0 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.69 CC1=C(N=C(C=C1)Cl)I ADE001345 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.69 CC1=C(N=C(N=C1)N)O CBR00408 [0,0,0,0,0,0|1,0,3]=4 7 B9R1.69 CC1=C(N=C(N=C1)S)S S783498 [0,0,0,0,0,0|0,2,2]=4 8 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.69 CC1=CN=C(C=C1I)Cl ADE000739 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.69 CC1=CNC(=S)NC1=O R427195 [0,0,0,0,0,0|0,1,0]=1 11 B9R1.69 CC1=NC(=C(C=N1)C)Cl CBR00286 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.69 CC1=NNC(=O)NC1=S OTV000356 [0,0,0,0,0,0|1,1,0]=2 13 B9R1.69 CC1CNC(=O)NC1=O S412295 [0,0,0,0,0,0|0,0,2]=2 14 B9R1.69 CN1CCC(=O)NC1=S S859176 [0,0,0,0,0,0|2,1,1]=4 15 B9R1.69 N1C(=O)NN=C(C1=O)Br S948837 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.69 N1NC(=O)C(=CC1=O)C S540862 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.69 O=C1C=C(C(=NN1)Cl)Cl T163503 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.69 O=C1NC=C(C(=S)N1)F R538280 [0,0,0,0,0,0|1,1,0]=2 20 B9R1.69 O=C1NCC(C(=O)N1)Br S776858 [0,0,0,0,0,0|1,0,2]=3 21 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [1,0,0,0,0,0|1,0,2]=4 22 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [1,0,0,0,0,0|0,0,3]=4 23 B8R1.3 CC1=CNC(=O)C=C1 T162647 [1,0,0,0,0,0|1,0,0]=2 24 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.3 CC1=NNC(=O)CC1 R750921 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.4 CC1=CC(=O)NC=C1 T162655 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.4 CC1=CC=CC(=O)N1 S766364 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.4 CC1=CC=NC(=O)C1 S681601 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.4 O=C1C=C(C=NN1)Cl CDS021192 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.4 O=C1C=C(C=NN1)I SYX00367 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.4 O=C1CNCC(=O)N1 CDS019497 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.4 O=C1CSCC(=O)N1 R305316 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.4 O=C1NCNC(=O)N1 S347531 [1,0,0,0,0,0|1,0,1]=3 38 B8R1.5 CC1=CN=CC=C1N CDS003217 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.5 O=C1NC=CC=C1Cl T161063 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.22 CC1=C(C(=O)CC(=O)O1)C PH016843 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.22 CC1=C(C(=O)NC(=O)N1)I T340561 [0,1,0,0,0,0|1,0,0]=2 42 B10R1.22 CC1=CC(=C(C(=O)O1)C)O S763454 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.22 N1C(=O)NC(=O)C(=C1N)N S504386 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.25 C#CC1=CNC(=O)N=C1O CDS021333 [0,1,0,0,0,0|0,0,3]=4 