0 B6R0.6 C#CCCCCO CS-W016659 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C=CCCCCBr CS-W008939 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 ClCCCCCBr CS-W016940 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.6 ClCCNCCCl CS-W020124 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.6 FCCCCCBr CS-W005161 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.6 ICCCCCI CS-0041009 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.6 NCCNCCO CS-W011299 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.6 OCCOCCCl CS-0016058 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.2 BrCCCCBr CS-W020631 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.2 C#CCCCCl CS-W009550 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.2 C=CCCCO CS-W011355 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.2 ICCCCI CS-W004871 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.2 N#CCCCCl CS-D1161 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.2 NC\C=C/CCl CS-M0797 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.2 NOCCON CS-0070013 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.1 C#CCCCCCO CS-W007441 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.1 ClCCCCCCI CS-0059200 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.1 NCCCCCCN CS-W015964 [0,1,0,0,0,0|1,0,0]=2 18 B7R0.1 OCCCCCCCl CS-B1599 [0,1,0,0,0,0|3,0,0]=4 19 B7R0.4 CC(O)CNCCO CS-M0804 [0,1,0,0,0,0|2,0,0]=3 20 B7R1.1 NCC1CCCN1 CS-0019253 [0,0,0,1,0,0|1,0,0]=2 21 B7R1.1 NCC1CCOC1 CS-W004787 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.3 BrC1CCCCC1 CS-W017925 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,0,0,1,0,0|1,0,0]=2 25 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,0,0,1,0,0|1,0,0]=2 27 B7R1.3 O=C1CCCCN1 CS-W022933 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.3 OC1CCCNC1 CS-D1393 [0,0,0,1,0,0|2,0,0]=3 29 B7R1.3 OC1CCCOC1 CS-D1560 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,0,0,1,0,0|1,0,0]=2 31 B4R0.2 BrCCCBr CS-W020641 [2,0,0,0,0,0|2,0,0]=4 32 B4R0.2 NCCCBr CS-W008585 [2,0,0,0,0,0|1,0,0]=3 33 B4R0.2 NCCCCl CS-0015792 [2,0,0,0,0,0|1,0,0]=3 34 B4R0.2 NCCCO CS-W020089 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.1 CCC[C@H](N)CO CS-M2256 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.1 CCOC(=O)CN CS-W020007 [1,1,0,0,0,0|1,0,1]=4 37 B6R0.4 CC(C)OCCBr CS-W018660 [1,1,0,0,0,0|2,0,0]=4 38 B8R0.4 COCCNCCOC CS-D1692 [0,2,0,0,0,0|2,0,0]=4 39 B8R0.7 CN(C)CCOCCO CS-W011078 [0,2,0,0,0,0|2,0,0]=4 40 B6R1.1 C1CCNNC1 CS-0038680 [1,0,0,1,0,0|0,0,0]=2 41 B6R1.1 C1CSCCN1 CS-W007359 [1,0,0,1,0,0|1,0,0]=3 42 B6R1.2 BrC1CCNC1 CS-W005728 [1,0,0,1,0,0|1,0,0]=3 43 B6R1.2 CC1CCNC1 CS-W021968 [1,0,0,1,0,0|1,0,0]=3 44 B6R1.2 NC1=NCCC1 CS-B0123 [1,0,0,1,0,0|0,0,2]=4 45 B6R1.2 NC1CCOC1 CS-D1564 [1,0,0,1,0,0|1,0,0]=3 46 B6R1.2 O=C1NCCN1 CS-0075560 [1,0,0,1,0,0|1,0,1]=4 47 B6R1.2 O[C@H]1CCNC1 CS-W008801 [1,0,0,1,0,0|1,0,0]=3 48 B6R1.3 NCCC1CC1 CS-W006511 [1,0,0,1,0,0|1,0,0]=3 49 B6R1.3 NOCC1CC1 CS-W019324 [1,0,0,1,0,0|2,0,0]=4 50 B6R1.3 OCCC1CC1 CS-W016679 [1,0,0,1,0,0|2,0,0]=4 51 B6R1.6 BrCC1CCC1 CS-0015296 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.2 NCC1CNCCO1 CS-0046184 [0,1,0,1,0,0|1,0,0]=3 53 B8R1.2 NOC1CCCCO1 CS-W007325 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.2 OCC1CNCCO1 CS-W022892 [0,1,0,1,0,0|2,0,0]=4 55 B8R1.2 [C@H]1(CO)COCCN1 CS-W006711 [0,1,0,1,0,0|2,0,0]=4 56 B8R1.5 CC1CNCCN1C CS-W005051 [0,1,0,1,0,0|1,0,0]=3 57 B8R1.5 NC1CCCNC1=O CS-D0182 [0,1,0,1,0,0|1,0,1]=4 58 B8R1.5 N[C@@H]1CCCC[C@H]1N CS-0019667 [0,1,0,1,0,0|1,0,0]=3 59 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-W019691 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.5 O=C1CCNCC1F CS-0044438 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.5 [C@@H]1(N)CCCC[C@H]1O CS-W005443 [0,1,0,1,0,0|2,0,0]=4 62 B8R1.8 COC[C@H]1CCCN1 CS-W002305 [0,1,0,1,0,0|2,0,0]=4 63 B8R1.8 NCCN1CCCC1 CS-D1372 [0,1,0,1,0,0|1,0,0]=3 64 B8R1.22 CC1CCNCCN1 CS-W022406 [0,1,0,1,0,0|1,0,0]=3 65 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 CS-0043961 [0,1,0,1,0,0|2,0,0]=4 66 B8R1.3 C[C@H]1CN[C@H](C)CN1 CS-B1271 [0,1,0,1,0,0|1,0,0]=3 67 B8R1.3 N[C@H]1CC[C@@H](O)CC1 CS-W019682 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.3 N[C@H]1CC[C@H](O)CC1 CS-W023031 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.4 CC1CCCC(N)C1 CS-D0430 [0,1,0,1,0,0|2,0,0]=4 70 B8R1.4 [C@H]1(C)CNC[C@@H](C)N1 CS-W013630 [0,1,0,1,0,0|1,0,0]=3 71 B8R1.7 NC(=O)C1CCCN1 CS-W005850 [0,1,0,1,0,0|1,0,1]=4 72 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-W018129 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.72 CC1(C)COCCN1 CS-0094495 [0,1,0,1,0,0|2,0,0]=4 74 B8R2.34 C1O[C@@H]2CN[C@H]1C2 CS-W019161 [0,0,0,2,0,0|2,0,0]=4