0 B4R0.2 C#CCCN CS-0059198 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 CC#CCO CS-B1382 [0,0,0,0,0,0|1,1,2]=4 2 B4R0.2 CNCC#N CS-W002073 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 CNCCBr CS-0042068 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 CSCCN CS-0063136 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 N#CCCN CS-D1507 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.2 NCCON CS-M2746 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.2 NNCCO CS-W007663 [0,0,0,0,0,0|4,0,0]=4 8 B4R0.2 NOCCO CS-W011361 [0,0,0,0,0,0|4,0,0]=4 9 B4R0.2 OCCCBr CS-W007337 [0,0,0,0,0,0|2,1,1]=4 10 B4R0.2 OCCCO CS-W018490 [0,0,0,0,0,0|2,1,1]=4 11 B3R0.1 CCON CS-0017502 [1,0,0,0,0,0|2,0,0]=3 12 B3R0.1 CNOC CS-D1361 [1,0,0,0,0,0|1,0,2]=4 13 B3R0.1 NCCBr CS-W008659 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CCCB(O)O CS-W007470 [0,1,0,0,0,0|2,1,0]=4 15 B5R0.1 CCOC(=N)N CS-W019160 [0,1,0,0,0,0|2,0,1]=4 16 B5R0.1 CCOC(=S)[S-] CS-W020193 [0,1,0,0,0,0|1,0,1]=3 17 B5R0.1 COC[C@H](C)O CS-0031378 [0,1,0,0,0,0|3,0,0]=4 18 B5R0.1 C[C@@H](N)CCO CS-W013746 [0,1,0,0,0,0|1,1,1]=4 19 B5R0.2 C#CCCCO CS-W011358 [0,1,0,0,0,0|2,0,1]=4 20 B5R0.2 C=CCCCBr CS-W018483 [0,1,0,0,0,0|2,0,1]=4 21 B5R0.2 CNCCNC CS-0020009 [0,1,0,0,0,0|3,0,0]=4 22 B5R0.2 COCCCBr CS-W010945 [0,1,0,0,0,0|2,0,1]=4 23 B5R0.2 COCCCO CS-W020636 [0,1,0,0,0,0|1,1,1]=4 24 B5R0.2 ClCCCCI CS-W019348 [0,1,0,0,0,0|2,0,1]=4 25 B5R0.2 NCCCCBr CS-W005399 [0,1,0,0,0,0|2,0,1]=4 26 B5R0.2 NCCCCF CS-0098954 [0,1,0,0,0,0|2,0,1]=4 27 B5R0.3 CCC(=N)NO CS-D0340 [0,1,0,0,0,0|2,1,0]=4 28 B5R0.3 CCC(Br)CC CS-0015742 [0,1,0,0,0,0|2,0,1]=4 29 B5R0.3 CC[C@H](O)CO CS-0031373 [0,1,0,0,0,0|1,1,1]=4 30 B5R1.1 C1CSCN1 CS-M1684 [0,0,0,1,0,0|0,0,3]=4 31 B5R1.2 NC1CCC1 CS-0006655 [0,0,0,1,0,0|2,0,1]=4 32 B5R1.2 OC1CCC1 CS-W013758 [0,0,0,1,0,0|1,1,1]=4 33 B5R1.3 BrCC1CC1 CS-W020194 [0,0,0,1,0,0|2,0,1]=4 34 B5R1.3 CNC1CC1 CS-W019814 [0,0,0,1,0,0|3,0,0]=4 35 B2R0.1 CNO CS-W007348 [2,0,0,0,0,0|0,1,1]=4 36 B2R0.1 CSC CS-0015151 [2,0,0,0,0,0|1,0,1]=4 37 B2R0.1 N=CN CS-W007673 [2,0,0,0,0,0|1,0,1]=4 38 B4R0.1 C#C[C@@H](C)O CS-0094046 [1,1,0,0,0,0|1,0,1]=4 39 B4R0.1 CC(C)ON CS-W008733 [1,1,0,0,0,0|2,0,0]=4 40 B4R0.1 CC(N)CF CS-0107816 [1,1,0,0,0,0|1,0,1]=4 41 B4R0.1 CCC(=N)N CS-W019290 [1,1,0,0,0,0|1,0,1]=4 42 B4R0.1 CCS(=O)[O-] CS-0020098 [1,1,0,0,0,0|1,1,0]=4 43 B4R0.1 C[C@@H](O)CO CS-W020032 [1,1,0,0,0,0|0,1,1]=4 44 B4R0.1 C[C@H](N)CO CS-B1303 [1,1,0,0,0,0|0,1,1]=4 45 B4R0.1 C[C@H](O)CN CS-W019029 [1,1,0,0,0,0|1,0,1]=4 46 B4R0.1 C[C@H](O)CO CS-0011520 [1,1,0,0,0,0|0,1,1]=4 47 B4R0.1 [C@@H](C)(N)CN CS-W008537 [1,1,0,0,0,0|1,0,1]=4 48 B4R0.1 [C@H](C)(O)CCl CS-W005784 [1,1,0,0,0,0|1,0,1]=4 49 B4R1.1 C1CNC1 CS-W011344 [1,0,0,1,0,0|0,0,2]=4