# text_key_values

key: SMILES
value:
  c1(c(c(c(c2c1ncc(n2)SC)c1c(c2c(c(co2)OC)n1C)C)C)OC)c1cc2c(s1)c(c(n2C)c1c(c2c(c3c(cc2n1C)c(cs3)F)SC)SC)C	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1sc2c(c1)n(c(c2C)c1c(SC)c2c(n1C)cc1c(c2SC)scc1F)C)OC)C)c1c(C)c2c(n1C)c(co2)OC	


key: InChI
value:
  InChI=1S/C41H38FN5O3S5/c1-17-27(32-18(2)37-34(47(32)6)24(48-7)15-50-37)31-30(43-14-26(44-31)51-9)29(36(17)49-8)25-13-23-38(55-25)19(3)33(46(23)5)35-40(52-10)28-22(45(35)4)12-20-21(42)16-54-39(20)41(28)53-11/h12-16H,1-11H3


key: InChI
value:
  InChI=1S/C35H28F2N4O4S5/c1-40-13-15(42-3)10-17(40)19-8-9-20(44-19)18-11-21-28(41(18)2)34(48-7)33(50-21)23-25(37)32(47-6)24(27-26(23)38-12-22(39-27)46-5)30-31(43-4)35-29(45-30)16(36)14-49-35/h8-14H,1-7H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)SC)OC)OC)c1cc(c(c(c1)C)F)SC)c1c(cco1)OC)C)OC)c1c(c(c(n1C)c1sc2c3[se]ccc3[GeH2]c2c1)SC)C	


key: CAN_SMILES
value:
  COc1c(C)c(c2occc2OC)c2c(c1c1n(C)c(c(c1C)SC)c1cc3c(s1)c1c([GeH2]3)cc[se]1)nc(c(n2)c1cc(OC)c(c(c1)SC)OC)c1cc(C)c(c(c1)SC)F	


key: InChI
value:
  InChI=1S/C47H44FGeN3O5S4Se/c1-21-16-24(18-30(58-9)35(21)48)36-37(25-17-29(54-6)43(56-8)32(19-25)59-10)50-38-33(44-28(53-5)12-14-57-44)22(2)42(55-7)34(39(38)51-36)40-23(3)45(60-11)41(52(40)4)31-20-27-46(61-31)47-26(49-27)13-15-62-47/h12-20H,49H2,1-11H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)OC)SC)c1cc(c(c(c1)F)OC)F)c1c(c2c(c(cs2)F)n1C)OC)SC)OC)c1c(c2c(s1)c(c(n2C)c1c(cc(c2c(ccs2)C)s1)OC)SC)OC	


key: CAN_SMILES
value:
  COc1cc(sc1c1c(SC)c2c(n1C)c(c(s2)c1c(OC)c(SC)c(c2c1nc(c1cc(F)c(c(c1)F)OC)c(n2)c1cc(C)c(c(c1)SC)OC)c1c(OC)c2c(n1C)c(cs2)F)OC)c1sccc1C	


key: InChI
value:
  InChI=1S/C53H47F3N4O6S7/c1-22-14-15-70-47(22)31-20-29(61-5)48(72-31)41-52(69-13)53-40(60(41)4)46(66-10)50(73-53)33-37-36(32(49(68-12)44(33)64-8)39-45(65-9)51-38(59(39)3)28(56)21-71-51)57-34(24-16-23(2)42(62-6)30(19-24)67-11)35(58-37)25-17-26(54)43(63-7)27(55)18-25/h14-21H,1-13H3


key: InChI
value:
  InChI=1S/C35H22F3N3O6S3/c1-41-11-15(36)13-6-16-25(26(37)30(13)41)27(38)33(45-16)19-9-20-34(47-19)35(50-5)31(46-20)14-7-22(48-3)24(29-28(14)40-23(49-4)10-39-29)17-8-18-32(44-17)21(42-2)12-43-18/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C33H31F2N5O2S3/c1-14-10-18(26-28(41-7)15(2)12-38(26)4)24-25(37-40(6)36-24)21(14)29-16(3)23(35)30(42-29)27-32(43-8)22-20(39(27)5)11-17-19(34)13-45-31(17)33(22)44-9/h10-13H,1-9H3


key: InChI
value:
  InChI=1S/C33H24FNO6SSe3/c1-35-9-8-22(42-5)27(35)19-13-20(39-3)30(41-19)31-21(40-4)14-24(44-31)33-26-25(32(45-33)23-7-6-10-43-23)28(36)15-11-17(34)18(38-2)12-16(15)29(26)37/h6-14H,1-5H3


key: SMILES
value:
  c1(c2c(c([se]1)c1cc(c[se]1)F)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(s1)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1)F	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)c1sc(cc1F)c1[se]c(c2c1C(=O)c1cc(C)c(cc1C2=O)OC)c1[se]cc(c1)F	


key: InChI
value:
  InChI=1S/C48H31F3O4S4Se2/c1-20-7-23(11-27(8-20)54-4)38-31-16-34(58-44(31)39(37-22(3)18-57-46(37)38)24-10-25(49)13-28(12-24)56-6)45-32(51)17-35(59-45)47-40-41(48(61-47)36-14-26(50)19-60-36)43(53)30-15-33(55-5)21(2)9-29(30)42(40)52/h7-19H,1-6H3


key: InChI
value:
  InChI=1S/C36H33F2N3O2S5/c1-18-13-27(33-25(44-5)11-12-41(33)2)48-35(18)29-32-23(17-28(46-7)34(29)43-4)39-31(20-14-21(37)36(47-8)22(38)15-20)30(40-32)19-9-10-24(42-3)26(16-19)45-6/h9-17H,1-8H3


key: InChI
value:
  InChI=1S/C31H25NO4S5Se/c1-13-10-32(3)25-19(38-5)9-17-15(11-40-28(13)25)7-18(36-17)29-22-23(30(41-29)20-8-16(37-4)12-42-20)27(34)24-21(26(22)33)14(2)35-31(24)39-6/h7-10,12H,11H2,1-6H3/b19-9-


key: InChI
value:
  InChI=1S/C30H20O5S3Se2Si/c1-11-7-14(35-25(11)15-9-18-29(40-15)26-17(41-18)5-6-33-26)27-20-21(28(38-27)16-8-13(36-3)10-39-16)24(32)22-19(23(20)31)12(2)34-30(22)37-4/h5-10H,41H2,1-4H3


key: InChI
value:
  InChI=1S/C33H21F2NO3S7/c1-12-8-18(43-10-12)28-21-20(25(37)22-23(26(21)38)33(42-5)46-32(22)35)27(39-28)17-7-6-16(45-17)24-30(40-3)19-15(36(24)2)9-13-14(34)11-44-29(13)31(19)41-4/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C31H22FNO3S6/c1-13-8-18(25-17(37-4)6-7-33(25)3)41-30(13)31-21(38-5)10-20(42-31)29-23-24(28(36-29)19-9-15(32)11-40-19)27(35)22-14(2)39-12-16(22)26(23)34/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C34H26FN3O3S4SeSi/c1-13-26-28(20(43-5)12-38(26)3)41-27(13)15-9-18(42-4)23(25-24(15)37-34(35)14(2)36-25)16-10-19-29(39-16)32(44-6)31(45-19)17-11-22-30(40-17)33-21(47-22)7-8-46-33/h7-12H,47H2,1-6H3


