0 B4R0.2 BrCCCBr CS-W020641 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.2 NCCCBr CS-W008585 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.2 NCCCCl CS-0015792 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.2 NCCCO CS-W020089 [0,0,0,0,0,0|3,0,0]=3 4 B3R0.1 CCCN CS-0079898 [1,0,0,0,0,0|1,0,0]=2 5 B3R0.1 N#CCI CS-W016050 [1,0,0,0,0,0|2,0,1]=4 6 B3R0.1 N#CCN CS-W013739 [1,0,0,0,0,0|2,0,1]=4 7 B3R0.1 NCCCl CS-W013617 [1,0,0,0,0,0|2,0,0]=3 8 B3R0.1 NCCF CS-W007788 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 CC(=O)CCO CS-0044370 [0,1,0,0,0,0|2,0,1]=4 10 B5R0.1 CC(N)CC#N CS-W020282 [0,1,0,0,0,0|2,0,1]=4 11 B5R0.1 CC(N)CCO CS-W004841 [0,1,0,0,0,0|2,0,0]=3 12 B5R0.1 CCOC(C)=N CS-W008601 [0,1,0,0,0,0|0,1,1]=3 13 B5R0.1 COC[C@@H](C)O CS-0019059 [0,1,0,0,0,0|2,0,0]=3 14 B5R0.2 BrCCCCBr CS-W020631 [0,1,0,0,0,0|2,0,0]=3 15 B5R0.2 C#CCCCCl CS-W009550 [0,1,0,0,0,0|1,0,2]=4 16 B5R0.2 C=CCCCO CS-W011355 [0,1,0,0,0,0|1,0,2]=4 17 B5R0.2 COCCC#N CS-0030563 [0,1,0,0,0,0|2,0,1]=4 18 B5R0.2 ClC\C=C/CCl CS-0005668 [0,1,0,0,0,0|2,0,1]=4 19 B5R0.2 ICCCCI CS-W004871 [0,1,0,0,0,0|2,0,0]=3 20 B5R0.2 N#CCCCCl CS-D1161 [0,1,0,0,0,0|2,0,1]=4 21 B5R0.2 NC\C=C/CCl CS-M0797 [0,1,0,0,0,0|2,0,1]=4 22 B5R0.3 C=C(CCl)CCl CS-W011177 [0,1,0,0,0,0|3,0,0]=4 23 B5R0.3 C=C(CO)CO CS-W009247 [0,1,0,0,0,0|3,0,0]=4 24 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,1,0,0,0,0|2,0,0]=3 25 B5R0.3 CC[C@H](N)CO CS-W013745 [0,1,0,0,0,0|2,0,0]=3 26 B5R0.3 CNC(=O)CBr CS-0023001 [0,1,0,0,0,0|3,0,0]=4 27 B5R0.3 CNC(=O)CCl CS-W007769 [0,1,0,0,0,0|3,0,0]=4 28 B5R0.3 COC(=O)CN CS-W018508 [0,1,0,0,0,0|3,0,0]=4 29 B5R0.3 NC(CO)CO CS-W007357 [0,1,0,0,0,0|3,0,0]=4 30 B5R1.1 C1CSCN1 CS-0006687 [0,0,0,1,0,0|1,0,0]=2 31 B5R1.2 CC1CNC1 CS-W019342 [0,0,0,1,0,0|2,0,0]=3 32 B5R1.3 ClC[C@@H]1CO1 CS-0015935 [0,0,0,1,0,0|3,0,0]=4 33 B5R1.3 N#CC1CC1 CS-D1406 [0,0,0,1,0,0|2,0,1]=4 34 B2R0.1 CON CS-W020192 [2,0,0,0,0,0|1,1,0]=4 35 B4R0.1 CC(N)CO CS-W018531 [1,1,0,0,0,0|1,0,0]=3 36 B4R0.1 CC(O)CBr CS-0063182 [1,1,0,0,0,0|1,0,0]=3 37 B4R0.1 CCC(=N)O CS-W016688 [1,1,0,0,0,0|1,0,1]=4 38 B4R0.1 CC[C@H](C)N CS-0084847 [1,1,0,0,0,0|0,0,0]=2 39 B4R0.1 CSC(=N)N CS-0011749 [1,1,0,0,0,0|1,0,1]=4 40 