0 B12R2.252 NC(=O)C1=CC2=C(C=CO2)N1 SC-50041 [0,0,0,0,0,0|2,1,0]=3 1 B12R2.252 NC(=O)C1=CC2=C(C=CS2)N1 SC-50042 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 SC-90437 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.252 O=C(O)C1=CC2=C(C=NN2)S1 SC-51658 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.252 O=C(O)C1=CC2=C(CSC2)S1 SC-50086 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.2334 O=C(O)C1=C(Cl)C2=C(C=CO2)S1 SC-39040 [0,1,0,0,0,0|2,1,0]=4 6 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CS2 SC-35247 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.35 C[C@H](NC1=CSC=C1)C(=O)O SC-91971 [0,0,1,0,0,0|1,0,2]=4 8 B11R1.35 C[C@H](NC1=CSC=N1)C(=O)O SC-62606 [0,0,1,0,0,0|0,0,2]=3 9 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O SC-11219 [0,0,1,0,0,0|1,0,2]=4 10 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O SC-71446 [0,0,1,0,0,0|2,0,1]=4 11 B11R1.90 CC1=C(\C=C\C(=O)O)NC=N1 SC-40847 [0,0,1,0,0,0|2,0,0]=3 12 B11R1.90 O=C(O)\C=C\C1=C(Cl)C=CS1 SC-39131 [0,0,1,0,0,0|2,0,0]=3 13 B13R2.430 NC(=O)C1=CC=C2NC=NC2=C1 SC-69446 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 SC-03835 [0,0,0,0,0,1|1,0,0]=2 15 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 SC-01580 [0,0,0,0,0,1|2,0,1]=4 16 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 SC-07269 [0,0,0,0,0,1|2,1,0]=4 17 B13R2.430 O=C(O)C1=CC2=C(C=N1)NC=N2 SC-52588 [0,0,0,0,0,1|2,0,0]=3 18 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 SC-12527 [0,0,0,0,0,1|3,0,0]=4 19 B13R2.430 O=C(O)C1=CC2=NC=NN2C=C1 SC-52854 [0,0,0,0,0,1|3,0,0]=4 20 B13R2.430 O=C(O)C1=CC2=NSN=C2C=C1 SC-13922 [0,0,0,0,0,1|3,0,0]=4 21 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 SC-68712 [0,0,0,0,0,1|2,1,0]=4 22 B13R2.430 O=C(O)C1=CC=C2N=CNC2=C1 SC-22504 [0,0,0,0,0,1|2,0,0]=3 23 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 SC-03746 [0,0,0,0,0,1|1,1,0]=3 24 B13R2.430 O=C(O)C1=CC=C2N=CSC2=N1 SC-90911 [0,0,0,0,0,1|2,0,0]=3 25 B13R2.430 O=C(O)C1=CC=C2NC=CC2=N1 SC-B8103 [0,0,0,0,0,1|2,0,1]=4 26 B13R2.430 O=C(O)C1=CC=C2SC=NC2=C1 SC-48827 [0,0,0,0,0,1|1,0,0]=2 27 B13R2.430 O=C(O)C1=CC=C2SN=NC2=C1 SC-19700 [0,0,0,0,0,1|2,0,0]=3 28 B13R2.430 O=C(O)C1=CN2C=CC=C2CN1 SC-A2254 [0,0,0,0,0,1|3,0,0]=4 29 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 SC-40242 [0,0,0,0,0,1|3,0,0]=4 30 B13R2.430 O=C(O)C1=CN=C2N=CNC2=C1 SC-89979 [0,0,0,0,0,1|1,0,1]=3 31 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 SC-27524 [0,0,0,0,0,1|1,0,2]=4 32 B13R2.430 O=C(O)C1=NC2=C(C=CN2)C=C1 SC-12139 [0,0,0,0,0,1|1,0,2]=4 33 B13R2.430 O=[N+]([O-])C1=CC=C2N=CSC2=C1 SC-28688 [0,0,0,0,0,1|2,0,1]=4 34 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 SC-50143 [0,0,0,0,0,1|3,0,0]=4 35 B13R2.435 NC(=O)C1=CC2=CC=CC=C2N1 SC-50743 [0,0,0,0,0,1|3,0,0]=4 36 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)N1 SC-62785 [0,0,0,0,0,1|3,0,0]=4 37 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 SC-13722 [0,0,0,0,0,1|3,0,0]=4 38 