0 B6R1.1 C1=CCNCC1 CS-W021272 [0,0,0,0,0,0|1,0,2]=3 1 B6R1.1 C1CCNNC1 CS-0038680 [0,0,0,0,0,0|2,0,0]=2 2 B6R1.1 C1CCONC1 CS-W000777 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.1 C1CNCCN1 CS-0214091 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.1 C1CNCCN1 CS-0214115 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.1 C1CSCCN1 CS-W007359 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.1 C1CSCCO1 CS-0155184 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.1 C1CSCCS1 CS-0698377 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.1 C1CSCSC1 CS-W001189 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 BrC1=CCCCC1 CS-0155410 [0,1,0,0,0,0|0,0,2]=3 10 B7R1.3 BrC1=CCOCC1 CS-0069635 [0,1,0,0,0,0|1,0,2]=4 11 B7R1.3 BrC1C=CCCC1 CS-0173469 [0,1,0,0,0,0|0,0,2]=3 12 B7R1.3 BrC1CCCCC1 CS-W017925 [0,1,0,0,0,0|0,0,0]=1 13 B7R1.3 BrC1CCCOC1 CS-W019418 [0,1,0,0,0,0|1,0,0]=2 14 B7R1.3 BrC1CCNCC1 CS-W014130 [0,1,0,0,0,0|1,0,0]=2 15 B7R1.3 BrC1CCOCC1 CS-W003396 [0,1,0,0,0,0|1,0,0]=2 16 B7R1.3 C=C1CCNCC1 CS-D0508 [0,1,0,0,0,0|1,0,1]=3 17 B7R1.3 CC1=CCCNC1 CS-0050445 [0,1,0,0,0,0|1,0,2]=4 18 B7R1.3 CC1=CCNCC1 CS-W004399 [0,1,0,0,0,0|1,0,2]=4 19 B7R1.3 CC1=NCCCO1 CS-1006941 [0,1,0,0,0,0|2,0,1]=4 20 B7R1.3 CC1CCOCC1 CS-0233092 [0,1,0,0,0,0|1,0,0]=2 21 B7R1.3 CC1CCOCO1 CS-0181838 [0,1,0,0,0,0|2,0,0]=3 22 B7R1.3 CC1CNCCO1 CS-0152670 [0,1,0,0,0,0|2,0,0]=3 23 B7R1.3 CC1CNCCO1 CS-D1584 [0,1,0,0,0,0|2,0,0]=3 24 B7R1.3 CC1COCCN1 CS-W009058 [0,1,0,0,0,0|2,0,0]=3 25 B7R1.3 CC1SCCCS1 CS-0094743 [0,1,0,0,0,0|2,0,0]=3 26 B7R1.3 CN1CCNCC1 CS-W017563 [0,1,0,0,0,0|2,0,0]=3 27 B7R1.3 C[C@@H]1CCCCN1 CS-W019137 [0,1,0,0,0,0|1,0,0]=2 28 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [0,1,0,0,0,0|1,0,0]=2 29 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.3 C[C@@H]1CNCCO1 CS-0019313 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,1,0,0,0,0|2,0,0]=3 32 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [0,1,0,0,0,0|2,0,0]=3 33 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,1,0,0,0,0|2,0,0]=3 34 B7R1.3 C[C@H]1CCCCN1 CS-0145867 [0,1,0,0,0,0|1,0,0]=2 35 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,1,0,0,0,0|2,0,0]=3 36 B7R1.3 C[C@H]1COCCN1 CS-M0392 [0,1,0,0,0,0|2,0,0]=3 37 B7R1.3 C[C@H]1COCCN1 CS-W008644 [0,1,0,0,0,0|2,0,0]=3 38 B7R1.3 ClC1CCCCC1 CS-0198086 [0,1,0,0,0,0|0,0,0]=1 39 B7R1.3 ClC1CCNCC1 CS-W006160 [0,1,0,0,0,0|1,0,0]=2 40 B7R1.3 ClC1CCOCC1 CS-W016579 [0,1,0,0,0,0|1,0,0]=2 41 B7R1.3 FC1CCCNC1 CS-W001632 [0,1,0,0,0,0|1,0,0]=2 42 B7R1.3 FC1CCNCC1 CS-0040905 [0,1,0,0,0,0|1,0,0]=2 43 B7R1.3 FC1CCNCC1 CS-0101735 [0,1,0,0,0,0|1,0,0]=2 44 B7R1.3 F[C@@H]1CCCNC1 CS-0053327 [0,1,0,0,0,0|1,0,0]=2 45 B7R1.3 IC1CCCCC1 CS-0148628 [0,1,0,0,0,0|0,0,0]=1 46 B7R1.3 IC1CCNCC1 CS-0145320 [0,1,0,0,0,0|1,0,0]=2 47 B7R1.3 IC1CCOCC1 CS-W004278 [0,1,0,0,0,0|1,0,0]=2 48 B7R1.3 NC1CC=CCC1 CS-0076943 [0,1,0,0,0,0|0,0,2]=3 49 B7R1.3 NC1CCCCC1 CS-W013335 [0,1,0,0,0,0|0,0,0]=1 50 B7R1.3 NC1CCCNC1 CS-W002078 [0,1,0,0,0,0|1,0,0]=2 51 B7R1.3 NC1CCCOC1 CS-0044162 [0,1,0,0,0,0|1,0,0]=2 52 B7R1.3 NC1CCCOC1 CS-0069616 [0,1,0,0,0,0|1,0,0]=2 53 B7R1.3 NC1CCOCC1 CS-B0654 [0,1,0,0,0,0|1,0,0]=2 54 B7R1.3 NC1CCOCC1 CS-W002372 [0,1,0,0,0,0|1,0,0]=2 55 B7R1.3 NC1CCSCC1 CS-0043960 [0,1,0,0,0,0|1,0,0]=2 56 B7R1.3 NC1CCSCC1 CS-W000397 [0,1,0,0,0,0|1,0,0]=2 57 B7R1.3 NN1CCCCC1 CS-W007639 [0,1,0,0,0,0|1,0,0]=2 58 B7R1.3 NN1CCOCC1 CS-W001074 [0,1,0,0,0,0|2,0,0]=3 59 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,1,0,0,0,0|1,0,0]=2 60 B7R1.3 N[C@@H]1CCCNC1 CS-W009139 [0,1,0,0,0,0|1,0,0]=2 61 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,1,0,0,0,0|1,0,0]=2 62 B7R1.3 O=C1CCCCN1 CS-W022933 [0,1,0,0,0,0|1,0,1]=3 63 B7R1.3 O=C1CCCCO1 CS-W013713 [0,1,0,0,0,0|1,0,1]=3 64 B7R1.3 O=C1CCCNC1 CS-0048756 [0,1,0,0,0,0|1,0,1]=3 65 B7R1.3 O=C1CCCNC1 CS-0185548 [0,1,0,0,0,0|1,0,1]=3 66 B7R1.3 O=C1CCCOC1 CS-D1576 [0,1,0,0,0,0|1,0,1]=3 67 B7R1.3 O=C1CCCSC1 CS-D0446 [0,1,0,0,0,0|1,0,1]=3 68 B7R1.3 O=C1CCOCC1 CS-D0601 [0,1,0,0,0,0|1,0,1]=3 69 B7R1.3 O=C1CCSCC1 CS-W002007 [0,1,0,0,0,0|1,0,1]=3 70 B7R1.3 O=C1CNCCN1 CS-B0039 [0,1,0,0,0,0|2,0,1]=4 71 B7R1.3 O=C1CNCCO1 CS-0098127 [0,1,0,0,0,0|2,0,1]=4 72 B7R1.3 O=C1COCCN1 CS-D1427 [0,1,0,0,0,0|2,0,1]=4 73 B7R1.3 O=C1COCCO1 CS-0031423 [0,1,0,0,0,0|2,0,1]=4 74 B7R1.3 O=C1CSCCN1 CS-W019146 [0,1,0,0,0,0|2,0,1]=4 75 B7R1.3 O=C1NCCCO1 CS-0088044 [0,1,0,0,0,0|2,0,1]=4 76 B7R1.3 O=C1OCCCO1 CS-0155207 [0,1,0,0,0,0|2,0,1]=4 77 B7R1.3 O=S1CCNCC1 CS-0043941 [0,1,0,0,0,0|2,0,0]=3 78 B7R1.3 OC1C=CCCC1 CS-W011333 [0,1,0,0,0,0|0,0,2]=3 79 B7R1.3 OC1CC=CCC1 CS-0161778 [0,1,0,0,0,0|0,0,2]=3 80 B7R1.3 OC1CCCCC1 CS-0017198 [0,1,0,0,0,0|0,0,0]=1 81 B7R1.3 OC1CCCCO1 CS-0015921 [0,1,0,0,0,0|1,0,0]=2 82 B7R1.3 OC1CCCNC1 CS-D1393 [0,1,0,0,0,0|1,0,0]=2 83 B7R1.3 OC1CCCNC1 CS-W013706 [0,1,0,0,0,0|1,0,0]=2 84 B7R1.3 OC1CCCOC1 CS-D1560 [0,1,0,0,0,0|1,0,0]=2 85 B7R1.3 OC1CCNCC1 CS-W002165 [0,1,0,0,0,0|1,0,0]=2 86 B7R1.3 OC1CCNCC1 CS-W004328 [0,1,0,0,0,0|1,0,0]=2 87 B7R1.3 OC1CCOCC1 CS-W004264 [0,1,0,0,0,0|1,0,0]=2 88 B7R1.3 OC1CCSCC1 CS-D1275 [0,1,0,0,0,0|1,0,0]=2 89 B7R1.3 OC1CNCCO1 CS-W006148 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.3 