0 B13R1.42 C=COC(=O)\C=C\C1=CC=CC=C1 2624-1-03 [1,0,0,0,0,0|0,0,2]=3 1 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 2923-1-04 [1,0,0,0,0,0|0,0,2]=3 2 B13R1.42 CCOC(=O)C#CC1=CC=NC=C1 4H23-1-FV [1,0,0,0,0,0|1,0,2]=4 3 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 2723-1-24 [1,0,0,0,0,0|0,0,2]=3 4 B13R1.42 CCOC(=O)CCC1=CC=CC=N1 4H23-1-H0 [1,0,0,0,0,0|1,0,2]=4 5 B13R1.42 CCOC(=O)COC1=CC=CC=C1 2623-1-3W [1,0,0,0,0,0|1,0,1]=3 6 B13R1.337 CC(=O)\C=C\C=C\C1=CC=CC=C1 2917-1-34 [1,0,0,0,0,0|2,0,1]=4 7 B15R1.741 CC(CO)NC(=O)OCC1=CC=CC=C1 4656-1-8U [0,1,0,0,0,0|2,0,1]=4 8 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 4158-1-S3 [0,1,0,0,0,0|2,0,1]=4 9 B15R1.3465 CC(C)(C)OC(=O)COC1=CC=CN=C1 4H23-1-MH [0,1,0,0,0,0|2,0,1]=4 10 B15R1.3465 CC(C)(C)OC(=O)NCC1=CC=CN=C1 4H56-1-0A5 [0,1,0,0,0,0|2,0,1]=4 11 B15R2.325 CC1=N\C(=C\C2=CC=CN=C2)C(=O)O1 4H56-1-490 [0,0,0,1,0,0|2,0,1]=4 12 B15R2.327 CC1(C)OC(=O)N[C@@H]1C2=CC=CC=C2 G311-A-05 [0,0,0,1,0,0|1,0,1]=3 13 B15R2.505 O=C(\C=C\C1=CC=CC=C1)C2CC2Br 2917-9-08 [0,0,0,1,0,0|2,0,0]=3 14 B15R2.1162 CC(N)C1=C(O)C=CC2=CC=CC=C21 4656-5-62 [0,0,0,1,0,0|2,0,1]=4 15 B15R2.1668 CC(=O)OC1=CC2=CC=CC=C2C=C1 2623-1-1Q [0,0,0,1,0,0|2,0,1]=4 16 B15R2.24494 O=C(CC1CC1)OCC2=CC=CC=C2 2623-1-4F [0,0,0,1,0,0|2,0,1]=4 17 B13R1.348 CC(C)NC(=O)OC1=CC=CC=C1 4656-1-G3 [0,0,0,0,1,0|2,0,0]=3 18 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 4658-5-S4 [0,0,0,0,1,0|2,0,1]=4 19 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 2629-1-S4 [0,0,0,0,1,0|2,0,1]=4 20 B13R1.351 O=C(O)C(=O)\C=C\C1=CC=CC=C1 2929-1-28 [0,0,0,0,1,0|2,0,1]=4 21 B12R1.27 COC(=O)CSC1=CC=CC=C1 6666-1-25 [2,0,0,0,0,0|1,0,1]=4 22 B12R1.27 COC(=O)\C=C\C1=CN=CC=C1 4H24-1-00 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.27 N#CC(=O)\C=C\C1=CC=CC=C1 4646-1-X0 [2,0,0,0,0,0|1,0,1]=4 24 B14R1.29 CCOC(=O)CC(=O)C1=CC=CN=C1 4H58-1-9C [1,1,0,0,0,0|1,0,1]=4 25 B14R1.29 CCOC(=O)CC(Cl)C1=CC=CC=C1 2623-5-44 [1,1,0,0,0,0|0,0,2]=4 26 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 4658-5-23 [1,1,0,0,0,0|0,0,2]=4 27 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 2629-1-U5 [1,1,0,0,0,0|0,0,2]=4 28 B14R1.29 CCOC(=O)C[C@H](O)C1=CC=CC=C1 2629-1-77 [1,1,0,0,0,0|0,0,2]=4 29 B14R1.29 CCOC(=O)N[C@@H](C)C1=CC=CC=C1 4656-1-SH [1,1,0,0,0,0|1,0,1]=4 30 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 2623-1-3Y [1,1,0,0,0,0|0,0,0]=2 31 B14R1.32 CCOC(=O)CCC1=CC=CC(O)=C1 2623-1-4B [1,1,0,0,0,0|0,0,2]=4 32 B14R1.32 CCOC(=O)CNC1=CC(F)=CC=C1 4658-3-1E [1,1,0,0,0,0|1,0,1]=4 33 B14R1.32 CCOC(=O)COC1=CC=CC(F)=C1 2623-3-0A [1,1,0,0,0,0|1,0,1]=4 34 B14R1.32 