45 B10R1.25 CCN1C=CC(=O)NC1=O S787973 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.25 CCN1CCC(=O)NC1=O S932698 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.30 CC1=C(N=C(C=C1)Cl)C=O ADE001377 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.30 COC1=C(C=NC(=O)N1)F CBR01600 [0,1,0,0,0,0|1,0,2]=4 51 B10R1.30 COC1=NC(=O)NC=C1C T263567 [0,1,0,0,0,0|0,0,2]=3 52 B10R1.63 CC1(CNC(=O)NC1=O)Br S571385 [0,1,0,0,0,0|0,0,2]=3 53 B10R1.118 CC1=CC(=O)C(=CC1=O)Br R164224 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.118 CC1=CC(=O)C(=CN1C)O CBR02163 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.118 CN1CC(C(=O)NC1=O)Br S859559 [0,1,0,0,0,0|1,0,2]=4 56 B8R0.19 COC(=O)NC(=O)CCl PH010166 [0,0,1,0,0,0|3,0,0]=4 57 B8R1.18 CC1=C(OC(=O)O1)C TMT00459 [0,0,0,0,1,0|3,0,0]=4 58 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,0,0,0,1,0|0,0,0]=1 59 B8R1.18 CN1N=C(NC1=O)Br CDS021279 [0,0,0,0,1,0|2,0,1]=4 60 B8R1.18 O=C1NC(=O)C(N1)O CDS005149 [0,0,0,0,1,0|1,0,1]=3 61 B8R1.18 O=C1NC(=S)NC1=O S763624 [0,0,0,0,1,0|1,1,0]=3 62 B8R1.50 CC1=NNC(=C1C)C CBR00071 [0,0,0,0,1,0|3,0,0]=4 63 B8R1.50 CC1=NNC(=C1N)C L203173 [0,0,0,0,1,0|3,0,0]=4 64 B8R1.50 CC1=NNC(=C1O)C S720429 [0,0,0,0,1,0|2,0,1]=4 65 B10R1.277 CC1=CC=CC(C(=O)N1)C T161365 [0,0,0,0,0,1|2,0,1]=4 66 B10R1.330 O=C1CNC(=O)NC(=O)C1 CDS015044 [0,0,0,0,0,1|1,0,1]=3 67 B7R0.5 C(=O)NC(C)C(=O)O L159670 [1,0,1,0,0,0|1,0,1]=4 68 B7R0.6 C(=C\C(=O)N)\C(=O)N S753254 [1,0,1,0,0,0|2,0,0]=4 69 B7R0.6 C=C(C)COC(=O)N S352055 [1,0,1,0,0,0|1,0,1]=4 70 B7R0.6 CC(=NNC(=O)N)C S449784 [1,0,1,0,0,0|1,0,1]=4 71 B7R0.6 NC(=O)NCC(=O)O L100056 [1,0,1,0,0,0|1,0,1]=4 72 B7R0.6 NC(=O)NNC(=O)N S371467 [1,0,1,0,0,0|2,0,0]=4 73 B7R0.2 CNC(=O)NC(=O)C S411868 [1,0,1,0,0,0|0,0,1]=3 74 B7R0.2 COC(=O)NC(=O)N S876178 [1,0,1,0,0,0|1,0,0]=3 75 B7R0.2 NC(=O)NC(=O)CCl PH011412 [1,0,1,0,0,0|1,0,1]=4 76 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|1,0,0]=3 77 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|1,0,0]=3 78 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|2,0,0]=4 79 B7R1.3 O=C1CSC=CN1 OTV000696 [2,0,0,0,0,0|2,0,0]=4 80 B9R0.7 CC(=C/C=C(\C)/C(=O)N)C S880884 [0,1,1,0,0,0|2,0,0]=4 81 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,1,0,0,0,0|1,0,1]=4 82 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [1,1,0,0,0,0|1,0,1]=4 83 B9R1.2 NNC1=NC(=O)NC=C1 SYX00184 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.3 CC1=CC=CC(=O)N1C T294608 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [1,1,0,0,0,0|1,0,1]=4 86 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [1,1,0,0,0,0|1,0,1]=4 