0 B10R1.66 CC(C)CCN1C=CC=N1 MC107613 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.66 O=C(O)CCC1=CC=CN1 CS21786 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.66 O=C(O)CCC1=CC=CO1 MC41688 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.66 O=C(O)CCC1=CNC=C1 MC430255 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.66 O=C(O)CCC1=CNC=N1 MC436928 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.66 O=C(O)\C=C\C1=CC=CO1 MC41690 [0,0,0,0,0,0|1,0,2]=3 6 B9R1.12 CCCCC1C=CC=C1 MC114482 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.12 CCOCC1=CC=CO1 CS17009 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.12 O=C\C=C\C1=CC=CO1 CS21800 [1,0,0,0,0,0|0,0,2]=3 9 B9R1.12 O=C\C=C\C1=CC=CO1 CS21801 [1,0,0,0,0,0|0,0,2]=3 10 B11R1.35 NC(CC1=CC=CO1)C(=O)O CS13507 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.35 NC(CC1=CC=CS1)C(=O)O CS20416 [0,1,0,0,0,0|1,1,0]=3 12 B11R1.35 NC(CC1=CNC=N1)C(=O)O CS19282 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.35 NC(CC1=CNC=N1)C(=O)O MC428109 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.35 NC(Cc1cccs1)C(=O)O MC438193 [0,1,0,0,0,0|1,1,0]=3 15 B11R1.35 NC(Cc1cccs1)C(=O)O MC438194 [0,1,0,0,0,0|1,1,0]=3 16 B11R1.35 NC(Cc1nccs1)C(=O)O MC438192 [0,1,0,0,0,0|2,1,0]=4 17 B11R2.36 CC1=CC2=C(C=C1)OC=C2 MC441161 [0,0,0,1,0,0|1,0,2]=4 18 B11R2.36 O=C1CCC2=C(C1)SC=N2 MC103261 [0,0,0,1,0,0|2,0,0]=3 19 B11R2.36 O=C1CCC2=C(C=NN2)C1 MC116171 [0,0,0,1,0,0|2,0,0]=3 20 B11R2.845 CC(=O)C1CC2C=CC1C2 CS10188 [0,0,0,1,0,0|1,0,2]=4 21 B9R1.13 CC(=O)CN1C=NC=N1 CS13822 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.13 CC(N)CC1=CC=CO1 MC431346 [0,0,0,0,1,0|1,0,1]=3 23 B9R1.13 O=C(O)CC1=CC=CS1 CS23025 [0,0,0,0,1,0|1,1,0]=3 24 B9R1.13 O=C(O)CC1=CN=CN1 CS22764 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.13 O=C(O)CC1=CN=CS1 MC105966 [0,0,0,0,1,0|2,1,0]=4 26 B9R1.13 O=C(O)CC1=CNC=C1 MC106680 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.13 O=C(O)CC1=NC=CN1 MC106507 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [0,0,0,0,0,1|2,0,0]=3 29 B11R1.91 CC(=O)NCC1=CN=CN=C1 MC105786 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [0,0,0,0,0,1|2,0,0]=3 31 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425129 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425915 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.91 O=C(O)COC1=CC=NC=C1 MC443726 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [0,0,0,0,0,1|3,0,0]=4 39 B11R1.172 O=C(O)CCCC1=CC=CS1 MC443875 [0,0,0,0,0,1|1,1,0]=3 40 B8R1.8 CCCC1=NC=CN1 CS14621 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.8 O=CCC1=CC=CS1 CS17423 [2,0,0,0,0,0|0,1,0]=3 42 B8R1.8 OCCC1=CC=CS1 CS14939 [2,0,0,0,0,0|0,1,1]=4 43 B10R1.16 CC1=CC=C(\C=C\C=O)O1 CS17008 [1,1,0,0,0,0|0,0,2]=4 44 B10R1.23 NC(C(=O)O)C1=CC=CS1 MC103430 [0,1,0,0,1,0|1,1,0]=4 45 B10R1.54 CC(=O)NC1=CC=C(Br)S1 CS11706 [0,1,0,0,1,0|1,1,0]=4 46 B10R1.64 CN1C=CC=C1CC(=O)O MC20727 [0,1,0,0,1,0|2,0,0]=4 47 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [0,1,0,0,0,1|1,0,0]=3 48 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS21832 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 CS15944 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 CS17825 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS21674 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS19854 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS21107 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [0,1,0,0,0,1|1,0,0]=3 55 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438079 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438080 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438081 [0,1,0,0,0,1|2,0,0]=4 62 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438082 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS15443 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS18748 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS21178 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CS18803 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O MC20764 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O MC439076 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.43 NC(Cc1ccccn1)C(=O)O MC427345 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.43 NC(Cc1ccccn1)C(=O)O