0 B6R0.6 BrCCCCCBr MC41886 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 BrCCNCCBr CS11032 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.6 C#CCCCCO MC424004 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C=CCCCCCl MC427568 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 C=CCCCCN MC111853 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.6 C=CCCCCO CS10397 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 C=COCCCN MC41859 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 CCCOCCCl MC428009 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.6 COCCCCBr CS22933 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.6 COCCCCCl MC428014 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.6 ClCCNCCCl CS16038 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.6 ClCCOCCCl MC41873 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.6 FCCCCCBr CS14708 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.6 FCCCC[Mg]Br MC116032 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.6 N#CCCCCCl CS10359 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.6 NCCCCCN CS19074 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.6 OCCCCCCl CS14778 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.6 OCCCCCO CS20549 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.6 OCCOCCO MC41893 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.6 SCCOCCS MC112783 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.2 BrCCCCBr MC41885 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.2 C=CCCON MC110761 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.2 CCCCCBr CS20657 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.2 CCCC[Zn]Br MC121334 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.2 CCOCCBr CS21396 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.2 CCOCCCl MC428008 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.2 CNCCCO CS14200 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.2 COCCCBr CS20649 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.2 COCCCO CS20039 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.2 COCCNN MC103229 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.2 COCCNN MC107041 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.2 N#CCCCBr MC433750 [1,0,0,0,0,0|1,0,2]=4 32 B5R0.2 NCC#CCCl MC436177 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.2 NCCCCBr CS14979 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.2 NCCCCN CS19906 [1,0,0,0,0,0|0,0,0]=1 35 B7R0.1 BrCCCCCCBr CS20550 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.1 C#CCCCCCO CS10705 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.1 C=CCCCCCBr CS19607 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.1 COCCOCCN MC431493 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.1 N#CCCCCCBr MC41862 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.1 NCCCNCCBr CS13982 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.1 NCCSSCCN CS11190 [0,1,0,0,0,0|1,0,0]=2 42 B7R0.1 NCC[Se][Se]CCN MC435603 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.1 OCCCCCCBr CS14335 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.3 CCC(O)CCCO MC116029 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.4 CC(O)CCCCO