CCOC(=O)COC1=CC=CC(I)=C1 2623-H-07 [1,1,0,0,0,0|1,0,1]=4 35 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(N)=C1 4630-1-E0 [1,1,0,0,0,0|0,0,0]=2 36 B14R1.156 C=CCOC(=O)\C=C\C1=CC=CC=C1 2623-1-1L [1,1,0,0,0,0|0,0,1]=3 37 B14R1.502 CCOC(=O)CNC1=CC=C(Br)C=C1 4658-9-1R [1,1,0,0,0,0|1,0,1]=4 38 B14R1.502 CCOC(=O)CSC1=CC=C(C)C=C1 6666-1-0C [1,1,0,0,0,0|1,0,1]=4 39 B14R1.502 CCOC(=O)CSC1=CC=C(Cl)C=C1 6666-5-07 [1,1,0,0,0,0|1,0,1]=4 40 B14R1.502 CCOC(=O)\C=C\C1=CC=C(F)C=C1 2624-3-00 [1,1,0,0,0,0|0,0,0]=2 41 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)C=C1 4958-1-02 [1,1,0,0,0,0|0,0,0]=2 42 B14R1.502 CCOC(=O)\C=C\C1=CN=C(N)C=C1 4H30-1-BT [1,1,0,0,0,0|1,0,0]=3 43 B14R1.598 CCOC(=O)COC1=CC=CC=C1O 2629-1-2R [1,1,0,0,0,0|1,0,1]=4 44 B14R1.598 CCOC(=O)CSC1=CC=CC=C1N 8658-1-02 [1,1,0,0,0,0|1,0,1]=4 45 B14R1.598 CCOC(=O)\C=C\C1=C(F)N=CC=C1 4H24-3-00 [1,1,0,0,0,0|1,0,0]=3 46 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1Br 2923-9-00 [1,1,0,0,0,0|0,0,0]=2 47 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1N 4630-1-2C [1,1,0,0,0,0|0,0,0]=2 48 B14R1.433 CC(C)(C)OC(=O)CC1=CC=NC=C1 4H23-1-HX [0,1,0,0,1,0|1,0,1]=4 49 B14R1.433 CC(C)(C)OC(=O)CC1=NC=CC=C1 4H23-1-HY [0,1,0,0,1,0|1,0,1]=4 50 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CC=C1 4656-1-9R [0,1,0,0,1,0|1,0,0]=3 51 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CC=N1 4H51-1-2L [0,1,0,0,1,0|2,0,0]=4 52 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CN=C1 4H56-1-09E [0,1,0,0,1,0|2,0,0]=4 53 B14R1.433 CC(C)(C)OC(=O)NC1=CC=NC=C1 4H56-1-8Y [0,1,0,0,1,0|2,0,0]=4 54 B14R1.698 CC1=CC=C(OC(=O)CC(C)C)C=C1 2723-1-1R [0,1,0,0,1,0|2,0,0]=4 55 B14R1.415 C\C(=C/C(=O)C1=CC=CC=C1)N(C)C 4636-1-E4 [0,1,0,0,1,0|2,0,0]=4 56 B14R1.3099 CC(C)(C)[S@@](=O)\N=C\C1=CC=CC=C1 8669-1-R0 [0,1,0,0,1,0|2,0,0]=4 57 B14R1.3099 CC(C)(C)[S@](=O)\N=C\C1=CC=CC=C1 8669-1-S0 [0,1,0,0,1,0|2,0,0]=4 58 B14R1.3099 CC(C)(O)C(=O)OCC1=CC=CC=C1 2629-1-3M [0,1,0,0,1,0|1,0,1]=4 59 B16R1.1061 CN(C)\C=C\C(=O)\C=C\C1=CC=C(Cl)C=C1 4956-5-10 [0,1,0,0,0,1|2,0,0]=4 60 B16R1.12547 CC(C)(C)OC(=O)CNCC1=CC=CC=C1 4758-1-0V [0,1,0,0,0,1|0,0,2]=4 61 B16R1.12572 CN(NC1=CC=CC=C1)C(=O)OC(C)(C)C 4651-1-25 [0,2,0,0,0,0|2,0,0]=4 62 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(Br)C=C1 4656-9-23 [0,2,0,0,0,0|1,0,1]=4 63 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(N)C=C1 4656-1-3G [0,2,0,0,0,0|1,0,1]=4 64 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(O)C=C1 4656-1-A0 [0,2,0,0,0,0|1,0,1]=4 65 B16R1.6742 CN(NC(=O)OC(C)(C)C)C1=CC=CC=C1 4651-1-26 [0,2,0,0,0,0|2,0,0]=4 66 B16R1.11198 CC(C)(C)OC(=O)NCC1=CC(Br)=CC=C1 4656-9-0M [0,2,0,0,0,0|1,0,1]=4 67 B14R1.6052 CC(C)OC(=O)C1=C(Cl)C=CC(N)=C1 4630-5-0M [0,0,1,1,0,0|2,0,0]=4 68 B14R1.74 CC(C)OC(=O)C1=CC=CC(C#N)=C1 4637-1-3N [0,0,1,1,0,0|1,0,1]=4 69 B14R2.21 O=C1CC(C2=CC=CC=C2)CCO1 2H25-1-77 [1,0,0,1,0,0|0,0,2]=4 70 B14R2.112 CCOC1=NC2=CC=CC=C2C=C1 4H07-1-6C [1,0,0,1,0,0|1,0,0]=3 71 B14R2.31359 CC(N)C1=CC=CC2=CC=CC=C21 3730-1-46 [1,0,0,1,0,0|2,0,0]=4 72 B14R2.31359 CN(C)C1=C2C=CC=CC2=CC=C1 3632-1-0K [1,0,0,1,0,0|2,0,0]=4 73 B14R2.31359 C[C@H](O)C1=CC=CC2=CC=CC=C21 2602-1-S3 [1,0,0,1,0,0|2,0,0]=4 74 B14R2.642 CC(C)N1C(=O)NC2=CC=CC=C21 4H53-1-1M [0,0,0,1,1,0|2,0,0]=4 75 B14R2.8189 CC1(C)CC(=O)NC2=CC=CC=C21 4H48-1-08V [0,0,0,1,1,0|2,0,0]=4 76 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O 4H17-1-62 [0,0,0,1,1,0|2,0,0]=4 77 B14R2.781 CC(N)C1=CC2=CC=CC=C2C=C1 3630-1-12 [0,0,0,1,1,0|2,0,0]=4 78 B14R2.781 CC(O)C1=CC2=CC=CC=C2C=C1 2602-1-0D [0,0,0,1,1,0|2,0,0]=4 79 B14R2.781 CN(C)C1=CC2=CC=CC=C2C=C1 3632-1-0J [0,0,0,1,1,0|2,0,0]=4 80 B14R2.781 C[C@@H](N)C1=CC2=CC=CC=C2C=C1 3630-1-R6 [0,0,0,1,1,0|2,0,0]=4 81 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 3630-1-S6 [0,0,0,1,1,0|2,0,0]=4 82 B14R2.1008 CC(C)OC1=CC=C2NC=CC2=C1 4H07-1-11 [0,0,0,1,1,0|2,0,0]=4 83 B16R2.82802 CC(C)(N)CC1=CC2=CC=CC=C2C=C1 3730-1-35 [0,1,0,1,0,0|2,0,0]=4 84 B12R1.32 CCCC(=O)CC1=CC=CC=C1 2617-1-0X [1,0,0,0,1,0|1,0,1]=4 85 B12R1.32 CCCC(=O)OC1=CC=CC=C1 2623-1-16 [1,0,0,0,1,0|2,0,0]=4 86 B12R1.32 CCOC(=O)CC1=CC=CC=N1 4H23-1-4K [1,0,0,0,1,0|1,0,1]=4 87 B12R1.32 CCOC(=O)CC1=CC=CN=C1 4H23-1-M0 [1,0,0,0,1,0|1,0,1]=4 88 B12R1.32 CCOC(=O)CC1=CC=NC=C1 4H23-1-G6 [1,0,0,0,1,0|1,0,1]=4 89 B12R1.51 CCOC(=O)\C=C\C1=CSC=C1 6H24-1-01 [1,0,0,0,1,0|1,0,0]=3 90 B12R1.43 CC(Br)C(=O)NC1=CC=CC=C1 4648-9-Y3 [0,0,0,0,2,0|2,0,0]=4 91 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 2617-1-2G [0,0,0,0,2,0|0,0,1]=3 92 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 2623-1-3U [0,0,0,0,2,0|1,0,0]=3 93 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 4648-1-4L [0,0,0,0,2,0|1,0,1]=4 94 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 4653-1-03 [0,0,0,0,2,0|2,0,0]=4 95 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 2617-1-1Z [0,0,0,0,2,0|1,0,0]=3 96 B12R1.107 CC(C)CC(=O)C1=NC=CC=C1 4H17-1-9T [0,0,0,0,2,0|2,0,0]=4 97 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 6666-3-06 [0,0,0,0,2,0|2,0,0]=4 98 B14R1.520 CCOC(=O)CCNC1=CC=CC=C1 4658-1-19 [1,0,0,0,0,1|0,0,2]=4 99 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 4758-1-20 [1,0,0,0,0,1|0,0,2]=4 100 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 4656-1-9Q [1,0,0,0,0,1|0,0,2]=4