0 B12R2.252 O=C(O)C1=CC2=C(N=CS2)N1 65534 [0,0,0,0,0,0|1,0,0]=1 1 B13R2.400 O=C(O)C1=CC2=C(C=C(Br)S2)N1 D74162 [0,1,0,0,0,0|0,0,0]=1 2 B13R2.2334 O=C(O)C1=C(Br)C2=C(C=CO2)N1 L10122 [0,1,0,0,0,0|0,1,0]=2 3 B11R1.35 N[C@@H](CC1=NC=CS1)C(=O)O D85258 [0,0,1,0,0,0|1,0,2]=4 4 B13R2.430 O=C(O)C1=CN2C=CC=C2C=N1 C10069 [0,0,0,0,0,1|2,0,1]=4 5 B13R2.430 O=C(O)C1=CN2N=CC=C2C=C1 97818 [0,0,0,0,0,1|3,0,0]=4 6 B13R2.430 O=C(O)C1=CN=C2SC=CC2=C1 P15596 [0,0,0,0,0,1|1,0,0]=2 7 B13R2.430 O=C(O)C1=NC2=C(C=CN2)C=N1 37421 [0,0,0,0,0,1|2,0,1]=4 8 B13R2.430 O=C(O)C1=NC2=C(C=CN2)N=C1 P21028 [0,0,0,0,0,1|2,0,1]=4 9 B13R2.430 O=C(O)C1=NC=C2C=NNC2=C1 P12298 [0,0,0,0,0,1|2,0,1]=4 10 B13R2.430 O=C(O)C1=NC=C2N=CNC2=C1 79971 [0,0,0,0,0,1|2,0,1]=4 11 B13R2.430 O=C(O)C1=NN2C=CC=C2C=N1 D79213 [0,0,0,0,0,1|2,0,1]=4 12 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)O1 D74564 [0,0,0,0,0,1|2,0,0]=3 13 B13R2.435 O=C(O)C1=CC2=C(N=CC=N2)N1 P20955 [0,0,0,0,0,1|1,0,0]=2 14 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 20909 [0,0,0,0,0,1|2,0,1]=4 15 B13R2.435 O=C(O)C1=NC2=C(C=NC=C2)N1 C77149 [0,0,0,0,0,1|2,0,0]=3 16 B13R2.435 O=C(O)C1=NN2N=CC=CC2=C1 P12344 [0,0,0,0,0,1|2,0,1]=4 17 B10R1.31 CCC1=CNC(C(=O)O)=C1 E70419 [1,0,1,0,0,0|0,0,2]=4 18 B10R1.31 COC1=CNC(C(=O)O)=C1 AC8161 [1,0,1,0,0,0|0,1,1]=4 19 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CS1 Y13973 [0,1,1,0,0,0|0,0,2]=4 20 B14R2.601 CC1=CC2=C(C=CC(C(=O)O)=C2)N1 I10098 [0,1,0,0,0,1|2,0,0]=4 21 B14R2.601 CC1=CC2=CC(C(=O)O)=CN=C2N1 P19441 [0,1,0,0,0,1|2,0,0]=4 22 B14R2.624 O=C(O)C1=C(Cl)C=C2NC=CC2=C1 72345 [0,1,0,0,0,1|2,0,0]=4 23 B14R2.966 COC(=O)C1=CC2=C(N=CS2)N=C1 D96402 [0,1,0,0,0,1|1,0,1]=4 24 B14R2.966 COC(=O)C1=CN=C2C=COC2=C1 W11040 [0,1,0,0,0,1|0,1,1]=4 25 B14R2.5998 O=C(O)C1=C(O)C2=C(C=C1)SC=C2 W11369 [0,1,0,0,0,1|1,0,0]=3 26 B14R2.8824 O=C(O)C1=CC(F)=C2C=CNC2=C1 87034 [0,1,0,0,0,1|2,0,0]=4 27 B14R2.8824 O=C(O)C1=CC2=C(OC=C2)C(Cl)=N1 P17801 [0,1,0,0,0,1|1,1,0]=4 28 B14R2.24358 CN1C=CC2=NC=C(C(=O)O)C=C21 P13157 [0,1,0,0,0,1|1,0,1]=4 29 B14R2.24358 O=C(O)C1=CC2=C(C=C1)OC=C2Cl W19251 [0,1,0,0,0,1|1,1,0]=4 30 B14R2.450 CC1=C(C(=O)O)SC2=NC=CC=C21 D84760 [0,1,0,0,0,1|2,0,0]=4 31 B14R2.4529 O=C(O)C1=CC2=C(N=C(Br)C=C2)N1 38450 [0,1,0,0,0,1|1,0,0]=3 32 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2O1 AT14348 [0,1,0,0,0,1|2,0,0]=4 33 B14R2.7969 CC1=CC=NC2=C1C=C(C(=O)O)N2 63730 [0,1,0,0,0,1|1,0,0]=3 34 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2S1 Y14011 [0,1,0,0,0,1|2,0,0]=4 35 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2Cl)O1 W14709 [0,1,0,0,0,1|2,0,0]=4 36 B14R2.7969 O=C(O)C1=CC2=C(C=NC=C2F)S1 57199 [0,1,0,0,0,1|2,0,0]=4 37 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=NC=C2 C73937 [0,1,0,0,0,1|2,0,0]=4 38 B12R2.32 O=CC1=CC2=C(C=CN=C2)O1 D79839 [1,0,0,0,0,1|2,0,0]=4 39 B12R2.32 O=CC1=CC2=C(C=NC=C2)S1 D79728 [1,0,0,0,0,1|2,0,0]=4 40 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 AC3295 [1,0,0,0,0,1|1,1,0]=4 41 B12R2.44 O=CC1=CN=C2OC=CC2=C1 98457 [1,0,0,0,0,1|1,1,0]=4 42 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=N1 37242 [0,0,0,0,0,2|1,0,1]=4 43 B14R2.1008 O=C(O)CC1=CN=C2NC=CC2=C1 P17865 [0,0,0,0,0,2|2,0,0]=4 44 B14R2.768 CC(=O)CC1=CC2=C(C=CC=C2)N1 D93534 [0,0,0,0,0,2|2,0,0]=4