key: InChI
value:
  InChI=1S/C36H31FN4O3S4/c1-16-12-21(20-10-9-11-40(20)4)42-30(16)35-34(47-8)33-24(48-35)14-22(43-33)26-23(45-6)13-19(27-28(26)38-18(3)36(37)39-27)31-17(2)29-32(44-31)25(46-7)15-41(29)5/h9-15H,1-8H3


key: InChI
value:
  InChI=1S/C18H17N3O5/c1-21-9-10(22-2)7-12(21)13-5-6-14(25-13)16-17-11(19-26-20-17)8-15(23-3)18(16)24-4/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C35H26F2N4O4S5/c1-13-11-43-30-25-17(44-27(13)30)8-15(40(25)2)16-9-18-26(41(16)3)34(48-7)33(50-18)20-22(37)32(47-6)21(24-23(20)38-10-19(39-24)46-5)29-31(42-4)35-28(45-29)14(36)12-49-35/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C18H17N3O3S2/c1-21-8-7-14(25-4)17(21)12-9-13(23-3)18(24-12)15-11(22-2)6-5-10-16(15)20-26-19-10/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C30H18FNO5S4/c1-11-8-35-29-23-16(36-26(11)29)6-15(32(23)3)30-19(38-4)7-18(41-30)28-21-22(27(37-28)17-5-13(31)9-40-17)25(34)20-12(2)39-10-14(20)24(21)33/h5-10H,1-4H3


key: InChI
value:
  InChI=1S/C30H17FO5S5Se/c1-10-5-14(36-24(10)15-7-16-28(39-15)25-26(40-16)13(31)8-34-25)27-19-20(29(41-27)17-6-12(37-3)9-42-17)23(33)21-18(22(19)32)11(2)35-30(21)38-4/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H17FO4S5/c1-12(7-16(31)17-5-4-6-35-17)29-28-20(39(29)3)9-19(38-28)27-22-23(26(34-27)18-8-14(30)10-37-18)25(33)21-13(2)36-11-15(21)24(22)32/h4-11H,1-3H3


key: InChI
value:
  InChI=1S/C29H14F2O7S3Se/c1-9-17-20(29(34-2)42-9)22(33)18-19(21(17)32)26(15-4-10(39-3)8-40-15)38-25(18)13-5-11(30)23(36-13)16-6-14-28(41-16)27-24(37-14)12(31)7-35-27/h4-8H,1-3H3


key: InChI
value:
  InChI=1S/C34H26FGeN3O2S5Se/c1-13-26-28(22(43-5)12-39(26)3)41-27(13)15-9-19(42-4)23(25-24(15)38-34(35)14(2)37-25)18-11-20-29(40-18)32(44-6)31(45-20)21-10-17-30(46-21)33-16(36-17)7-8-47-33/h7-12H,36H2,1-6H3


key: InChI
value:
  InChI=1S/C20H15FN2O3S/c1-8-7-25-18-10(3)14-16(21)20(26-19(14)9(2)13(8)18)15-12(24-4)6-5-11-17(15)23-27-22-11/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C28H15FO3S5SeSi/c1-10-7-13(35-9-10)24-18-17(21(30)19-20(22(18)31)28(33-2)37-27(19)29)23(32-24)12-4-3-11(36-12)14-8-16-26(38-14)25-15(39-16)5-6-34-25/h3-9H,39H2,1-2H3


key: InChI
value:
  InChI=1S/C16H10FN3O2S/c1-7-3-4-9-13(19-20(2)18-9)12(7)11-5-10-16(23-11)15-14(22-10)8(17)6-21-15/h3-6H,1-2H3


key: InChI
value:
  InChI=1S/C16H9FN2O3S3/c1-23-10-3-7-12(19-22-18-7)11(16(10)24-2)9-4-8-15(25-9)14-13(21-8)6(17)5-20-14/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C30H19FO6S4Se/c1-12-21-24(30(34-2)42-12)26(33)22-23(25(21)32)29(20-8-14(39-4)11-40-20)37-28(22)17-9-15(31)27(36-17)19-6-5-18(41-19)16-7-13(38-3)10-35-16/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C32H24FNO5S4Se/c1-13-9-19(25-18(41-6)7-8-34(25)3)43-31(13)28-16(33)11-17(38-28)29-22-23(30(39-29)20-10-15(40-5)12-42-20)26(35)21-14(2)44-32(37-4)24(21)27(22)36/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C16H12GeN2OS3Se/c1-21-11-6-9-13(19-20-18-9)12(15(11)22-2)10-5-8-14(23-10)16-7(17-8)3-4-24-16/h3-6H,17H2,1-2H3


key: InChI
value:
  InChI=1S/C32H25FN2O6S2Se/c1-14-23-26(32(39-5)44-14)28(37)24-25(27(23)36)31(22-10-16(42-6)13-43-22)41-30(24)21-11-17(33)29(40-21)19-8-7-18(35(19)3)20-9-15(38-4)12-34(20)2/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C19H19N3OS4/c1-22-6-5-15(26-4)18(22)16-7-11(10-24-2)19(27-16)13-8-12(25-3)9-14-17(13)21-23-20-14/h5-7,9,24H,10H2,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)SC)OC)OC)c1cc(c(c(c1)C)F)SC)c1c(cco1)OC)C)OC)c1c(c(c(n1C)c1oc2c3[se]ccc3[nH]c2c1)SC)C	


key: CAN_SMILES
value:
  COc1c(C)c(c2occc2OC)c2c(c1c1n(C)c(c(c1C)SC)c1cc3c(o1)c1c([nH]3)cc[se]1)nc(c(n2)c1cc(OC)c(c(c1)SC)OC)c1cc(C)c(c(c1)SC)F	


key: InChI
value:
  InChI=1S/C47H43FN4O6S3Se/c1-21-16-24(18-31(59-9)35(21)48)36-37(25-17-30(54-6)44(56-8)32(19-25)60-10)50-38-33(45-28(53-5)12-14-57-45)22(2)42(55-7)34(39(38)51-36)40-23(3)46(61-11)41(52(40)4)29-20-27-43(58-29)47-26(49-27)13-15-62-47/h12-20,49H,1-11H3


key: InChI
value:
  InChI=1S/C32H26F3N5OS6/c1-11-15(22-31(43-7)23-21(39(22)4)14(42-6)9-38(23)3)19-20(37-40(5)36-19)16(17(11)34)28-32(44-8)25-26(46-28)12(2)24(41-25)29-18(35)30-27(47-29)13(33)10-45-30/h9-10H,1-8H3


key: InChI
value:
  InChI=1S/C33H24FNO5S4/c1-15-8-18-19(11-22(15)38-3)30(37)27-28(29(18)36)33(44-32(27)23-10-17(42-5)14-39-23)24-12-20(34)31(40-24)26-7-6-25(43-26)21-9-16(41-4)13-35(21)2/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C32H20F2O5S3Se2/c1-13-7-19(38-28(13)30-21(40-3)5-6-42-30)29-17(34)11-20(39-29)31-24-25(32(44-31)23-8-14(33)12-43-23)26(35)15-9-18(37-2)22(41-4)10-16(15)27(24)36/h5-12H,1-4H3


key: InChI
value:
  InChI=1S/C27H21F2N3O4S3/c1-12-9-17(16-7-6-8-35-16)39-25(12)24-23(34-4)22(33-3)21(36-24)18-14(28)10-13(19-20(18)31-32(2)30-19)26-27(37-5)15(29)11-38-26/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C18H17N3O2S2/c1-21-6-4-5-15(21)16-7-11(10-24-2)18(22-16)13-8-12(25-3)9-14-17(13)20-23-19-14/h4-7,9,24H,10H2,1-3H3