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 SC-89324 [0,0,0,0,0,1|2,0,0]=3 39 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 SC-44704 [0,0,0,0,0,1|2,0,1]=4 40 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 SC-03119 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.66 O=C(O)\C=C\C1=CC=CS1 SC-47960 [1,0,1,0,0,0|1,0,0]=3 42 B10R1.66 O=C(O)\C=C\C1=CN=CN1 SC-00208 [1,0,1,0,0,0|1,0,0]=3 43 B10R1.66 O=C(O)\C=C\C1=COC=C1 SC-84399 [1,0,1,0,0,0|2,0,0]=4 44 B10R1.66 O=C(O)\C=C\C1=NC=CS1 SC-39350 [1,0,1,0,0,0|2,0,0]=4 45 B10R1.31 O=CC1=CC=C(C(=O)O)O1 SC-49791 [1,0,1,0,0,0|1,1,0]=4 46 B10R1.31 O=CC1=CC=C(C(=O)O)S1 SC-26146 [1,0,1,0,0,0|1,1,0]=4 47 B10R2.2 O=C1CC2=C(C=CS2)N1 SC-27722 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.298 N#C\C(=C/C1=CC=CS1)C(=O)O SC-62502 [0,1,1,0,0,0|1,0,1]=4 49 B14R2.601 CC(=O)C1=CC=C2N=C(Br)SC2=C1 SC-31552 [0,1,0,0,0,1|2,0,0]=4 50 B14R2.601 CC(=O)C1=CC=C2N=C(N)SC2=C1 SC-31566 [0,1,0,0,0,1|2,0,0]=4 51 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)S1 SC-30839 [0,1,0,0,0,1|1,0,0]=3 52 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2O1 SC-12727 [0,1,0,0,0,1|1,1,0]=4 53 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2S1 SC-30635 [0,1,0,0,0,1|1,0,0]=3 54 B14R2.601 NC1=NC2=C(C=CC(C(=O)O)=C2)S1 SC-21389 [0,1,0,0,0,1|1,0,0]=3 55 B14R2.601 NC1=NC2=CC(C(=O)O)=CC=C2N1 SC-82427 [0,1,0,0,0,1|2,0,0]=4 56 B14R2.601 NC1=NC2=CC=C(C(=O)O)C=C2S1 SC-28204 [0,1,0,0,0,1|1,0,0]=3 57 B14R2.601 NC1=NC2=CC=C(C(=O)O)C=C2S1 SC-31851 [0,1,0,0,0,1|1,0,0]=3 58 B14R2.966 COC(=O)C1=CC2=C(C=C1)SN=N2 SC-45708 [0,1,0,0,0,1|2,0,0]=4 59 B14R2.966 COC(=O)C1=CC2=C(C=N1)SC=C2 SC-25379 [0,1,0,0,0,1|2,0,0]=4 60 B14R2.966 COC(=O)C1=CC=C2NC=NC2=C1 SC-93361 [0,1,0,0,0,1|2,0,0]=4 61 B14R2.966 COC(=O)C1=CC=C2OC=NC2=C1 SC-93280 [0,1,0,0,0,1|1,1,0]=4 62 B14R2.966 COC(=O)C1=CN=C2N=CNC2=C1 SC-52745 [0,1,0,0,0,1|1,0,1]=4 63 B14R2.966 COC(=O)C1=NC=C2C=CSC2=C1 SC-51245 [0,1,0,0,0,1|1,0,1]=4 64 B14R2.5998 O=C(O)C1=CN=C2C=CSC2=C1Cl SC-B6956 [0,1,0,0,0,1|1,0,1]=4 65 B14R2.450 CC1=C(C(=O)O)NC2=C1C=CC=C2 SC-A4121 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=C2)N1 SC-59877 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=NC=C2)S1 SC-39042 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 SC-27296 [0,1,0,0,0,1|1,0,0]=3 69 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 SC-20916 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 SC-65659 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.4529 NC1=CC2=C(C=C1)C=C(C(=O)O)N2 SC-44970 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 SC-01590 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)N1 SC-91803 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 SC-03312 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 SC-21493 [0,1,0,0,0,1|2,0,0]=4 76 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 SC-06533 [0,1,0,0,0,1|2,0,0]=4 77 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 SC-65534 