0 B5R0.2 BrCCCCBr CS-W020631 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 BrC\C=C\CBr CS-0005942 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 BrC\C=C\CBr CS-0017873 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 C#CCCCBr CS-0147349 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 C#CCCCCl CS-W009550 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.2 C#CCCCI CS-0088561 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.2 C#CCCCN CS-0038434 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.2 C#CCCCO CS-W011358 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.2 C=CCCCI CS-0135974 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.2 C=CCCNC CS-0197692 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.2 CCC#CCBr CS-0188171 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.2 CCC#CCO CS-0143646 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.2 CCCCON CS-0106180 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.2 CCNCCO CS-0076051 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.2 CCSCCN CS-0663845 [0,0,0,0,0,0|1,0,0]=1 15 B5R0.2 CC\C=C\C=O CS-0173472 [0,0,0,0,0,0|1,0,3]=4 16 B5R0.2 CNCCC#N CS-W011357 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.2 CNCCCCl CS-0150991 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.2 CNCCCO CS-W007469 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.2 COCCC#N CS-0030563 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.2 COCCCBr CS-W010945 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.2 COCCNN CS-0249520 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.2 CSCCCO CS-0015993 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.2 C\C=C\CCO CS-0162245 [0,0,0,0,0,0|1,0,1]=2 24 B5R0.2 ClCC#CCCl CS-W013542 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.2 ClCCCCBr CS-W017647 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.2 ClCCCCI CS-W019348 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.2 FCCCCBr CS-W018025 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.2 ICCCCI CS-W004871 [0,0,0,0,0,0|3,0,0]=3 29 B5R0.2 N#CCCCBr CS-W004123 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.2 N#CCCCCl CS-D1161 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.2 NCC#CCN CS-0073026 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.2 NCCCCBr CS-W005399 [0,0,0,0,0,0|3,0,0]=3 33 B5R0.2 NCCCCCl CS-0158355 [0,0,0,0,0,0|3,0,0]=3 34 B5R0.2 NCCCCO CS-W002041 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.2 NC\C=C/CCl CS-M0797 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.2 NC\C=C/CN CS-WAA0092 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.2 NC\C=C\CN CS-0374306 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.2 OCC#CCCl CS-0262802 [0,0,0,0,0,0|2,0,1]=3 39 B5R0.2 OCCCCBr CS-W000344 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.2 OCCCCCl CS-0022417 [0,0,0,0,0,0|2,0,0]=2 41 B5R0.2 OCCCCF CS-0116811 [0,0,0,0,0,0|2,0,0]=2 42 B5R0.2 OCCNCO CS-0203827 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.2 OC\C=C\CO CS-0130476 [0,0,0,0,0,0|2,0,1]=3 44 B5R0.2 OC\C=C\CO CS-B0322 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.2 [N-]=[N+]=NCCN CS-0644784 [0,0,0,0,0,0|4,0,0]=4 46 B4R0.2 BrCCCI CS-0199040 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 C#CCCBr CS-0147245 [1,0,0,0,0,0|1,0,2]=4 48 B4R0.2 C#CCCI CS-0088596 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.2 C#CCCN CS-0059198 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.2 C#CCCO CS-W001947 [1,0,0,0,0,0|0,0,2]=3 51 B4R0.2 C=CCCI CS-0139149 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.2 C=CCCN CS-0028781 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.2 CC#CCN CS-0307944 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.2 CC#CCO CS-B1382 [1,0,0,0,0,0|0,0,2]=3 55 B4R0.2 CCCCN CS-0214149 [1,0,0,0,0,0|1,0,0]=2 56 B4R0.2 CCCNN CS-0152064 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.2 CCNC=O CS-0187584 [1,0,0,0,0,0|1,0,2]=4 58 B4R0.2 CCNCC CS-0160324 [1,0,0,0,0,0|1,0,0]=2 59 B4R0.2 CCOC=N CS-0333913 [1,0,0,0,0,0|1,1,1]=4 60 B4R0.2 CNCC#N CS-W002073 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.2 CNCCBr CS-0042068 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.2 CNCCCl CS-W019383 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.2 CNCCO CS-0542090 [1,0,0,0,0,0|1,0,0]=2 64 B4R0.2 CNCCO CS-W008875 [1,0,0,0,0,0|1,0,0]=2 65 B4R0.2 COCC#N CS-0128800 [1,0,0,0,0,0|1,1,1]=4 66 B4R0.2 COCCBr CS-0015336 [1,0,0,0,0,0|1,1,0]=3 67 B4R0.2 COCCI CS-0139205 [1,0,0,0,0,0|1,1,0]=3 68 B4R0.2 COCCO CS-0179325 [1,0,0,0,0,0|0,1,0]=2 69 B4R0.2 COCCO CS-0200432 [1,0,0,0,0,0|0,1,0]=2 70 B4R0.2 CSCCN CS-0063136 [1,0,0,0,0,0|1,0,0]=2 71 B4R0.2 CSCCO CS-0150086 [1,0,0,0,0,0|0,0,0]=1 72 B4R0.2 CSCSC CS-W013673 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.2 ClCCCI CS-W018493 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.2 FCCCI CS-0121313 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.2 ICCCI CS-W012156 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.2 N#CCCI CS-0243866 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.2 N#CCCN CS-D1507 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 N#CCCO CS-W001263 [1,0,0,0,0,0|1,0,1]=3 79 B4R0.2 NCCCBr CS-W008585 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.2 NCCCCl CS-0015792 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.2 NCCCN CS-0214047 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.2 NCCCN CS-0214116 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.2 NCCCO CS-W020089 [1,0,0,0,0,0|1,0,0]=2 84 B4R0.2 NCCON CS-M2746 [1,0,0,0,0,0|2,1,0]=4 85 B4R0.2 NOCCO CS-W011361 [1,0,0,0,0,0|1,1,0]=3 86 B4R0.2 OCCCBr CS-W007337 [1,0,0,0,0,0|1,0,0]=2 87 B4R0.2 OCCCF CS-0170820 [1,0,0,0,0,0|1,0,0]=2 88 B4R0.2 OCCCI CS-W015993 [1,0,0,0,0,0|1,0,0]=2 89 B4R0.2 OCCCO CS-W018490 [1,0,0,0,0,0|1,0,0]=2 90 B6R0.1 C#CC(O)CCC CS-W016658 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.1 C=CCC(N)CO CS-0197807 [0,1,0,0,0,0|1,0,2]=4 92 B6R0.1 C=CC[C@@H](N)CO CS-0162183 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.1 CC(CO)CCN CS-0154050 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.1 CC(CO)CCO CS-0517219 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.1 CCC(=O)COC CS-0213932 [0,1,0,0,0,0|3,0,0]=4 96 B6R0.1 CCCC(Cl)CC CS-0102884 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.1 CCCC(N)C#N CS-0255763 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.1 CCCC(O)CO CS-0017222 [0,1,0,0,0,0|1,0,0]=2 99 B6R0.1 CCC[C@H](N)CO CS-M1841 [0,1,0,0,0,0|1,0,0]=2 100 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,1,0,0,0,0|1,0,0]=2 101 B6R0.1 CCNC(=O)CBr CS-0239382 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.1 CCOC(=O)CN CS-W020007 [0,1,0,0,0,0|1,1,1]=4 