0 B12R1.51 CCOC(=O)CCC1=CC=CN1 D87708 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.51 NCCC(=O)NCC1=CC=CO1 F21048 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.4 CCCCOCC1=CC=CO1 S11931 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.25 COC(=O)CCC1=CC=CS1 C91137 [1,0,0,0,0,0|0,1,0]=2 4 B11R1.25 NCC(=O)NCC1=CC=CO1 F21191 [1,0,0,0,0,0|2,0,0]=3 5 B11R0.4 CCC\C=C\CCC(=O)OCC E70248 [0,0,1,0,0,0|1,0,2]=4 6 B13R2.856 CCOC(=O)C1CC2C=CC1O2 F51516 [0,0,0,1,0,0|0,0,2]=3 7 B11R1.30 CCOC(=O)CC1=CC=CN1 P11574 [0,0,0,0,1,0|1,0,0]=2 8 B11R1.30 CCOC(=O)CC1=NC=CN1 F17295 [0,0,0,0,1,0|2,0,0]=3 9 B11R1.30 CCOC(=O)CN1C=CN=N1 D76937 [0,0,0,0,1,0|3,0,0]=4 10 B11R1.30 CCOC(=O)CN1N=CC=N1 D76958 [0,0,0,0,1,0|3,0,0]=4 11 B11R1.30 CCOC(=O)NC1=CC=CS1 AC2824 [0,0,0,0,1,0|1,1,0]=3 12 B13R1.42 CCOC(=O)C#CC1=NC=CC=C1 AC6567 [0,0,0,0,0,1|1,0,2]=4 13 B13R1.42 CCOC(=O)CCC1=NC=CC=N1 F14067 [0,0,0,0,0,1|1,0,0]=2 14 B10R1.66 O=C(O)CSC1=CC=CS1 AT21321 [2,0,0,0,0,0|1,1,0]=4 15 B12R1.15 COC(=O)CC(=O)C1=CC=CS1 84769 [1,1,0,0,0,0|0,1,1]=4 16 B12R1.15 COC(=O)C[C@H](N)C1=CC=CO1 N16707 [1,1,0,0,0,0|0,0,0]=2 17 B12R1.15 COC(=O)C[C@H](N)C1=CC=CO1 N16708 [1,1,0,0,0,0|0,0,0]=2 18 B12R1.15 COC(=O)C[C@H](N)C1=CC=CO1 N16709 [1,1,0,0,0,0|0,0,0]=2 19 B12R1.15 COC(=O)C[C@H](N)C1=COC=C1 N16741 [1,1,0,0,0,0|2,0,0]=4 20 B12R1.15 COC(=O)C[C@H](N)C1=COC=C1 N16742 [1,1,0,0,0,0|2,0,0]=4 21 B12R1.15 COC(=O)C[C@H](N)C1=COC=C1 N16743 [1,1,0,0,0,0|2,0,0]=4 22 B12R1.26 COC(=O)CCC1=CC(Br)=NO1 AT24355 [1,1,0,0,0,0|1,0,0]=3 23 B12R1.26 COC(=O)CCC1=CN=C(N)S1 W17130 [1,1,0,0,0,0|1,1,0]=4 24 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CS1 N12870 [1,1,0,0,0,0|0,1,0]=3 25 B12R1.108 COC(=O)[C@@H](N)CC1=CNC=N1 AC8660 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.108 COC(=O)[C@@H](N)CC1=CSC=C1 N12857 [1,1,0,0,0,0|2,0,0]=4 27 B12R1.108 COC(=O)[C@@H](O)CN1C=CC=N1 89290 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.353 COC(=O)CCN1SC=CC1=O AC5922 [1,1,0,0,0,0|1,1,0]=4 29 B12R1.31 CCOC(=O)CC1=CC=C(C)S1 94301 [0,1,0,0,1,0|0,1,0]=3 30 B12R1.31 CCOC(=O)CN1C=C(O)C=N1 AT11890 [0,1,0,0,1,0|2,0,0]=4 31 B12R1.55 CCOC(=O)[C@H](Br)C1=CC=CS1 93385 [0,1,0,0,1,0|0,1,0]=3 32 B12R1.55 