0 B7R0.1 BrCCCCCCBr CS-0015831 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.1 C=CCSSCC=C CS-W016351 [0,0,0,0,0,0|0,0,4]=4 2 B7R0.1 CCCCCCCBr CS-W017293 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.1 CCCCCCCO CS-0152146 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.1 CCCCNCCO CS-0077079 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.1 CCCOCCCN CS-0213493 [0,0,0,0,0,0|2,1,0]=3 6 B7R0.1 CCNCCCCO CS-0206547 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.1 CNCCOCCO CS-0209922 [0,0,0,0,0,0|3,1,0]=4 8 B7R0.1 COCC#CCOC CS-0181843 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.1 COCCOCCBr CS-0116183 [0,0,0,0,0,0|3,1,0]=4 10 B7R0.1 COCCOCCI CS-0150162 [0,0,0,0,0,0|3,1,0]=4 11 B7R0.1 COCCOCCN CS-0115786 [0,0,0,0,0,0|3,1,0]=4 12 B7R0.1 COCCOCCN CS-0115787 [0,0,0,0,0,0|3,1,0]=4 13 B7R0.1 COCCOCCN CS-0115788 [0,0,0,0,0,0|3,1,0]=4 14 B7R0.1 COCCOCCN CS-0115790 [0,0,0,0,0,0|3,1,0]=4 15 B7R0.1 COCCOCCN CS-W008429 [0,0,0,0,0,0|3,1,0]=4 16 B7R0.1 COCCOCCO CS-0116122 [0,0,0,0,0,0|3,1,0]=4 17 B7R0.1 COCCOCCO CS-0644881 [0,0,0,0,0,0|3,1,0]=4 18 B7R0.1 COCCOCCO CS-0889987 [0,0,0,0,0,0|3,1,0]=4 19 B7R0.1 COCCOCCO CS-W013578 [0,0,0,0,0,0|3,1,0]=4 20 B7R0.1 COCCOCCS CS-0115760 [0,0,0,0,0,0|3,1,0]=4 21 B7R0.1 COCCOCCS CS-0115764 [0,0,0,0,0,0|3,1,0]=4 22 B7R0.1 COCCOCCS CS-0650914 [0,0,0,0,0,0|3,1,0]=4 23 B7R0.1 ClCCCCCCBr CS-W010503 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.1 ClCCCCCCCl CS-W016259 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.1 ClCCCCCCI CS-0059200 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.1 ICCCCCCI CS-W011914 [0,0,0,0,0,0|4,0,0]=4 27 B7R0.1 NCCCCCCBr CS-0158390 [0,0,0,0,0,0|4,0,0]=4 28 B7R0.1 NCCCCCCN CS-W015964 [0,0,0,0,0,0|4,0,0]=4 29 B7R0.1 NCCCCCCO CS-W007957 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.1 NCCCCCCS CS-D0506 [0,0,0,0,0,0|4,0,0]=4 31 B7R0.1 NCCCNCCBr CS-W022895 [0,0,0,0,0,0|4,0,0]=4 32 B7R0.1 NCCCNCCO CS-0158337 [0,0,0,0,0,0|4,0,0]=4 33 B7R0.1 NCCCNCCS CS-7832 [0,0,0,0,0,0|4,0,0]=4 34 B7R0.1 NCCNCCCO CS-0199570 [0,0,0,0,0,0|4,0,0]=4 35 B7R0.1 NCCSSCCN CS-0032055 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.1 NCCSSCCN CS-0086613 [0,0,0,0,0,0|2,0,0]=2 37 B7R0.1 NCC[Se][Se]CCN CS-0158446 [0,0,0,0,0,0|2,2,0]=4 38 B7R0.1 OCCCCCCBr CS-0654104 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.1 OCCCCCCBr CS-W017171 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.1 OCCCCCCCl CS-B1599 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.1 OCCCCCCO CS-W011221 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.1 OCCSSCCO CS-0181622 [0,0,0,0,0,0|2,0,0]=2 43 B6R0.6 BrCCCCCBr CS-W019956 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.6 BrCCOCCBr CS-W014174 [1,0,0,0,0,0|2,1,0]=4 45 B6R0.6 C(CC)=CCCO CS-W009552 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.6 C(CO)=CCCC CS-W016652 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.6 