OC1COCOC1 CS-W016639 [0,1,0,0,0,0|2,0,0]=3 91 B7R1.3 ON1CCCCC1 CS-W016646 [0,1,0,0,0,0|1,0,0]=2 92 B7R1.3 O[C@@H]1CCCNC1 CS-0053770 [0,1,0,0,0,0|1,0,0]=2 93 B7R1.3 O[C@H]1CCCNC1 CS-0029964 [0,1,0,0,0,0|1,0,0]=2 94 B7R1.3 O[C@H]1CCCNC1 CS-W003070 [0,1,0,0,0,0|1,0,0]=2 95 B7R1.3 S=C1CCCCC1 CS-0661522 [0,1,0,0,0,0|0,0,1]=2 96 B7R1.3 S=C1NCCCN1 CS-0073474 [0,1,0,0,0,0|2,0,1]=4 97 B7R1.3 [C@@H]1(N)CCCOC1 CS-W006989 [0,1,0,0,0,0|1,0,0]=2 98 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,1,0,0,0,0|1,0,0]=2 99 B7R1.3 [C@H]1(C)CCCCN1 CS-0044046 [0,1,0,0,0,0|1,0,0]=2 100 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,1,0,0,0,0|1,0,0]=2 101 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,1,0,0,0,0|2,0,0]=3 102 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,1,0,0,0,0|2,0,0]=3 103 B5R0.2 BrCCCCBr CS-W020631 [0,0,1,0,0,0|2,0,0]=3 104 B5R0.2 C#CCCCBr CS-0147349 [0,0,1,0,0,0|1,0,2]=4 105 B5R0.2 C#CCCCCl CS-W009550 [0,0,1,0,0,0|1,0,2]=4 106 B5R0.2 C#CCCCI CS-0088561 [0,0,1,0,0,0|1,0,2]=4 107 B5R0.2 C#CCCCN CS-0038434 [0,0,1,0,0,0|1,0,2]=4 108 B5R0.2 C#CCCCO CS-W011358 [0,0,1,0,0,0|1,0,2]=4 109 B5R0.2 C=CCCCI CS-0135974 [0,0,1,0,0,0|1,0,2]=4 110 B5R0.2 C=CCCNC CS-0197692 [0,0,1,0,0,0|1,0,2]=4 111 B5R0.2 CCC#CCBr CS-0188171 [0,0,1,0,0,0|1,0,2]=4 112 B5R0.2 CCC#CCO CS-0143646 [0,0,1,0,0,0|1,0,2]=4 113 B5R0.2 CCCCON CS-0106180 [0,0,1,0,0,0|2,0,0]=3 114 B5R0.2 CCNCCO CS-0076051 [0,0,1,0,0,0|2,0,0]=3 115 B5R0.2 CCSCCN CS-0663845 [0,0,1,0,0,0|2,0,0]=3 116 B5R0.2 CNCCC#N CS-W011357 [0,0,1,0,0,0|2,0,1]=4 117 B5R0.2 CNCCCCl CS-0150991 [0,0,1,0,0,0|2,0,0]=3 118 B5R0.2 CNCCCO CS-W007469 [0,0,1,0,0,0|2,0,0]=3 119 B5R0.2 COCCC#N CS-0030563 [0,0,1,0,0,0|2,0,1]=4 120 B5R0.2 COCCCBr CS-W010945 [0,0,1,0,0,0|2,0,0]=3 121 B5R0.2 COCCNN CS-0249520 [0,0,1,0,0,0|3,0,0]=4 122 B5R0.2 CSCCCO CS-0015993 [0,0,1,0,0,0|2,0,0]=3 123 B5R0.2 C\C=C\CCO CS-0162245 [0,0,1,0,0,0|1,0,2]=4 124 B5R0.2 ClCCCCBr CS-W017647 [0,0,1,0,0,0|2,0,0]=3 125 B5R0.2 ClCCCCI CS-W019348 [0,0,1,0,0,0|2,0,0]=3 126 B5R0.2 FCCCCBr CS-W018025 [0,0,1,0,0,0|2,0,0]=3 127 B5R0.2 ICCCCI CS-W004871 [0,0,1,0,0,0|2,0,0]=3 128 B5R0.2 N#CCCCBr CS-W004123 [0,0,1,0,0,0|2,0,1]=4 129 B5R0.2 N#CCCCCl CS-D1161 [0,0,1,0,0,0|2,0,1]=4 130 B5R0.2 NCCCCBr CS-W005399 [0,0,1,0,0,0|2,0,0]=3 131 B5R0.2 NCCCCCl CS-0158355 [0,0,1,0,0,0|2,0,0]=3 132 B5R0.2 NCCCCO CS-W002041 [0,0,1,0,0,0|2,0,0]=3 133 B5R0.2 OCCCCBr CS-W000344 [0,0,1,0,0,0|2,0,0]=3 134 B5R0.2 OCCCCCl CS-0022417 [0,0,1,0,0,0|2,0,0]=3 135 B5R0.2 OCCCCF CS-0116811 [0,0,1,0,0,0|2,0,0]=3 136 B5R0.2 OCCNCO CS-0203827 [0,0,1,0,0,0|3,0,0]=4 137 B7R2.13 C1=CC2OC2C1 CS-0670603 [0,0,0,1,0,0|1,0,2]=4 138 B7R2.13 C1NCC2CC12 CS-W005878 [0,0,0,1,0,0|1,0,0]=2 139 B7R2.13 C1OCC2OC12 CS-W016680 [0,0,0,1,0,0|2,0,0]=3 140 B5R1.1 C1=CCNC1 CS-W016634 [0,0,0,0,1,0|1,0,2]=4 141 B5R1.1 C1CCNC1 CS-0162629 [0,0,0,0,1,0|1,0,0]=2 142 B5R1.1 C1CNNC1 CS-0210819 [0,0,0,0,1,0|2,0,0]=3 143 B5R1.1 C1CNOC1 CS-0179756 [0,0,0,0,1,0|2,0,0]=3 144 B5R1.1 C1CSCN1 CS-0006687 [0,0,0,0,1,0|2,0,0]=3 145 B5R1.1 C1CSCN1 CS-M1684 [0,0,0,0,1,0|2,0,0]=3 146 B7R1.24 C1CNCCNC1 CS-W007768 [0,0,0,0,0,1|1,0,0]=2 147 B7R1.24 C1CNCCOC1 CS-0171615 [0,0,0,0,0,1|1,0,0]=2 148 B7R1.24 C1CNCCOC1 CS-B1101 [0,0,0,0,0,1|1,0,0]=2 149 B4R0.2 BrCCCI CS-0199040 [1,0,1,0,0,0|2,0,0]=4 150 B4R0.2 CCCCN CS-0214149 [1,0,1,0,0,0|1,0,0]=3 151 B4R0.2 CCCNN CS-0152064 [1,0,1,0,0,0|2,0,0]=4 152 B4R0.2 CCNCC CS-0160324 [1,0,1,0,0,0|1,0,0]=3 153 B4R0.2 CNCCBr CS-0042068 [1,0,1,0,0,0|2,0,0]=4 154 B4R0.2 CNCCCl CS-W019383 [1,0,1,0,0,0|2,0,0]=4 155 B4R0.2 CNCCO CS-0542090 [1,0,1,0,0,0|2,0,0]=4 156 B4R0.2 CNCCO CS-W008875 [1,0,1,0,0,0|2,0,0]=4 157 B4R0.2 COCCBr CS-0015336 [1,0,1,0,0,0|2,0,0]=4 158 B4R0.2 COCCI CS-0139205 [1,0,1,0,0,0|2,0,0]=4 159 B4R0.2 COCCO CS-0179325 [1,0,1,0,0,0|2,0,0]=4 160 B4R0.2 COCCO CS-0200432 [1,0,1,0,0,0|2,0,0]=4 161 B4R0.2 CSCCN CS-0063136 [1,0,1,0,0,0|2,0,0]=4 162 B4R0.2 CSCCO CS-0150086 [1,0,1,0,0,0|2,0,0]=4 163 B4R0.2 CSCSC CS-W013673 [1,0,1,0,0,0|2,0,0]=4 164 B4R0.2 ClCCCI CS-W018493 [1,0,1,0,0,0|2,0,0]=4 165 B4R0.2 FCCCI CS-0121313 [1,0,1,0,0,0|2,0,0]=4 166 B4R0.2 ICCCI CS-W012156 [1,0,1,0,0,0|2,0,0]=4 167 B4R0.2 NCCCBr CS-W008585 [1,0,1,0,0,0|2,0,0]=4 168 B4R0.2 NCCCCl CS-0015792 [1,0,1,0,0,0|2,0,0]=4 169 B4R0.2 NCCCN CS-0214047 [1,0,1,0,0,0|2,0,0]=4 170 B4R0.2 NCCCN CS-0214116 [1,0,1,0,0,0|2,0,0]=4 171 B4R0.2 NCCCO CS-W020089 [1,0,1,0,0,0|2,0,0]=4 172 B4R0.2 OCCCBr CS-W007337 [1,0,1,0,0,0|2,0,0]=4 173 B4R0.2 OCCCF CS-0170820 [1,0,1,0,0,0|2,0,0]=4 174 B4R0.2 OCCCI CS-W015993 [1,0,1,0,0,0|2,0,0]=4 175 B4R0.2 OCCCO CS-W018490 [1,0,1,0,0,0|2,0,0]=4 176 B6R0.1 C#CC(O)CCC CS-W016658 [0,1,1,0,0,0|0,0,2]=4 177 B6R0.1 CC(CO)CCN CS-0154050 [0,1,1,0,0,0|2,0,0]=4 178 B6R0.1 CC(CO)CCO CS-0517219 [0,1,1,0,0,0|2,0,0]=4 179 B6R0.1 CCC(=O)COC CS-0213932 [0,1,1,0,0,0|1,0,1]=4 180 B6R0.1 CCCC(Cl)CC CS-0102884 [0,1,1,0,0,0|0,0,0]=2 181 B6R0.1 CCCC(N)C#N CS-0255763 [0,1,1,0,0,0|1,0,1]=4 182 B6R0.1 CCCC(O)CO CS-0017222 [0,1,1,0,0,0|1,0,0]=3 183 B6R0.1 CCC[C@H](N)CO CS-M1841 [0,1,1,0,0,0|1,0,0]=3 184 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,1,1,0,0,0|1,0,0]=3 185 B6R0.1 CCOC(C)CC CS-0196425 [0,1,1,0,0,0|1,0,0]=3 186 B6R0.1 CNC(C)COC CS-0301311 [0,1,1,0,0,0|2,0,0]=4 187 B6R0.1 CNCC(O)CO CS-0151017 [0,1,1,0,0,0|2,0,0]=4 188 B6R0.1 COC(C)CCO CS-W013686 [0,1,1,0,0,0|2,0,0]=4 189 B6R0.1 COCC(N)CO CS-0106469 [0,1,1,0,0,0|2,0,0]=4 190 B6R0.1 COCC(O)CN CS-0106474 [0,1,1,0,0,0|2,0,0]=4 191 B6R0.1 OCCC(O)CO CS-0008443 [0,1,1,0,0,0|2,0,0]=4 192 B6R0.1 OCC[C@H](O)CO CS-0000034 [0,1,1,0,0,0|2,0,0]=4 193 B6R0.4 C=CCCC(C)O CS-0513969 [0,1,1,0,0,0|0,0,2]=4 194 B6R0.4 CC(=O)CCCCl CS-W013569 [0,1,1,0,0,0|1,0,1]=4 195 B6R0.4 CC(=O)CCCO CS-0020001 [0,1,1,0,0,0|1,0,1]=4 196 B6R0.4 CC(Br)CCCBr CS-0204659 [0,1,1,0,0,0|1,0,0]=3 197 B6R0.4 CC(C)CCCBr CS-0154233 [0,1,1,0,0,0|1,0,0]=3 198 B6R0.4 CC(C)CCCO CS-W007511 [0,1,1,0,0,0|1,0,0]=3 199 B6R0.4 CC(C)NCCCl CS-W006300 [0,1,1,0,0,0|2,0,0]=4 200 B6R0.4 CC(C)NCCN CS-0199017 [0,1,1,0,0,0|2,0,0]=4 201 B6R0.4 CC(C)NCCO CS-0076304 [0,1,1,0,0,0|2,0,0]=4 202 B6R0.4 CC(C)OCCBr CS-W018660 [0,1,1,0,0,0|2,0,0]=4 203 B6R0.4 CC(O)CCCO CS-0154051 [0,1,1,0,0,0|1,0,0]=3 204 B6R0.4 CCCCB(O)O CS-W000932 [0,1,1,0,0,0|2,0,0]=4 205 B6R0.4 CCCCC(=N)N CS-0122242 [0,1,1,0,0,0|1,0,1]=4 206 B6R0.4 CCCCC(N)=S CS-0248646 [0,1,1,0,0,0|1,0,1]=4 207 B6R0.4 CCCCS(=O)[O-] CS-0851776 [0,1,1,0,0,0|2,0,0]=4 208 B6R0.4 CCCC[C@@H](C)O CS-0179419 [0,1,1,0,0,0|0,0,0]=2 209 B6R0.4 CCCC[C@H](C)O CS-0179420 [0,1,1,0,0,0|0,0,0]=2 210 B6R0.4 CCCNC(C)=O CS-0246738 [0,1,1,0,0,0|1,0,1]=4 211 B6R0.4 CCNCC(C)C CS-0071534 [0,1,1,0,0,0|1,0,0]=3 212 B6R0.4 CN(C)CCCBr CS-W003771 [0,1,1,0,0,0|2,0,0]=4 213 B6R0.4 CN(C)CCCCl CS-W004690 [0,1,1,0,0,0|2,0,0]=4 214 B6R0.4 CN(C)CCCCl CS-W019575 [0,1,1,0,0,0|2,0,0]=4 215 B6R0.4 CN(C)CCCN CS-0214111 [0,1,1,0,0,0|2,0,0]=4 216 B6R0.4 CNCCC(C)C CS-0039334 [0,1,1,0,0,0|1,0,0]=3 217 B6R0.4 CNCCN(C)C CS-W022914 [0,1,1,0,0,0|2,0,0]=4 218 B6R0.4 CS(=O)CCCN CS-0286765 [0,1,1,0,0,0|2,0,0]=4 219 B6R0.4 CSCCC(C)=O CS-0206726 [0,1,1,0,0,0|1,0,1]=4 220 B6R0.4 C[C@@H](N)CCCO CS-0634445 [0,1,1,0,0,0|1,0,0]=3 221 B6R0.4 C[C@H](N)CCCO CS-0652529 [0,1,1,0,0,0|1,0,0]=3 222 B6R0.6 BrCCCCCBr CS-W019956 [0,1,1,0,0,0|1,0,0]=3 223 B6R0.6 BrCCOCCBr CS-W014174 [0,1,1,0,0,0|2,0,0]=4 224 B6R0.6 C#CCCCCCl CS-0204489 [0,1,1,0,0,0|0,0,2]=4 225 B6R0.6 C#CCCCCI CS-0088557 [0,1,1,0,0,0|0,0,2]=4 226 B6R0.6 C#CCCCCN CS-0059697 [0,1,1,0,0,0|0,0,2]=4 227 B6R0.6 C#CCCCCN CS-0106594 [0,1,1,0,0,0|0,0,2]=4 228 B6R0.6 C#CCCCCO CS-W016659 [0,1,1,0,0,0|0,0,2]=4 229 B6R0.6 C(CC)=CCCO CS-W009552 [0,1,1,0,0,0|0,0,2]=4 230 B6R0.6 C(CO)=CCCC CS-W016652 [0,1,1,0,0,0|0,0,2]=4 231 B6R0.6 C=CCCCCBr CS-W008939 [0,1,1,0,0,0|0,0,2]=4 232 B6R0.6 C=CCCCCN CS-0210385 [0,1,1,0,0,0|0,0,2]=4 233 B6R0.6 C=CCCCCO CS-W013711 [0,1,1,0,0,0|0,0,2]=4 234 B6R0.6 CCC#CCCO CS-0040171 [0,1,1,0,0,0|0,0,2]=4 235 B6R0.6 CCCCCCI CS-0132388 [0,1,1,0,0,0|0,0,0]=2 236 B6R0.6 CCCCCCN CS-0196786 [0,1,1,0,0,0|0,0,0]=2 237 B6R0.6 CCCNCCC CS-0187381 [0,1,1,0,0,0|0,0,0]=2 238 B6R0.6 CCCNCCC CS-0214120 [0,1,1,0,0,0|0,0,0]=2 239 B6R0.6 CCCNCCO CS-0105782 [0,1,1,0,0,0|1,0,0]=3 240 B6R0.6 CCCOCCCl CS-0200392 [0,1,1,0,0,0|1,0,0]=3 241 B6R0.6 CCNCCCN CS-0151962 [0,1,1,0,0,0|1,0,0]=3 242 B6R0.6 CCOCCCO CS-W013685 [0,1,1,0,0,0|1,0,0]=3 243 B6R0.6 CC\C=C/CCO CS-W011323 [0,1,1,0,0,0|0,0,2]=4 244 B6R0.6 CNCCCCBr CS-0163109 [0,1,1,0,0,0|1,0,0]=3 245 B6R0.6 CNCCCCO CS-W006493 [0,1,1,0,0,0|1,0,0]=3 246 B6R0.6 COCCCCBr CS-W021313 [0,1,1,0,0,0|1,0,0]=3 247 B6R0.6 COCCCCCl CS-0039726 [0,1,1,0,0,0|1,0,0]=3 248 B6R0.6 COCCCCO CS-0150179 [0,1,1,0,0,0|1,0,0]=3 249 B6R0.6 CSCCCCO CS-0204406 [0,1,1,0,0,0|1,0,0]=3 250 B6R0.6 ClCCCCCBr CS-W016940 [0,1,1,0,0,0|1,0,0]=3 251 B6R0.6 ClCCCCCI CS-0135342 [0,1,1,0,0,0|1,0,0]=3 252 B6R0.6 ClCCNCCCl CS-W020124 [0,1,1,0,0,0|2,0,0]=4 253 B6R0.6 FCCCCCBr CS-W005161 [0,1,1,0,0,0|1,0,0]=3 254 B6R0.6 ICCCCCI CS-0041009 [0,1,1,0,0,0|1,0,0]=3 255 B6R0.6 ICCOCCI CS-W011980 [0,1,1,0,0,0|2,0,0]=4 256 B6R0.6 N#CCCCCBr CS-D1429 [0,1,1,0,0,0|1,0,1]=4 257 B6R0.6 N#CCCCCCl CS-W022361 [0,1,1,0,0,0|1,0,1]=4 258 B6R0.6 NCCCCCBr CS-0006784 [0,1,1,0,0,0|1,0,0]=3 259 B6R0.6 NCCCCCN CS-W017466 [0,1,1,0,0,0|1,0,0]=3 260 B6R0.6 NCCCCCO CS-W013687 [0,1,1,0,0,0|1,0,0]=3 261 B6R0.6 NCCNCCN CS-0498854 [0,1,1,0,0,0|2,0,0]=4 262 B6R0.6 NCCNCCO CS-W011299 [0,1,1,0,0,0|2,0,0]=4 263 B6R0.6 NCCOCCN CS-0114847 [0,1,1,0,0,0|2,0,0]=4 264 B6R0.6 NCCOCCN CS-0115750 [0,1,1,0,0,0|2,0,0]=4 265 B6R0.6 NCCOCCO CS-1013822 [0,1,1,0,0,0|2,0,0]=4 266 B6R0.6 NCCOCCO CS-1013830 [0,1,1,0,0,0|2,0,0]=4 267 B6R0.6 NCCOCCO CS-1014116 [0,1,1,0,0,0|2,0,0]=4 268 B6R0.6 NCCSCCN CS-W013570 [0,1,1,0,0,0|2,0,0]=4 269 B6R0.6 OCCCCCBr CS-0905394 [0,1,1,0,0,0|1,0,0]=3 270 B6R0.6 OCCCCCBr CS-W007393 [0,1,1,0,0,0|1,0,0]=3 271 B6R0.6 OCCCCCCl CS-0095410 [0,1,1,0,0,0|1,0,0]=3 272 B6R0.6 OCCCCCI CS-0252955 [0,1,1,0,0,0|1,0,0]=3 273 B6R0.6 OCCCCCO CS-W020635 [0,1,1,0,0,0|1,0,0]=3 274 B6R0.6 OCCNCCCl CS-0064563 [0,1,1,0,0,0|2,0,0]=4 275 B6R0.6 OCCOCCBr CS-0114928 [0,1,1,0,0,0|2,0,0]=4 276 B6R0.6 OCCOCCCl CS-0016058 [0,1,1,0,0,0|2,0,0]=4 277 B6R0.6 OCCOCCF CS-0199113 [0,1,1,0,0,0|2,0,0]=4 278 B6R0.6 OCCOCCI CS-0139452 [0,1,1,0,0,0|2,0,0]=4 279 B6R1.2 BrC1CCNC1 CS-W005728 [0,1,0,0,1,0|1,0,0]=3 280 B6R1.2 BrC1CCOC1 CS-W004035 [0,1,0,0,1,0|1,0,0]=3 