0 B10R1.172 CNC1=NC(OC)=CC=C1 BCP20247 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.172 COC1=CC(CCl)=CC=C1 BCP18627 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.172 COC1=CC(SC)=CC=C1 BCP17523 [0,0,0,0,0,0|0,1,0]=1 3 B10R1.172 COC1=CC=NC(OC)=C1 BCP10991 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.172 COC1=NC=CC(=N1)C=O BCP10050 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.172 NCC1=CC=CC(OC)=C1 BCP11237 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.172 O=CC1=CC=CC(CC)=C1 BCP06175 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.2 C1=CN=C(C=C1NN)O BCP14942 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.2 CC1=CN=CC(CCl)=C1 BCP15251 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.2 CC1=NC=CC(=C1)C#N BCP19217 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.2 CCC1=CC(N)=NC=C1 BCP14171 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.2 CNC1=CC=CC(Cl)=N1 BCP10999 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.2 COC1=CC=NC(Cl)=C1 BCP09377 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.2 COC1=NC=CC(I)=C1 BCP10195 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.2 COC1=NC=CC(N)=C1 BCP05654 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.2 NC1=CC=CC(C#C)=C1 BCP09426 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.2 NC1=NC(=CN=C1)OC BCP09100 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.2 O=C1C=C(OC)C=NN1 BCP20543 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.2 OC1=CC=CC(C#C)=C1 BCP07104 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.2 OCC1=CC(C)=CN=C1 BCP16511 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.9 COC1=NC(Cl)=NC(OC)=N1 BCP00161 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.266 COc1cccc(c1)B(O)O BCP03523 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.266 N[C@@H](C1=CC=CC(C#N)=C1)C BCP09412 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.266 N[C](C1=CC=CC(C#N)=C1)C BCP09411 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.280 FC1=CC=C(C=O)C=C1OC BCP09723 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.280 OC1=C(OC)C=C(CC)C=C1 BCP19091 [0,1,0,0,0,0|1,0,0]=2 26 B11R2.190 C=CC1=CC=C2CCC2=C1 BCP20396 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [2,0,0,0,0,0|1,1,0]=4 28 B8R1.4 BrC1=CC=NC(O)=C1 BCP01174 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.4 C1=C(C=NC=C1Cl)O BCP10855 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.4 CC1=CC=CC(N)=C1 BCP15285 [2,0,0,0,0,0|1,0,0]=3 31 B8R1.4 Cc1ccnc(c1)N BCP05096 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.4 NC1=CC(F)=CC=C1 BCP13758 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.4 OC1=NC=NC(O)=C1 BCP00979 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.4 SC1=CC=CC(N)=C1 BCP18600 [2,0,0,0,0,0|1,1,0]=4 35 B10R1.2 OC1=C(OC)C=CC=C1Br BCP04858 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.8 COC1=CC(Br)=NC(Br)=C1 BCP10088 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.8 NC1=CC(OC)=CC(Br)=C1 BCP20491 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.8 OCC1=CC(O)=CC(O)=C1 BCP18630 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.30 BrC1=CC=C(N)C=C1OC BCP05908 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.30 COC1=CC(Br)=CN=C1N BCP10187 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.30 ClC=1C=CC(=CC1OC)N BCP15300 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.30 FC=1C=CC(=CC1OC)O BCP10034 [1,1,0,0,0,0|0,0,0]=2 43 B10R1.30 NC1=CC=C(F)C=C1OC BCP11916 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.30 OC=1C=CC(=CC1OC)C BCP19090 [1,1,0,0,0,0|0,0,0]=2 45 B10R1.30 OC=1C=CC(=NC1CC)C BCP13392 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.30 OC=1C=CC(=NC1CC)C BCP13396 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.30 OC=1C=CC(=NC1CC)C BCP13397 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.113 CC(C1=CC(C)=NC=C1)=O BCP19218 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.113 N[C@@H](C)C1=CC(Br)=CC=C1 BCP09419 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.113 N[C@@H](C)C1=CC(F)=CC=C1 BCP09418 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.113 N[C](C)C1=CC(F)=CC=C1 BCP09417 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.113 O=C(C)C1=NC(C)=CC=C1 BCP06451 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.113 Oc1cccc(c1)B(O)O BCP03518 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.176 CC1=C(C)C=C(CN)C=C1 BCP18640 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.176 COC1=CC(N)=C(C)C=C1 BCP05922 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.176 COC1=CC=C(Cl)C(O)=C1 BCP11272 [1,1,0,0,0,0|0,0,0]=2 57 B10R1.176 NC1=CC=C(N=C1C)OC BCP07731 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.176 O=CC1=CC(O)=C(O)C=C1 BCP00880 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.11 BrC1=CC([N+]([O-])=O)=CC(OC)=C1 BCP20490 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.58 C#CC1=CC(OC)=CC(OC)=C1 BCP10916 [0,2,0,0,0,0|0,0,0]=2 61 B12R1.58 COC1=CC(OC)=CC(CO)=C1 BCP18629 [0,2,0,0,0,0|0,0,0]=2 62 B12R1.58 N#CC1=CC(OC)=CC(OC)=C1 BCP11277 [0,2,0,0,0,0|0,0,0]=2 63 B12R1.300 O=CC1=CC(OC)=C(O)C(O)=C1 BCP09236 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.435 COC(C1=CC(CBr)=CC=C1)=O BCP05944 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.435 O=C(C1=NC=CC(OC)=C1)OC BCP09360 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.435 O=C(OC)C1=CC=CC(C=O)=C1 BCP16016 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.56 NC1=CC=C(C(O)=O)C=C1OC BCP01505 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.56 O=[N+](C1=CC=C(F)C(OC)=C1)[O-] BCP05879 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.56 OC1=C(OC)C=C([N+]([O-])=O)C=C1 BCP17330 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.440 COC1=CC=CC([N+]([O-])=O)=C1C BCP14658 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.440 NC1=C(OC)C=CC=C1C(O)=O BCP06185 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.440 O=C(O)C1=CC=CC(OC)=C1C BCP19993 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.453 COc1ccc(c(c1)C(=O)N)N BCP12915 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.453 FC1=C(B(O)O)C=C(OC)C=C1 BCP15315 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.453 O=C(O)C1=CC(OC)=CC=C1N BCP10331 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.1879 COC1=C(C=O)C=CC=C1OC BCP10425 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.1879 O=CC1=C(OC)C=CC=C1OC BCP18413 [0,2,0,0,0,0|0,0,0]=2 78 B12R1.78 NCC1=CC=C(OC)C(OC)=C1 BCP18641 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.78 O=CC1=C(OC)C=CC(OC)=C1 BCP05725 [0,2,0,0,0,0|2,0,0]=4 80 B10R2.7 C12=CSC=C1OCCO2 BCP18919 [0,0,0,1,1,0|1,0,0]=3 81 B12R2.44 NCC1=CC=C2OCOC2=C1 BCP20906 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.11 CC1=C(SC)C=CO1 BCP11303 [1,0,0,0,1,0|1,1,0]=4 83 B10R1.3 NCC1=CC=C(OC)C=C1 BCP11229 [0,0,0,0,1,1|2,0,0]=4