MC112436 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.4 CCCCCC(C)O CS21570 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.4 COCCCC(C)N MC112163 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.4 NCCCCC(=O)O MC428108 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.4 NCCNCC(=O)O MC436179 [0,1,0,0,0,0|1,0,1]=3 50 B7R0.7 CCCC(N)CCO CS16692 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.7 CCOC(=O)CCN CS14330 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.7 CN(CCCl)CCCl CS11572 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.7 O=C(CCCl)CCCl CS19912 [0,1,0,0,0,0|3,0,0]=4 54 B7R1.1 BrCC1CCCC1 MC20145 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.1 BrCC1CCCN1 MC114648 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.1 BrCC1CCCO1 MC106365 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.1 BrCC1OCCO1 CS21401 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.1 CCC1CCCN1 MC110951 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.1 COC1CCCN1 MC41692 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.1 ClCC1=NCCN1 CS13610 [0,0,0,1,0,0|1,0,2]=4 61 B7R1.1 ClCC1OCCO1 MC428002 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.1 FCC1CCCN1 MC100102 [0,0,0,1,0,0|2,0,0]=3 63 B7R1.1 N#CC1CCCN1 MC104069 [0,0,0,1,0,0|1,0,2]=4 64 B7R1.1 NCC1CCCC1 CS14873 [0,0,0,1,0,0|2,0,0]=3 65 B7R1.1 NCC1CCCN1 CS15469 [0,0,0,1,0,0|1,0,0]=2 66 B7R1.1 NCC1CCCN1 CS15745 [0,0,0,1,0,0|1,0,0]=2 67 B7R1.1 NCC1CCNC1 MC431426 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.1 NCC1CCOC1 MC102307 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.1 NCC1CCOC1 MC103862 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.1 NCC1CCOC1 MC115675 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.1 NCC1CCOC1 MC121256 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.1 OCC1CCCC1 CS11185 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.1 OCC1CCCN1 CS17003 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.1 OCC1CCCN1 CS22640 [0,0,0,1,0,0|2,0,0]=3 75 B7R1.1 OCC1CCCO1 MC20392 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.3 BrC1CCCCC1 CS11079 [0,0,0,1,0,0|3,0,0]=4 77 B7R1.3 CC1CCCCN1 MC20418 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.3 CC1CCCNC1 CS16133 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.3 CC1CCCNC1 MC425227 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.3 CC1CNCCN1 CS13503 [0,0,0,1,0,0|1,0,0]=2 81 B7R1.3 CC1CNCCN1 CS17164 [0,0,0,1,0,0|1,0,0]=2 82 B7R1.3 CC1CNCCN1 CS17167 [0,0,0,1,0,0|1,0,0]=2 83 B7R1.3 CC1CNCCO1 CS14515 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.3 CC1CNCCO1 CS14521 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.3 CC1CNCCO1 CS19299 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.3 CC1CNCCO1 CS21692 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.3 CC1CNCCO1 MC444038 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.3 CC1CNCCO1 MC444192 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.3 CC1COCCN1 CS14856 [0,0,0,1,0,0|2,0,0]=3 90 B7R1.3 CC1COCCN1 CS20285 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.3 CC1COCCN1 CS22371 [0,0,0,1,0,0|2,0,0]=3 92 B7R1.3 CC1COCCN1 CS22413 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.3 CC1COCCN1 MC20820 