0 B5R1.1 C1=CCNC1 MC10278 [0,0,0,0,0,0|0,0,2]=2 1 B5R1.1 C1=CNC=C1 MC20798 [0,0,0,0,0,0|0,0,4]=4 2 B5R1.1 C1=CNC=N1 CS19767 [0,0,0,0,0,0|1,0,3]=4 3 B5R1.1 C1=CNN=C1 CS18933 [0,0,0,0,0,0|1,0,3]=4 4 B5R1.1 C1=CNN=N1 CS18218 [0,0,0,0,0,0|2,0,2]=4 5 B5R1.1 C1=NC=NN1 CS19896 [0,0,0,0,0,0|2,0,2]=4 6 B5R1.1 C1=NN=NN1 MC439133 [0,0,0,0,0,0|3,0,1]=4 7 B5R1.1 C1CCNC1 MC41708 [0,0,0,0,0,0|0,0,0]=0 8 B5R1.1 C1CNNC1 CS16750 [0,0,0,0,0,0|1,0,0]=1 9 B6R1.2 BrC1CCNC1 CS15742 [0,1,0,0,0,0|0,0,0]=1 10 B6R1.2 BrC1CCOC1 CS14643 [0,1,0,0,0,0|1,0,0]=2 11 B6R1.2 CC1=NCCC1 CS21664 [0,1,0,0,0,0|0,0,2]=3 12 B6R1.2 CC1CCCN1 CS18299 [0,1,0,0,0,0|0,0,0]=1 13 B6R1.2 CC1CCCN1 CS18800 [0,1,0,0,0,0|0,0,0]=1 14 B6R1.2 CC1CCCN1 CS19735 [0,1,0,0,0,0|0,0,0]=1 15 B6R1.2 CC1CCCN1 CS21699 [0,1,0,0,0,0|0,0,0]=1 16 B6R1.2 CC1CCCN1 CS21700 [0,1,0,0,0,0|0,0,0]=1 17 B6R1.2 CC1CCCN1 MC428345 [0,1,0,0,0,0|0,0,0]=1 18 B6R1.2 CC1CCCO1 MC20580 [0,1,0,0,0,0|1,0,0]=2 19 B6R1.2 FC1CCNC1 CS12894 [0,1,0,0,0,0|0,0,0]=1 20 B6R1.2 FC1CCNC1 CS14870 [0,1,0,0,0,0|0,0,0]=1 21 B6R1.2 FC1CCNC1 MC31003 [0,1,0,0,0,0|0,0,0]=1 22 B6R1.2 IC1CCOC1 MC101926 [0,1,0,0,0,0|1,0,0]=2 23 B6R1.2 NC1=NCCC1 CS19310 [0,1,0,0,0,0|0,0,2]=3 24 B6R1.2 NC1CC=CC1 CS19415 [0,1,0,0,0,0|1,0,1]=3 25 B6R1.2 NC1CCOC1 CS12010 [0,1,0,0,0,0|1,0,0]=2 26 B6R1.2 NC1CCOC1 CS13003 [0,1,0,0,0,0|1,0,0]=2 27 B6R1.2 NC1CCOC1 CS20366 [0,1,0,0,0,0|1,0,0]=2 28 B6R1.2 NC1CCOC1 MC443324 [0,1,0,0,0,0|1,0,0]=2 29 B6R1.2 NC1CCOC1 MC444237 [0,1,0,0,0,0|1,0,0]=2 30 B6R1.2 O=C1CC=NN1 CS20496 [0,1,0,0,0,0|1,0,2]=4 31 B6R1.2 O=C1CCCC1 MC21085 [0,1,0,0,0,0|1,0,0]=2 32 B6R1.2 O=C1CCNC1 CS22412 [0,1,0,0,0,0|0,0,1]=2 33 B6R1.2 O=C1CCOC1 CS18178 [0,1,0,0,0,0|1,0,1]=3 34 B6R1.2 O=C1CCSC1 MC20305 [0,1,0,0,0,0|1,0,1]=3 35 B6R1.2 O=C1CNCN1 CS15654 [0,1,0,0,0,0|1,0,1]=3 36 B6R1.2 O=C1NCCN1 CS21607 [0,1,0,0,0,0|1,0,1]=3 37 B6R1.2 O=C1NCCS1 CS20525 [0,1,0,0,0,0|1,0,1]=3 38 B6R1.2 O=C1OCCO1 CS20012 [0,1,0,0,0,0|2,0,1]=4 39 B6R1.2 OC1CC=CC1 MC10342 [0,1,0,0,0,0|1,0,1]=3 40 B6R1.2 OC1CCNC1 CS16166 [0,1,0,0,0,0|0,0,0]=1 41 B6R1.2 OC1CCNC1 CS16635 [0,1,0,0,0,0|0,0,0]=1 42 B6R1.2 OC1CCNC1 CS16650 [0,1,0,0,0,0|0,0,0]=1 43 B6R1.2 OC1CCNC1 CS17407 [0,1,0,0,0,0|0,0,0]=1 44 B6R1.2 OC1CCNC1 CS21757 [0,1,0,0,0,0|0,0,0]=1 45 B6R1.2 OC1CCOC1 CS20284 [0,1,0,0,0,0|1,0,0]=2 46 B6R1.2 OC1CCOC1 MC42235 [0,1,0,0,0,0|1,0,0]=2 47 B6R1.2 OC1CCOC1 