0 B12R1.27 C=CC(NCC1=CC=CC=C1)=O M10122590P [0,0,0,0,0,0|1,0,2]=3 1 B12R1.27 C=CC(OCC1=CC=CC=C1)=O M10044630P [0,0,0,0,0,0|0,0,2]=2 2 B12R1.27 CCC(OCC1=CC=CC=C1)=O M10004505P [0,0,0,0,0,0|0,0,0]=0 3 B12R1.27 O=C(CCC1=CC=CC=C1)CBr M10215691P [0,0,0,0,0,0|2,0,0]=2 4 B12R1.27 O=C(NCC1=CC=CC=C1)CCl M10045433P [0,0,0,0,0,0|2,0,0]=2 5 B12R1.27 O=C(OC)CNC1=CC=CC=C1 M10121939P [0,0,0,0,0,0|3,0,0]=3 6 B12R1.27 O=C(OC)COC1=CC=CC=C1 M10039630P [0,0,0,0,0,0|3,0,0]=3 7 B11R1.28 CCCCNC1=CC=CC=C1 M10027499P [1,0,0,0,0,0|2,0,1]=4 8 B11R1.28 ClCCOCC1=CC=CC=C1 M10148097P [1,0,0,0,0,0|1,0,1]=3 9 B11R1.28 NCCNCC1=CC=CC=C1 M10060507P [1,0,0,0,0,0|2,0,1]=4 10 B11R1.28 OCCOCC1=CC=CC=C1 M10016555P [1,0,0,0,0,0|1,0,1]=3 11 B11R1.91 CN(C)CCC1=CC=CC=C1 M10113667P [1,0,0,0,0,0|3,0,0]=4 12 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 M10192599P [1,0,0,0,0,0|1,0,0]=2 13 B11R1.91 O=C(O)CCC1=NC=CC=C1 M10135517P [1,0,0,0,0,0|3,0,0]=4 14 B11R1.91 O=C(O)COC1=CC=CC=C1 M10190227P [1,0,0,0,0,0|3,0,0]=4 15 B11R1.91 O=[N+](CCC1=CC=CC=C1)[O-] M10084031P [1,0,0,0,0,0|3,0,0]=4 16 B11R1.91 S\C(N)=N\CC1=CC=CC=C1 M10013542P [1,0,0,0,0,0|2,1,0]=4 17 B13R1.42 O=C(OCC)COC1=CC=CC=C1 M10045364P [0,1,0,0,0,0|2,0,0]=3 18 B13R1.42 O=C(OCC1=CC=CC=C1)NC=C M10498757P [0,1,0,0,0,0|0,0,2]=3 19 B13R1.351 CC(C(OCC1=CC=CC=C1)=O)=C M10044631P [0,1,0,0,0,0|0,0,1]=2 20 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O M10019213P [0,1,0,0,0,0|2,0,1]=4 21 B13R1.417 OCC(OCC1=CC=CC=C1)CO M10132769P [0,1,0,0,0,0|1,0,2]=4 22 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O M10734473P [0,0,0,1,0,0|2,0,0]=3 23 B11R1.40 C=CC(NC1=CC=CC=C1)=O M10041239P [0,0,0,0,1,0|1,0,2]=4 24 B11R1.40 C=CC(OC1=CC=CC=C1)=O M10023704P [0,0,0,0,1,0|0,0,2]=3 25 B11R1.40 CCC(CC1=CC=CC=C1)=O M10025082P [0,0,0,0,1,0|0,0,0]=1 26 B11R1.40 NCC(NC1=CC=CC=C1)=O M10092528P [0,0,0,0,1,0|2,0,0]=3 27 B11R1.40 O=C(OC1=CC=CC=C1)CBr M10016467P [0,0,0,0,1,0|1,0,0]=2 28 B13R1.718 CC(CBr)COCC1=CC=CC=C1 M12277792P [0,0,0,0,0,1|2,0,1]=4 29 B13R1.718 O=C(OC)C\N=C\C1=CC=CC=C1 M10420934P [0,0,0,0,0,1|2,0,1]=4 30 B13R1.718 OCC(O)COCC1=CC=CC=C1 M10192332P [0,0,0,0,0,1|1,0,2]=4 31 B10R1.17 C=CCCC1=CC=CC=C1 M10020323P [2,0,0,0,0,0|1,0,1]=4 32 B10R1.17 CCNCC1=CC=NC=C1 M10220282P [2,0,0,0,0,0|2,0,0]=4 33 B10R1.17 CNCCC1=CC=CC=C1 M10060073P [2,0,0,0,0,0|1,0,1]=4 34 B10R1.17 ClC\C=C\C1=CC=CC=C1 M10187067P [2,0,0,0,0,0|1,0,1]=4 35 B12R1.8 NCCCNCC1=CC=CC=C1 