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.3 FC1CCCNC1 MC101908 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.3 FC1CCCNC1 MC101918 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.3 FC1CCCNC1 MC444270 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.3 NC1CCCNC1 CS17178 [0,0,0,1,0,0|1,0,0]=2 98 B7R1.3 NC1CCCNC1 CS17182 [0,0,0,1,0,0|1,0,0]=2 99 B7R1.3 NC1CCCNC1 CS22655 [0,0,0,1,0,0|1,0,0]=2 100 B7R1.3 NC1CCOCC1 CS16997 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.3 NC1CCOCC1 CS18985 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.3 O=C1CCCCN1 MC429045 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.3 O=C1CCCNC1 CS14768 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.3 O=C1CCCNC1 CS17767 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.3 O=C1CNCCN1 CS19142 [0,0,0,1,0,0|1,0,1]=3 106 B7R1.3 O=C1CNCCO1 MC441004 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.3 O=C1COCCN1 CS11697 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.3 OC1CCCNC1 CS17016 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.3 OC1CCCNC1 CS17020 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.3 OC1CCCNC1 CS22642 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.3 OC1CCCOC1 CS17782 [0,0,0,1,0,0|3,0,0]=4 112 B7R1.3 SC1CCCNC1 MC105166 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.4 CC1COCC1N MC444024 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.4 NC1CCCC1O CS11147 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.4 NC1CCCC1O CS15594 [0,0,0,1,0,0|2,0,0]=3 116 B7R1.4 NC1CCCC1O CS18884 [0,0,0,1,0,0|2,0,0]=3 117 B7R1.4 NC1CCCC1O CS19404 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.4 NC1COCC1N MC101979 [0,0,0,1,0,0|1,0,0]=2 119 B7R1.4 NC1COCC1N MC101980 [0,0,0,1,0,0|1,0,0]=2 120 B7R1.4 NC1COCC1N MC103863 [0,0,0,1,0,0|1,0,0]=2 121 B7R1.4 NC1COCC1N MC113515 [0,0,0,1,0,0|1,0,0]=2 122 B7R1.4 NC1COCC1N MC444023 [0,0,0,1,0,0|1,0,0]=2 123 B7R1.4 NC1COCC1O MC105386 [0,0,0,1,0,0|2,0,0]=3 124 B7R1.4 NC1COCC1O MC105387 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.4 NC1COCC1O MC431325 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.4 OC1CNCC1O CS20186 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.4 OC1CNCC1O MC103857 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.6 COCC1CCN1 MC103809 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.6 COCC1CCN1 MC103810 [0,0,0,1,0,0|3,0,0]=4 130 B7R1.6 ClCCN1CCC1 MC103600 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.6 NNCC1CCC1 MC106836 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.6 OCCN1CCC1 MC106862 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.8 CN1CCC1CN MC104666 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.8 CN1CCC1CN MC104667 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.8 CN1CCC1CN MC105491 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.24 C1CNCCNC1 MC31155 [0,0,0,1,0,0|1,0,0]=2 137 B7R1.24 C1CNCCOC1 CS17007 [0,0,0,1,0,0|2,0,0]=3 138 B4R0.2 C#CCCN MC424006 [2,0,0,0,0,0|0,0,2]=4 139 B4R0.2 C#CCNC MC41929 [2,0,0,0,0,0|1,0,1]=4 140 B4R0.2 C=CCNN MC107856 [2,0,0,0,0,0|1,0,1]=4 141 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|1,0,1]=4 142 B4R0.2 CCCCO MC41869 [2,0,0,0,0,0|1,0,0]=3 143 B4R0.2 CCC[Zn]Br