0 B12R2.252 O=C(O)C1=CC2=C(SC=C2)S1 33366 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.252 O=C(O)C1=CC2=CSC=C2S1 33367 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CS2 17854 [0,1,0,0,0,0|1,0,0]=2 3 B11R1.35 NC(CC1=CC=CS1)C(=O)O 34969 [0,0,1,0,0,0|1,0,2]=4 4 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O 18715 [0,0,1,0,0,0|1,0,2]=4 5 B11R1.35 N[C@@H](Cc1cscn1)C(=O)O 29901 [0,0,1,0,0,0|2,0,1]=4 6 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O 18712 [0,0,1,0,0,0|1,0,2]=4 7 B11R1.35 N[C@H](Cc1cscn1)C(=O)O 29902 [0,0,1,0,0,0|2,0,1]=4 8 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CN2 19532 [0,0,0,0,0,1|2,0,0]=3 9 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 9871 [0,0,0,0,0,1|1,0,0]=2 10 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 7018 [0,0,0,0,0,1|2,1,0]=4 11 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 19084 [0,0,0,0,0,1|1,1,0]=3 12 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 20599 [0,0,0,0,0,1|2,0,0]=3 13 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=N2 10453 [0,0,0,0,0,1|1,0,0]=2 14 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 28024 [0,0,0,0,0,1|2,1,0]=4 15 B13R2.430 O=C(O)C1=CC2=C(C=CS2)C=C1 28001 [0,0,0,0,0,1|2,0,0]=3 16 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 34263 [0,0,0,0,0,1|3,0,0]=4 17 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 3995 [0,0,0,0,0,1|3,0,0]=4 18 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 1695 [0,0,0,0,0,1|2,0,1]=4 19 B13R2.430 O=C(O)C1=CC=C2N=NN=C2C1 19500 [0,0,0,0,0,1|3,0,0]=4 20 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 1694 [0,0,0,0,0,1|2,0,1]=4 21 B13R2.430 O=C(O)C1=CN2C=CN=C2C=N1 32161 [0,0,0,0,0,1|2,0,1]=4 22 B13R2.430 O=C(O)C1=CN=C2C=CNC2=C1 26800 [0,0,0,0,0,1|2,0,1]=4 23 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 16605 [0,0,0,0,0,1|1,0,2]=4 24 B13R2.430 O=C(O)c1ccc2nccn2c1 23163 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)N=CS2 21845 [0,0,0,0,0,1|2,0,1]=4 26 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)SC=N2 21844 [0,0,0,0,0,1|2,0,1]=4 27 B13R2.435 NC(=O)C1=CC2=CC=CC=C2N1 20200 [0,0,0,0,0,1|3,0,0]=4 28 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 7019 [0,0,0,0,0,1|3,0,0]=4 29 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 28045 [0,0,0,0,0,1|3,0,0]=4 30 B13R2.435 O=C(O)C1=CC2=C(N=CN=C2)N1 15987 [0,0,0,0,0,1|1,0,0]=2 31 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 1690 [0,0,0,0,0,1|2,0,0]=3 32 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 20647 [0,0,0,0,0,1|1,0,0]=2 33 B13R2.435 O=C(O)C1=CC2=CC=CN=C2O1 20928 [0,0,0,0,0,1|2,0,0]=3 34 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 28037 [0,0,0,0,0,1|2,0,0]=3 35 B13R2.435 O=C(O)C1=CC2=CC=NC=C2S1 32509 [0,0,0,0,0,1|2,0,0]=3 36 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 20924 [0,0,0,0,0,1|2,0,0]=3 37 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 33061 [0,0,0,0,0,1|3,0,0]=4 38 B13R2.435 O=C(O)C1=CC2=NC=CN=C2S1 9882 [0,0,0,0,0,1|2,0,0]=3 39 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 24236 [0,0,0,0,0,1|2,0,1]=4 40 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 33476 [0,0,0,0,0,1|2,0,1]=4 41 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 8062 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.66 O=C(O)\C=C\C1=CC=CO1 6950 [1,0,1,0,0,0|1,1,0]=4 43 B10R1.66 O=C(O)\C=C\C1=CC=CS1 22898 [1,0,1,0,0,0|1,0,0]=3 44 B10R1.66 O=C(O)\C=C\C1=CNC=N1 9875 [1,0,1,0,0,0|1,0,1]=4 45 B14R2.601 CC(=O)C1=CC2=C(C=C1)N=C(Cl)S2 21731 [0,1,0,0,0,1|2,0,0]=4 46 B14R2.601 CC(=O)C1=CC2=C(C=C1)N=C(N)S2 21733 [0,1,0,0,0,1|2,0,0]=4 47 B14R2.601 CC1=NC2=C(C=C(C(=O)O)C=C2)O1 33481 [0,1,0,0,0,1|1,1,0]=4 48 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)N1 16255 [0,1,0,0,0,1|2,0,0]=4 49 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)O1 33483 [0,1,0,0,0,1|1,1,0]=4 50 B14R2.601 NC1=NC2=C(C=C(C(=O)O)C=C2)S1 29204 [0,1,0,0,0,1|1,0,0]=3 51 B14R2.601 O=C(O)C1=CC2=C(C=C1)NC(S)=N2 8072 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.601 O=C(O)c1ccc2nc(O)sc2c1 29203 [0,1,0,0,0,1|1,0,0]=3 53 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=N2 16724 [0,1,0,0,0,1|2,0,0]=4 54 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=N2 18768 [0,1,0,0,0,1|2,0,0]=4 55 B14R2.5998 O=C(O)C1=CNC2=C(SC=C2)C1=O 