M10127387P [1,1,0,0,0,0|1,0,1]=4 36 B12R1.30 O=C(OCCC)C1=CC=CC=C1 M10042476P [1,1,0,0,0,0|0,0,2]=4 37 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 M10034129P [1,1,0,0,0,0|2,0,0]=4 38 B12R1.21 O=C(O)CCC1=CC=C(N)C=C1 M10043302P [1,1,0,0,0,0|2,0,0]=4 39 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(N)=O M10415967P [1,1,0,0,0,0|2,0,0]=4 40 B12R1.43 O=C([O-])C(CC1=CC=CC=C1)=O M10262011P [1,1,0,0,0,0|2,0,0]=4 41 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O M10002262P [1,1,0,0,0,0|0,0,0]=2 42 B12R1.125 O=C(Cl)OCC1=CC=CC=C1Cl M10239810P [1,1,0,0,0,0|1,0,0]=3 43 B12R1.51 CCCC(OCC1=CC=CO1)=O M10016631P [0,1,0,0,1,0|1,0,0]=3 44 B12R1.34 O=C(OC)C(Br)C1=CC=CC=C1 M10050484P [0,1,0,0,1,0|1,0,0]=3 45 B12R1.34 O=C(OC)C(O)C1=CC=CC=C1 M10062314P [0,1,0,0,1,0|1,0,0]=3 46 B12R1.49 C=CC(OC1=CC=C(Br)C=C1)=O M10255283P [0,1,0,0,1,0|0,0,2]=4 47 B12R1.49 O=C(OC)CC1=CC=C(Br)C=C1 M10247030P [0,1,0,0,1,0|1,0,0]=3 48 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 M10265259P [0,1,0,0,1,0|1,0,0]=3 49 B12R1.50 O=C(OC)CC1=CC=CC(Cl)=C1 M10268727P [0,1,0,0,1,0|1,0,0]=3 50 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 M10267790P [0,1,0,0,1,0|1,0,0]=3 51 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 M10775534P [0,1,0,0,1,0|1,0,0]=3 52 B12R1.50 O=C(OC1=CC=CC(C)=C1)NC M10027599P [0,1,0,0,1,0|1,0,0]=3 53 B12R1.118 CCN(CC1=CC=CC=C1)CC M10020469P [0,1,0,0,1,0|2,0,0]=4 54 B12R1.371 O=C(OC)CC1=CC=CC=C1Br M10295408P [0,1,0,0,1,0|1,0,0]=3 55 B12R1.371 O=C(OC)CC1=CC=CC=C1Cl M10295407P [0,1,0,0,1,0|1,0,0]=3 56 B14R1.13 O=C(OC)CCCC1=CC=C(N)C=C1 M10166747P [0,1,0,0,0,1|2,0,0]=4 57 B14R1.520 O=C(OCC)CNCC1=CC=CC=C1 M10090848P [0,1,0,0,0,1|1,0,0]=3 58 B14R1.756 C[C@H](NCC1=CC=CC=C1)C(OC)=O M10161045P [0,1,0,0,0,1|2,0,0]=4 59 B14R1.29 O=C(OCC)C[C@@H](N)C1=CC=CC=C1 M10862056P [0,2,0,0,0,0|1,0,0]=3 60 B14R1.29 O=C(OCC)C[C@H](N)C1=CC=CC=C1 M10796437P [0,2,0,0,0,0|1,0,0]=3 61 B14R1.29 O=C(OCC)C[C@H](O)C1=CC=CC=C1 M10220276P [0,2,0,0,0,0|1,0,0]=3 62 B14R1.85 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(OC)=O M10734176P [0,2,0,0,0,0|2,0,0]=4 63 B14R1.502 O=C(OCC)CCC1=CC=C(O)C=C1 M10181797P [0,2,0,0,0,0|1,0,0]=3 64 B14R1.502 O=C(OCC)\N=C\C1=CC=C(Cl)C=C1 M10940149P [0,2,0,0,0,0|1,0,1]=4 65 B14R1.818 CC(CC(OCC1=CC=CC=C1)=O)=O M10072642P [0,2,0,0,0,0|0,0,0]=2 66 B14R1.818 O=C(C)CC(NCC1=CC=CC=C1)=O M12060215P [0,2,0,0,0,0|1,0,0]=3 67 B14R1.818 