0 B14R1.818 CC(C)NC(=O)CCC1=CC=CC=C1 SBB080047 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.42 CCNC(=O)CCC1=CC=CC=C1 SBB080052 [1,0,0,0,0,0|1,0,2]=4 2 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 SBB008827 [1,0,0,0,0,0|0,0,2]=3 3 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 SBB053696 [1,0,0,0,0,0|1,0,1]=3 4 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 SBB060754 [1,0,0,0,0,0|0,0,0]=1 5 B15R1.741 C[C@H](CO)NC(=O)OCC1=CC=CC=C1 SBB052121 [0,1,0,0,0,0|2,0,1]=4 6 B13R1.348 CC(C)NC(=O)NC1=CC=CC=C1 SBB056571 [0,0,0,0,1,0|2,0,0]=3 7 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 SBB064265 [0,0,0,0,1,0|2,0,1]=4 8 B12R1.27 CCC(=O)NNC1=CC=CC=C1 SBB007827 [2,0,0,0,0,0|2,0,0]=4 9 B12R1.27 CCC(=O)OCC1=CC=CC=C1 SBB061239 [2,0,0,0,0,0|1,0,1]=4 10 B12R1.27 COC(=O)CSC1=CC=CC=C1 SBB089934 [2,0,0,0,0,0|1,0,1]=4 11 B12R1.27 COC(=O)NCC1=CC=CC=C1 SBB080563 [2,0,0,0,0,0|1,0,1]=4 12 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 SBB058222 [2,0,0,0,0,0|0,0,0]=2 13 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 SBB079292 [2,0,0,0,0,0|1,0,0]=3 14 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 SBB040799 [1,1,0,0,0,0|0,0,1]=3 15 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=N1 SBB091566 [1,1,0,0,0,0|1,0,1]=4 16 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 SBB010111 [1,1,0,0,0,0|1,0,1]=4 17 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 SBB068851 [1,1,0,0,0,0|0,0,2]=4 18 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 SBB053785 [1,1,0,0,0,0|0,0,0]=2 19 B14R1.32 CCNC(=O)\C=C\C1=CC(Br)=CC=C1 SBB057810 [1,1,0,0,0,0|1,0,0]=3 20 B14R1.32 CCOC(=O)CNC1=CC(C)=CC=C1 SBB047119 [1,1,0,0,0,0|1,0,1]=4 21 B14R1.32 CCOC(=O)COC1=CC(Cl)=CC=C1 SBB073628 [1,1,0,0,0,0|1,0,1]=4 22 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 SBB004645 [1,1,0,0,0,0|1,0,0]=3 23 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 SBB072991 [1,1,0,0,0,0|0,0,2]=4 24 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 SBB091746 [1,1,0,0,0,0|0,0,2]=4 25 B14R1.502 CCOC(=O)COC1=CC=C(I)C=C1 SBB073630 [1,1,0,0,0,0|1,0,1]=4 26 B14R1.598 CCOC(=O)COC1=CC=CC=C1Cl SBB029883 [1,1,0,0,0,0|1,0,1]=4 27 B14R1.433 CC(C)(C)NC(=O)CC1=CC=CC=C1 SBB058209 [0,1,0,0,1,0|1,0,1]=4 28 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CC=C1 SBB008371 [0,1,0,0,1,0|1,0,0]=3 29 B14R1.698 CC(C)CC(=O)NC1=CC=C(N)C=C1 SBB080088 [0,1,0,0,1,0|2,0,0]=4 30 B16R1.12547 CC(C)(C)OC(=O)NOCC1=CC=CC=C1 SBB057705 [0,1,0,0,0,1|1,0,1]=4 31 B16R1.7422 CC(C)(C)OC(=O)NCC1=CC=CC=C1N SBB062984 [0,2,0,0,0,0|1,0,1]=4 32 B16R1.1065 CC(C)NC(=O)C(=O)NC1=CC=C(Cl)C=C1 SBB099340 [0,2,0,0,0,0|2,0,0]=4 33 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(N)C=C1 SBB096343 [0,2,0,0,0,0|1,0,1]=4 34 B14R2.112 CCCC1=CC=C2C=CC=CC2=C1 SBB061520 [1,0,0,1,0,0|2,0,0]=4 35 B14R2.112 CCOC1=CC=C2C=CC=CC2=C1 SBB061201 [1,0,0,1,0,0|1,0,0]=3 36 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 SBB055770 [1,0,0,1,0,0|1,0,1]=4 37 B14R2.31359 CC(O)C1=C2C=CC=CC2=CC=C1 SBB067060 [1,0,0,1,0,0|2,0,0]=4 38 B14R2.31359 C[C@@H](N)C1=CC=CC2=C1C=CC=C2 SBB006731 [1,0,0,1,0,0|2,0,0]=4 39 B14R2.642 CC(C)N1C(=O)NC2=CC=CC=C21 SBB056000 [0,0,0,1,1,0|2,0,0]=4 40 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O SBB001600 [0,0,0,1,1,0|2,0,0]=4 41 B14R2.260 CN1NC(C2=CC=CC=C2)=CC1=O SBB023391 [0,0,0,1,1,0|2,0,0]=4 42 B14R2.781 CC(C)C1=CC2=C(C=CC=C2)C=C1 SBB007801 [0,0,0,1,1,0|1,0,0]=3 43 B14R2.781 CC(O)C1=CC=C2C=CC=CC2=C1 SBB068441 [0,0,0,1,1,0|2,0,0]=4 44 B14R2.781 [C@@H](C)(N)C1=CC=C2C=CC=CC2=C1 SBB003846 [0,0,0,1,1,0|2,0,0]=4 45 B12R1.32 CCNC(=O)NC1=CC=CC=C1 SBB008390 [1,0,0,0,1,0|2,0,0]=4 46 B12R1.32 CCOC(=O)CC1=CC=CC=N1 SBB058275 [1,0,0,0,1,0|1,0,1]=4 47 B12R1.32 CCOC(=O)CC1=CC=NC=C1 SBB053836 [1,0,0,0,1,0|1,0,1]=4 48 B12R1.32 CCOC(=O)CC1=CN=CC=C1 SBB058276 [1,0,0,0,1,0|1,0,1]=4 49 B12R1.32 CCOC(=O)NC1=NC=CC=C1 SBB017258 [1,0,0,0,1,0|2,0,0]=4 50 B12R1.51 CCOC(=O)\C=C\C1=CC=CO1 SBB001549 [1,0,0,0,1,0|1,0,0]=3 51 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 SBB058215 [0,0,0,0,2,0|2,0,0]=4 52 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 SBB058207 [0,0,0,0,2,0|1,0,0]=3 53 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 SBB063237 [0,0,0,0,2,0|2,0,0]=4 54 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 SBB003613 [1,0,0,0,0,1|0,0,2]=4