MC444279 [0,1,0,0,0,0|1,0,0]=2 48 B4R0.2 C#CCCN MC424006 [0,0,1,0,0,0|0,0,2]=3 49 B4R0.2 C#CCNC MC41929 [0,0,1,0,0,0|0,0,2]=3 50 B4R0.2 C#CCON MC113172 [0,0,1,0,0,0|1,0,2]=4 51 B4R0.2 C=CCNN MC107856 [0,0,1,0,0,0|1,0,2]=4 52 B4R0.2 C=COCC MC41915 [0,0,1,0,0,0|1,0,2]=4 53 B4R0.2 CCCC=O MC41868 [0,0,1,0,0,0|1,0,1]=3 54 B4R0.2 CCCCO MC41869 [0,0,1,0,0,0|1,0,0]=2 55 B4R0.2 CCC[Zn]Br MC121348 [0,0,1,0,0,0|2,0,0]=3 56 B4R0.2 CCNCC CS11240 [0,0,1,0,0,0|0,0,0]=1 57 B4R0.2 CCOC=N MC33024 [0,0,1,0,0,0|1,0,2]=4 58 B4R0.2 CCOC=O MC41912 [0,0,1,0,0,0|2,0,1]=4 59 B4R0.2 CCOCC MC41960 [0,0,1,0,0,0|1,0,0]=2 60 B4R0.2 CC[Zn]CC MC10752 [0,0,1,0,0,0|1,0,0]=2 61 B4R0.2 CNCC#N CS19888 [0,0,1,0,0,0|1,0,1]=3 62 B4R0.2 CNCCO CS20910 [0,0,1,0,0,0|1,0,0]=2 63 B4R0.2 COCC#N MC40783 [0,0,1,0,0,0|1,0,2]=4 64 B4R0.2 COCCCl MC428007 [0,0,1,0,0,0|2,0,0]=3 65 B4R0.2 ClCCCBr MC41861 [0,0,1,0,0,0|2,0,0]=3 66 B4R0.2 N#CCCBr CS22188 [0,0,1,0,0,0|1,0,2]=4 67 B4R0.2 NCCCBr CS22190 [0,0,1,0,0,0|1,0,0]=2 68 B4R0.2 NCCCS MC428180 [0,0,1,0,0,0|1,0,0]=2 69 B4R0.2 [NH3+]CCCS MC428140 [0,0,1,0,0,0|1,0,1]=3 70 B4R1.1 C1CNC1 CS14211 [0,0,0,0,1,0|0,0,0]=1 71 B4R1.1 C1CNC1 MC445038 [0,0,0,0,1,0|0,0,0]=1 72 B6R1.1 C1=CCNCC1 MC444071 [0,0,0,0,0,1|0,0,1]=2 73 B6R1.1 C1=CCOCC1 MC427315 [0,0,0,0,0,1|1,0,1]=3 74 B6R1.1 C1=CCSCC1 MC427366 [0,0,0,0,0,1|1,0,1]=3 75 B6R1.1 C1=COCCC1 MC20500 [0,0,0,0,0,1|1,0,1]=3 76 B6R1.1 C1CCCCC1 MC41853 [0,0,0,0,0,1|1,0,0]=2 77 B6R1.1 C1CCNNC1 CS17893 [0,0,0,0,0,1|0,0,0]=1 78 B6R1.1 C1CC[NH2+]CC1 CS16333 [0,0,0,0,0,1|0,0,1]=2 79 B6R1.1 C1CNCCN1 MC41703 [0,0,0,0,0,1|0,0,0]=1 80 B6R1.1 C1COCCN1 MC20726 [0,0,0,0,0,1|0,0,0]=1 81 B6R1.1 C1CSCCN1 MC20759 [0,0,0,0,0,1|0,0,0]=1 82 B3R0.1 BrCCBr MC41884 [1,0,1,0,0,0|2,0,0]=4 83 B3R0.1 CCC#N MC41959 [1,0,1,0,0,0|0,0,2]=4 84 B3R0.1 CCON CS11314 [1,0,1,0,0,0|1,0,0]=3 85 B3R0.1 CC[Zn]Br MC116063 [1,0,1,0,0,0|2,0,0]=4 86 B3R0.1 CNOC CS13986 [1,0,1,0,0,0|1,0,0]=3 87 B3R0.1 COCCl MC41874 [1,0,1,0,0,0|2,0,0]=4 88 B3R0.1 C\C=C\C MC428373 [1,0,1,0,0,0|0,0,2]=4 89 B3R0.1 FCCBr MC429448 [1,0,1,0,0,0|2,0,0]=4 90 B3R0.1 N#CCN CS19759 [1,0,1,0,0,0|1,0,1]=4 91 B3R0.1 NCCBr CS14044 [1,0,1,0,0,0|1,0,0]=3 92 B3R0.1 NCCCl CS16188 [1,0,1,0,0,0|1,0,0]=3 93 B3R0.1 NCCF CS21564 [1,0,1,0,0,0|1,0,0]=3 94 B3R0.1 SCCS MC20652 [1,0,1,0,0,0|2,0,0]=4 95 B5R0.1 C=C(C)CCBr CS14513 [0,1,1,0,0,0|1,0,1]=4 96 B5R0.1 