O=C(OC(C)C)\C=C\C1=CC=CC=C1 M10110590P [0,2,0,0,0,0|1,0,1]=4 68 B12R2.41 C12=CC=CC=C1CCCNC2 M10102516P [1,0,0,1,0,0|1,0,1]=4 69 B12R2.41 C12=CC=CC=C1CCCNC2 M10151219P [1,0,0,1,0,0|1,0,1]=4 70 B12R2.41 C12=CC=CC=C1CCNCC2 M10063070P [1,0,0,1,0,0|2,0,0]=4 71 B12R2.1081 CC1NCCC2=C1C=CC=C2 M10678709P [1,0,0,1,0,0|2,0,0]=4 72 B12R2.1081 CC1NCCC2=C1C=CC=C2 M11192517P [1,0,0,1,0,0|2,0,0]=4 73 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M12277889P [1,0,0,1,0,0|2,0,0]=4 74 B12R2.1081 C[C@H]1NCCC2=C1C=CC=C2 M12277888P [1,0,0,1,0,0|2,0,0]=4 75 B12R2.24 O=C1OCC2=C(C=CC=C2)C1 M10062650P [1,0,0,1,0,0|0,0,0]=2 76 B12R2.3190 O=C(C1C2=CC=CC=C2C1)O M10130765P [1,0,0,1,0,0|2,0,0]=4 77 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O M10141381P [0,0,0,1,1,0|1,0,1]=4 78 B12R2.32 CCC1=CC2=CC=CC=C2O1 M10051433P [0,0,0,1,1,0|1,0,0]=3 79 B12R2.32 CCC1=NC2=CC=CC=C2N1 M10037067P [0,0,0,1,1,0|2,0,0]=4 80 B14R2.19 O=C1CN(CC2=CC=CC=C2)CC1 M10025236P [0,0,0,1,0,1|1,0,0]=3 81 B14R2.21 O=C1C=C(C2=CC=CC=C2)CCC1 M10114322P [0,1,0,1,0,0|1,0,1]=4 82 B14R2.21 O=C1CC(C2=CC=CC=C2)CCC1 M10167473P [0,1,0,1,0,0|1,0,0]=3 83 B14R2.21 O=C1NC(C2=CC=CC=C2)CCC1 M10245848P [0,1,0,1,0,0|1,0,0]=3 84 B14R2.20 O=C1NCC(C2=CC=C(Cl)C=C2)C1 M10175543P [0,1,0,1,0,0|2,0,0]=4 85 B14R2.598 O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1 M10141652P [0,1,0,1,0,0|0,0,0]=2 86 B10R1.18 CC(CC1=NC=CC=C1)=O M10087968P [1,0,0,0,1,0|1,0,0]=3 87 B10R1.18 CC(O)CC1=CC=CC=C1 M10018807P [1,0,0,0,1,0|0,0,2]=4 88 B10R1.18 CC(O)CC1=CC=CC=C1 M10133834P [1,0,0,0,1,0|0,0,2]=4 89 B10R1.18 CC(OC1=CC=CC=C1)C M10047209P [1,0,0,0,1,0|1,0,1]=4 90 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 M10032962P [1,0,0,0,1,0|0,0,2]=4 91 B10R1.18 C[C@H](O)CC1=CC=CC=C1 M10032105P [1,0,0,0,1,0|0,0,2]=4 92 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10003981P [1,0,0,0,1,0|1,0,0]=3 93 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10119708P [1,0,0,0,1,0|1,0,0]=3 94 B10R1.18 S=C(Cl)OC1=CC=CC=C1 M10025007P [1,0,0,0,1,0|1,1,0]=4 95 B10R1.15 BrCC(C1=CC=CN=C1)=O M10151041P [0,0,0,0,2,0|2,0,0]=4 96 B10R1.15 BrCC(C1=NC=CC=C1)=O M10150216P [0,0,0,0,2,0|2,0,0]=4 97 B10R1.15 ClCC(C1=CC=CN=C1)=O M10350662P [0,0,0,0,2,0|2,0,0]=4 98 B10R1.15 ClCC(C1=CC=CN=C1)=O M12276696P [0,0,0,0,2,0|2,0,0]=4 99 B10R1.15 NC(CC)C1=CC=CC=C1 M10388570P [0,0,0,0,2,0|1,0,1]=4 100 B10R1.15 NCC(C1=CC=CC=C1)=O M10016076P [0,0,0,0,2,0|1,0,0]=3