0 B10R1.20 CCC1=C(C=O)C=CC=C1 BCP06174 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.20 COC1=C(CN)C=CC=C1 BCP11246 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.20 N#CC1=C(CBr)C=CC=C1 BCP08886 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.20 OCC1=CC=CN=C1NC BCP15519 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.15 C1=CC=NC(=C1C)C#N BCP16112 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.15 CC1=CC=CC=C1CN BCP14971 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.15 CNC1=CC=CC=C1N BCP19652 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.15 ClC1=C(C=O)C=CC=N1 BCP08292 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.15 IC1=C(C=O)C=CC=C1 BCP07495 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.15 NC1=C(C=O)C=CC=C1 BCP07330 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.15 NC1=NC=CC=C1CC BCP11445 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.15 NC1=NC=CC=C1OC BCP12904 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.15 OC1=CC=CN=C1CO BCP11425 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.15 OCC1=NC=CC=C1O BCP14980 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.37 COC1=C(C#N)C=NC(=C1)Cl BCP08269 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.37 COC1=C(C=CC(=N1)Cl)C=O BCP18468 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.37 COC1=CC=C(Cl)C=C1C=O BCP06178 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.37 N#CC1=CC=C(N)C=C1OC BCP11251 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.37 O=CC1=C(OC)C=C(O)C=C1 BCP10291 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.53 COC1=C(B(O)O)C=CC=N1 BCP12132 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.53 O=C(O)C1=CC=CC=C1CBr BCP10958 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.53 O=CC1=CC=CC=C1C(C)C BCP04819 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.265 COC=1C=CNC(C1C#N)=O BCP04139 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.265 N#CC1=C(Cl)N=CC=C1OC BCP14253 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.265 O=CC1=C(OC)N=CC=C1I BCP14420 [0,1,0,0,0,0|2,0,0]=3 25 B11R2.1 BrC1=N[NH]C2=CC=CC=C12 BCP17108 [0,0,0,1,0,0|3,0,0]=4 26 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C BCP00912 [0,0,0,1,0,0|2,0,0]=3 27 B11R2.1 CN1C2=C(N=N1)C=CC=C2 BCP20547 [0,0,0,1,0,0|3,0,0]=4 28 B11R2.1 NC1CCC2=C1C=CC=C2 BCP04726 [0,0,0,1,0,0|2,0,1]=4 29 B11R2.1 N[C@@H]1C2=C(CC1)C=CC=C2 BCP15509 [0,0,0,1,0,0|2,0,1]=4 30 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 BCP14221 [0,0,0,1,0,0|2,0,1]=4 31 B11R2.1 N[C]1CCC2=CC=CC=C21 BCP15726 [0,0,0,1,0,0|2,0,1]=4 32 B11R2.1 O=C1C2=C(CC1)C=CC=C2 BCP19847 [0,0,0,1,0,0|2,0,0]=3 33 B11R2.1 O=C1COc2c1cccc2 BCP07835 [0,0,0,1,0,0|1,0,0]=2 34 B11R2.20 C12=CC=NC=C1C=CC=C2 BCP23537 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.2 C=CC1=CC=CN=C1 BCP12214 [2,0,0,0,0,0|1,0,0]=3 36 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [2,0,0,0,0,0|1,1,0]=4 37 B8R1.5 Brc1cccnc1O BCP11402 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.5 CC1=C(N)C=CC=C1 BCP17522 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.5 CC1=NC=CC=C1F BCP04309 