0 B14R1.160 CC(C)COC(=O)C1=C(N)C=CC=C1 SBB017731 [0,0,0,0,0,0|0,0,0]=0 1 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 SBB071424 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 SBB068823 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.45 CN(C)\C=C/C(=O)C1=CC=CC=C1 SBB023014 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.45 CN(C)\C=N\C(=O)C1=CC=CC=C1 SBB055111 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.45 [NH+](C)(C)CCC(=O)C1=CC=CC=C1 SBB057905 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.158 CN(C)CCOC1=C(N)C=CC=C1 SBB089707 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.674 C=CCNC(=O)C1=CC=CC=C1N SBB079880 [1,0,0,0,0,0|1,0,2]=4 8 B13R1.674 CCCNC(=O)C1=CC=CC=C1N SBB079892 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.674 O=C(OCCO)C1=C(O)C=CC=C1 SBB058788 [1,0,0,0,0,0|2,0,0]=3 10 B15R1.5815 O=C(OCC(O)CO)C1=CC=CC=C1O SBB072603 [0,1,0,0,0,0|2,0,0]=3 11 B15R2.308 CC1CCN(C2=CC=CC=C2N)CC1 SBB009579 [0,0,0,1,0,0|3,0,0]=4 12 B13R1.201 CC(=O)CC(=O)C1=C(O)C=CC=C1 SBB007835 [0,0,0,0,1,0|2,0,1]=4 13 B13R1.201 CC(C)NC(=O)C1=CC=CC=C1N SBB018376 [0,0,0,0,1,0|1,0,0]=2 14 B13R1.201 CC(C)OC(=O)C1=C(N)C=CC=C1 SBB017701 [0,0,0,0,1,0|0,0,0]=1 15 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1Br SBB099679 [0,0,0,0,1,0|1,0,0]=2 16 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1O SBB065090 [0,0,0,0,1,0|1,0,0]=2 17 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SBB064862 [2,0,0,0,0,0|1,0,0]=3 18 B12R1.30 CCCNC(=O)C1=CC=CC=C1 SBB058554 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.30 CCCOC(=O)C1=CC=CC=C1 SBB061241 [2,0,0,0,0,0|0,0,0]=2 20 B12R1.30 CCCOC(=O)C1=CN=CC=C1 SBB061278 [2,0,0,0,0,0|1,0,0]=3 21 B12R1.30 O=C(NCCCl)C1=CC=CC=C1 SBB008196 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.267 CCCCOC1=C(N)C=CC=C1 SBB001578 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.308 CCNC(=O)C1=CC=CC=C1N SBB079897 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 SBB064139 [2,0,0,0,0,0|1,0,0]=3 25 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 SBB065272 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.308 CCOC(=O)C1=CC=CC=C1Br SBB065109 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.308 CCOC(=O)C1=CC=CC=C1C SBB064989 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.308 CCOC(=O)C1=CC=CC=C1F SBB064678 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.308 CCOC(=O)C1=CC=CC=C1N SBB064986 [2,0,0,0,0,0|0,0,0]=2 30 B12R1.308 CCOC(=O)C1=CC=CC=C1O SBB058594 