103 B6R0.1 CCOC(=O)CO CS-W019892 [0,1,0,0,0,0|0,1,1]=3 104 B6R0.1 CCOC(C)CC CS-0196425 [0,1,0,0,0,0|1,1,0]=3 105 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,1,0,0,0,0|1,1,1]=4 106 B6R0.1 CNC(=O)CCCl CS-0143787 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.1 CNC(=O)CCO CS-0188403 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.1 CNCC(O)CO CS-0151017 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.1 COC(=O)CCBr CS-W008728 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.1 COC(=O)CCCl CS-0131786 [0,1,0,0,0,0|3,0,0]=4 111 B6R0.1 COC(=O)CCI CS-0615889 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.1 COC(=O)CCN CS-W007648 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.1 COC(=O)CCO CS-0022864 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.1 COC(=O)CCS CS-0000049 [0,1,0,0,0,0|2,1,0]=4 115 B6R0.1 COC(C)CCO CS-W013686 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.1 COCC(N)CO CS-0106469 [0,1,0,0,0,0|2,0,0]=3 117 B6R0.1 COCC(O)CN CS-0106474 [0,1,0,0,0,0|3,0,0]=4 118 B6R0.1 O=C(CCl)NCO CS-0147071 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.1 OCCC(O)CO CS-0008443 [0,1,0,0,0,0|2,0,0]=3 120 B6R0.1 OCC[C@H](O)CO CS-0000034 [0,1,0,0,0,0|2,0,0]=3 121 B6R0.4 C=CCCC(C)O CS-0513969 [0,1,0,0,0,0|1,0,2]=4 122 B6R0.4 CC(=O)CCCCl CS-W013569 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.4 CC(=O)CCCO CS-0020001 [0,1,0,0,0,0|1,0,1]=3 124 B6R0.4 CC(=O)NCCO CS-W013689 [0,1,0,0,0,0|1,0,1]=3 125 B6R0.4 CC(=O)OCCBr CS-W007598 [0,1,0,0,0,0|1,1,1]=4 126 B6R0.4 CC(=O)OCCN CS-0657679 [0,1,0,0,0,0|1,1,1]=4 127 B6R0.4 CC(=O)OCCO CS-0154995 [0,1,0,0,0,0|0,1,1]=3 128 B6R0.4 CC(Br)CCCBr CS-0204659 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.4 CC(C)=CCCBr CS-0155165 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.4 CC(C)CCCBr CS-0154233 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.4 CC(C)CCCO CS-W007511 [0,1,0,0,0,0|1,0,0]=2 132 B6R0.4 CC(C)NCCCl CS-W006300 [0,1,0,0,0,0|2,0,0]=3 133 B6R0.4 CC(C)NCCN CS-0199017 [0,1,0,0,0,0|2,0,0]=3 134 B6R0.4 CC(C)NCCO CS-0076304 [0,1,0,0,0,0|1,0,0]=2 135 B6R0.4 CC(C)OCCBr CS-W018660 [0,1,0,0,0,0|1,1,0]=3 136 B6R0.4 CC(O)CCCO CS-0154051 [0,1,0,0,0,0|1,0,0]=2 137 B6R0.4 CCC#CC(=O)O CS-W013726 [0,1,0,0,0,0|1,0,2]=4 138 B6R0.4 CCCCB(O)O CS-W000932 [0,1,0,0,0,0|2,0,0]=3 139 B6R0.4 CCCCC(=N)N CS-0122242 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.4 CCCCC(N)=S CS-0248646 [0,1,0,0,0,0|1,1,1]=4 141 B6R0.4 CCCCS(=O)[O-] CS-0851776 [0,1,0,0,0,0|2,0,1]=4 142 B6R0.4 CCCC[C@@H](C)O CS-0179419 [0,1,0,0,0,0|1,0,0]=2 143 B6R0.4 CCCC[C@H](C)O CS-0179420 [0,1,0,0,0,0|1,0,0]=2 144 B6R0.4 CCCNC(C)=O CS-0246738 [0,1,0,0,0,0|2,0,1]=4 145 B6R0.4 CCNCC(=O)O CS-0201673 [0,1,0,0,0,0|1,0,1]=3 146 B6R0.4 CCNCC(C)C CS-0071534 [0,1,0,0,0,0|2,0,0]=3 147 B6R0.4 CCOCC(=O)O CS-0071579 [0,1,0,0,0,0|0,1,1]=3 148 B6R0.4 CCSCC(=O)O CS-0197336 [0,1,0,0,0,0|0,0,1]=2 149 B6R0.4 CC\C=C\C(=O)O CS-0053528 [0,1,0,0,0,0|1,0,2]=4 150 B6R0.4 CN(C)CCCBr CS-W003771 [0,1,0,0,0,0|3,0,0]=4 151 B6R0.4 CN(C)CCCCl CS-W004690 [0,1,0,0,0,0|3,0,0]=4 152 B6R0.4 CN(C)CCCCl CS-W019575 [0,1,0,0,0,0|3,0,0]=4 153 B6R0.4 CN(C)CCCN CS-0214111 [0,1,0,0,0,0|3,0,0]=4 154 B6R0.4 CNCCC(=O)O CS-0112815 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.4 CNCCC(=O)O CS-0169148 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.4 CNCCC(C)C CS-0039334 [0,1,0,0,0,0|3,0,0]=4 157 B6R0.4 COCCC(=O)O CS-W009112 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.4 CS(=O)CCCN CS-0286765 [0,1,0,0,0,0|3,0,0]=4 159 B6R0.4 CSCCC(=O)O CS-6296 [0,1,0,0,0,0|2,0,1]=4 160 B6R0.4 C[C@@H](N)CCCO CS-0634445 [0,1,0,0,0,0|1,0,0]=2 161 B6R0.4 C[C@H](N)CCCO CS-0652529 [0,1,0,0,0,0|1,0,0]=2 162 B6R0.4 C\C=C\CC(=O)O CS-0129103 [0,1,0,0,0,0|1,0,2]=4 163 B6R0.4 N=C(N)SCCN CS-0143720 [0,1,0,0,0,0|2,0,1]=4 164 B6R0.4 N=C(O)NCCO CS-W011301 [0,1,0,0,0,0|2,0,1]=4 165 B6R0.4 NCCCC(=O)O CS-W020704 [0,1,0,0,0,0|2,0,1]=4 166 B6R0.4 O=C(O)CCCBr CS-W016047 [0,1,0,0,0,0|2,0,1]=4 167 B6R0.4 O=C(O)CCCCl CS-W013545 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.4 O=[N+]([O-])CCCO CS-0209456 [0,1,0,0,0,0|3,0,0]=4 169 B6R0.6 BrCCCCCBr CS-W019956 [0,1,0,0,0,0|2,0,0]=3 170 B6R0.6 BrCCOCCBr CS-W014174 [0,1,0,0,0,0|1,1,0]=3 171 B6R0.6 C#CCCCCCl CS-0204489 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.6 C#CCCCCI CS-0088557 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.6 C#CCCCCN CS-0059697 [0,1,0,0,0,0|2,0,1]=4 174 B6R0.6 C#CCCCCN CS-0106594 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.6 C#CCCCCO CS-W016659 [0,1,0,0,0,0|1,0,1]=3 176 B6R0.6 C#CCOCCI CS-0514546 [0,1,0,0,0,0|1,1,1]=4 177 B6R0.6 C#CCOCCN CS-0063716 [0,1,0,0,0,0|1,1,1]=4 178 B6R0.6 C#CCOCCN CS-0199315 [0,1,0,0,0,0|1,1,1]=4 179 B6R0.6 C#CCOCCO CS-0086239 [0,1,0,0,0,0|0,1,1]=3 180 B6R0.6 C(CC)=CCCO CS-W009552 [0,1,0,0,0,0|1,0,0]=2 181 B6R0.6 C(CO)=CCCC CS-W016652 [0,1,0,0,0,0|1,0,1]=3 182 B6R0.6 C=C=CCCCO CS-1014365 [0,1,0,0,0,0|1,0,2]=4 183 B6R0.6 C=CCCCCBr CS-W008939 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.6 C=CCCCCN CS-0210385 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.6 C=CCCCCO CS-W013711 [0,1,0,0,0,0|1,0,1]=3 186 B6R0.6 C=CCOCCO CS-0157967 [0,1,0,0,0,0|0,1,1]=3 187 B6R0.6 C=COCCON CS-M0262 [0,1,0,0,0,0|0,1,2]=4 188 B6R0.6 CCC#CCCO CS-0040171 [0,1,0,0,0,0|1,0,0]=2 189 B6R0.6 CCCCCCI CS-0132388 [0,1,0,0,0,0|2,0,0]=3 190 B6R0.6 CCCCCCN CS-0196786 [0,1,0,0,0,0|2,0,0]=3 191 B6R0.6 CCCNCCC CS-0187381 [0,1,0,0,0,0|2,0,0]=3 192 B6R0.6 CCCNCCC CS-0214120 [0,1,0,0,0,0|2,0,0]=3 193 B6R0.6 CCCNCCO CS-0105782 [0,1,0,0,0,0|1,0,0]=2 194 B6R0.6 CCCOCCCl CS-0200392 [0,1,0,0,0,0|1,1,0]=3 195 B6R0.6 CCNCCCN CS-0151962 [0,1,0,0,0,0|2,0,0]=3 196 B6R0.6 CCOCCCO CS-W013685 [0,1,0,0,0,0|0,1,0]=2 197 B6R0.6 CC\C=C/CCO CS-W011323 [0,1,0,0,0,0|1,0,0]=2 198 B6R0.6 CNCCCCBr CS-0163109 [0,1,0,0,0,0|2,0,0]=3 199 B6R0.6 CNCCCCO CS-W006493 [0,1,0,0,0,0|1,0,0]=2 200 B6R0.6 COCCCCBr CS-W021313 [0,1,0,0,0,0|2,0,0]=3 201 B6R0.6 COCCCCCl CS-0039726 [0,1,0,0,0,0|2,0,0]=3 202 B6R0.6 COCCCCO CS-0150179 [0,1,0,0,0,0|1,0,0]=2 203 B6R0.6 CSCCCCO CS-0204406 [0,1,0,0,0,0|1,0,0]=2 204 B6R0.6 C\C=C\C=C\CO CS-W018413 [0,1,0,0,0,0|1,0,2]=4 205 B6R0.6 ClCCCCCBr CS-W016940 [0,1,0,0,0,0|2,0,0]=3 206 B6R0.6 ClCCCCCI CS-0135342 [0,1,0,0,0,0|2,0,0]=3 207 B6R0.6 ClCCNCCCl CS-W020124 [0,1,0,0,0,0|2,0,0]=3 208 B6R0.6 FCCCCCBr CS-W005161 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.6 ICCCCCI CS-0041009 [0,1,0,0,0,0|2,0,0]=3 210 B6R0.6 ICCOCCI CS-W011980 [0,1,0,0,0,0|1,1,0]=3 211 B6R0.6 N#CCCCCBr CS-D1429 [0,1,0,0,0,0|2,0,1]=4 212 B6R0.6 N#CCCCCCl CS-W022361 [0,1,0,0,0,0|2,0,1]=4 213 B6R0.6 N#CCOCCCl CS-0158721 [0,1,0,0,0,0|1,1,1]=4 214 B6R0.6 NCCCCCBr CS-0006784 [0,1,0,0,0,0|2,0,0]=3 215 B6R0.6 NCCCCCN CS-W017466 [0,1,0,0,0,0|2,0,0]=3 216 B6R0.6 NCCCCCO CS-W013687 [0,1,0,0,0,0|1,0,0]=2 217 B6R0.6 NCCNCCN CS-0498854 [0,1,0,0,0,0|2,0,0]=3 218 B6R0.6 NCCNCCO CS-W011299 [0,1,0,0,0,0|1,0,0]=2 219 B6R0.6 NCCOCCN CS-0114847 [0,1,0,0,0,0|1,1,0]=3 220 B6R0.6 NCCOCCN CS-0115750 [0,1,0,0,0,0|1,1,0]=3 221 B6R0.6 NCCOCCO CS-1013822 [0,1,0,0,0,0|0,1,0]=2 222 B6R0.6 NCCOCCO CS-1013830 [0,1,0,0,0,0|0,1,0]=2 223 B6R0.6 NCCOCCO CS-1014116 [0,1,0,0,0,0|0,1,0]=2 224 B6R0.6 NCCSCCN CS-W013570 [0,1,0,0,0,0|1,0,0]=2 225 B6R0.6 OCCCCCBr CS-0905394 [0,1,0,0,0,0|1,0,0]=2 226 B6R0.6 OCCCCCBr CS-W007393 [0,1,0,0,0,0|1,0,0]=2 227 B6R0.6 OCCCCCCl CS-0095410 [0,1,0,0,0,0|1,0,0]=2 228 B6R0.6 OCCCCCI CS-0252955 [0,1,0,0,0,0|1,0,0]=2 229 B6R0.6 OCCCCCO CS-W020635 [0,1,0,0,0,0|1,0,0]=2 230 B6R0.6 OCCNCCCl CS-0064563 [0,1,0,0,0,0|1,0,0]=2 231 B6R0.6 OCCOCCBr CS-0114928 [0,1,0,0,0,0|0,1,0]=2 232 B6R0.6 OCCOCCCl CS-0016058 [0,1,0,0,0,0|0,1,0]=2 233 B6R0.6 OCCOCCF CS-0199113 [0,1,0,0,0,0|0,1,0]=2 234 B6R0.6 OCCOCCI CS-0139452 [0,1,0,0,0,0|0,1,0]=2 235 B6R1.1 C1=CCNCC1 CS-W021272 [0,0,0,1,0,0|2,0,1]=4 236 B6R1.1 C1CCNNC1 CS-0038680 [0,0,0,1,0,0|3,0,0]=4 237 B6R1.1 C1CCONC1 CS-W000777 [0,0,0,1,0,0|2,0,0]=3 238 B6R1.1 C1CNCCN1 CS-0214091 [0,0,0,1,0,0|2,0,0]=3 239 B6R1.1 C1CNCCN1 CS-0214115 [0,0,0,1,0,0|2,0,0]=3 240 B6R1.1 C1CSCCN1 CS-W007359 [0,0,0,1,0,0|1,0,0]=2 241 B6R1.1 C1CSCCO1 CS-0155184 [0,0,0,1,0,0|0,0,0]=1 242 B6R1.1 C1CSCCS1 CS-0698377 [0,0,0,1,0,0|0,1,0]=2 243 B6R1.1 C1CSCSC1 CS-W001189 [0,0,0,1,0,0|2,0,0]=3 244 B6R1.2 BrC1CCNC1 CS-W005728 [0,0,0,1,0,0|2,0,0]=3 245 B6R1.2 BrC1CCOC1 CS-W004035 [0,0,0,1,0,0|1,1,0]=3 246 B6R1.2 CC1CCNC1 CS-W021968 [0,0,0,1,0,0|2,0,0]=3 247 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [0,0,0,1,0,0|2,0,0]=3 248 B6R1.2 C[C@H]1CCNC1 CS-0040457 [0,0,0,1,0,0|2,0,0]=3 249 B6R1.2 FC1CCNC1 CS-W005668 [0,0,0,1,0,0|2,0,0]=3 250 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [0,0,0,1,0,0|2,0,0]=3 251 B6R1.2 IC1CCCC1 CS-0067150 [0,0,0,1,0,0|2,0,0]=3 252 B6R1.2 IC1CCOC1 CS-W004266 [0,0,0,1,0,0|1,1,0]=3 253 B6R1.2 I[C@@H]1CCOC1 CS-0055199 [0,0,0,1,0,0|1,1,0]=3 254 B6R1.2 I[C@H]1CCOC1 CS-0053265 [0,0,0,1,0,0|1,1,0]=3 255 B6R1.2 N=C1CCCS1 CS-W016514 [0,0,0,1,0,0|2,0,1]=4 256 B6R1.2 NC1=NCCS1 CS-0074129 [0,0,0,1,0,0|2,0,1]=4 257 B6R1.2 NC1CC=CC1 CS-W022621 [0,0,0,1,0,0|2,0,1]=4 258 B6R1.2 NC1CCNC1 CS-W016190 [0,0,0,1,0,0|2,0,0]=3 259 B6R1.2 NC1CCOC1 CS-D1564 [0,0,0,1,0,0|1,1,0]=3 260 B6R1.2 NC1CCOC1 CS-W011353 [0,0,0,1,0,0|1,1,0]=3 261 B6R1.2 N[C@@H]1CCNC1 CS-W010887 [0,0,0,1,0,0|2,0,0]=3 262 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [0,0,0,1,0,0|1,1,0]=3 263 B6R1.2 N[C@H]1CCNC1 CS-W013278 [0,0,0,1,0,0|2,0,0]=3 264 B6R1.2 N[C@H]1CCOC1 CS-W019697 [0,0,0,1,0,0|1,1,0]=3 265 B6R1.2 O=C1CCNC1 CS-W005267 [0,0,0,1,0,0|1,0,2]=4 266 B6R1.2 O=C1CCOC1 CS-D1574 [0,0,0,1,0,0|0,1,2]=4 267 B6R1.2 O=C1CCSC1 CS-W011310 [0,0,0,1,0,0|0,0,2]=3 268 B6R1.2 O=C1NCCO1 CS-W007548 [0,0,0,1,0,0|2,0,1]=4 269 B6R1.2 O=C1NCCS1 CS-W023026 [0,0,0,1,0,0|2,0,1]=4 270 B6R1.2 O=S1CCCC1 CS-0207394 [0,0,0,1,0,0|2,0,1]=4 271 B6R1.2 O=S1OCCO1 CS-W013675 [0,0,0,1,0,0|2,1,0]=4 272 B6R1.2 OC1C=CCC1 CS-0451001 [0,0,0,1,0,0|1,0,1]=3 273 B6R1.2 OC1CC=CC1 CS-W002682 [0,0,0,1,0,0|1,0,1]=3 274 B6R1.2 OC1CCNC1 CS-W002985 [0,0,0,1,0,0|1,0,0]=2 275 B6R1.2 OC1CCNC1 CS-W022946 [0,0,0,1,0,0|1,0,0]=2 276 B6R1.2 OC1CCOC1 CS-M0786 [0,0,0,1,0,0|0,1,0]=2 277 B6R1.2 OC1CCSC1 CS-0185375 [0,0,0,1,0,0|0,0,0]=1 278 B6R1.2 OC1CNOC1 CS-0271204 [0,0,0,1,0,0|1,1,0]=3 279 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [0,0,0,1,0,0|1,0,0]=2 280 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [0,0,0,1,0,0|1,0,0]=2 281 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,0,0,1,0,0|0,1,0]=2 282 B6R1.2 O[C@H]1CCNC1 CS-M0906 [0,0,0,1,0,0|1,0,0]=2 283 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,0,0,1,0,0|1,0,0]=2 284 B6R1.2 O[C@H]1CCOC1 CS-D0600 [0,0,0,1,0,0|0,1,0]=2 285 B6R1.2 O[C@H]1CNOC1 CS-0060087 [0,0,0,1,0,0|1,1,0]=3 286 B6R1.2 S=C1NCCO1 CS-0097403 [0,0,0,1,0,0|2,0,1]=4 287 B6R1.2 S=C1NCCS1 CS-0008464 [0,0,0,1,0,0|2,0,1]=4 288 B6R1.2 S=C1SCCS1 CS-0317149 [0,0,0,1,0,0|1,1,1]=4 289 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [0,0,0,1,0,0|2,0,0]=3 290 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [0,0,0,1,0,0|2,0,0]=3 291 B6R1.3 BrCCC1CO1 CS-0158422 [0,0,0,1,0,0|2,0,0]=3 292 B6R1.3 CCNC1CC1 CS-0046972 [0,0,0,1,0,0|2,0,0]=3 293 B6R1.3 CNCC1CC1 CS-0045377 [0,0,0,1,0,0|3,0,0]=4 294 B6R1.3 COC[C@H]1CO1 CS-0165613 [0,0,0,1,0,0|2,0,0]=3 295 B6R1.3 ICCC1CC1 CS-0012702 [0,0,0,1,0,0|2,0,0]=3 296 B6R1.3 N#CCC1CC1 CS-0051913 [0,0,0,1,0,0|2,0,1]=4 297 B6R1.3 NCCC1CC1 CS-W006511 [0,0,0,1,0,0|2,0,0]=3 298 B6R1.3 NOCC1CC1 CS-W019324 [0,0,0,1,0,0|3,0,0]=4 299 B6R1.3 OCCC1CC1 CS-W016679 [0,0,0,1,0,0|1,0,0]=2 300 B6R1.3 OCCN1CC1 CS-W023058 [0,0,0,1,0,0|1,0,0]=2 301 B6R1.3 OCC[C@@H]1CO1 CS-0057154 [0,0,0,1,0,0|2,0,0]=3 302 B6R1.4 CC1OCC1=O CS-0051833 [0,0,0,1,0,0|0,1,2]=4 303 B6R1.4 C[C@@H]1NC[C@@H]1O CS-0172767 [0,0,0,1,0,0|1,0,0]=2 304 B6R1.4 NC1CCC1F CS-0505919 [0,0,0,1,0,0|3,0,0]=4 305 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [0,0,0,1,0,0|2,0,0]=3 306 B6R1.6 BrCC1CCC1 CS-0015296 [0,0,0,1,0,0|2,0,0]=3 307 B6R1.6 BrCC1COC1 CS-W018850 [0,0,0,1,0,0|3,0,0]=4 308 B6R1.6 CNC1CCC1 CS-0054580 [0,0,0,1,0,0|3,0,0]=4 309 B6R1.6 FCC1CNC1 CS-0085106 [0,0,0,1,0,0|3,0,0]=4 310 B6R1.6 ICC1CCC1 CS-0053096 [0,0,0,1,0,0|2,0,0]=3 311 B6R1.6 ICC1CCO1 CS-0052227 [0,0,0,1,0,0|1,1,0]=3 312 B6R1.6 ICC1COC1 CS-0045504 [0,0,0,1,0,0|3,0,0]=4 313 B6R1.6 N#CC1CCC1 CS-0007644 [0,0,0,1,0,0|2,0,1]=4 314 B6R1.6 NCC1CCC1 CS-W004986 [0,0,0,1,0,0|2,0,0]=3 315 B6R1.6 NCC1CCO1 CS-0048767 [0,0,0,1,0,0|1,1,0]=3 316 B6R1.6 NCC1CNC1 CS-W022574 [0,0,0,1,0,0|3,0,0]=4 317 B6R1.6 NCC1COC1 CS-W008698 [0,0,0,1,0,0|3,0,0]=4 318 B6R1.6 NC[C@@H]1CCO1 CS-0100100 [0,0,0,1,0,0|1,1,0]=3 319 B6R1.6 NNC1CCC1 CS-0054590 [0,0,0,1,0,0|3,0,0]=4 320 B6R1.6 NNC1CCC1 CS-D1710 [0,0,0,1,0,0|3,0,0]=4 321 B6R1.6 OCC1CCC1 CS-W001922 [0,0,0,1,0,0|1,0,0]=2 322 B6R1.6 OCC1CCN1 CS-0049913 [0,0,0,1,0,0|1,0,0]=2 323 B6R1.6 OCC1CCO1 CS-W019194 [0,0,0,1,0,0|0,1,0]=2 324 B6R1.6 OCC1CNC1 CS-D1756 [0,0,0,1,0,0|2,0,0]=3 325 B6R1.8 C=C1CC1CO CS-0054284 [0,0,0,1,0,0|1,0,2]=4 326 B3R0.1 CCCN CS-0079898 [2,0,0,0,0,0|1,0,0]=3 327 B3R0.1 CCCN CS-0203559 [2,0,0,0,0,0|1,0,0]=3 328 B3R0.1 CCC[O-] CS-0636169 [2,0,0,0,0,0|0,0,1]=3 329 B3R0.1 CCNC CS-0158300 [2,0,0,0,0,0|1,0,0]=3 330 B3R0.1 CCNN CS-0151959 [2,0,0,0,0,0|2,0,0]=4 331 B3R0.1 CCNN CS-0160233 [2,0,0,0,0,0|2,0,0]=4 332 B3R0.1 CCNO CS-0370696 [2,0,0,0,0,0|1,0,0]=3 333 B3R0.1 CCON CS-0017502 [2,0,0,0,0,0|1,1,0]=4 334 B3R0.1 CCON CS-W011335 [2,0,0,0,0,0|1,1,0]=4 335 B3R0.1 CNNC CS-0530458 [2,0,0,0,0,0|2,0,0]=4 336 B3R0.1 CNOC CS-D1361 [2,0,0,0,0,0|1,1,0]=4 337 B3R0.1 C[Se][Se]C CS-0199215 [2,0,0,0,0,0|1,1,0]=4 338 B3R0.1 ICCI CS-0143351 [2,0,0,0,0,0|2,0,0]=4 339 B3R0.1 NCCBr CS-W008659 [2,0,0,0,0,0|2,0,0]=4 340 B3R0.1 NCCCl CS-W013617 [2,0,0,0,0,0|2,0,0]=4 341 B3R0.1 NCCF CS-W007788 [2,0,0,0,0,0|2,0,0]=4 342 B3R0.1 NCCO CS-0088236 [2,0,0,0,0,0|1,0,0]=3 343 B3R0.1 NCCS CS-2800 [2,0,0,0,0,0|1,0,0]=3 344 B3R0.1 OCCI CS-W017637 [2,0,0,0,0,0|1,0,0]=3 345 B3R0.1 OCCO CS-0015059 [2,0,0,0,0,0|0,1,0]=3 346 B3R0.1 OCCO CS-0015844 [2,0,0,0,0,0|0,1,0]=3 347 B3R0.1 OCCO CS-0676146 [2,0,0,0,0,0|0,1,0]=3 348 B3R0.1 OCCO CS-0864542 [2,0,0,0,0,0|0,1,0]=3 349 B3R0.1 OCCO CS-0907650 [2,0,0,0,0,0|0,1,0]=3 350 B3R0.1 OCCO CS-0998158 [2,0,0,0,0,0|0,1,0]=3 351 B3R0.1 OCCO CS-1053456 [2,0,0,0,0,0|0,1,0]=3 352 B5R0.1 C=CC[C@H](C)O CS-0081915 [1,1,0,0,0,0|0,0,2]=4 353 B5R0.1 CC(=O)CCCl CS-W022162 [1,1,0,0,0,0|1,0,1]=4 354 B5R0.1 CC(=O)CCN CS-0209803 [1,1,0,0,0,0|1,0,1]=4 355 B5R0.1 CC(=O)NCO CS-0061075 [1,1,0,0,0,0|1,0,1]=4 356 B5R0.1 CC(C)=CCO CS-W013751 [1,1,0,0,0,0|0,0,2]=4 357 B5R0.1 CC(C)CNN CS-0067938 [1,1,0,0,0,0|2,0,0]=4 358 B5R0.1 CC(C)CON CS-0136014 [1,1,0,0,0,0|2,0,0]=4 359 B5R0.1 CC(C)\C=N\O CS-W000111 [1,1,0,0,0,0|1,0,1]=4 360 B5R0.1 CC(N)CCO CS-W004841 [1,1,0,0,0,0|0,0,0]=2 361 B5R0.1 CC(O)CC#N CS-0261013 [1,1,0,0,0,0|1,0,1]=4 362 B5R0.1 CC(O)CCBr CS-0142519 [1,1,0,0,0,0|1,0,0]=3 363 B5R0.1 CC(O)CCO CS-0115644 [1,1,0,0,0,0|0,0,0]=2 364 B5R0.1 CCCB(O)O CS-W007470 [1,1,0,0,0,0|1,0,0]=3 365 B5R0.1 CCCC(=N)N CS-W013544 [1,1,0,0,0,0|1,0,1]=4 366 B5R0.1 CCCC(=O)O CS-0977378 [1,1,0,0,0,0|0,0,1]=3 367 B5R0.1 CCCC(N)=O CS-0130522 [1,1,0,0,0,0|0,0,2]=4 368 B5R0.1 CCC[C@@H](C)N CS-0162182 [1,1,0,0,0,0|1,0,0]=3 369 B5R0.1 CCC[C@H](C)N CS-W006528 [1,1,0,0,0,0|1,0,0]=3 370 B5R0.1 CCOC(C)=N CS-W008601 [1,1,0,0,0,0|0,1,1]=4 371 B5R0.1 CCSC(=N)N CS-0021039 [1,1,0,0,0,0|1,0,1]=4 372 B5R0.1 CN(C)CCBr CS-W004693 [1,1,0,0,0,0|2,0,0]=4 373 B5R0.1 CNCC(=O)O CS-W013507 [1,1,0,0,0,0|1,0,1]=4 374 B5R0.1 CNCC(=O)O CS-W018511 [1,1,0,0,0,0|1,0,1]=4 375 B5R0.1 CNCC(C)O CS-0216704 [1,1,0,0,0,0|1,0,0]=3 376 B5R0.1 COCC(=O)O CS-W020123 [1,1,0,0,0,0|0,1,1]=4 377 B5R0.1 COC[C@@H](C)N CS-W019198 [1,1,0,0,0,0|1,1,0]=4 378 B5R0.1 COC[C@H](C)N CS-0148795 [1,1,0,0,0,0|1,1,0]=4 379 B5R0.1 COC[C@H](C)O CS-0031378 [1,1,0,0,0,0|0,1,0]=3 380 B5R0.1 CSCC(=O)O CS-0015159 [1,1,0,0,0,0|0,0,1]=3 381 B5R0.1 CSCC(N)=O CS-0150088 [1,1,0,0,0,0|0,0,2]=4 382 B5R0.1 CSCS(C)=O CS-0146450 [1,1,0,0,0,0|1,0,1]=4 383 B5R0.1 C[C@@H](N)CC#N CS-0127883 [1,1,0,0,0,0|1,0,1]=4 384 B5R0.1 C[C@@H](N)CCO CS-W013746 [1,1,0,0,0,0|0,0,0]=2 385 B5R0.1 C[C@@H](O)CCO CS-M1638 [1,1,0,0,0,0|0,0,0]=2 386 B5R0.1 C[C@H](N)CC#N CS-0127884 [1,1,0,0,0,0|1,0,1]=4 387 B5R0.1 C[C@H](N)CCO CS-W019851 [1,1,0,0,0,0|0,0,0]=2 388 B5R0.1 C[C@H](O)CCO CS-W016671 [1,1,0,0,0,0|0,0,0]=2 389 B5R0.1 N=C(O)CCN CS-W007497 [1,1,0,0,0,0|1,0,1]=4 390 B5R0.1 NC(=O)CCO CS-0205185 [1,1,0,0,0,0|1,0,1]=4 391 B5R0.1 NCCC(=O)O CS-0668359 [1,1,0,0,0,0|1,0,1]=4 392 B5R0.1 NCCC(=O)O CS-W020126 [1,1,0,0,0,0|1,0,1]=4 393 B5R0.1 NCCS(=O)O CS-6985 [1,1,0,0,0,0|2,0,0]=4 394 B5R0.1 O=C(O)CCF CS-0038385 [1,1,0,0,0,0|1,0,1]=4 395 B5R0.1 O=C(O)CCI CS-0204563 [1,1,0,0,0,0|1,0,1]=4 396 B5R0.1 O=C(O)CCO CS-0147832 [1,1,0,0,0,0|1,0,1]=4 397 B5R0.1 O=[N+]([O-])CCO CS-W013741 [1,1,0,0,0,0|2,0,0]=4 398 B5R0.1 OCCC(F)F CS-0185412 [1,1,0,0,0,0|1,0,0]=3 399 B5R0.3 C=C(CO)CO CS-W009247 [1,1,0,0,0,0|1,0,1]=4 400 B5R0.3 C=CC(O)CO CS-W016675 [1,1,0,0,0,0|0,0,2]=4 401 B5R0.3 C=C[C@@H](N)CO CS-0089925 [1,1,0,0,0,0|0,0,2]=4 402 B5R0.3 C=C[C@H](N)CO CS-0088065 [1,1,0,0,0,0|0,0,2]=4 403 B5R0.3 CC(CBr)CBr CS-0154074 [1,1,0,0,0,0|2,0,0]=4 404 B5R0.3 CC(CCl)CBr CS-0204235 [1,1,0,0,0,0|2,0,0]=4 405 B5R0.3 CC(CN)CO CS-0447291 [1,1,0,0,0,0|1,0,0]=3 406 B5R0.3 CC(CO)CBr CS-0139638 [1,1,0,0,0,0|1,0,0]=3 407 B5R0.3 CC(CO)CO CS-0021060 [1,1,0,0,0,0|1,0,0]=3 408 B5R0.3 CCC(=N)NO CS-D0340 [1,1,0,0,0,0|1,0,1]=4 409 B5R0.3 CCC(=O)CBr CS-0131119 [1,1,0,0,0,0|1,0,1]=4 410 B5R0.3 CCC(=O)CN CS-W005374 [1,1,0,0,0,0|1,0,1]=4 411 B5R0.3 CCC(=O)CO CS-W005327 [1,1,0,0,0,0|0,0,1]=3 412 B5R0.3 CCC(=O)NC CS-0179730 [1,1,0,0,0,0|2,0,0]=4 413 B5R0.3 CCC(Br)CC CS-0015742 [1,1,0,0,0,0|1,0,0]=3 414 B5R0.3 CCC(C)C#N CS-0648856 [1,1,0,0,0,0|1,0,1]=4 415 B5R0.3 CCC(C)C#N CS-0649016 [1,1,0,0,0,0|1,0,1]=4 416 B5R0.3 CCC(C)C#N CS-0649019 [1,1,0,0,0,0|1,0,1]=4 417 B5R0.3 CCC(N)C#N CS-0197521 [1,1,0,0,0,0|1,0,1]=4 418 B5R0.3 CCC(N)CC CS-0128806 [1,1,0,0,0,0|1,0,0]=3 419 B5R0.3 CCC(O)CC CS-0128838 [1,1,0,0,0,0|1,0,0]=3 420 B5R0.3 CCC(O)CN CS-0109319 [1,1,0,0,0,0|1,0,0]=3 421 B5R0.3 CCS(=O)CC CS-0199213 [1,1,0,0,0,0|0,0,1]=3 422 B5R0.3 CC[C@@H](C)CBr CS-0539690 [1,1,0,0,0,0|1,0,0]=3 423 B5R0.3 CC[C@@H](N)CO CS-W020734 [1,1,0,0,0,0|0,0,0]=2 424 B5R0.3 CC[C@H](C)CO CS-0139702 [1,1,0,0,0,0|0,0,0]=2 425 B5R0.3 CC[C@H](N)CO CS-W013745 [1,1,0,0,0,0|0,0,0]=2 426 B5R0.3 CC[C@H](O)CO CS-0031373 [1,1,0,0,0,0|0,0,0]=2 427 B5R0.3 CNC(C)CO CS-0197105 [1,1,0,0,0,0|1,0,0]=3 428 B5R0.3 CN[C@@H](C)CO CS-0139480 [1,1,0,0,0,0|1,0,0]=3 429 B5R0.3 CN[C@@H](C)CO CS-0162089 [1,1,0,0,0,0|1,0,0]=3 430 B5R0.3 CN[C@H](C)CO CS-0162211 [1,1,0,0,0,0|1,0,0]=3 431 B5R0.3 COC(=O)CO CS-W004068 [1,1,0,0,0,0|0,1,1]=4 432 B5R0.3 CO[C@@H](C)CN CS-W021167 [1,1,0,0,0,0|1,1,0]=4 433 B5R0.3 CO[C@@H](C)CO CS-0096324 [1,1,0,0,0,0|0,1,0]=3 434 B5R0.3 CO[C@H](C)CN CS-0148788 [1,1,0,0,0,0|1,1,0]=4 435 B5R0.3 CO[C@H](C)CN CS-0613352 [1,1,0,0,0,0|1,1,0]=4 436 B5R0.3 CO[C@H](C)CO CS-W011349 [1,1,0,0,0,0|0,1,0]=3 437 B5R0.3 C[C@@H](CO)CBr CS-0101486 [1,1,0,0,0,0|1,0,0]=3 438 B5R0.3 NC(CO)CO CS-W007357 [1,1,0,0,0,0|1,0,0]=3 439 B5R0.3 NC(CO)CO CS-W011141 [1,1,0,0,0,0|1,0,0]=3 440 B5R0.3 NCC(O)CCl CS-W006320 [1,1,0,0,0,0|2,0,0]=4 441 B5R0.3 NCC(O)CN CS-W007600 [1,1,0,0,0,0|2,0,0]=4 442 B5R0.3 NCC(O)CO CS-W002040 [1,1,0,0,0,0|1,0,0]=3 443 B5R0.3 NC[C@@H](F)CO CS-0053486 [1,1,0,0,0,0|1,0,0]=3 444 B5R0.3 NC[C@@H](O)CCl CS-0162224 [1,1,0,0,0,0|2,0,0]=4 445 B5R0.3 NC[C@@H](O)CO CS-W002683 [1,1,0,0,0,0|1,0,0]=3 446 B5R0.3 NC[C@H](F)CO CS-0053431 [1,1,0,0,0,0|1,0,0]=3 447 B5R0.3 NC[C@H](O)CCl CS-W021152 [1,1,0,0,0,0|2,0,0]=4 448 B5R0.3 O=C(CO)CO CS-W019614 [1,1,0,0,0,0|1,0,1]=4 449 B5R0.3 O=CC(O)CO CS-0102543 [1,1,0,0,0,0|1,0,1]=4 450 B5R0.3 OC(CBr)CBr CS-W014808 [1,1,0,0,0,0|2,0,0]=4 451 B5R0.3 OCC(Cl)CO CS-0640889 [1,1,0,0,0,0|1,0,0]=3 452 B5R0.3 OCC(O)CBr CS-W018026 [1,1,0,0,0,0|1,0,0]=3 453 B5R0.3 OCC(O)CO CS-6964 [1,1,0,0,0,0|1,0,0]=3 454 B5R0.3 OCC(O)CS CS-W011288 [1,1,0,0,0,0|1,0,0]=3 455 B5R0.3 OCC(S)CS CS-0013059 [1,1,0,0,0,0|1,0,0]=3 456 B5R0.3 OC[C@@H](O)CCl CS-W018500 [1,1,0,0,0,0|1,0,0]=3 457 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [1,1,0,0,0,0|0,0,0]=2 458 B5R0.3 [C@H](O)(CN)CO CS-W017771 [1,1,0,0,0,0|1,0,0]=3 459 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [1,1,0,0,0,0|1,0,0]=3 460 B7R0.2 CC(C)CC(N)CO CS-W021562 [0,2,0,0,0,0|1,0,0]=3 461 B7R0.2 CC(C)C[C@H](N)CO CS-W016592 [0,2,0,0,0,0|1,0,0]=3 462 B7R0.2 CCC(C)CC(=O)O CS-W011229 [0,2,0,0,0,0|1,0,1]=4 463 B7R0.2 CCC(C)CC(C)N CS-W016309 [0,2,0,0,0,0|2,0,0]=4 464 B7R0.2 CCC(N)CC(=O)O CS-W021843 [0,2,0,0,0,0|1,0,1]=4 465 B7R0.2 CCN(C)CC(=O)O CS-0144155 [0,2,0,0,0,0|1,0,1]=4 466 B7R0.2 CC[C@H](C)CC(=O)O CS-W002937 [0,2,0,0,0,0|1,0,1]=4 467 B7R0.2 CN(C)CC(O)CO CS-W016584 [0,2,0,0,0,0|2,0,0]=4 468 B7R0.2 [C@@H](C)(O)CC(=O)OC CS-W013601 [0,2,0,0,0,0|2,0,0]=4 469 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [0,2,0,0,0,0|2,0,0]=4 470 B7R0.2 [C@H](N)(CO)CC(C)C CS-W013604 [0,2,0,0,0,0|1,0,0]=3 471 B7R0.3 C#CC(O)CCCC CS-W011267 [0,2,0,0,0,0|1,0,0]=3 472 B7R0.3 CCCCC(=O)O[Na] CS-W007087 [0,2,0,0,0,0|1,0,1]=4 473 B7R0.3 CCCCC(O)CO CS-W013596 [0,2,0,0,0,0|1,0,0]=3 474 B7R0.3 CCCC[C@@H](N)CO CS-0089933 [0,2,0,0,0,0|1,0,0]=3 475 B7R0.3 CCCC[C@@H](N)CO CS-0162184 [0,2,0,0,0,0|1,0,0]=3 476 B7R0.3 CCCC\C(O)=N\N CS-W013606 [0,2,0,0,0,0|1,0,1]=4 477 B7R0.3 CCOCC(O)CO CS-0151429 [0,2,0,0,0,0|0,1,0]=3 478 B7R0.3 COCCC(=O)OC CS-0072438 [0,2,0,0,0,0|2,0,0]=4 479 B7R0.3 CSCC[C@H](N)CO CS-0020145 [0,2,0,0,0,0|1,0,0]=3 480 B7R0.3 C[C@@H](CN)CCCO CS-0368510 [0,2,0,0,0,0|1,0,0]=3 481 B7R0.5 CC(=O)N(C)CCO CS-0112257 [0,2,0,0,0,0|1,0,1]=4 482 B7R0.5 CCCC(C)C(=O)O CS-W011232 [0,2,0,0,0,0|1,0,1]=4 483 B7R0.5 CCCC(N)C(=O)O CS-W011226 [0,2,0,0,0,0|1,0,1]=4 484 B7R0.5 CCC[C@@H](N)C(=O)O CS-0015963 [0,2,0,0,0,0|1,0,1]=4 485 B7R0.5 CCC[C@H](N)C(=O)O CS-D1371 [0,2,0,0,0,0|1,0,1]=4 486 B7R0.5 CCC[C@H](O)C(=O)O CS-W007126 [0,2,0,0,0,0|1,0,1]=4 487 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [0,2,0,0,0,0|0,1,1]=4 488 B7R0.7 C#CCN(C)CCO CS-0198423 [0,2,0,0,0,0|1,0,1]=4 489 B7R0.7 CC(CCBr)CCBr CS-0182622 [0,2,0,0,0,0|2,0,0]=4 490 B7R0.7 CC(CCO)CCO CS-0188324 [0,2,0,0,0,0|1,0,0]=3 491 B7R0.7 CCCC(Br)CCC CS-0106173 [0,2,0,0,0,0|2,0,0]=4 492 B7R0.7 CCCC(O)CCC CS-0132313 [0,2,0,0,0,0|2,0,0]=4 493 B7R0.7 CCC[C@H](N)CCO CS-0152589 [0,2,0,0,0,0|1,0,0]=3 494 B7R0.7 CCNC(=O)CCCl CS-0151980 [0,2,0,0,0,0|2,0,0]=4 495 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,2,0,0,0,0|1,1,0]=4 496 B7R0.7 CCOC(=O)CCI CS-W002223 [0,2,0,0,0,0|1,1,0]=4 497 B7R0.7 CCOC(=O)CCN CS-W019943 [0,2,0,0,0,0|1,1,0]=4 498 B7R0.7 CCOC(=O)CCO CS-0139545 [0,2,0,0,0,0|0,1,0]=3 499 B7R0.7 CCOC(=O)COC CS-0008463 [0,2,0,0,0,0|0,1,1]=4 500 B7R0.7 CN(CCN)CCN CS-0151248 [0,2,0,0,0,0|2,0,0]=4 501 B7R0.7 COCC(N)COC CS-W005488 [0,2,0,0,0,0|2,0,0]=4 502 B7R0.7 COCC(O)COC CS-W018661 [0,2,0,0,0,0|2,0,0]=4 503 B7R0.7 O=C(CCCl)CCCl CS-W004439 [0,2,0,0,0,0|2,0,0]=4 504 B7R0.7 OCCC(O)CCO CS-0469963 [0,2,0,0,0,0|1,0,0]=3 505 B7R0.10 COC(=O)C(Br)CO CS-0187469 [0,2,0,0,0,0|2,0,0]=4 506 B7R0.10 COC(=O)C(C)CO CS-0697290 [0,2,0,0,0,0|2,0,0]=4 507 B7R0.10 COC(=O)C(N)CO CS-W014338 [0,2,0,0,0,0|2,0,0]=4 508 B7R0.10 COC(=O)C(O)CO CS-0454216 [0,2,0,0,0,0|2,0,0]=4 509 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [0,2,0,0,0,0|2,0,0]=4 510 B7R0.10 COC(=O)[C@@H](N)CO CS-B1301 [0,2,0,0,0,0|2,0,0]=4 511 B7R0.10 COC(=O)[C@@H](O)CO CS-W000794 [0,2,0,0,0,0|2,0,0]=4 512 B7R0.10 COC(=O)[C@H](C)CO CS-0019967 [0,2,0,0,0,0|2,0,0]=4 513 B7R0.10 COC(=O)[C@H](O)CO CS-W023221 [0,2,0,0,0,0|2,0,0]=4 514 B7R0.10 OC[C@H](O)[C@H](O)CO CS-0019695 [0,2,0,0,0,0|2,0,0]=4 515 B7R0.10 OC[C@H](O)[C@H](O)CO CS-0890220 [0,2,0,0,0,0|2,0,0]=4 516 B7R0.10 [C@@H](N)(CO)C(=O)OC CS-W016249 [0,2,0,0,0,0|2,0,0]=4 517 B7R0.10 [C@H](C)(CC)[C@H](N)CO CS-W016591 [0,2,0,0,0,0|1,0,0]=3 518 B7R0.11 COC(C)(C)CCO CS-0132453 [0,2,0,0,0,0|2,0,0]=4 519 B7R0.11 C[N+](C)(CI)CCO CS-0188274 [0,2,0,0,0,0|2,0,0]=4 520 B7R0.12 CCCC(CO)CO CS-W011220 [0,2,0,0,0,0|1,0,0]=3 521 B7R0.12 CCN(CC)CCBr CS-0076417 [0,2,0,0,0,0|2,0,0]=4 522 B7R0.12 CCN(CC)CCO CS-W010936 [0,2,0,0,0,0|1,0,0]=3 523 B7R0.4 CC(=O)CCCCCl CS-W013363 [0,2,0,0,0,0|2,0,0]=4 524 B7R0.4 CC(C)CCCCBr CS-0154231 [0,2,0,0,0,0|2,0,0]=4 525 B7R0.4 CC(C)CCCCO CS-W011227 [0,2,0,0,0,0|1,0,0]=3 526 B7R0.4 CC(O)CCCCO CS-0572924 [0,2,0,0,0,0|1,0,0]=3 527 B7R0.4 CC(O)CSCCO CS-0159777 [0,2,0,0,0,0|0,0,0]=2 528 B7R0.4 CCCCCB(O)O CS-W018820 [0,2,0,0,0,0|1,0,0]=3 529 B7R0.4 CCCCCC(C)O CS-W016595 [0,2,0,0,0,0|1,0,0]=3 530 B7R0.4 CCCCC[C@@H](C)O CS-0152365 [0,2,0,0,0,0|1,0,0]=3 531 B7R0.4 CCCCC[C@H](C)O CS-0179417 [0,2,0,0,0,0|1,0,0]=3 532 B7R0.4 CCCNCC(=O)O CS-0250530 [0,2,0,0,0,0|1,0,1]=4 533 B7R0.4 CCCOCC(=O)O CS-0152048 [0,2,0,0,0,0|0,1,1]=4 534 B7R0.4 CCCSCC(=O)O CS-0651549 [0,2,0,0,0,0|0,0,1]=3 535 B7R0.4 CC\C=C\CC(=O)O CS-W011248 [0,2,0,0,0,0|1,0,1]=4 536 B7R0.4 CN(C)CCCCCl CS-0059660 [0,2,0,0,0,0|2,0,0]=4 537 B7R0.4 CN(C)CCCCN CS-0206346 [0,2,0,0,0,0|2,0,0]=4 538 B7R0.4 CN(C)CCCCN CS-0669419 [0,2,0,0,0,0|2,0,0]=4 539 B7R0.4 CN(C)CCCCO CS-W022016 [0,2,0,0,0,0|1,0,0]=3 540 B7R0.4 CNCCCC(=O)O CS-0096860 [0,2,0,0,0,0|1,0,1]=4 541 B7R0.4 CNCCCC(=O)O CS-0133777 [0,2,0,0,0,0|1,0,1]=4 542 B7R0.4 COCCCC(=O)O CS-W001021 [0,2,0,0,0,0|1,0,1]=4 543 B7R0.4 C\C=C\CCC(=O)O CS-0232064 [0,2,0,0,0,0|1,0,1]=4 544 B7R0.4 NCCCCC(=O)O CS-0181832 [0,2,0,0,0,0|1,0,1]=4 545 B7R0.4 NCCCCC(=O)O CS-W016594 [0,2,0,0,0,0|1,0,1]=4 546 B7R0.4 NCCNCC(=O)O CS-W013599 [0,2,0,0,0,0|1,0,1]=4 547 B7R0.4 NCCOCC(=O)O CS-0115741 [0,2,0,0,0,0|0,1,1]=4 548 B7R0.4 NCCOCC(=O)O CS-0115743 [0,2,0,0,0,0|0,1,1]=4 549 B7R0.4 NCCOCC(=O)O CS-0127947 [0,2,0,0,0,0|0,1,1]=4 550 B7R0.4 O=C(O)CCCCBr CS-W017172 [0,2,0,0,0,0|1,0,1]=4 551 B7R0.4 O=C(O)CCCCCl CS-W022362 [0,2,0,0,0,0|1,0,1]=4 552 B7R0.4 O=C(O)CNCCO CS-0158315 [0,2,0,0,0,0|1,0,1]=4 553 B7R0.4 O=C(O)COCCBr CS-0105329 [0,2,0,0,0,0|0,1,1]=4 554 B7R0.4 O=C(O)COCCCl CS-W006556 [0,2,0,0,0,0|0,1,1]=4 555 B7R0.4 O=C(O)COCCS CS-0115755 [0,2,0,0,0,0|0,1,1]=4 556 B7R0.4 O=C(O)COCCS CS-0115757 [0,2,0,0,0,0|0,1,1]=4 557 B7R0.4 O=C([O-])COCCO CS-0158309 [0,2,0,0,0,0|0,1,1]=4 558 B7R0.6 CC(=O)SCC(=O)O CS-0083252 [0,2,0,0,0,0|0,0,2]=4 559 B7R0.6 CC(C)CCB(O)O CS-0154235 [0,2,0,0,0,0|2,0,0]=4 560 B7R0.6 CC(C)CCC(=O)O CS-W016598 [0,2,0,0,0,0|1,0,1]=4 561 B7R0.6 CC(C)CCC(C)O CS-0225168 [0,2,0,0,0,0|1,0,0]=3 562 B7R0.6 CC(C)OCC(=O)O CS-0005425 [0,2,0,0,0,0|0,1,1]=4 563 B7R0.6 CC(N)CCC(=O)O CS-0276521 [0,2,0,0,0,0|1,0,1]=4 564 B7R0.6 CC(O)CCC(C)O CS-0377979 [0,2,0,0,0,0|1,0,0]=3 565 B7R0.6 C[C@@H](O)CC[C@@H](C)O CS-0040431 [0,2,0,0,0,0|1,0,0]=3 566 B7R0.6 C[C@H](N)CCC(=O)O CS-0529054 [0,2,0,0,0,0|1,0,1]=4 567 B7R0.6 C[C@H](O)CC[C@H](C)O CS-W013595 [0,2,0,0,0,0|1,0,0]=3 568 B7R0.8 CC(C)(C)NCCO CS-0214733 [0,2,0,0,0,0|1,0,0]=3 569 B7R0.8 CC(C)(C)OCCO CS-0031602 [0,2,0,0,0,0|0,1,0]=3 570 B7R0.8 CC(C)(C)SCCBr CS-0238987 [0,2,0,0,0,0|1,0,0]=3 571 B7R0.8 CC(C)(N)CCCO CS-0234492 [0,2,0,0,0,0|1,0,0]=3 572 B7R0.8 CCCCC(C)(C)O CS-0181812 [0,2,0,0,0,0|1,0,0]=3 573 B7R0.8 CS(=O)(=O)CCCO CS-W004952 [0,2,0,0,0,0|2,0,0]=4 574 B7R0.8 OCCOC(F)(F)F CS-0107228 [0,2,0,0,0,0|1,1,0]=4 575 B7R0.1 BrCCCCCCBr CS-0015831 [0,2,0,0,0,0|2,0,0]=4 576 B7R0.1 C#CCCCCCO CS-W007441 [0,2,0,0,0,0|1,0,0]=3 577 B7R0.1 C#CCOCCOC CS-0038923 [0,2,0,0,0,0|0,1,1]=4 578 B7R0.1 C#CCOCCON CS-0114299 [0,2,0,0,0,0|0,1,1]=4 579 B7R0.1 C=CCCCCCBr CS-W009270 [0,2,0,0,0,0|2,0,0]=4 580 B7R0.1 C=CCCCCNC CS-0187593 [0,2,0,0,0,0|2,0,0]=4 581 B7R0.1 C=COCCCCO CS-0077087 [0,2,0,0,0,0|1,0,1]=4 582 B7R0.1 CCCCCCCBr CS-W017293 [0,2,0,0,0,0|2,0,0]=4 583 B7R0.1 CCCCCCCO CS-0152146 [0,2,0,0,0,0|1,0,0]=3 584 B7R0.1 CCCCNCCO CS-0077079 [0,2,0,0,0,0|1,0,0]=3 585 B7R0.1 CCCOCCCN CS-0213493 [0,2,0,0,0,0|1,1,0]=4 586 B7R0.1 CCNCCCCO CS-0206547 [0,2,0,0,0,0|1,0,0]=3 587 B7R0.1 CNCCOCCO CS-0209922 [0,2,0,0,0,0|0,1,0]=3 588 B7R0.1 COCC#CCOC CS-0181843 [0,2,0,0,0,0|1,0,1]=4 589 B7R0.1 COCCOCCBr CS-0116183 [0,2,0,0,0,0|0,1,0]=3 590 B7R0.1 COCCOCCI CS-0150162 [0,2,0,0,0,0|0,1,0]=3 591 B7R0.1 COCCOCCN CS-0115786 [0,2,0,0,0,0|0,1,0]=3 592 B7R0.1 COCCOCCN CS-0115787 [0,2,0,0,0,0|0,1,0]=3 593 B7R0.1 COCCOCCN CS-0115788 [0,2,0,0,0,0|0,1,0]=3 594 B7R0.1 COCCOCCN CS-0115790 [0,2,0,0,0,0|0,1,0]=3 595 B7R0.1 COCCOCCN CS-W008429 [0,2,0,0,0,0|0,1,0]=3 596 B7R0.1 COCCOCCO CS-0116122 [0,2,0,0,0,0|0,1,0]=3 597 B7R0.1 COCCOCCO CS-0644881 [0,2,0,0,0,0|0,1,0]=3 598 B7R0.1 COCCOCCO CS-0889987 [0,2,0,0,0,0|0,1,0]=3 599 B7R0.1 COCCOCCO CS-W013578 [0,2,0,0,0,0|0,1,0]=3 600 B7R0.1 COCCOCCS CS-0115760 [0,2,0,0,0,0|0,1,0]=3 601 B7R0.1 COCCOCCS CS-0115764 [0,2,0,0,0,0|0,1,0]=3 602 B7R0.1 COCCOCCS CS-0650914 [0,2,0,0,0,0|0,1,0]=3 603 B7R0.1 ClCCCCCCBr CS-W010503 [0,2,0,0,0,0|2,0,0]=4 604 B7R0.1 ClCCCCCCCl CS-W016259 [0,2,0,0,0,0|2,0,0]=4 605 B7R0.1 ClCCCCCCI CS-0059200 [0,2,0,0,0,0|2,0,0]=4 606 B7R0.1 ICCCCCCI CS-W011914 [0,2,0,0,0,0|2,0,0]=4 607 B7R0.1 N#CCCCCCBr CS-0158396 [0,2,0,0,0,0|2,0,0]=4 608 B7R0.1 N#CCCCCCN CS-0147655 [0,2,0,0,0,0|2,0,0]=4 609 B7R0.1 NCCCCCCBr CS-0158390 [0,2,0,0,0,0|2,0,0]=4 610 B7R0.1 NCCCCCCN CS-W015964 [0,2,0,0,0,0|2,0,0]=4 611 B7R0.1 NCCCCCCO CS-W007957 [0,2,0,0,0,0|1,0,0]=3 612 B7R0.1 NCCCCCCS CS-D0506 [0,2,0,0,0,0|1,1,0]=4 613 B7R0.1 NCCCNCCBr CS-W022895 [0,2,0,0,0,0|2,0,0]=4 614 B7R0.1 NCCCNCCO CS-0158337 [0,2,0,0,0,0|1,0,0]=3 615 B7R0.1 NCCCNCCS CS-7832 [0,2,0,0,0,0|1,1,0]=4 616 B7R0.1 NCCNCCCO CS-0199570 [0,2,0,0,0,0|1,0,0]=3 617 B7R0.1 NCCOCCON CS-1013820 [0,2,0,0,0,0|0,1,0]=3 618 B7R0.1 NCCOCCON CS-1038497 [0,2,0,0,0,0|0,1,0]=3 619 B7R0.1 NCCOCCON CS-1038500 [0,2,0,0,0,0|0,1,0]=3 620 B7R0.1 NCCSSCCN CS-0032055 [0,2,0,0,0,0|1,0,0]=3 621 B7R0.1 NCCSSCCN CS-0086613 [0,2,0,0,0,0|1,0,0]=3 622 B7R0.1 NCC[Se][Se]CCN CS-0158446 [0,2,0,0,0,0|1,1,0]=4 623 B7R0.1 OCCCCCCBr CS-0654104 [0,2,0,0,0,0|1,0,0]=3 624 B7R0.1 OCCCCCCBr CS-W017171 [0,2,0,0,0,0|1,0,0]=3 625 B7R0.1 OCCCCCCCl CS-B1599 [0,2,0,0,0,0|1,0,0]=3 626 B7R0.1 OCCCCCCO CS-W011221 [0,2,0,0,0,0|1,0,0]=3 627 B7R0.1 OCCSSCCO CS-0181622 [0,2,0,0,0,0|0,0,0]=2 628 B5R1.1 C1CCNC1 CS-0162629 [1,0,0,1,0,0|1,0,0]=3 629 B5R1.1 C1CNNC1 CS-0210819 [1,0,0,1,0,0|2,0,0]=4 630 B5R1.1 C1CNOC1 CS-0179756 [1,0,0,1,0,0|1,0,0]=3 631 B5R1.1 C1CSCN1 CS-0006687 [1,0,0,1,0,0|1,0,0]=3 632 B5R1.1 C1CSCN1 CS-M1684 [1,0,0,1,0,0|1,0,0]=3 633 B5R1.2 BrC1CCC1 CS-0044363 [1,0,0,1,0,0|1,0,0]=3 634 B5R1.2 BrC1CNC1 CS-0051440 [1,0,0,1,0,0|2,0,0]=4 635 B5R1.2 BrC1COC1 CS-D1251 [1,0,0,1,0,0|1,1,0]=4 636 B5R1.2 CC1CCN1 CS-0051841 [1,0,0,1,0,0|1,0,0]=3 637 B5R1.2 CC1CNC1 CS-W019342 [1,0,0,1,0,0|2,0,0]=4 638 B5R1.2 C[C@@H]1CCN1 CS-0100346 [1,0,0,1,0,0|1,0,0]=3 639 B5R1.2 ClC1CNC1 CS-0051403 [1,0,0,1,0,0|2,0,0]=4 640 B5R1.2 FC1CNC1 CS-W001606 [1,0,0,1,0,0|2,0,0]=4 641 B5R1.2 IC1COC1 CS-W017022 [1,0,0,1,0,0|1,1,0]=4 642 B5R1.2 NC1CCC1 CS-0006655 [1,0,0,1,0,0|1,0,0]=3 643 B5R1.2 NC1CNC1 CS-W022573 [1,0,0,1,0,0|2,0,0]=4 644 B5R1.2 NC1COC1 CS-W018946 [1,0,0,1,0,0|1,1,0]=4 645 B5R1.2 NC1CSC1 CS-0045517 [1,0,0,1,0,0|1,0,0]=3 646 B5R1.2 O=C1CSC1 CS-B0978 [1,0,0,1,0,0|0,0,2]=4 647 B5R1.2 OC1CCC1 CS-W013758 [1,0,0,1,0,0|0,0,0]=2 648 B5R1.2 OC1CNC1 CS-0084651 [1,0,0,1,0,0|1,0,0]=3 649 B5R1.2 OC1CNC1 CS-D0673 [1,0,0,1,0,0|1,0,0]=3 650 B5R1.2 OC1COC1 CS-W007362 [1,0,0,1,0,0|0,1,0]=3 651 B5R1.2 OC1CSC1 CS-0045447 [1,0,0,1,0,0|0,0,0]=2 652 B5R1.3 BrCC1CC1 CS-W020194 [1,0,0,1,0,0|1,0,0]=3 653 B5R1.3 CNC1CC1 CS-W019814 [1,0,0,1,0,0|2,0,0]=4 654 B5R1.3 ClCC1CS1 CS-0232950 [1,0,0,1,0,0|1,0,0]=3 655 B5R1.3 ICC1CC1 CS-0056033 [1,0,0,1,0,0|1,0,0]=3 656 B5R1.3 NCC1CC1 CS-0132848 [1,0,0,1,0,0|1,0,0]=3 657 B5R1.3 NNC1CC1 CS-B1049 [1,0,0,1,0,0|2,0,0]=4 658 B5R1.3 NNC1CC1 CS-W000619 [1,0,0,1,0,0|2,0,0]=4 659 B5R1.3 OCC1CO1 CS-0016001 [1,0,0,1,0,0|0,1,0]=3 660 B5R1.4 N[C@@H]1C[C@@H]1F CS-0101187 [1,0,0,1,0,0|2,0,0]=4 661 B5R1.4 N[C@@H]1C[C@H]1F CS-0143339 [1,0,0,1,0,0|2,0,0]=4 662 B5R1.4 N[C@H]1C[C@H]1F CS-0143340 [1,0,0,1,0,0|2,0,0]=4 663 B7R1.1 BrCC1CCCC1 CS-W004985 [0,1,0,1,0,0|2,0,0]=4 664 B7R1.1 BrCC1CCOC1 CS-W004268 [0,1,0,1,0,0|1,1,0]=4 665 B7R1.1 BrCC1OCCO1 CS-W021428 [0,1,0,1,0,0|0,1,0]=3 666 B7R1.1 C#CC1CCOC1 CS-0170800 [0,1,0,1,0,0|1,1,0]=4 667 B7R1.1 CCC1CCCN1 CS-0454761 [0,1,0,1,0,0|2,0,0]=4 668 B7R1.1 CC[C@H]1CCCN1 CS-0197308 [0,1,0,1,0,0|2,0,0]=4 669 B7R1.1 CN[C@H]1CCOC1 CS-0053255 [0,1,0,1,0,0|1,1,0]=4 670 B7R1.1 COC1CCNC1 CS-0039937 [0,1,0,1,0,0|1,0,0]=3 671 B7R1.1 COC1CCNC1 CS-W004880 [0,1,0,1,0,0|1,0,0]=3 672 B7R1.1 CO[C@@H]1CCNC1 CS-0053757 [0,1,0,1,0,0|1,0,0]=3 673 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,1,0,1,0,0|1,0,0]=3 674 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,1,0,1,0,0|1,0,0]=3 675 B7R1.1 ClCC1OCCO1 CS-0137170 [0,1,0,1,0,0|0,1,0]=3 676 B7R1.1 FC[C@@H]1CCCN1 CS-0053450 [0,1,0,1,0,0|2,0,0]=4 677 B7R1.1 ICC1CCCC1 CS-0309298 [0,1,0,1,0,0|2,0,0]=4 678 B7R1.1 ICC1CCOC1 CS-W004269 [0,1,0,1,0,0|1,1,0]=4 679 B7R1.1 N#CC1CCCC1 CS-0072286 [0,1,0,1,0,0|2,0,0]=4 680 B7R1.1 N#CC1CCOC1 CS-W004270 [0,1,0,1,0,0|1,1,0]=4 681 B7R1.1 N#C[C@@H]1CCNC1 CS-0053310 [0,1,0,1,0,0|2,0,0]=4 682 B7R1.1 N#C[C@H]1CCNC1 CS-0053245 [0,1,0,1,0,0|2,0,0]=4 683 B7R1.1 NCC1CCCC1 CS-D0472 [0,1,0,1,0,0|2,0,0]=4 684 B7R1.1 NCC1CCCN1 CS-0019253 [0,1,0,1,0,0|2,0,0]=4 685 B7R1.1 NCC1CCOC1 CS-W004787 [0,1,0,1,0,0|1,1,0]=4 686 B7R1.1 NC[C@@H]1CCCO1 CS-0438150 [0,1,0,1,0,0|1,0,0]=3 687 B7R1.1 NC[C@@H]1CCCO1 CS-W011316 [0,1,0,1,0,0|1,0,0]=3 688 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [0,1,0,1,0,0|1,1,0]=4 689 B7R1.1 NC[C@@H]1CCOC1 CS-0053252 [0,1,0,1,0,0|1,1,0]=4 690 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [0,1,0,1,0,0|1,1,0]=4 691 B7R1.1 NNC1CCCC1 CS-D0525 [0,1,0,1,0,0|2,0,0]=4 692 B7R1.1 O=CC1CCOC1 CS-W004272 [0,1,0,1,0,0|0,1,1]=4 693 B7R1.1 OCC1CC=CC1 CS-W003141 [0,1,0,1,0,0|1,0,1]=4 694 B7R1.1 OCC1CCCC1 CS-W001923 [0,1,0,1,0,0|1,0,0]=3 695 B7R1.1 OCC1CCCN1 CS-W007622 [0,1,0,1,0,0|1,0,0]=3 696 B7R1.1 OCC1CCNC1 CS-W019882 [0,1,0,1,0,0|1,0,0]=3 697 B7R1.1 OCC1CCOC1 CS-D1159 [0,1,0,1,0,0|0,1,0]=3 698 B7R1.1 OCC1OCCO1 CS-W019186 [0,1,0,1,0,0|0,1,0]=3 699 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [0,1,0,1,0,0|1,0,0]=3 