0 B13R2.328 CC1=C2C=CC=CC2=NC(O)=C1 AC-13236 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)N1 AC-96097 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 AC-54803 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 AC-65612 [0,0,0,0,0,0|2,0,2]=4 4 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)N1 AC-45868 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 AC-90935 [0,0,0,0,0,0|2,0,1]=3 6 B13R2.328 O=C1NC(Cl)=CC2=C1C=CC=C2 AC-87596 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.328 OC1=CC(O)=C2C=CC=CC2=C1 AC-21101 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 AC-89608 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.24 OC1=CC=C2C=CC=CC2=C1 AC-23833 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.24 OC1=CC=C2C=CC=CC2=N1 AC-45938 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.1081 O=C1C=COC2=C1C=CC=C2 AC-16777 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.1081 O=C1C=NNC2=C1C=CC=C2 AC-77424 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AC-31405 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AC-11244 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.1081 O=C1CNCC2=C1C=CC=C2 AC-84554 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 AC-94504 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.1081 O=C1NCCC2=C1C=CC=C2 AC-28099 [1,0,0,0,0,0|3,0,0]=4 18 B14R2.1019 COC1=CC(=O)C2=C(C=CC=C2)O1 AC-85957 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.8045 CC1=CC=CC2=C1NC(=O)OC2=O AC-21913 [0,1,0,0,0,0|2,0,1]=4 20 B14R2.8045 O=C1NC2=C(Br)C=CC=C2C(=O)O1 AC-82101 [0,1,0,0,0,0|2,0,1]=4 21 B14R2.8235 CC1=NC2=CC=C(Br)C=C2C(=O)O1 AC-33637 [0,1,0,0,0,0|3,0,0]=4 22 B14R2.8235 O=C1C=C(O)NC2=C1C=C(Br)C=C2 AC-80087 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.8235 O=C1NC2=C(C=C(Br)C=C2)C(=O)O1 AC-16304 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.28480 O=C1NC2=CC=CC(Br)=C2C(=O)O1 AC-86542 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.29365 NC1=CC=C2C(=O)OC(=O)NC2=C1 AC-81234 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.29365 O=C1NC2=C(C=CC(Cl)=C2)C(=O)O1 AC-21914 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.75 O=CC1=CC=CC=C1OC(F)F AC-18197 [0,0,1,0,0,0|3,0,0]=4 28 B12R1.283 CCOC1=C(C(=O)O)C=CN=C1 AC-83005 [0,0,1,0,0,0|3,0,0]=4 29 B12R1.283 CCOC1=CC=CC=C1C(=O)O AC-14204 [0,0,1,0,0,0|2,0,0]=3 30 B12R1.283 CCOC1=CC=CC=C1C(=O)O AC-23504 [0,0,1,0,0,0|2,0,0]=3 31 B12R1.283 COCC1=CC=CC=C1C(=O)O AC-80472 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.283 N#CCC1=CC=CC=C1C(=O)O AC-44273 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.308 CCCC(=O)C1=CC=CC=C1O AC-65621 [0,0,1,0,0,0|3,0,0]=4 34 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 AC-90992 [0,0,1,0,0,0|3,0,0]=4 35 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl AC-76785 [0,0,1,0,0,0|3,0,0]=4 36 B12R1.308 CCOC(=O)C1=CC=CC=C1F AC-29063 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.308 CCOC(=O)C1=CC=CC=C1I AC-86721 [0,0,1,0,0,0|3,0,0]=4 38 B12R2.18 CC1CC2=C(C=CC=C2)C1=O AC-39381 [0,0,0,0,1,0|3,0,0]=4 39 B12R2.18 CC1OC2=CC=CN=C2C1=O AC-30966 [0,0,0,0,1,0|3,0,0]=4 40 B12R2.18 O=C1C2=C(C=CC=C2)CC1Br AC-25052 [0,0,0,0,1,0|3,0,0]=4 41 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O AC-65337 [0,0,0,0,1,0|2,0,1]=4 42 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O AC-65284 [0,0,0,0,1,0|2,0,1]=4 43 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 AC-83562 [0,0,0,0,1,0|3,0,0]=4 44 B12R2.2028 NC1NC(=O)C2=C1C=CC=C2 AC-92774 [0,0,0,0,1,0|3,0,0]=4 45 B12R2.2028 O=C1CC(Br)C2=C1C=CC=C2 AC-71476 [0,0,0,0,1,0|3,0,0]=4 46 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 