0 B12R2.252 O=C(O)C1=CC2=C(N=CS2)N1 CS-0050840 [0,0,0,0,0,0|0,0,0]=0 1 B12R2.252 O=C(O)C1=CC2=C(SC=C2)S1 CS-0217179 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.15 OCC1=CC2=C(C=CS2)S1 CS-0215723 [1,0,0,0,0,0|2,0,1]=4 3 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)O1 CS-0123136 [0,1,0,0,0,0|1,1,0]=3 4 B13R2.400 O=C(O)C1=CC2=C(C=C(Br)S2)S1 CS-0531994 [0,1,0,0,0,0|2,0,0]=3 5 B13R2.400 O=C(O)C1=CN2N=C(Br)SC2=N1 CS-0161304 [0,1,0,0,0,0|3,0,0]=4 6 B13R2.531 COC(=O)C1=CC2=C(C=CO2)N1 CS-0308336 [0,1,0,0,0,0|1,1,0]=3 7 B13R2.531 COC(=O)C1=CC2=C(N1)SC=C2 CS-0100849 [0,1,0,0,0,0|2,0,0]=3 8 B13R2.531 COC(=O)C1=CC2=C(N=CS2)S1 CS-0150777 [0,1,0,0,0,0|1,0,0]=2 9 B13R2.2334 CC1=C(C(=O)O)SC2=C1SC=C2 CS-0247818 [0,1,0,0,0,0|2,0,0]=3 10 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CS2 CS-0123152 [0,1,0,0,0,0|1,0,0]=2 11 B13R2.2334 O=C(O)C1=C(Br)C2=C(C=CO2)N1 CS-0480067 [0,1,0,0,0,0|1,1,0]=3 12 B13R2.2334 O=C(O)C1=C(Cl)C2=C(SC=C2)S1 CS-0233482 [0,1,0,0,0,0|3,0,0]=4 13 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CS2 CS-0170898 [0,1,0,0,0,0|1,0,0]=2 14 B13R2.3678 O=C(O)C1=CC2=C(S1)C(Br)=CS2 CS-0525780 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.35 C\C(=C/C1=CC=CO1)C(=O)O CS-0243711 [0,0,1,0,0,0|2,1,0]=4 16 B11R1.35 NC(CC1=CN=CN1)C(=O)O CS-0368312 [0,0,1,0,0,0|1,0,2]=4 17 B11R1.35 N[C@H](CC1=CN=CN1)C(=O)O CS-0201938 [0,0,1,0,0,0|1,0,2]=4 18 B11R1.35 O=C(O)C(=O)CC1=CC=CS1 CS-0074430 [0,0,1,0,0,0|2,0,1]=4 19 B11R1.35 O=C(O)C(=O)NC1=NC=CS1 CS-0313919 [0,0,1,0,0,0|3,0,0]=4 20 B11R1.35 O=C(O)C(=O)NC1=NN=CS1 CS-0205770 [0,0,1,0,0,0|3,0,0]=4 21 B11R1.90 CC1=C(CCC(=O)O)SC=N1 CS-0265212 [0,0,1,0,0,0|1,0,2]=4 22 B11R1.90 CC1=C(\C=C\C(=O)O)C=CO1 CS-0757258 [0,0,1,0,0,0|3,0,0]=4 23 B11R1.124 CC\N=C1\NC(C(=O)O)=CS1 CS-0264742 [0,0,1,0,0,0|2,0,1]=4 24 B11R1.124 COCC1=CNC(C(=O)O)=C1 CS-0111735 [0,0,1,0,0,0|3,0,0]=4 25 B13R2.430 CC(=O)C1=CC=C2SC=CC2=C1 CS-0088175 [0,0,0,0,0,1|3,0,0]=4 26 B13R2.430 CC(=O)C1=CN=C2C=CSC2=C1 CS-0262453 [0,0,0,0,0,1|2,0,1]=4 27 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 CS-0184753 [0,0,0,0,0,1|3,0,0]=4 28 B13R2.430 O=C(O)C1=CC2=NNN=C2C=C1 CS-0654400 [0,0,0,0,0,1|3,0,0]=4 29 B13R2.430 O=C(O)C1=CC=C2C=CSC2=C1 CS-0242385 [0,0,0,0,0,1|2,0,0]=3 30 B13R2.430 O=C(O)C1=CC=C2N=CNC2=C1 CS-0530050 [0,0,0,0,0,1|2,0,0]=3 31 B13R2.430 O=C(O)C1=CC=C2N=NN=C2C1 CS-0206018 [0,0,0,0,0,1|3,0,0]=4 32 B13R2.430 OB(O)C1=CC=C2SC=NC2=C1 CS-0473449 [0,0,0,0,0,1|2,0,1]=4 33 B13R2.435 NC(=O)C1=CC2=C(C=CN=C2)N1 CS-0673194 [0,0,0,0,0,1|3,0,0]=4 34 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 CS-0052498 [0,0,0,0,0,1|2,0,0]=3 35 B13R2.435 O=C(O)C1=CC2=C(N=CC=N2)S1 CS-0454156 [0,0,0,0,0,1|2,0,0]=3 36 B13R2.435 O=C(O)C1=CC2=CN=CN=C2N1 CS-0050019 [0,0,0,0,0,1|1,0,0]=2 37 B13R2.435 O=C(O)C1=CC2=NC=CC=C2O1 CS-0106542 [0,0,0,0,0,1|3,0,0]=4 38 B13R2.435 O=C(O)C1=NC2=C(C=CC=N2)N1 CS-0155700 [0,0,0,0,0,1|2,0,1]=4 39 B10R1.66 C(C(=O)O)=CC1=NC=CS1 CS-W000655 [1,0,1,0,0,0|2,0,0]=4 40 B10R1.66 CC(=O)\C=C\C1=CC=CS1 CS-0182830 [1,0,1,0,0,0|2,0,0]=4 41 B10R1.66 CC(=O)\C=C\C1=CC=CS1 CS-0369516 [1,0,1,0,0,0|2,0,0]=4 42 B10R1.66 O=C(O)CCC1=CSC=N1 CS-0467736 [1,0,1,0,0,0|1,0,1]=4 43 B10R1.31 CCC1=CC=C(C(=O)O)N1 CS-0089412 [1,0,1,0,0,0|1,0,1]=4 44 B10R1.31 N#CC1=CNC(C(=O)O)=C1 CS-0055015 [1,0,1,0,0,0|0,0,2]=4 45 B10R1.31 O=CC1=COC(C(=O)O)=C1 CS-0528778 [1,0,1,0,0,0|2,0,0]=4 46 B10R1.58 CC1=C(C)NC(C(=O)O)=C1 CS-W000758 [1,0,1,0,0,0|1,0,1]=4 47 B10R1.58 O=C(O)C1=CC(Br)=C(Br)N1 CS-0451417 [1,0,1,0,0,0|2,0,0]=4 48 B14R2.601 CC(=O)C1=CC2=C(C=C1)N=C(O)S2 CS-W015774 [0,1,0,0,0,1|2,0,0]=4 49 B14R2.601 CC1=NC2=C(C=C(C(=O)O)C=C2)S1 CS-0071323 [0,1,0,0,0,1|1,0,0]=3 50 B14R2.601 CC1=NC2=CC(C(=O)O)=CC=C2N1 CS-0232744 [0,1,0,0,0,1|2,0,0]=4 51 B14R2.601 NC(=O)C1=CC=C2N=C(Cl)SC2=C1 CS-0771641 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.601 NC(=O)C1=CC=C2N=C(N)SC2=C1 CS-0117940 [0,1,0,0,0,1|2,0,0]=4 53 B14R2.601 NC1=NC2=C(C=C(C(=O)O)C=C2)O1 CS-0541722 [0,1,0,0,0,1|1,1,0]=4 54 B14R2.601 NC1=NC2=CC(C(=O)O)=CC=C2S1 CS-0112576 [0,1,0,0,0,1|1,0,0]=3 55 B14R2.601 O=C(O)C1=CC=C2N=C(S)OC2=C1 CS-0217646 [0,1,0,0,0,1|1,1,0]=4 56 B14R2.624 O=C(O)C1=C(F)C=C2N=CNC2=C1 CS-0698920 [0,1,0,0,0,1|2,0,0]=4 57 B14R2.966 COC(=O)C1=CC=C2C=CSC2=C1 CS-0642304 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.5719 CN1C=NC2=CC(C(=O)O)=CN=C21 CS-0080835 [0,1,0,0,0,1|2,0,0]=4 59 B14R2.8824 O=C(O)C1=CC(Br)=C2NC=NC2=C1 CS-0884076 [0,1,0,0,0,1|2,0,0]=4 60 B14R2.8824 O=C(O)C1=CC(Cl)=C2NC=NC2=C1 CS-0529523 [0,1,0,0,0,1|2,0,0]=4 61 B14R2.450 O=C(O)C1=C(I)C2=CC=CC=C2N1 CS-0448015 [0,1,0,0,0,1|2,0,0]=4 62 B14R2.972 COC(=O)C1=CC2=CC=NC=C2N1 CS-0183735 [0,1,0,0,0,1|1,0,0]=3 63 B14R2.4529 NC1=CC=C2NC(C(=O)O)=CC2=C1 CS-0309268 [0,1,0,0,0,1|2,0,0]=4 64 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 CS-0050555 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2S1 CS-0506258 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.4529 O=C(O)C1=CC2=CN=C(Cl)N=C2N1 CS-0055227 [0,1,0,0,0,1|1,0,0]=3 67 B14R2.4529 O=C(O)C1=CC2=NC(Cl)=CC=C2N1 CS-0053831 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.7969 NC1=C2C=C(C(=O)O)NC2=CC=C1 CS-0156992 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 CS-0050947 [0,1,0,0,0,1|1,0,0]=3 70 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2S1 CS-0757828 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=NC=C2N1 CS-0470678 [0,1,0,0,0,1|1,0,0]=3 72 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)S1 CS-0050882 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=NC=C2 CS-0112301 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)S1 CS-0188221 [0,2,0,0,0,0|2,0,0]=4 75 B14R2.839 CCOC(=O)C1=CC2=C(N=CS2)N1 CS-0049459 [0,2,0,0,0,0|0,0,0]=2 76 B10R1.23 NC(C(=O)O)C1=CC=CS1 CS-0307913 [0,0,1,0,1,0|1,0,1]=4 77 B10R1.23 [C@@H](N)(C(=O)O)C1=CC=CS1 CS-W010913 [0,0,1,0,1,0|1,0,1]=4 78 B10R1.23 [C@H](N)(C(=O)O)C1=CC=CS1 CS-W017972 [0,0,1,0,1,0|1,0,1]=4 79 B12R2.32 O=CC1=CC2=CC=NC=C2S1 CS-0215782 [1,0,0,0,0,1|2,0,0]=4 80 B12R2.32 OCC1=CC2=CC=CN=C2N1 CS-0053832 [1,0,0,0,0,1|1,0,1]=4 81 B12R2.44 OCC1=CC2=C(C=C1)SC=N2 CS-W022583 [1,0,0,0,0,1|1,0,1]=4 82 B14R2.781 O=C(O)C1=CC2=C(N=CC=N2)N=C1 CS-0233722 [0,0,0,0,0,2|1,0,1]=4 83 B14R2.781 O=C(O)C1=CC2=NC=CN=C2C=C1 CS-0681584 [0,0,0,0,0,2|2,0,0]=4