MC121348 [2,0,0,0,0,0|2,0,0]=4 144 B4R0.2 CCNCC CS11240 [2,0,0,0,0,0|0,0,0]=2 145 B4R0.2 CCOCC MC41960 [2,0,0,0,0,0|1,0,0]=3 146 B4R0.2 CC[Zn]CC MC10752 [2,0,0,0,0,0|1,0,0]=3 147 B4R0.2 CNCC#N CS19888 [2,0,0,0,0,0|0,0,2]=4 148 B4R0.2 CNCCO CS20910 [2,0,0,0,0,0|1,0,0]=3 149 B4R0.2 COCCCl MC428007 [2,0,0,0,0,0|2,0,0]=4 150 B4R0.2 ClCCCBr MC41861 [2,0,0,0,0,0|2,0,0]=4 151 B4R0.2 NCCCBr CS22190 [2,0,0,0,0,0|1,0,0]=3 152 B4R0.2 NCCCS MC428180 [2,0,0,0,0,0|1,0,0]=3 153 B4R0.2 [NH3+]CCCS MC428140 [2,0,0,0,0,0|1,0,1]=4 154 B6R0.1 CCC(C)CCBr MC112369 [1,1,0,0,0,0|2,0,0]=4 155 B6R0.1 CCCC(C)CBr MC112368 [1,1,0,0,0,0|2,0,0]=4 156 B6R0.1 CCCC(O)CO CS20495 [1,1,0,0,0,0|2,0,0]=4 157 B6R0.1 CCOC(=O)CN CS15347 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.1 CNC(=O)CCN MC112263 [1,1,0,0,0,0|2,0,0]=4 159 B6R0.1 COC(=O)CCN CS22266 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.1 OC(CBr)CCBr MC107100 [1,1,0,0,0,0|2,0,0]=4 161 B6R0.1 OC(CBr)CCBr MC107101 [1,1,0,0,0,0|2,0,0]=4 162 B6R0.1 OCCC(O)CO MC42234 [1,1,0,0,0,0|2,0,0]=4 163 B6R0.1 [NH3+]CCC(F)C[NH3+] MC112759 [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)CCCO MC428025 [1,1,0,0,0,0|2,0,0]=4 166 B6R0.4 CC(C)NCCN MC20461 [1,1,0,0,0,0|0,0,0]=2 167 B6R0.4 NCCCC(=O)O CS14998 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.4 NCCCC(N)=O MC112262 [1,1,0,0,0,0|0,0,1]=3 169 B8R0.4 CCCCNCCCC CS11229 [0,2,0,0,0,0|2,0,0]=4 170 B8R0.4 OCCCNCCCO CS21826 [0,2,0,0,0,0|2,0,0]=4 171 B8R0.7 N=C(N)NCCCCN MC436135 [0,2,0,0,0,0|1,0,1]=4 172 B8R0.7 NCCCCCC(=O)O CS13381 [0,2,0,0,0,0|2,0,0]=4 173 B8R0.19 CC(CO)NC(C)CO CS17166 [0,2,0,0,0,0|2,0,0]=4 174 B8R0.21 CC(F)(F)CNCCO MC115105 [0,2,0,0,0,0|2,0,0]=4 175 B8R0.28 CC(C)CCCC(C)N MC446672 [0,2,0,0,0,0|2,0,0]=4 176 B6R1.1 C1=CCNCC1 MC444071 [1,0,0,1,0,0|1,0,1]=4 177 B6R1.1 C1CCCCC1 MC41853 [1,0,0,1,0,0|2,0,0]=4 178 B6R1.1 C1CCNNC1 CS17893 [1,0,0,1,0,0|0,0,0]=2 179 B6R1.1 C1CC[NH2+]CC1 CS16333 [1,0,0,1,0,0|1,0,1]=4 180 B6R1.1 C1CNCCN1 MC41703 [1,0,0,1,0,0|0,0,0]=2 181 B6R1.1 C1COCCN1 MC20726 [1,0,0,1,0,0|1,0,0]=3 182 B6R1.1 C1CSCCN1 MC20759 [1,0,0,1,0,0|1,0,0]=3 183 B6R1.2 BrC1CCNC1 CS15742 [1,0,0,1,0,0|1,0,0]=3 184 B6R1.2 BrC1CCOC1 CS14643 [1,0,0,1,0,0|2,0,0]=4 185 B6R1.2 CC1CCCN1 CS18299 [1,0,0,1,0,0|1,0,0]=3 186 B6R1.2 CC1CCCN1 CS18800 [1,0,0,1,0,0|1,0,0]=3 187 B6R1.2 CC1CCCN1 CS19735 [1,0,0,1,0,0|1,0,0]=3 188 B6R1.2 CC1CCCN1 CS21699 [1,0,0,1,0,0|1,0,0]=3 189 B6R1.2 CC1CCCN1 CS21700 [1,0,0,1,0,0|1,0,0]=3 190 B6R1.2 CC1CCCN1 MC428345 [1,0,0,1,0,0|1,0,0]=3 191 B6R1.2 CC1CCCO1 MC20580 [1,0,0,1,0,0|2,0,0]=4 192 B6R1.2 FC1CCNC1 CS12894 [1,0,0,1,0,0|1,0,0]=3 193 B6R1.2 FC1CCNC1 CS14870 [1,0,0,1,0,0|1,0,0]=3 194 B6R1.2 FC1CCNC1 MC31003 [1,0,0,1,0,0|1,0,0]=3 195 B6R1.2 IC1CCOC1 MC101926 [1,0,0,1,0,0|2,0,0]=4 196 B6R1.2 NC1=NCCC1 CS19310 [1,0,0,1,0,0|0,0,2]=4 197 B6R1.2 NC1CC=CC1 CS19415 [1,0,0,1,0,0|1,0,1]=4 198 B6R1.2 NC1CCOC1 CS12010 [1,0,0,1,0,0|1,0,0]=3 199 B6R1.2 NC1CCOC1 CS13003 [1,0,0,1,0,0|1,0,0]=3 200 B6R1.2 NC1CCOC1 CS20366 [1,0,0,1,0,0|1,0,0]=3 201 B6R1.2 NC1CCOC1 MC443324 [1,0,0,1,0,0|1,0,0]=3 202 B6R1.2 NC1CCOC1 MC444237 [1,0,0,1,0,0|1,0,0]=3 203 B6R1.2 O=C1CCNC1 CS22412 [1,0,0,1,0,0|1,0,1]=4 204 B6R1.2 O=C1CNCN1 CS15654 [1,0,0,1,0,0|1,0,1]=4 205 B6R1.2 O=C1NCCN1 CS21607 [1,0,0,1,0,0|1,0,1]=4 206 