0 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [0,0,0,0,0,0|2,1,0]=3 1 B8R1.2 NCC1=NC=CN=C1 B050555 [1,0,0,0,0,0|1,0,1]=3 2 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [0,1,0,0,0,0|2,0,0]=3 3 B10R1.15 C#CC(=O)C1=CC=CC=C1 B048976 [0,1,0,0,0,0|2,0,1]=4 4 B10R1.15 N\C(=N/O)C1=CN=CC=C1 B030080 [0,1,0,0,0,0|2,0,1]=4 5 B10R1.15 N\C(=N/O)C1=NC=CC=C1 B030083 [0,1,0,0,0,0|2,0,1]=4 6 B10R1.61 NC1=C(C(=O)O)C=NC=N1 B050277 [0,1,0,0,0,0|3,0,0]=4 7 B10R1.61 NC1=C([N+](=O)[O-])C=NC=C1 B050310 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=N1 B050415 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.61 O=[N+]([O-])C1=CC=CN=C1O B050312 [0,1,0,0,0,0|3,0,0]=4 10 B8R1.7 CC(C)C1=NNC=C1 B037623 [0,0,0,0,1,0|2,0,1]=4 11 B8R1.7 CC(C)N1C=CC=N1 B036490 [0,0,0,0,1,0|2,0,1]=4 12 B8R1.7 CC(C)N1C=CN=C1 B039769 [0,0,0,0,1,0|2,0,1]=4 13 B8R1.7 CC(C)N1C=NC=N1 B051927 [0,0,0,0,1,0|2,0,1]=4 14 B8R1.7 CC(N)C1=CC=CS1 B030506 [0,0,0,0,1,0|2,0,1]=4 15 B8R1.7 CC(N)C1=CSC=N1 B059754 [0,0,0,0,1,0|2,0,1]=4 16 B8R1.7 CC(N)C1=NC=CS1 B059669 [0,0,0,0,1,0|2,0,1]=4 17 B8R1.7 NC(=O)C1=CNN=C1 B037919 [0,0,0,0,1,0|2,0,0]=3 18 B8R1.7 NC(=O)C1=NNC=C1 B039302 [0,0,0,0,1,0|2,0,0]=3 19 B8R1.7 NC(=S)C1=NOC=N1 B050878 [0,0,0,0,1,0|2,1,0]=4 20 B8R1.7 O=C(Cl)C1=CNN=C1 B047520 [0,0,0,0,1,0|2,0,0]=3 21 B8R1.7 O=C(O)C1=CC=NS1 B049203 [0,0,0,0,1,0|2,0,0]=3 22 B8R1.7 O=C(O)C1=CNN=C1 B015883 [0,0,0,0,1,0|2,0,0]=3 23 B8R1.7 O=C(O)C1=NNC=C1 B000140 [0,0,0,0,1,0|2,0,0]=3 24 B8R1.7 O=C(O)C1=NNC=N1 B048959 [0,0,0,0,1,0|2,0,0]=3 25 B8R1.7 O=C(O)C1=NON=C1 B050168 [0,0,0,0,1,0|2,0,0]=3 26 B8R1.7 O=C(O)C1=NSN=C1 B049226 [0,0,0,0,1,0|2,0,0]=3 27 B8R1.7 O=[N+]([O-])C1=CNN=C1 B001469 [0,0,0,0,1,0|3,0,0]=4 28 B8R1.7 O=[N+]([O-])C1=NNC=C1 B006760 [0,0,0,0,1,0|3,0,0]=4 29 B8R1.7 O=[N+]([O-])C1=NNC=N1 B006601 [0,0,0,0,1,0|3,0,0]=4 30 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [0,0,0,0,0,1|2,0,1]=4 31 B9R1.8 BrCCC1=NC=CC=C1 B050856 [1,1,0,0,0,0|1,0,1]=4 32 B9R1.8 CNCC1=CC=CC=N1 B059678 [1,1,0,0,0,0|1,0,1]=4 33 B9R1.8 CNCC1=NC=CN=C1 B050431 [1,1,0,0,0,0|0,0,1]=3 34 B9R1.8 ClCCC1=NC=CC=C1 B050813 [1,1,0,0,0,0|1,0,1]=4 35 B9R1.15 COC1=CC=CN=C1O B039509 