0 B6R1.2 BrC1CCNC1 CS15742 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 BrC1CCOC1 CS14643 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 CC1=CC=CS1 CS21701 [0,0,0,0,0,0|1,0,3]=4 3 B6R1.2 CC1=CN=CS1 CS10460 [0,0,0,0,0,0|2,0,2]=4 4 B6R1.2 CC1=NC=CS1 CS22598 [0,0,0,0,0,0|1,0,3]=4 5 B6R1.2 CC1=NCCC1 CS21664 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 CC1CCCN1 CS18299 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 CC1CCCN1 CS18800 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.2 CC1CCCN1 CS19735 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.2 CC1CCCN1 CS21699 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 CC1CCCN1 CS21700 [0,0,0,0,0,0|2,0,0]=2 11 B6R1.2 CC1CCCN1 MC428345 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.2 CC1CCCO1 MC20580 [0,0,0,0,0,0|1,1,0]=2 13 B6R1.2 FC1CCNC1 CS12894 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 FC1CCNC1 CS14870 [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 FC1CCNC1 MC31003 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 IC1CCOC1 MC101926 [0,0,0,0,0,0|4,0,0]=4 17 B6R1.2 NC1=NCCC1 CS19310 [0,0,0,0,0,0|3,0,1]=4 18 B6R1.2 NC1CCOC1 CS12010 [0,0,0,0,0,0|4,0,0]=4 19 B6R1.2 NC1CCOC1 CS13003 [0,0,0,0,0,0|4,0,0]=4 20 B6R1.2 NC1CCOC1 CS20366 [0,0,0,0,0,0|4,0,0]=4 21 B6R1.2 NC1CCOC1 MC443324 [0,0,0,0,0,0|4,0,0]=4 22 B6R1.2 NC1CCOC1 MC444237 [0,0,0,0,0,0|4,0,0]=4 23 B6R1.2 O=C1CCCC1 MC21085 [0,0,0,0,0,0|3,0,1]=4 24 B6R1.2 O=C1NCCN1 CS21607 [0,0,0,0,0,0|3,0,1]=4 25 B6R1.2 O=C1NCCS1 CS20525 [0,0,0,0,0,0|2,0,1]=3 26 B6R1.2 O=C1OCCO1 CS20012 [0,0,0,0,0,0|1,2,1]=4 27 B6R1.2 OC1CCNC1 CS16166 [0,0,0,0,0,0|4,0,0]=4 28 B6R1.2 OC1CCNC1 CS16635 [0,0,0,0,0,0|4,0,0]=4 29 B6R1.2 OC1CCNC1 CS16650 [0,0,0,0,0,0|4,0,0]=4 30 B6R1.2 OC1CCNC1 CS17407 [0,0,0,0,0,0|4,0,0]=4 31 B6R1.2 OC1CCNC1 CS21757 [0,0,0,0,0,0|4,0,0]=4 32 B6R1.2 OC1CCOC1 CS20284 [0,0,0,0,0,0|4,0,0]=4 33 B6R1.2 OC1CCOC1 MC42235 [0,0,0,0,0,0|4,0,0]=4 34 B6R1.2 OC1CCOC1 MC444279 [0,0,0,0,0,0|4,0,0]=4 35 B5R1.1 C1=CCNC1 MC10278 [1,0,0,0,0,0|2,0,1]=4 36 B5R1.1 C1CCNC1 MC41708 [1,0,0,0,0,0|2,0,0]=3 37 B5R1.1 C1CNNC1 CS16750 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 BrCC1CCCC1 MC20145 [0,1,0,0,0,0|2,0,0]=3 39 B7R1.1 BrCC1CCCN1 MC114648 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.1 BrCC1CCCO1 MC106365 [0,1,0,0,0,0|1,1,0]=3 41 B7R1.1 BrCC1OCCO1 CS21401 [0,1,0,0,0,0|0,2,0]=3 42 B7R1.1 Br[Zn]C1CCCC1 MC121342 [0,1,0,0,0,0|3,0,0]=4 43 B7R1.1 CCC1CCCN1 MC110951 [0,1,0,0,0,0|2,0,0]=3 44 B7R1.1 CNC1CCOC1 MC104966 [0,1,0,0,0,0|3,0,0]=4 45 B7R1.1 CNC1CCOC1 MC105597 [0,1,0,0,0,0|3,0,0]=4 46 B7R1.1 COC1=NCCC1 CS10423 [0,1,0,0,0,0|2,0,1]=4 47 B7R1.1 COC1CCCN1 MC41692 [0,1,0,0,0,0|2,0,0]=3 48 B7R1.1 COC1CCNC1 CS12136 [0,1,0,0,0,0|3,0,0]=4 49 B7R1.1 COC1CCNC1 CS12137 [0,1,0,0,0,0|3,0,0]=4 50 B7R1.1 COC1CCNC1 CS22350 [0,1,0,0,0,0|3,0,0]=4 51 B7R1.1 ClCC1=NCCN1 CS13610 [0,1,0,0,0,0|2,0,1]=4 52 B7R1.1 ClCC1OCCO1 MC428002 [0,1,0,0,0,0|0,2,0]=3 53 B7R1.1 FCC1CCCN1 MC100102 [0,1,0,0,0,0|2,0,0]=3 54 B7R1.1 FCC1CCNC1 MC103199 [0,1,0,0,0,0|3,0,0]=4 55 B7R1.1 N#CC1CCCC1 MC433761 [0,1,0,0,0,0|2,0,1]=4 56 B7R1.1 N#CC1CCCN1 MC104069 [0,1,0,0,0,0|2,0,1]=4 57 B7R1.1 NCC1CCCC1 CS14873 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.1 NCC1CCCN1 CS15469 [0,1,0,0,0,0|2,0,0]=3 59 B7R1.1 NCC1CCCN1 CS15745 [0,1,0,0,0,0|2,0,0]=3 60 B7R1.1 NCC1CCNC1 MC431426 [0,1,0,0,0,0|3,0,0]=4 61 B7R1.1 NCC1CCOC1 MC102307 [0,1,0,0,0,0|3,0,0]=4 62 B7R1.1 NCC1CCOC1 MC103862 [0,1,0,0,0,0|3,0,0]=4 63 B7R1.1 NCC1CCOC1 MC115675 [0,1,0,0,0,0|3,0,0]=4 64 B7R1.1 NCC1CCOC1 MC121256 [0,1,0,0,0,0|3,0,0]=4 65 B7R1.1 NNC1=NCCS1 MC117252 [0,1,0,0,0,0|2,0,1]=4 66 B7R1.1 O=CC1CCCC1 MC21048 [0,1,0,0,0,0|2,0,1]=4 67 B7R1.1 OCC1CCCC1 CS11185 [0,1,0,0,0,0|2,0,0]=3 68 B7R1.1 OCC1CCCN1 CS17003 [0,1,0,0,0,0|2,0,0]=3 69 B7R1.1 OCC1CCCN1 CS22640 [0,1,0,0,0,0|2,0,0]=3 70 B7R1.1 OCC1CCCO1 MC20392 [0,1,0,0,0,0|1,1,0]=3 71 B7R1.1 OCC1CCNC1 CS11284 [0,1,0,0,0,0|3,0,0]=4 72 B7R1.1 OCC1CCNC1 CS16764 [0,1,0,0,0,0|3,0,0]=4 73 B7R1.1 OCC1CCNC1 CS18341 [0,1,0,0,0,0|3,0,0]=4 74 B7R1.1 OCC1CCNC1 MC102405 [0,1,0,0,0,0|3,0,0]=4 75 B7R1.1 OCC1CCNC1 MC115660 [0,1,0,0,0,0|3,0,0]=4 76 B7R1.1 OCC1CCOC1 MC113000 [0,1,0,0,0,0|3,0,0]=4 77 B7R1.1 OCC1CCOC1 MC113001 [0,1,0,0,0,0|3,0,0]=4 78 B7R1.1 OCC1CCOC1 MC427704 [0,1,0,0,0,0|3,0,0]=4 79 B7R1.2 CC1=NC(C)CO1 MC428186 [0,1,0,0,0,0|1,1,1]=4 80 B7R1.2 CC1CCC(C)N1 MC102818 [0,1,0,0,0,0|2,0,0]=3 81 B7R1.2 CN1CCC(N)C1 MC444033 [0,1,0,0,0,0|3,0,0]=4 82 B7R1.2 CN1CCC(N)C1 MC444055 [0,1,0,0,0,0|3,0,0]=4 83 B7R1.2 CN1CCC(N)C1 MC444130 [0,1,0,0,0,0|3,0,0]=4 84 B7R1.2 CN1CCC(O)C1 MC20690 [0,1,0,0,0,0|3,0,0]=4 85 B7R1.2 CN1CCC(O)C1 MC444062 [0,1,0,0,0,0|3,0,0]=4 86 B7R1.2 CN1CCC(O)C1 MC444273 [0,1,0,0,0,0|3,0,0]=4 87 B7R1.2 NC1CCC(O)C1 CS12946 [0,1,0,0,0,0|3,0,0]=4 88 B7R1.2 NC1CCC(O)C1 CS14798 [0,1,0,0,0,0|3,0,0]=4 89 B7R1.2 NC1CCC(O)C1 CS15869 [0,1,0,0,0,0|3,0,0]=4 90 B7R1.2 NC1CCC(O)C1 CS16172 [0,1,0,0,0,0|3,0,0]=4 91 B7R1.4 CC1COCC1N MC444024 [0,1,0,0,0,0|3,0,0]=4 92 B7R1.4 CC1OCCC1=O CS14135 [0,1,0,0,0,0|1,1,0]=3 93 B7R1.4 CN1CCCC1=O MC41699 [0,1,0,0,0,0|3,0,0]=4 94 B7R1.4 NC1CCCC1O CS11147 [0,1,0,0,0,0|3,0,0]=4 95 B7R1.4 NC1CCCC1O CS15594 [0,1,0,0,0,0|3,0,0]=4 96 B7R1.4 NC1CCCC1O CS18884 [0,1,0,0,0,0|3,0,0]=4 97 B7R1.4 NC1CCCC1O CS19404 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.4 NC1CCSC1=O MC428331 [0,1,0,0,0,0|2,0,1]=4 99 B7R1.4 O=C1CCCC1Br MC445112 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.14 CC1(C)NCCS1 CS22651 [0,1,0,0,0,0|1,0,0]=2 101 B7R1.14 CC1(O)CCCC1 CS20768 [0,1,0,0,0,0|2,0,0]=3 102 B7R1.14 CC1(O)CCNC1 MC107172 [0,1,0,0,0,0|3,0,0]=4 103 B5R0.1 CC(C)SC#N MC41971 [0,0,1,0,0,0|2,0,1]=4 104 B5R0.1 CC(N)CCO CS14355 [0,0,1,0,0,0|3,0,0]=4 105 B5R0.1 CC(N)CCO CS14356 [0,0,1,0,0,0|3,0,0]=4 106 B5R0.1 CC(N)CCO CS22096 [0,0,1,0,0,0|3,0,0]=4 107 B5R0.1 CCCC(C)=O CS21731 [0,0,1,0,0,0|1,1,1]=4 