0 B10R1.20 CCC1=C(C=O)C=CC=C1 BCP06174 [0,0,0,0,0,0|1,0,0]=1 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|2,0,2]=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|2,0,0]=3 8 B9R1.15 IC1=C(C=O)C=CC=C1 BCP07495 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.15 NC1=C(C=O)C=CC=C1 BCP07330 [1,0,0,0,0,0|1,0,0]=2 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|1,0,2]=4 13 B9R1.15 OCC1=NC=CC=C1O BCP14980 [1,0,0,0,0,0|1,0,2]=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|1,0,0]=2 16 B11R1.37 COC1=CC=C(Cl)C=C1C=O BCP06178 [0,1,0,0,0,0|0,0,0]=1 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|0,0,0]=1 19 B11R1.53 CNC1=C([N+]([O-])=O)C=CC=N1 BCP12468 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.53 COC1=C(B(O)O)C=CC=N1 BCP12132 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.53 O=C(O)C1=CC=CC=C1CBr BCP10958 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.53 O=CC1=CC=CC=C1C(C)C BCP04819 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.265 COC=1C=CNC(C1C#N)=O BCP04139 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.265 N#CC1=C(Cl)N=CC=C1OC BCP14253 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.265 O=CC1=C(OC)N=CC=C1I BCP14420 [0,1,0,0,0,0|1,0,0]=2 26 B11R2.1 BrC1=N[NH]C2=CC=CC=C12 BCP17108 [0,0,0,1,0,0|3,0,0]=4 27 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C BCP00912 [0,0,0,1,0,0|2,0,1]=4 28 B11R2.1 CN1C2=C(N=N1)C=CC=C2 BCP20547 [0,0,0,1,0,0|3,0,0]=4 29 B11R2.1 NC1CCC2=C1C=CC=C2 BCP04726 [0,0,0,1,0,0|2,0,1]=4 30 B11R2.1 N[C@@H]1C2=C(CC1)C=CC=C2 BCP15509 [0,0,0,1,0,0|2,0,1]=4 31 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 BCP14221 [0,0,0,1,0,0|2,0,1]=4 32 B11R2.1 N[C]1CCC2=CC=CC=C21 BCP15726 [0,0,0,1,0,0|2,0,1]=4 33 B11R2.1 O=C1C2=C(CC1)C=CC=C2 BCP19847 [0,0,0,1,0,0|1,0,0]=2 34 B11R2.1 O=C1COc2c1cccc2 BCP07835 [0,0,0,1,0,0|0,0,0]=1 35 B11R2.1 O=C1N2C=CC=CC2=NN1 BCP03573 [0,0,0,1,0,0|3,0,0]=4 36 B11R2.1 O=C1OCC2=NC=CC=C21 BCP00602 [0,0,0,1,0,0|3,0,0]=4 37 B11R2.20 C12=CC=NC=C1C=CC=C2 BCP23537 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.2 C=CC1=CC=CN=C1 BCP12214 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [2,0,0,0,0,0|1,1,0]=4 40 B8R1.5 Brc1cccnc1O BCP11402 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.5 CC1=C(N)C=CC=C1 BCP17522 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.5 CC1=NC=CC=C1F BCP04309 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.5 ClC1=C(Cl)C=CC=C1 BCP08071 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.5 IC1=C(I)C=CC=C1 BCP05858 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.5 OC1=CC=CC=[N+]1[O-] BCP13006 [2,0,0,0,0,0|1,0,1]=4 46 B8R1.5 SC1=CC=CC=C1Br BCP09623 [2,0,0,0,0,0|1,1,0]=4 47 B10R1.2 OC1=C(OC)C=CC=C1Br BCP04858 [1,1,0,0,0,0|0,0,1]=3 48 B10R1.4 C[N+]1=CC=CC=C1\C=N\O BCP20507 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.25 CC1=CC(F)=CC=C1C#N BCP13430 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.25 CC1=CC(O)=CC=C1C=O BCP10259 [1,1,0,0,0,0|0,0,0]=2 51 B10R1.25 NC1=CC(F)=CC=C1OC BCP05920 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.25 NC1=CC=C(OC)C(F)=C1 BCP05898 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.25 O=C1C(OC)=CNC(N1)=O BCP13246 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.25 O=CC1=CC=C(Br)C=C1O BCP00254 [1,1,0,0,0,0|0,0,0]=2 