0 B9R1.2 C1=CN=C(C=C1NN)O BCP14942 [1,0,0,0,0,0|2,0,0]=3 1 B9R1.2 CC1=CN=CC(CCl)=C1 BCP15251 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.2 CCC1=CC(N)=NC=C1 BCP14171 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.2 CNC1=CC=CC(Cl)=N1 BCP10999 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.2 COC1=CC=NC(Cl)=C1 BCP09377 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.2 COC1=NC=CC(I)=C1 BCP10195 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.2 COC1=NC=CC(N)=C1 BCP05654 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.2 ClC1=NC=CC(CN)=C1 BCP01584 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.2 ClC1=NC=CC(CN)=C1 BCP17040 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.2 FC1=CC=CC(CBr)=N1 BCP17087 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.2 NC1=CC=CC(C#C)=C1 BCP09426 [1,0,0,0,0,0|1,0,2]=4 11 B9R1.2 NNC1=CC(Cl)=NC=C1 BCP20706 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.2 OC1=CC=CC(C#C)=C1 BCP07104 [1,0,0,0,0,0|0,0,2]=3 13 B9R1.2 OCC1=CC(C)=CN=C1 BCP16511 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.8 BrCCC1=CC=CN=C1 BCP07727 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.8 ONCC1=CC=CC=C1 BCP07876 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.23 ClC1=CC([C@@H](CN)O)=CC=C1 BCP14172 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.23 ClC1=CC([C](CCl)O)=CC=C1 BCP12178 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.23 ClC1=CC([C](CO)N)=CC=C1 BCP15021 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.23 N[C@@H](CC)C1=CC=CC(Cl)=C1 BCP15556 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.23 OC(CN)C1=CC=CC(O)=C1 BCP07813 [0,1,0,0,0,0|0,0,0]=1 21 B11R1.192 NCCC1=CC(O)=C(C=C1)O BCP06611 [0,1,0,0,0,0|0,0,0]=1 22 B11R2.36 BrC1=CC=C2NN=CC2=C1 BCP00022 [0,0,0,1,0,0|2,0,1]=4 23 B11R2.36 Brc1ccc2c(c1)CCO2 BCP08601 [0,0,0,1,0,0|2,0,0]=3 24 B11R2.36 ClC1=CC2=C(C=C1)NN=C2 BCP00023 [0,0,0,1,0,0|2,0,1]=4 25 B11R2.36 FC1=CC2=C(C=C1)NN=C2 BCP00024 [0,0,0,1,0,0|2,0,1]=4 26 B11R2.36 FC1=CC2=C(NC=C2)C=C1 BCP09868 [0,0,0,1,0,0|1,0,2]=4 27 B11R2.36 NC1=CC2=C(C=C1)NC=N2 BCP11467 [0,0,0,1,0,0|2,0,1]=4 28 B11R2.36 NC1=CC2=C(NN=C2)C=C1 BCP00021 [0,0,0,1,0,0|2,0,1]=4 29 B11R2.36 NC1=CC=C2OCCC2=C1 BCP19517 [0,0,0,1,0,0|2,0,0]=3 30 B11R2.36 OC1=CC2=C(C=C1)OCO2 BCP14043 [0,0,0,1,0,0|2,0,0]=3 31 B11R2.36 OC1=CC=C2NN=CC2=C1 BCP11175 [0,0,0,1,0,0|1,0,1]=3 32 B11R2.36 OC1=CN=C2NC=CC2=C1 BCP05680 [0,0,0,1,0,0|1,0,2]=4 33 B11R2.106 BrC1=CC=CC2=C1NCC2 BCP11779 [0,0,0,1,0,0|1,0,0]=2 34 B11R2.106 BrC1=CC=CC2=C1NN=C2 BCP00108 [0,0,0,1,0,0|2,0,1]=4 35 B11R2.106 Brc1cccc2c1OCC2 BCP07134 [0,0,0,1,0,0|2,0,0]=3 36 B11R2.106 Brc1cccc2c1[nH]cc2 BCP00953 [0,0,0,1,0,0|1,0,2]=4 37 B11R2.106 FC1=C2NN=CC2=CC=C1 BCP02784 [0,0,0,1,0,0|2,0,1]=4 38 B11R2.106 NC1=C2OCCC2=CC=C1 BCP14902 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.2 NCC1=CC=CN=C1 BCP13872 [2,0,0,0,0,0|1,0,0]=3 40 B8R1.2 NCC1=NC=CC=N1 BCP00118 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.2 NCC1=NN=CC=C1 BCP04627 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.2 