0 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 AC-12577 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.328 CC1=NC2=CC=CC=C2C(=O)N1 AC-12547 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.328 CC1=NC2=CC=NC=C2C(=O)O1 AC-22862 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 AC-13227 [0,0,0,0,0,0|2,0,2]=4 4 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 AC-3003 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 AC-3291 [0,0,0,0,0,0|2,0,1]=3 6 B13R2.328 OC1=CC(O)=NC2=CC=CC=C12 AC-22550 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.328 OC1=CC2=CC=CC=C2C(O)=C1 AC-15068 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 AC-10464 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.24 OC1=CC2=CC=CC=C2C=N1 AC-7300 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.1081 O=C1C=NNC2=CC=CC=C12 AC-27099 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AC-6869 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.1081 O=C1CCNC2=C1C=CC=C2 AC-29666 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.1081 O=C1CCOC2=CC=CC=C12 AC-3079 [1,0,0,0,0,0|2,0,0]=3 14 B12R2.1081 O=C1COCC2=CC=CC=C12 AC-30171 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.1081 O=C1NCCC2=CC=CC=C12 AC-5218 [1,0,0,0,0,0|3,0,0]=4 16 B14R2.7724 O=C1C=C(O)C(=O)C2=C1C=CC=C2 AC-34621 [0,1,0,0,0,0|3,0,0]=4 17 B14R2.8235 CC1=CC=C2NC(=O)OC(=O)C2=C1 AC-14654 [0,1,0,0,0,0|2,0,1]=4 18 B14R2.8235 O=C1NC2=C(C=C(Cl)C=C2)C(=O)O1 AC-9247 [0,1,0,0,0,0|2,0,1]=4 19 B14R2.8235 O=C1NC2=CC=C(Br)C=C2C(=O)O1 AC-14652 [0,1,0,0,0,0|2,0,1]=4 20 B14R2.8235 O=C1NC2=CC=C(Cl)C=C2C(=O)O1 AC-14653 [0,1,0,0,0,0|2,0,1]=4 21 B14R2.8235 O=C1NC2=CC=C(F)C=C2C(=O)O1 AC-16597 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.8235 O=C1NC2=CC=C(O)C=C2C(=O)O1 AC-9295 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.29365 CC1=CC=C2C(=O)OC(=O)NC2=C1 AC-6635 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.29365 O=C1NC2=C(C=CC(Br)=C2)C(=O)O1 AC-9611 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.29365 O=C1NC2=C(C=CC(Cl)=C2)C(=O)O1 AC-24014 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.29365 O=C1NC2=CC(F)=CC=C2C(=O)O1 AC-26719 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.283 CCOC1=C(C(=O)O)C=CC=C1 AC-2854 [0,0,1,0,0,0|2,0,0]=3 28 B12R1.283 CCOC1=C(C(N)=O)C=CC=C1 AC-11991 [0,0,1,0,0,0|3,0,0]=4 29 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 AC-31233 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.308 O=C(NCO)C1=CC=CC=C1O AC-22892 [0,0,1,0,0,0|2,0,0]=3 31 B12R2.18 CC1OC2=C(N=CC=C2)C1=O AC-25115 [0,0,0,0,1,0|3,0,0]=4 32 B12R2.18 O=C1C2=CC=CC=C2CC1Br AC-23387 [0,0,0,0,1,0|3,0,0]=4 33 B12R2.18 O=C1C2=CC=CC=C2CC1I AC-22955 [0,0,0,0,1,0|3,0,0]=4 34 B12R2.18 O=C1NC2=CC=CC=C2C1=O AC-10666 [0,0,0,0,1,0|2,0,1]=4 35 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 AC-23412 [0,0,0,0,1,0|3,0,0]=4 36 B12R2.2028 O=C1CC(=O)C2=CC=CC=C12 AC-18310 [0,0,0,0,1,0|2,0,1]=4 37 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 AC-17858 [0,0,0,0,1,0|2,0,1]=4 38 B11R1.16 O=C(NCO)C1=CC=CC=C1 AC-19077 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.53 CNC1=CC=CC=C1C(=O)O AC-24424 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.53 COC1=C(C(=O)O)C=CC=C1 AC-3023 [1,0,1,0,0,0|1,0,0]=3 41 B11R1.53 COC1=CC=CN=C1C(=O)O AC-27556 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.53 COC1=CN=CC=C1C(=O)O AC-23305 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.53 N#CC1=CC=CC=C1C(=O)O AC-23088 [1,0,1,0,0,0|2,0,0]=4 44 B11R1.53 NNC1=CC=CC=C1C(=O)O AC-19632 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.53 O=C(O)C1=CC=CC=C1CBr AC-25720 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 AC-10642 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.222 COC(=O)C1=C(I)C=CC=C1 AC-18402 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.222 COC(=O)C1=C(N)C=CC=C1 AC-11600 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.222 COC(=O)C1=C(O)C=CN=C1 AC-6153 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.222 COC(=O)C1=C(O)N=CC=C1 AC-25219 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.222 COC(=O)C1=CC=CC=C1Br AC-13649 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.222 COC(=O)C1=CC=CC=C1O AC-11584 [1,0,1,0,0,0|1,0,0]=3 53 B11R1.222 COC(=O)C1=CC=NC=C1O AC-23184 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.222 COC(=O)C1=NC=CC=C1O AC-1287 [1,0,1,0,0,0|2,0,0]=4 55 B13R1.572 CCCOC1=CC=CC=C1C(=O)O AC-1276 [0,1,1,0,0,0|2,0,0]=4 56 B13R1.4453 CCOC(=O)C1=C(C)C=CC=C1O AC-5307 [0,1,1,0,0,0|2,0,0]=4 57 B13R2.342 O=C1CCOC2=C(Br)C=CC=C12 AC-31634 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.342 O=C1CCOC2=C(F)C=CC=C12 AC-31631 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.342 O=C1CCOC2=C1C=CC=C2Cl AC-29164 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.4818 CC1=C2C(=O)CCOC2=CC=C1 AC-31630 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.4857 O=C1OC(=O)C2=C(F)C=CC=C12 AC-6941 [0,1,0,0,1,0|1,0,1]=4 62 B13R2.4857 O=C1OC(=O)C2=C(O)C=CC=C12 AC-29923 [0,1,0,0,1,0|1,0,1]=4 63 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Br)=C2 AC-7938 [0,1,0,0,1,0|1,0,1]=4 64 B13R2.5187 O=C1OC(=O)C2=CC(F)=CC=C12 AC-9813 [0,1,0,0,1,0|1,0,1]=4 65 B13R2.12159 O=C1OI(=O)(O)C2=CC=CC=C12 AC-990 [0,1,0,0,1,0|1,0,0]=3 66 B13R2.12159 O=C1OS(=O)(=O)C2=CC=CC=C12 AC-18348 [0,1,0,0,1,0|1,0,1]=4 67 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 AC-7283 [0,2,0,0,0,0|2,0,0]=4 68 B13R2.5569 O=C(O)C1=C2C=COC2=CC=C1 AC-29569 [0,0,1,1,0,0|2,0,0]=4 69 B11R1.36 O=C(C1=CC=CC=C1)C(O)O AC-20890 [0,0,1,0,1,0|1,0,0]=3 70 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 AC-105 [0,0,1,0,1,0|1,0,1]=4 71 B11R2.10 BrC1=CC2=CC=CC=C2O1 AC-26523 [1,0,0,0,1,0|2,0,0]=4 72 B11R2.10 CC1=CC2=CC=CC=C2O1 AC-37134 [1,0,0,0,1,0|2,0,0]=4