0 B14R2.19 NC1=NN=C(CC2=CC=CC=C2)O1 B8030 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.19 NC1=NNC(CC2=CC=CC=C2)=C1 B14495 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.19 NC1=NNC(CC2=CC=CC=C2)=C1 B14495 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.19 N[C@@H]1CCN(CC2=CC=CC=C2)C1 B3039 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.19 N[C@H]1CCN(CC2=CC=CC=C2)C1 B6037 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,0,0,0,0,0|1,0,1]=2 6 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,0,0,0,0,0|1,0,1]=2 7 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,0,0,0,0,0|1,0,1]=2 8 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,0,0,0,0,0|1,0,1]=2 9 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 B8746 [0,0,0,0,0,0|1,0,1]=2 10 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 B9424 [0,0,0,0,0,0|1,1,1]=3 11 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 B8747 [0,0,0,0,0,0|1,0,1]=2 12 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CS1 B9425 [0,0,0,0,0,0|1,1,1]=3 13 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 B15290 [1,0,0,0,0,0|1,0,2]=4 14 B13R2.64 C1=CC=C(CN2CC=CC2)C=C1 B16950 [1,0,0,0,0,0|3,0,0]=4 15 B15R2.98 NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 A3075 [0,1,0,0,0,0|1,0,1]=3 16 B15R2.325 O=C1N[C@@H](CC2=CC=CC=C2)C(=O)O1 B8643 [0,1,0,0,0,0|1,0,2]=4 17 B15R2.325 O=C1N[C@H](CC2=CC=CC=C2)C(=O)O1 B8644 [0,1,0,0,0,0|1,0,2]=4 18 B13R1.337 N=C(N)CCCOC1=CC=CC=C1 P16901 [0,0,1,0,0,0|2,0,0]=3 19 B13R1.337 N=C(N)CCOCC1=CC=CC=C1 B15807 [0,0,1,0,0,0|2,0,0]=3 20 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 P8178 [0,0,1,0,0,0|1,0,0]=2 21 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 P8178 [0,0,1,0,0,0|1,0,0]=2 22 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 H9711 [0,0,1,0,0,0|3,0,0]=4 23 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 A9710 [0,0,1,0,0,0|3,0,0]=4 24 B13R2.10 NC1=NSC(C2=CC=CC=C2)=N1 P8100 [0,0,0,0,1,0|2,0,1]=4 25 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P5888 [0,0,0,0,1,0|1,0,1]=3 26 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [0,0,0,0,1,0|1,0,1]=3 27 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [0,0,0,0,1,0|1,0,1]=3 28 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 P8185 [0,0,0,0,1,0|1,0,1]=3 29 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 P8825 [0,0,0,0,1,0|1,1,1]=4 30 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 P8186 [0,0,0,0,1,0|1,0,1]=3 31 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P8826 [0,0,0,0,1,0|1,1,1]=4 32 B15R2.31 NC1=NC(CC2=CC=CC=C2)=CC=C1 A14519 [0,0,0,0,0,1|1,0,2]=4 33 B12R1.118 CNC(CO)CC1=CC=CC=C1 M7684 [1,0,1,0,0,0|0,0,2]=4 34 B12R1.118 CNC(CO)CC1=CC=CC=C1 M9105 [1,0,1,0,0,0|0,0,2]=4 35 B16R2.40 NCC1=CC=C(C[C@@H]2COC(=O)N2)C=C1 A18664 [0,2,0,0,0,0|1,0,1]=4 36 B16R2.40 NNC1=CC=C(C[C@H]2COC(=O)N2)C=C1 H9333 [0,2,0,0,0,0|1,0,1]=4 37 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A5988 [0,0,1,0,1,0|2,0,0]=4 38 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O P0823 [0,0,1,0,1,0|2,0,0]=4 39 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 P7705 [0,0,1,0,1,0|2,0,0]=4 40 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H7711 [0,0,1,0,1,0|2,0,0]=4 41 B12R1.27 CCC(=O)CCC1=CC=CC=C1 P7542 [0,0,1,0,1,0|2,0,0]=4 42 B14R1.422 N=C(N)CCCOCC1=CC=CC=C1 B15739 [0,0,1,0,0,1|1,0,0]=3