108 B5R0.1 COCC(C)N CS15401 [0,0,1,0,0,0|3,0,0]=4 109 B5R0.1 COCC(C)O CS20249 [0,0,1,0,0,0|2,1,0]=4 110 B5R0.1 COCC(C)O CS20309 [0,0,1,0,0,0|2,1,0]=4 111 B5R0.1 COCC(C)O CS20741 [0,0,1,0,0,0|2,1,0]=4 112 B5R0.2 BrCCCCBr MC41885 [0,0,1,0,0,0|3,0,0]=4 113 B5R0.2 CCCCCBr CS20657 [0,0,1,0,0,0|2,0,0]=3 114 B5R0.2 CCCC[Zn]Br MC121334 [0,0,1,0,0,0|3,0,0]=4 115 B5R0.2 CCOCCBr CS21396 [0,0,1,0,0,0|1,1,0]=3 116 B5R0.2 CCOCCCl MC428008 [0,0,1,0,0,0|1,1,0]=3 117 B5R0.2 CNCCCO CS14200 [0,0,1,0,0,0|2,1,0]=4 118 B5R0.2 COCCCBr CS20649 [0,0,1,0,0,0|3,0,0]=4 119 B5R0.2 COCCCO CS20039 [0,0,1,0,0,0|2,1,0]=4 120 B5R0.2 NCCCCBr CS14979 [0,0,1,0,0,0|3,0,0]=4 121 B5R0.2 NCCCCN CS19906 [0,0,1,0,0,0|3,0,0]=4 122 B5R0.3 CCC(C)[Zn]Br MC121335 [0,0,1,0,0,0|3,0,0]=4 123 B5R0.3 COC(C)CN CS17733 [0,0,1,0,0,0|2,1,0]=4 124 B5R0.3 COC(C)CO CS12306 [0,0,1,0,0,0|2,1,0]=4 125 B7R2.11 C1NC2CC1C2 MC102501 [0,0,0,1,0,0|2,0,0]=3 126 B7R2.13 C1CC2CC2N1 MC105462 [0,0,0,1,0,0|2,0,0]=3 127 B7R2.13 C1CC2CC2N1 MC121378 [0,0,0,1,0,0|2,0,0]=3 128 B7R2.13 C1NCC2CC12 MC104429 [0,0,0,1,0,0|3,0,0]=4 129 B7R2.13 C1NCC2CC12 MC425327 [0,0,0,1,0,0|3,0,0]=4 130 B5R1.2 BrC1CNC1 MC444255 [0,0,0,0,1,0|3,0,0]=4 131 B5R1.2 BrC1COC1 MC425330 [0,0,0,0,1,0|3,0,0]=4 132 B5R1.2 CC1CNC1 CS13089 [0,0,0,0,1,0|2,0,0]=3 133 B5R1.2 ClC1CNC1 MC444320 [0,0,0,0,1,0|3,0,0]=4 134 B5R1.2 FC1CNC1 CS22297 [0,0,0,0,1,0|3,0,0]=4 135 B5R1.2 FC1COC1 MC113065 [0,0,0,0,1,0|3,0,0]=4 136 B5R1.2 IC1CNC1 MC444286 [0,0,0,0,1,0|3,0,0]=4 137 B5R1.2 IC1COC1 MC10503 [0,0,0,0,1,0|3,0,0]=4 138 B5R1.2 NC1COC1 CS22388 [0,0,0,0,1,0|3,0,0]=4 139 B5R1.2 NC1COC1 MC425332 [0,0,0,0,1,0|3,0,0]=4 140 B5R1.2 NC1CSC1 MC102176 [0,0,0,0,1,0|3,0,0]=4 141 B5R1.2 NC1CSC1 MC115657 [0,0,0,0,1,0|3,0,0]=4 142 B5R1.2 O=C1CCC1 MC10479 [0,0,0,0,1,0|2,0,1]=4 143 B5R1.2 O=C1CCN1 MC31231 [0,0,0,0,1,0|2,0,1]=4 144 B5R1.2 OC1CCC1 CS11176 [0,0,0,0,1,0|2,0,0]=3 145 B5R1.2 OC1CNC1 CS14687 [0,0,0,0,1,0|3,0,0]=4 146 B5R1.2 OC1COC1 CS19329 [0,0,0,0,1,0|3,0,0]=4 147 B5R1.2 SC1COC1 MC101966 [0,0,0,0,1,0|3,0,0]=4 148 B7R1.3 BrC1CCCCC1 CS11079 [0,0,0,0,0,1|3,0,0]=4 149 B7R1.3 BrC1CCNCC1 CS18356 [0,0,0,0,0,1|3,0,0]=4 150 B7R1.3 BrC1CCOCC1 CS18193 [0,0,0,0,0,1|3,0,0]=4 151 B7R1.3 CC1CCCCN1 MC20418 [0,0,0,0,0,1|2,0,0]=3 152 B7R1.3 CC1CCCNC1 CS16133 [0,0,0,0,0,1|2,0,0]=3 153 B7R1.3 CC1CCCNC1 MC425227 [0,0,0,0,0,1|2,0,0]=3 154 B7R1.3 CC1CNCCN1 CS13503 [0,0,0,0,0,1|2,0,0]=3 155 B7R1.3 CC1CNCCN1 CS17164 [0,0,0,0,0,1|2,0,0]=3 156 B7R1.3 CC1CNCCN1 CS17167 [0,0,0,0,0,1|2,0,0]=3 157 B7R1.3 CC1CNCCO1 CS14515 [0,0,0,0,0,1|1,1,0]=3 158 B7R1.3 CC1CNCCO1 CS14521 [0,0,0,0,0,1|1,1,0]=3 159 B7R1.3 CC1CNCCO1 CS19299 [0,0,0,0,0,1|1,1,0]=3 160 B7R1.3 CC1CNCCO1 CS21692 [0,0,0,0,0,1|1,1,0]=3 161 B7R1.3 CC1CNCCO1 MC444038 [0,0,0,0,0,1|1,1,0]=3 162 B7R1.3 CC1CNCCO1 MC444192 [0,0,0,0,0,1|1,1,0]=3 163 B7R1.3 CC1COCCN1 CS14856 [0,0,0,0,0,1|1,1,0]=3 164 B7R1.3 CC1COCCN1 CS20285 [0,0,0,0,0,1|1,1,0]=3 165 B7R1.3 CC1COCCN1 CS22371 [0,0,0,0,0,1|1,1,0]=3 166 B7R1.3 CC1COCCN1 CS22413 [0,0,0,0,0,1|1,1,0]=3 167 B7R1.3 CC1COCCN1 MC20820 [0,0,0,0,0,1|1,1,0]=3 168 B7R1.3 CN1CCNCC1 MC20458 [0,0,0,0,0,1|3,0,0]=4 169 B7R1.3 ClC1CCNCC1 CS16938 [0,0,0,0,0,1|3,0,0]=4 170 B7R1.3 FC1CCCNC1 MC101908 [0,0,0,0,0,1|3,0,0]=4 171 B7R1.3 FC1CCCNC1 MC101918 [0,0,0,0,0,1|3,0,0]=4 172 B7R1.3 FC1CCCNC1 MC444270 [0,0,0,0,0,1|3,0,0]=4 173 B7R1.3 FC1CCNCC1 CS22845 [0,0,0,0,0,1|3,0,0]=4 174 B7R1.3 IC1CCOCC1 CS18194 [0,0,0,0,0,1|3,0,0]=4 175 B7R1.3 NC1CCCNC1 CS17178 [0,0,0,0,0,1|3,0,0]=4 176 B7R1.3 NC1CCCNC1 CS17182 [0,0,0,0,0,1|3,0,0]=4 177 B7R1.3 NC1CCCNC1 CS22655 [0,0,0,0,0,1|3,0,0]=4 178 B7R1.3 NC1CCOCC1 CS16997 [0,0,0,0,0,1|3,0,0]=4 179 B7R1.3 NC1CCOCC1 CS18985 [0,0,0,0,0,1|3,0,0]=4 180 B7R1.3 OC1CCCNC1 CS17016 [0,0,0,0,0,1|3,0,0]=4 181 B7R1.3 OC1CCCNC1 CS17020 [0,0,0,0,0,1|3,0,0]=4 182 B7R1.3 OC1CCCNC1 CS22642 [0,0,0,0,0,1|3,0,0]=4 183 B7R1.3 OC1CCCOC1 CS17782 [0,0,0,0,0,1|2,1,0]=4 184 B7R1.3 OC1CCNCC1 CS14900 [0,0,0,0,0,1|3,0,0]=4 185 B7R1.3 OC1CCNCC1 CS22643 [0,0,0,0,0,1|3,0,0]=4 186 B7R1.3 OC1CCOCC1 CS13929 [0,0,0,0,0,1|3,0,0]=4 187 B7R1.3 OC1CCSCC1 CS12012 [0,0,0,0,0,1|3,0,0]=4 188 B7R1.3 SC1CCCNC1 MC105166 [0,0,0,0,0,1|3,0,0]=4 189 B7R1.3 SC1CCOCC1 MC107026 [0,0,0,0,0,1|3,0,0]=4 190 B4R0.1 CC(C)C#N MC41920 [1,0,1,0,0,0|2,0,0]=4 191 B4R0.1 CC(C)NN CS11525 [1,0,1,0,0,0|2,0,0]=4 192 B4R0.1 CC(C)ON CS13668 [1,0,1,0,0,0|1,1,0]=4 193 B4R0.1 CC(C)[Zn]Br MC121350 [1,0,1,0,0,0|2,0,0]=4 194 B4R0.1 CC(Cl)CO CS20251 [1,0,1,0,0,0|2,0,0]=4 195 B4R0.1 CC(Cl)CO MC428270 [1,0,1,0,0,0|2,0,0]=4 196 B4R0.1 CC(N)CN CS20323 [1,0,1,0,0,0|2,0,0]=4 197 B4R0.1 CC(N)CN MC10147 [1,0,1,0,0,0|2,0,0]=4 198 B4R0.1 CC(N)CO CS14182 [1,0,1,0,0,0|2,0,0]=4 199 B4R0.1 CC(N)CO CS19476 [1,0,1,0,0,0|2,0,0]=4 200 B4R0.1 CC(N)CO CS21310 [1,0,1,0,0,0|2,0,0]=4 201 B4R0.1 CC(O)CCl MC20696 [1,0,1,0,0,0|1,1,0]=4 202 B4R0.1 CC(O)CCl MC20697 [1,0,1,0,0,0|1,1,0]=4 203 B4R0.1 CC(O)CN CS14075 [1,0,1,0,0,0|1,1,0]=4 204 B4R0.1 CC(O)CO MC20330 [1,0,1,0,0,0|1,1,0]=4 205 B4R0.1 CCC(C)O MC10786 [1,0,1,0,0,0|0,1,0]=3 206 B4R0.2 CCCC=O MC41868 [1,0,1,0,0,0|0,1,1]=4 207 B4R0.2 CCCCO MC41869 [1,0,1,0,0,0|0,1,0]=3 208 B4R0.2 CCC[Zn]Br MC121348 [1,0,1,0,0,0|2,0,0]=4 209 B4R0.2 CCNCC CS11240 [1,0,1,0,0,0|1,0,0]=3 210 B4R0.2 CCOCC MC41960 [1,0,1,0,0,0|0,1,0]=3 211 B4R0.2 CC[Zn]CC MC10752 [1,0,1,0,0,0|1,0,0]=3 212 B4R0.2 CNCCO CS20910 [1,0,1,0,0,0|1,1,0]=4 213 B4R0.2 COCCCl MC428007 [1,0,1,0,0,0|1,1,0]=4 214 B4R0.2 ClCCCBr MC41861 [1,0,1,0,0,0|2,0,0]=4 215 B4R0.2 NCCCBr CS22190 [1,0,1,0,0,0|2,0,0]=4 216 B4R0.2 NCCCS MC428180 [1,0,1,0,0,0|1,0,0]=3 217 B4R0.2 [NH3+]CCCS MC428140 [1,0,1,0,0,0|1,0,0]=3 218 B6R0.1 CCCC(C)CBr MC112368 [0,1,1,0,0,0|2,0,0]=4 219 B6R0.1 CCCC(O)CO CS20495 [0,1,1,0,0,0|1,1,0]=4 220 B6R0.2 CC(C)PC(C)C MC444830 [0,1,1,0,0,0|2,0,0]=4 221 B6R0.4 CC(C)CCCO MC428025 [0,1,1,0,0,0|2,0,0]=4 222 B6R0.4 CC(C)NCCN MC20461 [0,1,1,0,0,0|2,0,0]=4 223 B6R0.6 BrCCCCCBr MC41886 [0,1,1,0,0,0|2,0,0]=4 224 B6R0.6 BrCCNCCBr CS11032 [0,1,1,0,0,0|2,0,0]=4 225 B6R0.6 CCCOCCCl MC428009 [0,1,1,0,0,0|1,1,0]=4 226 B6R0.6 COCCCCBr CS22933 [0,1,1,0,0,0|2,0,0]=4 227 B6R0.6 COCCCCCl MC428014 [0,1,1,0,0,0|2,0,0]=4 228 B6R0.6 ClCCNCCCl CS16038 [0,1,1,0,0,0|2,0,0]=4 229 B6R0.6 ClCCOCCCl MC41873 [0,1,1,0,0,0|1,1,0]=4 230 B6R0.6 FCCCCCBr CS14708 [0,1,1,0,0,0|2,0,0]=4 231 B6R0.6 NCCCCCN CS19074 [0,1,1,0,0,0|2,0,0]=4 232 B6R0.6 OCCCCCCl CS14778 [0,1,1,0,0,0|1,1,0]=4 233 B6R0.6 OCCCCCO CS20549 [0,1,1,0,0,0|1,1,0]=4 234 B6R0.6 OCCOCCO MC41893 [0,1,1,0,0,0|0,2,0]=4 235 B6R0.6 SCCOCCS MC112783 [0,1,1,0,0,0|0,1,0]=3 236 B6R0.9 COC(CBr)OC MC428001 [0,1,1,0,0,0|0,2,0]=4 237 B6R0.9 COC(CCl)OC MC428004 [0,1,1,0,0,0|0,2,0]=4 238 B6R0.9 COC(CN)OC MC428005 [0,1,1,0,0,0|0,2,0]=4 239 B6R0.9 COC(OC)OC MC41951 [0,1,1,0,0,0|0,2,0]=4 240 B6R1.4 CC1COC1=O MC121237 [0,1,0,0,1,0|2,0,0]=4 241 B6R1.4 NC1CCC1O MC111877 [0,1,0,0,1,0|2,0,0]=4 242 B6R1.5 CC1CC(N)C1 MC105778 [0,1,0,0,1,0|1,0,0]=3 243 B6R1.5 CN1CC(N)C1 MC444125 [0,1,0,0,1,0|2,0,0]=4 244 B6R1.5 CN1CC(O)C1 MC444271 [0,1,0,0,1,0|2,0,0]=4 245 B6R1.5 CN1CC(O)C1 MC444272 [0,1,0,0,1,0|2,0,0]=4 246 B6R1.5 NC1CC(F)C1 MC101921 [0,1,0,0,1,0|2,0,0]=4 247 B6R1.5 NC1CC(F)C1 MC104866 [0,1,0,0,1,0|2,0,0]=4 248 B6R1.5 NC1CC(F)C1 MC104867 [0,1,0,0,1,0|2,0,0]=4 249 B6R1.5 NC1CC(F)C1 MC112996 [0,1,0,0,1,0|2,0,0]=4 250 B6R1.5 NC1CC(F)C1 MC115644 [0,1,0,0,1,0|2,0,0]=4 251 B6R1.5 NC1CC(F)C1 MC444599 [0,1,0,0,1,0|2,0,0]=4 252 B6R1.5 NC1CC(N)C1 MC103595 [0,1,0,0,1,0|2,0,0]=4 253 B6R1.5 NC1CC(N)C1 MC103596 [0,1,0,0,1,0|2,0,0]=4 254 B6R1.5 NC1CC(N)C1 MC103597 [0,1,0,0,1,0|2,0,0]=4 255 B6R1.5 NC1CC(N)C1 MC103598 [0,1,0,0,1,0|2,0,0]=4 256 B6R1.5 NC1CC(N)C1 MC104654 [0,1,0,0,1,0|2,0,0]=4 257 B6R1.5 NC1CC(O)C1 MC105248 [0,1,0,0,1,0|2,0,0]=4 258 B6R1.5 NC1CC(O)C1 MC105286 [0,1,0,0,1,0|2,0,0]=4 259 B6R1.5 NC1CC(O)C1 MC444231 [0,1,0,0,1,0|2,0,0]=4 260 B6R1.5 NC1CC(O)C1 MC444480 [0,1,0,0,1,0|2,0,0]=4 261 B6R1.5 NC1CC(O)C1 MC444598 [0,1,0,0,1,0|2,0,0]=4 262 B6R1.5 OC1CC(F)C1 MC103711 [0,1,0,0,1,0|2,0,0]=4 263 B6R1.5 OC1CC(F)C1 MC104375 [0,1,0,0,1,0|2,0,0]=4 264 B6R1.5 OC1CC(F)C1 MC104868 [0,1,0,0,1,0|2,0,0]=4 265 B6R1.6 BrCC1CCC1 MC10470 [0,1,0,0,1,0|1,0,0]=3 266 B6R1.6 BrCC1CCO1 MC444177 [0,1,0,0,1,0|0,1,0]=3 267 B6R1.6 CNC1CNC1 MC444567 [0,1,0,0,1,0|2,0,0]=4 268 B6R1.6 CNC1COC1 MC425340 [0,1,0,0,1,0|2,0,0]=4 269 B6R1.6 CNC1COC1 MC444120 [0,1,0,0,1,0|2,0,0]=4 270 B6R1.6 COC1CNC1 CS17370 [0,1,0,0,1,0|2,0,0]=4 271 B6R1.6 Cl[Zn]C1CCC1 MC121327 [0,1,0,0,1,0|2,0,0]=4 272 B6R1.6 ICC1COC1 MC101907 [0,1,0,0,1,0|2,0,0]=4 273 B6R1.6 NCC1CCC1 CS11178 [0,1,0,0,1,0|1,0,0]=3 274 B6R1.6 NCC1CCN1 MC121273 [0,1,0,0,1,0|1,0,0]=3 275 B6R1.6 NCC1CCO1 MC121118 [0,1,0,0,1,0|0,1,0]=3 276 B6R1.6 NCC1CNC1 MC105370 [0,1,0,0,1,0|2,0,0]=4 277 B6R1.6 NCC1COC1 MC10517 [0,1,0,0,1,0|2,0,0]=4 278 B6R1.6 NCC1CSC1 MC121257 [0,1,0,0,1,0|2,0,0]=4 279 B6R1.6 NNC1CCC1 MC111229 [0,1,0,0,1,0|2,0,0]=4 