CCC#CCCO CS-0040171 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.6 CCCCCCI CS-0132388 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.6 CCCCCCN CS-0196786 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.6 CCCNCCC CS-0187381 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.6 CCCNCCC CS-0214120 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.6 CCCNCCO CS-0105782 [1,0,0,0,0,0|2,0,0]=3 53 B6R0.6 CCCOCCCl CS-0200392 [1,0,0,0,0,0|1,1,0]=3 54 B6R0.6 CCNCCCN CS-0151962 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.6 CCOCCCO CS-W013685 [1,0,0,0,0,0|2,1,0]=4 56 B6R0.6 CC\C=C/CCO CS-W011323 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.6 CNCCCCBr CS-0163109 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.6 CNCCCCO CS-W006493 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.6 COCCCCBr CS-W021313 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.6 COCCCCCl CS-0039726 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.6 COCCCCO CS-0150179 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.6 CSCCCCO CS-0204406 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.6 ClCCCCCBr CS-W016940 [1,0,0,0,0,0|3,0,0]=4 64 B6R0.6 ClCCCCCI CS-0135342 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.6 ClCCNCCCl CS-W020124 [1,0,0,0,0,0|3,0,0]=4 66 B6R0.6 FCCCCCBr CS-W005161 [1,0,0,0,0,0|3,0,0]=4 67 B6R0.6 ICCCCCI CS-0041009 [1,0,0,0,0,0|3,0,0]=4 68 B6R0.6 ICCOCCI CS-W011980 [1,0,0,0,0,0|2,1,0]=4 69 B6R0.6 NCCCCCBr CS-0006784 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.6 NCCCCCN CS-W017466 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.6 NCCCCCO CS-W013687 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.6 NCCNCCN CS-0498854 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.6 NCCNCCO CS-W011299 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.6 NCCOCCN CS-0114847 [1,0,0,0,0,0|2,1,0]=4 75 B6R0.6 NCCOCCN CS-0115750 [1,0,0,0,0,0|2,1,0]=4 76 B6R0.6 NCCOCCO CS-1013822 [1,0,0,0,0,0|2,1,0]=4 77 B6R0.6 NCCOCCO CS-1013830 [1,0,0,0,0,0|2,1,0]=4 78 B6R0.6 NCCOCCO CS-1014116 [1,0,0,0,0,0|2,1,0]=4 79 B6R0.6 NCCSCCN CS-W013570 [1,0,0,0,0,0|2,0,0]=3 80 B6R0.6 OCCCCCBr CS-0905394 [1,0,0,0,0,0|3,0,0]=4 81 B6R0.6 OCCCCCBr CS-W007393 [1,0,0,0,0,0|3,0,0]=4 82 B6R0.6 OCCCCCCl CS-0095410 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.6 OCCCCCI CS-0252955 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.6 OCCCCCO CS-W020635 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.6 OCCNCCCl CS-0064563 [1,0,0,0,0,0|3,0,0]=4 86 B6R0.6 OCCOCCBr CS-0114928 [1,0,0,0,0,0|2,1,0]=4 87 B6R0.6 OCCOCCCl CS-0016058 [1,0,0,0,0,0|2,1,0]=4 88 B6R0.6 OCCOCCF CS-0199113 [1,0,0,0,0,0|2,1,0]=4 89 B6R0.6 OCCOCCI CS-0139452 [1,0,0,0,0,0|2,1,0]=4 90 B8R0.1 CCCCC(O)CCC CS-0362569 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.1 CCCCN(C)CCO CS-0132259 [0,1,0,0,0,0|3,0,0]=4 92 B8R0.4 BrCCCCCCCBr CS-W010166 [0,1,0,0,0,0|3,0,0]=4 93 B8R0.4 BrCCCOCCCBr CS-0526980 [0,1,0,0,0,0|2,1,0]=4 94 B8R0.4 CCCC=C=CCCO CS-1173689 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.4 CCCCC#CCCO CS-0315148 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.4 CCCCCCCC=O CS-0138976 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.4 CCCCCCCCBr CS-0076039 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.4 CCCCCCCCI CS-0188391 [0,1,0,0,0,0|2,0,0]=3 99 B8R0.4 CCCCCCCCN CS-0076038 [0,1,0,0,0,0|2,0,0]=3 100 B8R0.4 CCCCCCCCN CS-0179378 [0,1,0,0,0,0|2,0,0]=3 101 B8R0.4 CCCCCCCCO CS-0076037 [0,1,0,0,0,0|2,0,0]=3 102 B8R0.4 CCCCOCCCN CS-0130475 [0,1,0,0,0,0|1,1,0]=3 103 B8R0.4 CCCCSCCCC CS-0255960 [0,1,0,0,0,0|1,0,0]=2 104 B8R0.4 COCCNCCOC CS-D1692 [0,1,0,0,0,0|3,0,0]=4 105 B8R0.4 COCCOCCOC CS-0017205 [0,1,0,0,0,0|2,1,0]=4 106 B8R0.4 COCCOCCOC CS-0099019 [0,1,0,0,0,0|2,1,0]=4 107 B8R0.4 ClCCCOCCCCl CS-0169240 [0,1,0,0,0,0|2,1,0]=4 108 B8R0.4 NCCCCCCCN CS-W009537 [0,1,0,0,0,0|3,0,0]=4 109 B8R0.4 NCCCCCCCO CS-0088962 [0,1,0,0,0,0|3,0,0]=4 110 B8R0.4 NCCCOCCCN CS-0207652 [0,1,0,0,0,0|2,1,0]=4 111 B8R0.4 NCCCOCCCO CS-0147757 [0,1,0,0,0,0|2,1,0]=4 112 B8R0.4 OCCCCCCCBr CS-W008425 [0,1,0,0,0,0|3,0,0]=4 113 B8R0.4 OCCCCCCCO CS-W013404 [0,1,0,0,0,0|3,0,0]=4 114 B8R0.4 OCCCNCCCO CS-0186731 [0,1,0,0,0,0|3,0,0]=4 115 B8R0.4 OCCCOCCCCl CS-0147762 [0,1,0,0,0,0|2,1,0]=4 116 B8R0.4 OCCCOCCCO CS-0131092 [0,1,0,0,0,0|2,1,0]=4 117 B8R0.6 CCCCCC(O)CC CS-0152331 [0,1,0,0,0,0|2,0,0]=3 118 B8R0.6 CCCCC[C@@H](O)CC CS-0464840 [0,1,0,0,0,0|2,0,0]=3 119 B8R0.7 CC(C)CCCCCO CS-0210352 [0,1,0,0,0,0|3,0,0]=4 120 B8R0.7 CC(C)CCCCCO CS-0641181 [0,1,0,0,0,0|3,0,0]=4 121 B8R0.7 CCCCCCC(C)=O CS-W011125 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.7 CCCCCCC(C)Br CS-0182749 [0,1,0,0,0,0|2,0,0]=3 123 B8R0.7 CCCCCCC(C)O CS-W011107 [0,1,0,0,0,0|2,0,0]=3 124 B8R0.7 CCCCCC[C@@H](C)N CS-0204339 [0,1,0,0,0,0|2,0,0]=3 125 B8R0.7 CCCCCC[C@@H](C)O CS-0140572 [0,1,0,0,0,0|2,0,0]=3 126 B8R0.7 CCCCCC[C@H](C)O CS-0140577 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.2 BrCC1CCCCC1 CS-W007517 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.2 BrCC1CCCCO1 CS-0214963 [0,0,0,1,0,0|2,1,0]=4 129 B8R1.2 CCC1CCNCC1 CS-0147296 [0,0,0,1,0,0|3,0,0]=4 130 B8R1.2 CCC1CNCCN1 CS-D0270 [0,0,0,1,0,0|3,0,0]=4 131 B8R1.2 CCC1CNCCO1 CS-0080681 [0,0,0,1,0,0|2,1,0]=4 132 B8R1.2 CCC1COCCN1 CS-0059261 [0,0,0,1,0,0|2,1,0]=4 133 B8R1.2 CC[C@@H]1CNCCO1 CS-0096526 [0,0,0,1,0,0|2,1,0]=4 134 B8R1.2 CC[C@@H]1COCCN1 CS-0146937 [0,0,0,1,0,0|2,1,0]=4 135 B8R1.2 CC[C@@H]1COCCN1 CS-0146943 [0,0,0,1,0,0|2,1,0]=4 136 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [0,0,0,1,0,0|3,0,0]=4 137 B8R1.2 CC[C@H]1CNCCO1 CS-0100795 [0,0,0,1,0,0|2,1,0]=4 138 B8R1.2 CC[C@H]1COCCN1 CS-0146945 [0,0,0,1,0,0|2,1,0]=4 139 B8R1.2 CNC1CCCNC1 CS-W016863 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.2 COC1CCCCO1 CS-0197358 [0,0,0,1,0,0|2,1,0]=4 141 B8R1.2 