0 B13R1.42 O=C(OCC)COC1=CC=CC=C1 M10045364P [0,0,0,0,0,0|1,0,0]=1 1 B13R1.42 O=C(OCC1=CC=CC=C1)NC=C M10498757P [0,0,0,0,0,0|2,0,2]=4 2 B12R1.27 C=CC(NCC1=CC=CC=C1)=O M10122590P [1,0,0,0,0,0|1,0,2]=4 3 B12R1.27 C=CC(OCC1=CC=CC=C1)=O M10044630P [1,0,0,0,0,0|1,0,2]=4 4 B12R1.27 CCC(OCC1=CC=CC=C1)=O M10004505P [1,0,0,0,0,0|1,0,0]=2 5 B12R1.27 O=C(CCC1=CC=CC=C1)CBr M10215691P [1,0,0,0,0,0|1,0,0]=2 6 B12R1.27 O=C(NCC1=CC=CC=C1)CCl M10045433P [1,0,0,0,0,0|2,0,0]=3 7 B12R1.27 O=C(OC)CNC1=CC=CC=C1 M10121939P [1,0,0,0,0,0|1,0,0]=2 8 B12R1.27 O=C(OC)COC1=CC=CC=C1 M10039630P [1,0,0,0,0,0|1,0,0]=2 9 B14R1.29 O=C(OCC)CC(C1=CC=NC=C1)=O M10193613P [0,1,0,0,0,0|1,0,1]=3 10 B14R1.29 O=C(OCC)CC(C1=NC=CC=C1)=O M10194204P [0,1,0,0,0,0|1,0,1]=3 11 B14R1.29 O=C(OCC)C[C@@H](N)C1=CC=CC=C1 M10862056P [0,1,0,0,0,0|0,0,0]=1 12 B14R1.29 O=C(OCC)C[C@H](N)C1=CC=CC=C1 M10796437P [0,1,0,0,0,0|0,0,0]=1 13 B14R1.29 O=C(OCC)C[C@H](O)C1=CC=CC=C1 M10220276P [0,1,0,0,0,0|0,0,0]=1 14 B14R1.156 O=C(OCC=C)\C=C\C1=CC=CC=C1 M10037303P [0,1,0,0,0,0|0,0,3]=4 15 B14R1.502 O=C(OCC)CCC1=CC=C(O)C=C1 M10181797P [0,1,0,0,0,0|0,0,0]=1 16 B14R1.502 O=C(OCC)\N=C\C1=CC=C(Cl)C=C1 M10940149P [0,1,0,0,0,0|1,0,1]=3 17 B14R1.818 CC(CC(OCC1=CC=CC=C1)=O)=O M10072642P [0,1,0,0,0,0|2,0,1]=4 18 B14R1.818 O=C(C)CC(NCC1=CC=CC=C1)=O M12060215P [0,1,0,0,0,0|2,0,1]=4 19 B14R1.818 O=C(OC(C)C)\C=C\C1=CC=CC=C1 M10110590P [0,1,0,0,0,0|0,0,2]=3 20 B14R2.21 O=C1C=C(C2=CC=CC=C2)CCC1 M10114322P [0,0,0,1,0,0|1,0,2]=4 21 B14R2.21 O=C1CC(C2=CC=CC=C2)CCC1 M10167473P [0,0,0,1,0,0|1,0,0]=2 22 B14R2.21 O=C1NC(C2=CC=CC=C2)CCC1 M10245848P [0,0,0,1,0,0|2,0,0]=3 23 B14R2.598 O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1 M10141652P [0,0,0,1,0,0|2,0,0]=3 24 B12R1.32 O=C(OCC)CC1=NC=CC=C1 M10047179P [0,0,0,0,1,0|1,0,0]=2 25 B12R1.32 O=C(OCC)CC1=NC=NC=C1 M11120451P [0,0,0,0,1,0|2,0,0]=3 26 B12R1.51 CCCC(OCC1=CC=CO1)=O M10016631P [0,0,0,0,1,0|3,0,0]=4 27 B14R1.520 O=C(OCC)CNCC1=CC=CC=C1 M10090848P [0,0,0,0,0,1|0,0,0]=1 28 B11R1.28 CCCCNC1=CC=CC=C1 M10027499P [2,0,0,0,0,0|1,0,1]=4 29 B11R1.91 CN(C)CCC1=CC=CC=C1 M10113667P [2,0,0,0,0,0|2,0,0]=4 30 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 M10192599P [2,0,0,0,0,0|2,0,0]=4 31 B11R1.91 O=C(O)CCC1=NC=CC=C1 M10135517P [2,0,0,0,0,0|1,0,0]=3 32 B11R1.91 O=C(O)COC1=CC=CC=C1 M10190227P [2,0,0,0,0,0|1,0,0]=3 33 B11R1.91 O=[N+](CCC1=CC=CC=C1)[O-] M10084031P [2,0,0,0,0,0|1,0,1]=4 34 B13R1.351 CC(C(OCC1=CC=CC=C1)=O)=C M10044631P [1,1,0,0,0,0|1,0,1]=4 35 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O