CC(C)CC=O CS11530 [0,1,1,0,0,0|1,0,1]=4 97 B5R0.1 CC(N)CCO CS14355 [0,1,1,0,0,0|1,0,0]=3 98 B5R0.1 CC(N)CCO CS14356 [0,1,1,0,0,0|1,0,0]=3 99 B5R0.1 CC(N)CCO CS22096 [0,1,1,0,0,0|1,0,0]=3 100 B5R0.1 CC(O)CON CS17735 [0,1,1,0,0,0|1,0,0]=3 101 B5R0.1 CCCB(O)O CS14802 [0,1,1,0,0,0|2,0,0]=4 102 B5R0.1 CCCC(C)=O CS21731 [0,1,1,0,0,0|1,0,0]=3 103 B5R0.1 CCC[N+](=O)[O-] MC428297 [0,1,1,0,0,0|1,0,1]=4 104 B5R0.1 CCOC(=N)N CS11818 [0,1,1,0,0,0|1,0,1]=4 105 B5R0.1 CN(C)CC=O CS17734 [0,1,1,0,0,0|1,0,1]=4 106 B5R0.1 CN(C)CCBr CS10949 [0,1,1,0,0,0|1,0,0]=3 107 B5R0.1 CN(C)CCCl CS14471 [0,1,1,0,0,0|1,0,0]=3 108 B5R0.1 CN(C)CCCl CS17225 [0,1,1,0,0,0|1,0,0]=3 109 B5R0.1 CN(C)CCN CS18603 [0,1,1,0,0,0|1,0,0]=3 110 B5R0.1 CN(C)CCO CS11733 [0,1,1,0,0,0|1,0,0]=3 111 B5R0.1 CNCC(=O)O CS18595 [0,1,1,0,0,0|1,0,1]=4 112 B5R0.1 CNCC(N)=O MC438151 [0,1,1,0,0,0|1,0,1]=4 113 B5R0.1 COCC(C)N CS15401 [0,1,1,0,0,0|1,0,0]=3 114 B5R0.1 COCC(C)O CS20249 [0,1,1,0,0,0|1,0,0]=3 115 B5R0.1 COCC(C)O CS20309 [0,1,1,0,0,0|1,0,0]=3 116 B5R0.1 COCC(C)O CS20741 [0,1,1,0,0,0|1,0,0]=3 117 B5R0.1 COCC(N)=O MC41924 [0,1,1,0,0,0|1,0,1]=4 118 B5R0.1 COCC(N)=S MC102255 [0,1,1,0,0,0|1,0,1]=4 119 B5R0.1 CSCC(N)=O CS12608 [0,1,1,0,0,0|1,0,1]=4 120 B5R0.1 NCCC(=O)O CS13499 [0,1,1,0,0,0|1,0,1]=4 121 B5R0.1 NCCC(N)=O MC436150 [0,1,1,0,0,0|1,0,1]=4 122 B5R0.2 BrCCCCBr MC41885 [0,1,1,0,0,0|1,0,0]=3 123 B5R0.2 C=CCCON MC110761 [0,1,1,0,0,0|0,0,2]=4 124 B5R0.2 CCCCCBr CS20657 [0,1,1,0,0,0|1,0,0]=3 125 B5R0.2 CCCC[Zn]Br MC121334 [0,1,1,0,0,0|1,0,0]=3 126 B5R0.2 CCOCCBr CS21396 [0,1,1,0,0,0|1,0,0]=3 127 B5R0.2 CCOCCCl MC428008 [0,1,1,0,0,0|1,0,0]=3 128 B5R0.2 CNCCC#N CS22369 [0,1,1,0,0,0|0,0,1]=3 129 B5R0.2 CNCCCO CS14200 [0,1,1,0,0,0|0,0,0]=2 130 B5R0.2 CNCCNC CS15116 [0,1,1,0,0,0|0,0,0]=2 131 B5R0.2 CNCCOC MC427349 [0,1,1,0,0,0|0,0,0]=2 132 B5R0.2 COCCC#N CS22345 [0,1,1,0,0,0|0,0,2]=4 133 B5R0.2 COCCCBr CS20649 [0,1,1,0,0,0|1,0,0]=3 134 B5R0.2 COCCCO CS20039 [0,1,1,0,0,0|1,0,0]=3 135 B5R0.2 COCCNN MC103229 [0,1,1,0,0,0|1,0,0]=3 136 B5R0.2 COCCNN MC107041 [0,1,1,0,0,0|1,0,0]=3 137 B5R0.2 COCCOC MC41899 [0,1,1,0,0,0|1,0,0]=3 138 B5R0.2 COCCOC MC445008 [0,1,1,0,0,0|1,0,0]=3 139 B5R0.2 N#CCCCBr MC433750 [0,1,1,0,0,0|0,0,2]=4 140 B5R0.2 NCC#CCCl MC436177 [0,1,1,0,0,0|0,0,2]=4 141 B5R0.2 NCCCCBr CS14979 [0,1,1,0,0,0|0,0,0]=2 142 B5R0.2 NCCCCN CS19906 [0,1,1,0,0,0|0,0,0]=2 