87 B9R1.34 CC1=CC(=NC(=O)N1)C PH000309 [1,1,0,0,0,0|1,0,1]=4 88 B9R1.34 CC1=NC(=O)CC(=O)N1 S216828 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.34 N1C(=O)NC(=O)C=C1Cl S783242 [1,1,0,0,0,0|0,0,0]=2 90 B9R1.34 N1C(=O)NC(=O)CC1C S533564 [1,1,0,0,0,0|0,0,2]=4 91 B9R1.34 N1C(=S)C=C(NC1=S)C S70662 [1,1,0,0,0,0|0,2,0]=4 92 B9R1.34 NC1=CC(=O)NC(=S)N1 OTV000203 [1,1,0,0,0,0|0,1,0]=3 93 B9R1.34 O=C1CC(=O)NC(=S)[N-]1 S564508 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [1,1,0,0,0,0|1,0,1]=4 96 B9R1.22 C(=O)C1=C(NC(=C1)C)C CDS008742 [0,1,0,0,1,0|2,0,0]=4 97 B9R1.22 CNC1CC(=O)NC1=O PH018276 [0,1,0,0,1,0|0,0,2]=4 98 B9R1.22 O=C1NC(=O)[C@@H](N1)CO PH011479 [0,1,0,0,1,0|0,0,1]=3 99 B9R1.23 C(=O)C1=NC(=C(N1)C)C CDS016039 [0,1,0,0,1,0|1,0,1]=4 100 B9R1.37 CC1=C(N(C(=O)N1)C)C CBR02435 [0,1,0,0,1,0|1,0,0]=3 101 B9R1.37 CC1C(=O)CC(=O)C1=O PH004761 [0,1,0,0,1,0|1,0,1]=4 102 B9R1.37 CC1NC(=O)N(C1=O)C CBR02204 [0,1,0,0,1,0|0,0,1]=3 103 B9R1.37 CC1NC(=S)N(C1=O)C PH002723 [0,1,0,0,1,0|0,1,1]=4 104 B9R1.37 CN1C(=O)NC(=O)C1=O CBR02185 [0,1,0,0,1,0|1,0,0]=3 105 B9R1.37 O=C1CC(=O)C(=C1Cl)Cl L161292 [0,1,0,0,1,0|2,0,0]=4 106 B9R1.37 O=C1OC(=O)C(=C1Br)Br S952346 [0,1,0,0,1,0|2,0,0]=4 107 B9R1.38 N1C(=O)CC(C1=O)(C)C S950858 [0,1,0,0,1,0|0,0,2]=4 108 B9R1.27 C(=O)C1=C(NN=C1C)C CBR00099 [0,1,0,0,1,0|2,0,0]=4 109 B11R1.32 CC1=CC(=O)N(C(=O)N1C)C R904201 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.32 N1C(=O)C(=C(C(=C1C)C)Cl)Cl S894567 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.464 C(=O)C1=C(NC(=O)NC1=O)N CBR01912 [0,2,0,0,0,0|0,0,1]=3 112 B11R1.464 CCC1C(=O)NC(=O)NC1=O PH006786 [0,2,0,0,0,0|0,0,1]=3 113 B11R1.464 N1C(=O)NC(=O)C(=C1C)CO S462101 [0,2,0,0,0,0|0,0,0]=2 114 B11R1.553 N1C(=O)NC(=O)C(C1O)(C)Br S25039 [0,2,0,0,0,0|0,0,2]=4 115 B11R1.81 CCCN1C=CC(=O)NC1=O PH009552 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.81 CCSC1=NNC(=O)NC1=S L151432 [0,2,0,0,0,0|1,1,0]=4 117 B11R1.81 N1C=C(C(=O)NC1=O)COC S244279 [0,2,0,0,0,0|0,0,0]=2 118 B11R1.166 O=C(O)C1=CNC(=S)NC1=O PH000413 [0,2,0,0,0,0|0,1,1]=4 119 B11R1.166 O=C1NC=C(C(=O)N1)B(O)O CDS001345 [0,2,0,0,0,0|1,0,0]=3 120 B11R1.166 O=C1NN=C(C(=O)N1)C(=O)O PH008629 [0,2,0,0,0,0|1,0,1]=4 121 B11R1.279 COC1=CNC(=CC1=O)CO L307963 [0,2,0,0,0,0|1,0,1]=4 122 B11R1.279 COC1=COC(=CC1=O)C=O PH008671 [0,2,0,0,0,0|2,0,0]=4 123 B9R1.7 CC1=CSC(=N1)NC=O PH009361 [0,0,1,1,0,0|2,0,0]=4 124 B9R1.35 O=C1NC=C(N1)C(=O)O CBR00002 [0,0,1,1,0,0|2,0,0]=4 125 B11R2.36 O=C1C=CC2=C(N1)CCC2 T327182 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.2 CC1=NNC(=C1)N CDS004036 [1,0,0,0,1,0|2,0,0]=4