0 B17R2.3417 CC1=C(C(=O)Nc2ccccc2)SCCO1 Amb625166 [0,0,0,0,0,0|0,0,0]=0 1 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 Amb1196301 [0,0,0,0,0,0|2,0,2]=4 2 B16R2.71 O=C1CCCC\C1=C\Nc2ccccc2 Amb2386732 [1,0,0,0,0,0|3,0,0]=4 3 B16R2.88 O=C(Cc1ccccc1)C2=COCCC2 Amb27601298 [1,0,0,0,0,0|2,0,0]=3 4 B18R2.9218 CC1=C(C(=O)Nc2ccc(Cl)cc2)SCCO1 Amb20282442 [0,1,0,0,0,0|0,0,0]=1 5 B16R1.945 CCOC(=O)C(C)C(=O)Nc1ccccc1 Amb32415242 [0,0,1,0,0,0|2,0,1]=4 6 B18R3.111 O=C1C2=C(CCCC2)NN1c3ccccc3 Amb19805071 [0,0,0,1,0,0|3,0,0]=4 7 B16R2.3005 CC1OCCC1C(=O)Cc2ccccc2 Amb27643064 [0,0,0,0,1,0|1,0,2]=4 8 B16R2.3005 Cc1ccsc1C(=O)Cc2ccccc2 Amb19293812 [0,0,0,0,1,0|1,0,2]=4 9 B16R2.3005 Cc1nnsc1C(=O)Cc2ccccc2 Amb28342008 [0,0,0,0,1,0|3,0,0]=4 10 B16R2.3005 Cc1occc1C(=O)Cc2ccccc2 Amb19047948 [0,0,0,0,1,0|1,0,2]=4 11 B16R2.3005 Cc1oncc1C(=S)Nc2ccccc2 Amb4224326 [0,0,0,0,1,0|1,1,1]=4 12 B16R2.3005 O=C(Nc1ccccc1)c2ccoc2Cl Amb27825610 [0,0,0,0,1,0|1,0,2]=4 13 B16R2.3005 O=C(Nc1ccccc1)c2sccc2Br Amb6382454 [0,0,0,0,1,0|1,0,2]=4 14 B16R2.3005 O=C(Nc1ccccc1)c2sccc2I Amb27490444 [0,0,0,0,1,0|1,0,2]=4 15 B16R2.3005 O=C1CCCC1C(=O)Nc2ccccc2 Amb4036855 [0,0,0,0,1,0|2,0,1]=4 16 B16R2.3896 CC1OCCNC1C(=O)c2ccccc2 Amb28045093 [0,0,0,0,1,0|1,0,2]=4 17 B18R2.4001 CC1=C(C(=O)NCc2ccccc2)SCCO1 Amb10073885 [0,0,0,0,0,1|0,0,0]=1 18 B15R1.83 COCCCNC(=O)Nc1ccccc1 Amb8549956 [1,0,1,0,0,0|2,0,0]=4 19 B15R1.83 COCCNCC(=O)Nc1ccccc1 Amb6707146 [1,0,1,0,0,0|1,0,1]=4 20 B15R1.83 COCCSCC(=O)Cc1ccccc1 Amb9668225 [1,0,1,0,0,0|1,0,1]=4 21 B15R1.551 CC(SCCN)C(=O)Nc1ccccc1 Amb7769866 [1,0,1,0,0,0|1,0,1]=4 22 B15R1.551 O=C(NCCO)C(=O)Nc1ccccc1 Amb1813199 [1,0,1,0,0,0|2,0,0]=4 23 B15R1.809 CCOC(=O)CC(=O)Nc1ccccc1 Amb2051237 [1,0,1,0,0,0|1,0,1]=4 24 B15R1.809 CCOC(=O)\C=C(/C)Nc1ccccc1 Amb4020002 [1,0,1,0,0,0|2,0,0]=4 25 B15R1.809 CCOC(=O)\C=C(\C)Nc1ccccc1 Amb8503618 [1,0,1,0,0,0|2,0,0]=4 26 B15R1.1289 CCN(CCO)C(=O)Nc1ccccc1 Amb3939505 [1,0,1,0,0,0|1,0,1]=4 27 B15R2.2195 C1=C(CNc2ccccc2)OCCO1 Amb29866244 [2,0,0,0,0,0|0,1,1]=4 28 B17R2.484 