0 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C M10040845P [0,0,0,0,0,0|3,0,0]=3 1 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(N)=O M10415967P [0,0,0,0,0,0|2,0,2]=4 2 B12R1.43 O=C(NC1=CC=CC=C1)N(C)C M10002902P [0,0,0,0,0,0|4,0,0]=4 3 B12R1.43 O=C([O-])C(CC1=CC=CC=C1)=O M10262011P [0,0,0,0,0,0|2,0,1]=3 4 B11R1.40 C=CC(NC1=CC=CC=C1)=O M10041239P [1,0,0,0,0,0|2,0,1]=4 5 B11R1.40 C=CC(OC1=CC=CC=C1)=O M10023704P [1,0,0,0,0,0|2,0,1]=4 6 B11R1.40 CCC(CC1=CC=CC=C1)=O M10025082P [1,0,0,0,0,0|1,0,2]=4 7 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 M10192599P [1,0,0,0,0,0|2,0,1]=4 8 B11R1.91 O=C(O)COC1=CC=CC=C1 M10190227P [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 O=[N+](\C=C\C1=CC=CC=C1)[O-] M10263073P [1,0,0,0,0,0|2,0,0]=3 10 B13R1.133 O=C(O)C(CC1=CC=C(O)C=C1)=O M10005776P [0,1,0,0,0,0|2,0,1]=4 11 B13R1.202 CC(OC1=CC=CC=C1Cl)C(O)=O M10187966P [0,1,0,0,0,0|2,0,1]=4 12 B13R1.1073 O=C(O)[C@@](C)(N)CC1=CC=CC=C1 M10179012P [0,1,0,0,0,0|1,0,2]=4 13 B13R1.1073 O=C(O)[C@](C)(N)CC1=CC=CC=C1 M10148974P [0,1,0,0,0,0|1,0,2]=4 14 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl M10297775P [0,0,0,1,0,0|2,0,0]=3 15 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl M10217721P [0,0,0,1,0,0|3,0,0]=4 16 B13R2.369 NC1=NC2=CC=CC=C2C=C1Br M10231707P [0,0,0,1,0,0|3,0,0]=4 17 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O M10138641P [0,0,0,1,0,0|3,0,0]=4 18 B13R2.369 OC1=NC2=CC=CC=C2N=C1C M10128034P [0,0,0,1,0,0|2,0,1]=4 19 B13R2.435 CC(C1=NC2=CC=CC=C2N1)=O M10053736P [0,0,0,1,0,0|2,0,0]=3 20 B13R2.435 O=C(C1=CC2=CC=CN=C2S1)O M10310809P [0,0,0,1,0,0|3,0,0]=4 21 B13R2.435 O=C(C1=NC2=CC=CC=C2N1)O M10048286P [0,0,0,1,0,0|3,0,0]=4 22 B13R2.435 O=C(C1CC2=C(C=CC=C2)C1)O M10188186P [0,0,0,1,0,0|1,0,2]=4 23 B13R2.435 O=C([C@H]1NC2=C(C=CC=C2)C1)O M10628363P [0,0,0,1,0,0|2,0,1]=4 24 B11R1.36 CC(C)C(C1=CC=CC=C1)=O M10015939P [0,0,0,0,1,0|2,0,1]=4 25 B11R1.36 CC(F)C(C1=CC=CC=C1)=O M10168847P [0,0,0,0,1,0|2,0,1]=4 26 B11R1.36 O=C(N(C)C)C1=CC=CC=C1 M10015943P [0,0,0,0,1,0|3,0,0]=4 27 B13R1.351 CC(C(OCC1=CC=CC=C1)=O)=C M10044631P [0,0,0,0,0,1|2,0,1]=4 28 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O M10019213P [0,0,0,0,0,1|2,0,1]=4 29 B10R1.17 ClC\C=C\C1=CC=CC=C1 M10187067P [2,0,0,0,0,0|1,0,1]=4 30 B10R1.18 CC(CC1=NC=CC=C1)=O M10087968P [2,0,0,0,0,0|1,0,1]=4 31 B10R1.18 CC(OC1=CC=CC=C1)C M10047209P [2,0,0,0,0,0|1,0,1]=4 32 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10003981P [2,0,0,0,0,0|1,0,1]=4 33 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10119708P [2,0,0,0,0,0|1,0,1]=4 34 B12R1.21 O=C(O)\C=C\C1=CC=C(N)N=C1 M10796442P [1,1,0,0,0,0|2,0,0]=4 35 B12R1.27 CCC(OCC1=CC=CC=C1)=O M10004505P [1,1,0,0,0,0|1,0,1]=4 36 B12R1.27 O=C(CCC1=CC=CC=C1)CBr M10215691P [1,1,0,0,0,0|0,0,2]=4 37 B12R1.27 O=C(NCC1=CC=CC=C1)CCl M10045433P [1,1,0,0,0,0|1,0,1]=4 38 B12R1.27 O=C(OC)CNC1=CC=CC=C1 M10121939P [1,1,0,0,0,0|1,0,1]=4 39 B12R1.27 O=C(OC)COC1=CC=CC=C1 M10039630P [1,1,0,0,0,0|1,0,1]=4 40 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O M10002262P [1,1,0,0,0,0|1,0,1]=4 41 