281 B6R1.2 CC1CCNC1 CS-W021968 [0,1,0,0,1,0|1,0,0]=3 282 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [0,1,0,0,1,0|1,0,0]=3 283 B6R1.2 C[C@H]1CCNC1 CS-0040457 [0,1,0,0,1,0|1,0,0]=3 284 B6R1.2 FC1CCNC1 CS-W005668 [0,1,0,0,1,0|1,0,0]=3 285 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [0,1,0,0,1,0|1,0,0]=3 286 B6R1.2 IC1CCCC1 CS-0067150 [0,1,0,0,1,0|0,0,0]=2 287 B6R1.2 IC1CCOC1 CS-W004266 [0,1,0,0,1,0|1,0,0]=3 288 B6R1.2 I[C@@H]1CCOC1 CS-0055199 [0,1,0,0,1,0|1,0,0]=3 289 B6R1.2 I[C@H]1CCOC1 CS-0053265 [0,1,0,0,1,0|1,0,0]=3 290 B6R1.2 N=C1CCCS1 CS-W016514 [0,1,0,0,1,0|1,0,1]=4 291 B6R1.2 NC1=NCCC1 CS-B0123 [0,1,0,0,1,0|1,0,1]=4 292 B6R1.2 NC1CC=CC1 CS-W022621 [0,1,0,0,1,0|0,0,2]=4 293 B6R1.2 NC1CCNC1 CS-W016190 [0,1,0,0,1,0|1,0,0]=3 294 B6R1.2 NC1CCOC1 CS-D1564 [0,1,0,0,1,0|1,0,0]=3 295 B6R1.2 NC1CCOC1 CS-W011353 [0,1,0,0,1,0|1,0,0]=3 296 B6R1.2 N[C@@H]1CCNC1 CS-W010887 [0,1,0,0,1,0|1,0,0]=3 297 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [0,1,0,0,1,0|1,0,0]=3 298 B6R1.2 N[C@H]1CCNC1 CS-W013278 [0,1,0,0,1,0|1,0,0]=3 299 B6R1.2 N[C@H]1CCOC1 CS-W019697 [0,1,0,0,1,0|1,0,0]=3 300 B6R1.2 O=C1CCCN1 CS-0197058 [0,1,0,0,1,0|1,0,1]=4 301 B6R1.2 O=C1CCNC1 CS-W005267 [0,1,0,0,1,0|1,0,1]=4 302 B6R1.2 O=C1CCOC1 CS-D1574 [0,1,0,0,1,0|1,0,1]=4 303 B6R1.2 O=C1CCSC1 CS-W011310 [0,1,0,0,1,0|1,0,1]=4 304 B6R1.2 O=S1CCCC1 CS-0207394 [0,1,0,0,1,0|1,0,0]=3 305 B6R1.2 OC1C=CCC1 CS-0451001 [0,1,0,0,1,0|0,0,2]=4 306 B6R1.2 OC1CC=CC1 CS-W002682 [0,1,0,0,1,0|0,0,2]=4 307 B6R1.2 OC1CCNC1 CS-W002985 [0,1,0,0,1,0|1,0,0]=3 308 B6R1.2 OC1CCNC1 CS-W022946 [0,1,0,0,1,0|1,0,0]=3 309 B6R1.2 OC1CCOC1 CS-M0786 [0,1,0,0,1,0|1,0,0]=3 310 B6R1.2 OC1CCSC1 CS-0185375 [0,1,0,0,1,0|1,0,0]=3 311 B6R1.2 OC1CNOC1 CS-0271204 [0,1,0,0,1,0|2,0,0]=4 312 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [0,1,0,0,1,0|1,0,0]=3 313 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [0,1,0,0,1,0|1,0,0]=3 314 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,1,0,0,1,0|1,0,0]=3 315 B6R1.2 O[C@H]1CCNC1 CS-M0906 [0,1,0,0,1,0|1,0,0]=3 316 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,1,0,0,1,0|1,0,0]=3 317 B6R1.2 O[C@H]1CCOC1 CS-D0600 [0,1,0,0,1,0|1,0,0]=3 318 B6R1.2 O[C@H]1CNOC1 CS-0060087 [0,1,0,0,1,0|2,0,0]=4 319 B6R1.2 SC1=NCCC1 CS-W013703 [0,1,0,0,1,0|1,0,1]=4 320 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [0,1,0,0,1,0|1,0,0]=3 321 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [0,1,0,0,1,0|1,0,0]=3 322 B8R1.22 BrC1=CCCCCC1 CS-0448697 [0,1,0,0,0,1|0,0,1]=3 323 B8R1.22 BrC1CCCCCC1 CS-0146614 [0,1,0,0,0,1|0,0,0]=2 324 B8R1.22 C=C1OCCCCO1 CS-W006464 [0,1,0,0,0,1|1,0,1]=4 325 B8R1.22 CC1CCCNCC1 CS-0199646 [0,1,0,0,0,1|0,0,0]=2 326 B8R1.22 CN1CCCNCC1 CS-W013631 [0,1,0,0,0,1|1,0,0]=3 327 B8R1.22 ClC1CCCCCC1 CS-0155300 [0,1,0,0,0,1|0,0,0]=2 328 B8R1.22 FC1CCCCNC1 CS-0308682 [0,1,0,0,0,1|0,0,0]=2 329 B8R1.22 NC1CCCCCC1 CS-0071927 [0,1,0,0,0,1|0,0,0]=2 330 B8R1.22 NC1CCCCNC1 CS-W002928 [0,1,0,0,0,1|0,0,0]=2 331 B8R1.22 NC1CCCNCC1 CS-0271304 [0,1,0,0,0,1|0,0,0]=2 332 B8R1.22 N[C@@H]1CCCCNC1 CS-M3616 [0,1,0,0,0,1|0,0,0]=2 333 B8R1.22 N[C@H]1CCCCNC1 CS-0147270 [0,1,0,0,0,1|0,0,0]=2 334 B8R1.22 O=C1C=CCCCC1 CS-W007594 [0,1,0,0,0,1|0,0,2]=4 335 B8R1.22 O=C1CCCCCN1 CS-W011258 [0,1,0,0,0,1|0,0,1]=3 336 B8R1.22 O=C1CCCCNC1 CS-0155246 [0,1,0,0,0,1|0,0,1]=3 337 B8R1.22 O=C1CCCNCC1 CS-W001845 [0,1,0,0,0,1|0,0,1]=3 338 B8R1.22 O=C1CCNCCN1 CS-W003673 [0,1,0,0,0,1|1,0,1]=4 339 B8R1.22 O=C1CCOCCN1 CS-W021289 [0,1,0,0,0,1|1,0,1]=4 340 B8R1.22 O=C1COCCCN1 CS-0037454 [0,1,0,0,0,1|1,0,1]=4 341 B8R1.22 O=C1OCCCCO1 CS-0665438 [0,1,0,0,0,1|1,0,1]=4 342 B8R1.22 OC1=NCCNCC1 CS-W011246 [0,1,0,0,0,1|1,0,1]=4 343 B8R1.22 OC1CCCCCC1 CS-W013633 [0,1,0,0,0,1|0,0,0]=2 344 B8R1.22 OC1CCCCNC1 CS-0475252 [0,1,0,0,0,1|0,0,0]=2 345 B8R1.22 OC1CCCNCC1 CS-0038201 [0,1,0,0,0,1|0,0,0]=2 346 B8R1.22 O[C@@H]1CNCCOC1 CS-0311689 [0,1,0,0,0,1|1,0,0]=3 347 B8R1.22 O[C@H]1CNCCOC1 CS-0340560 [0,1,0,0,0,1|1,0,0]=3 348 B8R1.22 O[C@H]1CNCCOC1 CS-0641374 [0,1,0,0,0,1|1,0,0]=3 349 B8R1.2 BrCC1CCCCC1 CS-W007517 [0,2,0,0,0,0|0,0,0]=2 350 B8R1.2 BrCC1CCCCO1 CS-0214963 [0,2,0,0,0,0|1,0,0]=3 351 B8R1.2 BrCC1CCNCC1 CS-W001304 [0,2,0,0,0,0|1,0,0]=3 352 B8R1.2 BrCC1CCOCC1 CS-W003105 [0,2,0,0,0,0|1,0,0]=3 353 B8R1.2 C#CC1=CCCCC1 CS-0186341 [0,2,0,0,0,0|0,0,2]=4 354 B8R1.2 C#CC1CCCCC1 CS-W022720 [0,2,0,0,0,0|0,0,0]=2 355 B8R1.2 C#CC1CCCNC1 CS-0040070 [0,2,0,0,0,0|1,0,0]=3 356 B8R1.2 C#CC1CCNCC1 CS-0050866 [0,2,0,0,0,0|1,0,0]=3 357 B8R1.2 C#CC1CCOCC1 CS-0050867 [0,2,0,0,0,0|1,0,0]=3 358 B8R1.2 CCC1CCNCC1 CS-0147296 [0,2,0,0,0,0|1,0,0]=3 359 B8R1.2 CCC1CNCCN1 CS-D0270 [0,2,0,0,0,0|2,0,0]=4 360 B8R1.2 CCC1CNCCO1 CS-0080681 [0,2,0,0,0,0|2,0,0]=4 361 B8R1.2 CCC1COCCN1 CS-0059261 [0,2,0,0,0,0|2,0,0]=4 362 B8R1.2 CC[C@@H]1CNCCO1 CS-0096526 [0,2,0,0,0,0|2,0,0]=4 363 B8R1.2 CC[C@@H]1COCCN1 CS-0146937 [0,2,0,0,0,0|2,0,0]=4 364 B8R1.2 CC[C@@H]1COCCN1 CS-0146943 [0,2,0,0,0,0|2,0,0]=4 365 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [0,2,0,0,0,0|2,0,0]=4 366 B8R1.2 CC[C@H]1CNCCO1 CS-0100795 [0,2,0,0,0,0|2,0,0]=4 367 B8R1.2 CC[C@H]1COCCN1 CS-0146945 [0,2,0,0,0,0|2,0,0]=4 368 B8R1.2 CNC1CCCNC1 CS-W016863 [0,2,0,0,0,0|1,0,0]=3 369 B8R1.2 CNC1CCNCC1 CS-0048783 [0,2,0,0,0,0|1,0,0]=3 370 B8R1.2 CNC1CCOCC1 CS-D1570 [0,2,0,0,0,0|1,0,0]=3 371 B8R1.2 COC1=NCCCC1 CS-0150206 [0,2,0,0,0,0|1,0,1]=4 372 B8R1.2 COC1CCCCO1 CS-0197358 [0,2,0,0,0,0|1,0,0]=3 373 B8R1.2 COC1CCCNC1 CS-0051284 [0,2,0,0,0,0|1,0,0]=3 374 B8R1.2 COC1CCCNC1 CS-0150202 [0,2,0,0,0,0|1,0,0]=3 375 B8R1.2 COC1CCNCC1 CS-0040128 [0,2,0,0,0,0|1,0,0]=3 376 B8R1.2 COC1CCNCC1 CS-W005038 [0,2,0,0,0,0|1,0,0]=3 377 B8R1.2 CO[C@@H]1CCCNC1 CS-0053772 [0,2,0,0,0,0|1,0,0]=3 378 B8R1.2 CO[C@H]1CCCNC1 CS-0053262 [0,2,0,0,0,0|1,0,0]=3 379 B8R1.2 CSC1CCNCC1 CS-0051141 [0,2,0,0,0,0|1,0,0]=3 380 B8R1.2 ClCC1CCNCC1 CS-0051167 [0,2,0,0,0,0|1,0,0]=3 381 B8R1.2 ClCC1CCOCC1 CS-0069602 [0,2,0,0,0,0|1,0,0]=3 382 B8R1.2 ClCC1CNCCO1 CS-0060823 [0,2,0,0,0,0|2,0,0]=4 383 B8R1.2 FCC1CCCNC1 CS-W001354 [0,2,0,0,0,0|1,0,0]=3 384 B8R1.2 ICC1CCCCC1 CS-0155327 [0,2,0,0,0,0|0,0,0]=2 385 B8R1.2 ICC1CCCCO1 CS-0058218 [0,2,0,0,0,0|1,0,0]=3 386 B8R1.2 ICC1CCOCC1 CS-W001910 [0,2,0,0,0,0|1,0,0]=3 387 B8R1.2 N#CC1=CCCCC1 CS-0155409 [0,2,0,0,0,0|0,0,2]=4 388 B8R1.2 N#CC1CCCCC1 CS-W019522 [0,2,0,0,0,0|0,0,0]=2 389 B8R1.2 N#CC1CCCCN1 CS-0187605 [0,2,0,0,0,0|1,0,0]=3 390 B8R1.2 N#CC1CCCNC1 CS-0315616 [0,2,0,0,0,0|1,0,0]=3 391 B8R1.2 N#CC1CCNCC1 CS-0007612 [0,2,0,0,0,0|1,0,0]=3 392 B8R1.2 N#CC1CCNCC1 CS-0019876 [0,2,0,0,0,0|1,0,0]=3 393 B8R1.2 N#CC1CCOCC1 CS-W019661 [0,2,0,0,0,0|1,0,0]=3 394 B8R1.2 N#CC1CNCCN1 CS-W005671 [0,2,0,0,0,0|2,0,0]=4 395 B8R1.2 N#CC1CNCCO1 CS-W005833 [0,2,0,0,0,0|2,0,0]=4 396 B8R1.2 N#CN1CCOCC1 CS-W016616 [0,2,0,0,0,0|2,0,0]=4 397 B8R1.2 N#C[C@@H]1CCCNC1 CS-0053312 [0,2,0,0,0,0|1,0,0]=3 398 B8R1.2 N#C[C@@H]1CCCNC1 CS-0060758 [0,2,0,0,0,0|1,0,0]=3 399 B8R1.2 N#C[C@@H]1CNCCO1 CS-0103653 [0,2,0,0,0,0|2,0,0]=4 400 B8R1.2 N#C[C@H]1CNCCN1 CS-B0448 [0,2,0,0,0,0|2,0,0]=4 401 B8R1.2 NCC1CCCCN1 CS-W011240 [0,2,0,0,0,0|1,0,0]=3 402 B8R1.2 NCC1CCCNC1 CS-0028231 [0,2,0,0,0,0|1,0,0]=3 403 B8R1.2 NCC1CCCOC1 CS-0048770 [0,2,0,0,0,0|1,0,0]=3 404 B8R1.2 NCC1CCNCC1 CS-W011241 [0,2,0,0,0,0|1,0,0]=3 405 B8R1.2 NCC1CCOCC1 CS-0036420 [0,2,0,0,0,0|1,0,0]=3 406 B8R1.2 NCC1CCOCC1 CS-W008973 [0,2,0,0,0,0|1,0,0]=3 407 B8R1.2 NCC1CCSCC1 CS-0045666 [0,2,0,0,0,0|1,0,0]=3 408 B8R1.2 NCC1CNCCO1 CS-0046184 [0,2,0,0,0,0|2,0,0]=4 409 B8R1.2 NCC1COCCO1 CS-0055041 [0,2,0,0,0,0|2,0,0]=4 410 B8R1.2 NC[C@@H]1COCCO1 CS-0037059 [0,2,0,0,0,0|2,0,0]=4 411 B8R1.2 NC[C@H]1COCCO1 CS-0053454 [0,2,0,0,0,0|2,0,0]=4 412 B8R1.2 NNC1CCCCC1 CS-W007595 [0,2,0,0,0,0|0,0,0]=2 413 B8R1.2 NNC1CCNCC1 CS-0109590 [0,2,0,0,0,0|1,0,0]=3 414 B8R1.2 NNC1CCOCC1 CS-0037407 [0,2,0,0,0,0|1,0,0]=3 415 B8R1.2 NNC1CCOCC1 CS-0047579 [0,2,0,0,0,0|1,0,0]=3 416 B8R1.2 NNC1CCOCC1 CS-B0289 [0,2,0,0,0,0|1,0,0]=3 417 B8R1.2 NOC1CCCCO1 CS-W007325 [0,2,0,0,0,0|1,0,0]=3 418 B8R1.2 O=CC1CCNCC1 CS-0171609 [0,2,0,0,0,0|1,0,0]=3 419 B8R1.2 O=CC1CCOCC1 CS-D1228 [0,2,0,0,0,0|1,0,0]=3 420 B8R1.2 O=CC1CCSCC1 CS-0199595 [0,2,0,0,0,0|1,0,0]=3 421 B8R1.2 O=CN1CCCCC1 CS-W016610 [0,2,0,0,0,0|1,0,0]=3 422 B8R1.2 O=CN1CCNCC1 CS-W016606 [0,2,0,0,0,0|2,0,0]=4 423 B8R1.2 O=CN1CCOCC1 CS-W016603 [0,2,0,0,0,0|2,0,0]=4 424 B8R1.2 O=NN1CCOCC1 CS-0128913 [0,2,0,0,0,0|2,0,0]=4 425 B8R1.2 OCC1CC=CCC1 CS-W013655 [0,2,0,0,0,0|0,0,2]=4 426 B8R1.2 OCC1CCCCC1 CS-W011242 [0,2,0,0,0,0|0,0,0]=2 427 B8R1.2 OCC1CCCCN1 CS-W013620 [0,2,0,0,0,0|1,0,0]=3 428 B8R1.2 OCC1CCCCO1 CS-0034490 [0,2,0,0,0,0|1,0,0]=3 429 B8R1.2 OCC1CCCNC1 CS-W001981 [0,2,0,0,0,0|1,0,0]=3 430 B8R1.2 OCC1CCCOC1 CS-D0478 [0,2,0,0,0,0|1,0,0]=3 431 B8R1.2 OCC1CCNCC1 CS-0185406 [0,2,0,0,0,0|1,0,0]=3 432 B8R1.2 OCC1CCNCC1 CS-W002476 [0,2,0,0,0,0|1,0,0]=3 433 B8R1.2 OCC1CCOCC1 CS-D1227 [0,2,0,0,0,0|1,0,0]=3 434 B8R1.2 OCC1CCSCC1 CS-0053969 [0,2,0,0,0,0|1,0,0]=3 435 B8R1.2 OCC1CNCCN1 CS-0146587 [0,2,0,0,0,0|2,0,0]=4 436 B8R1.2 OCC1CNCCO1 CS-0106282 [0,2,0,0,0,0|2,0,0]=4 437 B8R1.2 OCC1CNCCO1 CS-W022892 [0,2,0,0,0,0|2,0,0]=4 438 B8R1.2 OCC1COCCN1 CS-0053095 [0,2,0,0,0,0|2,0,0]=4 439 B8R1.2 OCC1COCCN1 CS-0104915 [0,2,0,0,0,0|2,0,0]=4 440 B8R1.2 OCC1COCCO1 CS-0130467 [0,2,0,0,0,0|2,0,0]=4 441 B8R1.2 OC[C@@H]1CCCCN1 CS-W001568 [0,2,0,0,0,0|1,0,0]=3 442 B8R1.2 OC[C@@H]1CCCNC1 CS-0030374 [0,2,0,0,0,0|1,0,0]=3 443 B8R1.2 OC[C@@H]1CCCNC1 CS-W018674 [0,2,0,0,0,0|1,0,0]=3 444 B8R1.2 OC[C@@H]1CNCCN1 CS-0146586 [0,2,0,0,0,0|2,0,0]=4 445 B8R1.2 OC[C@@H]1CNCCO1 CS-W003855 [0,2,0,0,0,0|2,0,0]=4 446 B8R1.2 OC[C@@H]1COCCN1 CS-0034507 [0,2,0,0,0,0|2,0,0]=4 447 B8R1.2 OC[C@@H]1COCCN1 CS-W018991 [0,2,0,0,0,0|2,0,0]=4 448 B8R1.2 OC[C@@H]1COCCO1 CS-0041581 [0,2,0,0,0,0|2,0,0]=4 449 B8R1.2 OC[C@H]1CCCCN1 CS-W018567 [0,2,0,0,0,0|1,0,0]=3 450 B8R1.2 OC[C@H]1CCCNC1 CS-0133006 [0,2,0,0,0,0|1,0,0]=3 451 B8R1.2 OC[C@H]1CCCNC1 CS-W019674 [0,2,0,0,0,0|1,0,0]=3 452 B8R1.2 OC[C@H]1CNCCN1 CS-0042552 [0,2,0,0,0,0|2,0,0]=4 453 B8R1.2 OC[C@H]1CNCCN1 CS-0106317 [0,2,0,0,0,0|2,0,0]=4 454 B8R1.2 OC[C@H]1CNCCO1 CS-0108806 [0,2,0,0,0,0|2,0,0]=4 455 B8R1.2 OC[C@H]1CNCCO1 CS-W003761 [0,2,0,0,0,0|2,0,0]=4 456 B8R1.2 OC[C@H]1COCCN1 CS-0031401 [0,2,0,0,0,0|2,0,0]=4 457 B8R1.2 OC[C@H]1COCCN1 CS-W006711 [0,2,0,0,0,0|2,0,0]=4 458 B8R1.2 OC[C@H]1COCCO1 CS-0102180 [0,2,0,0,0,0|2,0,0]=4 459 B8R1.2 ON=C1CCOCC1 