280 B6R1.6 OCC1CCN1 CS15230 [0,1,0,0,1,0|1,0,0]=3 281 B6R1.6 OCC1CCN1 MC102029 [0,1,0,0,1,0|1,0,0]=3 282 B6R1.6 OCC1CCN1 MC102030 [0,1,0,0,1,0|1,0,0]=3 283 B6R1.6 OCC1CCO1 CS15009 [0,1,0,0,1,0|0,1,0]=3 284 B6R1.6 OCC1CNC1 CS12891 [0,1,0,0,1,0|2,0,0]=4 285 B6R1.6 OCC1CNC1 MC444028 [0,1,0,0,1,0|2,0,0]=4 286 B6R1.6 OCC1COC1 CS14670 [0,1,0,0,1,0|2,0,0]=4 287 B6R1.10 CC1(F)CNC1 MC102153 [0,1,0,0,1,0|2,0,0]=4 288 B6R1.10 CC1(N)COC1 CS14859 [0,1,0,0,1,0|2,0,0]=4 289 B6R1.10 CC1(N)COC1 MC444292 [0,1,0,0,1,0|2,0,0]=4 290 B6R1.10 CC1(N)CSC1 MC113158 [0,1,0,0,1,0|2,0,0]=4 291 B6R1.10 CC1(O)CNC1 CS15502 [0,1,0,0,1,0|2,0,0]=4 292 B8R1.2 BrCC1CCCCC1 CS19887 [0,1,0,0,0,1|2,0,0]=4 293 B8R1.2 BrCC1CCCOC1 MC102393 [0,1,0,0,0,1|1,1,0]=4 294 B8R1.2 CCC1CNCCN1 MC31046 [0,1,0,0,0,1|2,0,0]=4 295 B8R1.2 CCC1CNCCN1 MC31080 [0,1,0,0,0,1|2,0,0]=4 296 B8R1.2 CCC1CNCCO1 MC444035 [0,1,0,0,0,1|1,1,0]=4 297 B8R1.2 CCC1CNCCO1 MC444058 [0,1,0,0,0,1|1,1,0]=4 298 B8R1.2 CCC1CNCCO1 MC444187 [0,1,0,0,0,1|1,1,0]=4 299 B8R1.2 CCC1COCCN1 MC20812 [0,1,0,0,0,1|1,1,0]=4 300 B8R1.2 CCC1COCCN1 MC444040 [0,1,0,0,0,1|1,1,0]=4 301 B8R1.2 CCC1COCCN1 MC444061 [0,1,0,0,0,1|1,1,0]=4 302 B8R1.2 CCC1COCCN1 MC444269 [0,1,0,0,0,1|1,1,0]=4 303 B8R1.2 CNC1CCCNC1 CS22823 [0,1,0,0,0,1|2,0,0]=4 304 B8R1.2 CNC1CCOCC1 CS15192 [0,1,0,0,0,1|2,0,0]=4 305 B8R1.2 COC1CCCNC1 MC31194 [0,1,0,0,0,1|2,0,0]=4 306 B8R1.2 COC1CCCNC1 MC444290 [0,1,0,0,0,1|2,0,0]=4 307 B8R1.2 COC1CCNCC1 MC444354 [0,1,0,0,0,1|2,0,0]=4 308 B8R1.2 CSC1CCNCC1 MC444359 [0,1,0,0,0,1|2,0,0]=4 309 B8R1.2 ClCC1CNCCO1 MC106711 [0,1,0,0,0,1|1,1,0]=4 310 B8R1.2 ICC1CCOCC1 MC31010 [0,1,0,0,0,1|2,0,0]=4 311 B8R1.2 NCC1CCCCC1 MC20908 [0,1,0,0,0,1|2,0,0]=4 312 B8R1.2 NCC1CCCCN1 CS22822 [0,1,0,0,0,1|2,0,0]=4 313 B8R1.2 NCC1CCCOC1 CS18439 [0,1,0,0,0,1|1,1,0]=4 314 B8R1.2 NCC1CCCOC1 MC105501 [0,1,0,0,0,1|1,1,0]=4 315 B8R1.2 NCC1CCCOC1 MC105502 [0,1,0,0,0,1|1,1,0]=4 316 B8R1.2 NCC1CCOCC1 CS18584 [0,1,0,0,0,1|2,0,0]=4 317 B8R1.2 NCC1CCSCC1 MC102976 [0,1,0,0,0,1|2,0,0]=4 318 B8R1.2 NCC1CCSCC1 MC111187 [0,1,0,0,0,1|2,0,0]=4 319 B8R1.2 NCC1COCCO1 MC444012 [0,1,0,0,0,1|0,2,0]=4 320 B8R1.2 NCC1COCCO1 MC444016 [0,1,0,0,0,1|0,2,0]=4 321 B8R1.2 OCC1CCCCC1 MC20144 [0,1,0,0,0,1|2,0,0]=4 322 B8R1.2 OCC1CCCCN1 CS21780 [0,1,0,0,0,1|2,0,0]=4 323 B8R1.2 OCC1CCCNC1 CS15958 [0,1,0,0,0,1|2,0,0]=4 324 B8R1.2 OCC1CCCNC1 CS22817 [0,1,0,0,0,1|2,0,0]=4 325 B8R1.2 OCC1CCCOC1 MC31058 [0,1,0,0,0,1|1,1,0]=4 326 B8R1.2 OCC1CCNCC1 CS22819 [0,1,0,0,0,1|2,0,0]=4 327 B8R1.2 OCC1CCOCC1 CS18741 [0,1,0,0,0,1|2,0,0]=4 328 B8R1.2 OCC1CNCCO1 CS14518 [0,1,0,0,0,1|1,1,0]=4 329 B8R1.2 OCC1CNCCO1 CS15145 [0,1,0,0,0,1|1,1,0]=4 330 B8R1.2 OCC1CNCCO1 CS15312 [0,1,0,0,0,1|1,1,0]=4 331 B8R1.2 OCC1COCCN1 CS15269 [0,1,0,0,0,1|1,1,0]=4 332 B8R1.2 OCC1COCCN1 CS15280 [0,1,0,0,0,1|1,1,0]=4 333 B8R1.2 OCC1COCCN1 MC106628 [0,1,0,0,0,1|1,1,0]=4 334 B8R1.2 OCC1COCCN1 MC115923 [0,1,0,0,0,1|1,1,0]=4 335 B8R1.2 OCC1COCCN1 MC444278 [0,1,0,0,0,1|1,1,0]=4 336 B8R1.2 OCC1COCCO1 MC107175 [0,1,0,0,0,1|0,2,0]=4 337 B8R1.2 OCC1COCCO1 MC107176 [0,1,0,0,0,1|0,2,0]=4 338 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,1,0,0,0,1|2,0,0]=4 339 B8R1.3 CC1CNC(C)CN1 CS14078 [0,1,0,0,0,1|2,0,0]=4 340 B8R1.3 CC1CNC(C)CN1 MC103638 [0,1,0,0,0,1|2,0,0]=4 341 B8R1.3 CC1COC(C)CN1 MC107001 [0,1,0,0,0,1|1,1,0]=4 342 B8R1.3 CC1COC(C)CN1 MC107002 [0,1,0,0,0,1|1,1,0]=4 343 B8R1.3 OC1CSC(O)CS1 MC41677 [0,1,0,0,0,1|1,0,0]=3 344 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,1,0,0,0,1|2,0,0]=4 345 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,1,0,0,0,1|2,0,0]=4 346 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,1,0,0,0,1|2,0,0]=4 347 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,1,0,0,0,1|1,1,0]=4 348 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,1,0,0,0,1|1,1,0]=4 349 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,1,0,0,0,1|1,1,0]=4 350 B8R1.4 CC1CC(O)CCN1 MC102122 [0,1,0,0,0,1|2,0,0]=4 351 B8R1.4 CC1CC(O)CCN1 MC102123 [0,1,0,0,0,1|2,0,0]=4 352 B8R1.4 CC1CC(O)CCN1 MC102289 [0,1,0,0,0,1|2,0,0]=4 353 B8R1.4 CC1CC(O)CCO1 MC31218 [0,1,0,0,0,1|1,1,0]=4 354 B8R1.4 CC1CCNC(C)C1 CS21125 [0,1,0,0,0,1|2,0,0]=4 355 B8R1.4 CC1CN(C)CCN1 MC102815 [0,1,0,0,0,1|2,0,0]=4 356 B8R1.4 CC1CNCC(C)C1 CS14191 [0,1,0,0,0,1|2,0,0]=4 357 B8R1.4 CC1CNCC(C)N1 CS18625 [0,1,0,0,0,1|2,0,0]=4 358 B8R1.4 CC1CNCC(C)N1 CS21187 [0,1,0,0,0,1|2,0,0]=4 359 B8R1.4 CC1CNCC(C)N1 MC103637 [0,1,0,0,0,1|2,0,0]=4 360 B8R1.4 CC1CNCC(C)N1 MC104476 [0,1,0,0,0,1|2,0,0]=4 361 B8R1.4 CC1CNCC(C)N1 MC444588 [0,1,0,0,0,1|2,0,0]=4 362 B8R1.4 CC1CNCC(C)O1 MC121304 [0,1,0,0,0,1|1,1,0]=4 363 B8R1.4 CC1CNCC(C)O1 MC428243 [0,1,0,0,0,1|1,1,0]=4 364 B8R1.4 CC1CNCC(C)O1 MC444593 [0,1,0,0,0,1|1,1,0]=4 365 B8R1.4 CC1COCC(C)N1 MC103641 [0,1,0,0,0,1|1,1,0]=4 366 B8R1.4 CC1COCC(C)N1 MC104538 [0,1,0,0,0,1|1,1,0]=4 367 B8R1.4 CC1COCC(C)N1 MC105667 [0,1,0,0,0,1|1,1,0]=4 368 B8R1.4 CC1COCC(C)N1 MC105668 [0,1,0,0,0,1|1,1,0]=4 369 B8R1.4 CC1COCC(C)N1 MC113396 [0,1,0,0,0,1|1,1,0]=4 370 B8R1.5 CC1CCNCC1=O MC105562 [0,1,0,0,0,1|2,0,0]=4 371 B8R1.5 CC1CCNCC1O MC103744 [0,1,0,0,0,1|2,0,0]=4 372 B8R1.5 CC1CCNCC1O MC103745 [0,1,0,0,0,1|2,0,0]=4 373 B8R1.5 CC1CCNCC1O MC105563 [0,1,0,0,0,1|2,0,0]=4 374 B8R1.5 CC1CCNCC1O MC105564 [0,1,0,0,0,1|2,0,0]=4 375 B8R1.5 CC1CCNCC1O MC444275 [0,1,0,0,0,1|2,0,0]=4 376 B8R1.5 CC1CNCCC1=O MC106748 [0,1,0,0,0,1|2,0,0]=4 377 B8R1.5 CC1CNCCN1C MC444011 [0,1,0,0,0,1|2,0,0]=4 378 B8R1.5 CC1CNCCN1C MC444015 [0,1,0,0,0,1|2,0,0]=4 379 B8R1.5 CC1COCCC1=O MC425868 [0,1,0,0,0,1|1,1,0]=4 380 B8R1.5 CC1COCCC1N MC100869 [0,1,0,0,0,1|1,1,0]=4 381 B8R1.5 CC1COCCC1N MC104730 [0,1,0,0,0,1|1,1,0]=4 382 B8R1.72 CC1(C)CCNCC1 CS13819 [0,1,0,0,0,1|2,0,0]=4 383 B8R1.72 CC1(C)CNCCN1 CS18507 [0,1,0,0,0,1|2,0,0]=4 384 B8R1.72 CC1(C)CNCCO1 MC100077 [0,1,0,0,0,1|1,1,0]=4 385 B8R1.72 CC1(C)COCCN1 CS21909 [0,1,0,0,0,1|1,1,0]=4 386 B8R1.72 CC1(N)CCOCC1 