CCOC(=O)[C@H](Br)C1=CSC=C1 93382 [0,1,0,0,1,0|2,0,0]=4 33 B12R1.318 CCOC(=O)CC1=C(C)N=CS1 AC2277 [0,1,0,0,1,0|1,1,0]=4 34 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 N12672 [0,1,0,0,0,1|1,0,0]=3 35 B14R1.29 CCOC(=O)C[C@H](N)C1=NC=CC=C1 F30871 [0,1,0,0,0,1|1,0,0]=3 36 B14R1.29 CCOC(=O)N[C@@H](C)C1=CC=CC=C1 AC7549 [0,1,0,0,0,1|2,0,0]=4 37 B14R1.32 CCOC(=O)CCC1=CC(N)=CC=C1 AC2664 [0,1,0,0,0,1|1,0,0]=3 38 B14R1.32 CCOC(=O)CNC1=CC=CC(Cl)=C1 N11777 [0,1,0,0,0,1|2,0,0]=4 39 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 N14357 [0,1,0,0,0,1|1,0,0]=3 40 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=NC=C1 67499 [0,1,0,0,0,1|1,0,0]=3 41 B14R1.60 CCOC(=O)[C@@H](N)CC1=CN=CC=C1 67498 [0,1,0,0,0,1|1,0,0]=3 42 B14R1.60 CCOC(=O)[C@H](C)OC1=CC=CC=C1 98061 [0,1,0,0,0,1|2,0,0]=4 43 B14R1.502 CCOC(=O)CCC1=CN=C(Br)C=C1 F30861 [0,1,0,0,0,1|1,0,0]=3 44 B14R1.502 CCOC(=O)CCC1=CN=C(Cl)N=C1 98592 [0,1,0,0,0,1|2,0,0]=4 45 B14R1.502 CCOC(=O)CCC1=CN=C(N)C=C1 F30860 [0,1,0,0,0,1|1,0,0]=3 46 B14R1.502 CCOC(=O)COC1=NC=C(Br)C=C1 96551 [0,1,0,0,0,1|2,0,0]=4 47 B14R1.598 CCOC(=O)CCC1=C(Br)C=CC=N1 F30872 [0,1,0,0,0,1|1,0,0]=3 48 B14R1.598 CCOC(=O)CCC1=CC=CN=C1F D74999 [0,1,0,0,0,1|1,0,0]=3 49 B14R1.598 CCOC(=O)CSC1=NC=CN=C1Cl 92245 [0,1,0,0,0,1|2,0,0]=4 50 B14R1.598 CCOC(=O)CSC1=NC=CN=C1F 92246 [0,1,0,0,0,1|2,0,0]=4 51 B14R1.524 CCOC(=O)\C(C#N)=C\C1=CC=CO1 29888 [0,2,0,0,0,0|0,0,2]=4 52 B12R1.308 CCOC(=O)C1=NC=CC=C1O AC5369 [0,0,1,1,0,0|1,0,1]=4 53 B12R1.313 CCOC(=O)[C@@H]1CC(=O)C=C1C W17297 [0,0,1,1,0,0|0,0,2]=4 54 B14R2.21 O=C1C[C@@H](C2=CC=CC=C2)CCN1 P10604 [0,0,0,1,0,1|2,0,0]=4 55 B10R1.27 COC(=O)CC1=CC=CN1 AB10301 [1,0,0,0,1,0|1,0,0]=3 56 B10R1.27 COC(=O)CC1=NNC=C1 F14156 [1,0,0,0,1,0|2,0,0]=4 57 B10R1.11 CCCC(=O)C1=CC=CO1 N14287 [0,0,0,0,2,0|1,0,0]=3 58 B10R1.11 COCC(=O)C1=CC=CO1 AT17460 [0,0,0,0,2,0|2,0,0]=4 59 B12R1.27 COC(=O)CCC1=NC=CN=C1 C15360 [1,0,0,0,0,1|1,0,0]=3 60 B12R1.27 COC(=O)CCC1=NC=NC=C1 F14178 [1,0,0,0,0,1|1,0,0]=3 61 B14R1.520 CCOC(=O)CCCC1=NC=CN=C1 98000 [0,0,0,0,0,2|1,0,0]=3 62 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 71162 [0,0,0,0,0,2|1,0,1]=4 63 B14R1.520 CCOC(=O)\C=C\CC1=CC=CC=C1 71468 [0,0,0,0,0,2|1,0,1]=4