OCC1=CC=CN=C1 BCP20084 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.4 BrC1=CC=NC(O)=C1 BCP01174 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.4 C1=C(C=NC=C1Cl)O BCP10855 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.4 CC1=CC=CC(N)=C1 BCP15285 [2,0,0,0,0,0|1,0,0]=3 47 B8R1.4 Cc1ccnc(c1)N BCP05096 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.4 NC1=CC(F)=CC=C1 BCP13758 [2,0,0,0,0,0|1,0,0]=3 49 B8R1.4 NC1=CN=CC(Cl)=C1 BCP11400 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.4 SC1=CC=CC(N)=C1 BCP18600 [2,0,0,0,0,0|0,1,0]=3 51 B10R1.2 OC1=C(OC)C=CC=C1Br BCP04858 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.8 NC1=CC(OC)=CC(Br)=C1 BCP20491 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.8 OCC1=CC(O)=CC(O)=C1 BCP18630 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.30 BrC1=CC=C(N)C=C1OC BCP05908 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.30 ClC=1C=CC(=CC1OC)N BCP15300 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.30 FC=1C=CC(=CC1OC)O BCP10034 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.30 NC1=CC=C(F)C=C1OC BCP11916 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.30 OC=1C=CC(=CC1OC)C BCP19090 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.30 OC=1C=CC(=NC1CC)C BCP13392 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.30 OC=1C=CC(=NC1CC)C BCP13396 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.30 OC=1C=CC(=NC1CC)C BCP13397 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.113 N=C(C1=CC(Cl)=CC=C1)N BCP17079 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.113 N=C(N)C1=CC=CC(F)=C1 BCP17080 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.113 N[C@@H](C)C1=CC(Br)=CC=C1 BCP09419 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.113 N[C@@H](C)C1=CC(F)=CC=C1 BCP09418 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.113 N[C](C)C1=CC(F)=CC=C1 BCP09417 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.113 Oc1cccc(c1)B(O)O BCP03518 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.172 CNC1=NC(OC)=CC=C1 BCP20247 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.172 COC1=CC(CCl)=CC=C1 BCP18627 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.172 COC1=CC(SC)=CC=C1 BCP17523 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.172 COC1=CC=NC(OC)=C1 BCP10991 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.172 NCC1=CC=CC(OC)=C1 BCP11237 [1,1,0,0,0,0|0,0,0]=2 73 B10R1.172 O=CC1=CC=CC(CC)=C1 BCP06175 [1,1,0,0,0,0|0,0,1]=3 74 B10R1.176 CC1=C(C)C=C(CN)C=C1 BCP18640 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.176 COC1=CC(N)=C(C)C=C1 BCP05922 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.176 COC1=CC=C(Cl)C(O)=C1 BCP11272 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.176 O=CC1=CC(O)=C(O)C=C1 BCP00880 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.1 ClC1=CC=C(CCBr)C=C1 BCP09513 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.1 FC1=CC=C(CCBr)C=C1 BCP15339 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.15 