"1" . "-3.1" . "ChemAxon" . "-2" . "64.98" . "9.46" . "0.65" . "InChIKey=RMOYVWKKOKERSW-UHFFFAOYSA-N" . "CC(C)N1C(C)=NC=C1C1=NC(NC2=CC=C(C=C2)N2CCN(CC2)C(=O)CO)=NC=C1" . "ALOGPS" . "4" . "0.34" . "C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1" . "-5.1" . "5" . "10.1" . "3.71" . "InChI=1S/C37H57N12O18S.Fe/c1-17(51)47(65)12-5-8-20(38)30(57)40-21(9-6-13-48(66)18(2)52)31(58)41-22(10-7-14-49(67)19(3)53)32(59)42-23(16-50)33(60)44-25(35(61)62)26(54)29-27(55)28(56)34(68-29)46-15-11-24(43-36(39)63)45(4)37(46)64;/h11,15,20-23,25-29,34,50,54-56H,5-10,12-14,16,38H2,1-4H3,(H2,39,63)(H,40,57)(H,41,58)(H,42,59)(H,44,60)(H,61,62);/q-3;+3/b43-24+;/t20-,21-,22+,23+,25+,26-,27+,28+,29-,34+;/m0./s1" . "3.57" .