COC1CCCNC1 CS-0051284 [0,0,0,1,0,0|3,0,0]=4 142 B8R1.2 COC1CCCNC1 CS-0150202 [0,0,0,1,0,0|3,0,0]=4 143 B8R1.2 CO[C@@H]1CCCNC1 CS-0053772 [0,0,0,1,0,0|3,0,0]=4 144 B8R1.2 CO[C@H]1CCCNC1 CS-0053262 [0,0,0,1,0,0|3,0,0]=4 145 B8R1.2 FCC1CCCNC1 CS-W001354 [0,0,0,1,0,0|3,0,0]=4 146 B8R1.2 ICC1CCCCC1 CS-0155327 [0,0,0,1,0,0|3,0,0]=4 147 B8R1.2 ICC1CCCCO1 CS-0058218 [0,0,0,1,0,0|2,1,0]=4 148 B8R1.2 NCC1CCCCN1 CS-W011240 [0,0,0,1,0,0|3,0,0]=4 149 B8R1.2 NCC1CCCNC1 CS-0028231 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.2 NCC1CCCOC1 CS-0048770 [0,0,0,1,0,0|2,1,0]=4 151 B8R1.2 OCC1CCCCC1 CS-W011242 [0,0,0,1,0,0|3,0,0]=4 152 B8R1.2 OCC1CCCCN1 CS-W013620 [0,0,0,1,0,0|3,0,0]=4 153 B8R1.2 OCC1CCCCO1 CS-0034490 [0,0,0,1,0,0|2,1,0]=4 154 B8R1.2 OCC1CCCNC1 CS-W001981 [0,0,0,1,0,0|3,0,0]=4 155 B8R1.2 OCC1CCCOC1 CS-D0478 [0,0,0,1,0,0|2,1,0]=4 156 B8R1.2 OC[C@@H]1CCCCN1 CS-W001568 [0,0,0,1,0,0|3,0,0]=4 157 B8R1.2 OC[C@@H]1CCCNC1 CS-0030374 [0,0,0,1,0,0|3,0,0]=4 158 B8R1.2 OC[C@@H]1CCCNC1 CS-W018674 [0,0,0,1,0,0|3,0,0]=4 159 B8R1.2 OC[C@H]1CCCCN1 CS-W018567 [0,0,0,1,0,0|3,0,0]=4 160 B8R1.2 OC[C@H]1CCCNC1 CS-0133006 [0,0,0,1,0,0|3,0,0]=4 161 B8R1.2 OC[C@H]1CCCNC1 CS-W019674 [0,0,0,1,0,0|3,0,0]=4 162 B8R1.5 CC1CCCCC1N CS-W013646 [0,0,0,1,0,0|3,0,0]=4 163 B8R1.5 CC1CNCCC1O CS-0051241 [0,0,0,1,0,0|3,0,0]=4 164 B8R1.5 CC1CNCCN1C CS-W005051 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.5 C[C@@H]1CCCC[C@@H]1N CS-0158236 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.5 C[C@@H]1CNCCN1C CS-0006864 [0,0,0,1,0,0|3,0,0]=4 167 B8R1.5 C[C@@H]1CNCCN1C CS-0053508 [0,0,0,1,0,0|3,0,0]=4 168 B8R1.5 C[C@@H]1CNCC[C@H]1O CS-0051211 [0,0,0,1,0,0|3,0,0]=4 169 B8R1.5 C[C@H]1CCCC[C@H]1N CS-0162390 [0,0,0,1,0,0|3,0,0]=4 170 B8R1.5 C[C@H]1CNCCN1C CS-0006863 [0,0,0,1,0,0|3,0,0]=4 171 B8R1.5 C[C@H]1CNCCN1C CS-0053455 [0,0,0,1,0,0|3,0,0]=4 172 B8R1.5 O[C@@H]1CSSC[C@H]1O CS-0157913 [0,0,0,1,0,0|2,0,0]=3 173 B8R1.8 BrCCN1CCCC1 CS-0040578 [0,0,0,1,0,0|3,0,0]=4 174 B8R1.8 CCCC1=NCCN1 CS-0119918 [0,0,0,1,0,0|3,0,0]=4 175 B8R1.8 CNCC1CCCN1 CS-0162490 [0,0,0,1,0,0|3,0,0]=4 176 B8R1.8 CNC[C@@H]1CCCN1 CS-0162015 [0,0,0,1,0,0|3,0,0]=4 177 B8R1.8 COC[C@@H]1CCCN1 CS-W002057 [0,0,0,1,0,0|3,0,0]=4 178 B8R1.8 COC[C@H]1CCCN1 CS-W002305 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.8 ClCCN1CCCC1 CS-D1148 [0,0,0,1,0,0|3,0,0]=4 180 B8R1.8 NCCC1CCCC1 CS-W006125 [0,0,0,1,0,0|3,0,0]=4 181 B8R1.8 NCCN1CCCC1 CS-D1372 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.8 OCCC1CCCC1 CS-0055010 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.8 OCCC1CCCO1 CS-0451231 [0,0,0,1,0,0|2,1,0]=4 184 B8R1.8 OCC[C@H]1CCCN1 CS-0572825 [0,0,0,1,0,0|3,0,0]=4 185 B8R1.11 C[C@H]1CNC[C@@H]1CO CS-0172749 [0,0,0,1,0,0|3,0,0]=4 186 B8R1.22 BrC1CCCCCC1 CS-0146614 [0,0,0,1,0,0|3,0,0]=4 187 B8R1.22 CC1CCCNCC1 CS-0199646 [0,0,0,1,0,0|2,0,0]=3 188 B8R1.22 CN1CCCNCC1 CS-W013631 [0,0,0,1,0,0|3,0,0]=4 189 B8R1.22 ClC1CCCCCC1 