143 B5R0.3 CCC(C)[Zn]Br MC121335 [0,1,1,0,0,0|2,0,0]=4 144 B5R0.3 CCC(N)CO CS15119 [0,1,1,0,0,0|1,0,0]=3 145 B5R0.3 CCC(N)CO MC10528 [0,1,1,0,0,0|1,0,0]=3 146 B5R0.3 CCC(N)CO MC20718 [0,1,1,0,0,0|1,0,0]=3 147 B5R0.3 CCC(N)CO MC436159 [0,1,1,0,0,0|1,0,0]=3 148 B5R0.3 CCC(O)CO CS15622 [0,1,1,0,0,0|1,0,0]=3 149 B5R0.3 CNC(=O)CCl MC21094 [0,1,1,0,0,0|1,0,1]=4 150 B5R0.3 CNC(=O)CN MC437710 [0,1,1,0,0,0|1,0,1]=4 151 B5R0.3 COC(=O)CN CS15045 [0,1,1,0,0,0|1,0,1]=4 152 B5R0.3 COC(C)CN CS17733 [0,1,1,0,0,0|1,0,0]=3 153 B5R0.3 COC(C)CO CS12306 [0,1,1,0,0,0|2,0,0]=4 154 B5R0.3 NC(CO)CO CS18352 [0,1,1,0,0,0|2,0,0]=4 155 B5R0.3 NCC(O)CCl MC427329 [0,1,1,0,0,0|1,0,0]=3 156 B5R0.3 NCC(O)CN CS14232 [0,1,1,0,0,0|1,0,0]=3 157 B5R0.3 NCC(O)CO CS14832 [0,1,1,0,0,0|1,0,0]=3 158 B5R0.3 NCC(O)CO CS18397 [0,1,1,0,0,0|1,0,0]=3 159 B5R0.3 NCC(O)CO MC20311 [0,1,1,0,0,0|1,0,0]=3 160 B5R0.3 OC(CCl)CCl MC428012 [0,1,1,0,0,0|2,0,0]=4 161 B5R0.3 OC(CF)CF MC429449 [0,1,1,0,0,0|2,0,0]=4 162 B5R0.3 OCC(O)CCl CS15061 [0,1,1,0,0,0|2,0,0]=4 163 B5R0.3 OCC(O)CCl MC20314 [0,1,1,0,0,0|2,0,0]=4 164 B5R1.2 BrC1CNC1 MC444255 [0,1,0,0,1,0|0,0,0]=2 165 B5R1.2 BrC1COC1 MC425330 [0,1,0,0,1,0|1,0,0]=3 166 B5R1.2 CC1CNC1 CS13089 [0,1,0,0,1,0|0,0,0]=2 167 B5R1.2 ClC1CNC1 MC444320 [0,1,0,0,1,0|0,0,0]=2 168 B5R1.2 FC1CNC1 CS22297 [0,1,0,0,1,0|0,0,0]=2 169 B5R1.2 FC1COC1 MC113065 [0,1,0,0,1,0|1,0,0]=3 170 B5R1.2 IC1CNC1 MC444286 [0,1,0,0,1,0|0,0,0]=2 171 B5R1.2 IC1COC1 MC10503 [0,1,0,0,1,0|1,0,0]=3 172 B5R1.2 NC1COC1 CS22388 [0,1,0,0,1,0|1,0,0]=3 173 B5R1.2 NC1COC1 MC425332 [0,1,0,0,1,0|1,0,0]=3 174 B5R1.2 NC1CSC1 MC102176 [0,1,0,0,1,0|1,0,0]=3 175 B5R1.2 NC1CSC1 MC115657 [0,1,0,0,1,0|1,0,0]=3 176 B5R1.2 O=C1CCC1 MC10479 [0,1,0,0,1,0|0,0,1]=3 177 B5R1.2 O=C1CCN1 MC31231 [0,1,0,0,1,0|0,0,1]=3 178 B5R1.2 O=C1CNC1 MC444241 [0,1,0,0,1,0|0,0,1]=3 179 B5R1.2 O=C1COC1 CS22391 [0,1,0,0,1,0|1,0,1]=4 180 B5R1.2 O=C1CSC1 CS13345 [0,1,0,0,1,0|1,0,1]=4 181 B5R1.2 OC1CCC1 CS11176 [0,1,0,0,1,0|0,0,0]=2 182 B5R1.2 OC1CNC1 CS14687 [0,1,0,0,1,0|0,0,0]=2 183 B5R1.2 OC1COC1 CS19329 [0,1,0,0,1,0|1,0,0]=3 184 B5R1.2 SC1COC1 MC101966 [0,1,0,0,1,0|1,0,0]=3 185 B7R1.3 BrC1CCCCC1 CS11079 [0,1,0,0,0,1|1,0,0]=3 186 B7R1.3 BrC1CCNCC1 CS18356 [0,1,0,0,0,1|0,0,0]=2 187 B7R1.3 BrC1CCOCC1 CS18193 [0,1,0,0,0,1|1,0,0]=3 188 B7R1.3 CC1CCCCN1 MC20418 [0,1,0,0,0,1|0,0,0]=2 189 