key: InChI
value:
  InChI=1S/C29H16FNO6S2Se2/c1-10-18-21(29(34-2)41-10)23(33)19-20(22(18)32)27(17-6-11(38-3)9-39-17)37-26(19)15-7-12(30)24(35-15)16-8-14-25(36-16)28-13(31-14)4-5-40-28/h4-9,31H,1-3H3


key: InChI
value:
  InChI=1S/C18H15N3O3S2/c1-8-7-22-17-15-11(23-16(8)17)6-10(21(15)2)13-14-9(19-24-20-14)5-12(25-3)18(13)26-4/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C31H19FGeO5S3Se/c1-12-6-14-15(8-19(12)36-2)26(35)23-24(25(14)34)30(41-29(23)20-7-13(39-3)11-37-20)21-9-16(32)27(38-21)22-10-18-28(40-22)31-17(33-18)4-5-42-31/h4-11H,33H2,1-3H3


key: InChI
value:
  InChI=1S/C30H17FO6S2SeSi/c1-34-13-3-4-14-15(8-13)25(33)23-22(24(14)32)26(16-7-12(31)11-36-16)37-27(23)18-9-17(35-2)28(39-18)19-10-21-30(40-19)29-20(41-21)5-6-38-29/h3-11H,41H2,1-2H3


key: InChI
value:
  InChI=1S/C30H30FN5O4/c1-15-11-19(27-28(38-8)16(2)13-35(27)5)25-26(33-36(6)32-25)23(15)29-17(3)24(31)30(40-29)22-10-9-21(39-22)20-12-18(37-7)14-34(20)4/h9-14H,1-8H3


key: InChI
value:
  InChI=1S/C30H24FN3OS6/c1-13-22-25(19-11-15(31)14(2)39-19)30-26(20(36-5)12-38-30)24(18-9-10-21(37-6)40-18)29(22)34(3)28(13)23-17(35-4)8-7-16-27(23)33-41-32-16/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C17H13N3O3S/c1-8-7-22-17-15-12(23-16(8)17)6-10(20(15)2)13-11(21-3)5-4-9-14(13)19-24-18-9/h4-7H,1-3H3


key: InChI
value:
  InChI=1S/C33H22FNO7S2/c1-13-6-16-17(8-20(13)38-4)28(37)24-25(27(16)36)33(44-32(24)22-7-15(43-5)12-39-22)23-9-18(34)30(42-23)19-10-21-26(35(19)3)31-29(41-21)14(2)11-40-31/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C30H13F3O5S2Se2/c1-10-3-12-13(5-16(10)36-2)24(35)22-21(23(12)34)29(42-30(22)20-4-11(31)9-41-20)19-6-14(32)27(40-19)18-7-17-28(39-18)26-25(38-17)15(33)8-37-26/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C31H26FN3O5S4/c1-13-19(41-5)12-17(38-13)21-14-8-9-44-29(14)22(16-11-18(36-3)31(32)35(16)2)23-26(21)39-28(27(23)37-4)24-25-15(33-40-34-25)10-20(42-6)30(24)43-7/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C33H24F2N2O3S2/c1-15-6-8-18(9-7-15)26-24-17(3)31(28-22(38-4)11-10-21-30(28)37-42-36-21)40-32(24)25(27-23(39-5)14-41-33(26)27)19-12-16(2)29(35)20(34)13-19/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C33H19F3O8S2Se/c1-10-8-41-29-16(10)30(39-3)31-21(22(29)35)23(36)32(44-31)26-13(34)7-14(42-26)27-18-19(28(43-27)15-6-12(45-5)9-46-15)24(37)17-11(2)47-33(40-4)20(17)25(18)38/h6-9H,1-5H3


key: InChI
value:
  InChI=1S/C35H26FNO5S5/c1-13-10-37(4)26-21(13)32(41-6)35-22(31(26)40-5)14(2)33(47-35)34-20(43-7)9-19(46-34)30-24-25(29(42-30)18-8-16(36)11-45-18)28(39)23-15(3)44-12-17(23)27(24)38/h8-12H,1-7H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)SC)C(=O)c1c([se]c(c1C2=O)OC)C)c1cc(c(o1)c1sc2c(c(c3c(c2c2ccc(s2)F)c(cs3)SC)c2cc(c(s2)OC)C)c1)F	


key: CAN_SMILES
value:
  CSc1csc(c1)c1oc(c2c1C(=O)c1c(C2=O)c([se]c1C)OC)c1oc(c(c1)F)c1sc2c(c1)c(c1sc(c(c1)C)OC)c1c(c2c2ccc(s2)F)c(SC)cs1	


key: InChI
value:
  InChI=1S/C42H26F2O6S7Se/c1-15-9-22(57-41(15)47-3)28-18-11-24(56-39(18)29(21-7-8-26(44)55-21)30-25(52-6)14-54-40(28)30)36-19(43)12-20(49-36)37-31-32(38(50-37)23-10-17(51-5)13-53-23)34(45)27-16(2)58-42(48-4)33(27)35(31)46/h7-14H,1-6H3


key: InChI
value:
  InChI=1S/C33H23FO6S4/c1-14-8-17-18(11-20(14)37-3)28(36)25-26(27(17)35)32(44-31(25)22-10-16(41-4)13-38-22)23-12-19(34)30(40-23)21-9-15(2)29(39-21)33-24(42-5)6-7-43-33/h6-13H,1-5H3


key: InChI
value:
  InChI=1S/C17H10FN3OS/c1-8-7-19-15-10(20-8)3-2-9(18)14(15)13-6-12-16(22-13)17-11(21-12)4-5-23-17/h2-7,21H,1H3


key: InChI
value:
  InChI=1S/C32H20F3NO3S3Se2/c1-13-7-15-16(9-19(13)39-3)28(38)25-24(27(15)37)31(44-32(25)23-8-14(33)12-43-23)22-10-18(35)29(42-22)21-11-20(40-4)30(41-21)26-17(34)5-6-36(26)2/h5-12H,1-4H3


key: InChI
value:
  InChI=1S/C31H18F2O5S2Se2/c1-13-8-15-16(10-19(13)37-3)27(35)25-24(26(15)34)30(42-31(25)23-9-14(32)12-41-23)22-11-17(33)29(40-22)21-5-4-20(39-21)28-18(36-2)6-7-38-28/h4-12H,1-3H3


key: InChI
value:
  InChI=1S/C33H17F4NO7S/c1-38-10-17(35)16-8-18-22(25(36)27(16)38)26(37)32(44-18)33-20(42-3)9-21(46-33)31-24-23(30(45-31)19-6-12(34)11-43-19)28(39)14-5-4-13(41-2)7-15(14)29(24)40/h4-11H,1-3H3


key: InChI
value:
  InChI=1S/C26H18F3N3O5S2/c1-32-9-11(33-2)7-14(32)15-5-6-16(35-15)17-8-12(27)23(36-17)18-20(29)25(38-4)19(22-21(18)30-37-31-22)26-24(34-3)13(28)10-39-26/h5-10H,1-4H3


key: InChI
value:
  InChI=1S/C24H15F4N3OS5/c1-8-18(36-24(19(8)33-3)23-14(28)22-21(37-23)12(27)7-35-22)13-10(25)5-9(15-16(13)30-32-29-15)17-20(34-4)11(26)6-31(17)2/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C21H20FN3O3S2/c1-25-7-6-15(29-4)20(25)13-9-14(27-3)21(28-13)17-18(22)12(26-2)8-11-19(17)23-10-16(24-11)30-5/h6-10H,1-5H3