MC438142 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.43 NC(Cc1ccccn1)C(=O)O MC438143 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.43 NC(Cc1ccccn1)C(=O)O MC439075 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.43 NC(Cc1cccnc1)C(=O)O MC438144 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.43 NC(Cc1ccncc1)C(=O)O MC439080 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 MC437778 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [0,1,0,0,0,1|1,0,1]=4 80 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [0,1,0,0,0,1|2,0,0]=4 81 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 CS20300 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 CS21656 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 CS21658 [0,1,0,0,0,1|2,0,0]=4 86 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS13948 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.226 O=C(O)CCc1cccc(F)c1 MC40203 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.108 COC(=O)C(N)CC1=CNC=N1 MC428092 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.120 NC(C(=O)O)C(O)C1=CC=CS1 MC438195 [0,2,0,0,0,0|1,1,0]=4 90 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [0,0,1,1,0,0|1,0,1]=4 91 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [0,0,1,1,0,0|1,0,1]=4 92 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [0,0,1,1,0,0|0,0,2]=4 93 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [0,0,1,1,0,0|1,0,1]=4 94 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [0,0,1,1,0,0|0,0,2]=4 95 B10R2.7 C1=CC2=C(CCNC2)O1 MC442759 [1,0,0,1,0,0|1,0,0]=3 96 B10R2.7 C1=CC2=C(CCNC2)S1 CS20419 [1,0,0,1,0,0|1,1,0]=4 97 B10R2.7 C1=CC2=C(CNCC2)O1 MC442758 [1,0,0,1,0,0|1,0,1]=4 98 B10R2.32 O=C1CCC2=C1SC=C2 MC429082 [1,0,0,1,0,0|2,0,0]=4 99 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [0,0,0,1,0,1|1,0,0]=3 100 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [0,0,0,1,0,1|1,0,0]=3 101 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [0,0,0,1,0,1|2,0,0]=4 102 B12R2.24 O=C1CCC2=CC=CN=C2N1 MC113033 [0,0,0,1,0,1|2,0,0]=4 103 B12R2.24 O=C1CCC2=CN=CC=C2N1 MC105357 [0,0,0,1,0,1|2,0,0]=4 104 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [0,0,0,1,0,1|2,0,0]=4 105 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [0,0,0,1,0,1|2,0,0]=4 106 B12R2.114 O=C1CCCC2=C(C=CS2)N1 MC121300 [0,0,0,1,0,1|1,1,0]=4 107 B12R2.606 NC1=NC2=C(CCC(=O)C2)S1 MC111679 [0,1,0,1,0,0|1,1,0]=4 108 B12R2.606 O=C1CCC2=C(C1)N=C(Cl)S2 MC107716 [0,1,0,1,0,0|1,1,0]=4 109 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [0,0,0,0,2,0|0,0,0]=2 110 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [0,0,0,0,2,0|0,1,0]=3 111 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [0,0,0,0,2,0|1,0,0]=3 112 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [0,0,0,0,2,0|2,0,0]=4 113 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [0,0,0,0,2,0|2,0,0]=4 114 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [0,0,0,0,2,0|2,0,0]=4 115 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [0,0,0,0,2,0|1,0,0]=3 116 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [0,0,0,0,2,0|1,1,0]=4 117 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [0,0,0,0,2,0|2,0,0]=4 118 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [0,0,0,0,2,0|2,0,0]=4 119 B8R1.7 CC(C)C1=CC=CO1 MC428131 [0,0,0,0,2,0|1,0,1]=4 120 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [0,0,0,0,2,0|2,0,0]=4 121 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [0,0,0,0,2,0|1,0,0]=3 122 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [0,0,0,0,2,0|1,1,0]=4 123 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [0,0,0,0,2,0|2,0,0]=4 124 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [0,0,0,0,2,0|2,0,0]=4 125 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [1,0,0,0,0,1|2,0,0]=4 126 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [0,0,0,0,0,2|1,0,0]=3 127 B12R1.252 O=C(O)CCCC1=NC=CC=C1 CS12802 [0,0,0,0,0,2|2,0,0]=4 128 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MC40204 [0,0,0,0,0,2|2,0,0]=4 129 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [0,0,0,0,0,2|2,0,0]=4 130 B12R1.252 O=C(O)CNCC1=NC=CC=C1 MC105962 [0,0,0,0,0,2|2,0,0]=4 131 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [0,0,0,0,0,2|2,0,0]=4