0 B9R1.34 CC1=CC(=CC(=C1)Br)F CDS003810 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [0,0,0,0,0,0|1,1,2]=4 4 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [0,0,0,0,0,0|1,1,1]=3 5 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [0,0,0,0,0,0|1,1,1]=3 6 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.34 CC1=CC(=NC(=N1)C)C PH009718 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.34 CC1=CC(=NC(=N1)N)C S936685 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.34 CC1=CC(=NC(=N1)O)C S368512 [0,0,0,0,0,0|1,1,2]=4 10 B9R1.34 CC1=CC(=NC(=N1)S)C R432288 [0,0,0,0,0,0|1,0,3]=4 11 B9R1.34 CC1=CC(=NC(=N1)S)C S439029 [0,0,0,0,0,0|1,0,3]=4 12 B9R1.34 CC1=CC(=NC(=O)N1)C PH000309 [0,0,0,0,0,0|1,1,1]=3 13 B9R1.34 CC1=CC(=S)C=C(O1)C S874272 [0,0,0,0,0,0|3,1,0]=4 14 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S24105 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S626848 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S920134 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.34 CC1=NC(=O)CC(=O)N1 S216828 [0,0,0,0,0,0|2,1,0]=3 18 B9R1.34 N1C(=O)NC(=O)C=C1Cl S783242 [0,0,0,0,0,0|1,1,0]=2 19 B9R1.34 N1C(=O)NC(=O)CC1C S533564 [0,0,0,0,0,0|0,1,2]=3 20 B9R1.34 N1C(=S)C=C(NC1=S)C S70662 [0,0,0,0,0,0|0,1,0]=1 21 B9R1.34 N1C(=S)N=C(C=C1C)C S25004 [0,0,0,0,0,0|1,0,1]=2 22 B9R1.34 NC1=CC(=O)NC(=S)N1 OTV000203 [0,0,0,0,0,0|1,0,0]=1 23 B9R1.34 O=C1CC(=O)NC(=S)[N-]1 S564508 [0,0,0,0,0,0|1,0,2]=3 24 B8R1.4 CC1=CC(=O)NC=C1 T162655 [1,0,0,0,0,0|1,0,0]=2 25 B8R1.4 CC1=CC=CC(=C1)N R647047 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.4 CC1=CC=CC(=O)N1 S766364 [1,0,0,0,0,0|1,1,0]=3 27 B8R1.4 CC1=CC=NC(=O)C1 S681601 [1,0,0,0,0,0|1,0,2]=4 28 B8R1.4 CC1=NC=NC(=C1)S R901148 [1,0,0,0,0,0|0,1,2]=4 29 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [1,0,0,0,0,0|1,0,1]=3 30 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.4 O=C1C=C(C=NN1)Cl CDS021192 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.4 O=C1C=C(C=NN1)I SYX00367 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.4 O=C1NCNC(=O)N1 S347531 [1,0,0,0,0,0|1,1,1]=4 34 B10R1.8 C(=O)C1=CC(=NC(=C1)C)Cl JRD0371 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.8 CC1=CC(=CC(=C1)C=O)F CDS010702 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.8 CCC1=CC(=O)NC(=S)N1 OTV000340 [0,1,0,0,0,0|0,0,0]=1 37 B10R1.8 CCC1=NC(=O)CC(=O)N1 OTV000839 [0,1,0,0,0,0|2,1,0]=4 38 B10R1.8 CSC1=NC(=CC(=O)N1)C R683868 [0,1,0,0,0,0|0,0,2]=3 39 B10R1.8 CSC1=NC(=CC(=O)N1)N OTV000301 [0,1,0,0,0,0|1,0,2]=4 40 B10R1.8 NNC1=CC(=O)NC(=O)N1 CBR01789 [0,1,0,0,0,0|1,1,0]=3 41 B10R1.22 CC1=C(C(=O)CC(=O)O1)C PH016843 [0,1,0,0,0,0|2,1,0]=4 42 B10R1.22 CC1=C(C(=O)NC(=O)N1)I T340561 [0,1,0,0,0,0|0,1,0]=2 43 B10R1.22 CC1=CC(=O)C=C(N1C)C S11003 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.22 CC1=CC(=O)N(C(=C1)C)N CBR00430 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.22 CC1=CC(=O)N(C(=C1)N)C T324760 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.22 CC1=CC(=O)N(C(=N1)C)C PH007968 [0,1,0,0,0,0|1,0,1]=3 47 B10R1.22 N1C(=O)NC(=O)C(=C1N)N S504386 [0,1,0,0,0,0|1,1,0]=3 48 B10R1.329 CC1=CC(SC(=S)N1)(C)C PH006963 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.5 C/C=C/C(=O)NC(C)C PH006962 [0,0,1,0,0,0|2,0,1]=4 50 B8R1.18 CC1=C(OC(=O)O1)C TMT00459 [0,0,0,0,1,0|3,0,0]=4 51 