key: InChI
value:
  InChI=1S/C27H21FN4O2S3Se/c1-11-7-13(23-19(28)16(35-3)9-33-23)20-21(31-37-30-20)18(11)22-25(36-4)12(2)27(10-32(22)27)17-8-15-24(34-17)26-14(29-15)5-6-38-26/h5-9,12,29H,10H2,1-4H3/t12-,27+,32-/m0/s1


key: InChI
value:
  InChI=1S/C34H29F2N3O2S4/c1-39-17-21(42-4)15-23(39)25-10-11-26(45-25)29-31(36)28(44-6)16-22-34(29)38-33(19-13-24(41-3)30(35)27(14-19)43-5)32(37-22)18-8-7-9-20(12-18)40-2/h7-17H,1-6H3


key: InChI
value:
  InChI=1S/C37H30F3N3O2S5/c1-43-23-14-20-21(38)16-50-35(20)37(49-7)27(23)36(48-6)34(43)28-30(40)26(47-5)15-22-33(28)42-32(18-12-24(45-3)29(39)25(13-18)46-4)31(41-22)17-9-8-10-19(11-17)44-2/h8-16H,1-7H3


key: InChI
value:
  InChI=1S/C28H25FGeN4O3S/c1-12-9-15(23-24(35-6)13(2)11-33(23)4)21-22(32-34(5)31-21)19(12)25-14(3)20(29)27(37-25)18-10-17-26(36-18)28-16(30-17)7-8-38-28/h7-11H,30H2,1-6H3


key: InChI
value:
  InChI=1S/C30H20FNO8S/c1-32-17-7-8-38-26(17)29(37-4)23(32)30-19(36-3)11-20(41-30)28-22-21(27(40-28)18-9-13(31)12-39-18)24(33)15-6-5-14(35-2)10-16(15)25(22)34/h5-12H,1-4H3


key: InChI
value:
  InChI=1S/C16H13N3OSeSi/c1-8-3-4-9-14(18-19(2)17-9)13(8)10-7-12-15(20-10)16-11(22-12)5-6-21-16/h3-7H,22H2,1-2H3


key: InChI
value:
  InChI=1S/C33H26F2N2O3S2/c1-17-12-19(6-8-22(17)34)31-32(20-7-9-24(38-3)18(2)13-20)37-33-23(36-31)15-26(39-4)30(35)29(33)28-11-10-27(42-28)25-14-21(41-5)16-40-25/h6-16H,1-5H3


key: InChI
value:
  InChI=1S/C32H23F2N3O3S2Se/c1-38-17-7-5-6-15(10-17)28-29(16-11-22(39-2)26(33)23(12-16)41-3)37-30-19(36-28)14-24(42-4)27(34)25(30)21-13-20-31(40-21)32-18(35-20)8-9-43-32/h5-14,35H,1-4H3


key: InChI
value:
  InChI=1S/C20H17FN2OS4/c1-25-14-8-11-16-15(18(14)26-2)17-10(7-13(28-17)12-5-4-6-24-12)9-23(16)20(27-3)19(21)22-11/h4-8,23H,9H2,1-3H3


key: InChI
value:
  InChI=1S/C18H13FGeN2O2S2/c1-23-12-6-10-16(21-7-13(22-10)25-2)14(15(12)19)11-5-9-17(24-11)18-8(20-9)3-4-26-18/h3-7H,20H2,1-2H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1ccc(c2c(cco2)OC)s1)C	


key: InChI
value:
  InChI=1S/C44H37F2N3O5S3/c1-22-18-24(11-12-26(22)45)36-37(25-20-27(46)40(52-6)30(21-25)51-5)48-39-35(44(55-8)42(53-7)34(38(39)47-36)28-10-9-16-49(28)3)33-19-23(2)43(57-33)32-14-13-31(56-32)41-29(50-4)15-17-54-41/h9-21H,1-8H3


key: InChI
value:
  InChI=1S/C37H29F3N2O4/c1-16-12-21(8-10-23(16)38)32-33(22-9-11-25(43-6)17(2)13-22)42-34-24(41-32)14-26(44-7)30(39)29(34)37-31(40)28-20(5)35-27(18(3)15-45-35)19(4)36(28)46-37/h8-15H,1-7H3


key: InChI
value:
  InChI=1S/C32H25F2N3O2S/c1-18-28(40-4)16-24-32(29(18)27-13-12-26(39-27)25-15-21(38-3)17-37(25)2)36-30(19-8-6-5-7-9-19)31(35-24)20-10-11-22(33)23(34)14-20/h5-17H,1-4H3


key: InChI
value:
  InChI=1S/C18H13FGeN2S3Se/c1-23-17-18(24-2)22-14-9(5-8(19)6-12(14)21-17)13-7-11-15(25-13)16-10(20-11)3-4-26-16/h3-7H,20H2,1-2H3


key: InChI
value:
  InChI=1S/C19H15FN2OS3/c1-24-18-19(25-2)22-9-10-6-15(14-4-3-5-23-14)26-17(10)12-7-11(20)8-13(21-18)16(12)22/h3-8,22H,9H2,1-2H3


key: InChI
value:
  InChI=1S/C33H27F2N3O2S2/c1-18-27(42-5)16-23-31(28(18)33-25(39-3)17-24(40-33)32-26(41-4)13-14-38(32)2)37-29(19-9-7-6-8-10-19)30(36-23)20-11-12-21(34)22(35)15-20/h6-17H,1-5H3


key: InChI
value:
  InChI=1S/C35H24F5N3O3S2/c1-43-14-19(36)18-12-21-25(29(39)34(18)43)30(40)35(46-21)26-28(38)24(48-5)13-20-33(26)42-32(16-10-22(45-3)27(37)23(11-16)47-4)31(41-20)15-7-6-8-17(9-15)44-2/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C32H23F2N3O2S2Se2/c1-38-17-7-5-6-15(10-17)28-29(16-11-21(39-2)26(33)22(12-16)40-3)37-30-19(36-28)13-23(41-4)27(34)25(30)24-14-20-32(43-24)31-18(35-20)8-9-42-31/h5-14,35H,1-4H3


key: InChI
value:
  InChI=1S/C16H9F3N2S4/c1-22-15-16(23-2)21-11-7(3-6(17)4-9(11)20-15)12-10(19)14-13(25-12)8(18)5-24-14/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C34H29F2N3O3S2/c1-38-11-7-10-23(38)24-14-20-17-39-32(19-13-25(41-3)29(35)26(15-19)43-4)31(18-8-6-9-21(12-18)40-2)37-22-16-27(44-5)30(36)28(33(22)39)34(20)42-24/h6-16,39H,17H2,1-5H3


key: InChI
value:
  InChI=1S/C32H24F2N2O3S2SeSi/c1-37-17-7-5-6-15(10-17)28-29(16-11-19(38-2)26(33)20(12-16)40-3)36-30-18(35-28)13-21(41-4)27(34)25(30)22-14-24-32(42-22)31-23(43-24)8-9-39-31/h5-14H,43H2,1-4H3


key: InChI
value:
  InChI=1S/C32H24F2N2O2S3SeSi/c1-37-17-7-5-6-15(10-17)28-29(16-11-19(38-2)26(33)20(12-16)39-3)36-30-18(35-28)13-21(40-4)27(34)25(30)22-14-24-32(42-22)31-23(43-24)8-9-41-31/h5-14H,43H2,1-4H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(cc1)F)F)c1ccccc1)SC)C)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)c1c(C)c(SC)cc2c1nc(c1ccccc1)c(n2)c1ccc(c(c1)F)F	