CS-0155300 [0,0,0,1,0,0|3,0,0]=4 190 B8R1.22 FC1CCCCNC1 CS-0308682 [0,0,0,1,0,0|3,0,0]=4 191 B8R1.22 NC1CCCCCC1 CS-0071927 [0,0,0,1,0,0|3,0,0]=4 192 B8R1.22 NC1CCCCNC1 CS-W002928 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.22 NC1CCCNCC1 CS-0271304 [0,0,0,1,0,0|3,0,0]=4 194 B8R1.22 N[C@@H]1CCCCNC1 CS-M3616 [0,0,0,1,0,0|3,0,0]=4 195 B8R1.22 N[C@H]1CCCCNC1 CS-0147270 [0,0,0,1,0,0|3,0,0]=4 196 B8R1.22 OC1CCCCCC1 CS-W013633 [0,0,0,1,0,0|3,0,0]=4 197 B8R1.22 OC1CCCCNC1 CS-0475252 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.22 OC1CCCNCC1 CS-0038201 [0,0,0,1,0,0|3,0,0]=4 199 B8R1.36 CCCCCC1CO1 CS-0205209 [0,0,0,1,0,0|3,0,0]=4 200 B8R1.49 C1=CCCCCCC1 CS-0035172 [0,0,0,1,0,0|2,0,0]=3 201 B8R1.49 C1CCCNCCC1 CS-0204387 [0,0,0,1,0,0|2,0,0]=3 202 B5R0.2 BrCCCCBr CS-W020631 [2,0,0,0,0,0|2,0,0]=4 203 B5R0.2 CCCCON CS-0106180 [2,0,0,0,0,0|2,0,0]=4 204 B5R0.2 CCNCCO CS-0076051 [2,0,0,0,0,0|2,0,0]=4 205 B5R0.2 CCSCCN CS-0663845 [2,0,0,0,0,0|1,0,0]=3 206 B5R0.2 CNCCCCl CS-0150991 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.2 CNCCCO CS-W007469 [2,0,0,0,0,0|2,0,0]=4 208 B5R0.2 COCCCBr CS-W010945 [2,0,0,0,0,0|2,0,0]=4 209 B5R0.2 CSCCCO CS-0015993 [2,0,0,0,0,0|2,0,0]=4 210 B5R0.2 ClCCCCBr CS-W017647 [2,0,0,0,0,0|2,0,0]=4 211 B5R0.2 ClCCCCI CS-W019348 [2,0,0,0,0,0|2,0,0]=4 212 B5R0.2 FCCCCBr CS-W018025 [2,0,0,0,0,0|2,0,0]=4 213 B5R0.2 ICCCCI CS-W004871 [2,0,0,0,0,0|2,0,0]=4 214 B5R0.2 NCCCCBr CS-W005399 [2,0,0,0,0,0|2,0,0]=4 215 B5R0.2 NCCCCCl CS-0158355 [2,0,0,0,0,0|2,0,0]=4 216 B5R0.2 NCCCCO CS-W002041 [2,0,0,0,0,0|2,0,0]=4 217 B5R0.2 OCCCCBr CS-W000344 [2,0,0,0,0,0|2,0,0]=4 218 B5R0.2 OCCCCCl CS-0022417 [2,0,0,0,0,0|2,0,0]=4 219 B5R0.2 OCCCCF CS-0116811 [2,0,0,0,0,0|2,0,0]=4 220 B7R0.3 CCCCC(O)CO CS-W013596 [1,1,0,0,0,0|2,0,0]=4 221 B7R0.3 CCCC[C@@H](N)CO CS-0089933 [1,1,0,0,0,0|2,0,0]=4 222 B7R0.3 CCCC[C@@H](N)CO CS-0162184 [1,1,0,0,0,0|2,0,0]=4 223 B7R0.4 CC(C)CCCCBr CS-0154231 [1,1,0,0,0,0|2,0,0]=4 224 B7R0.4 CC(C)CCCCO CS-W011227 [1,1,0,0,0,0|2,0,0]=4 225 B7R0.4 CC(O)CCCCO CS-0572924 [1,1,0,0,0,0|2,0,0]=4 226 B7R0.4 CC(O)CSCCO CS-0159777 [1,1,0,0,0,0|1,0,0]=3 227 B7R0.4 CCCCCC(C)O CS-W016595 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.4 CCCCC[C@@H](C)O CS-0152365 [1,1,0,0,0,0|1,0,0]=3 229 B7R0.4 CCCCC[C@H](C)O CS-0179417 [1,1,0,0,0,0|1,0,0]=3 230 B7R0.4 CCCSCC(=O)O CS-0651549 [1,1,0,0,0,0|1,0,1]=4 231 B7R0.7 CCCC(Br)CCC CS-0106173 [1,1,0,0,0,0|1,0,0]=3 232 B7R0.7 CCCC(O)CCC CS-0132313 [1,1,0,0,0,0|1,0,0]=3 233 B7R0.7 CCC[C@H](N)CCO CS-0152589 [1,1,0,0,0,0|2,0,0]=4 234 B9R0.4 CCCOC(=O)CC(C)C CS-0453597 [0,2,0,0,0,0|1,1,0]=4 235 B9R0.18 CCCCC(=O)CCCC CS-W018275 [0,2,0,0,0,0|2,0,0]=4 236 B9R0.18 CCCCC(O)CCCC CS-0083495 [0,2,0,0,0,0|2,0,0]=4 237 B9R0.18 CCCCS(=O)CCCC CS-0181824 [0,2,0,0,0,0|1,0,1]=4 238 B9R0.2 CCCCCCCC(C)=O CS-0015991 [0,2,0,0,0,0|2,0,0]=4 239 B9R0.2 CCCNCCCN(C)C CS-0116651 [0,2,0,0,0,0|2,0,0]=4 240 B9R0.45 BrCCCCCCCCBr