0 B18R2.15398 COc1cc(ccc1O)Sc2nc([nH]c2C)C 62a_200009820778_100000694246 [0,0,0,0,0,0|4,0,0]=4 1 B18R2.15398 COc1cc(ccc1O)Sc2sc(cc2C)C 62a_100000689295_100000694246 [0,0,0,0,0,0|4,0,0]=4 2 B18R2.15398 COc1cc(ccc1O)Sc2sc(nc2C)C 62a_100009814099_100000694246 [0,0,0,0,0,0|3,0,1]=4 3 B18R2.15398 COc1cc(ccc1O)Sc2sc(nc2C)N 62a_100159269596_100000694246 [0,0,0,0,0,0|3,0,1]=4 4 B17R2.2499 COc1cc(ccc1O)Sc2c[nH]c(n2)C 62a_100009814057_100000694246 [1,0,0,0,0,0|3,0,0]=4 5 B17R2.2499 COc1cc(ccc1O)Sc2ccc(s2)Br 62a_100010197418_100000694246 [1,0,0,0,0,0|3,0,0]=4 6 B17R2.2499 COc1cc(ccc1O)Sc2ccc(s2)C 62a_100000031368_100000694246 [1,0,0,0,0,0|3,0,0]=4 7 B17R2.2499 COc1cc(ccc1O)Sc2cnc(s2)Br 62a_100012357534_100000694246 [1,0,0,0,0,0|2,0,1]=4 8 B17R2.2499 COc1cc(ccc1O)Sc2cnc(s2)C 62a_100000764884_100000694246 [1,0,0,0,0,0|2,0,1]=4 9 B17R2.2499 COc1cc(ccc1O)Sc2cnc(s2)N 62a_100000718969_100000694246 [1,0,0,0,0,0|2,0,1]=4 10 B17R2.10430 COc1cc(ccc1O)Sc2nc[nH]c2C 62a_100010186451_100000694246 [1,0,0,0,0,0|3,0,0]=4 11 B17R2.10430 COc1cc(ccc1O)Sc2sccc2Br 62a_100012361411_100000694246 [1,0,0,0,0,0|3,0,0]=4 12 B17R2.10430 COc1cc(ccc1O)Sc2sccc2C 62a_100010247149_100000694246 [1,0,0,0,0,0|3,0,0]=4 13 B17R2.10430 COc1cc(ccc1O)Sc2scnc2C 62a_100009817116_100000694246 [1,0,0,0,0,0|2,0,1]=4 14 B17R1.5260 C=C(C)CC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000748629 [0,0,1,0,0,0|3,0,0]=4 15 B17R1.5260 C=C(F)CC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100009893438 [0,0,1,0,0,0|3,0,0]=4 16 B17R1.5260 COc1cc(ccc1O)C=CC(=O)CC(=O)N 1458a_100000182119_100000187820 [0,0,1,0,0,0|2,1,0]=4 17 B17R1.5260 COc1cc(ccc1O)C=CC(=O)CC(=O)[O-] 1458a_100000182119_100020667443 [0,0,1,0,0,0|1,2,0]=4 18 B17R2.10469 COc1cc(ccc1O)c2sc(cc2C)C 271570a_100000040328_100000689295 [0,0,0,0,1,0|3,0,0]=4 19 B17R2.10469 COc1cc(ccc1O)c2sc(nc2C)C 271570a_100000040328_100009814099 [0,0,0,0,1,0|2,0,1]=4 20 B17R2.10469 COc1cc(ccc1O)c2sc(nc2C)C 271570a_100000068875_100000694246 [0,0,0,0,1,0|2,0,1]=4 21 B19R2.22012 COc1cc(ccc1O)Nc2n[nH]c(=O)[nH]c2=O 27a_100000726020_100000181694 [0,0,0,0,0,1|2,1,0]=4 22 B19R2.22012 COc1cc(ccc1O)Sc2cnc([nH]c2=O)C 62a_100011999157_100000694246 [0,0,0,0,0,1|3,0,0]=4 23 B19R2.22012 COc1cc(ccc1O)Sc2cnc([nH]c2=O)N 62a_100012456729_100000694246 [0,0,0,0,0,1|3,0,0]=4 24 B19R2.22014 COc1cc(ccc1O)Nc2cc(n[nH]c2=O)C 27a_100000726020_100009819039 [0,0,0,0,0,1|3,0,0]=4 25 B19R2.22014 COc1cc(ccc1O)Sc2cc(c[nH]c2=O)F 62a_100009817720_100000694246 [0,0,0,0,0,1|3,0,0]=4 26 B19R2.22014 COc1cc(ccc1O)Sc2cc(n[nH]c2=O)C 62a_100009819039_100000694246 [0,0,0,0,0,1|3,0,0]=4 27 B19R2.22014 COc1cc(ccc1O)Sc2nc(c[nH]c2=O)C 62a_100009858157_100000694246 [0,0,0,0,0,1|3,0,0]=4 28 B19R2.3580158 COc1cc(ccc1O)Nc2cc(=O)[nH]c(=O)[nH]2 27a_100000726020_100000015670 [0,0,0,0,0,1|2,1,0]=4 29 B19R2.3580158 COc1cc(ccc1O)Nc2cc([nH]c(=O)c2)C 27a_100000726020_100009861981 [0,0,0,0,0,1|3,0,0]=4 30 B19R2.3580158 COc1cc(ccc1O)Sc2cc([nH]c(=O)c2)C 62a_100009861981_100000694246 [0,0,0,0,0,1|3,0,0]=4 31 