B6R1.2 OC1CCNC1 CS16166 [1,0,0,1,0,0|1,0,0]=3 207 B6R1.2 OC1CCNC1 CS16635 [1,0,0,1,0,0|1,0,0]=3 208 B6R1.2 OC1CCNC1 CS16650 [1,0,0,1,0,0|1,0,0]=3 209 B6R1.2 OC1CCNC1 CS17407 [1,0,0,1,0,0|1,0,0]=3 210 B6R1.2 OC1CCNC1 CS21757 [1,0,0,1,0,0|1,0,0]=3 211 B6R1.2 OC1CCOC1 CS20284 [1,0,0,1,0,0|2,0,0]=4 212 B6R1.2 OC1CCOC1 MC42235 [1,0,0,1,0,0|2,0,0]=4 213 B6R1.2 OC1CCOC1 MC444279 [1,0,0,1,0,0|2,0,0]=4 214 B6R1.3 NCCC1CC1 MC425320 [1,0,0,1,0,0|1,0,0]=3 215 B6R1.3 NCCN1CC1 MC100405 [1,0,0,1,0,0|0,0,0]=2 216 B6R1.3 NOCC1CC1 MC107884 [1,0,0,1,0,0|2,0,0]=4 217 B6R1.3 OCCC1CC1 MC433884 [1,0,0,1,0,0|2,0,0]=4 218 B6R1.4 NC1CCC1O MC111877 [1,0,0,1,0,0|1,0,0]=3 219 B6R1.6 BrCC1CCC1 MC10470 [1,0,0,1,0,0|2,0,0]=4 220 B6R1.6 BrCC1CCO1 MC444177 [1,0,0,1,0,0|2,0,0]=4 221 B6R1.6 NCC1CCC1 CS11178 [1,0,0,1,0,0|1,0,0]=3 222 B6R1.6 NCC1CCN1 MC121273 [1,0,0,1,0,0|0,0,0]=2 223 B6R1.6 NCC1CCO1 MC121118 [1,0,0,1,0,0|1,0,0]=3 224 B6R1.6 NCC1CNC1 MC105370 [1,0,0,1,0,0|2,0,0]=4 225 B6R1.6 NCC1COC1 MC10517 [1,0,0,1,0,0|2,0,0]=4 226 B6R1.6 NCC1CSC1 MC121257 [1,0,0,1,0,0|2,0,0]=4 227 B6R1.6 NNC1CCC1 MC111229 [1,0,0,1,0,0|2,0,0]=4 228 B6R1.6 OCC1CCN1 CS15230 [1,0,0,1,0,0|1,0,0]=3 229 B6R1.6 OCC1CCN1 MC102029 [1,0,0,1,0,0|1,0,0]=3 230 B6R1.6 OCC1CCN1 MC102030 [1,0,0,1,0,0|1,0,0]=3 231 B6R1.6 OCC1CCO1 CS15009 [1,0,0,1,0,0|2,0,0]=4 232 B6R1.8 OCC1CC1F MC102847 [1,0,0,1,0,0|2,0,0]=4 233 B6R1.8 OCC1CC1F MC102848 [1,0,0,1,0,0|2,0,0]=4 234 B6R1.8 OCC1CC1F MC102849 [1,0,0,1,0,0|2,0,0]=4 235 B6R1.8 OCC1CC1F MC102850 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.2 CCC1CNCCN1 MC31046 [0,1,0,1,0,0|1,0,0]=3 237 B8R1.2 CCC1CNCCN1 MC31080 [0,1,0,1,0,0|1,0,0]=3 238 B8R1.2 CCC1CNCCO1 MC444035 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.2 CCC1CNCCO1 MC444058 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.2 CCC1CNCCO1 MC444187 [0,1,0,1,0,0|2,0,0]=4 241 B8R1.2 CCC1COCCN1 MC20812 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.2 CCC1COCCN1 MC444040 [0,1,0,1,0,0|2,0,0]=4 243 B8R1.2 CCC1COCCN1 MC444061 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.2 CCC1COCCN1 MC444269 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.2 CNC1CCCNC1 CS22823 [0,1,0,1,0,0|1,0,0]=3 246 B8R1.2 COC1CCCNC1 MC31194 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.2 COC1CCCNC1 MC444290 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.2 ClCC1CNCCO1 MC106711 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.2 N#CC1CCCCN1 MC105353 [0,1,0,1,0,0|1,0,1]=4 250 B8R1.2 N#CC1CCCCN1 MC444185 [0,1,0,1,0,0|1,0,1]=4 251 B8R1.2 N#CC1CCCNC1 MC105598 [0,1,0,1,0,0|1,0,1]=4 252 B8R1.2 N#CC1CCCNC1 MC444266 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.2 N#CC1CNCCN1 CS12950 [0,1,0,1,0,0|0,0,1]=3 254 B8R1.2 N#CC1CNCCO1 MC442480 [0,1,0,1,0,0|1,0,1]=4 255 B8R1.2 NCC1CCCCC1 MC20908 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.2 NCC1CCCCN1 CS22822 [0,1,0,1,0,0|1,0,0]=3 257 B8R1.2 NCC1CCCOC1 CS18439 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.2 NCC1CCCOC1 MC105501 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.2 NCC1CCCOC1 MC105502 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.2 NCC1CCOCC1 CS18584 [0,1,0,1,0,0|2,0,0]=4 261 B8R1.2 NCC1CCSCC1 MC102976 [0,1,0,1,0,0|2,0,0]=4 262 B8R1.2 NCC1CCSCC1 MC111187 