31813 [0,1,0,0,0,1|1,0,0]=3 56 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 20609 [0,1,0,0,0,1|2,0,0]=4 57 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 7284 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 25119 [0,1,0,0,0,1|1,0,0]=3 59 B14R2.972 COC(=O)C1=CC2=CC=CN=C2O1 20927 [0,1,0,0,0,1|2,0,0]=4 60 B14R2.972 COC(=O)C1=CC2=NC=CC=C2N1 20835 [0,1,0,0,0,1|2,0,0]=4 61 B14R2.4529 CC1=CC=C2C=C(C(=O)O)SC2=N1 32504 [0,1,0,0,0,1|2,0,0]=4 62 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 28835 [0,1,0,0,0,1|2,0,0]=4 63 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)N1 14940 [0,1,0,0,0,1|2,0,0]=4 64 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2N1 1663 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 26739 [0,1,0,0,0,1|1,0,0]=3 66 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 32505 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.4529 O=C(O)C1=CC2=CC(Br)=NC=C2N1 14359 [0,1,0,0,0,1|1,0,0]=3 68 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 1670 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CN=C2N1 14614 [0,1,0,0,0,1|1,0,0]=3 70 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 14379 [0,1,0,0,0,1|1,0,0]=3 71 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 1683 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 14919 [0,1,0,0,0,1|1,0,0]=3 73 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2N1 1716 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 1664 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 1671 [0,1,0,0,0,1|2,0,0]=4 76 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2N1 14615 [0,1,0,0,0,1|1,0,0]=3 77 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 1684 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.4529 O=C(O)C1=CC2=CC=C(O)C=C2N1 13369 [0,1,0,0,0,1|2,0,0]=4 79 B14R2.4529 O=C(O)C1=CC2=NC(F)=CN=C2N1 15988 [0,1,0,0,0,1|1,0,0]=3 80 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=CC=C1 1706 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 9494 [0,1,0,0,0,1|2,0,0]=4 82 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2S1 28039 [0,1,0,0,0,1|2,0,0]=4 83 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=NC=C2S1 28040 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 2531 [0,1,0,0,0,1|2,0,0]=4 85 B14R2.7969 O=C(O)C1=CC2=C(F)C=NC=C2S1 28041 [0,1,0,0,0,1|2,0,0]=4 86 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)N1 15985 [0,1,0,0,0,1|1,0,0]=3 87 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)S1 32519 [0,1,0,0,0,1|2,0,0]=4 88 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2F)N1 15986 [0,1,0,0,0,1|1,0,0]=3 89 B14R2.7969 O=C(O)C1=CC2=C(O)C=CC=C2N1 30412 [0,1,0,0,0,1|2,0,0]=4 90 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 28833 [0,1,0,0,0,1|2,0,0]=4 91 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 23489 [0,1,0,0,0,1|2,0,0]=4 92 B14R2.7969 O=C(O)C1=CC2=CC=NC(Cl)=C2S1 32511 [0,1,0,0,0,1|2,0,0]=4 93 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)N1 14995 [0,2,0,0,0,0|1,0,0]=3 94 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 29908 [0,0,1,0,1,0|1,0,1]=4 95 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 29907 [0,0,1,0,1,0|1,0,1]=4 96 B10R1.23 O=C(O)C(=O)C1=CC=CS1 5576 [0,0,1,0,1,0|2,0,0]=4 97 B12R1.125 NC1=C(\C=C\C(=O)O)C=NC=C1 18315 [0,0,1,0,0,1|2,0,0]=4 98 B12R2.32 O=CC1=CC2=CC=CC=C2N1 18050 [1,0,0,0,0,1|2,0,0]=4 99 B12R2.32 O=CC1=CC2=CC=NC=C2S1 33028 [1,0,0,0,0,1|2,0,0]=4 100 B12R2.44 O=CC1=CC2=C(C=C1)NC=N2 9866 [1,0,0,0,0,1|2,0,0]=4 101 B12R2.44 O=CC1=CC2=C(C=C1)SN=N2 20226 [1,0,0,0,0,1|2,0,0]=4 102 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 32443 [1,0,0,0,0,1|2,0,0]=4 103 B14R2.781 O=C(O)C1=CC2=NC=CC=C2N=C1 27138 [0,0,0,0,0,2|2,0,0]=4 104 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 24139 [0,0,0,0,0,2|2,0,0]=4 105 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 7578 [0,0,0,0,0,2|2,0,0]=4 106 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 15419 [0,0,0,0,0,2|2,0,0]=4 107 B14R2.781 O=C(O)C1=CC=C2N=CN=CC2=C1 14632 [0,0,0,0,0,2|2,0,0]=4 108 B14R2.781 O=C(O)C1=NC2=CN=CC=C2C=C1 33823 [0,0,0,0,0,2|1,0,1]=4 109 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 13907 [0,0,0,0,0,2|1,0,1]=4 110 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 29049 [0,0,0,0,0,2|2,0,0]=4