B7R1.3 CC1CCCNC1 CS16133 [0,1,0,0,0,1|0,0,0]=2 190 B7R1.3 CC1CCCNC1 MC425227 [0,1,0,0,0,1|0,0,0]=2 191 B7R1.3 CC1CNCCN1 CS13503 [0,1,0,0,0,1|0,0,0]=2 192 B7R1.3 CC1CNCCN1 CS17164 [0,1,0,0,0,1|0,0,0]=2 193 B7R1.3 CC1CNCCN1 CS17167 [0,1,0,0,0,1|0,0,0]=2 194 B7R1.3 CC1CNCCO1 CS14515 [0,1,0,0,0,1|0,0,0]=2 195 B7R1.3 CC1CNCCO1 CS14521 [0,1,0,0,0,1|0,0,0]=2 196 B7R1.3 CC1CNCCO1 CS19299 [0,1,0,0,0,1|0,0,0]=2 197 B7R1.3 CC1CNCCO1 CS21692 [0,1,0,0,0,1|0,0,0]=2 198 B7R1.3 CC1CNCCO1 MC444038 [0,1,0,0,0,1|0,0,0]=2 199 B7R1.3 CC1CNCCO1 MC444192 [0,1,0,0,0,1|0,0,0]=2 200 B7R1.3 CC1COCCN1 CS14856 [0,1,0,0,0,1|0,0,0]=2 201 B7R1.3 CC1COCCN1 CS20285 [0,1,0,0,0,1|0,0,0]=2 202 B7R1.3 CC1COCCN1 CS22371 [0,1,0,0,0,1|0,0,0]=2 203 B7R1.3 CC1COCCN1 CS22413 [0,1,0,0,0,1|0,0,0]=2 204 B7R1.3 CC1COCCN1 MC20820 [0,1,0,0,0,1|0,0,0]=2 205 B7R1.3 CN1CC=CCC1 CS20742 [0,1,0,0,0,1|0,0,1]=3 206 B7R1.3 CN1CCNCC1 MC20458 [0,1,0,0,0,1|0,0,0]=2 207 B7R1.3 ClC1CCNCC1 CS16938 [0,1,0,0,0,1|0,0,0]=2 208 B7R1.3 FC1CCCNC1 MC101908 [0,1,0,0,0,1|0,0,0]=2 209 B7R1.3 FC1CCCNC1 MC101918 [0,1,0,0,0,1|0,0,0]=2 210 B7R1.3 FC1CCCNC1 MC444270 [0,1,0,0,0,1|0,0,0]=2 211 B7R1.3 FC1CCNCC1 CS22845 [0,1,0,0,0,1|0,0,0]=2 212 B7R1.3 IC1CCOCC1 CS18194 [0,1,0,0,0,1|1,0,0]=3 213 B7R1.3 NC1CCCNC1 CS17178 [0,1,0,0,0,1|0,0,0]=2 214 B7R1.3 NC1CCCNC1 CS17182 [0,1,0,0,0,1|0,0,0]=2 215 B7R1.3 NC1CCCNC1 CS22655 [0,1,0,0,0,1|0,0,0]=2 216 B7R1.3 NC1CCOCC1 CS16997 [0,1,0,0,0,1|1,0,0]=3 217 B7R1.3 NC1CCOCC1 CS18985 [0,1,0,0,0,1|1,0,0]=3 218 B7R1.3 O=C1C=CCCC1 MC41883 [0,1,0,0,0,1|1,0,1]=4 219 B7R1.3 O=C1C=CCCN1 CS15771 [0,1,0,0,0,1|0,0,2]=4 220 B7R1.3 O=C1CCCCN1 MC429045 [0,1,0,0,0,1|0,0,0]=2 221 B7R1.3 O=C1CCCCO1 CS11208 [0,1,0,0,0,1|1,0,0]=3 222 B7R1.3 O=C1CCCNC1 CS14768 [0,1,0,0,0,1|0,0,0]=2 223 B7R1.3 O=C1CCCNC1 CS17767 [0,1,0,0,0,1|0,0,0]=2 224 B7R1.3 O=C1CCCOC1 MC31097 [0,1,0,0,0,1|1,0,0]=3 225 B7R1.3 O=C1CCNCC1 CS22790 [0,1,0,0,0,1|0,0,0]=2 226 B7R1.3 O=C1CCOCC1 CS13380 [0,1,0,0,0,1|1,0,0]=3 227 B7R1.3 O=C1CCSCC1 CS18797 [0,1,0,0,0,1|1,0,0]=3 228 B7R1.3 O=C1CNCCN1 CS19142 [0,1,0,0,0,1|0,0,1]=3 229 B7R1.3 O=C1CNCCO1 MC441004 [0,1,0,0,0,1|0,0,1]=3 230 B7R1.3 O=C1COCCN1 CS11697 [0,1,0,0,0,1|0,0,1]=3 231 B7R1.3 O=C1COCCO1 MC20725 [0,1,0,0,0,1|1,0,1]=4 232 B7R1.3 OC1CCCNC1 CS17016 [0,1,0,0,0,1|0,0,0]=2 233 B7R1.3 OC1CCCNC1 CS17020 [0,1,0,0,0,1|0,0,0]=2 234 B7R1.3 OC1CCCNC1 