0 B12R2.252 NC(=O)C1=CC2=C(C=CS2)N1 SC-50042 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 SC-90437 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.252 O=C(O)C1=CC2=C(C=NN2)S1 SC-51658 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.252 O=C(O)C1=CC2=C(CSC2)S1 SC-50086 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CS2 SC-35247 [0,1,0,0,0,0|1,0,0]=2 5 B11R1.35 C[C@H](NC1=CSC=C1)C(=O)O SC-91971 [0,0,1,0,0,0|1,0,2]=4 6 B11R1.35 C[C@H](NC1=CSC=N1)C(=O)O SC-62606 [0,0,1,0,0,0|0,0,2]=3 7 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O SC-11219 [0,0,1,0,0,0|1,0,2]=4 8 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O SC-71446 [0,0,1,0,0,0|2,0,1]=4 9 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 SC-03835 [0,0,0,0,0,1|1,0,0]=2 10 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 SC-01580 [0,0,0,0,0,1|2,0,1]=4 11 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 SC-65967 [0,0,0,0,0,1|2,0,0]=3 12 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 SC-01581 [0,0,0,0,0,1|2,0,1]=4 13 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 SC-12527 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 SC-02076 [0,0,0,0,0,1|3,0,0]=4 15 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 SC-68712 [0,0,0,0,0,1|2,1,0]=4 16 B13R2.430 O=C(O)C1=CC=C2N=CNC2=C1 SC-22504 [0,0,0,0,0,1|2,0,0]=3 17 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 SC-03746 [0,0,0,0,0,1|1,1,0]=3 18 B13R2.430 O=C(O)C1=CC=C2N=CSC2=N1 SC-90911 [0,0,0,0,0,1|2,0,0]=3 19 B13R2.430 O=C(O)C1=CC=C2NC=CC2=N1 SC-B8103 [0,0,0,0,0,1|2,0,1]=4 20 B13R2.430 O=C(O)C1=CC=C2NN=NC2=C1 SC-13679 [0,0,0,0,0,1|3,0,0]=4 21 B13R2.430 O=C(O)C1=CC=C2SC=NC2=C1 SC-48827 [0,0,0,0,0,1|1,0,0]=2 22 B13R2.430 O=C(O)C1=CN2C=CC=C2CN1 SC-A2254 [0,0,0,0,0,1|3,0,0]=4 23 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 SC-40242 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.430 O=C(O)C1=CN=C2N=CNC2=C1 SC-89979 [0,0,0,0,0,1|1,0,1]=3 25 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 SC-27524 [0,0,0,0,0,1|1,0,2]=4 26 B13R2.430 O=C(O)C1=NC2=C(C=CN2)C=C1 SC-12139 [0,0,0,0,0,1|1,0,2]=4 27 B13R2.430 O=[N+]([O-])C1=CC=C2N=CSC2=C1 SC-28688 [0,0,0,0,0,1|2,0,1]=4 28 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 SC-50143 [0,0,0,0,0,1|3,0,0]=4 29 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 SC-04821 [0,0,0,0,0,1|3,0,0]=4 30 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 SC-13722 [0,0,0,0,0,1|3,0,0]=4 31 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 SC-89324 [0,0,0,0,0,1|2,0,0]=3 32 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 SC-44704 [0,0,0,0,0,1|2,0,1]=4 33 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 SC-03119 [0,0,0,0,0,1|3,0,0]=4 34 B10R1.66 O=C(O)\C=C\C1=CC=CN1 SC-39811 [1,0,1,0,0,0|2,0,0]=4 35 B10R1.66 O=C(O)\C=C\C1=CN=CN1 SC-00208 [1,0,1,0,0,0|1,0,0]=3 36 B10R1.66 O=C(O)\C=C\C1=COC=C1 SC-84399 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.31 O=CC1=CC=C(C(=O)O)O1 SC-49791 [1,0,1,0,0,0|1,1,0]=4 38 B10R1.31 O=CC1=CC=C(C(=O)O)S1 SC-26146 [1,0,1,0,0,0|1,1,0]=4 39 B12R1.389 CC(=O)NC1=CNC(C(=O)O)=C1 SC-92095 [0,1,1,0,0,0|2,0,0]=4 40 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)S1 SC-30839 [0,1,0,0,0,1|1,0,0]=3 41 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2O1 SC-12727 [0,1,0,0,0,1|1,1,0]=4 42 B14R2.601 NC1=NC2=CC(C(=O)O)=CC=C2N1 SC-82427 [0,1,0,0,0,1|2,0,0]=4 43 B14R2.601 O=C(O)C1=CC=C2N=C(Cl)SC2=C1 SC-27998 [0,1,0,0,0,1|1,0,0]=3 44 B14R2.966 COC(=O)C1=CC=C2NC=NC2=C1 SC-93361 [0,1,0,0,0,1|2,0,0]=4 45 B14R2.966 COC(=O)C1=CC=C2OC=NC2=C1 SC-93280 [0,1,0,0,0,1|1,1,0]=4 46 B14R2.450 CC1=C(C(=O)O)NC2=C1C=CC=C2 SC-A4121 [0,1,0,0,0,1|2,0,0]=4 47 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 SC-00571 [0,1,0,0,0,1|2,0,0]=4 48 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 SC-27296 [0,1,0,0,0,1|1,0,0]=3 49 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 50 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 51 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 52 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 53 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 54 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CN=C2N1 SC-35569 [0,1,0,0,0,1|1,0,0]=3 55 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 SC-46131 [0,1,0,0,0,1|2,0,0]=4 56 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 SC-01587 [0,1,0,0,0,1|2,0,0]=4 57 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2N1 SC-35390 [0,1,0,0,0,1|1,0,0]=3 58 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 SC-B8121 [0,1,0,0,0,1|2,0,0]=4 59 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)N1 SC-01586 [0,1,0,0,0,1|2,0,0]=4 60 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)N1 SC-61032 [0,1,0,0,0,1|2,0,0]=4 61 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 62 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 63 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 SC-45731 [0,1,0,0,0,1|2,0,0]=4 64 B14R2.839 CCOC(=O)C1=CC2=C(C=CO2)N1 SC-32517 [0,2,0,0,0,0|1,1,0]=4 65 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)N1 SC-84093 [0,2,0,0,0,0|1,0,0]=3 66 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)S1 SC-90436 [0,2,0,0,0,0|2,0,0]=4 67 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 SC-87209 [1,0,0,0,0,1|2,0,0]=4 68 B12R2.32 O=CC1=CC2=C(C=NC=C2)N1 SC-13529 [1,0,0,0,0,1|1,0,0]=3 69 B12R2.44 O=CC1=CC2=C(C=C1)SC=C2 SC-27626 [1,0,0,0,0,1|2,0,0]=4 70 B12R2.44 O=CC1=CC=C2OC=NC2=C1 SC-66823 [1,0,0,0,0,1|1,1,0]=4 71 B12R2.44 OCC1=CC2=C(C=C1)N=CS2 SC-24778 [1,0,0,0,0,1|1,0,1]=4 72 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 73 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=C1 SC-19996 [0,0,0,0,0,2|2,0,0]=4 74 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 SC-00145 [0,0,0,0,0,2|2,0,0]=4 75 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 SC-49701 [0,0,0,0,0,2|1,0,1]=4 76 B14R2.1008 O=C(O)CC1=CC=C2NC=NC2=C1 SC-53219 [0,0,0,0,0,2|2,0,0]=4