0 B5R1.1 C1=CNC=C1 BBL011520 [0,0,0,0,0,0|0,0,0]=0 1 B5R1.1 C1=CSC=N1 BBL027512 [0,0,0,0,0,0|1,0,1]=2 2 B6R1.2 BrC1=CNC=N1 BBL011159 [0,1,0,0,0,0|1,0,0]=2 3 B6R1.2 BrC1=NC=CS1 BBL027513 [0,1,0,0,0,0|1,0,1]=3 4 B6R1.2 BrC1=NN=CN1 BBL013240 [0,1,0,0,0,0|2,0,0]=3 5 B6R1.2 CC1=NC=CN1 BBL013047 [0,1,0,0,0,0|1,0,0]=2 6 B6R1.2 CN1C=CN=C1 BBL011447 [0,1,0,0,0,0|1,0,0]=2 7 B6R1.2 ClC1=CC=CS1 BBL027523 [0,1,0,0,0,0|1,0,0]=2 8 B6R1.2 ClC1=NSN=C1 BBL033325 [0,1,0,0,0,0|2,0,1]=4 9 B6R1.2 IC1=NNC=N1 BBL012756 [0,1,0,0,0,0|2,0,0]=3 10 B6R1.2 NC1=CC=NN1 BBL008564 [0,1,0,0,0,0|1,0,0]=2 11 B6R1.2 NC1=CNN=C1 BBL012618 [0,1,0,0,0,0|1,0,0]=2 12 B6R1.2 NC1=NC=CN1 BBL029017 [0,1,0,0,0,0|1,0,0]=2 13 B6R1.2 NC1=NN=NN1 BBL012169 [0,1,0,0,0,0|3,0,0]=4 14 B6R1.2 NC1=NNC=N1 BBL012592 [0,1,0,0,0,0|2,0,0]=3 15 B6R1.2 O=C1C=CCC1 BBL100014 [0,1,0,0,0,0|1,0,1]=3 16 B6R1.2 O=C1NC=NN1 BBL028622 [0,1,0,0,0,0|2,0,0]=3 17 B6R1.2 O=C1OC=CO1 BBL027517 [0,1,0,0,0,0|2,0,0]=3 18 B6R1.2 OC1=NC=NN1 BBL033023 [0,1,0,0,0,0|2,0,0]=3 19 B6R1.2 [NH3+]N1C=NN=C1 BBL002894 [0,1,0,0,0,0|2,0,0]=3 20 B4R0.2 C\C=C\C#N BBL036260 [0,0,1,0,0,0|0,0,3]=4 21 B4R0.2 C\C=C\C=O BBL011428 [0,0,1,0,0,0|1,0,1]=3 22 B4R0.2 C\C=C\CO BBL027414 [0,0,1,0,0,0|1,0,2]=4 23 B6R1.1 C1=CN=CC=N1 BBL027560 [0,0,0,0,0,1|0,0,1]=2 24 B6R1.1 C1=CN=NC=C1 BBL027585 [0,0,0,0,0,1|0,0,1]=2 25 B3R0.1 CNC=O BBL027430 [1,0,1,0,0,0|1,0,1]=4 26 B3R0.1 O=CC=O BBL011519 [1,0,1,0,0,0|2,0,0]=4 27 B5R0.1 C=COC(C)=O BBL036266 [0,1,1,0,0,0|1,0,1]=4 28 B5R0.1 C\C=C\C(=O)Cl BBL011366 [0,1,1,0,0,0|1,0,1]=4 29 B5R0.1 C\C=C\C(=O)O BBL027395 [0,1,1,0,0,0|1,0,1]=4 30 B5R0.3 C=CC(=O)OC BBL011432 [0,1,1,0,0,0|1,0,1]=4 31 B7R1.3 BrC1=CC=CC=N1 BBL027568 [0,1,0,0,0,1|0,0,1]=3 32 B7R1.3 BrC1=CC=NC=C1 BBL009972 [0,1,0,0,0,1|0,0,1]=3 33 B7R1.3 BrC1=CN=CC=C1 BBL027581 [0,1,0,0,0,1|0,0,1]=3 34 B7R1.3 CC1=CC=NC=C1 BBL011459 [0,1,0,0,0,1|0,0,1]=3 35 B7R1.3 ClC1=NC=CC=C1 BBL027569 [0,1,0,0,0,1|0,0,1]=3 36 B7R1.3 ClC1=NC=CN=C1 BBL011919 [0,1,0,0,0,1|0,0,1]=3 37 B7R1.3 FC1=CC=CC=N1 BBL010032 [0,1,0,0,0,1|0,0,1]=3 38 B7R1.3 IC1=CC=NC=C1 BBL009973 [0,1,0,0,0,1|0,0,1]=3 39 B7R1.3 NC1=CC=CC=N1 BBL011573 [0,1,0,0,0,1|0,0,1]=3 40 B7R1.3 OC1=CC=NC=C1 BBL022970 [0,1,0,0,0,1|0,0,1]=3 41 B7R1.3 OC1=CN=CC=C1 BBL010946 [0,1,0,0,0,1|0,0,1]=3 42 B7R1.3 OC1=NC=CC=C1 BBL027571 [0,1,0,0,0,1|0,0,1]=3 43 B7R1.3 SC1=NC=CC=N1 BBL025630 [0,1,0,0,0,1|0,0,1]=3 44 B7R1.1 CCC1=NC=CN1 BBL027503 [0,2,0,0,0,0|1,0,0]=3 45 B7R1.1 CCN1C=CC=N1 BBL038143 [0,2,0,0,0,0|1,0,0]=3 46 B7R1.1 COC1=NC=CS1 BBL037422 [0,2,0,0,0,0|1,0,1]=4 47 B7R1.1 NCC1=CC=CO1 BBL011620 [0,2,0,0,0,0|1,0,0]=3 48 B7R1.1 NCC1=CC=NN1 BBL038226 [0,2,0,0,0,0|1,0,0]=3 49 B7R1.1 O=CC1=CN=CN1 BBL029981 [0,2,0,0,0,0|1,0,0]=3 50 B7R1.1 O=CC1=CNN=C1 BBL038290 [0,2,0,0,0,0|1,0,0]=3 51 B7R1.1 O=CC1=CSC=C1 BBL012656 [0,2,0,0,0,0|1,0,0]=3 52 B7R1.2 CC1=CC(O)=NO1 BBL033480 [0,2,0,0,0,0|1,0,1]=4 53 B7R1.2 CC1=CN=C(Br)S1 BBL031032 [0,2,0,0,0,0|1,0,1]=4 54 B7R1.2 CC1=CN=C(Cl)S1 BBL011206 [0,2,0,0,0,0|1,0,1]=4 55 B7R1.2 CC1=CNC(C)=N1 BBL027875 [0,2,0,0,0,0|1,0,0]=3 56 B7R1.2 CC1=NC(Br)=NN1 BBL032367 [0,2,0,0,0,0|2,0,0]=4 57 B7R1.2 CC1=NN(C)C=C1 BBL038742 [0,2,0,0,0,0|1,0,0]=3 58 B7R1.2 CC1=NN=C(N)N1 BBL007835 [0,2,0,0,0,0|2,0,0]=4 59 B7R1.2 CC1=NNC(Cl)=N1 BBL012850 [0,2,0,0,0,0|2,0,0]=4 60 B7R1.2 CC1=NNC(N)=C1 BBL010620 [0,2,0,0,0,0|1,0,0]=3 61 B7R1.2 CC1=NOC(N)=C1 BBL010138 [0,2,0,0,0,0|1,0,1]=4 62 B7R1.2 CN1C=C(Br)C=N1 BBL029607 [0,2,0,0,0,0|1,0,0]=3 63 B7R1.2 CN1C=C(I)C=N1 BBL104368 [0,2,0,0,0,0|1,0,0]=3 64 B7R1.2 CN1C=CC(N)=N1 BBL028677 [0,2,0,0,0,0|1,0,0]=3 65 B7R1.2 CN1C=NC(Br)=C1 BBL037036 [0,2,0,0,0,0|1,0,0]=3 66 B7R1.2 CN1C=NC(Br)=N1 BBL031818 [0,2,0,0,0,0|2,0,0]=4 67 B7R1.2 CN1C=NC(Cl)=N1 BBL033283 [0,2,0,0,0,0|2,0,0]=4 68 B7R1.2 ClC1=NNC(Br)=N1 BBL033067 [0,2,0,0,0,0|2,0,0]=4 69 B7R1.2 ClC1=NNC(Cl)=N1 BBL013218 [0,2,0,0,0,0|2,0,0]=4 70 B7R1.2 NC1=CC(=O)CC1 BBL032125 [0,2,0,0,0,0|1,0,1]=4 71 B7R1.2 NC1=CC(O)=NO1 BBL028339 [0,2,0,0,0,0|1,0,1]=4 72 B7R1.2 NC1=CC([O-])=NO1 BBL036764 [0,2,0,0,0,0|1,0,1]=4 73 B7R1.2 NC1=NN=C(N)N1 BBL001888 [0,2,0,0,0,0|2,0,0]=4 74 B7R1.2 NC1=NNC(=O)C1 BBL011764 [0,2,0,0,0,0|1,0,1]=4 75 B7R1.2 NC1=NNC(S)=N1 BBL004942 [0,2,0,0,0,0|2,0,0]=4 76 B7R1.2 O=C1C=C(Cl)CC1 BBL032126 [0,2,0,0,0,0|1,0,1]=4 77 B7R1.2 O=C1CNC(=O)N1 BBL013200 [0,2,0,0,0,0|1,0,1]=4 78 B7R1.2 O=C1CNC(=S)N1 BBL037427 [0,2,0,0,0,0|1,0,1]=4 79 B7R1.2 O=C1CNC(=S)S1 BBL029808 [0,2,0,0,0,0|1,0,1]=4 80 B7R1.2 O=C1NN=C(Cl)N1 BBL032494 [0,2,0,0,0,0|2,0,0]=4 81 B7R1.2 OC1=NNC(Br)=N1 BBL033636 [0,2,0,0,0,0|2,0,0]=4 82 B7R1.2 [O-][N+]1=CN(O)C=C1 BBL028359 [0,2,0,0,0,0|1,0,0]=3 83 B7R1.4 CC1=CC=NN1C BBL029437 [0,2,0,0,0,0|1,0,0]=3 84 B7R1.4 CC1=NC=CN1C BBL011425 [0,2,0,0,0,0|1,0,0]=3 85 B7R1.4 CC1=NNC=C1Br BBL013133 [0,2,0,0,0,0|1,0,0]=3 86 B7R1.4 CC1=NNC=C1I BBL031626 [0,2,0,0,0,0|1,0,0]=3 87 B7R1.4 CC1=NNC=C1N BBL030292 [0,2,0,0,0,0|1,0,0]=3 88 B7R1.4 IC1=C(I)NC=N1 BBL029092 [0,2,0,0,0,0|1,0,0]=3 89 B7R1.4 NC1=NNC=C1Br BBL010207 [0,2,0,0,0,0|1,0,0]=3 90 B7R1.24 C1=CC=CCC=C1 BBL027452 [0,0,0,0,0,2|1,0,0]=3