C\C(Nc1ccc(Cl)cc1)=C2\CCOC2=O Amb2612927 [0,1,0,0,1,0|2,0,0]=4 29 B17R2.484 C\C(Nc1ccc(N)cc1)=C2\CCOC2=O Amb2610238 [0,1,0,0,1,0|2,0,0]=4 30 B17R2.484 Cc1ccsc1C(=O)Nc2ccc(O)cc2 Amb6738491 [0,1,0,0,1,0|0,0,2]=4 31 B17R2.484 Cc1oncc1C(=O)Nc2ccc(N)cc2 Amb10609627 [0,1,0,0,1,0|1,0,1]=4 32 B17R2.484 Cc1oncc1C(=O)Nc2ccc(N)cc2 Amb1112260 [0,1,0,0,1,0|1,0,1]=4 33 B17R2.3343 Cc1nc(C)c(C(=O)Nc2ccccc2)s1 Amb1563847 [0,1,0,0,1,0|1,0,1]=4 34 B17R2.3343 Cc1nc(N)sc1C(=O)Nc2ccccc2 Amb1211512 [0,1,0,0,1,0|1,0,1]=4 35 B17R2.8669 Cc1coc(C)c1C(=O)Nc2ccccc2 Amb2774426 [0,1,0,0,1,0|0,0,2]=4 36 B17R2.41874 Cc1ccsc1C(=O)Nc2cccc(Br)c2 Amb6532712 [0,1,0,0,1,0|0,0,2]=4 37 B17R2.41874 Cc1occc1C(=O)Nc2cccc(O)c2 Amb2221825 [0,1,0,0,1,0|0,0,2]=4 38 B17R2.41874 Cc1oncc1C(=O)Nc2cccc(N)c2 Amb10609626 [0,1,0,0,1,0|1,0,1]=4 39 B17R2.41874 Cc1oncc1C(=O)Nc2cccc(N)c2 Amb1120482 [0,1,0,0,1,0|1,0,1]=4 40 B19R2.101153 CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1 Amb2774271 [0,2,0,0,0,0|0,0,1]=3 41 B17R2.50008 CCOC(=O)C1=C(C)Nc2ccccc2S1 Amb6340911 [0,0,1,1,0,0|2,0,0]=4 42 B17R2.50008 CCOC(=O)C1=Cc2ccccc2NC1=O Amb20027958 [0,0,1,1,0,0|2,0,0]=4 43 B17R2.50008 CCOC(=O)C1=Nc2ccccc2NC1=O Amb19667291 [0,0,1,1,0,0|2,0,0]=4 44 B17R2.50008 CCOC(=O)C1Sc2ccccc2NC1=O Amb2445297 [0,0,1,1,0,0|1,0,1]=4 45 B17R2.135589 CNC1=C(C)N(C)N(c2ccccc2)C1=O Amb18967613 [0,0,1,1,0,0|2,0,0]=4 46 B17R2.8524 CCCC1=C(C)Sc2ccccc2NC1=O Amb24119491 [0,0,1,1,0,0|1,1,0]=4 47 B17R3.54615 O=C1Nc2ccccc2C3=C1CCCC3 Amb19654320 [1,0,0,1,0,0|2,0,0]=4 48 B15R1.1047 CCC(SCCO)C(=O)c1ccccc1 Amb9668399 [0,0,1,0,1,0|0,0,2]=4 49 B15R2.38 O=C1OCCN=C1Nc2ccccc2 Amb27876401 [1,0,0,0,1,0|2,0,0]=4 50 B15R2.55 O=C1CCC\C1=C/Nc2ccccc2 Amb4553137 [1,0,0,0,1,0|2,0,0]=4 51 B15R2.55 O=C1OCC\C1=C/Nc2ccccn2 Amb27391180 [1,0,0,0,1,0|2,0,0]=4 52 B15R2.64 O=C(Cc1ccccc1)C2=CCCC2 Amb19075780 [1,0,0,0,1,0|2,0,0]=4 53 B15R2.64 O=C(Cc1ccccc1)C2=COCC2 Amb27170159 [1,0,0,0,1,0|1,0,0]=3 54 B15R2.64 O=C(Nc1ccccc1)C2=CC=CC2 Amb27765490 [1,0,0,0,1,0|1,0,1]=4 55 B15R2.64 O=C(Nc1ccccc1)C2=CCCO2 