0 B9R1.12 CCCCC1=CC=CS1 M10031024P [0,0,0,0,0,0|0,1,0]=1 1 B9R1.12 CCCCC1C=CC=C1 M10596335P [0,0,0,0,0,0|1,0,1]=2 2 B9R1.12 CNCCN1N=CN=C1 M10868272P [0,0,0,0,0,0|4,0,0]=4 3 B9R1.12 CSSCC1=CC=CO1 M10295500P [0,0,0,0,0,0|2,0,0]=2 4 B9R1.12 ClCCCN1C=CN=C1 M10272299P [0,0,0,0,0,0|4,0,0]=4 5 B9R1.12 O=CSCC1=CC=CO1 M10304820P [0,0,0,0,0,0|2,0,1]=3 6 B8R1.8 BrCCC1=CC=CS1 M10194071P [1,0,0,0,0,0|1,1,0]=3 7 B8R1.8 CCCN1N=CC=C1 M10217397P [1,0,0,0,0,0|2,0,0]=3 8 B8R1.8 CCOC1=NC=CS1 M10138070P [1,0,0,0,0,0|2,1,0]=4 9 B8R1.8 NCCC1=CNC=N1 M10000170P [1,0,0,0,0,0|3,0,0]=4 10 B8R1.8 NCCC1=CSC=C1 M10306606P [1,0,0,0,0,0|3,0,0]=4 11 B8R1.8 NCCC1=NC=CN1 M10159749P [1,0,0,0,0,0|3,0,0]=4 12 B10R1.11 O=C(C1=CC=CO1)OCC M10030401P [0,1,0,0,0,0|1,0,1]=3 13 B10R1.11 O=C(C1=CC=CS1)CCCl M10243198P [0,1,0,0,0,0|1,1,1]=4 14 B10R1.11 O=C(C1=CN=CO1)OCC M10707454P [0,1,0,0,0,0|2,0,1]=4 15 B10R1.11 O=C(C1=NC=CO1)OCC M10219050P [0,1,0,0,0,0|2,0,1]=4 16 B10R1.16 C[N+]1=CN(CCCC)C=C1 M10807398P [0,1,0,0,0,0|3,0,0]=4 17 B10R1.16 O=CCCC1=CC=C(C)O1 M10224878P [0,1,0,0,0,0|1,0,1]=3 18 B10R1.21 CCCCCC1=CC=CS1 M10066871P [0,1,0,0,0,0|0,1,0]=2 19 B10R1.21 CCCCCN1C=CN=C1 M10162404P [0,1,0,0,0,0|3,0,0]=4 20 B10R1.27 CC(NC)CC1=CC=CS1 M10106016P [0,1,0,0,0,0|1,1,0]=3 21 B10R1.66 O=C(O)CCC1=CC=CN1 M10875523P [0,1,0,0,0,0|2,0,1]=4 22 B8R0.4 CCCCC\C=C\C=O M10045247P [0,0,1,0,0,0|0,0,2]=3 23 B10R2.7 C12=CN=CN1CCNC2 M10899370P [0,0,0,1,0,0|3,0,0]=4 24 B10R2.7 C=12C=CSC1CCNC2 M10279367P [0,0,0,1,0,0|1,1,0]=3 25 B10R2.7 C=12NC=NC1CCNC2 M10016963P [0,0,0,1,0,0|3,0,0]=4 26 B10R2.7 C=12NC=NC1CCNC2 M10353812P [0,0,0,1,0,0|3,0,0]=4 27 B10R2.32 O=C1CCC2=C1C=CS2 M10078627P [0,0,0,1,0,0|1,1,1]=4 28 B10R1.17 C=CCCC1=CC=CC=C1 M10020323P [0,0,0,0,0,1|1,0,2]=4 29 B10R1.17 CCNCC1=CC=NC=C1 M10220282P [0,0,0,0,0,1|2,0,0]=3 30 B10R1.17 CNCCC1=CC=CC=C1 M10060073P [0,0,0,0,0,1|2,0,0]=3 31 B10R1.17 CNCCC1=NC=CC=C1 M10024739P [0,0,0,0,0,1|2,0,0]=3 32 B10R1.17 NCCCC1=CN=CN=C1 M12277480P [0,0,0,0,0,1|3,0,0]=4 33 B10R1.17 NCCNC1=CC=CC=C1 M10034407P [0,0,0,0,0,1|3,0,0]=4 34 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 M10309731P [0,0,0,0,0,1|2,0,1]=4 35 B7R0.1 OCCCCOC=C M10151868P [1,0,1,0,0,0|1,0,1]=4 36 B7R0.3 C=CC(NCCC)=O M10192147P [1,0,1,0,0,0|1,0,1]=4 37 B7R0.3 C=CC(O)CCCC M10067454P [1,0,1,0,0,0|0,0,1]=3 38 B7R1.1 BrCC1=CC=CO1 M10063276P [2,0,0,0,0,0|1,0,0]=3 39 B7R1.1 CCC1=NC=CS1 M10138064P [2,0,0,0,0,0|1,1,0]=4 40 B7R1.1 CCN1N=CC=C1 M10047966P [2,0,0,0,0,0|2,0,0]=4 41 B7R1.1 ClCC1=CC=CS1 M10020165P [2,0,0,0,0,0|1,1,0]=4 42 B7R1.1 ClCC1=NC=CO1 M10813721P [2,0,0,0,0,0|2,0,0]=4 43 B7R1.1 N#CC1=CC=CO1 M10016313P [2,0,0,0,0,0|1,0,1]=4 44 B7R1.1 NCC1=CC=CN1 M10405721P [2,0,0,0,0,0|2,0,0]=4 45 B7R1.1 NCC1=CN=CO1 M10111263P [2,0,0,0,0,0|2,0,0]=4 46 B7R1.1 NCC1=NC=CO1 M11020248P [2,0,0,0,0,0|2,0,0]=4 47 B7R1.1 OCC1=NC=CO1 M10731569P [2,0,0,0,0,0|2,0,0]=4 48 B7R1.1 SCC1=CC=CS1 M10085524P [2,0,0,0,0,0|1,1,0]=4 49 B9R0.45 CCCCCC\C=C\C=O M10157563P [0,1,1,0,0,0|0,0,2]=4 50 B9R0.45 CCCC\C=C\C=C\C=O M10081789P [0,1,1,0,0,0|0,0,1]=3 51 B9R0.46 C=CC(OCCOCC)=O M10003373P [0,1,1,0,0,0|1,0,1]=4 52 B9R1.11 O=C(C1=CC=CO1)SC M10125734P [1,1,0,0,0,0|1,0,1]=4 53 B9R1.13 CC(N)CC1=CC=CO1 M10295935P [1,1,0,0,0,0|0,0,0]=2 54 B11R1.1 CCCNC1=NN=C(Cl)C=C1 M10088193P [0,1,0,0,0,1|2,0,0]=4 55 B11R1.1 CCCOC1=CC=C(Br)C=C1 M10241209P [0,1,0,0,0,1|2,0,0]=4 56 B11R1.1 CCNCC1=CC=C(Cl)N=C1 M10711490P [0,1,0,0,0,1|2,0,0]=4 57 B11R1.1 OC1=CC=C(CCNC)C=C1 M10120289P [0,1,0,0,0,1|2,0,0]=4 58 B11R1.1 OC1=CC=C(OCCC)C=C1 M10158296P [0,1,0,0,0,1|2,0,0]=4 59 B11R1.1 OCCCC1=CC=C(Cl)C=C1 M10086861P [0,1,0,0,0,1|2,0,0]=4 60 B11R1.1 OCCCC1=CC=C(O)C=C1 M10113021P [0,1,0,0,0,1|2,0,0]=4 61 B11R1.16 CC(C1=CC=CC=C1)CNC M12025375P [0,1,0,0,0,1|2,0,0]=4 62 B11R1.16 OC(C1=CC=CC=C1)CCCl M10157240P [0,1,0,0,0,1|2,0,0]=4 63 B11R1.16 OCCC(N)C1=CC=CC=C1 M10132113P [0,1,0,0,0,1|2,0,0]=4 64 B11R1.17 OC1=CC=CC=C1OCCC M10086738P [0,1,0,0,0,1|2,0,0]=4 65 B11R1.17 OCCCC1=CC=CC=C1Br M10264247P [0,1,0,0,0,1|2,0,0]=4 66 B11R1.28 CCCCNC1=CC=CC=C1 M10027499P [0,1,0,0,0,1|1,0,0]=3 