0 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 4656-1-46 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.16 N#CCC(O)C1=CC=CC=C1 4637-1-X0 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 2602-5-04 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 2617-9-39 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 2617-1-1L [1,0,0,0,0,0|0,0,2]=3 5 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 4648-1-13 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 4648-1-S0 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 4648-1-R0 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.36 [C@H](O)(C(=O)O)C1=CC=CC=C1 2629-1-Z6 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.40 CC(CN)OC1=CC=CC=C1 4630-5-05 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.40 CNC(=O)CC1=CC=CC=C1 4748-1-18 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.40 CNC(=S)NC1=CC=CC=C1 7667-1-07 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.40 N=C(CC1=CC=CC=C1)NO 4647-1-20 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.40 NNC(=O)CC1=CC=CC=C1 4648-1-76 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 4756-1-53 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.21 COC(=O)C(O)C1=CC=C(Cl)C=C1 2629-5-51 [0,1,0,0,0,0|2,0,1]=4 16 B13R2.32 CC1CCC2=CC=CC=C2C1=O 2617-1-2L [0,0,0,1,0,0|1,0,2]=4 17 B10R1.15 CC(CN)C1=CC=CC=C1 3730-1-Z4 [2,0,0,0,0,0|1,0,0]=3 18 B10R1.15 C[C@H](NO)C1=CC=CC=C1 4647-1-S0 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.15 NCC(O)C1=CC=CC=C1 4656-1-T1 [2,0,0,0,0,0|0,0,0]=2 20 B10R1.15 NCC(O)C1=CC=CN=C1 4H56-5-Q3 [2,0,0,0,0,0|1,0,0]=3 21 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 4656-1-R1 [2,0,0,0,0,0|0,0,0]=2 22 B10R1.15 NC[C@H](O)C1=CC=CC=C1 4656-1-S1 [2,0,0,0,0,0|0,0,0]=2 23 B10R1.15 N[C@H](CO)C1=CC=CC=C1 4656-1-S3 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 2604-1-S1 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 2602-5-S1 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.15 [C@H](C)(CN)C1=CC=CC=C1 3730-1-Y2 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 4630-1-V2T [2,0,0,0,0,0|2,0,0]=4 28 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 4656-1-V2 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.17 BrCCCC1=CC=CC=C1 1700-9-Z5 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.17 CCNCC1=CC=CC=C1 3731-1-04 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.17 CNCCC1=CC=CC=N1 3H31-1-Q6 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.17 COCSC1=CC=CC=C1 6666-1-0Q [2,0,0,0,0,0|2,0,0]=4 33 B10R1.17 NCCCC1=CC=CC=C1 3H30-1-H6 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.18 CC(C)CC1=CC=CC=C1 1700-1-X0 [2,0,0,0,0,0|0,0,0]=2 35 B10R1.18 CC(C)OC1=CC=CC=C1 2607-1-10 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.18 CC(C)SC1=CC=CC=C1 5666-1-X2 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.18 CN(C)CC1=CC=CC=C1 3632-1-07 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.18 NC(=O)CC1=CC=CC=C1 4748-1-X7 [2,0,0,0,0,0|1,0,1]=4 39 B10R1.18 NC(=S)CC1=CC=CC=C1 7667-1-41 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 3732-1-X7 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.20 CC(C)C(=O)C1=CC=C(F)C=C1 2617-3-Y9 [1,1,0,0,0,0|0,0,2]=4 42 B12R1.225 CC(C)C(=O)C1=CC=CC(Br)=C1 2617-9-25 [1,1,0,0,0,0|0,0,2]=4 43 B12R1.478 CN(C)C(C#N)C1=CC=CC=C1 3637-5-0A [1,1,0,0,0,0|2,0,0]=4 44 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 3730-1-X7 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.564 CC(C)(C)C(=O)C1=CC=CC=C1 2617-1-Y2 [1,1,0,0,0,0|0,0,2]=4 46 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 3630-1-0L [1,1,0,0,0,0|1,0,0]=3 47 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 2620-1-06 [1,1,0,0,0,0|0,0,2]=4 48 B12R1.564 OC(C1=CC=CC=C1)C(F)(F)F 2602-3-16 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.564 O[C@H](C1=CC=CC=C1)C(F)(F)F 2602-3-RBT [1,1,0,0,0,0|2,0,0]=4 50 B12R1.32 CN(CCN)CC1=CC=CC=C1 3732-1-03 [1,1,0,0,0,0|2,0,0]=4 51 B12R2.2 C1=CC=C(C2CCCN2)C=C1 P911-A-43 [1,0,0,1,0,0|2,0,0]=4 52 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 3730-1-S1 [1,0,0,1,0,0|2,0,0]=4 53 B12R2.1081 OC1CCCC2=C1N=CC=C2 4H01-1-CP [1,0,0,1,0,0|2,0,0]=4 54 B12R2.1081 OC1CCCC2=CC=CC=C21 2702-1-00 [1,0,0,1,0,0|1,0,0]=3 55 B12R2.1081 OC1CCOC2=CC=CC=C21 2H02-1-07 [1,0,0,1,0,0|2,0,0]=4 56 B12R2.18 CC1CC2=CC=CC=C2C1=O 2717-1-19 [1,0,0,1,0,0|0,0,2]=4 57 B12R2.18 NC1C2=CC=CC=C2CC1O 4656-1-93 [1,0,0,1,0,0|2,0,0]=4 58 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@@H]1O 4656-1-4B [1,0,0,1,0,0|2,0,0]=4 59 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O 4756-1-S1 [1,0,0,1,0,0|2,0,0]=4 60 B12R2.18 OC1C2=CC=CC=C2CC1Br 2702-9-X0 [1,0,0,1,0,0|1,0,0]=3 61 B12R2.18 [C@H]1(O)CC2=CC=CC=C2[C@H]1N 4H56-1-3Y [1,0,0,1,0,0|2,0,0]=4 62 B12R2.24 OC1CCC2=CC=CC=C2C1 2602-1-08 [1,0,0,1,0,0|2,0,0]=4 63 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 4H56-1-UW [0,1,0,1,0,0|0,0,1]=3 64 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 4H56-1-572 [0,1,0,1,0,0|0,0,1]=3 65 B12R1.27 CC(CO)NCC1=CC=CC=C1 4656-1-AA [1,0,0,0,0,1|2,0,0]=4 66 B12R1.27 CNC(=S)NCC1=CC=CC=C1 7767-1-03 [1,0,0,0,0,1|1,0,1]=4