CS14346 [0,1,0,0,0,1|2,0,0]=4 387 B8R1.72 CC1(N)CCOCC1 MC106879 [0,1,0,0,0,1|2,0,0]=4 388 B8R1.72 CC1(O)CCCNC1 MC444294 [0,1,0,0,0,1|2,0,0]=4 389 B8R1.72 CC1(O)CCNCC1 MC443374 [0,1,0,0,0,1|2,0,0]=4 390 B8R1.72 CC1(O)CCOCC1 CS12641 [0,1,0,0,0,1|2,0,0]=4 391 B8R1.1 OCC1CC(O)CN1 CS20184 [0,2,0,0,0,0|2,0,0]=4 392 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,2,0,0,0,0|2,0,0]=4 393 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,2,0,0,0,0|2,0,0]=4 394 B8R1.7 O=C(O)C1NCCS1 CS16514 [0,2,0,0,0,0|1,0,1]=4 395 B8R1.8 BrCCC1OCCO1 CS18251 [0,2,0,0,0,0|0,2,0]=4 396 B8R1.8 Br[Zn]CC1OCCO1 MC121331 [0,2,0,0,0,0|0,2,0]=4 397 B8R1.8 COCC1CCCN1 CS20310 [0,2,0,0,0,0|2,0,0]=4 398 B8R1.8 ICCC1CCCC1 MC106254 [0,2,0,0,0,0|2,0,0]=4 399 B8R1.8 NCCC1CCCC1 CS15909 [0,2,0,0,0,0|2,0,0]=4 400 B8R1.8 OCCC1CCCN1 MC103847 [0,2,0,0,0,0|2,0,0]=4 401 B8R1.8 OCCC1CCCN1 MC106622 [0,2,0,0,0,0|2,0,0]=4 402 B8R1.11 CN1CCCC1CN MC444032 [0,2,0,0,0,0|2,0,0]=4 403 B8R1.11 CN1CCCC1CN MC444049 [0,2,0,0,0,0|2,0,0]=4 404 B8R1.11 CN1CCCC1CO CS14186 [0,2,0,0,0,0|2,0,0]=4 405 B8R1.11 CN1CCCC1CO CS22816 [0,2,0,0,0,0|2,0,0]=4 406 B8R1.52 NCC1(O)CCCC1 CS15390 [0,2,0,0,0,0|2,0,0]=4 407 B8R1.52 NCC1(O)CCCC1 MC31148 [0,2,0,0,0,0|2,0,0]=4 408 B8R1.52 OCC1(F)CCCC1 MC443810 [0,2,0,0,0,0|2,0,0]=4 409 B8R1.18 CC1CC(S)C(C)O1 MC115503 [0,2,0,0,0,0|1,1,0]=4 410 B8R1.50 CC1C(=O)CCC1=O CS21655 [0,2,0,0,0,0|2,0,0]=4 411 B8R1.51 CC1(O)CCC(N)C1 MC104923 [0,2,0,0,0,0|2,0,0]=4 412 B6R1.11 CC(I)C1CC1 MC429998 [0,0,1,1,0,0|2,0,0]=4 413 B6R1.11 CC(N)C1CC1 MC428207 [0,0,1,1,0,0|2,0,0]=4 414 B6R1.1 C1=CCSCC1 MC427366 [0,0,1,1,0,0|1,0,1]=4 415 B6R1.1 C1CCCCC1 MC41853 [0,0,1,1,0,0|2,0,0]=4 416 B6R1.1 C1CC[NH2+]CC1 CS16333 [0,0,1,1,0,0|2,0,0]=4 417 B6R1.1 C1CNCCN1 MC41703 [0,0,1,1,0,0|2,0,0]=4 418 B6R1.1 C1COCCN1 MC20726 [0,0,1,1,0,0|1,1,0]=4 419 B6R1.1 C1CSCCN1 MC20759 [0,0,1,1,0,0|1,0,0]=3 420 B8R2.23 C1NCC2CC1C2 MC115688 [0,0,0,1,0,1|2,0,0]=4 421 B8R2.23 C1NCC2CC1O2 MC102903 [0,0,0,1,0,1|1,1,0]=4 422 B8R2.23 C1OCC2CC1N2 MC116488 [0,0,0,1,0,1|1,1,0]=4 423 B8R2.25 C1CC2CC2CN1 MC105241 [0,0,0,1,0,1|2,0,0]=4 424 B8R2.25 C1COC2CC2N1 MC106168 [0,0,0,1,0,1|1,1,0]=4 425 B8R2.34 C1=CC2CCC1C2 CS11805 [0,0,0,1,0,1|2,0,0]=4 426 B8R2.34 C1OC2CNC1C2 CS12565 [0,0,0,1,0,1|1,1,0]=4 427 B8R2.34 C1OC2CNC1C2 MC102221 [0,0,0,1,0,1|1,1,0]=4 428 B8R2.34 C1OC2CNC1C2 MC103903 [0,0,0,1,0,1|1,1,0]=4 429 B8R2.34 C1OC2CNC1C2 MC105588 [0,0,0,1,0,1|1,1,0]=4 430 B8R2.34 C1OC2CNC1C2 MC31167 [0,0,0,1,0,1|1,1,0]=4 431 B8R2.34 C1OC2CNC1C2 MC444007 [0,0,0,1,0,1|1,1,0]=4 432 B8R2.55 C1CNC2(C1)CC2 MC103449 [0,1,0,1,0,0|2,0,0]=4 433 B4R1.1 C1CNC1 CS14211 [1,0,0,0,1,0|1,0,0]=3 434 B4R1.1 C1CNC1 MC445038 [1,0,0,0,1,0|1,0,0]=3 435 B4R1.2 BrC1CC1 CS19063 [0,0,0,0,2,0|1,0,0]=3 436 B4R1.2 CC1=CC1 MC20873 [0,0,0,0,2,0|0,0,2]=4 437 B4R1.2 CC1CO1 MC428272 [0,0,0,0,2,0|0,1,0]=3 438 B4R1.2 OC1CC1 MC443565 [0,0,0,0,2,0|1,0,0]=3 439 B8R1.22 CC1CCNCCN1 MC104490 [0,0,0,0,0,2|2,0,0]=4