55 B10R1.25 O=CC1=CC=C(O)C=C1Cl BCP16836 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.25 OC1=CC(Br)=CC=C1OC BCP13373 [1,1,0,0,0,0|0,0,1]=3 57 B10R1.30 BrC1=CC=C(Cl)C=C1C=O BCP05871 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.30 BrC1=CC=C(F)C=C1C=O BCP14475 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.30 BrC1=CC=C(N)C=C1OC BCP05908 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.30 C1=C(C(=CC=C1F)O)C=O BCP18438 [1,1,0,0,0,0|0,0,0]=2 61 B10R1.30 COC1=CC(Br)=CN=C1N BCP10187 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.30 ClC=1C=CC(=CC1OC)N BCP15300 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.30 FC=1C=CC(=CC1OC)O BCP10034 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.30 NC1=CC=C(F)C=C1OC BCP11916 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.30 O=CC1=CC(Cl)=NC=C1Br BCP06090 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.30 OC=1C=CC(=CC1OC)C BCP19090 [1,1,0,0,0,0|0,0,1]=3 67 B10R1.61 CC(=O)c1cccnc1Cl BCP10419 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.61 CC(C1=C(O)C=NC=C1)=O BCP28934 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.61 CN(C)C1=CC=CC=C1Br BCP05527 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.61 C[C](N)C1=CC=CC=C1Br BCP20468 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.61 ClC1=C(C(N)=O)C=NC=C1 BCP06914 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.61 FC1=C([C@@H](O)C)C=CC=C1 BCP12488 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.61 NC1=C([N+]([O-])=O)C=CC=C1 BCP05324 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.61 O=C(C1=C(N)C=NC=C1)O BCP09357 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.61 O=C(O)C1=C(C)N=CN=C1 BCP06023 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.61 O=C(O)C=1C=NC=CC1Br BCP05403 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.61 O=C1C(C(C)=O)=CC=CN1 BCP28633 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.61 O=[N+](C1=CC=CN=C1C)[O-] BCP12892 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.61 OC(=O)c1ccncc1C BCP06101 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.61 OC1=C(C(N)=O)N=CC=N1 BCP03021 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.61 OC1=C(C(O)=O)C=CC=C1 BCP09067 [1,1,0,0,0,0|0,0,0]=2 82 B10R1.245 FC1=CC=CC(Br)=C1C=O BCP13083 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.245 IC1=C(C=O)C(Cl)=NC=C1 BCP12502 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.245 O=C1C(OC)=C(C)NC=C1 BCP16936 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.245 O=CC1=C(Cl)C=CC=C1N BCP20567 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.245 O=CC1=C(Cl)C=CN=C1Cl BCP18677 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.245 O=CC=1C(O)=CC=CC1O BCP16333 [1,1,0,0,0,0|0,0,0]=2 88 B12R1.46 O=CC1=CC=C(Cl)C=C1[N+]([O-])=O BCP04240 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.46 OB(O)C1=C(OC)C=CC(O)=C1 BCP06898 [0,2,0,0,0,0|1,0,1]=4 90 B12R1.57 COC1=CC(F)=CC=C1[N+]([O-])=O BCP18514 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.57 O=Cc1cc(F)ccc1B(O)O BCP14487 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.57 O=[N+]([O-])C1=CN=C(Cl)C=C1OC BCP14720 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.78 NCC1=CC=C(OC)C(OC)=C1 BCP18641 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.78 