key: InChI
value:
  InChI=1S/C48H35F3N2OS4/c1-24-14-29(17-32(15-24)54-4)42-34-21-39(58-47(34)43(40-25(2)23-57-48(40)42)30-16-31(49)20-33(18-30)55-5)41-26(3)38(56-6)22-37-46(41)53-44(27-10-8-7-9-11-27)45(52-37)28-12-13-35(50)36(51)19-28/h7-23H,1-6H3


key: InChI
value:
  InChI=1S/C19H18FN3OS3/c1-9-8-27-17-14(9)23(2)15(16(17)24-3)11-6-10(20)7-12-13(11)22-19(26-5)18(21-12)25-4/h6-8H,1-5H3


key: InChI
value:
  InChI=1S/C20H18FN3S4/c1-24-10-12(25-2)9-15(24)17-6-5-16(28-17)13-7-11(21)8-14-18(13)23-20(27-4)19(22-14)26-3/h5-10H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)SC)OC)OC)c1cc(c(c(c1)C)F)SC)c1c(cco1)OC)C)OC)c1c(c(c(n1C)c1c(c2c(c(cs2)F)s1)F)SC)C	


key: CAN_SMILES
value:
  COc1c(C)c(c2occc2OC)c2c(c1c1n(C)c(c(c1C)SC)c1sc3c(c1F)scc3F)nc(c(n2)c1cc(OC)c(c(c1)SC)OC)c1cc(C)c(c(c1)SC)F	


key: InChI
value:
  InChI=1S/C45H40F3N3O5S5/c1-19-14-22(16-27(57-9)31(19)47)33-34(23-15-26(53-6)40(55-8)28(17-23)58-10)49-35-29(41-25(52-5)12-13-56-41)20(2)39(54-7)30(36(35)50-33)37-21(3)42(59-11)38(51(37)4)44-32(48)45-43(61-44)24(46)18-60-45/h12-18H,1-11H3


key: InChI
value:
  InChI=1S/C33H27F2N3OS4/c1-38-17-21(40-3)16-24(38)25-11-12-26(43-25)29-22(35)9-10-23-32(29)37-30(18-7-6-8-20(34)13-18)31(36-23)19-14-27(41-4)33(39-2)28(15-19)42-5/h6-17H,1-5H3


key: InChI
value:
  InChI=1S/C31H22F4N2O2S5/c1-38-19-7-6-13(10-20(19)40-3)24-25(14-8-15(32)28(42-5)16(33)9-14)36-18-11-21(41-4)27(39-2)22(26(18)37-24)30-23(35)31-29(44-30)17(34)12-43-31/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C32H24F2N2O2S4/c1-37-32-26(40-3)13-18(14-27(32)41-4)30-29(17-6-5-7-19(33)12-17)36-31-22(35-30)9-8-21(34)28(31)25-11-10-24(42-25)23-15-20(39-2)16-38-23/h5-16H,1-4H3


key: InChI
value:
  InChI=1S/C18H16FN3O2S2/c1-22-12-5-6-24-15(12)16(23-2)14(22)10-7-9(19)8-11-13(10)21-18(26-4)17(20-11)25-3/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C31H23F3N4O2S2/c1-14-13-35-27-18(36-14)7-6-17(32)26(27)19-10-16-25(21-12-22(39-4)31(34)40-21)29-15(8-9-42-29)24(28(16)37(19)2)20-11-23(41-5)30(33)38(20)3/h6-13H,1-5H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1ccc(c2c(cco2)OC)s1)OC)F	


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3occ(c3F)SC)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)c1ccc(s1)c1occc1OC)OC)F	


key: InChI
value:
  InChI=1S/C43H33F4N3O4S5/c1-50-38(25-14-15-26(59-25)40-24(51-2)16-17-53-40)42(52-3)33(47)39(50)29-32(46)43(58-7)30(41-31(45)28(57-6)19-54-41)37-36(29)49-35(21-10-13-23(44)27(18-21)56-5)34(48-37)20-8-11-22(55-4)12-9-20/h8-19H,1-7H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1c(c2c(c(cs2)F)s1)F)OC)F	


key: InChI
value:
  InChI=1S/C40H27F6N3O2S6/c1-49-33(27(45)36(50-2)34(49)39-28(46)40-37(57-39)20(42)15-56-40)23-26(44)38(55-6)24(35-25(43)22(54-5)14-51-35)32-31(23)48-30(17-9-12-19(41)21(13-17)53-4)29(47-32)16-7-10-18(52-3)11-8-16/h7-15H,1-6H3


key: InChI
value:
  InChI=1S/C30H20F2N2OS5/c1-13-9-19(40-30(13)35-3)23-15-10-20(24-16(31)5-6-17-27(24)33-11-14(2)34-17)39-28(15)25(18-7-8-22(32)38-18)26-21(36-4)12-37-29(23)26/h5-12H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1[se]c2c3occc3[SiH2]c2c1)C	


key: CAN_SMILES
value:
  CSc1c(c2sc(c(c2)C)c2cc3c([se]2)c2c([SiH2]3)cco2)c2nc(c3cc(F)c(c(c3)OC)OC)c(nc2c(c1OC)c1cccn1C)c1ccc(c(c1)C)F	


key: InChI
value:
  InChI=1S/C43H35F2N3O4S2SeSi/c1-20-15-22(10-11-24(20)44)34-35(23-17-25(45)38(50-5)27(18-23)49-4)47-37-33(42(53-7)40(51-6)32(36(37)46-34)26-9-8-13-48(26)3)28-16-21(2)41(54-28)29-19-31-43(55-29)39-30(56-31)12-14-52-39/h8-19H,56H2,1-7H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1sc2c3[se]ccc3[GeH2]c2c1)OC)F	


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3occ(c3F)SC)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)c1sc2c(c1)[GeH2]c1c2[se]cc1)OC)F	


key: InChI
value:
  InChI=1S/C42H31F4GeN3O2S5Se/c1-50-36(25-16-23-40(57-25)42-22(47-23)13-14-58-42)39(51-2)31(46)37(50)27-30(45)41(56-6)28(38-29(44)26(55-5)17-52-38)35-34(27)49-33(19-9-12-21(43)24(15-19)54-4)32(48-35)18-7-10-20(53-3)11-8-18/h7-17H,47H2,1-6H3


key: InChI
value:
  InChI=1S/C33H27F2N3OS6/c1-14-24-26(20-10-16(34)15(2)44-20)33-27(21(40-5)13-43-33)25(19-8-9-23(42-7)45-19)32(24)38(3)31(14)28-29(35)18(39-4)11-17-30(28)36-12-22(37-17)41-6/h8-13H,1-7H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(co1)SC)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1sc2c(c(c3c(c2c2cc(c(cc2)OC)C)ccn3C)c2cc(c(c(c2)F)OC)F)c1SC)F	


key: CAN_SMILES
value:
  CSc1coc(c1)c1sc(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)ccn1C)F	


key: InChI
value:
  InChI=1S/C50H36F3NO7S4/c1-21-13-23(9-10-32(21)57-4)36-26-11-12-54(3)41(26)37(24-15-29(51)44(59-6)30(52)16-24)40-48(36)65-50(49(40)63-8)45-31(53)19-35(61-45)47-39-38(46(64-47)34-17-25(62-7)20-60-34)43(56)28-18-33(58-5)22(2)14-27(28)42(39)55/h9-20H,1-8H3


