0 B17R2.146458 Cc1cc(cc(C)c1)OCc2[n][n]c(N)o2 Amb23492497 [0,0,0,0,0,0|2,0,2]=4 1 B17R2.146458 Cc1nnc(o1)COc2cc(C)cc(c2)C Amb17034216 [0,0,0,0,0,0|2,0,2]=4 2 B17R2.146458 Nc1[nH]nc(c1)COc2cc(C)cc(c2)C Amb17242716 [0,0,0,0,0,0|3,0,1]=4 3 B16R2.258 Cc1cc(ccc1)OCC2=NNC(=S)O2 Amb20032718 [1,0,0,0,0,0|1,1,1]=4 4 B16R2.258 Cc1cccc(c1)OCc2n[nH]c(=S)o2 Amb1544204 [1,0,0,0,0,0|1,1,1]=4 5 B16R2.258 O=C1CCC(COc2cccc(Br)c2)N1 Amb24444203 [1,0,0,0,0,0|3,0,0]=4 6 B16R2.258 O=C1CCC(COc2cccc(I)c2)N1 Amb25764852 [1,0,0,0,0,0|3,0,0]=4 7 B16R2.258 O=C1NCC(COc2cc(Br)c[n]c2)O1 Amb25792762 [1,0,0,0,0,0|2,0,0]=3 8 B16R2.258 O=C1NCC(COc2cc(I)ccc2)O1 Amb24508227 [1,0,0,0,0,0|1,0,0]=2 9 B16R2.258 O=C1NN=C(COc2cccc(F)c2)O1 Amb24122818 [1,0,0,0,0,0|2,0,1]=4 10 B16R2.11351 Cc1cc(OCC2OCCO2)cc(c1)C Amb17239804 [1,0,0,0,0,0|2,0,1]=4 11 B16R2.11351 Cc1cc(OC[C@@H]2CCCN2)cc(c1)C Amb17051829 [1,0,0,0,0,0|2,0,1]=4 12 B16R2.11351 Cc1cc(cc(C)c1)OCC2CCCO2 Amb22266273 [1,0,0,0,0,0|1,0,1]=3 13 B16R2.11351 Cc1cc(cc(C)c1)OCC2CNCC2 Amb21956944 [1,0,0,0,0,0|1,0,1]=3 14 B18R2.264550 O=C1OC(COc2cc(Cl)c(Cl)c(Cl)c2)CO1 Amb22454487 [0,1,0,0,0,0|3,0,0]=4 15 B16R1.4381 BrCC(=O)NCCOc1cc(C)cc(c1)C Amb17331147 [0,0,1,0,0,0|3,0,0]=4 16 B16R1.4381 CCC(=O)NCCOc1cc(C)cc(C)c1 Amb23309702 [0,0,1,0,0,0|2,0,0]=3 17 B16R1.6846 C\C(=C/C(=O)O)\COc1cc(C)cc(c1)C Amb17244263 [0,0,1,0,0,0|2,0,1]=4 18 B16R1.6846 Cc1cc(cc(C)c1)OCC(=O)NC(N)=O Amb22274936 [0,0,1,0,0,0|2,0,1]=4 19 B16R2.79318 Cc1cc(CC=2CCC(=O)C2)cc(C)c1 Amb25316570 [0,0,0,0,1,0|2,0,1]=4 20 B16R2.79318 Cc1cc(CN2CC(=O)CC2)cc(C)c1 Amb24587229 [0,0,0,0,1,0|3,0,0]=4 21 B16R2.79318 Cc1cc(cc(C)c1)OC2CCC(=O)C2 Amb25100181 [0,0,0,0,1,0|2,0,0]=3 22 B15R1.9720 OC(CC#N)COc1cc(C)cc(c1)C Amb17238419 [1,0,1,0,0,0|1,0,1]=4 23 B15R1.942 CNC(=O)CCCOc1cccc(Br)c1 Amb22289218 [1,0,1,0,0,0|2,0,0]=4 24 B15R1.942 Cc1cc(ccc1)OCCCC(=O)NC Amb22269312 [1,0,1,0,0,0|1,0,0]=3 25 B15R1.5448 CC(=O)NCCOc1cc(C)cc(C)c1 Amb23011045 [1,0,1,0,0,0|1,0,0]=3 26 B15R1.5448 Cc1cc(Br)cc(c1)OCCNC(C)=O Amb23591089 [1,0,1,0,0,0|2,0,0]=4 27 B15R1.5448 ClC(=O)CCCOc1cc(C)cc(c1)C Amb17144116 [1,0,1,0,0,0|2,0,0]=4 28 B15R1.5448 NC(=O)NCCOc1cc(C)cc(c1)C Amb17239872 [1,0,1,0,0,0|1,0,0]=3 29 B15R1.119 Cc1cc(ccc1)OCCC#CC(O)=O Amb24687436 [1,0,1,0,0,0|1,0,1]=4 30 B15R2.283 NC1=NCC(COc2ccccc2)O1 Amb24652587 [2,0,0,0,0,0|1,0,1]=4 31 B15R2.283 O=C1CC(CN1)COc2ccccc2 Amb25665268 [2,0,0,0,0,0|1,0,0]=3 32 B15R2.283 O=C1CC(CN1)CSc2ccccc2 Amb25771687 [2,0,0,0,0,0|1,1,0]=4 33 B15R2.283 O=C1CCC(CSc2ccccc2)O1 Amb25277398 [2,0,0,0,0,0|1,1,0]=4 34 B15R2.283 O=C1NCC(CNc2ccccc2)O1 Amb25082861 [2,0,0,0,0,0|1,0,0]=3 35 B15R2.283 O=C1NCC(CSc2ccccc2)O1 Amb25756159 [2,0,0,0,0,0|0,1,0]=3 36 B15R2.283 O=C1NC[C@@H](COc2ccccc2)O1 Amb25315100 [2,0,0,0,0,0|0,0,0]=2 37 B15R2.283 O=C1OC(CO1)COc2ccccc2 Amb22446931 [2,0,0,0,0,0|1,0,0]=3 38 B15R2.283 S=C1OC(CS1)COc2ccccc2 Amb22450310 [2,0,0,0,0,0|1,1,0]=4 39 B15R2.1117 Cc1cc(ccc1)OCC2CNCC2 Amb18988993 [2,0,0,0,0,0|1,0,1]=4 40 B17R1.1617 BrCCC(=O)NCCOc1cc(C)cc(c1)C Amb17331570 [0,1,1,0,0,0|2,0,0]=4 41 B17R1.1617 CNCC(=O)NCCOc1cc(C)cc(C)c1 Amb24933127 [0,1,1,0,0,0|1,0,0]=3 42 B17R1.1617 COCC(=O)NCCOc1cc(C)cc(C)c1 Amb23309653 [0,1,1,0,0,0|2,0,0]=4 43 B17R1.1617 ClCCC(=O)NCCOc1cc(C)cc(c1)C Amb17324551 [0,1,1,0,0,0|2,0,0]=4 44 B17R1.1751 CCC(=O)N(C)CCOc1cc(C)cc(C)c1 Amb21757016 [0,1,1,0,0,0|2,0,0]=4 45 B17R1.4797 Cc1cc(cc(C)c1Br)OCCCC(=O)NN Amb19960857 [0,1,1,0,0,0|2,0,0]=4 46 B17R1.8176 CC(C)C(=O)NCCOc1cc(C)cc(C)c1 Amb23309703 [0,1,1,0,0,0|2,0,0]=4 47 B17R1.8176 CN(C)C(=O)OCCOc1cc(C)[n]c(C)c1 Amb24284911 [0,1,1,0,0,0|1,0,0]=3 48 B17R1.8176 O=C(C(Br)C)NCCOc1cc(C)cc(c1)C Amb17324854 [0,1,1,0,0,0|2,0,0]=4 49 B17R1.8778 Cc1cc(cc(C)c1)OCCN=C(NC)NC Amb24222282 [0,1,1,0,0,0|2,0,0]=4 50 B17R1.1341 ClCC(=O)NCCCOc1cc(C)cc(c1)C Amb17264834 [0,1,1,0,0,0|1,0,0]=3 51 B17R1.75824 Cc1cc(C)cc(OCCCNC(N)=N)c1C Amb19416951 [0,1,1,0,0,0|2,0,0]=4 52 B17R1.92983 Cc1cc(cc(C)c1Br)OCCCCC(O)=O Amb19960910 [0,1,1,0,0,0|1,0,0]=3 53 B17R2.8998 Cc1cc(OCC2CNCC2)c(C)c(C)c1 Amb21956893 [1,1,0,0,0,0|1,0,1]=4 54 B17R2.247415 Cc1cc(cc(C)c1Cl)OCC2CNCC2 Amb21957000 [1,1,0,0,0,0|1,0,1]=4 55 B19R2.4409016 Cc1cc(cc(Br)c1)C(=O)OCC2CC(=O)NC2 Amb24260316 [0,1,0,0,0,1|2,0,0]=4 56 B19R2.44754 CC1(C)COC(CN1)COc2cc(C)cc(C)c2 Amb18582660 [0,1,0,0,0,1|1,0,1]=4 57 B17R2.1157818 NCC1CN(C(=O)C1)c2cc(C)cc(c2)C Amb17077403 [0,0,1,1,0,0|2,0,0]=4 58 B17R2.1157818 NCC1CN(C(=O)O1)c2cc(C)cc(c2)C Amb17077303 [0,0,1,1,0,0|1,0,0]=3 59 B17R2.26341 Cc1cc2NCCC(CC(O)=O)c2c(C)c1 Amb18560237 [0,0,1,1,0,0|2,0,0]=4 60 B17R2.26341 NC(=O)CC1CCOc2c1c(C)cc(c2)C Amb17243745 [0,0,1,1,0,0|2,0,0]=4 61 B17R2.26341 OC(=O)CC1CCOc2c1c(C)cc(c2)C Amb17244273 [0,0,1,1,0,0|1,0,0]=3 62 B17R2.26341 OC(=O)\C=C\1/CCOc2c1c(C)cc(c2)C Amb17243080 [0,0,1,1,0,0|1,0,1]=4 63 B17R2.196796 Cc1cc(C)c2c(c1)OCCCC2C(=O)O Amb17580092 [0,0,1,1,0,0|1,0,0]=3 64 B15R1.931 NNC(=O)CCNc1cc(C)cc(c1)C Amb17605086 [0,0,1,0,1,0|2,0,0]=4 65 B15R1.5446 CC(Nc1cc(C)cc(c1)C)CC(=O)N Amb17239035 [0,0,1,0,1,0|2,0,0]=4 66 B15R1.5446 CC(Oc1cc(C)cc(c1)C)CC(=O)N Amb17239336 [0,0,1,0,1,0|1,0,0]=3 67 B15R1.5455 CC(C(=O)N)COc1cc(C)cc(c1)C Amb17239337 [0,0,1,0,1,0|0,0,0]=2 68 B15R1.5455 CC(C(=O)N)COc1cc(Cl)cc(c1)Cl Amb17259691 [0,0,1,0,1,0|2,0,0]=4 69 B15R2.288 C[n]1cc(c[n]1)OCC2CNC(=O)O2 Amb24616258 [1,0,0,0,1,0|2,0,0]=4 70 B15R2.1115 Cc1cc(CC2=NNC(=O)O2)ccc1 Amb24419613 [1,0,0,0,1,0|1,0,1]=4 71 B15R2.1115 Cc1cc(CC2CNC(=O)C2)ccc1 Amb24467675 [1,0,0,0,1,0|1,0,0]=3 72 B15R2.1115 O=C1NCC(Cc2cccc(Cl)c2)O1 Amb25103692 [1,0,0,0,1,0|1,0,0]=3 73 B15R2.1115 O=C1NCC(Cc2cccc(F)c2)O1 Amb24506386 [1,0,0,0,1,0|1,0,0]=3 74 B15R2.1115 Oc1cc(CC2CCC(=O)O2)ccc1 Amb20668453 [1,0,0,0,1,0|2,0,0]=4 75 B15R2.1115 Oc1cc(CC2CNC(=O)C2)ccc1 Amb25843139 [1,0,0,0,1,0|2,0,0]=4 76 B15R2.1115 Oc1cc(C[C@@H]2CCC(=O)O2)ccc1 Amb24506328 [1,0,0,0,1,0|2,0,0]=4 77 B15R2.1115 Oc1cc(C[C@H]2CCC(=O)O2)ccc1 Amb25073401 [1,0,0,0,1,0|2,0,0]=4 78 B15R2.6880 Cc1cc(CC2CNCC2)cc(C)c1 Amb24388853 [1,0,0,0,1,0|1,0,1]=4 79 B15R2.6880 Cc1cc(OC2CNCC2)cc(c1)C Amb17191368 [1,0,0,0,1,0|1,0,1]=4 80 B15R2.6880 Cc1cc(cc(C)c1)OC2CNCC2 Amb21955046 [1,0,0,0,1,0|1,0,1]=4 81 B15R2.6880 Cc1cc(cc(C)c1)O[C@@H]2CNCC2 Amb25761419 [1,0,0,0,1,0|1,0,1]=4 82 B15R2.6883 Cc1c[n](CC2CNC(=O)C2)cc1C Amb25265352 [0,0,0,0,2,0|2,0,0]=4 83 B15R2.6883 Cc1c[n](CC2CNC(=O)O2)cc1C Amb25697893 [0,0,0,0,2,0|1,0,0]=3 84 B15R2.6884 Cc1cc(C)[n][n]1CC2CNC(=O)O2 Amb24344793 [0,0,0,0,2,0|2,0,0]=4 85 B15R2.41345 Cc1cc(cc(C)c1)C2CN=C(N)O2 Amb25037779 [0,0,0,0,2,0|1,0,1]=4 86 B15R2.41345 Cc1cc(cc(C)c1)[C@@H]2CCC(=O)N2 Amb24407294 [0,0,0,0,2,0|2,0,0]=4 87 B15R2.41345 Cc1cc(cc(C)c1)[C@@H]2CCC(=O)O2 Amb24571209 [0,0,0,0,2,0|1,0,0]=3 88 B15R2.41345 Cc1cc(cc(C)c1)[C@@H]2COC(=O)N2 Amb25776063 [0,0,0,0,2,0|2,0,0]=4 89 B15R2.41345 Cc1cc(cc(C)c1)[C@H]2COC(=O)N2 Amb25329574 [0,0,0,0,2,0|2,0,0]=4 90 B15R2.41345 Cc1cc(cc(Cl)c1)C2CNC(=O)C2 Amb25665557 [0,0,0,0,2,0|2,0,0]=4 91 B17R2.5296 O=C1NCC(CSCc2cccc(Cl)c2)O1 Amb19505266 [1,0,0,0,0,1|1,1,0]=4 92 B17R2.3489 Cc1cc(Cl)ccc1OCC2COC(=O)O2 Amb22454488 [0,0,0,0,1,1|2,0,0]=4 93 B19R2.483874 O=C1NCCN(C1)CCOc2cc(C)cc(c2)C Amb1568261 [0,0,0,0,0,2|2,0,0]=4