0 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 2729-1-00 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 2729-1-00H [0,0,0,0,0,0|3,0,1]=4 2 B12R1.27 CNC(=S)NCC1=CC=CC=C1 7767-1-03 [1,0,0,0,0,0|2,1,0]=4 3 B12R1.27 COC(=O)C#CC1=CC=CC=C1 2923-1-27 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.27 COC(=O)CCC1=CC=CC=C1 2723-1-38 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.27 COC(=O)COC1=CC=CC=C1 2623-1-37 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 2923-1-29 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.27 NCC(=O)OCC1=CC=CC=C1 4657-5-0Q [1,0,0,0,0,0|1,0,0]=2 8 B12R1.27 NNC(=O)OCC1=CC=CC=C1 4648-1-Y5 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 4748-5-X3 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.27 O=C(NO)OCC1=CC=CC=C1 4656-1-9J [1,0,0,0,0,0|2,0,0]=3 11 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 2607-1-S4 [1,0,0,0,0,0|1,0,1]=3 12 B14R1.756 COC(=O)C(=O)CCC1=CC=CC=C1 2729-1-X4 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.28 NCCOCC1=CC=CC=C1 4756-5-X8 [2,0,0,0,0,0|1,0,1]=4 14 B11R1.91 CC(=O)COC1=CC=CC=C1 2617-1-0W [2,0,0,0,0,0|2,0,0]=4 15 B11R1.91 NC(=O)OCC1=CC=CC=C1 4756-1-47 [2,0,0,0,0,0|1,0,0]=3 16 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 2616-5-13 [2,0,0,0,0,0|2,0,0]=4 17 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 2716-5-X4 [2,0,0,0,0,0|1,0,0]=3 18 B11R1.91 O=C(O)CCC1=CC=CC=C1 2721-1-01 [2,0,0,0,0,0|2,0,0]=4 19 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 2629-1-3N [1,1,0,0,0,0|2,0,0]=4 20 B13R1.14 O=C(CBr)NCC1=CC=C(Cl)C=C1 4648-D-0G [1,1,0,0,0,0|2,0,0]=4 21 B13R1.14 O=C(CCl)NCC1=CC=C(F)C=C1 4648-7-05 [1,1,0,0,0,0|2,0,0]=4 22 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 4658-1-0M [1,1,0,0,0,0|2,0,0]=4 23 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 6666-1-17 [1,1,0,0,0,0|2,0,0]=4 24 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 4648-1-X2 [1,1,0,0,0,0|1,0,1]=4 25 B13R1.42 N#CCC(=O)OCC1=CC=CC=C1 4637-1-P5 [1,1,0,0,0,0|0,0,1]=3 26 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 4758-5-01 [1,1,0,0,0,0|2,0,0]=4 27 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 2617-1-0Y [1,1,0,0,0,0|1,0,1]=4 28 B13R1.718 CC(CO)COCC1=CC=CC=C1 2707-1-09 [1,1,0,0,0,0|0,0,1]=3 29 B13R1.718 OCC(O)COCC1=CC=CC=C1 2707-1-16 [1,1,0,0,0,0|1,0,1]=4 30 B13R1.133 CC(Br)C(=O)NC1=CC=C(F)C=C1 4648-B-14 [0,1,0,0,1,0|2,0,0]=4 31 B13R1.353 CC(C)(C)C(=O)NC1=CC=CC=C1 4648-1-21 [0,1,0,0,1,0|1,0,0]=3 32 B13R1.353 CC(C)(C)C(=O)NC1=CC=NC=C1 4H48-1-7L [0,1,0,0,1,0|2,0,0]=4 33 B13R1.353 O=C(CC1=CC=CC=C1)C(F)(F)F 2717-3-02 [0,1,0,0,1,0|2,0,0]=4 34 B13R1.353 O=C(OC1=CC=CC=C1)C(F)(F)F 2623-3-01 [0,1,0,0,1,0|2,0,0]=4 35 B15R1.741 C[C@H](CO)NC(=O)OCC1=CC=CC=C1 4158-1-R3 [0,1,0,0,0,1|0,0,0]=2 36 B15R1.826 COCC(N)C(=O)NCC1=CC=CC=C1 4648-1-6Q [0,2,0,0,0,0|2,0,0]=4 37 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 4H48-1-FA [1,0,0,1,0,0|2,0,0]=4 38 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 4H56-1-S6 [1,0,0,1,0,0|2,0,0]=4 39 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 G311-A-06 [1,0,0,1,0,0|2,0,0]=4 40 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 2609-1-S0 [1,0,0,1,0,0|1,0,1]=4 41 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 2609-1-R0 [1,0,0,1,0,0|1,0,1]=4 42 B13R2.359 CC1=NC2=CC=CC=C2C1(C)C 3H32-1-5H [0,0,0,1,1,0|2,0,0]=4 43 B13R2.369 CC1OC2=CC=CC=C2NC1=O 4H48-1-QR [0,0,0,1,1,0|2,0,0]=4 44 B13R2.435 CC(C)C1=NC2=CC=CC=C2N1 3H32-1-Q7 [0,0,0,1,1,0|2,0,0]=4 45 B11R1.40 CNC(=O)CC1=CC=CC=C1 4748-1-18 [1,0,0,0,1,0|1,0,0]=3 46 B11R1.40 COC(=O)CC1=CC=CC=N1 4H23-1-DA [1,0,0,0,1,0|2,0,0]=4 47 B11R1.40 COC(=O)CC1=CC=NC=C1 4H23-1-ML [1,0,0,0,1,0|2,0,0]=4 48 B11R1.40 COC(=O)NC1=CC=CC=C1 4656-1-9T [1,0,0,0,1,0|2,0,0]=4 49 B11R1.40 NNC(=O)CC1=CC=CC=C1 4648-1-76 [1,0,0,0,1,0|2,0,0]=4 50 B11R1.40 O=C(CCl)NC1=CC=CC=C1 4648-5-Y6 [1,0,0,0,1,0|2,0,0]=4 51 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 2617-9-39 [0,0,0,0,2,0|1,0,0]=3 52 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 2617-1-1L [0,0,0,0,2,0|0,0,0]=2 53 B11R1.36 O=C(C1=CC=CC=C1)C(F)F 2617-3-32 [0,0,0,0,2,0|2,0,0]=4