key: InChI
value:
  InChI=1S/C32H17F3O6S4/c1-10-7-39-28-17(10)29(38-3)30-21(22(28)34)23(35)31(41-30)32-16(42-4)6-15(45-32)27-19-20(26(40-27)14-5-12(33)8-44-14)25(37)18-11(2)43-9-13(18)24(19)36/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C35H23F2NO6S4/c1-38-20-10-18-19(37)13-47-32(18)35(46-5)24(20)34(45-4)27(38)33-22(42-3)11-23(48-33)31-26-25(30(44-31)21-8-14(36)12-43-21)28(39)16-7-6-15(41-2)9-17(16)29(26)40/h6-13H,1-5H3


key: InChI
value:
  InChI=1S/C20H17FN2S6/c1-24-13-8-10-16(23-20(27-4)19(21)22-10)15(18(13)26-3)12-9-14(25-2)17(29-12)11-6-5-7-28-11/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C22H15F3N2O3S2/c1-8-7-29-18-12(8)19(28-2)20-13(15(18)25)14(24)17(30-20)10-5-9(23)6-11-16(10)27-22(32-4)21(26-11)31-3/h5-7H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1oc2c(c(c3c(c2)c(cn3C)F)F)c1F)OC)F	


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3occ(c3F)SC)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)c1oc2c(c1F)c(F)c1c(c2)c(F)cn1C)OC)F	


key: InChI
value:
  InChI=1S/C45H31F7N4O3S4/c1-55-16-23(47)21-15-24-27(31(49)39(21)55)32(50)44(59-24)41-43(57-3)34(52)40(56(41)2)28-33(51)45(63-7)29(42-30(48)26(62-6)17-58-42)38-37(28)54-36(19-10-13-22(46)25(14-19)61-5)35(53-38)18-8-11-20(60-4)12-9-18/h8-17H,1-7H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1c(c2c(c(cn2C)C)s1)SC)OC)F	


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3occ(c3F)SC)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)c1sc2c(c1SC)n(cc2C)C)OC)F	


key: InChI
value:
  InChI=1S/C43H36F4N4O2S6/c1-19-17-50(2)37-40(19)59-43(42(37)58-9)36-39(52-4)30(47)35(51(36)3)26-29(46)41(57-8)27(38-28(45)25(56-7)18-53-38)34-33(26)49-32(21-12-15-23(44)24(16-21)55-6)31(48-34)20-10-13-22(54-5)14-11-20/h10-18H,1-9H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1[se]c2c3[se]ccc3[nH]c2c1)OC)F	


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3occ(c3F)SC)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)c1[se]c2c(c1)[nH]c1c2[se]cc1)OC)F	


key: InChI
value:
  InChI=1S/C42H30F4N4O2S4Se2/c1-50-36(26-16-23-42(58-26)41-22(47-23)13-14-57-41)39(51-2)31(46)37(50)27-30(45)40(56-6)28(38-29(44)25(55-5)17-52-38)35-34(27)49-33(19-9-12-21(43)24(15-19)54-4)32(48-35)18-7-10-20(53-3)11-8-18/h7-17,47H,1-6H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)F)C)c1cc(cc(c1)OC)SC)c1c(c(cn1C)OC)SC)SC)SC)c1ccc(o1)c1cc2c(c3c(c(co3)SC)o2)n1C	


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3cc4c(n3C)c3c(o4)c(co3)SC)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


key: InChI
value:
  InChI=1S/C47H43FN4O5S5/c1-22-14-24(15-23(2)36(22)48)37-38(25-16-26(53-5)18-27(17-25)58-7)49-39-34(46(61-10)47(62-11)35(40(39)50-37)42-45(60-9)32(54-6)20-51(42)3)30-13-12-29(56-30)28-19-31-41(52(28)4)44-43(57-31)33(59-8)21-55-44/h12-21H,1-11H3


key: InChI
value:
  InChI=1S/C17H15FN4S2/c1-21-9-11(23-3)8-14(21)16-5-4-15(24-16)12-6-10(18)7-13-17(12)20-22(2)19-13/h4-9H,1-3H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC)C	


key: CAN_SMILES
value:
  COc1c(F)cc(cc1OC)c1nc2c(c3cc(c(s3)c3n(C)c4c(c3OC)c(c3cc(F)c(c(c3)OC)SC)c3c(c4c4ccc(c(c4)C)C)c(SC)cs3)C)c(SC)c(c(c2nc1c1ccc(c(c1)C)F)c1cccn1C)OC	


key: InChI
value:
  InChI=1S/C64H57F3N4O5S5/c1-30-17-18-34(22-31(30)2)46-49-45(77-12)29-80-63(49)47(36-25-40(67)62(78-13)43(27-36)73-8)51-56(46)71(6)57(59(51)75-10)61-33(4)24-44(81-61)50-55-54(48(41-16-15-21-70(41)5)60(76-11)64(50)79-14)68-52(35-19-20-38(65)32(3)23-35)53(69-55)37-26-39(66)58(74-9)42(28-37)72-7/h15-29H,1-14H3


key: InChI
value:
  InChI=1S/C17H11FN2OSeSi/c1-8-7-19-15-10(20-8)3-2-9(18)14(15)11-6-13-17(22-11)16-12(23-13)4-5-21-16/h2-7H,23H2,1H3


key: InChI
value:
  InChI=1S/C15H9FN4OSe/c1-20-18-10-5-7(16)4-8(13(10)19-20)12-6-11-14(21-12)15-9(17-11)2-3-22-15/h2-6,17H,1H3


key: InChI
value:
  InChI=1S/C31H27F2N3O3S4/c1-14-12-16(39-27(14)31-17(40-5)8-11-43-31)26-28(37-4)15(2)25(36(26)3)19-21(32)22(33)20(24-23(19)34-9-10-35-24)29-30(42-7)18(41-6)13-38-29/h8-13H,1-7H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1c(c2c(c(cs2)C)n1C)OC)OC)F	


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3occ(c3F)SC)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1n(C)c(c(c1F)OC)c1c(OC)c2c(n1C)c(cs2)C)F	


key: InChI
value:
  InChI=1S/C43H36F4N4O3S5/c1-19-18-59-43-35(19)50(2)38(41(43)53-5)37-40(52-4)30(47)36(51(37)3)26-29(46)42(58-9)27(39-28(45)25(57-8)17-54-39)34-33(26)49-32(21-12-15-23(44)24(16-21)56-7)31(48-34)20-10-13-22(55-6)14-11-20/h10-18H,1-9H3


key: InChI
value:
  InChI=1S/C31H22F2N2O2S2/c1-17-26(38-3)16-22-30(27(17)24-11-12-25(39-24)31-23(36-2)13-14-37-31)35-28(18-7-5-4-6-8-18)29(34-22)19-9-10-20(32)21(33)15-19/h4-16H,1-3H3


key: InChI
value:
  InChI=1S/C34H28F2N2O3S2/c1-17-11-12-42-33(17)27-16-26(41-6)34(43-27)28-29(36)25(40-5)15-23-32(28)38-31(21-8-10-24(39-4)19(3)14-21)30(37-23)20-7-9-22(35)18(2)13-20/h7-16H,1-6H3


key: InChI
value:
  InChI=1S/C21H20FN3O2S3/c1-25-10-11(26-2)8-13(25)14-6-7-15(27-14)17-18-12(9-16(28-3)19(17)29-4)23-20(22)21(24-18)30-5/h6-10H,1-5H3