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,2,0,0,0,0|1,0,0]=3 41 B6R0.1 CCOC(=O)CN CS-W020007 [0,2,0,0,0,0|0,1,1]=4 42 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,2,0,0,0,0|0,1,1]=4 43 B6R0.1 COC(=O)CCS CS-0000049 [0,2,0,0,0,0|2,0,0]=4 44 B6R0.1 COC(C)CCO CS-W013686 [0,2,0,0,0,0|2,0,0]=4 45 B6R0.3 COC(=O)[C@@H](C)O CS-W016638 [0,2,0,0,0,0|2,0,0]=4 46 B6R0.3 COC(=O)[C@H](C)O CS-WAA0219 [0,2,0,0,0,0|2,0,0]=4 47 B6R0.4 CC(=O)CCCCl CS-W013569 [0,2,0,0,0,0|1,0,1]=4 48 B6R0.4 CC(=O)OCCBr CS-W007598 [0,2,0,0,0,0|0,1,1]=4 49 B6R0.4 CC(C)OCCBr CS-W018660 [0,2,0,0,0,0|0,1,0]=3 50 B6R0.4 CN(C)CCCCl CS-W019575 [0,2,0,0,0,0|2,0,0]=4 51 B6R0.4 CNCCC(C)C CS-0039334 [0,2,0,0,0,0|1,0,0]=3 52 B6R0.6 C#CCCCCO CS-W016659 [0,2,0,0,0,0|1,0,1]=4 53 B6R0.6 C=CCCCCBr CS-W008939 [0,2,0,0,0,0|1,0,1]=4 54 B6R0.6 ClCCCCCBr CS-W016940 [0,2,0,0,0,0|1,0,0]=3 55 B6R0.6 ClCCNCCCl CS-W020124 [0,2,0,0,0,0|1,0,0]=3 56 B6R0.6 FCCCCCBr CS-W005161 [0,2,0,0,0,0|1,0,0]=3 57 B6R0.6 ICCCCCI CS-0041009 [0,2,0,0,0,0|1,0,0]=3 58 B6R0.6 NCCNCCO CS-W011299 [0,2,0,0,0,0|1,0,0]=3 59 B6R0.6 OCCOCCCl CS-0016058 [0,2,0,0,0,0|0,1,0]=3 60 B6R0.9 CCN(C=O)CC CS-W009551 [0,2,0,0,0,0|1,0,0]=3 61 B6R1.2 BrC1CCNC1 CS-W005728 [0,1,0,1,0,0|1,0,0]=3 62 B6R1.2 CC1CCNC1 CS-W021968 [0,1,0,1,0,0|1,0,0]=3 63 B6R1.2 NC1=NCCC1 CS-B0123 [0,1,0,1,0,0|1,0,1]=4 64 B6R1.2 NC1CCOC1 CS-D1564 [0,1,0,1,0,0|0,1,0]=3 65 B6R1.2 O=C1CCSC1 CS-W011310 [0,1,0,1,0,0|0,0,1]=3 66 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,1,0,1,0,0|1,0,0]=3 67 B6R1.3 NCCC1CC1 CS-W006511 [0,1,0,1,0,0|1,0,0]=3 68 B6R1.3 NOCC1CC1 CS-W019324 [0,1,0,1,0,0|2,0,0]=4 69 B6R1.3 OCCC1CC1 CS-W016679 [0,1,0,1,0,0|1,0,0]=3 70 B6R1.5 N[C@H]1C[C@H](O)C1 CS-W023030 [0,1,0,1,0,0|2,0,0]=4 71 B6R1.10 CC1(N)COC1 CS-W008280 [0,1,0,1,0,0|2,0,0]=4 72 B6R1.10 CC1(O)CNC1 CS-0007720 [0,1,0,1,0,0|2,0,0]=4 73 B6R1.1 C1CCNNC1 CS-0038680 [0,1,0,1,0,0|1,0,0]=3 74 B6R1.1 C1CSCCN1 CS-W007359 [0,1,0,1,0,0|0,0,0]=2 75 B6R1.6 BrCC1CCC1 CS-0015296 [0,1,0,1,0,0|1,0,0]=3 76 B6R1.6 BrCC1COC1 CS-W018850 [0,1,0,1,0,0|2,0,0]=4 77 B6R1.6 CNC1CNC1 CS-0043910 [0,1,0,1,0,0|2,0,0]=4 78 B6R1.6 CNC1COC1 CS-0040193 [0,1,0,1,0,0|2,0,0]=4 79 B6R1.6 OCC1CNC1 CS-D1756 [0,1,0,1,0,0|2,0,0]=4