0 B12R1.252 CC(=N)NCCC1=CC=NC=C1 CD08170 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.252 CC(=O)N\N=C\C1=CC=CC=C1 BTB12720 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.252 NC(=O)NCCC1=CC=CC=C1 RJC03754 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SB02007 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.252 O=C(O)CCOC1=CC=CC=C1 RJC00749 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.252 O=C(O)CCSC1=CC=CC=C1 JFD00825 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CD04055 [0,0,0,0,0,0|1,0,0]=1 7 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 RJC02447 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 S01990 [0,1,0,0,0,0|1,0,1]=3 9 B13R1.158 O=C(O)CCNC1=CC=CC=C1Cl RH00850 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O XBX00173 [0,1,0,0,0,0|1,0,0]=2 11 B13R1.513 CC1=CC=C(OCCC(=O)O)C=C1 RJC00750 [0,1,0,0,0,0|1,0,0]=2 12 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 JFD00826 [0,1,0,0,0,0|1,0,0]=2 13 B13R1.513 O=C(O)CCNC1=CC=C(Cl)C=C1 RH01022 [0,1,0,0,0,0|1,0,0]=2 14 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 RJC00752 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 SEW01421 [0,1,0,0,0,0|1,0,0]=2 16 B13R1.513 O=C(O)COCC1=CC=C(Br)C=C1 HTS11100 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.718 CNC(=S)NCCC1=CC=CC=C1 RDR01004 [0,1,0,0,0,0|2,1,0]=4 18 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 RDR00814 [0,1,0,0,0,0|2,1,0]=4 19 B13R1.718 [C@H](N)(CO)CSCC1=CC=CC=C1 JFD00658 [0,1,0,0,0,0|2,0,1]=4 20 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 KM05451 [0,0,0,1,0,0|2,0,0]=3 21 B13R2.72 NC(=O)C1=CCC2=C1C=CC=C2 SEW05817 [0,0,0,1,0,0|1,0,2]=4 22 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 PD00830 [0,0,0,1,0,0|2,0,1]=4 23 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 CC12701 [0,0,0,1,0,0|1,0,2]=4 24 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 CC12301 [0,0,0,1,0,0|1,0,2]=4 25 B11R1.91 N=C(N)COC1=CC=CC=C1 MO07572 [0,0,0,0,1,0|3,0,0]=4 26 B11R1.91 N=C(N)CSC1=CC=CC=C1 SPB05877 [0,0,0,0,1,0|3,0,0]=4 27 B11R1.91 NC(=O)COC1=CC=CC=C1 SPB04334 [0,0,0,0,1,0|2,0,0]=3 28 B11R1.91 NC(=O)NCC1=NC=CC=C1 BTB05401 [0,0,0,0,1,0|3,0,0]=4 29 B11R1.91 NC(=O)NNC1=CC=CC=C1 S14722 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.91 NC(=S)COC1=CC=CC=C1 SPB05907 [0,0,0,0,1,0|2,1,0]=4 31 B11R1.91 NC(=S)CSC1=CC=CC=C1 KM04192 [0,0,0,0,1,0|2,1,0]=4 32 B11R1.91 O=C(O)CCC1=CC=CN=C1 HTS01877 [0,0,0,0,1,0|1,0,0]=2 33 B11R1.91 O=C(O)CSC1=NC=CC=C1 BTB05540 [0,0,0,0,1,0|2,0,0]=3 34 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 RJC01304 [0,0,0,0,0,1|0,0,0]=1 35 B13R1.337 O=C(O)CS\C=C\C1=CC=CC=C1 S11590 [0,0,0,0,0,1|0,0,2]=3 36 