1 MC41839 [0,1,0,1,0,0|0,0,2]=4 472 B7R1.22 O=C(CBr)C1CC1 MC433212 [0,1,0,1,0,0|0,0,2]=4 473 B7R1.14 O=S1(=O)C=CCO1 CS13255 [0,1,0,1,0,0|2,0,0]=4 474 B7R1.14 O=S1(=O)CCC=N1 MC103630 [0,1,0,1,0,0|2,0,0]=4