0 B10R1.17 CNCCC1=CC=CC=N1 BCP13129 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.17 CNCCC1=CC=CC=N1 BCP13779 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.17 CNCCC1=NC=CC=C1 BCP16849 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.8 BrCCC1=CC=CN=C1 BCP07727 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 ONCC1=CC=CC=C1 BCP07876 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.1 ClC1=CC=C(OCCO)C=C1 BCP11228 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.1 OC1=CC=C(CCNC)C=C1 BCP10171 [0,1,0,0,0,0|0,0,0]=1 7 B11R1.16 C[C@@H](N=C=O)C1=CC=CC=C1 BCP08224 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.16 ClCC[C](c1ccccc1)O BCP12491 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.16 O=C(CNC)C1=CC=CC=C1 BCP11464 [0,1,0,0,0,0|0,0,1]=2 10 B11R1.16 O[C](C1=CC=CC=C1)CCCl BCP15449 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.17 OC1=C(OCCO)C=CC=C1 BCP18969 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.28 BrCCCCC1=CC=CC=C1 BCP10383 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.28 C1=C(CCCCO)C=CC=C1 BCP16469 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.28 ClCCCCC1=CC=NC=C1 BCP12323 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.28 OCCOCC1=CC=CC=C1 BCP19562 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 BCP17030 [0,1,0,0,0,0|2,0,0]=3 17 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C BCP00912 [0,0,0,1,0,0|2,0,1]=4 18 B11R2.1 CN1C2=C(N=N1)C=CC=C2 BCP20547 [0,0,0,1,0,0|2,0,0]=3 19 B11R2.1 NC1CCC2=C1C=CC=C2 BCP04726 [0,0,0,1,0,0|2,0,0]=3 20 B11R2.1 N[C@@H]1C2=C(CC1)C=CC=C2 BCP15509 [0,0,0,1,0,0|2,0,0]=3 21 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 BCP14221 [0,0,0,1,0,0|2,0,0]=3 22 B11R2.1 N[C]1CCC2=CC=CC=C21 BCP15726 [0,0,0,1,0,0|2,0,0]=3 23 B11R2.1 O=C1C2=C(CC1)C=CC=C2 BCP19847 [0,0,0,1,0,0|2,0,0]=3 24 B11R2.1 O=C1COc2c1cccc2 BCP07835 [0,0,0,1,0,0|3,0,0]=4 25 B11R2.20 C12=C(N=CC=C1)CCCC2 BCP10417 [0,0,0,1,0,0|2,0,0]=3 26 B11R2.20 C12=C(N=CC=C1)CCNC2 BCP08024 [0,0,0,1,0,0|1,0,0]=2 27 B11R2.20 C12=CC=NC=C1CNCC2 BCP14718 [0,0,0,1,0,0|1,0,0]=2 28 B11R2.20 N1=CC=CC2=C1CCNC2 BCP06160 [0,0,0,1,0,0|1,0,0]=2 29 B11R2.238 [C@@H]1(CC2=CC=CC=C2)NC1 BCP18628 [0,0,0,1,0,0|0,0,0]=1 30 B8R1.2 NCC1=CC=CN=C1 BCP13872 [2,0,0,0,0,0|1,0,0]=3 31 B8R1.2 NCC1=NC=CC=N1 BCP00118 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.2 NCC1=NN=CC=C1 BCP04627 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.2 OCC1=CC=CN=C1 BCP20084 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.1 ClC1=CC=C(CCBr)C=C1 BCP09513 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.1 FC1=CC=C(CCBr)C=C1 BCP15339 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.15 OC(CN)C1=CC=CN=C1 BCP11465 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.18 CC(=O)Cc1ccncc1 BCP13413 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.18 CC(NC1=CC=CC=C1)=O BCP02363 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [1,1,0,0,0,0|0,0,1]=3 41 B12R1.16 OC(CNC)C1=CC=C(O)C=C1 BCP13680 [0,2,0,0,0,0|0,0,0]=2 42 B12R1.49 BrC1=CC=C(CC(OC)=O)C=C1 BCP16335 [0,2,0,0,0,0|1,0,1]=4 43 