0 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 4658-1-0M [0,0,0,0,0,0|1,0,1]=2 1 B13R1.42 CCOC(=O)COC1=CC=CN=C1 4H23-1-HC [0,0,0,0,0,0|2,0,1]=3 2 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 6666-1-17 [0,0,0,0,0,0|1,0,1]=2 3 B13R1.42 O=C(\C=C\C1=CC=CC=C1)N=C=S 8968-1-01 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.27 COC(=O)C#CC1=CC=CC=C1 2923-1-27 [1,0,0,0,0,0|0,0,2]=3 5 B12R1.27 COC(=O)CCC1=CC=CC=C1 2723-1-38 [1,0,0,0,0,0|0,0,2]=3 6 B12R1.27 COC(=O)COC1=CC=CC=C1 2623-1-37 [1,0,0,0,0,0|1,0,1]=3 7 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 2923-1-29 [1,0,0,0,0,0|0,0,0]=1 8 B12R1.27 NCC(=O)OCC1=CC=CC=C1 4657-5-0Q [1,0,0,0,0,0|2,0,1]=4 9 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 4748-5-X3 [1,0,0,0,0,0|2,0,1]=4 10 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 2729-1-X2 [0,1,0,0,0,0|0,0,1]=2 11 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=N1 4H29-1-Y5 [0,1,0,0,0,0|1,0,1]=3 12 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 4H29-1-X1 [0,1,0,0,0,0|1,0,1]=3 13 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 4658-1-5A [0,1,0,0,0,0|0,0,2]=3 14 B14R1.60 [C@H](N)(CC1=CC=CC=C1)C(=O)OCC 4758-5-26 [0,1,0,0,0,0|0,0,2]=3 15 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 4656-9-X1 [0,1,0,0,0,0|2,0,1]=4 16 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 2729-1-X3 [0,1,0,0,0,0|0,0,2]=3 17 B14R1.502 CCOC(=O)CNC1=CC=C(I)C=C1 4658-H-X1 [0,1,0,0,0,0|1,0,1]=3 18 B14R1.502 CCOC(=O)COC1=CC=C(Br)C=C1 2623-9-X6 [0,1,0,0,0,0|1,0,1]=3 19 B14R2.203 COC1=C(Br)C=CC2=CC=CC=C21 2607-B-4H [0,0,0,1,0,0|3,0,0]=4 20 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 4H56-1-UW [0,0,0,1,0,0|2,0,1]=4 21 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 4H56-1-572 [0,0,0,1,0,0|2,0,1]=4 22 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 2H26-1-Y1 [0,0,0,1,0,0|1,0,1]=3 23 B12R1.32 CCNC(=S)NC1=CC=CC=C1 7767-1-17 [0,0,0,0,1,0|2,1,0]=4 24 B12R1.32 CCOC(=O)CC1=CC=CC=C1 2723-1-01 [0,0,0,0,1,0|0,0,1]=2 25 B12R1.32 CCOC(=O)NC1=CC=CC=C1 4656-1-66 [0,0,0,0,1,0|1,0,0]=2 26 B11R1.28 O\N=C\C=C\C1=CC=CC=C1 4947-1-X0 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.91 CC(=O)COC1=CC=CC=C1 2617-1-0W [2,0,0,0,0,0|1,0,1]=4 28 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 4648-1-1V [2,0,0,0,0,0|1,0,0]=3 29 B11R1.91 O=C(O)CCC1=CC=CC=C1 2721-1-01 [2,0,0,0,0,0|0,0,2]=4 30 B11R1.91 O=C(O)COC1=CC=CC=C1 2621-1-02 [2,0,0,0,0,0|1,0,1]=4 31 B11R1.91 O=C(O)\C=C\C1=CC=CC=N1 4H21-1-H5 [2,0,0,0,0,0|1,0,0]=3 32 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 4H21-1-H6 [2,0,0,0,0,0|1,0,0]=3 33 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 4H21-1-H7 [2,0,0,0,0,0|1,0,0]=3 34 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 6960-1-X3 [2,0,0,0,0,0|1,0,1]=4 