0 B10R1.21 CCCCCC1=CC=CS1 M10066871P [0,0,0,0,0,0|0,1,0]=1 1 B10R1.21 CCCCCN1C=CN=C1 M10162404P [0,0,0,0,0,0|3,0,0]=3 2 B9R1.12 CCCCC1=CC=CS1 M10031024P [1,0,0,0,0,0|0,1,0]=2 3 B9R1.12 CCCCC1C=CC=C1 M10596335P [1,0,0,0,0,0|1,0,1]=3 4 B9R1.12 CSSCC1=CC=CO1 M10295500P [1,0,0,0,0,0|2,0,0]=3 5 B9R1.12 O=CSCC1=CC=CO1 M10304820P [1,0,0,0,0,0|2,0,1]=4 6 B11R1.4 CCCCCCC1=CC=CS1 M10157353P [0,1,0,0,0,0|0,1,0]=2 7 B11R1.4 CCCCCCN1C=CN=C1 M10220695P [0,1,0,0,0,0|3,0,0]=4 8 B11R1.29 O[C@H](C1=CC=CS1)CCNC M10701974P [0,1,0,0,0,0|1,1,0]=3 9 B11R1.172 O=C(N)CSCC1=CC=CO1 M10506067P [0,1,0,0,0,0|2,0,1]=4 10 B9R0.45 CCCCCC\C=C\C=O M10157563P [0,0,1,0,0,0|0,0,2]=3 11 B9R0.45 CCCC\C=C\C=C\C=O M10081789P [0,0,1,0,0,0|0,0,2]=3 12 B11R2.106 O=C1C2=C(NC=C2)CCC1 M10126273P [0,0,0,1,0,0|2,0,1]=4 13 B11R2.106 O=C1CCCC2=C1C=CS2 M10123467P [0,0,0,1,0,0|1,1,1]=4 14 B11R1.28 CCCCNC1=CC=CC=C1 M10027499P [0,0,0,0,0,1|2,0,0]=3 15 B11R1.28 ClCCCCC1=CC=NC=C1 M10070101P [0,0,0,0,0,1|2,0,0]=3 16 B11R1.28 ClCCCCC1=CC=NC=C1 M10774068P [0,0,0,0,0,1|2,0,0]=3 17 B11R1.28 ClCCOCC1=CC=CC=C1 M10148097P [0,0,0,0,0,1|3,0,0]=4 18 B11R1.28 NCCNCC1=CC=CC=C1 M10060507P [0,0,0,0,0,1|3,0,0]=4 19 B11R1.28 OCCCCC1=CC=NC=C1 M10070100P [0,0,0,0,0,1|2,0,0]=3 20 B11R1.28 OCCCOC1=CC=CC=C1 M10084703P [0,0,0,0,0,1|3,0,0]=4 21 B11R1.28 OCCOCC1=CC=CC=C1 M10016555P [0,0,0,0,0,1|3,0,0]=4 22 B8R0.4 CCCCC\C=C\C=O M10045247P [1,0,1,0,0,0|0,0,1]=3 23 B8R1.8 BrCCC1=CC=CS1 M10194071P [2,0,0,0,0,0|1,1,0]=4 24 B8R1.8 CCCN1N=CC=C1 M10217397P [2,0,0,0,0,0|2,0,0]=4 25 B10R0.74 C=CC(OCCCCCC)=O M10044707P [0,1,1,0,0,0|0,0,1]=3 26 B10R1.11 O=C(C1=CC=CO1)OCC M10030401P [1,1,0,0,0,0|1,0,1]=4 27 B10R1.16 O=CCCC1=CC=C(C)O1 M10224878P [1,1,0,0,0,0|1,0,1]=4 28 B10R1.27 CC(NC)CC1=CC=CS1 M10106016P [1,1,0,0,0,0|1,1,0]=4 29 B12R1.8 NCCCNCC1=CC=CC=C1 M10127387P [0,1,0,0,0,1|2,0,0]=4 30 B12R1.7 CCCCCCC1=CC=C(Br)S1 M10834790P [0,2,0,0,0,0|0,1,0]=3 31 B12R1.51 CCCC(OCC1=CC=CO1)=O M10016631P [0,2,0,0,0,0|0,0,1]=3 32 B10R1.19 O=C1N(C=C)CCCCC1 M10041605P [0,0,1,1,0,0|1,0,1]=4 33 B10R2.7 C=12C=CSC1CCNC2 M10279367P [1,0,0,1,0,0|1,1,0]=4 34 B12R2.2 C1(C2CNCC2)=NC=CC=C1 M10775501P [0,0,0,1,0,1|2,0,0]=4 35 B12R2.2 C1(C2NCCC2)=CC=CN=C1 M10079958P [0,0,0,1,0,1|2,0,0]=4 36 B12R2.41 C12=CC=CC=C1CCCCN2 M10035007P [0,0,0,1,0,1|2,0,0]=4 37 B12R2.41 C12=CC=CC=C1CCCNC2 M10102516P [0,0,0,1,0,1|2,0,0]=4 38 B12R2.41 C12=CC=CC=C1CCCNC2 M10151219P [0,0,0,1,0,1|2,0,0]=4 39 B12R2.41 C12=CC=CC=C1CCNCC2 M10063070P [0,0,0,1,0,1|2,0,0]=4 40 B12R2.1081 CC1CCNC2=C1C=CC=C2 M10160403P [0,0,0,1,0,1|2,0,0]=4 41 B12R2.1081 CC1NCCC2=C1C=CC=C2 M10678709P [0,0,0,1,0,1|2,0,0]=4 42 B12R2.1081 CC1NCCC2=C1C=CC=C2 M11192517P [0,0,0,1,0,1|2,0,0]=4 43 B12R2.1081 CN1CCCC2=C1C=CC=C2 M11192453P [0,0,0,1,0,1|2,0,0]=4 44 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M12277889P [0,0,0,1,0,1|2,0,0]=4 45 B12R2.1081 C[C@H]1NCCC2=C1C=CC=C2 M12277888P [0,0,0,1,0,1|2,0,0]=4 46 B12R2.1081 ClC1CCCC2=C1C=CC=C2 M10686877P [0,0,0,1,0,1|2,0,0]=4 47 B12R2.1081 NC1CCCC2=C1N=CC=C2 M10853440P [0,0,0,1,0,1|2,0,0]=4 48 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 M10867713P [0,0,0,1,0,1|2,0,0]=4 49 B12R2.1081 N[C@H]1CCCC2=C1N=CC=C2 M10867714P [0,0,0,1,0,1|2,0,0]=4 50 B12R2.1081 OC1CCCC2=C1C=CC=C2 M11193696P [0,0,0,1,0,1|2,0,0]=4