0 B9R1.69 CC1=C(N)C=C(N)C=C1 BBL011285 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 CC1=CC(=O)C=CC1=O BBL037012 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 CC1=CC(N)=C(N)C=C1 BBL013178 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.69 CC1=CC(N)=C(O)C=C1 BBL001485 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 CC1=NNC(=O)C(N)=C1 BBL005268 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 FC1=C(Cl)N=C(Cl)N=C1 BBL028442 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.69 NC1=CC(Cl)=CC=C1Cl BBL037329 [0,0,0,0,0,0|3,1,0]=4 7 B9R1.69 NC1=CC(Cl)=CC=C1O BBL012067 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.69 NC1=CC=C(Cl)C=C1N BBL027789 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 NC1=CNC(=O)NC1=O BBL011353 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.69 O=C1NC=C(Br)C(=O)N1 BBL013052 [0,0,0,0,0,0|1,1,1]=3 11 B9R1.69 OC1=NC=C(I)C(O)=N1 BBL035414 [0,0,0,0,0,0|1,1,2]=4 12 B8R1.3 CC1=CN=C(S)N=C1 BBL038257 [1,0,0,0,0,0|1,1,1]=4 13 B8R1.3 ClC1=CC=C(Br)C=N1 BBL012798 [1,0,0,0,0,0|2,1,0]=4 14 B8R1.3 FC1=CN=C(Cl)C=C1 BBL029883 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.3 NC1=CN=C(Cl)C=C1 BBL011061 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.3 O=C1C=CC(=O)C=C1 BBL010327 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.3 OC1=NC=C(Cl)C=C1 BBL027573 [1,0,0,0,0,0|1,1,1]=4 18 B8R1.4 CC1=CC(C)=NC=C1 BBL027575 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.4 NC1=CC(S)=CC=C1 BBL027659 [1,0,0,0,0,0|2,1,0]=4 20 B8R1.4 NC1=CC=CC(N)=N1 BBL011548 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.4 NC1=CC=NC(Cl)=C1 BBL009974 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.4 NC1=NC=CC(Cl)=C1 BBL011142 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.5 CC1=C(Br)C=NC=C1 BBL028165 [1,0,0,0,0,0|2,1,0]=4 24 B8R1.5 CC1=CC=NC=C1C BBL027583 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.5 NC1=C(I)C=CC=C1 BBL011389 [1,0,0,0,0,0|2,1,0]=4 26 B8R1.5 NC1=C(N)C=NC=C1 BBL013269 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.5 NC1=C(O)C=CC=N1 BBL009590 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.5 NC1=C(O)C=CN=C1 BBL011065 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.5 NC1=CC=CN=C1N BBL011063 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.22 CC1=C(N)NC(=O)NC1=O BBL036589 [0,1,0,0,0,0|1,0,1]=3 31 B10R1.22 NC1=C(Br)C(=O)NC(=O)N1 BBL029044 [0,1,0,0,0,0|0,1,1]=3 32 B10R1.22 NC1=C(N)C(O)=NC(O)=N1 BBL036794 [0,1,0,0,0,0|1,0,2]=4 33 B10R1.22 NC1=NC(N)=C(N)C(N)=N1 BBL028285 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.22 NC1=NC(O)=C(N)C(N)=N1 BBL028401 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.22 O=C1NC(=O)C(=O)C(=O)N1 BBL002915 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.25 CC1=NC=C(C#N)C(N)=N1 BBL028175 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.25 N#CC1=CNC(=O)N=C1N BBL012794 [0,1,0,0,0,0|1,0,2]=4 38 B10R1.176 O=CC1=CC=C(F)C(Cl)=C1 BBL036948 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.18 CC1=CC(=O)OC1=O BBL011623 [0,0,0,0,1,0|3,0,0]=4 40 B8R1.18 CC1=NC(Br)=C(Br)N1 BBL028841 [0,0,0,0,1,0|2,1,0]=4 41 B8R1.18 ClC1=C(Cl)NC(Br)=N1 BBL028126 [0,0,0,0,1,0|2,1,0]=4 42 B8R1.50 CC1=NNC(C)=C1N BBL005485 [0,0,0,0,1,0|3,0,0]=4 43 B8R1.50 CC1=NOC(C)=C1N BBL038495 [0,0,0,0,1,0|3,0,0]=4 44 B7R1.3 BrC1=CC=CC=N1 BBL027568 [2,0,0,0,0,0|2,0,0]=4 45 B7R1.3 BrC1=CC=NC=C1 BBL009972 [2,0,0,0,0,0|2,0,0]=4 46 B7R1.3 BrC1=CN=CC=C1 BBL027581 [2,0,0,0,0,0|1,1,0]=4 47 B7R1.3 CC1=CC=NC=C1 BBL011459 [2,0,0,0,0,0|2,0,0]=4 48 B7R1.3 ClC1=NC=CC=C1 BBL027569 [2,0,0,0,0,0|2,0,0]=4 49 B7R1.3 FC1=CC=CC=N1 BBL010032 [2,0,0,0,0,0|2,0,0]=4 50 B7R1.3 IC1=CC=NC=C1 BBL009973 [2,0,0,0,0,0|2,0,0]=4 51 B7R1.3 NC1=CC=CC=N1 BBL011573 [2,0,0,0,0,0|1,0,1]=4 52 B7R1.3 OC1=CC=NC=C1 BBL022970 [2,0,0,0,0,0|2,0,0]=4 53 B7R1.3 OC1=CN=CC=C1 BBL010946 [2,0,0,0,0,0|2,0,0]=4 54 B7R1.3 OC1=NC=CC=C1 BBL027571 [2,0,0,0,0,0|1,0,1]=4 55 B7R1.3 SC1=NC=CC=N1 BBL025630 [2,0,0,0,0,0|0,1,1]=4 56 B9R1.2 NNC1=NC(Cl)=NC=C1 BBL104190 [1,1,0,0,0,0|1,0,1]=4 57 B9R1.34 CC1=CC(=O)NC(N)=N1 BBL005428 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.34 CC1=NC(N)=CC(=O)N1 BBL012601 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.34 NC1=CC(=O)NC(=O)N1 BBL028134 [1,1,0,0,0,0|0,0,1]=3 60 B9R1.34 NC1=CC(=O)NC(N)=N1 BBL003829 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.34 NC1=CC(N)=NC(=O)N1 BBL036561 [1,1,0,0,0,0|0,0,0]=2 62 B9R1.34 NC1=CC(O)=NC(N)=N1 BBL007935 [1,1,0,0,0,0|1,0,1]=4 63 B9R1.34 NC1=NC(Cl)=NC(Cl)=C1 BBL034697 [1,1,0,0,0,0|1,0,1]=4 64 B9R1.34 NC1=NC(S)=NC(O)=C1 BBL011652 [1,1,0,0,0,0|0,1,1]=4 65 B9R1.15 NNC1=C(F)C=CC=C1 BBL027973 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.37 CN1C(=O)C=C(N)C1=O BBL032267 [0,1,0,0,1,0|2,0,0]=4 67 B11R1.21 NC(=O)C1=CC(N)=C(F)C=C1 BBL031409 [0,2,0,0,0,0|2,0,0]=4 68 B11R1.21 NC1=CC(C(=O)O)=CC=C1F BBL028248 [0,2,0,0,0,0|2,0,0]=4 69 B7R1.2 CC1=CNC(C)=N1 BBL027875 [1,0,0,0,1,0|2,0,0]=4 70 B7R1.4 CC1=NNC=C1N BBL030292 [1,0,0,0,1,0|2,0,0]=4