CS22642 [0,1,0,0,0,1|0,0,0]=2 235 B7R1.3 OC1CCCOC1 CS17782 [0,1,0,0,0,1|1,0,0]=3 236 B7R1.3 OC1CCNCC1 CS14900 [0,1,0,0,0,1|0,0,0]=2 237 B7R1.3 OC1CCNCC1 CS22643 [0,1,0,0,0,1|0,0,0]=2 238 B7R1.3 OC1CCOCC1 CS13929 [0,1,0,0,0,1|1,0,0]=3 239 B7R1.3 OC1CCSCC1 CS12012 [0,1,0,0,0,1|1,0,0]=3 240 B7R1.3 SC1CCCNC1 MC105166 [0,1,0,0,0,1|0,0,0]=2 241 B7R1.3 SC1CCOCC1 MC107026 [0,1,0,0,0,1|1,0,0]=3 242 B7R1.1 BrCC1CCCC1 MC20145 [0,2,0,0,0,0|1,0,0]=3 243 B7R1.1 BrCC1CCCN1 MC114648 [0,2,0,0,0,0|0,0,0]=2 244 B7R1.1 BrCC1CCCO1 MC106365 [0,2,0,0,0,0|1,0,0]=3 245 B7R1.1 BrCC1OCCO1 CS21401 [0,2,0,0,0,0|2,0,0]=4 246 B7R1.1 Br[Zn]C1CCCC1 MC121342 [0,2,0,0,0,0|1,0,0]=3 247 B7R1.1 C#CC1CCOC1 MC103679 [0,2,0,0,0,0|1,0,0]=3 248 B7R1.1 CCC1CCCN1 MC110951 [0,2,0,0,0,0|0,0,0]=2 249 B7R1.1 CNC1CCOC1 MC104966 [0,2,0,0,0,0|1,0,0]=3 250 B7R1.1 CNC1CCOC1 MC105597 [0,2,0,0,0,0|1,0,0]=3 251 B7R1.1 COC1=NCCC1 CS10423 [0,2,0,0,0,0|0,0,2]=4 252 B7R1.1 COC1CCCN1 MC41692 [0,2,0,0,0,0|0,0,0]=2 253 B7R1.1 COC1CCNC1 CS12136 [0,2,0,0,0,0|0,0,0]=2 254 B7R1.1 COC1CCNC1 CS12137 [0,2,0,0,0,0|0,0,0]=2 255 B7R1.1 COC1CCNC1 CS22350 [0,2,0,0,0,0|0,0,0]=2 256 B7R1.1 ClCC1=NCCN1 CS13610 [0,2,0,0,0,0|1,0,1]=4 257 B7R1.1 ClCC1OCCO1 MC428002 [0,2,0,0,0,0|2,0,0]=4 258 B7R1.1 FCC1CCCN1 MC100102 [0,2,0,0,0,0|0,0,0]=2 259 B7R1.1 FCC1CCNC1 MC103199 [0,2,0,0,0,0|0,0,0]=2 260 B7R1.1 N#CC1CCCC1 MC433761 [0,2,0,0,0,0|1,0,0]=3 261 B7R1.1 N#CC1CCCN1 MC104069 [0,2,0,0,0,0|0,0,0]=2 262 B7R1.1 N#CC1CCOC1 MC103877 [0,2,0,0,0,0|1,0,0]=3 263 B7R1.1 N#CC1CCOC1 MC103878 [0,2,0,0,0,0|1,0,0]=3 264 B7R1.1 NCC1CCCC1 CS14873 [0,2,0,0,0,0|1,0,0]=3 265 B7R1.1 NCC1CCCN1 CS15469 [0,2,0,0,0,0|0,0,0]=2 266 B7R1.1 NCC1CCCN1 CS15745 [0,2,0,0,0,0|0,0,0]=2 267 B7R1.1 NCC1CCNC1 MC431426 [0,2,0,0,0,0|0,0,0]=2 268 B7R1.1 NCC1CCOC1 MC102307 [0,2,0,0,0,0|1,0,0]=3 269 B7R1.1 NCC1CCOC1 MC103862 [0,2,0,0,0,0|1,0,0]=3 270 B7R1.1 NCC1CCOC1 MC115675 [0,2,0,0,0,0|1,0,0]=3 271 B7R1.1 NCC1CCOC1 MC121256 [0,2,0,0,0,0|1,0,0]=3 272 B7R1.1 O=CC1=CCCC1 CS12865 [0,2,0,0,0,0|1,0,1]=4 273 B7R1.1 O=CC1CCCC1 MC21048 [0,2,0,0,0,0|1,0,0]=3 274 B7R1.1 OCC1CC=CC1 CS20734 [0,2,0,0,0,0|1,0,1]=4 275 B7R1.1 OCC1CCCC1 CS11185 [0,2,0,0,0,0|1,0,0]=3 276 B7R1.1 OCC1CCCN1 CS17003 [0,2,0,0,0,0|0,0,0]=2 277 B7R1.1 OCC1CCCN1 CS22640 [0,2,0,0,0,0|0,0,0]=2 278 B7R1.1 OCC1CCCO1 MC20392 [0,2,0,0,0,0|1,0,0]=3 279 B7R1.1 OCC1CCNC1 CS11284 [0,2,0,0,0,0|0,0,0]=2 280 B7R1.1 OCC1CCNC1 CS16764 [0,2,0,0,0,0|0,0,0]=2 281 B7R1.1 OCC1CCNC1 CS18341 [0,2,0,0,0,0|0,0,0]=2 282 B7R1.1 OCC1CCNC1 MC102405 [0,2,0,0,0,0|0,0,0]=2 283 B7R1.1 OCC1CCNC1 MC115660 [0,2,0,0,0,0|0,0,0]=2 284 B7R1.1 OCC1CCOC1 MC113000 [0,2,0,0,0,0|1,0,0]=3 285 B7R1.1 OCC1CCOC1 MC113001 [0,2,0,0,0,0|1,0,0]=3 286 B7R1.1 OCC1CCOC1 MC427704 [0,2,0,0,0,0|1,0,0]=3 287 B7R1.2 BrC1C=CC(Br)C1 MC110604 [0,2,0,0,0,0|1,0,1]=4 288 B7R1.2 CC1CCC(C)N1 MC102818 [0,2,0,0,0,0|0,0,0]=2 289 B7R1.2 CC1COC(=O)N1 CS14300 [0,2,0,0,0,0|1,0,1]=4 290 B7R1.2 CN1CCC(=O)C1 CS20760 [0,2,0,0,0,0|0,0,1]=3 291 B7R1.2 CN1CCC(N)C1 MC444033 [0,2,0,0,0,0|0,0,0]=2 292 B7R1.2 CN1CCC(N)C1 MC444055 [0,2,0,0,0,0|0,0,0]=2 293 B7R1.2 CN1CCC(N)C1 MC444130 [0,2,0,0,0,0|0,0,0]=2 294 B7R1.2 CN1CCC(O)C1 MC20690 [0,2,0,0,0,0|0,0,0]=2 295 B7R1.2 CN1CCC(O)C1 MC444062 [0,2,0,0,0,0|0,0,0]=2 296 B7R1.2 CN1CCC(O)C1 MC444273 [0,2,0,0,0,0|0,0,0]=2 297 B7R1.2 NC1CCC(O)C1 CS12946 [0,2,0,0,0,0|1,0,0]=3 298 B7R1.2 NC1CCC(O)C1 CS14798 [0,2,0,0,0,0|1,0,0]=3 299 B7R1.2 NC1CCC(O)C1 CS15869 [0,2,0,0,0,0|1,0,0]=3 300 B7R1.2 NC1CCC(O)C1 CS16172 [0,2,0,0,0,0|1,0,0]=3 301 B7R1.2 NC1CNC(=O)C1 MC103473 [0,2,0,0,0,0|0,0,1]=3 302 B7R1.2 NC1COC(=O)C1 CS14340 [0,2,0,0,0,0|1,0,1]=4 303 B7R1.2 NC1COC(=O)C1 CS14674 [0,2,0,0,0,0|1,0,1]=4 304 B7R1.2 O=C1CC(O)CN1 CS14706 [0,2,0,0,0,0|0,0,1]=3 305 B7R1.2 O=C1CC(O)CN1 CS16472 [0,2,0,0,0,0|0,0,1]=3 306 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,2,0,0,0,0|0,0,2]=4 307 B7R1.2 O=C1CCC(I)C1 MC115016 [0,2,0,0,0,0|1,0,0]=3 308 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,2,0,0,0,0|0,0,2]=4 309 B7R1.4 CC1COCC1N MC444024 [0,2,0,0,0,0|1,0,0]=3 310 B7R1.4 CC1OCCC1=O CS14135 [0,2,0,0,0,0|1,0,1]=4 311 B7R1.4 CN1CCCC1=O MC41699 [0,2,0,0,0,0|0,0,1]=3 312 B7R1.4 NC1CCCC1O CS11147 [0,2,0,0,0,0|1,0,0]=3 313 B7R1.4 NC1CCCC1O CS15594 [0,2,0,0,0,0|1,0,0]=3 314 B7R1.4 NC1CCCC1O CS18884 [0,2,0,0,0,0|1,0,0]=3 315 B7R1.4 NC1CCCC1O CS19404 [0,2,0,0,0,0|1,0,0]=3 316 B7R1.4 NC1CCNC1=O MC107169 [0,2,0,0,0,0|0,0,1]=3 317 B7R1.4 NC1CCNC1=O MC115917 [0,2,0,0,0,0|0,0,1]=3 318 B7R1.4 NC1CCOC1=O CS18578 [0,2,0,0,0,0|1,0,1]=4 319 B7R1.4 NC1CCOC1=O MC439296 [0,2,0,0,0,0|1,0,1]=4 320 B7R1.4 NC1CCSC1=O MC428331 [0,2,0,0,0,0|1,0,1]=4 321 B7R1.4 NC1COCC1N MC101979 [0,2,0,0,0,0|1,0,0]=3 322 B7R1.4 NC1COCC1N MC101980 [0,2,0,0,0,0|1,0,0]=3 323 B7R1.4 NC1COCC1N MC103863 [0,2,0,0,0,0|1,0,0]=3 324 B7R1.4 NC1COCC1N MC113515 [0,2,0,0,0,0|1,0,0]=3 325 B7R1.4 NC1COCC1N MC444023 [0,2,0,0,0,0|1,0,0]=3 326 B7R1.4 NC1COCC1O MC105386 [0,2,0,0,0,0|1,0,0]=3 327 B7R1.4 NC1COCC1O MC105387 [0,2,0,0,0,0|1,0,0]=3 328 B7R1.4 NC1COCC1O MC431325 [0,2,0,0,0,0|1,0,0]=3 329 B7R1.4 NC1CONC1=O CS19264 [0,2,0,0,0,0|1,0,1]=4 330 B7R1.4 NC1CONC1=O CS22528 [0,2,0,0,0,0|1,0,1]=4 331 B7R1.4 NC1CONC1=O MC436879 [0,2,0,0,0,0|1,0,1]=4 332 B7R1.4 NN1CCOC1=O MC102926 [0,2,0,0,0,0|1,0,1]=4 333 B7R1.4 O=C1CCCC1Br MC445112 [0,2,0,0,0,0|1,0,0]=3 334 B7R1.4 O=C1NCCC1O CS19486 [0,2,0,0,0,0|0,0,1]=3 335 B7R1.4 O=C1NCCC1O MC115910 [0,2,0,0,0,0|0,0,1]=3 336 B7R1.4 O=C1NCCC1O MC444274 [0,2,0,0,0,0|0,0,1]=3 337 B7R1.4 OC1CNCC1O CS20186 [0,2,0,0,0,0|0,0,0]=2 338 B7R1.4 OC1CNCC1O MC103857 [0,2,0,0,0,0|0,0,0]=2 339 B7R1.14 CC1(C)NCCS1 CS22651 [0,2,0,0,0,0|1,0,0]=3 340 B7R1.14 CC1(O)CCCC1 CS20768 [0,2,0,0,0,0|1,0,0]=3 341 B7R1.14 CC1(O)CCNC1 MC107172 [0,2,0,0,0,0|0,0,0]=2 342 B7R1.14 FC1(F)CCNC1 CS16398 [0,2,0,0,0,0|0,0,0]=2 343 B5R1.3 BrCC1CC1 MC10481 [0,0,1,1,0,0|1,0,0]=3 344 B5R1.3 Br[Zn]C1CC1 MC121325 [0,0,1,1,0,0|2,0,0]=4 345 B5R1.3 CCC1CO1 MC20699 [0,0,1,1,0,0|1,0,0]=3 346 B5R1.3 CCC1CO1 MC428314 [0,0,1,1,0,0|1,0,0]=3 347 B5R1.3 CNC1CC1 CS13160 [0,0,1,1,0,0|0,0,0]=2 348 B5R1.3 ClCC1CC1 CS19956 [0,0,1,1,0,0|1,0,0]=3 349 B5R1.3 ClCC1CO1 MC20322 [0,0,1,1,0,0|2,0,0]=4 350 B5R1.3 ClCC1CO1 MC41680 [0,0,1,1,0,0|2,0,0]=4 351 B5R1.3 ICC1CO1 MC102795 [0,0,1,1,0,0|2,0,0]=4 352 B5R1.3 N#CC1CC1 MC41837 [0,0,1,1,0,0|0,0,2]=4 353 B5R1.3 NCC1CC1 CS18907 [0,0,1,1,0,0|0,0,0]=2 354 B5R1.3 NNC1CC1 CS15677 [0,0,1,1,0,0|1,0,0]=3 355 B5R1.3 NNC1CC1 CS18095 [0,0,1,1,0,0|1,0,0]=3 356 B5R1.3 O=CC1CC1 MC428327 [0,0,1,1,0,0|1,0,1]=4 357 B5R1.3 OCC1CC1 CS19620 [0,0,1,1,0,0|1,0,0]=3 358 B5R1.4 FC1CC1Br MC102831 [0,0,1,1,0,0|2,0,0]=4 359 B5R1.4 NC1CC1F MC102833 [0,0,1,1,0,0|1,0,0]=3 360 B5R1.4 NC1CC1F MC425321 [0,0,1,1,0,0|1,0,0]=3 361 B7R2.13 C1CC2CC2N1 MC105462 [0,0,0,1,0,1|0,0,0]=2 362 B7R2.13 C1CC2CC2N1 MC121378 [0,0,0,1,0,1|0,0,0]=2 363 B7R2.13 C1NCC2CC12 MC104429 [0,0,0,1,0,1|0,0,0]=2 364 B7R2.13 C1NCC2CC12 MC425327 [0,0,0,1,0,1|0,0,0]=2 365 B7R2.11 C1NC2CC1C2 MC102501 [0,1,0,1,0,0|0,0,0]=2 366 B7R1.24 C1CNCCNC1 MC31155 [0,0,0,0,0,2|0,0,0]=2 367 B7R1.24 C1CNCCOC1 CS17007 [0,0,0,0,0,2|0,0,0]=2