35 B13R1.11 COC(=O)CC(=O)C1=CC=CN=C1 4H56-1-1Y [1,1,0,0,0,0|1,0,1]=4 36 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 2629-1-3N [1,1,0,0,0,0|0,0,2]=4 37 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 2923-9-X1 [1,1,0,0,0,0|0,0,0]=2 38 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 2921-5-11 [1,1,0,0,0,0|0,0,0]=2 39 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 2929-1-X3 [1,1,0,0,0,0|0,0,0]=2 40 B13R1.15 COC(=O)\C=C\C1=CC=CC(F)=C1 2924-3-03 [1,1,0,0,0,0|0,0,0]=2 41 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 4758-5-01 [1,1,0,0,0,0|0,0,2]=4 42 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 2723-9-X2 [0,1,0,0,1,0|0,0,1]=3 43 B13R1.19 CCOC(=O)CC1=CC=C(C)C=C1 2723-1-12 [0,1,0,0,1,0|0,0,1]=3 44 B13R1.19 CCOC(=O)CC1=CC=C(I)C=C1 2623-H-00 [0,1,0,0,1,0|0,0,1]=3 45 B13R1.19 CCOC(=O)CC1=CC=C(N)C=C1 4758-1-X8 [0,1,0,0,1,0|0,0,1]=3 46 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 2729-1-11 [0,1,0,0,1,0|0,0,1]=3 47 B13R1.19 CCOC(=O)NC1=CC=C(Cl)C=C1 4656-5-08 [0,1,0,0,1,0|1,0,0]=3 48 B13R1.20 CCOC(=O)CC1=CC(Cl)=CC=C1 2623-5-0Q [0,1,0,0,1,0|0,0,1]=3 49 B13R1.20 CCOC(=O)CC1=CC=CC(Br)=C1 2623-9-0J [0,1,0,0,1,0|0,0,1]=3 50 B13R1.47 CCOC(=O)C(C)C1=CC=CC=C1 2723-1-X5 [0,1,0,0,1,0|0,0,1]=3 51 B13R1.47 CCOC(=O)C(N)C1=CC=CC=C1 4658-5-X8 [0,1,0,0,1,0|0,0,1]=3 52 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 2617-1-0Y [0,1,0,0,1,0|1,0,1]=4 53 B13R1.470 CCOC(=O)CC1=CC=CC=C1F 2723-3-01 [0,1,0,0,1,0|0,0,1]=3 54 B13R1.33 CCOC(=O)CC(=O)C1=CC=CO1 2H29-1-X1 [0,1,0,0,1,0|1,0,1]=4 55 B13R1.33 CCOC(=O)CC(=O)C1=CC=CS1 6H66-1-46 [0,1,0,0,1,0|1,0,1]=4 56 B13R1.33 CCOC(=O)CC(=O)C1=COC=C1 2H29-1-37 [0,1,0,0,1,0|1,0,1]=4 57 B15R1.11 CCOC(=O)CCNC1=CC=C(F)C=C1 4657-3-07 [0,1,0,0,0,1|0,0,2]=4 58 B15R1.807 CCOC(=O)CS(=O)(=O)C1=CC=CC=C1 2663-1-X1 [0,2,0,0,0,0|1,0,1]=4 59 B15R1.1002 COC(=O)C(=O)\C=C\C1=CC=CC(Br)=C1 2929-9-01 [0,2,0,0,0,0|2,0,0]=4 60 B15R1.10390 CCOC(=O)CNC1=CC(Cl)=C(F)C=C1 4658-3-W1 [0,2,0,0,0,0|1,0,1]=4 61 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(F)C=C1 4648-3-84 [0,2,0,0,0,0|1,0,0]=3 62 B15R1.640 CCOC(=O)\C(C#N)=C\C1=CC=CN=C1 4H37-1-Q5 [0,2,0,0,0,0|1,0,0]=3 63 B13R1.464 CCOC(=O)C1=CC=CC=C1CBr 2723-9-X4 [0,0,1,1,0,0|1,0,1]=4 64 B13R1.446 CCOC(=O)C1=C(N)C=CC(C)=C1 4758-1-1U [0,0,1,1,0,0|1,0,1]=4 65 B13R1.446 CCOC(=O)C1=CC(Br)=CC=C1Cl 2623-D-X1 [0,0,1,1,0,0|2,0,0]=4 66 B13R1.446 CCOC(=O)C1=CC(Br)=CC=C1F 2623-B-0M [0,0,1,1,0,0|2,0,0]=4 67 B13R1.446 CCOC(=O)C1=CC(Cl)=CC=C1F 2623-7-09 [0,0,1,1,0,0|2,0,0]=4 68 B13R1.446 CCOC(=O)C1=CC(F)=CC=C1Br 2623-B-32 [0,0,1,1,0,0|2,0,0]=4 69 B13R1.446 CCOC(=O)C1=CC(F)=CC=C1N 4630-3-1K [0,0,1,1,0,0|2,0,0]=4 70 B13R1.446 CCOC(=O)C1=CC(I)=CC=C1N 4658-H-X0 [0,0,1,1,0,0|2,0,0]=4 71 B13R2.1613 CNC1=CC=CC2=CC=CC=C21 3631-1-0L [1,0,0,1,0,0|2,0,0]=4 