O=CC1=C(OC)C=CC(OC)=C1 BCP05725 [0,2,0,0,0,0|0,0,0]=2 95 B12R1.121 COC1=C(OCCN)C=CC=C1 BCP12481 [0,2,0,0,0,0|1,0,1]=4 96 B12R1.1112 O=CC1=CC=CC(O)=C1CC=C BCP24264 [0,2,0,0,0,0|1,0,1]=4 97 B12R1.87 [O-][N+](C1=C(C=O)C(Br)=CC=C1)=O BCP05759 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.261 CC(C)C1=C(C(O)=O)C=CC=C1 BCP04820 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.261 C[C@@H](N)C1=CC=CC=C1[N+]([O-])=O BCP20467 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.261 O=C(O)C1=CC=CC=C1C(O)=O BCP15370 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.261 OC(=O)c1ccccc1B(O)O BCP03519 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.261 OC(C1=C(I(=O)=O)C=CC=C1)=O BCP12484 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.437 O=CC1=CC=CC(Br)=C1[N+]([O-])=O BCP15849 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.1879 COC1=C(C=O)C=CC=C1OC BCP10425 [0,2,0,0,0,0|0,0,0]=2 105 B12R1.1879 O=CC1=C(OC)C=CC=C1OC BCP18413 [0,2,0,0,0,0|0,0,0]=2 106 B10R1.176 COC1=CC(N)=C(C)C=C1 BCP05922 [0,0,1,1,0,0|1,0,1]=4 107 B10R1.176 COC1=CC=C(Cl)C(O)=C1 BCP11272 [0,0,1,1,0,0|1,0,1]=4 108 B10R2.7 C12=C(CNC1)C=CC=C2 BCP01139 [1,0,0,1,0,0|1,0,1]=4 109 B10R2.7 C12=C(CNC1)C=CC=C2 BCP15681 [1,0,0,1,0,0|1,0,1]=4 110 B10R2.7 C12=C(NC=C1)C=CC=C2 BCP29310 [1,0,0,1,0,0|1,0,1]=4 111 B10R2.7 C=12C=CC=CC1OBO2 BCP15959 [1,0,0,1,0,0|1,0,1]=4 112 B10R2.7 C=12C=CC=CC1OCO2 BCP11873 [1,0,0,1,0,0|0,0,1]=3 113 B12R2.24 BrC1=CC=C2OCCNC2=C1 BCP10058 [0,1,0,1,0,0|2,0,0]=4 114 B12R2.24 CC1COC2=C(C=CC=C2)N1 BCP14442 [0,1,0,1,0,0|1,0,1]=4 115 B12R2.24 OC1=CC2=C(C=C1)OCCO2 BCP02986 [0,1,0,1,0,0|2,0,0]=4 116 B12R2.132 Brc1ccc2c(c1)C(=O)OC2 BCP20630 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.132 CN1N=CC2=C1C=C(Br)C=C2 BCP00036 [0,1,0,1,0,0|2,0,0]=4 118 B12R2.132 O=C1C2=C(CC1)C=CC(F)=C2 BCP04453 [0,1,0,1,0,0|1,0,0]=3 119 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 BCP16277 [0,1,0,1,0,0|1,0,0]=3 120 B12R2.612 BrC1=CC=C2C(ON=C2N)=C1 BCP07722 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.612 Cc1ccc2c(c1)CCC2=O BCP09170 [0,1,0,1,0,0|1,0,0]=3 122 B12R2.612 O=C1C2=CC=C(Br)C=C2CC1 BCP04452 [0,1,0,1,0,0|1,0,0]=3 123 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 BCP11607 [0,1,0,1,0,0|0,0,0]=2 124 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 BCP07412 [0,1,0,1,0,0|2,0,0]=4 125 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 BCP15704 [0,1,0,1,0,0|2,0,0]=4 126 B12R2.1 O=CC1=CNC2=C1C=CC=C2 BCP00081 [0,1,0,1,0,0|1,0,1]=4 127 B12R2.1 O=CC1=COC2=CC=CC=C21 BCP07719 [0,1,0,1,0,0|0,0,1]=3 128 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O BCP15996 [0,1,0,1,0,0|1,0,1]=4 129 B12R2.1081 NC1=C2OCCOC2=CC=C1 BCP11255 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.1081 O=C1C=2C=NC=CC2CCC1 BCP12803 [0,1,0,1,0,0|2,0,0]=4 131 B12R2.1081 O=C1CCCC2=C1C=NC=C2 BCP08935 [0,1,0,1,0,0|2,0,0]=4 132 B12R2.1081 O=C1CCNC2=C1C=CC=C2 BCP10083 [0,1,0,1,0,0|1,0,0]=3 133 B12R2.1081 O=C1CCOC2=C1C=CC=C2 BCP06538 [0,1,0,1,0,0|0,0,0]=2 134 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 BCP00749 [0,1,0,1,0,0|1,0,1]=4 135 B12R2.196 NC1=NOC2=C(Br)C=CC=C12 BCP17590 [0,1,0,1,0,0|2,0,0]=4 136 B12R2.203 CN1N=CC2=C1C(Br)=CC=C2 BCP00005 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.11 CN1C(C=O)=CC=N1 BCP03858 [1,0,0,0,1,0|2,0,0]=4