AC-11609 [0,0,0,0,1,0|2,0,1]=4 47 B11R1.41 CCOC1=CC=CC=C1C=O AC-23499 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 AC-21381 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.53 C#CC1=CC=CC=C1C(=O)O AC-93746 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.53 CCC1=CC=CC=C1C(=O)O AC-14207 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.53 CNC1=CC=CC=C1C(=O)O AC-77200 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.53 COC1=C(C(=O)O)C=CN=C1 AC-12657 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.53 COC1=CC=CC=C1C(=O)O AC-59997 [1,0,1,0,0,0|1,0,0]=3 54 B11R1.53 COC1=CC=CN=C1C(=O)O AC-80130 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.53 N#CC1=CC=CC=C1C(=O)O AC-10849 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.53 NCC1=CC=CC=C1C(=O)O AC-82643 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.53 NNC1=CC=CC=C1C(=O)O AC-49805 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.53 O=C(O)C1=C(CO)N=CC=C1 AC-92170 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.53 O=CC1=CC=CC=C1C(=O)O AC-37708 [1,0,1,0,0,0|1,0,1]=4 60 B11R1.222 COC(=O)C1=C(O)C=NC=C1 AC-43382 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.222 COC(=O)C1=CC=CC=C1F AC-30921 [1,0,1,0,0,0|2,0,0]=4 62 B11R1.222 COC(=O)C1=CC=CC=C1N AC-64856 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.222 COC(=O)C1=NC=CC=C1O AC-75380 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.222 O=C(NO)C1=CC=CC=C1O AC-77087 [1,0,1,0,0,0|1,0,0]=3 65 B13R1.382 CCOC1=CC=CC=C1C(=O)OC AC-15311 [0,1,1,0,0,0|2,0,0]=4 66 B13R1.572 CCCOC1=CC=CC=C1C(=O)O AC-21357 [0,1,1,0,0,0|2,0,0]=4 67 B13R1.12 CCOC(=O)C1=CC=CC(F)=C1O AC-87342 [0,1,1,0,0,0|2,0,0]=4 68 B13R1.12 CCOC(=O)C1=CC=CC(N)=C1O AC-92858 [0,1,1,0,0,0|2,0,0]=4 69 B13R2.342 CC1=CC=CC2=C1OCCC2=O AC-72404 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.342 NC1=CC=CC2=C1C=COC2=O AC-90714 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.342 O=C1CCOC2=C1C=CC=C2Br AC-33490 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.342 O=C1OC=CC2=C1C=CC=C2Br AC-87597 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.4818 CC1=CC=CC2=C1C(=O)CCO2 AC-83815 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.4818 O=C1CCOC2=C1C(F)=CC=C2 AC-89127 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.45 O=C1C2=C(C=CC=C2)C\C1=N/O AC-89584 [0,1,0,0,1,0|2,0,0]=4 76 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O AC-65415 [0,1,0,0,1,0|2,0,0]=4 77 B13R2.4857 NC1=CC=CC2=C1C(=O)OC2=O AC-96393 [0,1,0,0,1,0|1,0,1]=4 78 B13R2.5187 O=C1OC(=O)C2=CC(Br)=CC=C12 AC-25462 [0,1,0,0,1,0|1,0,1]=4 79 B13R2.5187 O=C1OC(=O)C2=CC(Cl)=CC=C12 AC-10791 [0,1,0,0,1,0|1,0,1]=4 80 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 AC-13012 [0,2,0,0,0,0|2,0,0]=4 81 B13R2.5569 O=C(O)C1=C2C=COC2=CC=C1 AC-93433 [0,0,1,1,0,0|2,0,0]=4 82 B13R2.5569 O=C(O)C1=C2N=COC2=CC=C1 AC-86886 [0,0,1,1,0,0|2,0,0]=4 83 B13R2.5569 O=C(O)C1=C2OC=CC2=CC=C1 AC-83658 [0,0,1,1,0,0|2,0,0]=4 84 B13R2.5569 O=C(O)C1=C2OCCC2=CC=C1 AC-55353 [0,0,1,1,0,0|2,0,0]=4 85 B13R2.5569 O=C(O)C1=C2OCOC2=CC=C1 AC-39205 [0,0,1,1,0,0|1,0,0]=3 86 B11R1.36 C=C(B(O)O)C1=CC=CC=C1 AC-85302 [0,0,1,0,1,0|2,0,0]=4 87 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 AC-38080 [0,0,1,0,1,0|1,0,1]=4 88 B11R2.1 OC1OCC2=C1C=CC=C2 AC-95328 [1,0,0,0,1,0|1,0,1]=4 89 B11R2.10 BrC1=CC2=CC=CC=C2O1 AC-24763 [1,0,0,0,1,0|2,0,0]=4 90 B11R2.10 CC1=CC2=CC=CC=C2O1 AC-93322 [1,0,0,0,1,0|2,0,0]=4 91 B11R2.10 NC1=CC2=CC=CC=C2O1 AC-89495 [1,0,0,0,1,0|2,0,0]=4 92 B11R2.10 O=C1OC2=CC=CC=C2O1 AC-80816 [1,0,0,0,1,0|1,0,1]=4 93 B11R2.10 OC1=CC2=C(C=CC=C2)N1 AC-91799 [1,0,0,0,1,0|2,0,0]=4