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.4529 O=C(O)C1=CC2=C(C=NC(Cl)=C2)N1 SC-24201 [0,1,0,0,0,1|1,0,0]=3 79 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 SC-46131 [0,1,0,0,0,1|2,0,0]=4 80 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 SC-01587 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2N1 SC-35390 [0,1,0,0,0,1|1,0,0]=3 82 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 SC-B8121 [0,1,0,0,0,1|2,0,0]=4 83 B14R2.7969 NC1=CC=CC2=C1NC(C(=O)O)=C2 SC-70266 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)N1 SC-01586 [0,1,0,0,0,1|2,0,0]=4 85 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)N1 SC-61032 [0,1,0,0,0,1|2,0,0]=4 86 B14R2.7969 O=C(O)C1=CC2=C(C=NC=C2Br)S1 SC-30987 [0,1,0,0,0,1|2,0,0]=4 87 B14R2.7969 O=C(O)C1=CC2=C(C=NC=C2Cl)S1 SC-31106 [0,1,0,0,0,1|2,0,0]=4 88 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2S1 SC-29807 [0,1,0,0,0,1|2,0,0]=4 89 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 SC-72341 [0,1,0,0,0,1|2,0,0]=4 90 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Br)=CC=C2 SC-23313 [0,1,0,0,0,1|2,0,0]=4 91 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 SC-23210 [0,1,0,0,0,1|2,0,0]=4 92 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 SC-45731 [0,1,0,0,0,1|2,0,0]=4 93 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 SC-52059 [0,1,0,0,0,1|2,0,0]=4 94 B14R2.839 CCOC(=O)C1=CC2=C(C=CO2)N1 SC-32517 [0,2,0,0,0,0|1,1,0]=4 95 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)N1 SC-84093 [0,2,0,0,0,0|1,0,0]=3 96 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)S1 SC-90436 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.125 O=C(O)\C=C\C1=C(Cl)N=CC=C1 SC-41254 [0,0,1,0,0,1|2,0,0]=4 98 B12R1.226 O=C(O)\C=C\C1=CC(Br)=NC=C1 SC-36688 [0,0,1,0,0,1|2,0,0]=4 99 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 SC-87209 [1,0,0,0,0,1|2,0,0]=4 100 B12R2.32 O=CC1=CC2=C(C=NC=C2)N1 SC-13529 [1,0,0,0,0,1|1,0,0]=3 101 B12R2.44 O=CC1=CC2=C(C=C1)SC=C2 SC-27626 [1,0,0,0,0,1|2,0,0]=4 102 B12R2.44 O=CC1=CC=C2OC=NC2=C1 SC-66823 [1,0,0,0,0,1|1,1,0]=4 103 B12R2.44 OCC1=CC2=C(C=C1)N=CS2 SC-24778 [1,0,0,0,0,1|1,0,1]=4 104 B14R2.781 O=C(O)C1=CC2=C(C=C1)C=NC=C2 SC-25332 [0,0,0,0,0,2|2,0,0]=4 105 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)NC1 SC-69256 [0,0,0,0,0,2|2,0,0]=4 106 B14R2.781 O=C(O)C1=CC2=C(C=CN=C2)C=C1 SC-33697 [0,0,0,0,0,2|2,0,0]=4 107 B14R2.781 O=C(O)C1=CC2=CC=NC=C2N=C1 SC-49856 [0,0,0,0,0,2|1,0,1]=4 108 B14R2.781 O=C(O)C1=CC2=NC=CN=C2C=C1 SC-27045 [0,0,0,0,0,2|2,0,0]=4 109 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=C1 SC-19996 [0,0,0,0,0,2|2,0,0]=4 110 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 SC-00145 [0,0,0,0,0,2|2,0,0]=4 111 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 SC-49701 [0,0,0,0,0,2|1,0,1]=4 112 B14R2.1008 O=C(O)CC1=CC=C2NC=NC2=C1 SC-53219 [0,0,0,0,0,2|2,0,0]=4 113 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 SC-28729 [0,0,0,0,0,2|2,0,0]=4