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.308 CCOC(=O)C1=CC=CN=C1C SBB053824 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.308 CCOC(=O)C1=CC=NC=C1N SBB053810 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.308 CCOC(=O)C1=CN=CC=C1Cl SBB053818 [2,0,0,0,0,0|2,0,0]=4 34 B14R1.163 CCC(C)COC(=O)C1=CC=CC=C1 SBB061296 [1,1,0,0,0,0|0,0,0]=2 35 B14R1.678 CC(C)COC(=O)C1=CC=C(N)C=C1 SBB073012 [1,1,0,0,0,0|0,0,0]=2 36 B14R1.678 CC(C)COC(=O)C1=CC=C(O)C=C1 SBB080168 [1,1,0,0,0,0|0,0,0]=2 37 B14R1.678 CN(C)CCC(=O)C1=CC=C(Cl)C=C1 SBB100369 [1,1,0,0,0,0|2,0,0]=4 38 B14R1.587 CCC(C)NC(=O)C1=C(N)C=CC=C1 SBB028400 [1,1,0,0,0,0|1,0,0]=3 39 B14R1.1035 CC1=CC=CC=C1C(=O)NCCCCl SBB094553 [1,1,0,0,0,0|2,0,0]=4 40 B14R1.1035 CCCCNC(=O)C1=CC=CC=C1N SBB080180 [1,1,0,0,0,0|1,0,0]=3 41 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1N SBB072416 [1,1,0,0,0,0|0,0,0]=2 42 B14R1.1035 COCCNC(=O)C1=CC=CC=C1N SBB080078 [1,1,0,0,0,0|1,0,0]=3 43 B14R1.4451 CC(C)(C)NC(=O)C1=CC=CC=C1N SBB014011 [0,1,0,0,1,0|1,0,0]=3 44 B14R1.4451 CC(C)(C)OC(=O)C1=CC=CC=C1Br SBB101829 [0,1,0,0,1,0|1,0,0]=3 45 B14R1.6052 CC(C)NC(=O)C1=CC(Br)=CC=C1O SBB056883 [0,1,0,0,1,0|2,0,0]=4 46 B14R2.403 CC1(C)COC(C2=CN=CC=C2)=N1 SBB058941 [1,0,0,1,0,0|2,0,0]=4 47 B14R2.4633 NC1=C(C(=O)NC2CC2)C=CC=C1 SBB050331 [1,0,0,1,0,0|1,0,0]=3 48 B14R2.2 N1C=C(CN(C)C)C2=C1C=CC=C2 SBB003799 [0,0,0,1,1,0|2,0,0]=4 49 B14R2.29496 CC1(C)NC(=O)C2=CC=CC=C2N1 SBB056415 [0,0,0,1,1,0|1,0,0]=3 50 B14R2.29496 CC1CC(C)(C)NC2=CC=CC=C21 SBB012707 [0,0,0,1,1,0|1,0,1]=4 51 B16R2.7896 COC1=C(C2=NC(C)(C)CO2)C=CC=C1 SBB057922 [0,1,0,1,0,0|2,0,0]=4 52 B16R2.62166 CC1(CO)COC(C2=CC=CC=C2O)=N1 SBB071731 [0,1,0,1,0,0|2,0,0]=4 53 B16R2.3264 CC1(C)COC(C2=C(N)C=CC=C2)OC1 SBB072097 [0,1,0,1,0,0|0,0,2]=4 54 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [1,0,0,0,1,0|1,0,1]=4 55 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 SBB058207 [1,0,0,0,1,0|1,0,0]=3 56 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 SBB063237 [1,0,0,0,1,0|1,0,0]=3 57 B12R1.125 C=C(C)COC1=CC=CC=C1N SBB080151 [1,0,0,0,1,0|0,0,2]=4 58 B12R1.125 CC(C)COC1=C(N)C=CC=C1 SBB080113 [1,0,0,0,1,0|0,0,0]=2 59 B12R1.125 NC1=CC=CC=C1OCC(F)F SBB024497 [1,0,0,0,1,0|2,0,0]=4 60 B12R1.460 CCCOC(=O)C1=C(N)SC=C1 SBB030263 [1,0,0,0,1,0|1,0,0]=3 61 B12R1.144 CC(C)OC(=O)C1=C(N)SC=C1 SBB030262 [0,0,0,0,2,0|1,0,0]=3 62 B12R1.124 CN(C)C(=O)C1=CC=CC=C1N SBB079890 [0,0,0,0,2,0|1,0,0]=3 63 B14R1.420 CC(C)CCOC(=O)C1=CC=CC=C1 SBB068552 [1,0,0,0,0,1|0,0,0]=2