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.2 NCC1COCCO1 MC444012 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.2 NCC1COCCO1 MC444016 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.2 NNC1CCCCC1 MC442574 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.2 NNC1CCCCC1 MC442575 [0,1,0,1,0,0|2,0,0]=4 267 B8R1.2 NOC1CCCCO1 CS17026 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.2 OCC1CCCCN1 CS21780 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.2 OCC1CCCNC1 CS15958 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.2 OCC1CCCNC1 CS22817 [0,1,0,1,0,0|2,0,0]=4 271 B8R1.2 OCC1CNCCO1 CS14518 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.2 OCC1CNCCO1 CS15145 [0,1,0,1,0,0|2,0,0]=4 273 B8R1.2 OCC1CNCCO1 CS15312 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.2 OCC1COCCN1 CS15269 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.2 OCC1COCCN1 CS15280 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.2 OCC1COCCN1 MC106628 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.2 OCC1COCCN1 MC115923 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.2 OCC1COCCN1 MC444278 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.5 CC1CCNCC1O MC103744 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.5 CC1CCNCC1O MC103745 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.5 CC1CCNCC1O MC105563 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.5 CC1CCNCC1O MC105564 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.5 CC1CCNCC1O MC444275 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.5 CC1CNCCC1=O MC106748 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.5 CC1CNCCN1C MC444011 [0,1,0,1,0,0|1,0,0]=3 286 B8R1.5 CC1CNCCN1C MC444015 [0,1,0,1,0,0|1,0,0]=3 287 B8R1.5 CC1COCCC1N MC100869 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.5 CC1COCCC1N MC104730 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.5 CN1CCNCC1=O CS17040 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.5 CN1CCNCC1=O CS18390 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.5 FC1CCNCC1F MC105603 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.5 FC1CCNCC1F MC105604 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.5 NC1CCCCC1N CS11826 [0,1,0,1,0,0|1,0,0]=3 294 B8R1.5 NC1CCCCC1N CS22821 [0,1,0,1,0,0|1,0,0]=3 295 B8R1.5 NC1CCCCC1O CS12403 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.5 NC1CCCCC1O CS12547 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.5 NC1CCCCC1O CS12548 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.5 NC1CCCCC1O CS14928 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.5 NC1CCCCC1O CS18590 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.5 NC1CCCCC1O MC20710 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.5 NC1CCCCC1O MC20824 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.5 NC1CCCNC1=O MC106744 [0,1,0,1,0,0|1,0,1]=4 303 B8R1.5 NC1CCOCC1O MC102103 [0,1,0,1,0,0|2,0,0]=4 304 B8R1.5 NC1CCOCC1O MC102104 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.5 NC1CCOCC1O MC102509 [0,1,0,1,0,0|2,0,0]=4 306 B8R1.5 NC1COCCC1O MC427129 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.5 O=C1CCNCC1Br MC106749 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.5 OC1CCNCC1F