0 B9R1.8 BrCCC1=NC=CC=C1 B050856 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 CNCC1=CC=CC=N1 B059678 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 CNCC1=NC=CN=C1 B050431 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.8 ClCCC1=NC=CC=C1 B050813 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.8 NOCC1=CC=CC=C1 B022277 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.2 NCC1=NC=CN=C1 B050555 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [0,1,0,0,0,0|1,0,0]=2 7 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.4 CCOC1=C(N)N=CC=C1 B050894 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.10 CNCC1=CC(O)=CC=C1 B039552 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.15 C#CC(=O)C1=CC=CC=C1 B048976 [0,1,0,0,0,0|1,0,2]=4 11 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [0,1,0,0,0,0|1,0,0]=2 12 B10R1.15 N\C(=N/O)C1=CC=CC=C1 B020566 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.17 BrCCCC1=CN=CC=C1 B050854 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.17 NCCCC1=CC=CC=N1 B048973 [0,1,0,0,0,0|1,0,0]=2 15 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [0,1,0,0,0,0|1,0,0]=2 16 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [0,1,0,0,0,0|0,0,1]=2 17 B10R2.7 C1=CC2=C(N=C1)NN=C2 B039109 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.8 CCCC1=CC=CS1 B046363 [0,0,0,0,1,0|2,0,0]=3 19 B8R1.8 CCCN1C=CC=N1 B030577 [0,0,0,0,1,0|3,0,0]=4 20 B8R1.8 CCCN1C=CN=C1 B046400 [0,0,0,0,1,0|3,0,0]=4 21 B8R1.8 ClCCC1=CNN=C1 B047502 [0,0,0,0,1,0|3,0,0]=4 22 B8R1.8 ClCCN1C=CC=N1 B021982 [0,0,0,0,1,0|3,0,0]=4 23 B8R1.8 FCCN1C=CC=N1 B051599 [0,0,0,0,1,0|3,0,0]=4 24 B8R1.8 NCCC1=CC=CO1 B029933 [0,0,0,0,1,0|1,0,0]=2 25 B8R1.8 NCCC1=CC=CO1 B049455 [0,0,0,0,1,0|1,0,0]=2 26 B8R1.8 NCCC1=CNC=N1 B048931 [0,0,0,0,1,0|2,0,0]=3 27 B8R1.8 NCCC1=CNN=C1 B037041 [0,0,0,0,1,0|2,0,0]=3 28 B8R1.8 NCCC1=CNN=C1 B046264 [0,0,0,0,1,0|2,0,0]=3 29 B8R1.8 NCCC1=NC=CS1 B059753 [0,0,0,0,1,0|2,0,0]=3 30 B8R1.8 NCCN1C=CC=N1 B016657 [0,0,0,0,1,0|2,0,0]=3 31 B8R1.8 NCCN1C=CN=C1 B046367 [0,0,0,0,1,0|2,0,0]=3 32 B8R1.8 OCCC1=CNN=C1 B006537 [0,0,0,0,1,0|3,0,0]=4 33 B8R1.8 OCCC1=CNN=C1 B018513 [0,0,0,0,1,0|3,0,0]=4 34 B8R1.8 OCCN1C=CC=N1 B021981 [0,0,0,0,1,0|3,0,0]=4 35 B9R1.1 NCC1=CC=C(N)C=C1 B049905 [1,1,0,0,0,0|0,0,0]=2 36 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [1,1,0,0,0,0|0,0,0]=2 37 B9R1.2 CC1=NC=CC(CN)=N1 B059729 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.2 NC1=NC=CC(CO)=C1 B039501 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.6 CC(N)C1=CC=NC=C1 B006179 [1,1,0,0,0,0|1,0,0]=3 40 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [1,1,0,0,0,0|1,0,1]=4 41 B9R1.15 CC1=C(CBr)N=CC=C1 B016007 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.15 CC1=C(CBr)N=CC=C1 B062311 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.15 COC1=CC=CN=C1O B039509 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.7 CC1=CN(CCN)N=C1 B038611 [0,1,0,0,1,0|2,0,0]=4 45 B9R1.7 CC1=NN(CCN)C=C1 B023878 [0,1,0,0,1,0|2,0,0]=4 46 B9R1.7 CN1C=C(CCN)C=N1 B047580 [0,1,0,0,1,0|2,0,0]=4 47 B9R1.7 CN1C=CC(CCN)=N1 