CS-0007585 [0,2,0,0,0,0|2,0,0]=4 241 B9R0.45 C#CCCCCCCCC CS-0031636 [0,2,0,0,0,0|2,0,0]=4 242 B9R0.45 CCCCC#CCCCC CS-0066208 [0,2,0,0,0,0|2,0,0]=4 243 B9R0.45 CCCCCCCCCBr CS-W015275 [0,2,0,0,0,0|2,0,0]=4 244 B9R0.45 CCCCCCCCCI CS-0179369 [0,2,0,0,0,0|2,0,0]=4 245 B9R0.45 CCCCCCCCCN CS-W016408 [0,2,0,0,0,0|2,0,0]=4 246 B9R0.45 CCCCCCCCCO CS-W009532 [0,2,0,0,0,0|2,0,0]=4 247 B9R0.45 CCCCCCCCNC CS-0152155 [0,2,0,0,0,0|2,0,0]=4 248 B9R0.45 CCCCCCCCSC CS-0451724 [0,2,0,0,0,0|2,0,0]=4 249 B9R0.45 CCCCNCCCCO CS-0152101 [0,2,0,0,0,0|2,0,0]=4 250 B9R0.45 CNCCCCCCNC CS-0150992 [0,2,0,0,0,0|2,0,0]=4 251 B9R0.45 COCCCCCCOC CS-0321041 [0,2,0,0,0,0|2,0,0]=4 252 B9R0.45 ICCCCCCCCI CS-0196432 [0,2,0,0,0,0|2,0,0]=4 253 B9R0.45 NCCCCCCCCN CS-W016375 [0,2,0,0,0,0|2,0,0]=4 254 B9R0.45 NCCCCCCCCO CS-0147845 [0,2,0,0,0,0|2,0,0]=4 255 B9R0.45 NCCCCNCCCN CS-0013804 [0,2,0,0,0,0|2,0,0]=4 256 B9R0.45 OCCCCCCCCBr CS-0015428 [0,2,0,0,0,0|2,0,0]=4 257 B9R0.45 OCCCCCCCCCl CS-W014309 [0,2,0,0,0,0|2,0,0]=4 258 B9R0.45 OCCCCCCCCO CS-W018224 [0,2,0,0,0,0|2,0,0]=4 259 B9R0.45 OCCCSSCCCO CS-0162834 [0,2,0,0,0,0|0,0,0]=2 260 B9R0.46 CCCCCCC(=O)CC CS-0330265 [0,2,0,0,0,0|2,0,0]=4 261 B9R0.46 CCCCCCC(O)CC CS-0199187 [0,2,0,0,0,0|2,0,0]=4 262 B9R0.46 CCCCCCC(O)CO CS-W018222 [0,2,0,0,0,0|2,0,0]=4 263 B9R0.20 CCCCCC(C)(C)CC CS-0128828 [0,2,0,0,0,0|2,0,0]=4 264 B9R0.24 CC[C@@H](O)CC[C@H](O)CC CS-0106832 [0,2,0,0,0,0|2,0,0]=4 265 B7R1.1 BrCC1CCCC1 CS-W004985 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.1 CCC1CCCN1 CS-0454761 [1,0,0,1,0,0|1,0,0]=3 267 B7R1.1 CC[C@H]1CCCN1 CS-0197308 [1,0,0,1,0,0|1,0,0]=3 268 B7R1.1 FC[C@@H]1CCCN1 CS-0053450 [1,0,0,1,0,0|2,0,0]=4 269 B7R1.1 ICC1CCCC1 CS-0309298 [1,0,0,1,0,0|2,0,0]=4 270 B7R1.1 NCC1CCCC1 CS-D0472 [1,0,0,1,0,0|2,0,0]=4 271 B7R1.1 NCC1CCCN1 CS-0019253 [1,0,0,1,0,0|2,0,0]=4 272 B7R1.1 NC[C@@H]1CCCO1 CS-0438150 [1,0,0,1,0,0|1,1,0]=4 273 B7R1.1 NC[C@@H]1CCCO1 CS-W011316 [1,0,0,1,0,0|1,1,0]=4 274 B7R1.1 OCC1CCCC1 CS-W001923 [1,0,0,1,0,0|2,0,0]=4 275 B7R1.1 OCC1CCCN1 CS-W007622 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [1,0,0,1,0,0|2,0,0]=4 277 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [1,0,0,1,0,0|1,1,0]=4 278 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [1,0,0,1,0,0|2,0,0]=4 279 B7R1.1 [C@@H]1(CN)CCCN1 CS-0043760 [1,0,0,1,0,0|2,0,0]=4 280 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [1,0,0,1,0,0|1,1,0]=4 281 B7R1.1 [C@H]1(CO)CCCO1 CS-W013695 [1,0,0,1,0,0|1,1,0]=4 282 B7R1.3 BrC1CCCCC1 CS-W017925 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.3 BrC1CCCOC1 CS-W019418 [1,0,0,1,0,0|1,1,0]=4 284 B7R1.3 CC1CCOCC1 CS-0233092 [1,0,0,1,0,0|1,1,0]=4 285 B7R1.3 CC1CNCCO1 CS-0152670 [1,0,0,1,0,0|2,0,0]=4 286 B7R1.3 CC1CNCCO1 CS-D1584 [1,0,0,1,0,0|2,0,0]=4 287 B7R1.3 CC1COCCN1 CS-W009058 [1,0,0,1,0,0|1,1,0]=4 288 B7R1.3 CC1SCCCS1 CS-0094743 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.3 C[C@@H]1CCCCN1 