0 B10R1.66 O=C(O)CCC1=CC=CN1 CS21786 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.66 O=C(O)CCC1=CC=CO1 MC41688 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.66 O=C(O)CCC1=CNC=C1 MC430255 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.66 O=C(O)CCC1=CNC=N1 MC436928 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.66 O=C(O)\C=C\C1=CC=CO1 MC41690 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.12 CCOCC1=CC=CO1 CS17009 [1,0,0,0,0,0|0,0,1]=2 6 B9R1.12 O=C\C=C\C1=CC=CO1 CS21800 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.12 O=C\C=C\C1=CC=CO1 CS21801 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.35 NC(CC1=CC=CO1)C(=O)O CS13507 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.35 NC(CC1=CC=CS1)C(=O)O CS20416 [0,1,0,0,0,0|2,1,0]=4 10 B11R1.35 NC(Cc1cccs1)C(=O)O MC438193 [0,1,0,0,0,0|2,1,0]=4 11 B11R1.35 NC(Cc1cccs1)C(=O)O MC438194 [0,1,0,0,0,0|2,1,0]=4 12 B11R2.36 CC1=CC2=C(C=C1)OC=C2 MC441161 [0,0,0,1,0,0|2,0,1]=4 13 B11R2.36 O=C1CCC2=C(C1)SC=N2 MC103261 [0,0,0,1,0,0|3,0,0]=4 14 B11R2.36 O=C1CCC2=C(C=NN2)C1 MC116171 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.13 CC(=O)CN1C=NC=N1 CS13822 [0,0,0,0,1,0|3,0,0]=4 16 B9R1.13 CC(N)CC1=CC=CO1 MC431346 [0,0,0,0,1,0|1,0,1]=3 17 B9R1.13 O=C(O)CC1=CC=CS1 CS23025 [0,0,0,0,1,0|1,1,0]=3 18 B9R1.13 O=C(O)CC1=CN=CN1 CS22764 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.13 O=C(O)CC1=CN=CS1 MC105966 [0,0,0,0,1,0|2,1,0]=4 20 B9R1.13 O=C(O)CC1=CNC=C1 MC106680 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.13 O=C(O)CC1=NC=CN1 MC106507 [0,0,0,0,1,0|3,0,0]=4 22 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.91 CC(=O)NCC1=CN=CN=C1 MC105786 [0,0,0,0,0,1|3,0,0]=4 24 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [0,0,0,0,0,1|1,0,0]=2 25 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [0,0,0,0,0,1|2,0,0]=3 26 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [0,0,0,0,0,1|2,0,0]=3 27 B11R1.172 O=C(O)CCCC1=CC=CS1 MC443875 [0,0,0,0,0,1|2,1,0]=4 28 B8R1.8 COCC1=NC=CN1 MC104489 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.8 O=CCC1=CC=CS1 CS17423 [2,0,0,0,0,0|0,1,0]=3 30 B10R1.11 CCOC(=O)C1=CC=CO1 MC10319 [1,1,0,0,0,0|0,0,2]=4 31 B10R1.16 CC1=CC=C(\C=C\C=O)O1 CS17008 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.23 NC(C(=O)O)C1=CC=CS1 MC103430 [0,1,0,0,1,0|1,1,0]=4 33 B10R1.54 CC(=O)NC1=CC=C(Br)S1 CS11706 [0,1,0,0,1,0|1,1,0]=4 34 B10R1.64 CN1C=CC=C1CC(=O)O MC20727 [0,1,0,0,1,0|2,0,0]=4 35 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [0,1,0,0,0,1|2,0,0]=4 36 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [0,1,0,0,0,1|2,0,0]=4 37 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [0,1,0,0,0,1|1,0,0]=3 38 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [0,1,0,0,0,1|1,0,0]=3 39 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [0,1,0,0,0,1|1,0,0]=3 40 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS20449 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.27 NNC(=O)OCc1ccccc1 MC438484 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [0,1,0,0,0,1|1,0,0]=3 43 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [0,0,1,1,0,0|1,0,1]=4 44 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [0,0,1,1,0,0|2,0,0]=4 45 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [0,0,1,1,0,0|1,0,1]=4 46 B10R2.7 C1=CC2=C(CCNC2)O1 MC442759 [1,0,0,1,0,0|2,0,0]=4 47 B10R2.7 C1=CC2=C(CNCC2)O1 MC442758 [1,0,0,1,0,0|1,0,1]=4 48 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [0,0,0,1,0,1|2,0,0]=4 49 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [0,0,0,1,0,1|2,0,0]=4 50 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [0,0,0,0,2,0|0,0,0]=2 51 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [0,0,0,0,2,0|0,1,0]=3 52 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [0,0,0,0,2,0|1,0,0]=3 53 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [0,0,0,0,2,0|2,0,0]=4 54 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [0,0,0,0,2,0|2,0,0]=4 55 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [0,0,0,0,2,0|2,0,0]=4 56 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [0,0,0,0,2,0|1,0,0]=3 57 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [0,0,0,0,2,0|1,1,0]=4 58 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [0,0,0,0,2,0|2,0,0]=4 59 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [0,0,0,0,2,0|2,0,0]=4 60 B8R1.7 CC(C)C1=CC=CO1 MC428131 [0,0,0,0,2,0|1,0,1]=4 61 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [0,0,0,0,2,0|2,0,0]=4 62 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [0,0,0,0,2,0|1,0,0]=3 63 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [0,0,0,0,2,0|1,1,0]=4 64 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [0,0,0,0,2,0|2,0,0]=4 65 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [0,0,0,0,2,0|2,0,0]=4 66 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [0,0,0,0,0,2|1,0,0]=3 67 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [0,0,0,0,0,2|2,0,0]=4