0 B12R1.32 NCC[C@H](F)CC1=CC=CC=C1 D76607 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.28 O=CCCCC1=CC=NC=C1 P16930 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 D76472 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6790 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6791 [1,0,0,0,0,0|2,0,1]=4 5 B13R2.15 CC1CCNC1C2=CC=CC=C2 E73234 [0,0,0,1,0,0|2,0,1]=4 6 B13R2.31 NC1CC(CC2=CC=CC=C2)C1 67221 [0,0,0,1,0,0|2,0,1]=4 7 B13R2.31 O=C1C[C@H](SC2=CC=CC=C2)N1 P12916 [0,0,0,1,0,0|1,0,0]=2 8 B13R2.328 CC1CC2=C(C=CC=C2)C(C)N1 AT22656 [0,0,0,1,0,0|1,0,1]=3 9 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [2,0,0,0,0,0|1,0,1]=4 10 B12R1.8 C#CCNCCC1=CC=CC=C1 D75664 [1,1,0,0,0,0|1,0,1]=4 11 B12R1.43 N[13C@@H](CC1=CC=CC=C1)C(=O)O D98682 [1,1,0,0,0,0|1,0,0]=3 12 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11623 [0,1,0,0,1,0|0,0,0]=2 13 B14R1.156 O=CCNC(=O)OCC1=CC=CC=C1 AT22787 [0,1,0,0,0,1|1,0,1]=4 14 B14R1.698 CC(C)N[C@@H](C)CC1=CC=C(Br)C=C1 A10375 [0,2,0,0,0,0|1,0,1]=4 15 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 AC6182 [0,2,0,0,0,0|2,0,0]=4 16 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 AC3569 [0,2,0,0,0,0|2,0,0]=4 17 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(F)C=C1 AC6608 [0,2,0,0,0,0|2,0,0]=4 18 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(I)C=C1 AC4113 [0,2,0,0,0,0|2,0,0]=4 19 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(O)C=C1 FD10308 [0,2,0,0,0,0|2,0,0]=4 20 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC(O)=CC=C1 AC3985 [0,2,0,0,0,0|2,0,0]=4 21 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Br)=C1 AC7261 [0,2,0,0,0,0|2,0,0]=4 22 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Cl)=C1 AC3585 [0,2,0,0,0,0|2,0,0]=4 23 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(F)=C1 AC3118 [0,2,0,0,0,0|2,0,0]=4 24 B14R1.337 CC1=C(C[C@@H](N)CC(=O)O)C=CC=C1 AC3565 [0,2,0,0,0,0|2,0,0]=4 25 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Br)C=CC=C1 AC3578 [0,2,0,0,0,0|2,0,0]=4 26 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Cl)C=CC=C1 AC3566 [0,2,0,0,0,0|2,0,0]=4 27 B14R1.337 N[C@@H](CC(=O)O)CC1=C(F)C=CC=C1 AC3575 [0,2,0,0,0,0|2,0,0]=4 28 B14R1.337 N[C@@H](CC(=O)O)CC1=C(O)C=CC=C1 AC4115 [0,2,0,0,0,0|2,0,0]=4 29 B12R2.1 O=C[C@@H]1COC2=C1C=CC=C2 AT24011 [1,0,0,1,0,0|2,0,0]=4 30 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16102 [1,0,0,1,0,0|1,0,1]=4 31 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16103 [1,0,0,1,0,0|1,0,1]=4 32 B12R2.22 O=C1CC(C2=CC=NC=C2)C1 F53800 [0,0,0,1,1,0|2,0,0]=4 33 B14R2.21 C[C@H]1CN(C2=CC=CC=C2)CCN1 AT25536 [0,0,0,1,0,1|1,0,1]=4 34 B14R2.21 C[C@H]1CN(C2=CC=CC=C2)CCN1 AT25537 [0,0,0,1,0,1|1,0,1]=4 35 B14R2.9057 O=C1CC(OC2=CC=CC(Br)=C2)C1 P13020 [0,1,0,1,0,0|2,0,0]=4 36 B14R2.29365 C[C@H]1CC2=C(C=CC(Br)=C2)C(=O)N1 O11545 [0,1,0,1,0,0|0,0,0]=2 37 B14R2.114 O[C@H](C1=CC=CC=C1)[C@@H]2CCCN2 D74798 [0,1,0,1,0,0|1,0,1]=4 38 B14R2.114 O[C@H](C1=CC=CC=C1)[C@@H]2CCCN2 D77053 [0,1,0,1,0,0|1,0,1]=4 39 B14R2.790 O=C(O)C[C@H]1C[C@@H]1C2=CC=CC=C2 E73141 [0,1,0,1,0,0|1,0,0]=3 40 B14R2.8189 C[C@H]1NC2=C(C=CC=C2)S(=O)(=O)N1 D74067 [0,1,0,1,0,0|2,0,0]=4 41 B14R2.29496 CC1(C)CC(=O)C2=C(C=CC=C2)S1 E73136 [0,1,0,1,0,0|2,0,0]=4 42 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 C12342 [1,0,0,0,1,0|1,0,1]=4 43 B10R1.15 CN[C@@H](C)C1=CC=NC=C1 AT18142 [1,0,0,0,1,0|1,0,1]=4 44 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [1,0,0,0,1,0|2,0,0]=4