CS-W019137 [1,0,0,1,0,0|2,0,0]=4 290 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [1,0,0,1,0,0|1,0,0]=3 291 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [1,0,0,1,0,0|2,0,0]=4 292 B7R1.3 C[C@@H]1CNCCO1 CS-0019313 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [1,0,0,1,0,0|2,0,0]=4 294 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [1,0,0,1,0,0|1,1,0]=4 295 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [1,0,0,1,0,0|1,1,0]=4 296 B7R1.3 C[C@H]1CCCCN1 CS-0145867 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.3 C[C@H]1COCCN1 CS-M0392 [1,0,0,1,0,0|1,1,0]=4 299 B7R1.3 C[C@H]1COCCN1 CS-W008644 [1,0,0,1,0,0|1,1,0]=4 300 B7R1.3 ClC1CCCCC1 CS-0198086 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.3 FC1CCCNC1 CS-W001632 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.3 F[C@@H]1CCCNC1 CS-0053327 [1,0,0,1,0,0|2,0,0]=4 303 B7R1.3 IC1CCCCC1 CS-0148628 [1,0,0,1,0,0|2,0,0]=4 304 B7R1.3 NC1CCCCC1 CS-W013335 [1,0,0,1,0,0|2,0,0]=4 305 B7R1.3 NC1CCCNC1 CS-W002078 [1,0,0,1,0,0|2,0,0]=4 306 B7R1.3 NC1CCCOC1 CS-0044162 [1,0,0,1,0,0|1,1,0]=4 307 B7R1.3 NC1CCCOC1 CS-0069616 [1,0,0,1,0,0|1,1,0]=4 308 B7R1.3 NC1CCSCC1 CS-0043960 [1,0,0,1,0,0|2,0,0]=4 309 B7R1.3 NC1CCSCC1 CS-W000397 [1,0,0,1,0,0|2,0,0]=4 310 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.3 N[C@@H]1CCCNC1 CS-W009139 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [1,0,0,1,0,0|1,1,0]=4 313 B7R1.3 O=C1CCCSC1 CS-D0446 [1,0,0,1,0,0|1,0,1]=4 314 B7R1.3 OC1CCCCC1 CS-0017198 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.3 OC1CCCNC1 CS-D1393 [1,0,0,1,0,0|2,0,0]=4 316 B7R1.3 OC1CCCNC1 CS-W013706 [1,0,0,1,0,0|2,0,0]=4 317 B7R1.3 OC1CCCOC1 CS-D1560 [1,0,0,1,0,0|1,1,0]=4 318 B7R1.3 OC1CCSCC1 CS-D1275 [1,0,0,1,0,0|2,0,0]=4 319 B7R1.3 O[C@@H]1CCCNC1 CS-0053770 [1,0,0,1,0,0|2,0,0]=4 320 B7R1.3 O[C@H]1CCCNC1 CS-0029964 [1,0,0,1,0,0|2,0,0]=4 321 B7R1.3 O[C@H]1CCCNC1 CS-W003070 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.3 [C@@H]1(N)CCCOC1 CS-W006989 [1,0,0,1,0,0|1,1,0]=4 323 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.3 [C@H]1(C)CCCCN1 CS-0044046 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [1,0,0,1,0,0|1,0,0]=3 326 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [1,0,0,1,0,0|2,0,0]=4 327 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.4 C[C@H]1CNC[C@@H]1O CS-0035605 [1,0,0,1,0,0|2,0,0]=4 329 B7R1.6 NCCN1CCC1 CS-0127626 [1,0,0,1,0,0|2,0,0]=4 330 B7R1.6 OCCN1CCC1 CS-D0268 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.7 OCCNC1CC1 CS-0072588 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.24 C1CNCCNC1 CS-W007768 [1,0,0,1,0,0|2,0,0]=4 333 B7R1.24 C1CNCCOC1 CS-0171615 [1,0,0,1,0,0|1,1,0]=4 334 B7R1.24 C1CNCCOC1 CS-B1101 [1,0,0,1,0,0|1,1,0]=4 335 B9R1.8 BrCCC1CCCCC1 CS-W010732 [0,1,0,1,0,0|2,0,0]=4 336 B9R1.8 CCCC1CCNCC1 CS-0434112 [0,1,0,1,0,0|2,0,0]=4 337 B9R1.8 CCCN1CCNCC1 CS-0152069 [0,1,0,1,0,0|2,0,0]=4 338 B9R1.8 