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.5 ClC1=C(Cl)C=CC=C1 BCP08071 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.5 IC1=C(I)C=CC=C1 BCP05858 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.5 OC1=CC=CC=[N+]1[O-] BCP13006 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.5 SC1=CC=CC=C1Br BCP09623 [2,0,0,0,0,0|1,1,0]=4 44 B10R1.2 OC1=C(OC)C=CC=C1Br BCP04858 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.4 C[N+]1=CC=CC=C1\C=N\O BCP20507 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.25 CC1=CC(F)=CC=C1C#N BCP13430 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.25 CC1=CC(O)=CC=C1C=O BCP10259 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.25 NC1=CC(F)=CC=C1OC BCP05920 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.25 NC1=CC=C(OC)C(F)=C1 BCP05898 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.25 O=CC1=CC=C(Br)C=C1O BCP00254 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.25 O=CC1=CC=C(O)C=C1Cl BCP16836 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.25 OC1=CC(Br)=CC=C1OC BCP13373 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.30 BrC1=CC=C(Cl)C=C1C=O BCP05871 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.30 BrC1=CC=C(F)C=C1C=O BCP14475 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.30 BrC1=CC=C(N)C=C1OC BCP05908 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.30 C1=C(C(=CC=C1F)O)C=O BCP18438 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.30 COC1=CC(Br)=CN=C1N BCP10187 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.30 ClC=1C=CC(=CC1OC)N BCP15300 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.30 FC=1C=CC(=CC1OC)O BCP10034 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.30 NC1=CC=C(F)C=C1OC BCP11916 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.30 OC=1C=CC(=CC1OC)C BCP19090 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.61 CC(C1=C(O)C=NC=C1)=O BCP28934 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.61 CN(C)C1=CC=CC=C1Br BCP05527 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.61 C[C](N)C1=CC=CC=C1Br BCP20468 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.61 FC1=C([C@@H](O)C)C=CC=C1 BCP12488 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.61 OC(=O)c1ccncc1C BCP06101 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.61 OC1=C(C(O)=O)C=CC=C1 BCP09067 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.245 FC1=CC=CC(Br)=C1C=O BCP13083 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.245 O=C1C(OC)=C(C)NC=C1 BCP16936 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.245 O=CC1=C(Cl)C=CC=C1N BCP20567 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.245 O=CC=1C(O)=CC=CC1O BCP16333 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.46 OB(O)C1=C(OC)C=CC(O)=C1 BCP06898 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.57 COC1=CC(F)=CC=C1[N+]([O-])=O BCP18514 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.78 NCC1=CC=C(OC)C(OC)=C1 BCP18641 [0,2,0,0,0,0|1,0,1]=4 75 B12R1.78 O=CC1=C(OC)C=CC(OC)=C1 BCP05725 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.121 COC1=C(OCCN)C=CC=C1 BCP12481 [0,2,0,0,0,0|0,0,2]=4 77 