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 BCP11098 [0,2,0,0,0,0|1,0,1]=4 44 B12R1.69 OC1=CC(O)=CC=C1CCCC BCP08128 [0,2,0,0,0,0|1,0,0]=3 45 B12R1.17 OC1=CC(C(CNC)O)=CC=C1 BCP19493 [0,2,0,0,0,0|0,0,0]=2 46 B12R1.17 O[C@@H](CNC)C1=CC(O)=CC=C1 BCP23410 [0,2,0,0,0,0|0,0,0]=2 47 B12R1.107 N[C@@H](CC(O)=O)C1=CC=CC=C1 BCP13904 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 BCP17205 [0,2,0,0,0,0|1,0,1]=4 49 B12R1.226 BrC1=CC(CCC(O)=O)=CC=C1 BCP15306 [0,2,0,0,0,0|2,0,0]=4 50 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl BCP04483 [0,2,0,0,0,0|2,0,0]=4 51 B12R1.8 BrCCCOCc1ccccc1 BCP20136 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.8 CNCC\C=C\C1=CC=CN=C1 BCP02621 [0,2,0,0,0,0|1,0,0]=3 53 B12R1.27 O=C(CCC1=CC=CC=C1)CBr BCP00253 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.27 O=C(OCC1=CC=CC=C1)CO BCP10145 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.252 O=C(O)CCCC1=CC=CC=C1 BCP10715 [0,2,0,0,0,0|1,0,1]=4 56 B10R2.6 [C]1(C2=CC=CC=C2)OC1 BCP14534 [1,0,0,1,0,0|1,0,1]=4 57 B10R2.7 C12=C(CNC1)C=CC=C2 BCP01139 [1,0,0,1,0,0|0,0,0]=2 58 B10R2.7 C12=C(CNC1)C=CC=C2 BCP15681 [1,0,0,1,0,0|0,0,0]=2 59 B10R2.7 C12=C(NC=C1)C=CC=C2 BCP29310 [1,0,0,1,0,0|0,0,2]=4 60 B10R2.7 C=12C=CC=CC1OCO2 BCP11873 [1,0,0,1,0,0|2,0,0]=4 61 B10R2.7 C=12C=CC=NC1CNC2 BCP14712 [1,0,0,1,0,0|1,0,0]=3 62 B10R2.7 c1cnc2c(c1)CCC2 BCP01061 [1,0,0,1,0,0|1,0,0]=3 63 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 BCP10139 [0,1,0,1,0,0|0,0,0]=2 64 B12R2.24 BrC1=CC2=C(CNCC2)C=C1 BCP07129 [0,1,0,1,0,0|0,0,0]=2 65 B12R2.24 BrC1=CC2=C(CNCC2)C=C1 BCP10140 [0,1,0,1,0,0|0,0,0]=2 66 B12R2.24 C1=C2COCCC2=CC(=C1)Br BCP08491 [0,1,0,1,0,0|1,0,0]=3 67 B12R2.24 CC1COC2=C(C=CC=C2)N1 BCP14442 [0,1,0,1,0,0|2,0,0]=4 68 B12R2.24 ClC1=CC=C2C(CCCC2)=N1 BCP09297 [0,1,0,1,0,0|2,0,0]=4 69 B12R2.24 ClC1=NC2=C(CNCC2)C=C1 BCP19287 [0,1,0,1,0,0|1,0,0]=3 70 B12R2.24 OC1=CC=2NCCCC2C=C1 BCP13852 [0,1,0,1,0,0|2,0,0]=4 71 B12R2.24 OC1=CC=C2CCCCC2=C1 BCP20248 [0,1,0,1,0,0|1,0,0]=3 72 B12R2.132 CN1N=CC2=C1C=C(Br)C=C2 BCP00036 [0,1,0,1,0,0|1,0,1]=4 73 B12R2.132 O=C1C2=C(CC1)C=CC(F)=C2 BCP04453 [0,1,0,1,0,0|2,0,0]=4 74 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 BCP16277 [0,1,0,1,0,0|2,0,0]=4 75 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 BCP20138 [0,1,0,1,0,0|1,0,0]=3 76 B12R2.116 NC1(C2=CC=CC=C2)CCC1 BCP10073 [0,1,0,1,0,0|1,0,0]=3 77 B12R2.1081 CC1C2=C(C=CC=C2)CCN1 BCP14751 [0,1,0,1,0,0|0,0,0]=2 78 B12R2.1081 NC1C2=NC=CC=C2CCC1 BCP13456 [0,1,0,1,0,0|2,0,0]=4 79 B12R2.1081 O=C1C=2CNCCC2NC=N1 BCP10164 [0,1,0,1,0,0|2,0,0]=4 80 B12R2.1081 O=C1CCNC2=C1C=CC=C2 BCP10083 [0,1,0,1,0,0|2,0,0]=4 81 B12R2.1081 O=C1CCOC2=C1C=CC=C2 BCP06538 [0,1,0,1,0,0|2,0,0]=4 82 B12R2.203 CN1N=CC2=C1C(Br)=CC=C2 BCP00005 [0,1,0,1,0,0|1,0,1]=4 83 B12R2.612 C[C]1NCC2=C1C=CC(Br)=C2 BCP17553 [0,1,0,1,0,0|2,0,0]=4 84 B12R2.612 Cc1ccc2c(c1)CCC2=O BCP09170 [0,1,0,1,0,0|2,0,0]=4 85 B12R2.612 O=C1C2=CC=C(Br)C=C2CC1 BCP04452 [0,1,0,1,0,0|2,0,0]=4 86 B12R2.18 O[C@@H]1[C](N)C2=C(C=CC=C2)C1 BCP01235 [0,1,0,1,0,0|2,0,0]=4 87 B8R1.8 CNCC1=NOC=C1 BCP11421 [1,0,0,0,1,0|2,0,0]=4 88 B8R1.8 NCCC1=CN=CN1 BCP16313 [1,0,0,0,1,0|2,0,0]=4