M10019213P [1,1,0,0,0,0|1,0,1]=4 36 B13R1.19 O=C(OCC)CC1=CC=C(Cl)C=C1 M10128477P [0,1,0,0,1,0|0,0,0]=2 37 B13R1.20 O=C(OCC)CC1=CC=CC(Cl)=C1 M10128481P [0,1,0,0,1,0|0,0,0]=2 38 B13R1.47 O=C(OCC)C(Br)C1=CC=CC=C1 M10048625P [0,1,0,0,1,0|0,0,0]=2 39 B13R1.470 O=C(OCC)CC1=CC=CC=C1Cl M10241509P [0,1,0,0,1,0|0,0,0]=2 40 B13R1.470 O=C(OCC)CC1=CN=CN=C1Cl M10085037P [0,1,0,0,1,0|2,0,0]=4 41 B13R1.470 O=C(OCC)CC1=CN=CN=C1O M10085036P [0,1,0,0,1,0|2,0,0]=4 42 B13R1.33 O=C(OCC)CC(C1=CC=CS1)=O M10125612P [0,1,0,0,1,0|1,0,1]=4 43 B15R1.11 O=C(OCC)CCCC1=CC=C(Br)C=C1 M10661313P [0,1,0,0,0,1|0,0,0]=2 44 B15R1.89 O=C(OCC)CNC(C1=CC=CC=C1)=O M10031765P [0,1,0,0,0,1|0,0,1]=3 45 B15R1.24 O=C(OCC)CC(C1=CC=CC(F)=C1)=O M10219481P [0,2,0,0,0,0|0,0,1]=3 46 B15R1.578 O=C(OCC)[C@H](O)[C@@H](N)C1=CC=CC=C1 M10763207P [0,2,0,0,0,0|0,0,0]=2 47 B15R1.10390 O=C(OCC)\C=C\C1=CC=C(O)C(O)=C1 M10420951P [0,2,0,0,0,0|0,0,2]=4 48 B15R1.48 CC(OC1=CC=C(O)C=C1)C(OCC)=O M10412024P [0,2,0,0,0,0|1,0,0]=3 49 B15R1.48 C[C@@H](OC1=CC=C(O)C=C1)C(OCC)=O M10442330P [0,2,0,0,0,0|1,0,0]=3 50 B15R1.48 O=C(OCC)C(NC1=CC=C(F)C=C1)=O M10432805P [0,2,0,0,0,0|1,0,1]=4 51 B15R1.5919 O=C(OCC(C)C)\C=C\C1=CC=CC=C1 M10004508P [0,2,0,0,0,0|0,0,2]=4 52 B15R1.793 O=C(OCC)CNC1=CC=C(C#N)C=C1 M10837720P [0,2,0,0,0,0|1,0,0]=3 53 B15R1.3465 O=C(OC(C)(C)C)NCC1=CC=NC=C1 M10676940P [0,2,0,0,0,0|2,0,0]=4 54 B13R2.1613 CCN1CCCC2=C1C=CC=C2 M10145018P [1,0,0,1,0,0|1,0,1]=4 55 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O M10734473P [1,0,0,1,0,0|2,0,0]=4 56 B15R2.73 O=C(C1=CNC2=C1C=CC=C2)OCC M10020574P [0,0,0,1,0,1|0,0,2]=4 57 B15R2.38 O=C1N(CC2=CC=CC=C2)CCNC1 M10309116P [0,1,0,1,0,0|2,0,0]=4 58 B15R2.1356 O=C(C1=NC2=CC=CC=C2S1)OCC M10216170P [0,1,0,1,0,0|1,0,1]=4 59 B11R1.25 O=C(OC)CCC1=CN=CN1 M10213875P [1,0,0,0,1,0|2,0,0]=4 60 B11R1.40 CCC(CC1=CC=CC=C1)=O M10025082P [1,0,0,0,1,0|0,0,0]=2 61 B11R1.40 NCC(NC1=CC=CC=C1)=O M10092528P [1,0,0,0,1,0|2,0,0]=4 62 B11R1.40 O=C(OC1=CC=CC=C1)CBr M10016467P [1,0,0,0,1,0|2,0,0]=4 63 B11R1.16 C\C=C\C(C1=CC=CC=C1)=O M11192493P [0,0,0,0,2,0|1,0,1]=4 64 B11R1.16 N=C(OCC)C1=CC=CC=C1 M10071237P [0,0,0,0,2,0|1,0,0]=3 65 B11R1.16 O=C(C1=CC=CC=C1)CCF M10011121P [0,0,0,0,2,0|2,0,0]=4 66 B11R1.16 O=C(C1=NC=CN=C1)OCC M10097264P [0,0,0,0,2,0|2,0,0]=4 67 B11R1.16 O=C(C1=NN=CC=C1)OCC M10027463P [0,0,0,0,2,0|2,0,0]=4 68 B11R1.16 O=C(OCCl)C1=CC=CC=C1 M10071312P [0,0,0,0,2,0|1,0,0]=3 69 B11R1.30 O=C(OCC)CN1C=CN=C1 M10149677P [0,0,0,0,2,0|2,0,0]=4 70 B15R1.778 O=C(OCC)CCNCC1=CC=CC=C1 M10180745P [0,0,0,0,0,2|0,0,0]=2