0 B12R2.252 O=C(O)C1=CC2=C(N1)SC=C2 Z1995 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.531 NNC(=O)C1=CC2=C(C=CS2)S1 8124AE [0,1,0,0,0,0|2,1,0]=4 2 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CO2 3840AB [0,1,0,0,0,0|0,0,0]=1 3 B11R1.35 NC(CC1=CC=CN1)C(=O)O 3265AB [0,0,1,0,0,0|1,0,2]=4 4 B11R1.35 N[C@@H](CC1=COC=C1)C(=O)O 5463AA [0,0,1,0,0,0|2,0,1]=4 5 B11R1.35 N[C@H](CC1=CC=CN1)C(=O)O 5301AA [0,0,1,0,0,0|1,0,2]=4 6 B11R1.35 N[C@H](CC1=COC=C1)C(=O)O 5464AA [0,0,1,0,0,0|2,0,1]=4 7 B13R2.430 CC(=O)C1=CC2=C(N=C1)SC=C2 9612AA [0,0,0,0,0,1|2,1,0]=4 8 B13R2.430 NC(=O)C1=CC=C2NC=CC2=N1 7280AA [0,0,0,0,0,1|2,0,1]=4 9 B13R2.430 O=C(O)C1=CC2=C(C=N1)NN=C2 9877AH [0,0,0,0,0,1|3,0,0]=4 10 B13R2.430 O=C(O)C1=CC2=C(C=N1)OC=C2 W6445 [0,0,0,0,0,1|1,0,0]=2 11 B13R2.430 O=C(O)C1=CN2C=CC=C2C=N1 4484AJ [0,0,0,0,0,1|2,0,1]=4 12 B13R2.430 O=C(O)C1=CN2C=CC=C2N=C1 9840AJ [0,0,0,0,0,1|2,0,1]=4 13 B13R2.430 O=C(O)C1=NC2=C(C=C1)OC=C2 8256AB [0,0,0,0,0,1|0,0,1]=2 14 B13R2.430 O=C(O)C1=NC2=C(C=C1)SC=C2 3888AL [0,0,0,0,0,1|0,1,1]=3 15 B13R2.430 O=C(O)C1=NC=C2C=NNC2=C1 4833AA [0,0,0,0,0,1|2,0,1]=4 16 B13R2.435 CC(=O)C1=CC2=CC=CN=C2S1 9555AH [0,0,0,0,0,1|3,0,0]=4 17 B13R2.435 NC(=O)C1=CC2=C(C=CN=C2)N1 3241AC [0,0,0,0,0,1|2,0,0]=3 18 B13R2.435 NC(=O)C1=CC2=CC=CC=C2O1 W6567 [0,0,0,0,0,1|3,0,0]=4 19 B13R2.435 O=C(O)C1=CC2=NC=NC=C2N1 3227AJ [0,0,0,0,0,1|1,0,0]=2 20 B13R2.435 O=C(O)C1=CN2C=NC=CC2=N1 5358AC [0,0,0,0,0,1|2,0,1]=4 21 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 3094AA [0,0,0,0,0,1|3,0,0]=4 22 B13R2.435 O=C(O)C1=NC2=C(C=NC=C2)S1 9279AE [0,0,0,0,0,1|2,0,1]=4 23 B13R2.435 O=C(O)C1=NC2=CC=CN=C2N1 6832AC [0,0,0,0,0,1|2,0,0]=3 24 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CO1 X6258 [1,0,1,0,0,0|1,0,1]=4 25 B10R1.31 O=C(O)C1=CC=C(CO)N1 6865AC [1,0,1,0,0,0|0,0,1]=3 26 B10R1.31 O=CC1=CNC(C(=O)O)=C1 1061AC [1,0,1,0,0,0|1,0,0]=3 27 B12R1.298 N#C\C(=C/C1=CC=CS1)C(=O)O 8611AB [0,1,1,0,0,0|0,1,1]=4 28 B14R2.601 CC1=CC2=C(C=CC(C(=O)O)=C2)O1 7480AD [0,1,0,0,0,1|1,0,0]=3 29 B14R2.966 COC(=O)C1=CC2=C(C=N1)SC=C2 Y5360 [0,1,0,0,0,1|1,1,0]=4 