MC101962 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.5 OC1CCNCC1F MC103718 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.5 OC1CCNCC1O MC101991 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.5 OC1CCNCC1O MC111756 [0,1,0,1,0,0|2,0,0]=4 312 B8R1.5 OC1CCNCC1O MC116420 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.5 OC1CNCCC1F MC101961 [0,1,0,1,0,0|2,0,0]=4 314 B8R1.8 COCC1CCCN1 CS20310 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.8 ClCCN1CCCC1 CS15769 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.8 NCCC1CCCC1 CS15909 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.8 OCCC1CCCN1 MC103847 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.8 OCCC1CCCN1 MC106622 [0,1,0,1,0,0|2,0,0]=4 319 B8R1.11 CN1CCCC1CN MC444032 [0,1,0,1,0,0|1,0,0]=3 320 B8R1.11 CN1CCCC1CN MC444049 [0,1,0,1,0,0|1,0,0]=3 321 B8R1.11 CN1CCCC1CO CS14186 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.11 CN1CCCC1CO CS22816 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.11 COC1CNCC1F MC102136 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.11 N#CC1CCCC1N MC104396 [0,1,0,1,0,0|1,0,1]=4 325 B8R1.22 CC1CCNCCN1 MC104490 [0,1,0,1,0,0|1,0,0]=3 326 B8R1.22 FC1CCCNCC1 MC103919 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.22 NC1CCCCNC1 CS18624 [0,1,0,1,0,0|1,0,0]=3 328 B8R1.22 NC1CCCCNC1 MC104803 [0,1,0,1,0,0|1,0,0]=3 329 B8R1.22 NC1CCCCNC1 MC425605 [0,1,0,1,0,0|1,0,0]=3 330 B8R1.22 O=C1CCCNCC1 CS19096 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.22 O=C1CCNCCN1 CS18857 [0,1,0,1,0,0|1,0,0]=3 332 B8R1.22 O=C1CCSCCN1 MC121122 [0,1,0,1,0,0|2,0,0]=4 333 B8R1.22 O=S1CCCNCC1 MC100495 [0,1,0,1,0,0|2,0,0]=4 334 B8R1.1 OCC1CC(O)CN1 CS20184 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.3 CC1CNC(C)CN1 CS14078 [0,1,0,1,0,0|1,0,0]=3 336 B8R1.3 CC1CNC(C)CN1 MC103638 [0,1,0,1,0,0|1,0,0]=3 337 B8R1.3 CC1COC(C)CN1 MC107001 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.3 CC1COC(C)CN1 MC107002 [0,1,0,1,0,0|2,0,0]=4 339 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,1,0,1,0,0|1,0,1]=4 340 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,1,0,1,0,0|1,0,1]=4 341 B8R1.3 NC1CCC(N)CC1 CS18629 [0,1,0,1,0,0|2,0,0]=4 342 B8R1.3 NC1CCC(N)CC1 MC20732 [0,1,0,1,0,0|2,0,0]=4 343 B8R1.3 NC1CCC(O)CC1 CS12038 [0,1,0,1,0,0|2,0,0]=4 344 B8R1.3 NC1CCC(O)CC1 CS15381 [0,1,0,1,0,0|2,0,0]=4 345 B8R1.3 NC1CCC(O)CC1 CS18581 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.3 NC1CCC(O)CC1 CS18592 [0,1,0,1,0,0|2,0,0]=4 347 B8R1.52 NCC1(O)CCCC1 CS15390 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.52 NCC1(O)CCCC1 MC31148 [0,1,0,1,0,0|2,0,0]=4 349 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,1,0,1,0,0|2,0,0]=4 352 B8R1.4 CC1CC(O)CCN1 MC102122 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.4 CC1CC(O)CCN1 MC102123 [0,1,0,1,0,0|2,0,0]=4 354 B8R1.4 CC1CC(O)CCN1 MC102289 [0,1,0,1,0,0|2,0,0]=4 355 B8R1.4 CC1CCNC(C)C1 CS21125 [0,1,0,1,0,0|2,0,0]=4 356 B8R1.4 CC1CN(C)CCN1 MC102815 [0,1,0,1,0,0|1,0,0]=3 357 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,1,0,1,0,0|1,0,1]=4 358 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,1,0,1,0,0|1,0,1]=4 359 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,1,0,1,0,0|1,0,1]=4 360 B8R1.4 CC1CNCC(C)C1 