67 B11R1.28 ClCCCCC1=CC=NC=C1 M10070101P [0,1,0,0,0,1|1,0,0]=3 68 B11R1.28 ClCCCCC1=CC=NC=C1 M10774068P [0,1,0,0,0,1|1,0,0]=3 69 B11R1.28 ClCCOCC1=CC=CC=C1 M10148097P [0,1,0,0,0,1|2,0,0]=4 70 B11R1.28 NCCNCC1=CC=CC=C1 M10060507P [0,1,0,0,0,1|2,0,0]=4 71 B11R1.28 OCCCCC1=CC=NC=C1 M10070100P [0,1,0,0,0,1|1,0,0]=3 72 B11R1.28 OCCCOC1=CC=CC=C1 M10084703P [0,1,0,0,0,1|2,0,0]=4 73 B11R1.28 OCCOCC1=CC=CC=C1 M10016555P [0,1,0,0,0,1|2,0,0]=4 74 B11R1.40 CCC(CC1=CC=CC=C1)=O M10025082P [0,1,0,0,0,1|1,0,1]=4 75 B11R1.91 CN(C)CCC1=CC=CC=C1 M10113667P [0,1,0,0,0,1|2,0,0]=4 76 B11R1.29 O[C@H](C1=CC=CS1)CCNC M10701974P [0,2,0,0,0,0|0,1,0]=3 77 B11R1.214 O=CC1=CNC(CCCC)=N1 M10429897P [0,2,0,0,0,0|2,0,0]=4 78 B11R1.4 CCCCCCC1=CC=CS1 M10157353P [0,2,0,0,0,0|0,1,0]=3 79 B11R1.172 O=C(N)CSCC1=CC=CO1 M10506067P [0,2,0,0,0,0|1,0,1]=4 80 B9R1.2 OC1=CC=CC(CC)=C1 M10016438P [0,0,1,1,0,0|0,0,2]=4 81 B9R1.8 C=COC1CCCCC1 M10040911P [0,0,1,1,0,0|0,0,2]=4 82 B9R1.8 O=CNC1=CCCCC1 M10243505P [0,0,1,1,0,0|2,0,0]=4 83 B11R2.1 ClC1CCC2=C1C=CC=C2 M10226780P [0,0,0,1,0,1|2,0,0]=4 84 B11R2.1 NC1CCC2=C1C=CC=C2 M10437387P [0,0,0,1,0,1|2,0,0]=4 85 B11R2.1 NC1CCC2=CC=CN=C21 M10109508P [0,0,0,1,0,1|2,0,0]=4 86 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 M10217266P [0,0,0,1,0,1|2,0,0]=4 87 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 M10330454P [0,0,0,1,0,1|2,0,0]=4 88 B11R2.1 OC1CCC2=C1C=CC=C2 M10090985P [0,0,0,1,0,1|2,0,0]=4 89 B11R2.20 C12=C(N=CC=N1)CCCC2 M10223803P [0,0,0,1,0,1|1,0,0]=3 90 B11R2.20 C12=NC=CC=C1NCCC2 M10127936P [0,0,0,1,0,1|2,0,0]=4 91 B11R2.238 [C@@H]1(CC2=CC=CC=C2)NC1 M10449917P [0,0,0,1,0,1|2,0,0]=4 92 B11R2.239 C1(C2=CC=CC=C2)CNC1 M10109190P [0,0,0,1,0,1|2,0,0]=4 93 B11R2.239 C1(C2=CC=CC=C2)COC1 M10114041P [0,0,0,1,0,1|2,0,0]=4 94 B11R2.239 C1(C2=CC=CC=C2)NCC1 M10175940P [0,0,0,1,0,1|2,0,0]=4 95 B11R2.106 O=C1C2=C(NC=C2)CCC1 M10126273P [0,1,0,1,0,0|1,0,1]=4 96 B11R2.106 O=C1CCCC2=C1C=CS2 M10123467P [0,1,0,1,0,0|0,1,1]=4 97 B7R1.7 CCCCC1OC1 M10030748P [0,0,0,0,2,0|0,0,2]=4