key: InChI
value:
  InChI=1S/C26H10F2O5SSe2Si/c27-10-6-11(34-24(10)13-7-15-25(36-13)23-14(37-15)3-4-31-23)21-18-17(22(33-21)12-2-1-5-35-12)19(29)9-8-32-26(28)16(9)20(18)30/h1-8H,37H2


key: InChI
value:
  InChI=1S/C33H23F2N3O3S5SeSi/c1-38-13(15-9-17-33(47-15)26-16(48-17)6-7-40-26)8-14-24(38)31(44-5)30(46-14)19-21(35)29(43-4)20(23-22(19)36-10-18(37-23)42-3)27-28(39-2)32-25(41-27)12(34)11-45-32/h6-11H,48H2,1-5H3


key: InChI
value:
  InChI=1S/C36H30FN3O4S6/c1-15-28-31(24(47-7)14-40(28)3)44-29(15)17-11-22(46-6)25(27-26(17)39-36(37)16(2)38-27)18-13-23-32(42-18)35(48-8)33(50-23)20-12-19(41-4)30(43-20)34-21(45-5)9-10-49-34/h9-14H,1-8H3


key: InChI
value:
  InChI=1S/C34H28FN3OS3/c1-17-9-20(12-23(10-17)39-5)30-25-15-27(28-18(2)7-8-26-32(28)37-38(4)36-26)42-33(25)31(29-19(3)16-41-34(29)30)21-11-22(35)14-24(13-21)40-6/h7-16H,1-6H3


key: InChI
value:
  InChI=1S/C32H32F2N4OS5/c1-13-11-37(5)25-27(13)44-31(30(25)42-10)24-26(39-7)15(3)23(38(24)6)18-14(2)28(41-9)19(29-20(33)17(40-8)12-43-29)22-21(18)35-16(4)32(34)36-22/h11-12H,1-10H3


key: InChI
value:
  InChI=1S/C34H22F5N3O2S2/c1-42-14-20(37)18-13-22-26(27(38)32(18)42)28(39)34(44-22)25-19(36)8-9-21-31(25)41-29(15-6-5-7-17(35)10-15)30(40-21)16-11-23(45-3)33(43-2)24(12-16)46-4/h5-14H,1-4H3


key: InChI
value:
  InChI=1S/C17H15N3O2S/c1-3-10-9-14(12-5-4-8-20(12)2)22-17(10)15-13(21)7-6-11-16(15)19-23-18-11/h4-9,21H,3H2,1-2H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1[se]c2c3sccc3[SiH2]c2c1)OC)F	


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3occ(c3F)SC)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)c1[se]c2c(c1)[SiH2]c1c2scc1)OC)F	


key: InChI
value:
  InChI=1S/C42H31F4N3O2S5SeSi/c1-49-36(24-16-26-42(57-24)40-25(58-26)13-14-56-40)39(50-2)31(46)37(49)27-30(45)41(55-6)28(38-29(44)23(54-5)17-51-38)35-34(27)48-33(19-9-12-21(43)22(15-19)53-4)32(47-35)18-7-10-20(52-3)11-8-18/h7-17H,58H2,1-6H3


key: InChI
value:
  InChI=1S/C32H29FN2O4S4/c1-14-13-38-29(30(14)41-8)22-25-24(35-32(37-6)17(4)34-25)21(15(2)26(22)36-5)27-16(3)23(33)28(39-27)19-12-20(40-7)31(43-19)18-10-9-11-42-18/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C31H27F2N3O4S4/c1-14-25(36(2)26(27(14)38-4)15-12-16(37-3)28(40-15)31-17(41-5)8-11-44-31)19-21(32)22(33)20(24-23(19)34-9-10-35-24)29-30(43-7)18(42-6)13-39-29/h8-13H,1-7H3


key: InChI
value:
  InChI=1S/C30H28F2N4O3S3/c1-13-12-42-30-22(13)35(3)25(28(30)38-6)24-26(37-5)14(2)23(36(24)4)16-18(31)19(32)17(21-20(16)33-9-10-34-21)27-29(41-8)15(40-7)11-39-27/h9-12H,1-8H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)F)C)c1c(c2c(o1)c(cn2C)SC)C)SC)c1cc2c(o1)c(c(s2)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F)SC	


key: CAN_SMILES
value:
  CSc1c(SC)cc(n1C)c1c2c(C)coc2c(c2c1n(C)c(c2F)c1sc2c(c1SC)oc(c2)c1c(SC)cc(c2c1nc(C)c(n2)F)c1oc2c(c1C)n(cc2SC)C)c1cc(c(s1)C)C	


key: InChI
value:
  InChI=1S/C51H45F2N5O3S7/c1-20-14-29(67-24(20)5)36-37-38(52)43(58(8)42(37)34(33-21(2)19-59-47(33)36)26-16-31(63-10)51(66-13)57(26)7)48-49(65-12)46-30(68-48)17-27(60-46)35-28(62-9)15-25(39-40(35)54-23(4)50(53)55-39)44-22(3)41-45(61-44)32(64-11)18-56(41)6/h14-19H,1-13H3


key: InChI
value:
  InChI=1S/C31H27F2GeN3OS4Se/c1-12-19(22-23(36-31(33)14(3)35-22)20(27(12)40-7)29-21(32)18(39-6)11-41-29)24-13(2)26(38-5)25(37(24)4)17-10-16-28(42-17)30-15(34-16)8-9-43-30/h8-11H,34H2,1-7H3


key: InChI
value:
  InChI=1S/C36H32F3N3O3S3/c1-13-11-44-30-15(3)21-25(38)33(45-31(21)14(2)20(13)30)29-32(43-8)17(5)28(42(29)7)22-16(4)34(47-10)23(35-24(37)19(46-9)12-48-35)27-26(22)40-18(6)36(39)41-27/h11-12H,1-10H3


key: InChI
value:
  InChI=1S/C30H23F4N3O3S4/c1-12-30(34)36-21-17(28(41-5)29(42-6)18(22(21)35-12)27-25(39-4)13(31)11-43-27)24-20(33)19(32)23(37(24)2)15-7-8-16(44-15)26-14(38-3)9-10-40-26/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C35H26F2N4O4S6/c1-40-14(8-16-25(40)30-28(44-16)18(46-4)11-43-30)15-9-17-26(41(15)2)34(49-7)33(51-17)20-22(37)32(48-6)21(24-23(20)38-10-19(39-24)47-5)29-31(42-3)35-27(45-29)13(36)12-50-35/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C32H29FN2O5S2/c1-14-12-19(20-10-9-11-42-20)39-26(14)30-23(33)17(4)28(40-30)21-16(3)27(36-6)22(29-31(41-8)15(2)13-38-29)25-24(21)35-32(37-7)18(5)34-25/h9-13H,1-8H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)F)C)c1c(c2c(o1)c(cn2C)SC)C)SC)c1cc2c(o1)c(c(s2)c1sc2c(c(c3c(c2OC)c(cn3C)C)OC)c1C)SC	


key: InChI
value:
  InChI=1S/C41H37FN4O4S5/c1-16-14-45(5)31-25(16)36(48-8)38-26(35(31)47-7)17(2)37(55-38)40-39(53-11)34-23(54-40)13-21(49-34)27-22(51-9)12-20(28-29(27)43-19(4)41(42)44-28)32-18(3)30-33(50-32)24(52-10)15-46(30)6/h12-15H,1-11H3