Amb28408891 [1,0,0,0,1,0|0,1,0]=3 56 B15R2.64 O=C(Nc1ccccc1)C2=CCSC2 Amb28072986 [1,0,0,0,1,0|2,0,0]=4 57 B15R2.64 O=C(Nc1ccccc1)C2=COCC2 Amb22487263 [1,0,0,0,1,0|0,0,0]=2 58 B15R2.64 O=C(Nc1ccccc1)C2=NCCN2 Amb22901946 [1,0,0,0,1,0|2,0,0]=4 59 B15R2.64 O=C(Nc1ccccc1)C2CCCO2 Amb6535805 [1,0,0,0,1,0|1,0,1]=4 60 B15R2.64 O=C(Nc1ccccc1)C2CCCS2 Amb27458287 [1,0,0,0,1,0|0,0,2]=4 61 B15R2.64 O=C(Nc1ccccc1)N2CCCO2 Amb26006965 [1,0,0,0,1,0|2,0,0]=4 62 B15R2.64 O=C(Nc1ccccc1)[C@@H]2CCCO2 Amb27247113 [1,0,0,0,1,0|1,0,1]=4 63 B15R2.64 O=C(Nc1ncccn1)C2=COCC2 Amb27224741 [1,0,0,0,1,0|2,0,0]=4 64 B15R2.64 S=C(Nc1ccccc1)C2=CCCC2 Amb27469794 [1,0,0,0,1,0|1,1,0]=4 65 B15R2.2226 O=C(C1=CCCCC1)c2ccccc2 Amb19075776 [1,0,0,0,1,0|2,0,0]=4 66 B15R2.2226 O=C(C1=CCCCO1)c2ccccc2 Amb28192412 [1,0,0,0,1,0|1,1,0]=4 67 B15R2.2226 O=C(C1=CNCCC1)c2ccccc2 Amb2371800 [1,0,0,0,1,0|2,0,0]=4 68 B15R2.2226 O=C(C1=CNCCS1)c2ccccc2 Amb27789578 [1,0,0,0,1,0|1,0,0]=3 69 B15R2.2226 O=C(C1=COCCC1)c2ccccc2 Amb27182823 [1,0,0,0,1,0|1,0,0]=3 70 B15R2.395 Cc1ccsc1C(=O)c2ccccc2 Amb9322477 [0,0,0,0,2,0|0,0,2]=4 71 B15R2.395 Cc1nnsc1C(=O)c2ccccc2 Amb28410297 [0,0,0,0,2,0|2,0,0]=4 72 B15R2.395 Cc1oncc1C(=O)c2ccccc2 Amb18563434 [0,0,0,0,2,0|1,0,1]=4 73 B15R2.1122 CC1CCC1C(=O)Nc2ccccc2 Amb27439068 [0,0,0,0,2,0|0,0,2]=4 74 B15R2.1122 CC1CCN1C(=O)Nc2ccccc2 Amb24678783 [0,0,0,0,2,0|1,0,1]=4 75 B15R2.1122 O=C1CCN1C(=O)Nc2ccccc2 Amb28204045 [0,0,0,0,2,0|2,0,0]=4 76 B17R2.3956 O=C1OCCC\C1=C/NCc2ccccc2 Amb27201645 [1,0,0,0,0,1|2,0,0]=4 77 B17R2.3530 CC1=CCCC1C(=O)NCc2ccccc2 Amb27488168 [0,0,0,0,1,1|1,0,1]=4 78 B17R2.3530 Cc1ccsc1C(=O)NCc2ccccc2 Amb232347 [0,0,0,0,1,1|0,0,2]=4 79 B17R2.3530 Cc1ncsc1C(=O)NCc2ccccc2 Amb10651495 [0,0,0,0,1,1|1,0,1]=4 80 B17R2.3530 Cc1occc1C(=O)NCc2ccccc2 Amb6317657 [0,0,0,0,1,1|0,0,2]=4 81 B17R2.3530 Cc1ocnc1C(=O)NCc2ccccc2 Amb19450213 [0,0,0,0,1,1|1,0,1]=4 82 B17R2.3530 Cc1oncc1C(=O)NCc2ccccc2 Amb27646228 [0,0,0,0,1,1|1,0,1]=4 83 B17R2.3530 O=C1CCC=C1C(=O)NCc2ccccc2 Amb28363851 [0,0,0,0,1,1|2,0,0]=4