OC(CN)C1=CC=CN=C1 BCP11465 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.17 CNCCC1=CC=CC=N1 BCP13129 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.17 CNCCC1=CC=CC=N1 BCP13779 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.17 CNCCC1=NC=CC=C1 BCP16849 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [1,1,0,0,0,0|0,0,1]=3 85 B12R1.17 OC1=CC(C(CNC)O)=CC=C1 BCP19493 [0,2,0,0,0,0|0,0,0]=2 86 B12R1.17 O[C@@H](CNC)C1=CC(O)=CC=C1 BCP23410 [0,2,0,0,0,0|0,0,0]=2 87 B12R1.225 OC1=CC=CC([C@@H](C)N(C)C)=C1 BCP11200 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.225 OC1=CC=CC([C@@H](N(C)C)C)=C1 BCP05648 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.225 OC1=CC=CC([C@@H](O)[C@@H](N)C)=C1 BCP11059 [0,2,0,0,0,0|0,0,0]=2 90 B12R1.367 OC(CN)C1=CC=C(O)C(O)=C1 BCP13658 [0,2,0,0,0,0|0,0,0]=2 91 B12R1.367 OC1=C(O)C=CC(C(CN)O)=C1 BCP04226 [0,2,0,0,0,0|0,0,0]=2 92 B12R1.367 OC1=C(O)C=CC(C(CN)O)=C1 BCP04227 [0,2,0,0,0,0|0,0,0]=2 93 B12R1.367 OC1=CC=C([C@@H](O)CN)C=C1O BCP13659 [0,2,0,0,0,0|0,0,0]=2 94 B12R1.226 BrC1=CC(CCC(O)=O)=CC=C1 BCP15306 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl BCP04483 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.19 OC1=CC(CC(C)=O)=CC=C1O BCP28119 [0,2,0,0,0,0|1,0,1]=4 97 B12R1.1123 OC1=CC(CCN)=C(O)C=C1O BCP18603 [0,2,0,0,0,0|0,0,0]=2 98 B10R2.6 [C]1(C2=CC=CC=C2)OC1 BCP14534 [1,0,0,1,0,0|1,0,1]=4 99 B10R2.7 C12=C(CNC1)C=CC=C2 BCP01139 [1,0,0,1,0,0|2,0,0]=4 100 B10R2.7 C12=C(CNC1)C=CC=C2 BCP15681 [1,0,0,1,0,0|2,0,0]=4 101 B10R2.7 C12=C(NC=C1)C=CC=C2 BCP29310 [1,0,0,1,0,0|0,0,2]=4 102 B10R2.7 C=12C=CC=CC1OCO2 BCP11873 [1,0,0,1,0,0|2,0,0]=4 103 B10R2.7 c1cnc2c(c1)CCC2 BCP01061 [1,0,0,1,0,0|2,0,0]=4 104 B12R2.202 FC1=CC=CC=2CC(NC21)=O BCP05932 [0,1,0,1,0,0|1,0,1]=4 105 B12R2.1081 NC1=C2OCCOC2=CC=C1 BCP11255 [0,1,0,1,0,0|2,0,0]=4 106 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 BCP10139 [0,1,0,1,0,0|2,0,0]=4 107 B12R2.24 BrC1=CC2=C(CNCC2)C=C1 BCP07129 [0,1,0,1,0,0|1,0,0]=3 108 B12R2.24 BrC1=CC2=C(CNCC2)C=C1 BCP10140 [0,1,0,1,0,0|1,0,0]=3 109 B12R2.24 BrC1=CC=C2OCCNC2=C1 BCP10058 [0,1,0,1,0,0|2,0,0]=4 110 B12R2.24 C1=C2COCCC2=CC(=C1)Br BCP08491 [0,1,0,1,0,0|2,0,0]=4 111 B12R2.24 ClC1=NC2=C(CNCC2)C=C1 BCP19287 [0,1,0,1,0,0|2,0,0]=4 112 B12R2.24 OC1=CC2=C(C=C1)OCCO2 BCP02986 [0,1,0,1,0,0|1,0,0]=3 113 B12R2.24 OC1=CC=2NCCCC2C=C1 BCP13852 [0,1,0,1,0,0|1,0,0]=3 114 B12R2.24 OC1=CC=C2CCCCC2=C1 BCP20248 [0,1,0,1,0,0|1,0,0]=3 115 B12R2.612 Cc1ccc2c(c1)CCC2=O BCP09170 [0,1,0,1,0,0|2,0,0]=4 116 B12R2.612 O=C1C2=CC=C(Br)C=C2CC1 BCP04452 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.606 NC1Cc2c(C1)cc(cc2)Br BCP05915 [0,1,0,1,0,0|1,0,0]=3 118 B12R2.44 O=CC=1C=CC2=C(C1)CCO2 BCP18922 [0,1,0,1,0,0|1,0,1]=4 119 B12R2.44 OCC1=CC=C2OCCC2=C1 BCP14015 [0,1,0,1,0,0|1,0,0]=3 120 B12R2.315 N#CC1=CC=CC2=C1NCC2 BCP06545 [0,1,0,1,0,0|1,0,0]=3 121 B12R2.100 OC1=CC=2C=CNC2C=C1O BCP02562 [0,1,0,1,0,0|0,0,2]=4 122 B8R1.1 NCC1=CC(O)=NO1 BCP02327 [1,0,0,0,1,0|2,0,0]=4 123 B8R1.8 NCCC1=CN=CN1 BCP16313 [1,0,0,0,1,0|2,0,0]=4