0 B12R2.252 O=C(O)C1=CC2=C(C=NN2)S1 D88054 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.252 O=C(O)C1=CC2=C(N1)SC=C2 C90264 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.252 O=C(O)C1=CC2=C(N1)SC=N2 D86316 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.252 O=C(O)C1=CC2=C(OC=C2)S1 D86314 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.252 O=C(O)C1=CN2C=CSC2=C1 D86313 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.252 O=C(O)C1=CN2NC=CC2=N1 F12252 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)O1 AT11850 [0,1,0,0,0,0|1,1,0]=3 7 B13R2.400 CC1=NN2C=C(C(=O)O)N=C2S1 D74223 [0,1,0,0,0,0|3,0,0]=4 8 B13R2.400 O=C(O)C1=CC2=C(C=C(Br)O2)N1 L10082 [0,1,0,0,0,0|1,1,0]=3 9 B13R2.400 O=C(O)C1=CC2=C(N1)SC(Br)=C2 C90266 [0,1,0,0,0,0|2,0,0]=3 10 B13R2.531 COC(=O)C1=CC2=C(C=CO2)N1 28507 [0,1,0,0,0,0|1,1,0]=3 11 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CO2 C90708 [0,1,0,0,0,0|1,1,0]=3 12 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CS2 AT18492 [0,1,0,0,0,0|1,0,0]=2 13 B13R2.2334 O=C(O)C1=C(Br)C2=C(N1)SC=C2 L10110 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.3678 CC1=C2C=C(C(=O)O)SC2=NS1 D86315 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.3678 O=C(O)C1=CC2=C(N1)SC=C2Br S11383 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O 67399 [0,0,1,0,0,0|0,0,2]=3 17 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O 67406 [0,0,1,0,0,0|0,0,2]=3 18 B13R2.430 CC(=O)C1=CC2=C(C=C1)NC=N2 F52358 [0,0,0,0,0,1|3,0,0]=4 19 B13R2.430 C[C@H](O)C1=CC2=C(C=C1)SC=N2 92499 [0,0,0,0,0,1|2,0,1]=4 20 B13R2.430 NC(=O)C1=CC2=C(C=C1)SC=N2 O11692 [0,0,0,0,0,1|2,0,0]=3 21 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)SC=C2 H11170 [0,0,0,0,0,1|3,0,0]=4 22 B13R2.430 O=C(O)C1=CC2=C(C=N1)SC=C2 D86219 [0,0,0,0,0,1|2,0,0]=3 23 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 P19037 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.430 O=C(O)C1=CC=C2N=CSC2=N1 F18508 [0,0,0,0,0,1|2,0,0]=3 25 B13R2.430 O=C(O)C1=NC2=C(C=C1)SC=C2 70974 [0,0,0,0,0,1|1,0,1]=3 26 B13R2.430 O=C(O)[C@@H]1CC2=C(CN1)N=CN2 79968 [0,0,0,0,0,1|1,0,2]=4 27 B13R2.430 O=C(O)[C@@H]1CC2=C(CN1)N=CN2 F17520 [0,0,0,0,0,1|1,0,2]=4 28 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)O1 D76647 [0,0,0,0,0,1|3,0,0]=4 29 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 O10413 [0,0,0,0,0,1|1,0,0]=2 30 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)O1 AT21741 [0,0,0,0,0,1|2,0,0]=3 31 B13R2.435 O=C(O)C1=CC2=NC=CN=C2S1 F53481 [0,0,0,0,0,1|2,0,0]=3 32 B13R2.435 O=C(O)[C@@H]1CC2=C(N=CC=C2)N1 C73379 [0,0,0,0,0,1|1,0,2]=4 33 B10R1.66 O=C(O)\C=C\C1=CNN=C1 28276 [1,0,1,0,0,0|2,0,0]=4 34 B10R1.31 O=CC1=CNC(C(=O)O)=C1 I11670 [1,0,1,0,0,0|1,0,0]=3 35 B10R1.31 O=CC1=CSC(C(=O)O)=C1 AT16396 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.145 CC1=C(C[C@H](N)C(=O)O)SC=N1 AC1519 [0,1,1,0,0,0|0,0,2]=4 37 B12R1.298 N#C\C(=C/C1=CC=CS1)C(=O)O C16026 [0,1,1,0,0,0|1,0,1]=4 38 B12R1.298 N#C\C(=C/C1=CN=CS1)C(=O)O C72963 [0,1,1,0,0,0|0,0,1]=3 39 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(O)S2 AC9408 [0,1,0,0,0,1|1,0,0]=3 40 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(S)O2 F50796 [0,1,0,0,0,1|1,1,0]=4 41 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(S)S2 C90552 [0,1,0,0,0,1|1,0,0]=3 42 B14R2.601 O=C(O)C1=CC2=C(C=C1)OC(S)=N2 F50795 [0,1,0,0,0,1|1,1,0]=4 43 B14R2.624 O=C(O)C1=CC2=C(NC=N2)NC1=O N11760 [0,1,0,0,0,1|1,0,1]=4 44 B14R2.966 COC(=O)C1=CC2=C(C=C1)SC=C2 D72932 [0,1,0,0,0,1|2,0,0]=4 45 B14R2.966 COC(=O)C1=NC2=C(C=C1)SC=C2 96806 [0,1,0,0,0,1|1,0,1]=4 46 B14R2.966 COC(=O)C1=NC=C2N=CNC2=C1 79970 [0,1,0,0,0,1|1,0,1]=4 47 B14R2.3125 O=S(=O)(O)C1=CC2=C(C=C1)N=CS2 D82668 [0,1,0,0,0,1|2,0,0]=4 48 B14R2.5998 O=C(O)C1=CN=C2SC=CC2=C1O C91361 [0,1,0,0,0,1|2,0,0]=4 49 B14R2.8824 O=C(O)C1=CC(=O)N2N=CN=C2N1 F21121 [0,1,0,0,0,1|2,0,0]=4 50 B14R2.8824 O=C(O)C1=CC2=C(C=CS2)C(O)=C1 AT21713 [0,1,0,0,0,1|2,0,0]=4 51 B14R2.24358 CN1C=NC2=CN=C(C(=O)O)C=C21 79974 [0,1,0,0,0,1|1,0,1]=4 52 B14R2.450 NC1=C(C(=O)O)OC2=C1C=CC=N2 N13338 [0,1,0,0,0,1|2,0,0]=4 53 B14R2.450 O=C(O)C1=C(O)C2=C(C=CC=C2)N1 D78597 [0,1,0,0,0,1|2,0,0]=4 54 B14R2.972 COC(=O)C1=CC2=C(C=NC=C2)N1 63404 [0,1,0,0,0,1|1,0,0]=3 55 B14R2.972 COC(=O)C1=CC2=C(C=NC=C2)S1 87472 [0,1,0,0,0,1|2,0,0]=4 56 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=N2)N1 P12340 [0,1,0,0,0,1|2,0,0]=4 57 B14R2.4529 O=C(O)C1=CC2=C(N=C(Cl)C=C2)S1 96682 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.4529 O=C(O)C1=CC2=C(N=C(Cl)N=C2)N1 F31002 [0,1,0,0,0,1|1,0,0]=3 59 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2S1 AT10710 [0,1,0,0,0,1|2,0,0]=4 60 B14R2.7969 NC1=CC=CC2=C1NC(C(=O)O)=C2 N16833 [0,1,0,0,0,1|2,0,0]=4 61 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2N1 C71993 [0,1,0,0,0,1|1,0,0]=3 62 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2S1 W19085 [0,1,0,0,0,1|2,0,0]=4 63 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2O)N1 82139 [0,1,0,0,0,1|2,0,0]=4 64 B14R2.10815 COC(=O)C1=CC2=C(C=C(Br)O2)N1 L10140 [0,2,0,0,0,0|1,1,0]=4 65 B14R2.10815 COC(=O)C1=CC2=C(C=C(C)S2)N1 D74163 [0,2,0,0,0,0|1,0,0]=3 66 B14R2.10815 COC(=O)C1=CC2=C(C=C(Cl)S2)N1 D74164 [0,2,0,0,0,0|1,0,0]=3 67 B14R2.10815 COC(=O)C1=CC2=C(N1)SC(Br)=C2 C90267 [0,2,0,0,0,0|2,0,0]=4 68 B14R2.839 CCOC(=O)C1=CC2=C(N1)SC=N2 P12672 [0,2,0,0,0,0|2,0,0]=4 69 B14R2.970 COC(=O)C1=C(Br)C2=C(C=CS2)N1 L10154 [0,2,0,0,0,0|1,0,0]=3 70 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 38266 [0,0,1,0,1,0|1,0,1]=4 71 B12R1.43 C\C(=C/C1=CN=CC=C1)C(=O)O E72369 [0,0,1,0,0,1|2,0,0]=4 72 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 V10202 [0,0,1,0,0,1|1,0,0]=3 73 B14R2.781 O=C(O)C1=NC2=CN=CC=C2C=C1 C15561 [0,0,0,0,0,2|1,0,1]=4