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 BTB14159 [0,1,0,0,1,0|0,0,0]=2 37 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 RJC00256 [0,1,0,0,1,0|1,0,0]=3 38 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 SPB05735 [0,1,0,0,1,0|2,0,0]=4 39 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 S14532 [0,1,0,0,1,0|2,0,0]=4 40 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 RF00560 [0,1,0,0,1,0|1,0,0]=3 41 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 KM09206 [0,1,0,0,1,0|1,0,0]=3 42 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SB02005 [0,1,0,0,1,0|0,0,0]=2 43 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 JFD03490 [0,1,0,0,1,0|2,0,0]=4 44 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 HTS06398 [0,1,0,0,1,0|2,0,0]=4 45 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 CD06497 [0,1,0,0,1,0|1,0,1]=4 46 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 RH01533 [0,1,0,0,1,0|0,0,0]=2 47 B12R1.125 CC(=O)NCC1=CC=CC=C1Br NRB00715 [0,1,0,0,1,0|2,0,0]=4 48 B12R1.226 NC(=O)NCC1=CC(Cl)=CC=C1 S12185 [0,1,0,0,1,0|2,0,0]=4 49 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 BTB10644 [0,1,0,0,1,0|1,0,1]=4 50 B14R1.423 CC(=O)CNC(=O)CC1=CC=CC=C1 BTB09315 [0,1,0,0,0,1|1,0,1]=4 51 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 RH01868 [0,1,0,0,0,1|0,0,1]=3 52 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=N1 S14590 [0,1,0,0,0,1|1,0,1]=4 53 B14R1.423 O=C(O)CCC(=O)NC1=CC=CN=C1 RDR01549 [0,1,0,0,0,1|1,0,1]=4 54 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 BTB15198 [0,1,0,0,0,1|0,0,1]=3 55 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 BTB13412 [0,1,0,0,0,1|1,0,1]=4 56 B14R1.818 CC(=O)NC(C)CCC1=CC=CC=C1 JFD03491 [0,1,0,0,0,1|1,0,0]=3 57 B14R1.6449 [C@H](N)(COCC1=CC=CC=C1)C(=O)O RJC01683 [0,1,0,0,0,1|0,0,0]=2 58 B14R1.149 CC1=CC(C(=O)NCC(=O)O)=CC=C1 RH01715 [0,2,0,0,0,0|1,0,1]=4 59 B14R1.149 O=C(O)CNC(=O)C1=CC(Cl)=CC=C1 PHG00472 [0,2,0,0,0,0|1,0,1]=4 60 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1Cl RJC02443 [0,2,0,0,0,0|1,0,1]=4 61 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 RDP00222 [0,2,0,0,0,0|1,0,1]=4 62 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O S07576 [0,2,0,0,0,0|1,0,1]=4 63 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 TL00153 [0,2,0,0,0,0|0,0,1]=3 64 B14R1.678 CC1=CC=C(C(=O)NCC(=O)O)C=C1 PHG00643 [0,2,0,0,0,0|1,0,1]=4 65 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 RH00893 [0,2,0,0,0,0|0,0,1]=3 66 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 RH00125 [0,2,0,0,0,0|0,0,1]=3 67 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Br)C=C1 JFD01985 [0,2,0,0,0,0|1,0,1]=4 68 