CS-0045844 [0,2,0,0,0,0|1,0,1]=4 460 B8R1.2 ON=C1CCSCC1 CS-0045803 [0,2,0,0,0,0|1,0,1]=4 461 B8R1.2 ONC1CCCCC1 CS-0155321 [0,2,0,0,0,0|0,0,0]=2 462 B8R1.3 CC1CCC(=O)CC1 CS-W013656 [0,2,0,0,0,0|0,0,1]=3 463 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [0,2,0,0,0,0|1,0,1]=4 464 B8R1.3 CC1CCC(O)CC1 CS-0059254 [0,2,0,0,0,0|0,0,0]=2 465 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,2,0,0,0,0|1,0,1]=4 466 B8R1.3 CN1CCC(Br)CC1 CS-0054167 [0,2,0,0,0,0|1,0,0]=3 467 B8R1.3 CN1CCC(Cl)CC1 CS-W013387 [0,2,0,0,0,0|1,0,0]=3 468 B8R1.3 CN1CCC(N)CC1 CS-0151104 [0,2,0,0,0,0|1,0,0]=3 469 B8R1.3 CN1CCC(N)CC1 CS-W016605 [0,2,0,0,0,0|1,0,0]=3 470 B8R1.3 CN1CCC(O)CC1 CS-W019412 [0,2,0,0,0,0|1,0,0]=3 471 B8R1.3 CN1CCN(N)CC1 CS-0071327 [0,2,0,0,0,0|2,0,0]=4 472 B8R1.3 C[C@@H]1CO[C@H](C)CN1 CS-0158230 [0,2,0,0,0,0|2,0,0]=4 473 B8R1.3 C[C@H]1CC[C@@H](N)CC1 CS-0170852 [0,2,0,0,0,0|0,0,0]=2 474 B8R1.3 C[C@H]1CC[C@@H](O)CC1 CS-0180937 [0,2,0,0,0,0|0,0,0]=2 475 B8R1.3 C[C@H]1CC[C@H](N)CC1 CS-W003376 [0,2,0,0,0,0|0,0,0]=2 476 B8R1.3 C[C@H]1CC[C@H](N)CC1 CS-W011254 [0,2,0,0,0,0|0,0,0]=2 477 B8R1.3 C[C@H]1CC[C@H](O)CC1 CS-0180938 [0,2,0,0,0,0|0,0,0]=2 478 B8R1.3 C[C@H]1CN[C@@H](C)CN1 CS-0048757 [0,2,0,0,0,0|2,0,0]=4 479 B8R1.3 C[C@H]1CN[C@H](C)CN1 CS-B1271 [0,2,0,0,0,0|2,0,0]=4 480 B8R1.3 C[C@H]1CO[C@@H](C)CN1 CS-W021076 [0,2,0,0,0,0|2,0,0]=4 481 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,2,0,0,0,0|0,0,1]=3 482 B8R1.3 NC1CCC(=O)NC1 CS-0050676 [0,2,0,0,0,0|1,0,1]=4 483 B8R1.3 NC1CCC(Br)CC1 CS-0039218 [0,2,0,0,0,0|0,0,0]=2 484 B8R1.3 NC1CCC(N)CC1 CS-0096883 [0,2,0,0,0,0|0,0,0]=2 485 B8R1.3 NC1CCC(O)CC1 CS-0127650 [0,2,0,0,0,0|0,0,0]=2 486 B8R1.3 NC1CCC(O)CC1 CS-W019318 [0,2,0,0,0,0|0,0,0]=2 487 B8R1.3 NN1CCC(O)CC1 CS-0044231 [0,2,0,0,0,0|1,0,0]=3 488 B8R1.3 N[C@H]1CCC(=O)NC1 CS-0185259 [0,2,0,0,0,0|1,0,1]=4 489 B8R1.3 N[C@H]1CC[C@@H](N)CC1 CS-0096882 [0,2,0,0,0,0|0,0,0]=2 490 B8R1.3 N[C@H]1CC[C@@H](O)CC1 CS-0049680 [0,2,0,0,0,0|0,0,0]=2 491 B8R1.3 N[C@H]1CC[C@@H](O)CC1 CS-W019682 [0,2,0,0,0,0|0,0,0]=2 492 B8R1.3 N[C@H]1CC[C@H](N)CC1 CS-W007732 [0,2,0,0,0,0|0,0,0]=2 493 B8R1.3 N[C@H]1CC[C@H](O)CC1 CS-W019841 [0,2,0,0,0,0|0,0,0]=2 494 B8R1.3 N[C@H]1CC[C@H](O)CC1 CS-W023031 [0,2,0,0,0,0|0,0,0]=2 495 B8R1.3 O=C1CCC(=O)CC1 CS-W011270 [0,2,0,0,0,0|0,0,2]=4 496 B8R1.3 O=C1CCC(O)CC1 CS-D0911 [0,2,0,0,0,0|0,0,1]=3 497 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,2,0,0,0,0|1,0,1]=4 498 B8R1.3 O=C1CCS(=O)CC1 CS-0188184 [0,2,0,0,0,0|1,0,1]=4 499 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,2,0,0,0,0|1,0,1]=4 500 B8R1.3 OC1CCC(O)CC1 CS-W007850 [0,2,0,0,0,0|0,0,0]=2 501 B8R1.3 OC1COC(O)CO1 CS-W004661 [0,2,0,0,0,0|2,0,0]=4 502 B8R1.3 OC1CSC(O)CS1 CS-W018087 [0,2,0,0,0,0|2,0,0]=4 503 B8R1.3 O[C@H]1CC[C@@H](O)CC1 CS-0049754 [0,2,0,0,0,0|0,0,0]=2 504 B8R1.3 [C@H]1(O)CC[C@H](O)CC1 CS-W005575 [0,2,0,0,0,0|0,0,0]=2 505 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [0,2,0,0,0,0|1,0,1]=4 506 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [0,2,0,0,0,0|1,0,1]=4 507 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [0,2,0,0,0,0|1,0,1]=4 508 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [0,2,0,0,0,0|1,0,1]=4 509 B8R1.4 CC1CCCC(N)C1 CS-D0430 [0,2,0,0,0,0|0,0,0]=2 510 B8R1.4 CC1CN(C)CCN1 CS-0173710 [0,2,0,0,0,0|2,0,0]=4 511 B8R1.4 CC1CNCC(C)N1 CS-W013629 [0,2,0,0,0,0|2,0,0]=4 512 B8R1.4 CC1COCC(C)N1 CS-0075433 [0,2,0,0,0,0|2,0,0]=4 513 B8R1.4 CN1CCCC(N)C1 CS-W003989 [0,2,0,0,0,0|1,0,0]=3 514 B8R1.4 CN1CCC[C@@H](N)C1 CS-0030803 [0,2,0,0,0,0|1,0,0]=3 515 B8R1.4 CN1CCC[C@@H](N)C1 CS-0053341 [0,2,0,0,0,0|1,0,0]=3 516 B8R1.4 CN1CCC[C@H](N)C1 CS-0053774 [0,2,0,0,0,0|1,0,0]=3 517 B8R1.4 CN1CCC[C@H](N)C1 CS-W021153 [0,2,0,0,0,0|1,0,0]=3 518 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [0,2,0,0,0,0|1,0,1]=4 519 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [0,2,0,0,0,0|1,0,1]=4 520 B8R1.4 C[C@@H]1CN(C)CCN1 CS-0006865 [0,2,0,0,0,0|2,0,0]=4 521 B8R1.4 C[C@@H]1CN(C)CCN1 CS-0067514 [0,2,0,0,0,0|2,0,0]=4 522 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 CS-0001868 [0,2,0,0,0,0|2,0,0]=4 523 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 CS-0088046 [0,2,0,0,0,0|2,0,0]=4 524 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 CS-W005832 [0,2,0,0,0,0|2,0,0]=4 525 B8R1.4 C[C@@H]1CNC[C@H](C)C1 CS-0139658 [0,2,0,0,0,0|1,0,0]=3 526 B8R1.4 C[C@@H]1COC[C@@H](C)N1 CS-0084653 [0,2,0,0,0,0|2,0,0]=4 527 B8R1.4 C[C@@H]1COC[C@@H](C)N1 CS-0112796 [0,2,0,0,0,0|2,0,0]=4 528 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [0,2,0,0,0,0|1,0,1]=4 529 B8R1.4 C[C@H]1CCC[C@@H](C)N1 CS-0015754 [0,2,0,0,0,0|1,0,0]=3 530 B8R1.4 C[C@H]1CCC[C@@H](C)N1 CS-0995219 [0,2,0,0,0,0|1,0,0]=3 531 B8R1.4 C[C@H]1CN(C)CCN1 CS-0054951 [0,2,0,0,0,0|2,0,0]=4 532 B8R1.4 C[C@H]1CN(C)CCN1 CS-0183803 [0,2,0,0,0,0|2,0,0]=4 533 B8R1.4 C[C@H]1CNC[C@@H](C)N1 CS-W013630 [0,2,0,0,0,0|2,0,0]=4 534 B8R1.4 C[C@H]1CNC[C@@H](C)O1 CS-0008437 [0,2,0,0,0,0|2,0,0]=4 535 B8R1.4 C[C@H]1CNC[C@H](C)O1 CS-0102294 [0,2,0,0,0,0|2,0,0]=4 536 B8R1.4 C[C@H]1COC[C@@H](C)N1 CS-0049722 [0,2,0,0,0,0|2,0,0]=4 537 B8R1.4 C[C@H]1COC[C@@H](C)N1 CS-0057260 [0,2,0,0,0,0|2,0,0]=4 538 