0 B5R0.2 BrCCCCBr CS-W020631 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.2 ClC\C=C/CCl CS-0005668 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.2 ICCCCI CS-W004871 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.2 NC\C=C/CCl CS-M0797 [0,0,0,0,0,0|4,0,0]=4 4 B4R0.2 BrCCCBr CS-W020641 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.2 NCCCBr CS-W008585 [1,0,0,0,0,0|3,0,0]=4 6 B4R0.2 NCCCCl CS-0015792 [1,0,0,0,0,0|3,0,0]=4 7 B4R0.2 NCCCO CS-W020089 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,1,0,0,0,0|3,0,0]=4 9 B6R0.1 CCOC(=O)CN CS-W020007 [0,1,0,0,0,0|2,1,0]=4 10 B6R0.4 CC(C)OCCBr CS-W018660 [0,1,0,0,0,0|2,1,0]=4 11 B6R0.4 CNCCC(C)C CS-0039334 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.6 ClCCCCCBr CS-W016940 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.6 ClCCNCCCl CS-W020124 [0,1,0,0,0,0|3,0,0]=4 14 B6R0.6 FCCCCCBr CS-W005161 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.6 ICCCCCI CS-0041009 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.6 NCCNCCO CS-W011299 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.6 OCCOCCCl CS-0016058 [0,1,0,0,0,0|2,1,0]=4 18 B6R1.1 C1CCNNC1 CS-0038680 [0,0,0,1,0,0|2,0,0]=3 19 B6R1.1 C1CSCCN1 CS-W007359 [0,0,0,1,0,0|2,0,0]=3 20 B6R1.2 BrC1CCNC1 CS-W005728 [0,0,0,1,0,0|3,0,0]=4 21 B6R1.2 CC1CCNC1 CS-W021968 [0,0,0,1,0,0|2,0,0]=3 22 B6R1.2 NC1CCOC1 CS-D1564 [0,0,0,1,0,0|2,1,0]=4 23 B6R1.2 O=C1CCSC1 CS-W011310 [0,0,0,1,0,0|2,0,1]=4 24 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,0,0,1,0,0|3,0,0]=4 25 B6R1.3 NCCC1CC1 CS-W006511 [0,0,0,1,0,0|3,0,0]=4 26 B6R1.3 OCCC1CC1 CS-W016679 [0,0,0,1,0,0|3,0,0]=4 27 B6R1.6 BrCC1CCC1 CS-0015296 [0,0,0,1,0,0|3,0,0]=4 28 B3R0.1 CCCN CS-0079898 [2,0,0,0,0,0|1,0,0]=3 29 B3R0.1 NCCCl CS-W013617 [2,0,0,0,0,0|2,0,0]=4 30 B3R0.1 NCCF CS-W007788 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.1 CC(N)CCO CS-W004841 [1,1,0,0,0,0|2,0,0]=4 32 B5R0.1 CCOC(C)=N CS-W008601 [1,1,0,0,0,0|0,1,1]=4 33 B5R0.1 COC[C@@H](C)O CS-0019059 [1,1,0,0,0,0|1,1,0]=4 34 B5R0.3 CC[C@@H](N)CO CS-W020734 [1,1,0,0,0,0|2,0,0]=4 35 B5R0.3 CC[C@H](N)CO CS-W013745 [1,1,0,0,0,0|2,0,0]=4 36 B7R0.5 CCOC(=O)C(C)Br CS-0009888 [0,2,0,0,0,0|1,1,0]=4 37 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [0,2,0,0,0,0|1,1,0]=4 38 B7R0.4 CC(O)CNCCO CS-M0804 [0,2,0,0,0,0|2,0,0]=4 39 B7R0.1 ClCCCCCCI CS-0059200 [0,2,0,0,0,0|2,0,0]=4 40 B7R0.1 NCCCCCCN CS-W015964 [0,2,0,0,0,0|2,0,0]=4 41 B7R0.1 OCCCCCCCl CS-B1599 [0,2,0,0,0,0|2,0,0]=4 42 B5R1.1 C1CSCN1 CS-0006687 [1,0,0,1,0,0|1,0,0]=3 43 B5R1.2 CC1CNC1 CS-W019342 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.1 COC1CCNC1 CS-W004880 [0,1,0,1,0,0|2,0,0]=4 45 B7R1.1 NCC1CCCN1 CS-0019253 [0,1,0,1,0,0|2,0,0]=4 46 B7R1.1 NCC1CCOC1 CS-W004787 [0,1,0,1,0,0|1,1,0]=4 47 B7R1.1 OCC1CCOC1 CS-D1159 [0,1,0,1,0,0|1,1,0]=4 48 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,1,0,1,0,0|1,1,0]=4 49 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,1,0,1,0,0|2,0,0]=4 50 B7R1.3 BrC1CCCCC1 CS-W017925 [0,1,0,1,0,0|2,0,0]=4 51 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,1,0,1,0,0|2,0,0]=4 52 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,1,0,1,0,0|1,1,0]=4 53 B7R1.3 ClC1CCNCC1 CS-W006160 [0,1,0,1,0,0|2,0,0]=4 54 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,1,0,1,0,0|2,0,0]=4 55 B7R1.3 O=C1CCCCN1 CS-W022933 [0,1,0,1,0,0|2,0,0]=4 56 B7R1.3 OC1CCCNC1 CS-D1393 [0,1,0,1,0,0|2,0,0]=4 57 B7R1.3 OC1CCCOC1 CS-D1560 [0,1,0,1,0,0|1,1,0]=4 58 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,1,0,1,0,0|2,0,0]=4 59 B7R1.14 CC1(C)CCCN1 CS-W021476 [0,1,0,1,0,0|2,0,0]=4