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Cl)C=C1 S11521 [0,2,0,0,0,0|1,0,1]=4 69 B14R1.813 CC(=O)CCS(=O)(=O)C1=CC=CC=C1 FM00330 [0,2,0,0,0,0|2,0,0]=4 70 B14R1.96 COC1=CC=CC=C1CCNC(N)=O S14531 [0,2,0,0,0,0|2,0,0]=4 71 B14R1.161 CC(NCC1=C(O)C=CC=C1)C(=O)O RH00576 [0,2,0,0,0,0|1,0,0]=3 72 B14R1.4464 O=C(O)CCOC1=CC=C(F)C=C1F SEW05376 [0,2,0,0,0,0|1,0,0]=3 73 B14R1.4920 CC(=O)NCCC1=C(F)C=CC=C1Cl CD07767 [0,2,0,0,0,0|2,0,0]=4 74 B14R1.679 CC(CSC1=CC=C(Cl)C=C1)C(=O)O SEW01350 [0,2,0,0,0,0|1,0,0]=3 75 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 SEW04596 [0,2,0,0,0,0|1,0,0]=3 76 B14R1.13 CNC(=O)NCCC1=CC=C(Cl)C=C1 CD08666 [0,2,0,0,0,0|2,0,0]=4 77 B14R1.13 COC(=O)CCNC1=CC=C(Cl)C=C1 EN00152 [0,2,0,0,0,0|1,0,0]=3 78 B12R1.255 O=C(O)CCCCC1=CC=CS1 JFD01271 [0,0,1,1,0,0|1,0,1]=4 79 B12R2.1081 O=C1CSCC2=C1C=CC=C2 CD04109 [1,0,0,1,0,0|1,0,0]=3 80 B12R2.1081 OC1CCOC2=C1C=CC=C2 JFD00618 [1,0,0,1,0,0|1,0,1]=4 81 B12R2.1081 S=C1NCCC2=CC=CC=C12 MWP00430 [1,0,0,1,0,0|1,1,0]=4 82 B12R2.24 O=C1COC2=CC=CC=C2O1 RH00750 [0,0,0,1,1,0|1,0,0]=3 83 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 RB00326 [0,0,0,1,1,0|2,0,0]=4 84 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 RH01882 [0,0,0,1,0,1|0,0,2]=4 85 B14R2.2 O=C(O)CC1=CSC2=C1C=CC=C2 S11080 [0,0,0,1,0,1|0,0,2]=4 86 B14R2.2 O=C(O)CC1=NOC2=CC=CC=C21 KM10833 [0,0,0,1,0,1|1,0,1]=4 87 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 RH00053 [0,1,0,1,0,0|1,0,1]=4 88 B14R2.25733 O=C1CC(C(=O)O)C2=C1C=CC=C2 BTB10091 [0,1,0,1,0,0|0,0,1]=3 89 B14R2.300 CC(=O)N1CCC2=CC(Br)=CC=C21 KM08258 [0,1,0,1,0,0|2,0,0]=4 90 B14R2.8053 CC(=O)N1CCC2=CC=CC(N)=C21 RH00439 [0,1,0,1,0,0|2,0,0]=4 91 B14R2.256 O=C1CSC(C2=CC=CC=C2F)N1 S08239 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 CC24101 [0,1,0,1,0,0|1,0,1]=4 93 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 JFD02927 [0,1,0,1,0,0|1,0,0]=3 94 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 SB01676 [0,1,0,1,0,0|1,0,0]=3 95 B14R2.781 O=C(O)C1CCC2=CC=CC=C2C1 BTB10042 [0,1,0,1,0,0|0,0,0]=2 96 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 RJC01246 [0,1,0,1,0,0|0,0,0]=2 97 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 CC01501 [0,1,0,1,0,0|1,0,0]=3 98 B14R2.738 CC1CC(=O)NC2=C(C=CC=C2)S1 RJC00303 [0,1,0,1,0,0|2,0,0]=4 99 B14R2.738 CC1CC(=O)NC2=CC=CC=C2O1 JFD00283 [0,1,0,1,0,0|2,0,0]=4 100 B14R2.20 O=C1CCN(C2=CC=C(Cl)C=C2)N1 BTB10095 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.18 NC(=S)CC1=CC=CC=C1 DP01377 [0,0,0,0,2,0|1,1,0]=4 102 B10R1.66 O=C(O)CCC1=CC=CS1 RJC01494 [0,0,0,0,2,0|1,0,0]=3 103 B14R1.422 O=C(O)CCS\C=C\C1=CC=CC=C1 S11610 [0,0,0,0,0,2|0,0,1]=3 104 B14R1.422 O=C(O)CSCCOC1=CC=CC=C1 KM06649 [0,0,0,0,0,2|0,0,0]=2