B8R1.4 C[C@H]1COC[C@H](C)N1 CS-0102260 [0,2,0,0,0,0|2,0,0]=4 539 B8R1.4 C[C@H]1COC[C@H](C)N1 CS-0147828 [0,2,0,0,0,0|2,0,0]=4 540 B8R1.4 NC1CCCC(N)C1 CS-0129557 [0,2,0,0,0,0|0,0,0]=2 541 B8R1.4 NC1CCCC(O)C1 CS-W005423 [0,2,0,0,0,0|0,0,0]=2 542 B8R1.4 NC1CCNC(=O)C1 CS-0051036 [0,2,0,0,0,0|1,0,1]=4 543 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 CS-0047790 [0,2,0,0,0,0|0,0,0]=2 544 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 CS-0134685 [0,2,0,0,0,0|0,0,0]=2 545 B8R1.4 N[C@@H]1CCC[C@H](O)C1 CS-0112892 [0,2,0,0,0,0|0,0,0]=2 546 B8R1.4 N[C@H]1CCC[C@@H](N)C1 CS-0047588 [0,2,0,0,0,0|0,0,0]=2 547 B8R1.4 O=C1CC(O)CCN1 CS-W003628 [0,2,0,0,0,0|1,0,1]=4 548 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [0,2,0,0,0,0|0,0,2]=4 549 B8R1.4 O=C1C[C@@H](O)CCN1 CS-W021175 [0,2,0,0,0,0|1,0,1]=4 550 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [0,2,0,0,0,0|1,0,1]=4 551 B8R1.5 CC1CCCCC1N CS-W013646 [0,2,0,0,0,0|0,0,0]=2 552 B8R1.5 CC1CCCNC1=O CS-0186670 [0,2,0,0,0,0|1,0,1]=4 553 B8R1.5 CC1CNCCC1=O CS-D0046 [0,2,0,0,0,0|1,0,1]=4 554 B8R1.5 CC1CNCCC1=O CS-D0300 [0,2,0,0,0,0|1,0,1]=4 555 B8R1.5 CC1CNCCC1O CS-0051241 [0,2,0,0,0,0|1,0,0]=3 556 B8R1.5 CC1CNCCN1C CS-W005051 [0,2,0,0,0,0|2,0,0]=4 557 B8R1.5 CC1COCCC1=O CS-W003860 [0,2,0,0,0,0|1,0,1]=4 558 B8R1.5 C[C@@H]1CCCC[C@@H]1N CS-0158236 [0,2,0,0,0,0|0,0,0]=2 559 B8R1.5 C[C@@H]1CNCCN1C CS-0006864 [0,2,0,0,0,0|2,0,0]=4 560 B8R1.5 C[C@@H]1CNCCN1C CS-0053508 [0,2,0,0,0,0|2,0,0]=4 561 B8R1.5 C[C@@H]1CNCC[C@H]1O CS-0051211 [0,2,0,0,0,0|1,0,0]=3 562 B8R1.5 C[C@H]1CCCC[C@H]1N CS-0162390 [0,2,0,0,0,0|0,0,0]=2 563 B8R1.5 C[C@H]1CNCCN1C CS-0006863 [0,2,0,0,0,0|2,0,0]=4 564 B8R1.5 C[C@H]1CNCCN1C CS-0053455 [0,2,0,0,0,0|2,0,0]=4 565 B8R1.5 Cl[C@@H]1CCCC[C@H]1Cl CS-0455908 [0,2,0,0,0,0|0,0,0]=2 566 B8R1.5 NC1CCCCC1=O CS-0099232 [0,2,0,0,0,0|0,0,1]=3 567 B8R1.5 NC1CCCCC1N CS-0514846 [0,2,0,0,0,0|0,0,0]=2 568 B8R1.5 NC1CCCCC1O CS-0128497 [0,2,0,0,0,0|0,0,0]=2 569 B8R1.5 NC1CCCCC1O CS-0330487 [0,2,0,0,0,0|0,0,0]=2 570 B8R1.5 NC1CCCN=C1O CS-W005854 [0,2,0,0,0,0|1,0,1]=4 571 B8R1.5 NC1CCCNC1=O CS-D0182 [0,2,0,0,0,0|1,0,1]=4 572 B8R1.5 N[C@@H]1CCCC[C@@H]1O CS-W008418 [0,2,0,0,0,0|0,0,0]=2 573 B8R1.5 N[C@@H]1CCCC[C@H]1F CS-0038959 [0,2,0,0,0,0|0,0,0]=2 574 B8R1.5 N[C@@H]1CCCC[C@H]1N CS-0019667 [0,2,0,0,0,0|0,0,0]=2 575 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0062471 [0,2,0,0,0,0|0,0,0]=2 576 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0096323 [0,2,0,0,0,0|0,0,0]=2 577 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-W003455 [0,2,0,0,0,0|0,0,0]=2 578 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-W005443 [0,2,0,0,0,0|0,0,0]=2 579 B8R1.5 N[C@@H]1CCCNC1=O CS-0102181 [0,2,0,0,0,0|1,0,1]=4 580 B8R1.5 N[C@@H]1CCOC[C@@H]1F CS-0049705 [0,2,0,0,0,0|1,0,0]=3 581 B8R1.5 N[C@@H]1CCOC[C@@H]1O CS-0049677 [0,2,0,0,0,0|1,0,0]=3 582 B8R1.5 N[C@@H]1CCOC[C@H]1O CS-0053238 [0,2,0,0,0,0|1,0,0]=3 583 B8R1.5 N[C@@H]1COCC[C@H]1O CS-0053305 [0,2,0,0,0,0|1,0,0]=3 584 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-D0607 [0,2,0,0,0,0|0,0,0]=2 585 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-W019691 [0,2,0,0,0,0|0,0,0]=2 586 B8R1.5 N[C@H]1CCCC[C@H]1N CS-M3552 [0,2,0,0,0,0|0,0,0]=2 587 B8R1.5 N[C@H]1CCCC[C@H]1O CS-0134767 [0,2,0,0,0,0|0,0,0]=2 588 B8R1.5 N[C@H]1CCCC[C@H]1O CS-W008152 [0,2,0,0,0,0|0,0,0]=2 589 B8R1.5 N[C@H]1CCCNC1=O CS-0112427 [0,2,0,0,0,0|1,0,1]=4 590 B8R1.5 N[C@H]1CCOC[C@@H]1F CS-0047782 [0,2,0,0,0,0|1,0,0]=3 591 B8R1.5 N[C@H]1CCOC[C@@H]1O CS-0029596 [0,2,0,0,0,0|1,0,0]=3 592 B8R1.5 O=C1CCCCC1=O CS-W007347 [0,2,0,0,0,0|0,0,2]=4 593 B8R1.5 O=C1CCCCC1Cl CS-W013402 [0,2,0,0,0,0|0,0,1]=3 594 B8R1.5 O=C1CCCCC1O CS-0262973 [0,2,0,0,0,0|0,0,1]=3 595 B8R1.5 O=C1CCNCC1F CS-0044438 [0,2,0,0,0,0|1,0,1]=4 596 B8R1.5 O=C1CCOCC1Br CS-0039271 [0,2,0,0,0,0|1,0,1]=4 597 B8R1.5 O=C1CCOCC1F CS-0051355 [0,2,0,0,0,0|1,0,1]=4 598 B8R1.5 O=C1NCCCC1O CS-W008630 [0,2,0,0,0,0|1,0,1]=4 599 B8R1.5 OC1CCCCC1Cl CS-W016535 [0,2,0,0,0,0|0,0,0]=2 600 B8R1.5 OC1CCCCC1O CS-0155355 [0,2,0,0,0,0|0,0,0]=2 601 B8R1.5 O[C@@H]1CCCC[C@H]1O CS-W011230 [0,2,0,0,0,0|0,0,0]=2 602 B8R1.5 O[C@@H]1CNCC[C@H]1F CS-0053301 [0,2,0,0,0,0|1,0,0]=3 603 B8R1.5 O[C@@H]1CSSC[C@H]1O CS-0157913 [0,2,0,0,0,0|2,0,0]=4 604 B8R1.5 O[C@H]1CCCC[C@H]1O CS-0059289 [0,2,0,0,0,0|0,0,0]=2 605 B8R1.5 O[C@H]1CCNC[C@H]1F CS-0058642 [0,2,0,0,0,0|1,0,0]=3 606 B8R1.5 O[C@H]1CNCC[C@H]1O CS-0049724 [0,2,0,0,0,0|1,0,0]=3 607 B8R1.72 CC1(C)CCNCC1 CS-W005691 [0,2,0,0,0,0|1,0,0]=3 608 B8R1.72 CC1(C)CNCCN1 CS-D0739 [0,2,0,0,0,0|2,0,0]=4 609 B8R1.72 CC1(C)CNCCO1 CS-W003622 [0,2,0,0,0,0|2,0,0]=4 610 B8R1.72 CC1(C)COCCN1 CS-0094495 [0,2,0,0,0,0|2,0,0]=4 611 B8R1.72 CC1(F)CCNCC1 CS-0187010 [0,2,0,0,0,0|1,0,0]=3 612 B8R1.72 CC1(N)CCOCC1 CS-0039635 [0,2,0,0,0,0|1,0,0]=3 613 B8R1.72 CC1(N)CCOCC1 CS-W018780 [0,2,0,0,0,0|1,0,0]=3 614 B8R1.72 CC1(O)CCCCC1 CS-W013634 [0,2,0,0,0,0|0,0,0]=2 615 B8R1.72 CC1(O)CCCNC1 CS-0051242 [0,2,0,0,0,0|1,0,0]=3 616 B8R1.72 CC1(O)CCCNC1 CS-0183561 [0,2,0,0,0,0|1,0,0]=3 617 B8R1.72 CC1(O)CCNCC1 CS-B1024 [0,2,0,0,0,0|1,0,0]=3 618 B8R1.72 CC1(O)CCNCC1 CS-M0531 [0,2,0,0,0,0|1,0,0]=3 619 B8R1.72 CC1(O)CCNCC1 CS-W004838 [0,2,0,0,0,0|1,0,0]=3 620 B8R1.72 CC1(O)CCOCC1 CS-W006621 [0,2,0,0,0,0|1,0,0]=3 621 B8R1.72 C[C@@]1(O)CCCNC1 CS-0184477 [0,2,0,0,0,0|1,0,0]=3 622 B8R1.72 C[N+]1(C)CCCCC1 CS-W018164 [0,2,0,0,0,0|1,0,0]=3 623 B8R1.72 C[N+]1([O-])CCOCC1 CS-0226155 [0,2,0,0,0,0|2,0,0]=4 624 B8R1.72 C[N+]1([O-])CCOCC1 CS-0369372 [0,2,0,0,0,0|2,0,0]=4 625 B8R1.72 C[Si]1(C)CCNCC1 CS-0043662 [0,2,0,0,0,0|1,1,0]=4 626 B8R1.72 FC1(F)CCCNC1 CS-W001579 [0,2,0,0,0,0|1,0,0]=3 627 B8R1.72 FC1(F)CCNCC1 CS-0028285 [0,2,0,0,0,0|1,0,0]=3 628 B8R1.72 FC1(F)CCNCC1 CS-W001440 [0,2,0,0,0,0|1,0,0]=3 629 B8R1.72 N=S1(=O)CCCCC1 CS-0134127 [0,2,0,0,0,0|1,0,0]=3 630 B8R1.72 N=S1(=O)CCNCC1 CS-0163183 [0,2,0,0,0,0|2,0,0]=4 631 B8R1.72 N=S1(=O)CCOCC1 CS-0134129 [0,2,0,0,0,0|2,0,0]=4 632 B8R1.72 O=S1(=O)CCCCN1 CS-W005956 [0,2,0,0,0,0|2,0,0]=4 633 B8R1.72 O=S1(=O)CCCCO1 CS-W018691 [0,2,0,0,0,0|2,0,0]=4 634 B8R1.72 O=S1(=O)CCNCC1 CS-W005419 [0,2,0,0,0,0|2,0,0]=4 635 B8R1.72 O=S1(=O)CCNCC1 CS-W009111 [0,2,0,0,0,0|2,0,0]=4 636 B8R1.72 O=S1(=O)CCOCC1 CS-0128435 [0,2,0,0,0,0|2,0,0]=4 637 B6R1.3 BrCCC1CO1 CS-0158422 [0,0,1,1,0,0|2,0,0]=4 638 B6R1.3 CCNC1CC1 CS-0046972 [0,0,1,1,0,0|1,0,0]=3 639 B6R1.3 CNCC1CC1 CS-0045377 [0,0,1,1,0,0|1,0,0]=3 640 B6R1.3 COC[C@H]1CO1 CS-0165613 [0,0,1,1,0,0|2,0,0]=4 641 B6R1.3 ICCC1CC1 CS-0012702 [0,0,1,1,0,0|1,0,0]=3 642 B6R1.3 N#CCC1CC1 CS-0051913 [0,0,1,1,0,0|1,0,1]=4 643 B6R1.3 NCCC1CC1 CS-W006511 [0,0,1,1,0,0|1,0,0]=3 644 B6R1.3 NOCC1CC1 CS-W019324 [0,0,1,1,0,0|2,0,0]=4 645 B6R1.3 OCCC1CC1 CS-W016679 [0,0,1,1,0,0|1,0,0]=3 646 B6R1.3 OCCN1CC1 CS-W023058 [0,0,1,1,0,0|2,0,0]=4 647 B6R1.3 OCC[C@@H]1CO1 CS-0057154 [0,0,1,1,0,0|2,0,0]=4 648 B6R1.4 C[C@@H]1NC[C@@H]1O CS-0172767 [0,0,1,1,0,0|2,0,0]=4 649 B6R1.4 NC1CCC1F CS-0505919 [0,0,1,1,0,0|2,0,0]=4 650 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [0,0,1,1,0,0|2,0,0]=4 651 B6R1.6 BrCC1CCC1 CS-0015296 [0,0,1,1,0,0|1,0,0]=3 652 B6R1.6 BrCC1COC1 CS-W018850 [0,0,1,1,0,0|2,0,0]=4 653 B6R1.6 CNC1CCC1 CS-0054580 [0,0,1,1,0,0|1,0,0]=3 654 B6R1.6 CNC1CNC1 CS-0043910 [0,0,1,1,0,0|2,0,0]=4 655 B6R1.6 CNC1COC1 CS-0040193 [0,0,1,1,0,0|2,0,0]=4 656 B6R1.6 COC1CNC1 CS-W008894 [0,0,1,1,0,0|2,0,0]=4 657 B6R1.6 CSC1CNC1 CS-0051673 [0,0,1,1,0,0|2,0,0]=4 658 B6R1.6 FCC1CNC1 CS-0085106 [0,0,1,1,0,0|2,0,0]=4 659 B6R1.6 ICC1CCC1 CS-0053096 [0,0,1,1,0,0|1,0,0]=3 660 B6R1.6 ICC1CCO1 CS-0052227 [0,0,1,1,0,0|2,0,0]=4 661 B6R1.6 ICC1COC1 CS-0045504 [0,0,1,1,0,0|2,0,0]=4 662 B6R1.6 N#CC1CCC1 CS-0007644 [0,0,1,1,0,0|1,0,1]=4 663 B6R1.6 NCC1CCC1 CS-W004986 [0,0,1,1,0,0|1,0,0]=3 664 B6R1.6 NCC1CCO1 CS-0048767 [0,0,1,1,0,0|2,0,0]=4 665 B6R1.6 NCC1CNC1 CS-W022574 [0,0,1,1,0,0|2,0,0]=4 666 B6R1.6 NCC1COC1 CS-W008698 [0,0,1,1,0,0|2,0,0]=4 667 B6R1.6 NC[C@@H]1CCO1 CS-0100100 [0,0,1,1,0,0|2,0,0]=4 668 B6R1.6 NNC1CCC1 CS-0054590 [0,0,1,1,0,0|2,0,0]=4 669 B6R1.6 NNC1CCC1 CS-D1710 [0,0,1,1,0,0|2,0,0]=4 670 B6R1.6 OCC1CCC1 CS-W001922 [0,0,1,1,0,0|1,0,0]=3 671 B6R1.6 OCC1CCN1 CS-0049913 [0,0,1,1,0,0|2,0,0]=4 672 B6R1.6 OCC1CCO1 CS-W019194 [0,0,1,1,0,0|2,0,0]=4 673 B6R1.6 OCC1CNC1 CS-D1756 [0,0,1,1,0,0|2,0,0]=4 674 B8R2.25 C1CC2OC2CO1 CS-0051589 [0,0,0,1,0,1|1,0,0]=3 675 B8R2.25 C1COC2CC2N1 CS-0112792 [0,0,0,1,0,1|1,0,0]=3 676 B8R2.11 NC1C2COCC12 CS-W007149 [0,1,0,1,0,0|1,0,0]=3 677 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 CS-0035789 [0,1,0,1,0,0|1,0,0]=3 678 B8R2.18 O=C1CC2CC2C1 CS-0036289 [0,1,0,1,0,0|0,0,1]=3 679 B8R2.18 OC1CC2CC2C1 CS-0035529 [0,1,0,1,0,0|0,0,0]=2 680 B8R2.23 C1NCC2CC1O2 CS-0054897 [0,1,0,1,0,0|1,0,0]=3 681 B8R2.23 C1OCC2CC1N2 CS-0051232 [0,1,0,1,0,0|1,0,0]=3 682 B8R2.34 C1=CC2CCC1C2 CS-W013737 [0,1,0,1,0,0|0,0,2]=4 683 B8R2.34 C1CC2CC1CN2 CS-0067833 [0,1,0,1,0,0|1,0,0]=3 684 B8R2.34 C1CC2CCC1N2 CS-W018698 [0,1,0,1,0,0|0,0,0]=2 685 B8R2.34 C1CN2CCC1C2 CS-0698648 [0,1,0,1,0,0|1,0,0]=3 686 B8R2.34 C1OC2CNC1C2 CS-0044047 [0,1,0,1,0,0|2,0,0]=4 687 B8R2.34 C1O[C@@H]2CN[C@H]1C2 CS-W019161 [0,1,0,1,0,0|2,0,0]=4 688 B8R2.34 C1O[C@H]2CN[C@@H]1C2 CS-0044652 [0,1,0,1,0,0|2,0,0]=4 689 B8R2.34 [C@H]12CN[C@H](CN1)C2 CS-W010152 [0,1,0,1,0,0|2,0,0]=4 690 B4R1.1 C1CNC1 CS-W011344 [0,0,0,0,2,0|1,0,0]=3 691 B8R1.49 C1=CCCC=CCC1 CS-0015978 [0,0,0,0,0,2|0,0,2]=4 692 B8R1.49 C1=CCCC=CCC1 CS-0035163 [0,0,0,0,0,2|0,0,2]=4 693 B8R1.49 C1=CCCC=CCC1 CS-0035186 [0,0,0,0,0,2|0,0,2]=4 694 B8R1.49 C1=CCCC=CCC1 CS-0067245 [0,0,0,0,0,2|0,0,2]=4 695 B8R1.49 C1=CCCC=CCC1 CS-0080872 [0,0,0,0,0,2|0,0,2]=4 696 B8R1.49 C1=CCCC=CCC1 CS-0081894 [0,0,0,0,0,2|0,0,2]=4 697 B8R1.49 C1=CCCC=CCC1 CS-0082577 [0,0,0,0,0,2|0,0,2]=4 698 B8R1.49 C1=CCCC=CCC1 CS-0082686 [0,0,0,0,0,2|0,0,2]=4 699 B8R1.49 C1=CCCC=CCC1 CS-0084597 [0,0,0,0,0,2|0,0,2]=4 700 B8R1.49 C1=CCCC=CCC1 CS-0085783 [0,0,0,0,0,2|0,0,2]=4 701 B8R1.49 C1=CCCC=CCC1 CS-0086015 [0,0,0,0,0,2|0,0,2]=4 702 B8R1.49 C1=CCCC=CCC1 CS-W008473 [0,0,0,0,0,2|0,0,2]=4 703 B8R1.49 C1=CCCC=CCC1 CS-W009199 [0,0,0,0,0,2|0,0,2]=4 704 B8R1.49 C1=CCCC=CCC1 CS-W011531 [0,0,0,0,0,2|0,0,2]=4 705 B8R1.49 C1=CCCC=CCC1 CS-W011586 [0,0,0,0,0,2|0,0,2]=4 706 B8R1.49 C1=CCCC=CCC1 CS-W020862 [0,0,0,0,0,2|0,0,2]=4 707 B8R1.49 C1=CCCCCCC1 CS-0035172 [0,0,0,0,0,2|0,0,0]=2 708 B8R1.49 C1CCCNCCC1 CS-0204387 [0,0,0,0,0,2|0,0,0]=2