0 B7R1.2 CC1=CC(I)=NN1 B051816 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.2 CC1=CN(C)C=N1 B046338 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.2 CC1=CN(C)N=C1 B046181 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 CC1=NN=C(N)O1 B036399 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.2 CC1=NN=C(S)N1 B035800 [0,0,0,0,0,0|3,1,0]=4 5 B7R1.2 CC1=NOC(N)=C1 B030049 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.2 CN1C=C(Br)C=N1 B040735 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.2 CN1C=C(Cl)C=N1 B040734 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.2 CN1C=C(I)C=N1 B047728 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 CN1C=C(N)C=N1 B022860 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.2 CN1C=C(N)C=N1 B037105 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.2 NC1=CC(Br)=NN1 B062305 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.2 NC1=CC(Br)=NN1 B062306 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.2 NC1=CC(I)=NN1 B062381 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.2 NC1=CC(I)=NN1 B062398 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.2 NC1=CC(N)=NN1 B046387 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.2 NC1=CC(O)=NN1 B038492 [0,0,0,0,0,0|3,0,1]=4 17 B6R1.2 BrC1=NNC=C1 B050964 [1,0,0,0,0,0|3,0,0]=4 18 B6R1.2 CC1=CNN=C1 B014452 [1,0,0,0,0,0|2,0,1]=4 19 B6R1.2 CC1=NN=CN1 B037419 [1,0,0,0,0,0|3,0,0]=4 20 B6R1.2 CC1=NNC=C1 B022230 [1,0,0,0,0,0|2,0,0]=3 21 B6R1.2 CN1C=CC=N1 B006761 [1,0,0,0,0,0|2,0,1]=4 22 B6R1.2 CN1C=CN=C1 B039756 [1,0,0,0,0,0|2,0,1]=4 23 B6R1.2 FC1=CC=CS1 B039753 [1,0,0,0,0,0|2,0,1]=4 24 B6R1.2 IC1=NNC=C1 B050979 [1,0,0,0,0,0|3,0,0]=4 25 B6R1.2 NC1=NNC=C1 B037276 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.1 CC1=CC(CCl)=NO1 B037983 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.1 CC1=CC(CO)=NO1 B037451 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.1 CC1=CC=C(C=O)S1 B015983 [0,1,0,0,0,0|1,0,2]=4 29 B8R1.1 CC1=NNC(C=O)=C1 B014001 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.1 CC1=NNC(CN)=C1 B040410 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.1 CC1=NOC(C#N)=C1 B046396 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.1 CC1=NOC(CN)=C1 B038372 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.1 CC1=NOC(CN)=C1 B039279 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.1 CC1=NOC(CO)=C1 B037452 [0,1,0,0,0,0|2,0,1]=4 35 B8R1.1 CN1C=C(C=O)C=N1 B000400 [0,1,0,0,0,0|2,0,1]=4 36 B8R1.1 ClCC1=CC(I)=NN1 B062994 [0,1,0,0,0,0|3,0,0]=4 37 B8R1.1 NC1=NNC(CO)=C1 B047583 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.1 NCC1=CC(I)=NN1 B063004 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.1 O=CC1=CSC(Br)=C1 B059806 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.1 OCC1=CC(I)=NN1 B062984 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.18 CC1=CC(Br)=NN1C B050946 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.18 CC1=CC(Cl)=NN1C B058980 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.18 CC1=CC(I)=NN1C B050965 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.18 CC1=CC(N)=NN1C B039190 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.18 CC1=CC(N)=NN1C B047156 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.18 CC1=NN(C)C(F)=C1 B051212 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.18 CC1=NN(C)C(N)=C1 B051584 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.50 CC1=C(Br)C(N)=NN1 B007337 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.50 CC1=C(Cl)C(N)=NN1 B007336 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.50 CC1=C(I)C(N)=NN1 B051674 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.50 CC1=NNC(C)=C1Br B001459 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.50 CC1=NNC(C)=C1Cl B001465 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.50 CC1=NNC(C)=C1I B037460 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.50 CC1=NNC(C)=C1N B018722 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.50 CC1=NNC(N)=C1Cl B030216 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.50 CC1=NOC(C)=C1N B029429 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.50 CN1C(=O)CNC1=S B014802 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.50 NN1C(=O)CSC1=S B028622 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.3 CC1=CN=C(O)N=C1 B038992 [0,0,0,0,0,1|1,0,2]=4 60 B8R1.3 CC1=CN=C(S)N=C1 B029371 [0,0,0,0,0,1|1,1,1]=4 61 B5R0.3 CCC(=O)NN B015434 [1,0,1,0,0,0|2,0,0]=4 62 B7R1.1 C(=O)C1=CC=NN1 B039168 [1,1,0,0,0,0|2,0,0]=4 63 B7R1.1 CCC1=CC=NO1 B063494 [1,1,0,0,0,0|2,0,0]=4 64 B7R1.1 CCC1=NNC=C1 B063501 [1,1,0,0,0,0|2,0,0]=4 65 B7R1.1 ClCC1=CC=NO1 B049837 [1,1,0,0,0,0|2,0,0]=4 66 B7R1.1 ClCC1=NOC=C1 B049730 [1,1,0,0,0,0|2,0,0]=4 67 B7R1.1 NCC1=NNC=C1 B014395 [1,1,0,0,0,0|2,0,0]=4 68 B7R1.1 OCC1=NNC=C1 B047364 [1,1,0,0,0,0|2,0,0]=4 69 B7R1.4 CC1=C(C)ON=C1 B063491 [1,1,0,0,0,0|2,0,0]=4 70 B7R1.4 CC1=CC=NN1C B006758 [1,1,0,0,0,0|2,0,0]=4 71 B7R1.4 CC1=NNC=C1Br B030262 [1,1,0,0,0,0|2,0,0]=4 72 B7R1.4 CC1=NNC=C1Cl B020772 [1,1,0,0,0,0|2,0,0]=4 73 B7R1.4 CC1=NNC=C1I B047689 [1,1,0,0,0,0|2,0,0]=4 74 B7R1.4 CC1=NNC=C1N B047500 [1,1,0,0,0,0|2,0,0]=4 75 B7R1.14 O=S1(=O)C=CCC1 B050519 [1,1,0,0,0,0|1,0,0]=3 76 B9R1.69 CC1CN(C)CCC1=O B048625 [0,1,0,0,0,1|1,0,1]=4 77 B9R1.21 C(=O)C1=CC(CC)=NO1 B046284 [0,2,0,0,0,0|2,0,0]=4 78 B9R1.22 CC1=CC(C=O)=C(C)S1 B018517 [0,2,0,0,0,0|1,0,1]=4 79 B9R1.22 CC1=NN(C)C(C=O)=C1 B015985 [0,2,0,0,0,0|2,0,0]=4 80 B9R1.23 CC1=CC(C=O)=NN1C B015981 [0,2,0,0,0,0|2,0,0]=4 81 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [0,2,0,0,0,0|1,0,1]=4 82 B9R1.35 CC1=CC(C(=O)O)=NN1 B000144 [0,2,0,0,0,0|2,0,0]=4 83 B9R1.35 CC1=CC(C(=O)O)=NO1 B007473 [0,2,0,0,0,0|2,0,0]=4 84 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 B001474 [0,2,0,0,0,0|2,0,0]=4 85 B9R1.35 CC1=NOC(C(=O)O)=C1 B028540 [0,2,0,0,0,0|2,0,0]=4