CS14191 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.4 CC1CNCC(C)N1 CS18625 [0,1,0,1,0,0|1,0,0]=3 362 B8R1.4 CC1CNCC(C)N1 CS21187 [0,1,0,1,0,0|1,0,0]=3 363 B8R1.4 CC1CNCC(C)N1 MC103637 [0,1,0,1,0,0|1,0,0]=3 364 B8R1.4 CC1CNCC(C)N1 MC104476 [0,1,0,1,0,0|1,0,0]=3 365 B8R1.4 CC1CNCC(C)N1 MC444588 [0,1,0,1,0,0|1,0,0]=3 366 B8R1.4 CC1CNCC(C)O1 MC121304 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.4 CC1CNCC(C)O1 MC428243 [0,1,0,1,0,0|2,0,0]=4 368 B8R1.4 CC1CNCC(C)O1 MC444593 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.4 CC1COCC(C)N1 MC103641 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.4 CC1COCC(C)N1 MC104538 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.4 CC1COCC(C)N1 MC105667 [0,1,0,1,0,0|2,0,0]=4 372 B8R1.4 CC1COCC(C)N1 MC105668 [0,1,0,1,0,0|2,0,0]=4 373 B8R1.4 CC1COCC(C)N1 MC113396 [0,1,0,1,0,0|2,0,0]=4 374 B8R1.4 CN1CCCC(N)C1 MC102357 [0,1,0,1,0,0|1,0,0]=3 375 B8R1.4 CN1CCCC(N)C1 MC444039 [0,1,0,1,0,0|1,0,0]=3 376 B8R1.4 CN1CCCC(N)C1 MC444227 [0,1,0,1,0,0|1,0,0]=3 377 B8R1.4 CN1CCCC(O)C1 MC445500 [0,1,0,1,0,0|2,0,0]=4 378 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,1,0,1,0,0|1,0,1]=4 379 B8R1.4 NC1CCCC(N)C1 CS17066 [0,1,0,1,0,0|1,0,0]=3 380 B8R1.4 NC1CCCC(O)C1 CS17342 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.4 NC1CCCC(O)C1 CS18558 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.4 NC1CCCC(O)C1 MC116000 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.4 NC1CCCC(O)C1 MC116001 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.7 NC(=O)C1CCCN1 CS22629 [0,1,0,1,0,0|1,0,1]=4 385 B8R1.7 NC(=O)C1CCCN1 MC438122 [0,1,0,1,0,0|1,0,1]=4 386 B8R1.7 NC(=O)C1CCCN1 MC438123 [0,1,0,1,0,0|1,0,1]=4 387 B8R1.7 NC(=O)C1CCCN1 MC438124 [0,1,0,1,0,0|1,0,1]=4 388 B8R1.7 NC(=O)C1CCCN1 MC438125 [0,1,0,1,0,0|1,0,1]=4 389 B8R1.19 NC1CCCC1(F)F MC107609 [0,1,0,1,0,0|2,0,0]=4 390 B8R1.72 CC1(C)CNCCN1 CS18507 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.72 CC1(C)CNCCO1 MC100077 [0,1,0,1,0,0|2,0,0]=4 392 B8R1.72 CC1(C)COCCN1 CS21909 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.72 CC1(O)CCCNC1 MC444294 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.72 FC1(F)CCCNC1 CS21902 [0,1,0,1,0,0|2,0,0]=4 395 B8R2.22 C1CC2CNCC12 MC103502 [0,0,0,2,0,0|2,0,0]=4 396 B8R2.22 C1CC2CNCC12 MC105043 [0,0,0,2,0,0|2,0,0]=4 397 B8R2.34 C1CC2CCC1N2 CS10780 [0,0,0,2,0,0|2,0,0]=4 398 B8R2.34 C1CC2CCC1N2 MC113036 [0,0,0,2,0,0|2,0,0]=4 399 B8R2.34 C1OC2CNC1C2 CS12565 [0,0,0,2,0,0|2,0,0]=4 400 B8R2.34 C1OC2CNC1C2 MC102221 [0,0,0,2,0,0|2,0,0]=4 401 B8R2.34 C1OC2CNC1C2 MC103903 [0,0,0,2,0,0|2,0,0]=4 402 B8R2.34 C1OC2CNC1C2 MC105588 [0,0,0,2,0,0|2,0,0]=4 403 B8R2.34 C1OC2CNC1C2 MC31167 [0,0,0,2,0,0|2,0,0]=4 404 B8R2.34 C1OC2CNC1C2 MC444007 [0,0,0,2,0,0|2,0,0]=4 405 B8R2.55 C1CNC2(C1)CC2 MC103449 [0,0,0,2,0,0|2,0,0]=4 406 B8R2.18 NC1CC2CC2C1 MC103540 [0,0,0,2,0,0|2,0,0]=4 407 B8R2.23 C1NCC2CC1C2 MC115688 [0,0,0,2,0,0|2,0,0]=4 408 B8R2.23 C1NCC2CC1O2 MC102903 [0,0,0,2,0,0|2,0,0]=4 409 B8R2.23 C1OCC2CC1N2 MC116488 [0,0,0,2,0,0|2,0,0]=4 410 B8R2.25 C1CC2CC2CN1 MC105241 [0,0,0,2,0,0|2,0,0]=4 411 B8R2.25 C1COC2CC2N1 MC106168 [0,0,0,2,0,0|2,0,0]=4 412 B8R2.42 C1CC2(C1)CCN2 MC102079 [0,0,0,2,0,0|2,0,0]=4 413 B8R2.24 C1CC1NC2CC2 CS15910 [0,0,0,2,0,0|2,0,0]=4