72 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 4H30-1-W6 [1,0,0,1,0,0|2,0,0]=4 73 B13R2.10 O=C1CC(C2=CC=CC=C2)=NO1 4H56-1-UC [1,0,0,1,0,0|1,0,1]=4 74 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 4H56-1-S6 [1,0,0,1,0,0|1,0,1]=4 75 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 G311-A-06 [1,0,0,1,0,0|1,0,1]=4 76 B13R2.32 O=C1C=CC2=CC=CC=C2C1=O 2618-1-04 [1,0,0,1,0,0|1,0,1]=4 77 B13R2.57 BrCC1=CC2=CC=CC=C2C=C1 1700-9-Z8 [1,0,0,1,0,0|2,0,0]=4 78 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 3H32-9-U1 [1,0,0,1,0,0|2,0,0]=4 79 B13R2.57 COC1=CC2=CC=CC=C2C=C1 2607-1-0R [1,0,0,1,0,0|1,0,0]=3 80 B13R2.57 COC1=CC2=CC=CN=C2C=C1 4H07-1-Y7 [1,0,0,1,0,0|2,0,0]=4 81 B13R2.57 COC1=CC2=CC=NC=C2C=C1 4656-1-Z9 [1,0,0,1,0,0|2,0,0]=4 82 B13R2.57 COC1=CC2=CN=CC=C2C=C1 4656-1-Z8 [1,0,0,1,0,0|2,0,0]=4 83 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 3H32-5-P7 [1,0,0,1,0,0|2,0,0]=4 84 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 3H30-5-U3 [1,0,0,1,0,0|2,0,0]=4 85 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 2601-1-11 [1,0,0,1,0,0|2,0,0]=4 86 B13R2.57 OCC1=NC2=CC=CC=C2C=C1 4H01-1-T3 [1,0,0,1,0,0|2,0,0]=4 87 B13R2.135 CCN1C(C)=CC2=CC=CC=C21 3H32-1-JC [0,0,0,1,1,0|2,0,0]=4 88 B15R2.73 CCOC(=O)C1=C2C=CC=CN2N=C1 4H23-1-T2 [0,0,0,1,0,1|1,0,0]=3 89 B15R2.73 CCOC(=O)C1=NNC2=CC=CC=C21 4H23-1-3T [0,0,0,1,0,1|1,0,0]=3 90 B15R2.38 O=C1CCCC\C1=C\C2=CC=CC=C2 2917-1-04 [0,1,0,1,0,0|1,0,0]=3 91 B15R2.1356 CCOC(=O)C1=CC2=CC=CC=C2N1 4H56-1-2P [0,1,0,1,0,0|0,0,0]=2 92 B15R2.1356 CCOC(=O)C1=CC2=CC=CC=C2O1 2H23-1-X1 [0,1,0,1,0,0|0,0,0]=2 93 B15R2.1356 CCOC(=O)C1=CC2=CC=CN=C2N1 4H23-1-Y7 [0,1,0,1,0,0|1,0,0]=3 94 B15R2.1356 CCOC(=O)C1=CC2=CC=CN=C2S1 8H70-1-U3 [0,1,0,1,0,0|1,0,0]=3 95 B15R2.1356 CCOC(=O)C1=CN2C=CC=CC2=N1 4H23-1-20 [0,1,0,1,0,0|1,0,0]=3 96 B15R2.1356 CCOC(=O)C1=CN2C=CC=NC2=N1 4H23-1-6E [0,1,0,1,0,0|2,0,0]=4 97 B15R2.1356 CCOC(=O)C1=NC2=CC=CC=C2S1 8H70-1-Q6 [0,1,0,1,0,0|1,0,0]=3 98 B15R2.1282 CCOC1=CC=C2C=CC(=O)OC2=C1 2H25-1-X2 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.40 CNC(=O)CC1=CC=CC=C1 4748-1-18 [1,0,0,0,1,0|1,0,1]=4 100 B11R1.40 COC(=O)CC1=CC=CC=N1 4H23-1-DA [1,0,0,0,1,0|1,0,1]=4 101 B11R1.40 COC(=O)CC1=CC=NC=C1 4H23-1-ML [1,0,0,0,1,0|1,0,1]=4 102 B11R1.40 COC(=O)NC1=CC=CC=C1 4656-1-9T [1,0,0,0,1,0|1,0,0]=3 103 B11R1.40 O=C(CCl)NC1=CC=CC=C1 4648-5-Y6 [1,0,0,0,1,0|2,0,0]=4 104 B11R1.16 CCOC(=O)C1=CC=CC=N1 4H23-1-1N [0,0,0,0,2,0|1,0,0]=3 105 B11R1.16 CCOC(=O)C1=CC=NC=C1 4H56-1-6U [0,0,0,0,2,0|1,0,0]=3 106 B11R1.16 CCOC(=O)C1=NC=CN=C1 4H23-1-3E [0,0,0,0,2,0|2,0,0]=4 107 B11R1.16 O=C(CCCl)C1=CC=CC=C1 2617-5-X6 [0,0,0,0,2,0|2,0,0]=4 108 B11R1.16 O=C(CCCl)C1=CC=CC=C1 2617-5-Y0 [0,0,0,0,2,0|2,0,0]=4 109 B11R1.16 O=C(OCCl)C1=CC=CC=C1 2623-5-02 [0,0,0,0,2,0|1,0,0]=3