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br M10104081P [1,1,0,0,0,0|1,0,0]=3 42 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br M10107538P [1,1,0,0,0,0|1,0,0]=3 43 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 M10131340P [1,1,0,0,0,0|1,0,0]=3 44 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 M10195642P [1,1,0,0,0,0|1,0,0]=3 45 B12R1.253 CC(C1=CC=CC=C1)(N)C(O)=O M10014252P [0,1,0,0,1,0|1,0,1]=4 46 B12R1.478 O=C(Cl)C(C1=CC=CC=C1)CC M10231818P [0,1,0,0,1,0|1,0,1]=4 47 B14R1.337 CC(CC(NC1=CC=CC=C1Cl)=O)=O M10002244P [0,1,0,0,0,1|2,0,0]=4 48 B14R1.698 CC(CC(NC1=CC=C(C)C=C1)=O)=O M10043589P [0,1,0,0,0,1|2,0,0]=4 49 B14R1.698 CC(CC(NC1=CC=C(Cl)C=C1)=O)=O M10002943P [0,1,0,0,0,1|2,0,0]=4 50 B14R1.756 C[C@H](NCC1=CC=CC=C1)C(OC)=O M10161045P [0,1,0,0,0,1|0,0,2]=4 51 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O M10141381P [1,0,0,1,0,0|1,0,1]=4 52 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 M10005935P [1,0,0,1,0,0|1,0,1]=4 53 B12R2.24 CC1=CC2=C(C=NC=C2)C=C1 M10248668P [1,0,0,1,0,0|1,0,1]=4 54 B12R2.24 ClC1=CC=C2C=CC=CC2=C1 M10002070P [1,0,0,1,0,0|1,0,1]=4 55 B12R2.24 FC1=CC=C2C=CC=CC2=C1 M10008277P [1,0,0,1,0,0|1,0,1]=4 56 B12R2.24 NC1=CC=C2C=CC=CC2=C1 M10002071P [1,0,0,1,0,0|1,0,1]=4 57 B12R2.32 CCC1=CC2=CC=CC=C2O1 M10051433P [1,0,0,1,0,0|1,0,1]=4 58 B12R2.32 O=CC1=NC2=CC=CC=C2S1 M10094911P [1,0,0,1,0,0|2,0,0]=4 59 B12R2.32 O=CC=1NC2=C(C1)C=CC=C2 M10158452P [1,0,0,1,0,0|1,0,0]=3 60 B14R2.19 O=C1CN(CC2=CC=CC=C2)CC1 M10025236P [0,0,0,1,0,1|1,0,1]=4 61 B14R2.642 O=C(C1=C(C)NC2=C1C=CC=C2)O M10389875P [0,0,0,1,0,1|2,0,0]=4 62 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 M10357725P [0,0,0,1,0,1|2,0,0]=4 63 B14R2.768 O=C(O)CC=1NC2=C(C1)C=CC=C2 M10217671P [0,0,0,1,0,1|2,0,0]=4 64 B14R2.781 O=C(C1=CC2=C(C=N1)C=CC=C2)O M10830750P [0,0,0,1,0,1|1,0,1]=4 65 B14R2.4529 O=C(C1=CC2=CC(Br)=CC=C2O1)N M10227080P [0,1,0,1,0,0|2,0,0]=4 66 B14R2.4529 O=C(C1=CC2=CC(N)=CC=C2O1)O M10250055P [0,1,0,1,0,0|2,0,0]=4 67 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)C)O M10113325P [0,1,0,1,0,0|2,0,0]=4 68 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)O)O M10241468P [0,1,0,1,0,0|2,0,0]=4 69 B14R2.972 O=C(C1=NC2=CC=CC=C2N1)OC M10080602P [0,1,0,1,0,0|2,0,0]=4 70 B14R2.7969 CC(C1=CC2=CC=CC(O)=C2O1)=O M10241394P [0,1,0,1,0,0|1,0,0]=3 71 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)F)O M10010100P [0,1,0,1,0,0|2,0,0]=4 72 B14R2.7969 O=C(C=1NC2=C(C1)C=CC=C2F)O M10010099P [0,1,0,1,0,0|2,0,0]=4 73 B14R2.450 O=C(C1=C(C)C2=CC=CC=C2S1)O M10051454P [0,1,0,1,0,0|2,0,0]=4 74 B14R2.450 O=C(C=1NC2=C(C1Br)C=CC=C2)O M10203373P [0,1,0,1,0,0|2,0,0]=4 75 B14R2.450 O=C(C=1NC2=C(C1Cl)C=CC=C2)O M10203372P [0,1,0,1,0,0|2,0,0]=4 76 B10R1.15 CC(C1=CC=CC=C1)C=O M10002231P [1,0,0,0,1,0|0,0,1]=3 77 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 M10082047P [1,0,0,0,1,0|1,0,1]=4 78 B10R1.15 O=CC(Br)C1=CC=CC=C1 M10146045P [1,0,0,0,1,0|1,0,1]=4 79 B14R1.818 CC(CC(OCC1=CC=CC=C1)=O)=O M10072642P [0,0,0,0,0,2|1,0,1]=4 80 B14R1.818 O=C(C)CC(NCC1=CC=CC=C1)=O M12060215P [0,0,0,0,0,2|1,0,1]=4