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [0,0,0,0,1,0|2,1,0]=4 52 B8R1.18 CC1=CC(=O)C(O1)C CDS000654 [0,0,0,0,1,0|2,0,1]=4 53 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,0,0,0,1,0|0,1,0]=2 54 B8R1.18 CN1N=C(NC1=O)Br CDS021279 [0,0,0,0,1,0|2,0,1]=4 55 B8R1.18 N1C(=NC(=C1I)I)C ANV00245 [0,0,0,0,1,0|3,0,0]=4 56 B8R1.18 O=C1NC(=O)C(N1)O CDS005149 [0,0,0,0,1,0|1,1,1]=4 57 B8R1.18 O=C1NC(=S)NC1=O S763624 [0,0,0,0,1,0|1,0,0]=2 58 B10R1.330 O=C1CNC(=O)NC(=O)C1 CDS015044 [0,0,0,0,0,1|1,1,1]=4 59 B7R0.2 CNC(=O)NC(=O)C S411868 [1,0,1,0,0,0|0,1,1]=4 60 B7R0.2 COC(=O)/C=C(/C)\N S613886 [1,0,1,0,0,0|1,0,1]=4 61 B7R0.2 COC(=O)NC(=O)N S876178 [1,0,1,0,0,0|1,1,0]=4 62 B7R0.2 CSC(=S)NC(=S)N PH008773 [1,0,1,0,0,0|1,1,0]=4 63 B7R1.3 CC1=CC=NC=C1 T256412 [2,0,0,0,0,0|1,0,1]=4 64 B7R1.3 CC1=CC=NC=C1 T330418 [2,0,0,0,0,0|1,0,1]=4 65 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|1,0,0]=3 66 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|1,0,0]=3 67 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.3 CC1=CC=CC(=O)N1C T294608 [1,1,0,0,0,0|1,1,0]=4 70 B9R1.69 CC1=CNC(=S)NC1=O R427195 [1,1,0,0,0,0|0,0,0]=2 71 B9R1.69 CN1CCC(=O)NC1=S S859176 [1,1,0,0,0,0|0,0,2]=4 72 B9R1.69 N1C(=O)NN=C(C1=O)Br S948837 [1,1,0,0,0,0|1,1,0]=4 73 B9R1.69 N1NC(=O)C(=CC1=O)C S540862 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.69 O=C1NC=C(C(=S)N1)F R538280 [1,1,0,0,0,0|0,2,0]=4 76 B9R1.22 C(=O)C1=C(NC(=C1)C)C CDS008742 [0,1,0,0,1,0|1,0,0]=3 77 B9R1.22 O=C1NC(=O)[C@@H](N1)CO PH011479 [0,1,0,0,1,0|0,1,1]=4 78 B9R1.23 C(=O)C1=NC(=C(N1)C)C CDS016039 [0,1,0,0,1,0|2,0,0]=4 79 B9R1.37 CC1=C(C(=C(N1)C)I)I L164151 [0,1,0,0,1,0|2,0,0]=4 80 B9R1.37 CC1=C(N(C(=O)N1)C)C CBR02435 [0,1,0,0,1,0|1,1,0]=4 81 B9R1.37 CC1NC(=O)N(C1=O)C CBR02204 [0,1,0,0,1,0|0,1,1]=4 82 B9R1.37 CC1NC(=S)N(C1=O)C PH002723 [0,1,0,0,1,0|0,0,1]=3 83 B9R1.37 CN1C(=O)NC(=O)C1=O CBR02185 [0,1,0,0,1,0|1,1,0]=4 84 B9R1.37 CN1CC(=O)N(C1=S)C S986208 [0,1,0,0,1,0|1,0,1]=4 85 B9R1.38 CC1(OC(=S)NC1=O)C S630373 [0,1,0,0,1,0|1,0,1]=4 86 B11R1.678 C1(C=C(C=C(NC1=S)C)C)C T300470 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.678 CC1=CC(C(=O)NC(=C1)C)C T161217 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.14 CCC1=CC(=O)N(C(=S)N1)N PH015434 [0,2,0,0,0,0|0,0,0]=2 89 B11R1.74 CC(C)C1=CC(=O)NC(=S)N1 OTV000337 [0,2,0,0,0,0|0,0,0]=2 90 B11R1.74 CC1=CC(=CC(=O)N1)N(C)C R101338 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.74 CC1=CC(=O)C=C(N1)C(=O)O CBR02144 [0,2,0,0,0,0|1,1,0]=4 92 B11R1.74 O=C1C=C(NC(=O)N1)C(=O)O R288055 [0,2,0,0,0,0|0,1,1]=4 93 B11R1.32 CC1=C(C(=O)C(=C(N1)C)Br)Br L100307 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.32 CC1=CC(=O)N(C(=O)N1C)C R904201 [0,2,0,0,0,0|0,1,0]=3 95 B11R1.464 C(=O)C1=C(NC(=O)NC1=O)N CBR01912 [0,2,0,0,0,0|1,1,0]=4 96 B11R1.464 CC1=CC(=C(C(=O)N1)C#N)C L133671 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.464 N1C(=O)NC(=O)C(=C1C)CO S462101 [0,2,0,0,0,0|0,1,0]=3 98 B9R1.7 CC1=CSC(=N1)NC=O PH009361 [0,0,1,1,0,0|0,0,2]=4 99 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [0,0,1,1,0,0|2,0,0]=4 100 B7R1.2 CC1=NC=C(N1)I ANV00066 [1,0,0,0,1,0|2,0,0]=4 101 B7R1.2 CC1=NNC(=C1)N CDS004036 [1,0,0,0,1,0|1,0,1]=4 102 B7R1.2 O=C1C=CC(=O)O1 S453374 [1,0,0,0,1,0|1,1,0]=4 103 B7R1.4 CC1=C(N=CN1)Br CDS022318 [1,0,0,0,1,0|1,0,1]=4 104 B11R1.563 O=C1C=CCC(=O)NC(=S)N1 R961590 [0,0,0,0,0,2|1,0,0]=3