B047652 [0,1,0,0,1,0|2,0,0]=4 48 B9R1.7 NCCN1C=C(Br)C=N1 B016101 [0,1,0,0,1,0|2,0,0]=4 49 B9R1.7 NCCN1C=C(Cl)C=N1 B014438 [0,1,0,0,1,0|2,0,0]=4 50 B9R1.7 NCCN1C=CC(Br)=N1 B050955 [0,1,0,0,1,0|2,0,0]=4 51 B9R1.11 CC(CN)N1C=CC=N1 B037385 [0,1,0,0,1,0|2,0,0]=4 52 B9R1.12 CNCCC1=CNN=C1 B037042 [0,1,0,0,1,0|2,0,0]=4 53 B9R1.12 NCCCC1=CNN=C1 B037045 [0,1,0,0,1,0|2,0,0]=4 54 B9R1.12 NCCCC1=CNN=C1 B047246 [0,1,0,0,1,0|2,0,0]=4 55 B9R1.12 NCCCN1C=CC=N1 B007325 [0,1,0,0,1,0|2,0,0]=4 56 B9R1.12 NCCCN1C=CN=C1 B022339 [0,1,0,0,1,0|2,0,0]=4 57 B9R1.13 CC(N)CC1=CC=CO1 B030489 [0,1,0,0,1,0|1,0,0]=3 58 B9R1.13 CC(N)CN1C=CC=N1 B021100 [0,1,0,0,1,0|2,0,0]=4 59 B9R1.13 CC(N)CN1C=CN=C1 B049820 [0,1,0,0,1,0|2,0,0]=4 60 B9R1.33 CC1=CC=NN1CCN B023879 [0,1,0,0,1,0|2,0,0]=4 61 B9R1.33 CN1C=CN=C1CCN B059762 [0,1,0,0,1,0|2,0,0]=4 62 B9R1.33 CN1N=CC=C1CCN B047655 [0,1,0,0,1,0|2,0,0]=4 63 B11R1.1 NC1=CC=C(OCCO)C=C1 B030702 [0,2,0,0,0,0|1,0,0]=3 64 B11R1.1 NC1=CC=C(OCCO)C=C1 B038630 [0,2,0,0,0,0|1,0,0]=3 65 B11R1.1 NCCCC1=CC=C(Cl)C=C1 B049887 [0,2,0,0,0,0|0,0,0]=2 66 B11R1.20 NC1=CC=C(OC(F)F)C=C1 B014415 [0,2,0,0,0,0|2,0,0]=4 67 B11R1.22 CNC(C)C1=CC=C(F)C=C1 B039530 [0,2,0,0,0,0|2,0,0]=4 68 B11R1.81 CCSC1=C(N)C=C(Cl)C=C1 B049688 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.17 CC1=C(OCCN)C=CC=C1 B050096 [0,2,0,0,0,0|0,0,0]=2 70 B11R1.17 NC1=CC=CC=C1OCCO B030703 [0,2,0,0,0,0|1,0,0]=3 71 B11R1.17 NCCCC1=CC=CC=C1Cl B049213 [0,2,0,0,0,0|0,0,0]=2 72 B11R1.86 NC(=O)NC1=CC=CC=C1Cl B028823 [0,2,0,0,0,0|1,0,1]=4 73 B11R1.86 NC1=CC=CC=C1OC(F)F B014397 [0,2,0,0,0,0|2,0,0]=4 74 B11R1.222 NNC(=O)C1=CC=CC=C1N B015275 [0,2,0,0,0,0|1,0,1]=4 75 B11R1.24 CC1=CC=CC(OCCN)=C1 B050095 [0,2,0,0,0,0|0,0,0]=2 76 B11R1.157 C(F)(F)OC1=CC=CC(N)=C1 B046376 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 B048575 [0,2,0,0,0,0|1,0,1]=4 78 B11R1.16 CC(N=C=O)C1=CC=CC=C1 B028614 [0,2,0,0,0,0|1,0,1]=4 79 B11R1.16 OC(C#CBr)C1=CC=CC=C1 B049488 [0,2,0,0,0,0|1,0,1]=4 80 B11R1.40 CNC(C)CC1=CN=CC=N1 B037035 [0,2,0,0,0,0|2,0,0]=4 81 B11R1.91 O=C(O)CCC1=NC=CC=C1 B039507 [0,2,0,0,0,0|2,0,0]=4 82 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [0,2,0,0,0,0|1,0,1]=4 83 B11R2.36 NC1=CC2=C(C=C1)C=NN2 B019849 [0,1,0,1,0,0|1,0,1]=4 84 B11R2.36 NC1=CC2=C(C=CN2)C=C1 B050532 [0,1,0,1,0,0|0,0,2]=4 85 B11R2.10 ClC1=NC2=CC=CC=C2N1 B028974 [0,1,0,1,0,0|1,0,1]=4 86 B11R2.10 NC1=NC2=CC=CC=C2O1 B039652 [0,1,0,1,0,0|1,0,1]=4 87 B11R2.55 NC1=CC=CC=C1C2CC2 B039285 [0,1,0,1,0,0|1,0,0]=3 88 B11R2.106 NC1=C2NN=CC2=CC=C1 B049588 [0,1,0,1,0,0|1,0,1]=4 89 B11R2.106 NC1=CC=CC2=C1N=CN2 B049587 [0,1,0,1,0,0|1,0,1]=4 90 B11R2.1 NC1=NNC2=C1C=CC=C2 B047143 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.1 CCC1=CC=NO1 B063494 [1,0,0,0,1,0|2,0,0]=4 92 B7R1.1 CCC1=NNC=C1 B063501 [1,0,0,0,1,0|2,0,0]=4 93 B7R1.1 CCN1C=CC=N1 B006762 [1,0,0,0,1,0|2,0,0]=4 94 B7R1.1 CCN1C=CN=C1 B039755 [1,0,0,0,1,0|2,0,0]=4 95 B7R1.1 NCC1=CN=CS1 B059797 [1,0,0,0,1,0|2,0,0]=4 96 B7R1.1 NCC1=CNN=C1 B047069 [1,0,0,0,1,0|2,0,0]=4 97 B7R1.1 NCC1=NC=CS1 B059667 [1,0,0,0,1,0|2,0,0]=4 98 B7R1.1 NCC1=NNC=C1 B014395 [1,0,0,0,1,0|2,0,0]=4