CCNC1CCCCC1 CS-W016555 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.8 COCC1CCCCN1 CS-0207116 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.8 COCC1CCCNC1 CS-0217524 [0,1,0,1,0,0|2,0,0]=4 341 B9R1.8 NCCC1CCCCC1 CS-0040906 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.8 NCCC1CCCCO1 CS-0084526 [0,1,0,1,0,0|1,1,0]=4 343 B9R1.8 OCCC1CCCCC1 CS-0072235 [0,1,0,1,0,0|2,0,0]=4 344 B9R1.8 OCCC1CCCCN1 CS-W001979 [0,1,0,1,0,0|2,0,0]=4 345 B9R1.8 OCCC1CCCCO1 CS-0068082 [0,1,0,1,0,0|1,1,0]=4 346 B9R1.8 OCCC1CCCNC1 CS-D1062 [0,1,0,1,0,0|2,0,0]=4 347 B9R1.8 OCCC1CCCNC1 CS-WAA0206 [0,1,0,1,0,0|2,0,0]=4 348 B9R1.8 OCC[C@@H]1CCCCN1 CS-0060809 [0,1,0,1,0,0|2,0,0]=4 349 B9R1.8 OCC[C@@H]1CCCCN1 CS-W019797 [0,1,0,1,0,0|2,0,0]=4 350 B9R1.8 [C@H]1(CCO)CCCCN1 CS-W007158 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.12 BrCCCN1CCCC1 CS-W007182 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.12 ClCCCN1CCCC1 CS-0155277 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.12 NCCCN1CCCC1 CS-W007457 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.12 OCCCN1CCCC1 CS-W005320 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.15 CCC1CCCCC1=O CS-0103893 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.50 NC1CCCCCCC1 CS-0155298 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.50 O=C1CCCCCCC1 CS-W007564 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.50 OC1C=CCCCCC1 CS-0782885 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.50 OC1CCC=CCCC1 CS-W006126 [0,1,0,1,0,0|2,0,0]=4 361 B9R1.69 CC1CCC(O)CC1C CS-0206609 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.134 CCC[N+]1(C)CCCC1 CS-0378408 [0,1,0,1,0,0|2,0,0]=4 363 B9R1.83 CCCCCCC1CO1 CS-0152296 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.89 BrCC1CCCCCC1 CS-0144558 [0,1,0,1,0,0|2,0,0]=4 365 B9R1.89 CCN1CCCNCC1 CS-0124385 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.89 NCC1CCCCCC1 CS-0155299 [0,1,0,1,0,0|2,0,0]=4 367 B9R1.89 OCC1CCCCCC1 CS-0144557 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.89 OCC1CCCCNC1 CS-0049917 [0,1,0,1,0,0|2,0,0]=4 369 B9R1.1 CCC1CCC(N)CC1 CS-0216065 [0,1,0,1,0,0|2,0,0]=4 370 B9R1.1 CCC1CCC(O)CC1 CS-0152471 [0,1,0,1,0,0|2,0,0]=4 371 B9R1.118 CCC1(O)CCCCC1 CS-0032047 [0,1,0,1,0,0|2,0,0]=4 372 B9R1.6 CC(N)C1CCCCC1 CS-0136579 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.6 CC(O)C1CCCCC1 CS-0109616 [0,1,0,1,0,0|2,0,0]=4 374 B9R1.6 C[C@@H](N)C1CCCCC1 CS-0343288 [0,1,0,1,0,0|2,0,0]=4 375 B9R1.6 C[C@@H](O)C1CCCCC1 CS-0144970 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.6 C[C@H](N)C1CCCCC1 CS-0136578 [0,1,0,1,0,0|2,0,0]=4 377 B9R2.49 C1CC2CCC1CN2 CS-0052039 [0,0,0,2,0,0|2,0,0]=4 378 B9R2.68 C1CC2CCC(C1)N2 CS-0049977 [0,0,0,2,0,0|2,0,0]=4 379 B9R2.174 C1CNCC2(C1)CC2 CS-0138597 [0,0,0,2,0,0|2,0,0]=4 380 B9R2.3 C1CC2CNCC2C1 CS-D1515 [0,0,0,2,0,0|2,0,0]=4 381 B9R2.3 [C@H]12CCC[C@H]1CNC2 CS-0047006 [0,0,0,2,0,0|2,0,0]=4