0 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 BBS-00039078 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 BBS-00036255 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.16 COCC(N)C1=CC=CC=C1 BBS-00016624 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.36 CC(O)C(=O)C1=CC=CC=C1 BBS-00026140 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.40 C=CC(C)NC1=CC=CC=C1 BBS-00029326 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.40 CC(CN)OC1=CC=CC=C1 BBS-00015742 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.40 COC(=N)CC1=CC=CC=C1 BBS-00020999 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.40 N#CC(Cl)CC1=CC=CC=C1 BBS-00016743 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.40 NNC(=O)CC1=CC=CC=C1 BBS-00027958 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.263 CC(C)(CO)C(N)C1=CC=CC=C1 BBS-00017069 [0,1,0,0,0,0|3,0,0]=4 10 B13R2.45 NC1C2=CC=CC=C2CC1CO BBS-00037078 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.15 C=C(CN)C1=CC=CC=C1 BBS-00017073 [2,0,0,0,0,0|1,0,1]=4 12 B10R1.15 CC(CN)C1=CC=CC=C1 BBS-00006774 [2,0,0,0,0,0|1,0,0]=3 13 B10R1.15 CC(NN)C1=CC=CC=C1 BBS-00032730 [2,0,0,0,0,0|2,0,0]=4 14 B10R1.15 C[C@@H](ON)C1=CC=CC=C1 BBS-00029917 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.15 NCC(=O)C1=CC=CC=C1 BBS-00027661 [2,0,0,0,0,0|0,0,2]=4 16 B10R1.15 NCC(=O)C1=CC=CC=C1 BBS-00030350 [2,0,0,0,0,0|0,0,2]=4 17 B10R1.15 NCC(O)C1=CC=CN=C1 BBS-00021915 [2,0,0,0,0,0|1,0,0]=3 18 B10R1.15 NCC(O)C1=CC=NC=C1 BBS-00021917 [2,0,0,0,0,0|1,0,0]=3 19 B10R1.15 NCC(O)C1=NC=CC=C1 BBS-00021918 [2,0,0,0,0,0|1,0,0]=3 20 B10R1.17 CNCCC1=NC=CC=C1 BBS-00002883 [2,0,0,0,0,0|1,0,0]=3 21 B10R1.17 N#CCCC1=CC=CC=C1 BBS-00024258 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.17 NCCCC1=CC=CC=C1 BBS-00017110 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.17 O=CCCC1=CC=CC=C1 BBS-00032892 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.17 OCCCC1=CC=CC=C1 BBS-00017111 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.18 N=C(N)CC1=CC=CC=C1 BBS-00021134 [2,0,0,0,0,0|1,0,1]=4 26 B10R1.18 NC(=S)CC1=CC=CC=C1 BBS-00009575 [2,0,0,0,0,0|1,0,1]=4 27 B12R1.3 CCCC(CN)C1=CC=CC=C1 BBS-00015645 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 BBS-00038220 [1,1,0,0,0,0|0,0,0]=2 29 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 BBS-00028827 [1,1,0,0,0,0|0,0,0]=2 30 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 BBS-00011896 [1,1,0,0,0,0|1,0,0]=3 31 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 BBS-00029926 [1,1,0,0,0,0|1,0,0]=3 32 B12R1.107 CN(C)CC(O)C1=CC=CC=C1 BBS-00036040 [1,1,0,0,0,0|0,0,0]=2 33 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 BBS-00008323 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.564 CC(C)(N)C(O)C1=CC=CC=C1 BBS-00036613 [1,1,0,0,0,0|0,0,0]=2 35 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 BBS-00033820 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 BBS-00031985 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.118 NCC(CO)CC1=CC=CC=C1 BBS-00020816 [1,1,0,0,0,0|2,0,0]=4 38 B14R1.417 CC(=O)NC(C)C(=O)C1=CC=CC=C1 BBS-00038852 [0,2,0,0,0,0|0,0,2]=4 39 B12R2.27 CNC1CC1C2=CC=CC=C2 BBS-00021925 [1,0,0,1,0,0|1,0,0]=3 40 B12R2.1081 ClC1CCCC2=C1C=CC=C2 BBS-00032692 [1,0,0,1,0,0|2,0,0]=4 41 B12R2.1081 NC1CCCC2=CC=CC=C21 BBS-00003619 [1,0,0,1,0,0|2,0,0]=4 42 B12R2.2028 CN1N=C(O)C2=CC=CC=C21 BBS-00031976 [1,0,0,1,0,0|1,0,1]=4 43 B12R2.18 N[C@@H]1CC2=CC=CC=C2[C@@H]1O BBS-00032390 [1,0,0,1,0,0|0,0,0]=2 44 B12R2.24 CC1CCC2=CC=CC=C2N1 BBS-00001527 [1,0,0,1,0,0|2,0,0]=4 45 B12R2.37 C1(C)N(C)C1C2=CC=CC=C2 BBS-00031931 [1,0,0,1,0,0|0,0,0]=2 46 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 BBS-00016613 [1,0,0,1,0,0|2,0,0]=4 47 B14R2.114 NC(C1=CC=CC=C1)C2CCCC2 BBS-00029834 [0,1,0,1,0,0|2,0,0]=4