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.15 NC1=C(C=O)C=NC=C1 B050347 [1,1,0,0,0,0|1,0,0]=3 37 B9R1.15 NC1=NC=CC=C1C=O B049085 [1,1,0,0,0,0|1,0,0]=3 38 B9R1.11 CCC(=O)C1=NC=CS1 B059780 [0,1,0,0,1,0|1,0,0]=3 39 B9R1.11 CNC(=O)C1=CNN=C1 B046789 [0,1,0,0,1,0|1,0,0]=3 40 B9R1.11 CNC(=O)C1=NNC=C1 B047463 [0,1,0,0,1,0|1,0,0]=3 41 B9R1.11 COC(=O)C1=CC=CN1 B049814 [0,1,0,0,1,0|0,0,1]=3 42 B9R1.11 COC(=O)C1=CC=NN1 B016176 [0,1,0,0,1,0|1,0,0]=3 43 B9R1.11 COC(=O)C1=CC=NO1 B038949 [0,1,0,0,1,0|1,0,0]=3 44 B9R1.11 COC(=O)C1=CNN=C1 B030267 [0,1,0,0,1,0|1,0,0]=3 45 B9R1.11 C\C(=N/O)C1=CC=CO1 B006531 [0,1,0,0,1,0|1,0,1]=4 46 B9R1.11 NNC(=O)C1=NNC=C1 B015431 [0,1,0,0,1,0|2,0,0]=4 47 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [0,1,0,0,1,0|1,0,0]=3 48 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [0,1,0,0,1,0|1,0,0]=3 49 B9R1.35 CC(=O)C1=CN(C)N=C1 B007418 [0,1,0,0,1,0|1,0,0]=3 50 B9R1.35 CC(=O)C1=CSC(C)=N1 B059741 [0,1,0,0,1,0|1,0,0]=3 51 B9R1.35 CC(=O)C1=NN(C)C=C1 B017804 [0,1,0,0,1,0|1,0,0]=3 52 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [0,1,0,0,1,0|2,0,0]=4 53 B9R1.35 CC1=CC(C(=O)O)=NN1 B000144 [0,1,0,0,1,0|2,0,0]=4 54 B9R1.35 CC1=CC(C(=O)O)=NO1 B007473 [0,1,0,0,1,0|2,0,0]=4 55 B9R1.35 CC1=NOC(C(=O)O)=C1 B028540 [0,1,0,0,1,0|2,0,0]=4 56 B9R1.35 CN1C=C(C(=O)Cl)C=N1 B011574 [0,1,0,0,1,0|2,0,0]=4 57 B9R1.35 CN1C=C(C(=O)O)C=N1 B000227 [0,1,0,0,1,0|2,0,0]=4 58 B9R1.35 CN1C=CC(C(=O)Cl)=N1 B006627 [0,1,0,0,1,0|2,0,0]=4 59 B9R1.35 CN1C=CC(C(=O)O)=N1 B000139 [0,1,0,0,1,0|2,0,0]=4 60 B9R1.35 CN1C=CC(C(N)=O)=N1 B047067 [0,1,0,0,1,0|2,0,0]=4 61 B9R1.35 CN1C=NC(C(=O)O)=C1 B049879 [0,1,0,0,1,0|1,0,1]=4 62 B9R1.35 NC(=O)C1=CC=C(F)S1 B051305 [0,1,0,0,1,0|2,0,0]=4 63 B9R1.35 NC(=O)C1=NNC(N)=C1 B046261 [0,1,0,0,1,0|2,0,0]=4 64 B9R1.35 NC1=NNC(C(=O)O)=C1 B007338 [0,1,0,0,1,0|2,0,0]=4 65 B9R1.35 O=C(Cl)C1=CC=C(F)S1 B051304 [0,1,0,0,1,0|2,0,0]=4 66 B9R1.35 O=C(O)C1=CC(Br)=CS1 B013954 [0,1,0,0,1,0|2,0,0]=4 67 B9R1.35 O=C(O)C1=CC(I)=NN1 B062956 [0,1,0,0,1,0|2,0,0]=4 68 B9R1.35 O=C(O)C1=CC=C(F)S1 B029946 [0,1,0,0,1,0|2,0,0]=4 69 B9R1.41 CC(=O)C1=CC=NN1C B017805 [0,1,0,0,1,0|1,0,0]=3 70 B9R1.41 CC(=O)C1=NON=C1C B048952 [0,1,0,0,1,0|1,0,0]=3 71 B9R1.41 CC1=NNN=C1C(=O)O B017733 [0,1,0,0,1,0|2,0,0]=4 72 B9R1.41 CC1=NON=C1C(=O)O B036267 [0,1,0,0,1,0|2,0,0]=4 73 B9R1.41 CC1=NON=C1C(N)=O B049486 [0,1,0,0,1,0|2,0,0]=4 74 B9R1.41 CN1N=CC=C1C(=O)Cl B006621 [0,1,0,0,1,0|2,0,0]=4 75 B9R1.41 CN1N=CC=C1C(=O)O B000141 [0,1,0,0,1,0|2,0,0]=4 76 B9R1.41 CN1N=CC=C1C(N)=O B020779 [0,1,0,0,1,0|2,0,0]=4 77 B9R1.41 NC(=O)C1=C(N)SC=C1 B014696 [0,1,0,0,1,0|2,0,0]=4 78 B9R1.41 NC(=O)C1=CNN=C1N B050829 [0,1,0,0,1,0|2,0,0]=4 79 B9R1.41 NC(=O)C1=NNC=C1I B047693 [0,1,0,0,1,0|2,0,0]=4 80 B9R1.41 NC(=O)C1=NNC=C1N B047294 [0,1,0,0,1,0|2,0,0]=4 81 B9R1.41 NC(=O)C1=NSC=C1N B050218 [0,1,0,0,1,0|2,0,0]=4 82 B9R1.41 NC1=CNN=C1C(=O)O B047686 [0,1,0,0,1,0|2,0,0]=4 83 B9R1.41 NC1=CSN=C1C(=O)O B049586 [0,1,0,0,1,0|2,0,0]=4 84 B9R1.41 NC1=NNC=C1C(=O)O B007340 [0,1,0,0,1,0|2,0,0]=4 85 B9R1.41 O=C(Cl)C1=NNC=C1Br B011870 [0,1,0,0,1,0|2,0,0]=4 86 B9R1.41 O=C(Cl)C1=NNC=C1Cl B011488 [0,1,0,0,1,0|2,0,0]=4 87 B9R1.41 O=C(O)C1=NNC=C1Br B006501 [0,1,0,0,1,0|2,0,0]=4 88 B9R1.41 O=C(O)C1=NNC=C1Cl B000131 [0,1,0,0,1,0|2,0,0]=4 89 B9R1.41 O=C(O)C1=NNC=C1I B006484 [0,1,0,0,1,0|2,0,0]=4 90 B11R1.40 CNC(C)CC1=CN=CC=N1 B037035 [0,1,0,0,0,1|1,0,1]=4 91 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 B037032 [0,1,0,0,0,1|1,0,0]=3 92 B11R1.3 COC1=NC=C(C(=O)O)C=C1 B049007 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.22 COC(=O)C1=NC=C(O)N=C1 B050274 [0,2,0,0,0,0|0,0,0]=2 94 B11R1.222 COC(=O)C1=CC=CN=C1S B047304 [0,2,0,0,0,0|1,0,0]=3 95 B9R1.13 CC(=O)CN1C=CN=C1 B039452 [0,0,1,1,0,0|0,0,2]=4 96 B7R1.1 C(=O)C1=CC=NN1 B039168 [1,0,0,0,1,0|1,0,0]=3 97 B7R1.1 CCC1=CC=NO1 B063494 [1,0,0,0,1,0|1,0,1]=4 98 B7R1.1 CCC1=NNC=C1 B063501 [1,0,0,0,1,0|1,0,1]=4 99 B7R1.1 CCN1C=CC=N1 B006762 [1,0,0,0,1,0|1,0,1]=4 100 B7R1.1 CCN1C=CN=C1 B039755 [1,0,0,0,1,0|1,0,1]=4 101 B7R1.1 CCN1C=NC=N1 B051895 [1,0,0,0,1,0|1,0,1]=4 102 B7R1.1 O=CC1=CNN=C1 B015969 [1,0,0,0,1,0|1,0,0]=3 103 B7R1.1 O=CC1=CNN=C1 B039241 [1,0,0,0,1,0|1,0,0]=3 104 B7R1.1 O=CC1=NC=CS1 B046187 [1,0,0,0,1,0|1,0,0]=3 105 B11R1.91 O=C(O)CCC1=NC=CC=C1 B039507 [0,0,0,0,0,2|2,0,0]=4 106 B11R1.91 O=C(O)CSC1=NC=CC=C1 B003349 [0,0,0,0,0,2|2,0,0]=4