B16R1.15083 C=CCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000210623 [1,0,1,0,0,0|2,0,0]=4 32 B16R2.2326 COc1cc(ccc1O)Sc2c[nH]cn2 62a_100000756875_100000694246 [2,0,0,0,0,0|2,0,0]=4 33 B16R2.2326 COc1cc(ccc1O)Sc2cccs2 62a_100011215356_100000694246 [2,0,0,0,0,0|2,0,0]=4 34 B16R2.2326 COc1cc(ccc1O)Sc2cncs2 62a_100011934649_100000694246 [2,0,0,0,0,0|1,0,1]=4 35 B18R2.787 COc1cc(ccc1O)Sc2sccc2C=O 62a_100009816921_100000694246 [1,1,0,0,0,0|2,0,0]=4 36 B18R2.74651 CNCc1cccc(c1)/C=C\2/SC(=O)NC2=O 26a_100102657272_100014065989 [1,1,0,0,0,0|1,1,0]=4 37 B18R2.74651 CNCc1cccc(c1)/C=C\2/SC(=S)NC2=O 26a_100102657272_200020596250 [1,1,0,0,0,0|1,0,0]=3 38 B18R2.2511750 COc1cc(ccc1O)c2cc(=O)[nH]c(=O)[nH]2 271570a_100000040328_100000015670 [0,0,1,1,0,0|1,1,0]=4 39 B18R2.2511750 COc1cc(ccc1O)c2cc([nH]c(=O)c2)C 271570a_100000040328_100009861981 [0,0,1,1,0,0|2,0,0]=4 40 B18R2.15300 COc1cc(ccc1O)c2cnc([nH]c2=O)C 271570a_100000040328_100011999157 [0,0,1,1,0,0|2,0,0]=4 41 B18R2.15300 COc1cc(ccc1O)c2cnc([nH]c2=O)N 271570a_100000040328_100012456729 [0,0,1,1,0,0|2,0,0]=4 42 B18R2.15300 COc1cc(ccc1O)c2cnc([nH]c2=O)O 271570a_100000040328_100011215686 [0,0,1,1,0,0|1,1,0]=4 43 B18R2.15303 COc1cc(ccc1O)c2ccsc2C(=O)C 271570a_100000040328_100000738688 [0,0,1,1,0,0|2,0,0]=4 44 B18R2.15303 COc1cc(ccc1O)c2ccsc2C(=O)C 271570a_200000066646_100000694246 [0,0,1,1,0,0|2,0,0]=4 45 B18R2.15303 COc1cc(ccc1O)c2ncsc2C(=O)C 271570a_100000040328_200010339033 [0,0,1,1,0,0|2,0,0]=4 46 B16R2.2324 COc1cc(ccc1O)c2c[nH]c(n2)C 271570a_100000040328_100009814057 [1,0,0,0,1,0|2,0,0]=4 47 B16R2.2324 COc1cc(ccc1O)c2ccc(s2)Br 271570a_100000040328_100010197418 [1,0,0,0,1,0|2,0,0]=4 48 B16R2.2324 COc1cc(ccc1O)c2ccc(s2)C 271570a_100000040328_100000761539 [1,0,0,0,1,0|2,0,0]=4 49 B16R2.2324 COc1cc(ccc1O)c2ccc(s2)C 271570a_100011934456_100000694246 [1,0,0,0,1,0|2,0,0]=4 50 B16R2.2324 COc1cc(ccc1O)c2ccc(s2)Cl 271570a_100000708867_100000694246 [1,0,0,0,1,0|2,0,0]=4 51 B16R2.2324 COc1cc(ccc1O)c2cnc(s2)C 271570a_100000040328_100000764884 [1,0,0,0,1,0|1,0,1]=4 52 B16R2.2324 COc1cc(ccc1O)c2cnc(s2)C 271570a_100000696845_100000694246 [1,0,0,0,1,0|1,0,1]=4 53 B16R2.6871 COc1cc(ccc1O)c2nc[nH]c2C 271570a_100000040328_100009816806 [1,0,0,0,1,0|2,0,0]=4 54 B16R2.6871 COc1cc(ccc1O)c2sccc2Br 271570a_100000040328_100012361411 [1,0,0,0,1,0|2,0,0]=4 55 B16R2.6871 COc1cc(ccc1O)c2sccc2C 271570a_100000040328_100000742657 [1,0,0,0,1,0|2,0,0]=4 56 B16R2.6871 COc1cc(ccc1O)c2sccc2C 271570a_100000734444_100000694246 [1,0,0,0,1,0|2,0,0]=4 57 B16R2.6871 COc1cc(ccc1O)c2scnc2C 271570a_100000040328_100009817116 [1,0,0,0,1,0|1,0,1]=4 58 B16R2.6871 COc1cc(ccc1O)c2scnc2C 271570a_100010115231_100000694246 [1,0,0,0,1,0|1,0,1]=4 59 B18R2.15302 COc1cc(ccc1O)c2cc(c[nH]c2=O)F 271570a_100000040328_100009817720 [0,0,0,0,1,1|2,0,0]=4 60 B18R2.15302 COc1cc(ccc1O)c2cc(n[nH]c2=O)C 271570a_100000040328_100009819039 [0,0,0,0,1,1|2,0,0]=4 61 B18R2.15302 COc1cc(ccc1O)c2nc(c[nH]c2=O)C 271570a_100000040328_100009858157 [0,0,0,0,1,1|2,0,0]=4