0 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SB02005 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.40 N\C(CC1=CC=CC=C1)=N/O S01215 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.91 N=C(N)COC1=CC=CC=C1 MO07572 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.91 N=C(N)CSC1=CC=CC=C1 SPB05877 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.91 NC(=O)COC1=CC=CC=C1 SPB04334 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.91 NC(=O)NCC1=NC=CC=C1 BTB05401 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.91 NC(=O)NNC1=CC=CC=C1 S14722 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.91 NC(=S)COC1=CC=CC=C1 SPB05907 [1,0,0,0,0,0|2,1,0]=4 8 B11R1.91 NC(=S)CSC1=CC=CC=C1 KM04192 [1,0,0,0,0,0|2,1,0]=4 9 B11R1.91 O=C(O)CCC1=CC=CN=C1 HTS01877 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.91 O=C(O)CSC1=NC=CC=C1 BTB05540 [1,0,0,0,0,0|2,0,0]=3 11 B13R1.418 N#CC(CC1=CC=CC=C1)C(=O)O BTB11640 [0,1,0,0,0,0|0,0,1]=2 12 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)O JFD03250 [0,1,0,0,0,0|0,0,3]=4 13 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 CC12801 [0,0,0,1,0,0|0,0,2]=3 14 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 CC06601 [0,0,0,1,0,0|1,0,2]=4 15 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 CC12201 [0,0,0,1,0,0|1,0,2]=4 16 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 KM06597 [0,0,0,1,0,0|1,0,0]=2 17 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 BTB14322 [0,0,0,1,0,0|0,0,0]=1 18 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)O1 CC23901 [0,0,0,1,0,0|1,0,0]=2 19 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 JFD03710 [0,0,0,0,1,0|0,0,0]=1 20 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 JFD03933 [0,0,0,0,1,0|1,0,0]=2 21 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O XBX00173 [0,0,0,0,0,1|1,0,0]=2 22 B10R1.18 NC(=S)CC1=CC=CC=C1 DP01377 [2,0,0,0,0,0|0,1,1]=4 23 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 BTB14159 [1,1,0,0,0,0|0,0,0]=2 24 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 RJC00256 [1,1,0,0,0,0|1,0,0]=3 25 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 SPB05735 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 S14532 [1,1,0,0,0,0|2,0,0]=4 27 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 RF00560 [1,1,0,0,0,0|1,0,0]=3 28 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 KM09206 [1,1,0,0,0,0|1,0,0]=3 29 B12R1.27 COC(=O)NCC1=CC=CC=C1 JFD01099 [1,1,0,0,0,0|1,0,0]=3 30 B12R1.27 NNC(=O)COC1=CC=CC=C1 RH01330 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.27 N\C(COC1=CC=CC=C1)=N/O SPB02646 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 JFD03490 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 HTS06398 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 CD06497 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 RH01533 [1,1,0,0,0,0|0,0,0]=2 36 B12R1.125 CC(=O)NCC1=CC=CC=C1Br NRB00715 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.226 NC(=O)NCC1=CC(Cl)=CC=C1 S12185 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 RDR03335 [0,1,0,0,1,0|1,0,0]=3 39 B12R1.225 O=C(O)C(O)C1=CC(Cl)=CC=C1 BTB14381 [0,1,0,0,1,0|1,0,0]=3 40 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 JFD02109 [0,1,0,0,1,0|1,0,0]=3 41 B12R1.478 C\C=C(/C(=O)O)C1=CC=CC=C1 BTBG00057 [0,1,0,0,1,0|1,0,1]=4 42 B12R1.478 C\C=C(\C(=O)O)C1=CC=CC=C1 NRB02306 [0,1,0,0,1,0|1,0,1]=4 43 B14R1.161 CC(NCC1=C(O)C=CC=C1)C(=O)O RH00576 [0,1,0,0,0,1|1,0,0]=3 44 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O S07576 [0,1,0,0,0,1|1,0,1]=4 45 B14R1.679 CC(CSC1=CC=C(Cl)C=C1)C(=O)O SEW01350 [0,1,0,0,0,1|1,0,0]=3 46 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 RDR02440 [0,2,0,0,0,0|2,0,0]=4 47 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 BTB06642 [0,2,0,0,0,0|0,0,0]=2 48 B14R1.7626 CC(C)(OC1=CC=C(Cl)C=C1)C(=O)O SB01597 [0,2,0,0,0,0|2,0,0]=4 49 B14R1.60 [C@H](N)(CC1=CC=CC=C1)C(=O)OCC SB01138 [0,2,0,0,0,0|0,0,0]=2 50 B14R1.4257 NC(CC1=CC(F)=CC(F)=C1)C(=O)O SPB08033 [0,2,0,0,0,0|0,0,0]=2 51 B14R1.4404 CC(N)(CC1=CC=CC(O)=C1)C(=O)O RJC01671 [0,2,0,0,0,0|0,0,0]=2 52 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 CC24101 [0,0,0,1,0,1|1,0,1]=4 53 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 JFD02927 [0,0,0,1,0,1|1,0,0]=3 54 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 SB01676 [0,0,0,1,0,1|1,0,0]=3 55 B14R2.781 O=C(O)C1CCC2=CC=CC=C2C1 BTB10042 [0,0,0,1,0,1|1,0,0]=3 56 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 RJC01246 [0,0,0,1,0,1|1,0,0]=3 57 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 CC01501 [0,0,0,1,0,1|1,0,0]=3 58 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 JFD03921 [0,1,0,1,0,0|0,0,2]=4 59 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 RH01182 [0,1,0,1,0,0|0,0,2]=4 60 B10R1.66 O=C(O)CCC1=CC=CS1 RJC01494 [1,0,0,0,1,0|1,0,0]=3 61 B12R1.252 NC(=O)NCCC1=CC=CC=C1 RJC03754 [1,0,0,0,0,1|1,0,0]=3 62 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SB02007 [1,0,0,0,0,1|0,0,0]=2 63 B12R1.252 O=C(O)CCOC1=CC=CC=C1 RJC00749 [1,0,0,0,0,1|0,0,0]=2 64 B12R1.252 O=C(O)CCSC1=CC=CC=C1 JFD00825 [1,0,0,0,0,1|0,0,0]=2 65 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CD04055 [1,0,0,0,0,1|0,0,0]=2 66 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 BTB15198 [0,0,0,0,0,2|1,0,1]=4 67 B14R1.818 CC(=O)NC(C)CCC1=CC=CC=C1 JFD03491 [0,0,0,0,0,2|2,0,0]=4 68 B14R1.6449 [C@H](N)(COCC1=CC=CC=C1)C(=O)O RJC01683 [0,0,0,0,0,2|0,0,0]=2