30 B14R2.966 O=C(CO)C1=CC2=C(C=C1)NC=C2 5007AB [0,1,0,0,0,1|2,0,0]=4 31 B14R2.5998 O=C(O)C1=CNC2=CC=NN2C1=O X6401 [0,1,0,0,0,1|2,0,0]=4 32 B14R2.8824 O=C(O)C1=CC2=C(C=CN2)C(I)=C1 2746AL [0,1,0,0,0,1|2,0,0]=4 33 B14R2.8824 O=C(O)C1=NC2=C(SC=C2)C(=O)N1 0702AA [0,1,0,0,0,1|0,1,1]=4 34 B14R2.450 CC(=O)C1=CC2=C(C=CC=C2)N1C 1366AL [0,1,0,0,0,1|2,0,0]=4 35 B14R2.450 CN1C(C(N)=O)=CC2=CC=CC=C21 5689AE [0,1,0,0,0,1|2,0,0]=4 36 B14R2.450 NC1=C(C(=O)O)SC2=CC=CC=C21 2607AE [0,1,0,0,0,1|2,0,0]=4 37 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2S1 0811AQ [0,1,0,0,0,1|2,0,0]=4 38 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)S1 4840AD [0,1,0,0,0,1|2,0,0]=4 39 B14R2.972 NNC(=O)C1=CC2=C(N=CC=C2)N1 9884AH [0,1,0,0,0,1|2,0,0]=4 40 B14R2.4529 NC1=CC2=C(C=C1)N=C(C(=O)O)N2 4760AB [0,1,0,0,0,1|2,0,0]=4 41 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2O1 2201AB [0,1,0,0,0,1|2,0,0]=4 42 B14R2.4529 O=C(O)C1=NC2=CC(O)=CC=C2N1 5788AB [0,1,0,0,0,1|2,0,0]=4 43 B14R2.7969 CC1=C2C=C(C(=O)O)SC2=CC=C1 8952AA [0,1,0,0,0,1|2,0,0]=4 44 B14R2.7969 NC1=C2C=C(C(=O)O)NC2=NC=N1 4896AA [0,1,0,0,0,1|2,0,0]=4 45 B14R2.7969 NC1=CC=CC2=C1NC(C(=O)O)=C2 2703AC [0,1,0,0,0,1|1,0,0]=3 46 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2S1 Y5812 [0,1,0,0,0,1|2,0,0]=4 47 B14R2.7969 O=C(O)C1=CC2=C(Br)N=CN=C2N1 4882AA [0,1,0,0,0,1|2,0,0]=4 48 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 3730AA [0,1,0,0,0,1|1,0,0]=3 49 B14R2.7969 O=C(O)C1=CC2=C(O)C=CC=C2N1 2734AL [0,1,0,0,0,1|1,0,0]=3 50 B12R1.279 C=CCC1=CC=CC(C(=O)O)=C1 8425AC [0,0,1,0,0,1|2,0,0]=4 51 B12R2.32 O=CC1=CC2=NC=CN=C2S1 Y4305 [1,0,0,0,0,1|2,0,0]=4 52 B12R2.32 OCC1=CC2=NC=CC=C2N1 8333AH [1,0,0,0,0,1|1,0,1]=4 53 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 4451AA [1,0,0,0,0,1|1,0,0]=3 54 B12R2.44 OCC1=CC=C2OC=CC2=C1 Y8694 [1,0,0,0,0,1|1,0,1]=4 55 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 4701AC [0,0,0,0,0,2|1,0,1]=4 56 B14R2.781 O=C(O)C1=NC2=C(C=CN=C2)C=C1 3433AB [0,0,0,0,0,2|1,0,1]=4 57 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=N1 7320AJ [0,0,0,0,0,2|1,0,1]=4