B12R1.1112 O=CC1=CC=CC(O)=C1CC=C BCP24264 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.261 CC(C)C1=C(C(O)=O)C=CC=C1 BCP04820 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.1879 COC1=C(C=O)C=CC=C1OC BCP10425 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.1879 O=CC1=C(OC)C=CC=C1OC BCP18413 [0,2,0,0,0,0|1,0,0]=3 81 B10R1.172 COC1=CC(CCl)=CC=C1 BCP18627 [0,0,1,1,0,0|1,0,1]=4 82 B10R1.172 COC1=CC(SC)=CC=C1 BCP17523 [0,0,1,1,0,0|1,0,1]=4 83 B10R1.172 NCC1=CC=CC(OC)=C1 BCP11237 [0,0,1,1,0,0|1,0,1]=4 84 B10R1.172 O=CC1=CC=CC(CC)=C1 BCP06175 [0,0,1,1,0,0|2,0,0]=4 85 B10R1.176 COC1=CC(N)=C(C)C=C1 BCP05922 [0,0,1,1,0,0|1,0,1]=4 86 B10R1.176 COC1=CC=C(Cl)C(O)=C1 BCP11272 [0,0,1,1,0,0|2,0,0]=4 87 B10R2.7 C12=C(CNC1)C=CC=C2 BCP01139 [1,0,0,1,0,0|1,0,1]=4 88 B10R2.7 C12=C(CNC1)C=CC=C2 BCP15681 [1,0,0,1,0,0|1,0,1]=4 89 B10R2.7 C12=C(NC=C1)C=CC=C2 BCP29310 [1,0,0,1,0,0|1,0,0]=3 90 B10R2.7 C=12C=CC=CC1OBO2 BCP15959 [1,0,0,1,0,0|2,0,0]=4 91 B10R2.7 C=12C=CC=CC1OCO2 BCP11873 [1,0,0,1,0,0|1,0,0]=3 92 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 BCP08383 [0,1,0,1,0,0|1,0,1]=4 93 B12R2.24 BrC1=CC=C2OCCNC2=C1 BCP10058 [0,1,0,1,0,0|1,0,1]=4 94 B12R2.24 CC1COC2=C(C=CC=C2)N1 BCP14442 [0,1,0,1,0,0|0,0,2]=4 95 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 BCP20124 [0,1,0,1,0,0|1,0,1]=4 96 B12R2.24 FC1=CC=C2C=NC=CC2=C1 BCP02781 [0,1,0,1,0,0|2,0,0]=4 97 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 BCP13447 [0,1,0,1,0,0|1,0,1]=4 98 B12R2.24 OC1=CC2=C(C=C1)OCCO2 BCP02986 [0,1,0,1,0,0|1,0,1]=4 99 B12R2.24 OC1=CC2=CC=CC=C2N=C1 BCP20129 [0,1,0,1,0,0|1,0,1]=4 100 B12R2.132 CN1C=CC2=NC=C(Br)C=C21 BCP12212 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.132 CN1N=CC2=C1C=C(Br)C=C2 BCP00036 [0,1,0,1,0,0|2,0,0]=4 102 B12R2.132 O=C1C2=C(CC1)C=CC(F)=C2 BCP04453 [0,1,0,1,0,0|2,0,0]=4 103 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 BCP16277 [0,1,0,1,0,0|2,0,0]=4 104 B12R2.612 BrC1=CC=C2C(ON=C2N)=C1 BCP07722 [0,1,0,1,0,0|2,0,0]=4 105 B12R2.612 Cc1ccc2c(c1)CCC2=O BCP09170 [0,1,0,1,0,0|2,0,0]=4 106 B12R2.612 O=C1C2=CC=C(Br)C=C2CC1 BCP04452 [0,1,0,1,0,0|2,0,0]=4 107 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 BCP11607 [0,1,0,1,0,0|1,0,0]=3 108 B12R2.1 O=CC1=CNC2=C1C=CC=C2 BCP00081 [0,1,0,1,0,0|1,0,1]=4 109 B12R2.1 O=CC1=COC2=CC=CC=C21 BCP07719 [0,1,0,1,0,0|0,0,1]=3 110 B12R2.1 OCC1=CNC2=C1C=CC=C2 BCP00087 [0,1,0,1,0,0|2,0,0]=4 111 B12R2.1081 ClC1=CC=CC2=CC=CN=C21 BCP19319 [0,1,0,1,0,0|1,0,1]=4 112 B12R2.1081 ClC1=NC=CC2=C1C=CC=C2 BCP08062 [0,1,0,1,0,0|2,0,0]=4 113 B12R2.1081 FC1=C2C(C=CC=C2)=CC=C1 BCP11223 [0,1,0,1,0,0|1,0,1]=4 114 B12R2.1081 FC1=CC=CC2=CC=CN=C21 BCP19389 [0,1,0,1,0,0|1,0,1]=4 115 B12R2.1081 IC1=CN=CC2=CC=CC=C12 BCP20025 [0,1,0,1,0,0|2,0,0]=4 116 B12R2.1081 NC1=C2OCCOC2=CC=C1 BCP11255 [0,1,0,1,0,0|1,0,1]=4 117 B12R2.1081 Nc1nccc2ccccc12 BCP05774 [0,1,0,1,0,0|2,0,0]=4 118 B12R2.1081 O=C1CCNC2=C1C=CC=C2 BCP10083 [0,1,0,1,0,0|1,0,1]=4 119 B12R2.1081 O=C1CCOC2=C1C=CC=C2 BCP06538 [0,1,0,1,0,0|0,0,1]=3 120 B12R2.196 NC1=NOC2=C(Br)C=CC=C12 BCP17590 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.203 CN1N=CC2=C1C(Br)=CC=C2 BCP00005 [0,1,0,1,0,0|2,0,0]=4