700 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,1,0,1,0,0|0,1,0]=3 701 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,1,0,1,0,0|1,0,0]=3 702 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [0,1,0,1,0,0|1,0,0]=3 703 B7R1.1 OC[C@H]1CCNC1 CS-W008960 [0,1,0,1,0,0|1,0,0]=3 704 B7R1.1 ON=C1CCCC1 CS-W013717 [0,1,0,1,0,0|1,0,1]=4 705 B7R1.1 [C@@H]1(CN)CCCN1 CS-0043760 [0,1,0,1,0,0|2,0,0]=4 706 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [0,1,0,1,0,0|1,0,0]=3 707 B7R1.1 [C@H]1(CO)CCCO1 CS-W013695 [0,1,0,1,0,0|0,1,0]=3 708 B7R1.2 CC1CCC(=O)O1 CS-W016654 [0,1,0,1,0,0|1,0,1]=4 709 B7R1.2 CN1CCC(N)C1 CS-0151106 [0,1,0,1,0,0|2,0,0]=4 710 B7R1.2 CN1CCC(O)C1 CS-M2838 [0,1,0,1,0,0|1,0,0]=3 711 B7R1.2 CN1CC[C@@H](N)C1 CS-0053339 [0,1,0,1,0,0|2,0,0]=4 712 B7R1.2 CN1CC[C@@H](N)C1 CS-0183704 [0,1,0,1,0,0|2,0,0]=4 713 B7R1.2 CN1CC[C@H](N)C1 CS-0053279 [0,1,0,1,0,0|2,0,0]=4 714 B7R1.2 CN1CC[C@H](O)C1 CS-W003109 [0,1,0,1,0,0|1,0,0]=3 715 B7R1.2 C[C@@H]1CC[C@@H](C)N1 CS-0111299 [0,1,0,1,0,0|2,0,0]=4 716 B7R1.2 C[C@@H]1C[C@H](O)CN1 CS-0053223 [0,1,0,1,0,0|1,0,0]=3 717 B7R1.2 C[C@H]1C[C@@H](O)CN1 CS-0053292 [0,1,0,1,0,0|1,0,0]=3 718 B7R1.2 NC1CCC(N)C1 CS-0310049 [0,1,0,1,0,0|2,0,0]=4 719 B7R1.2 NC1CCC(O)C1 CS-0083804 [0,1,0,1,0,0|1,0,0]=3 720 B7R1.2 NC1CCC(O)C1 CS-W005211 [0,1,0,1,0,0|1,0,0]=3 721 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-0053617 [0,1,0,1,0,0|1,0,0]=3 722 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-W018626 [0,1,0,1,0,0|1,0,0]=3 723 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0044036 [0,1,0,1,0,0|1,0,0]=3 724 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0058643 [0,1,0,1,0,0|1,0,0]=3 725 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-0062467 [0,1,0,1,0,0|1,0,0]=3 726 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-B1526 [0,1,0,1,0,0|1,0,0]=3 727 B7R1.2 N[C@H]1CC[C@H](O)C1 CS-0053559 [0,1,0,1,0,0|1,0,0]=3 728 B7R1.2 N[C@H]1CC[C@H](O)C1 CS-0131617 [0,1,0,1,0,0|1,0,0]=3 729 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,1,0,1,0,0|1,0,1]=4 730 B7R1.2 O=C1CCC(O)C1 CS-0051334 [0,1,0,1,0,0|1,0,0]=3 731 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,1,0,1,0,0|1,0,1]=4 732 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [0,1,0,1,0,0|1,0,1]=4 733 B7R1.2 OC1CCC(O)C1 CS-0049625 [0,1,0,1,0,0|1,0,0]=3 734 B7R1.2 O[C@@H]1C=C[C@H](O)C1 CS-0056064 [0,1,0,1,0,0|1,0,1]=4 735 B7R1.2 O[C@@H]1CC[C@@H](O)C1 CS-0056775 [0,1,0,1,0,0|1,0,0]=3 736 B7R1.2 [C@@H]1(N)CC[C@@H](N)C1 CS-W007211 [0,1,0,1,0,0|2,0,0]=4 737 B7R1.2 [C@@H]1(O)CCN(C)C1 CS-W013705 [0,1,0,1,0,0|1,0,0]=3 738 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [0,1,0,1,0,0|0,1,1]=4 739 B7R1.3 BrC1=CCOCC1 CS-0069635 [0,1,0,1,0,0|1,0,1]=4 740 B7R1.3 BrC1CCCCC1 CS-W017925 [0,1,0,1,0,0|2,0,0]=4 741 B7R1.3 BrC1CCCOC1 CS-W019418 [0,1,0,1,0,0|1,0,0]=3 742 B7R1.3 BrC1CCNCC1 CS-W014130 [0,1,0,1,0,0|2,0,0]=4 743 B7R1.3 BrC1CCOCC1 CS-W003396 [0,1,0,1,0,0|1,0,0]=3 744 B7R1.3 C=C1CCNCC1 CS-D0508 [0,1,0,1,0,0|2,0,0]=4 745 B7R1.3 CC1=CCCNC1 CS-0050445 [0,1,0,1,0,0|2,0,0]=4 746 B7R1.3 CC1=NCCCO1 CS-1006941 [0,1,0,1,0,0|1,0,1]=4 747 B7R1.3 CC1CCOCC1 CS-0233092 [0,1,0,1,0,0|1,0,0]=3 748 B7R1.3 CC1CCOCO1 CS-0181838 [0,1,0,1,0,0|1,0,0]=3 749 B7R1.3 CC1CNCCO1 CS-0152670 [0,1,0,1,0,0|1,0,0]=3 750 B7R1.3 CC1CNCCO1 CS-D1584 [0,1,0,1,0,0|1,0,0]=3 751 B7R1.3 CC1COCCN1 CS-W009058 [0,1,0,1,0,0|1,0,0]=3 752 B7R1.3 CC1SCCCS1 CS-0094743 [0,1,0,1,0,0|0,1,0]=3 753 B7R1.3 CN1CCNCC1 CS-W017563 [0,1,0,1,0,0|2,0,0]=4 754 B7R1.3 C[C@@H]1CCCCN1 CS-W019137 [0,1,0,1,0,0|2,0,0]=4 755 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [0,1,0,1,0,0|2,0,0]=4 756 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,1,0,1,0,0|2,0,0]=4 757 B7R1.3 C[C@@H]1CNCCO1 CS-0019313 [0,1,0,1,0,0|1,0,0]=3 758 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,1,0,1,0,0|1,0,0]=3 759 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [0,1,0,1,0,0|1,0,0]=3 760 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,1,0,1,0,0|1,0,0]=3 761 B7R1.3 C[C@H]1CCCCN1 CS-0145867 [0,1,0,1,0,0|2,0,0]=4 762 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,1,0,1,0,0|1,0,0]=3 763 B7R1.3 C[C@H]1COCCN1 CS-M0392 [0,1,0,1,0,0|1,0,0]=3 764 B7R1.3 C[C@H]1COCCN1 CS-W008644 [0,1,0,1,0,0|1,0,0]=3 765 B7R1.3 ClC1CCCCC1 CS-0198086 [0,1,0,1,0,0|2,0,0]=4 766 B7R1.3 ClC1CCNCC1 CS-W006160 [0,1,0,1,0,0|2,0,0]=4 767 B7R1.3 ClC1CCOCC1 CS-W016579 [0,1,0,1,0,0|1,0,0]=3 768 B7R1.3 FC1CCCNC1 CS-W001632 [0,1,0,1,0,0|2,0,0]=4 769 B7R1.3 FC1CCNCC1 CS-0040905 [0,1,0,1,0,0|2,0,0]=4 770 B7R1.3 FC1CCNCC1 CS-0101735 [0,1,0,1,0,0|2,0,0]=4 771 B7R1.3 F[C@@H]1CCCNC1 CS-0053327 [0,1,0,1,0,0|2,0,0]=4 772 B7R1.3 IC1CCCCC1 CS-0148628 [0,1,0,1,0,0|2,0,0]=4 773 B7R1.3 IC1CCNCC1 CS-0145320 [0,1,0,1,0,0|2,0,0]=4 774 B7R1.3 IC1CCOCC1 CS-W004278 [0,1,0,1,0,0|1,0,0]=3 775 B7R1.3 NC1CC=CCC1 CS-0076943 [0,1,0,1,0,0|2,0,0]=4 776 B7R1.3 NC1CCCCC1 CS-W013335 [0,1,0,1,0,0|2,0,0]=4 777 B7R1.3 NC1CCCNC1 CS-W002078 [0,1,0,1,0,0|2,0,0]=4 778 B7R1.3 NC1CCCOC1 CS-0044162 [0,1,0,1,0,0|1,0,0]=3 779 B7R1.3 NC1CCCOC1 CS-0069616 [0,1,0,1,0,0|1,0,0]=3 780 B7R1.3 NC1CCOCC1 CS-B0654 [0,1,0,1,0,0|1,0,0]=3 781 B7R1.3 NC1CCOCC1 CS-W002372 [0,1,0,1,0,0|1,0,0]=3 782 B7R1.3 NC1CCSCC1 CS-0043960 [0,1,0,1,0,0|1,0,0]=3 783 B7R1.3 NC1CCSCC1 CS-W000397 [0,1,0,1,0,0|1,0,0]=3 784 B7R1.3 NN1CCCCC1 CS-W007639 [0,1,0,1,0,0|2,0,0]=4 785 B7R1.3 NN1CCOCC1 CS-W001074 [0,1,0,1,0,0|1,0,0]=3 786 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,1,0,1,0,0|2,0,0]=4 787 B7R1.3 N[C@@H]1CCCNC1 CS-W009139 [0,1,0,1,0,0|2,0,0]=4 788 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,1,0,1,0,0|1,0,0]=3 789 B7R1.3 O=C1CCCCO1 CS-W013713 [0,1,0,1,0,0|1,0,1]=4 790 B7R1.3 O=C1CCCOC1 CS-D1576 [0,1,0,1,0,0|1,0,1]=4 791 B7R1.3 O=C1CCCSC1 CS-D0446 [0,1,0,1,0,0|0,0,2]=4 792 B7R1.3 O=C1CCOCC1 CS-D0601 [0,1,0,1,0,0|1,0,0]=3 793 B7R1.3 O=C1CCSCC1 CS-W002007 [0,1,0,1,0,0|0,0,1]=3 794 B7R1.3 O=C1CNCCO1 CS-0098127 [0,1,0,1,0,0|1,0,1]=4 795 B7R1.3 O=C1COCCN1 CS-D1427 [0,1,0,1,0,0|1,0,1]=4 796 B7R1.3 O=C1COCCO1 CS-0031423 [0,1,0,1,0,0|0,1,1]=4 797 B7R1.3 O=C1CSCCN1 CS-W019146 [0,1,0,1,0,0|0,0,2]=4 798 B7R1.3 O=S1CCNCC1 CS-0043941 [0,1,0,1,0,0|1,0,1]=4 799 B7R1.3 OC1C=CCCC1 CS-W011333 [0,1,0,1,0,0|1,0,1]=4 800 B7R1.3 OC1CC=CCC1 CS-0161778 [0,1,0,1,0,0|1,0,0]=3 801 B7R1.3 OC1CCCCC1 CS-0017198 [0,1,0,1,0,0|1,0,0]=3 802 B7R1.3 OC1CCCCO1 CS-0015921 [0,1,0,1,0,0|1,0,0]=3 803 B7R1.3 OC1CCCNC1 CS-D1393 [0,1,0,1,0,0|1,0,0]=3 804 B7R1.3 OC1CCCNC1 CS-W013706 [0,1,0,1,0,0|1,0,0]=3 805 B7R1.3 OC1CCCOC1 CS-D1560 [0,1,0,1,0,0|0,1,0]=3 806 B7R1.3 OC1CCNCC1 CS-W002165 [0,1,0,1,0,0|1,0,0]=3 807 B7R1.3 OC1CCNCC1 CS-W004328 [0,1,0,1,0,0|1,0,0]=3 808 B7R1.3 OC1CCOCC1 CS-W004264 [0,1,0,1,0,0|0,1,0]=3 809 B7R1.3 OC1CCSCC1 CS-D1275 [0,1,0,1,0,0|0,0,0]=2 810 B7R1.3 OC1CNCCO1 CS-W006148 [0,1,0,1,0,0|1,0,0]=3 811 B7R1.3 OC1COCOC1 CS-W016639 [0,1,0,1,0,0|0,1,0]=3 812 B7R1.3 ON1CCCCC1 CS-W016646 [0,1,0,1,0,0|1,0,0]=3 813 B7R1.3 O[C@@H]1CCCNC1 CS-0053770 [0,1,0,1,0,0|1,0,0]=3 814 B7R1.3 O[C@H]1CCCNC1 CS-0029964 [0,1,0,1,0,0|1,0,0]=3 815 B7R1.3 O[C@H]1CCCNC1 CS-W003070 [0,1,0,1,0,0|1,0,0]=3 816 B7R1.3 S=C1CCCCC1 CS-0661522 [0,1,0,1,0,0|1,1,0]=4 817 B7R1.3 [C@@H]1(N)CCCOC1 CS-W006989 [0,1,0,1,0,0|1,0,0]=3 818 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,1,0,1,0,0|1,0,0]=3 819 B7R1.3 [C@H]1(C)CCCCN1 CS-0044046 [0,1,0,1,0,0|2,0,0]=4 820 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,1,0,1,0,0|2,0,0]=4 821 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,1,0,1,0,0|2,0,0]=4 822 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,1,0,1,0,0|1,0,0]=3 823 B7R1.4 CC1OCCC1=O CS-W011324 [0,1,0,1,0,0|1,0,0]=3 824 B7R1.4 CC1OCCC1S CS-W013594 [0,1,0,1,0,0|1,0,0]=3 825 B7R1.4 CC1SCCC1=O CS-W011228 [0,1,0,1,0,0|0,0,1]=3 826 B7R1.4 C[C@H]1CNC[C@@H]1O CS-0035605 [0,1,0,1,0,0|1,0,0]=3 827 B7R1.4 F[C@H]1CNC[C@H]1F CS-0012663 [0,1,0,1,0,0|2,0,0]=4 828 B7R1.4 NC1CCSC1=O CS-0021300 [0,1,0,1,0,0|1,0,1]=4 829 B7R1.4 N[C@@H]1CCC[C@@H]1O CS-W003557 [0,1,0,1,0,0|1,0,0]=3 830 B7R1.4 N[C@@H]1CCC[C@H]1O CS-0130454 [0,1,0,1,0,0|1,0,0]=3 831 B7R1.4 N[C@@H]1CCC[C@H]1O CS-W008557 [0,1,0,1,0,0|1,0,0]=3 832 B7R1.4 N[C@@H]1CCSC1=O CS-0375845 [0,1,0,1,0,0|1,0,1]=4 833 B7R1.4 N[C@@H]1CNC[C@H]1F CS-0094714 [0,1,0,1,0,0|2,0,0]=4 834 B7R1.4 N[C@@H]1COC[C@@H]1N CS-0049652 [0,1,0,1,0,0|1,1,0]=4 835 B7R1.4 N[C@H]1CCC[C@@H]1O CS-W004139 [0,1,0,1,0,0|1,0,0]=3 836 B7R1.4 N[C@H]1CCC[C@H]1N CS-0049664 [0,1,0,1,0,0|2,0,0]=4 837 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [0,1,0,1,0,0|1,0,0]=3 838 B7R1.4 N[C@H]1CCSC1=O CS-6394 [0,1,0,1,0,0|1,0,1]=4 839 B7R1.4 N[C@H]1COC[C@@H]1O CS-0046711 [0,1,0,1,0,0|0,1,0]=3 840 B7R1.4 N[C@H]1COC[C@@H]1O CS-0047593 [0,1,0,1,0,0|0,1,0]=3 841 B7R1.4 O=C1NCCC1O CS-W005201 [0,1,0,1,0,0|1,0,1]=4 842 B7R1.4 O=C1NCC[C@@H]1O CS-W003342 [0,1,0,1,0,0|1,0,1]=4 843 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [0,1,0,1,0,0|1,0,1]=4 844 B7R1.4 O=C1OCCC1O CS-W013699 [0,1,0,1,0,0|0,1,1]=4 845 B7R1.4 O=C1OCC[C@@H]1O CS-0312594 [0,1,0,1,0,0|0,1,1]=4 846 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [0,1,0,1,0,0|1,0,0]=3 847 B7R1.4 O[C@@H]1CNC[C@@H]1F CS-0047354 [0,1,0,1,0,0|1,0,0]=3 848 B7R1.4 O[C@@H]1CNC[C@H]1F CS-0054190 [0,1,0,1,0,0|1,0,0]=3 849 B7R1.4 O[C@@H]1CNC[C@H]1O CS-0053303 [0,1,0,1,0,0|1,0,0]=3 850 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0042168 [0,1,0,1,0,0|1,0,0]=3 851 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0058680 [0,1,0,1,0,0|1,0,0]=3 852 B7R1.4 O[C@H]1CNC[C@H]1O CS-W022618 [0,1,0,1,0,0|1,0,0]=3 853 B7R1.4 O[C@H]1COC[C@H]1O CS-0049648 [0,1,0,1,0,0|0,1,0]=3 854 B7R1.4 [C@H]1(O)CNC[C@@H]1O CS-W005107 [0,1,0,1,0,0|1,0,0]=3 855 B7R1.6 COCC1CNC1 CS-W023140 [0,1,0,1,0,0|2,0,0]=4 856 B7R1.6 NCCN1CCC1 CS-0127626 [0,1,0,1,0,0|2,0,0]=4 857 B7R1.6 NOCC1CCC1 CS-0145228 [0,1,0,1,0,0|1,0,0]=3 858 B7R1.6 OCCC1COC1 CS-0052216 [0,1,0,1,0,0|1,0,0]=3 859 B7R1.6 OCCN1CCC1 CS-D0268 [0,1,0,1,0,0|1,0,0]=3 860 B7R1.8 CN1CC[C@@H]1CO CS-0172773 [0,1,0,1,0,0|1,0,0]=3 861 B7R1.9 OC[C@H]1C[C@H]1CO CS-0053077 [0,1,0,1,0,0|1,0,0]=3 862 B7R1.10 C=C1CC(CO)C1 CS-0185403 [0,1,0,1,0,0|1,0,1]=4 863 B7R1.10 CC1CC(CN)C1 CS-0036376 [0,1,0,1,0,0|2,0,0]=4 864 B7R1.10 CC1CC(CO)C1 CS-0215900 [0,1,0,1,0,0|1,0,0]=3 865 B7R1.10 CCN1CC(N)C1 CS-0184403 [0,1,0,1,0,0|2,0,0]=4 866 B7R1.10 CN1CC(CO)C1 CS-0053643 [0,1,0,1,0,0|2,0,0]=4 867 B7R1.10 CNC1CC(O)C1 CS-0051674 [0,1,0,1,0,0|2,0,0]=4 868 B7R1.10 COC1CC(O)C1 CS-0056983 [0,1,0,1,0,0|2,0,0]=4 869 B7R1.10 N[C@H]1C[C@@H](CO)C1 CS-0049714 [0,1,0,1,0,0|1,0,0]=3 870 B7R1.10 O=C1CC(CO)C1 CS-0045541 [0,1,0,1,0,0|1,0,1]=4 871 B7R1.10 OCC1CC(Cl)C1 CS-0044084 [0,1,0,1,0,0|1,0,0]=3 872 B7R1.10 OCC1CC(O)C1 CS-0186717 [0,1,0,1,0,0|1,0,0]=3 873 B7R1.22 CCC(N)C1CC1 CS-0052574 [0,1,0,1,0,0|2,0,0]=4 874 B7R1.22 CCC(O)C1CC1 CS-0052573 [0,1,0,1,0,0|2,0,0]=4 875 B7R1.22 COC(=O)[C@@H]1CO1 CS-0063139 [0,1,0,1,0,0|2,0,0]=4 876 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [0,1,0,1,0,0|2,0,0]=4 877 B7R1.22 NC(CO)C1CC1 CS-0075143 [0,1,0,1,0,0|1,0,0]=3 878 B7R1.22 NCC(O)C1CC1 CS-0128611 [0,1,0,1,0,0|2,0,0]=4 879 B7R1.22 N[C@@H](CO)C1CC1 CS-0111762 [0,1,0,1,0,0|1,0,0]=3 880 B7R1.22 N[C@H](CO)C1CC1 CS-0173226 [0,1,0,1,0,0|1,0,0]=3 881 B7R1.22 O=C(CO)C1CC1 CS-0230656 [0,1,0,1,0,0|1,0,1]=4 882 B7R1.25 CC1(CBr)CCC1 CS-0070089 [0,1,0,1,0,0|2,0,0]=4 883 B7R1.25 CC1(CN)CCC1 CS-0045540 [0,1,0,1,0,0|2,0,0]=4 884 B7R1.25 CC1(CO)CCC1 CS-0072446 [0,1,0,1,0,0|1,0,0]=3 885 B7R1.25 CC1(CO)COC1 CS-W007726 [0,1,0,1,0,0|2,0,0]=4 886 B7R1.25 NC1(CO)CCC1 CS-0053661 [0,1,0,1,0,0|1,0,0]=3 887 B7R1.25 NC1(CO)COC1 CS-0040896 [0,1,0,1,0,0|2,0,0]=4 888 B7R1.25 NCC1(O)CCC1 CS-W005666 [0,1,0,1,0,0|2,0,0]=4 889 B7R1.7 OCC#CC1CC1 CS-0051385 [0,1,0,1,0,0|1,0,1]=4 890 B7R1.7 OCCNC1CC1 CS-0072588 [0,1,0,1,0,0|1,0,0]=3 891 B7R1.12 CC1CC1C(=O)O CS-0072900 [0,1,0,1,0,0|1,0,1]=4 892 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0047824 [0,1,0,1,0,0|1,0,1]=4 893 B7R1.12 C[C@H]1C[C@@H]1C(=O)O CS-0089165 [0,1,0,1,0,0|1,0,1]=4 894 B7R1.14 CC1(C)CCCN1 CS-W021476 [0,1,0,1,0,0|2,0,0]=4 895 B7R1.14 CC1(C)CCNC1 CS-0051614 [0,1,0,1,0,0|2,0,0]=4 896 B7R1.14 CC1(F)CCNC1 CS-0051362 [0,1,0,1,0,0|2,0,0]=4 897 B7R1.14 CC1(N)CCCC1 CS-0119714 [0,1,0,1,0,0|2,0,0]=4 898 B7R1.14 CC1(N)CCOC1 CS-0184318 [0,1,0,1,0,0|1,1,0]=4 899 B7R1.14 CC1(O)CCNC1 CS-W001685 [0,1,0,1,0,0|1,0,0]=3 900 B7R1.14 CC1(O)CCNC1 CS-W021967 [0,1,0,1,0,0|1,0,0]=3 901 B7R1.14 C[C@@]1(O)CCNC1 CS-0053323 [0,1,0,1,0,0|1,0,0]=3 902 B7R1.14 C[C@@]1(O)CCNC1 CS-0183805 [0,1,0,1,0,0|1,0,0]=3 903 B7R1.14 C[C@]1(O)CCNC1 CS-0053259 [0,1,0,1,0,0|1,0,0]=3 904 B7R1.14 FC1(F)CCNC1 CS-0183400 [0,1,0,1,0,0|2,0,0]=4 905 B7R1.14 FC1(F)CCNC1 CS-W001466 [0,1,0,1,0,0|2,0,0]=4 906 B7R1.18 CC(N)C1CCC1 CS-0052584 [0,1,0,1,0,0|2,0,0]=4 907 B7R1.18 CC(O)C1CCC1 CS-W006217 [0,1,0,1,0,0|1,0,0]=3 908 B7R1.18 O=C(O)C1CCC1 CS-W011325 [0,1,0,1,0,0|1,0,1]=4 909 B7R1.18 O=C(O)C1CCN1 CS-M0178 [0,1,0,1,0,0|1,0,1]=4 910 B7R1.18 O=C(O)C1CCO1 CS-W006382 [0,1,0,1,0,0|0,1,1]=4 911 B7R1.18 O=C(O)[C@@H]1CCN1 CS-0031389 [0,1,0,1,0,0|1,0,1]=4 912 B7R1.18 O=C(O)[C@@H]1CCO1 CS-0148269 [0,1,0,1,0,0|0,1,1]=4 913 B7R1.18 O=C(O)[C@H]1CCN1 CS-W018478 [0,1,0,1,0,0|1,0,1]=4 914 B7R1.18 OB(O)C1CCC1 CS-W001218 [0,1,0,1,0,0|2,0,0]=4 915 B7R1.20 O=C(O)CC1CC1 CS-W011326 [0,1,0,1,0,0|1,0,1]=4 916 B7R1.24 C1CNCCNC1 CS-W007768 [0,1,0,1,0,0|2,0,0]=4 917 B7R1.24 C1CNCCOC1 CS-0171615 [0,1,0,1,0,0|1,0,0]=3 918 B7R1.24 C1CNCCOC1 CS-B1101 [0,1,0,1,0,0|1,0,0]=3 919 B7R2.13 C1=CC2OC2C1 CS-0670603 [0,0,0,2,0,0|1,0,1]=4 920 B7R2.13 C1NCC2CC12 CS-W005878 [0,0,0,2,0,0|2,0,0]=4 921 B7R2.13 C1OCC2OC12 CS-W016680 [0,0,0,2,0,0|0,1,0]=3