key: InChI
value:
  InChI=1S/C28H14F2O6S3Se/c1-33-13-9-14(35-23(13)27-15(37-2)5-6-38-27)26-12(29)8-16(39-26)24-20-19(25(36-24)17-4-3-7-40-17)21(31)11-10-34-28(30)18(11)22(20)32/h3-10H,1-2H3


key: InChI
value:
  InChI=1S/C30H26F3N3O6S3/c1-11-30(40-6)35-18-14(23-26(43-7)12(31)9-41-23)16(32)22(38-4)15(19(18)34-11)27-29(44-8)17(33)28(45-27)21-24(39-5)25-20(36(21)2)13(37-3)10-42-25/h9-10H,1-8H3


key: InChI
value:
  InChI=1S/C32H29F2N3O2S4/c1-14-12-19(18-10-9-11-39-18)43-29(14)27-28(38-6)16(3)26(37(27)5)21-15(2)30(41-8)22(31-23(33)20(40-7)13-42-31)25-24(21)35-17(4)32(34)36-25/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C32H29FN2O5S3/c1-14-12-39-30(31(14)42-8)23-26-25(35-32(37-6)17(4)34-26)22(15(2)27(23)36-5)28-16(3)24(33)29(40-28)21-10-9-20(43-21)19-11-18(41-7)13-38-19/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C38H33F2N3O2S3/c1-18-9-10-21(13-19(18)2)28-31-27(46-7)17-48-38(31)29(22-14-24(40)37(47-8)26(15-22)44-5)32-34(28)43(4)35(36(32)45-6)30-23(39)11-12-25-33(30)41-16-20(3)42-25/h9-17H,1-8H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(c[se]1)SC)C(=O)c1c(oc(c1C2=O)C)SC)c1cc(c(o1)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1)C	


key: CAN_SMILES
value:
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key: InChI
value:
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key: InChI
value:
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key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1ccc(c2cc(cn2C)SC)s1)C	


key: CAN_SMILES
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
  InChI=1S/C34H34FN3O4S3/c1-15-13-21(27-20(43-9)11-12-38(27)6)45-33(15)31-24(35)18(4)29(42-31)22-17(3)28(39-7)23(30-32(44-10)16(2)14-41-30)26-25(22)37-34(40-8)19(5)36-26/h11-14H,1-10H3


key: InChI
value:
  InChI=1S/C30H23F3N2O3S6/c1-12-30(37-3)35-21-17(24-25(40-5)13(31)11-38-24)19(32)23(36-2)18(22(21)34-12)28-29(41-6)20(33)27(44-28)16-10-15(39-4)26(43-16)14-8-7-9-42-14/h7-11H,1-6H3


key: InChI
value:
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key: InChI
value:
  InChI=1S/C36H32F4N4O3S4/c1-13-11-43(4)26-17(13)30(47-8)33-18(29(26)46-7)14(2)31(51-33)27-22(39)21(38)25(44(27)5)19-23-24(41-15(3)36(40)42-23)20(35(49-10)34(19)48-9)32-28(45-6)16(37)12-50-32/h11-12H,1-10H3


key: InChI
value:
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key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)OC)c1c(c(co1)C)SC)OC)C)c1c(c(c(o1)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)c(co3)OC)c2cc(c(c(c2)F)C)F)c1SC)F)C	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C51H45F3N2O7S2/c1-20-14-28(15-21(2)23(20)4)34-36-32(57-9)19-61-44(36)35(29-16-30(52)24(5)31(53)17-29)37-45(34)63-48(50(37)65-13)47-39(54)26(7)43(62-47)33-25(6)42(58-10)38(46-49(64-12)22(3)18-60-46)41-40(33)56-51(59-11)27(8)55-41/h14-19H,1-13H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1oc2c(c(c3c(c2OC)c(co3)C)F)c1F)C)C	


key: InChI
value:
  InChI=1S/C36H26F3N3O7S2/c1-11-9-45-29-16(11)30(43-6)32-18(20(29)38)21(39)33(49-32)25-14(4)27-24(42(25)5)13(3)26(47-27)19-23-22(40-51-41-23)17(12(2)36(19)50-8)31-34(44-7)35-28(48-31)15(37)10-46-35/h9-10H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(cs2)F)C)F)C)c1c(c2c(cc(s2)c2oc3c(c(c4c(c3c3cc(c(c(c3)C)F)F)c(cs4)OC)c3ccc(cc3)C)c2C)n1C)OC	


key: CAN_SMILES
value:
  COc1c2sc(cc2n(c1c1c(C)c(F)c(c2c1nsn2)c1oc2c(c1C)scc2F)C)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1	


key: InChI
value:
  InChI=1S/C48H33F4N3O4S4/c1-18-9-11-23(12-10-18)33-30-21(4)41(58-44(30)32(34-28(56-7)17-61-48(33)34)24-13-19(2)36(51)25(49)14-24)29-15-27-47(62-29)45(57-8)40(55(27)6)31-20(3)37(52)35(39-38(31)53-63-54-39)42-22(5)46-43(59-42)26(50)16-60-46/h9-17H,1-8H3


key: InChI
value:
  InChI=1S/C35H33F2N7O3S2/c1-16-13-20(19-11-10-12-40(19)2)46-31(16)28-23(37)33-30(43(28)5)35(49-9)32(47-33)17-14-18(36)22(25-24(17)38-44(6)39-25)27-34(48-8)29-26(42(27)4)21(45-7)15-41(29)3/h10-15H,1-9H3


key: InChI
value:
  InChI=1S/C36H35F2N7O4S3/c1-41-12-11-21(50-8)26(41)18-14-19(46-6)33(48-18)29-23(38)34-31(44(29)4)36(52-10)32(49-34)16-13-17(37)22(25-24(16)39-45(5)40-25)28-35(51-9)30-27(43(28)3)20(47-7)15-42(30)2/h11-15H,1-10H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(c(cn2C)SC)n1C)SC)C)F)c1c(c2c(s1)c(c(o2)c1sc2c3[se]ccc3[GeH2]c2c1)C)SC	


key: InChI
value:
  InChI=1S/C34H30FGeN5OS5Se/c1-13-19(25-32(44-7)26-24(40(25)4)18(43-6)12-39(26)3)22-23(38-41(5)37-22)20(21(13)35)31-33(45-8)28-29(47-31)14(2)27(42-28)17-11-16-30(46-17)34-15(36-16)9-10-48-34/h9-12H,36H2,1-8H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)F)C)F)c1cc(c(c(c1)OC)C)OC)c1c(c2c(s1)c(cs2)C)OC)OC)OC)c1cc2c(s1)c(c(n2C)c1ccc(c2c(cco2)OC)s1)F	


key: CAN_SMILES
value:
  COc1c(OC)c(c2c(c1c1cc3c(s1)c(c(n3C)c1ccc(s1)c1occc1OC)F)nc(c(n2)c1cc(F)c(c(c1)F)C)c1cc(OC)c(c(c1)OC)C)c1sc2c(c1OC)scc2C	


key: InChI
value:
  InChI=1S/C50H40F3N3O7S4/c1-21-20-64-50-46(62-10)49(67-47(21)50)36-41-40(54-39(25-17-30(58-6)23(3)31(18-25)59-7)38(55-41)24-15-26(51)22(2)27(52)16-24)35(44(60-8)45(36)61-9)34-19-28-48(66-34)37(53)42(56(28)4)32-11-12-33(65-32)43-29(57-5)13-14-63-43/h11-20H,1-10H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)OC)C)c1cc(cc(c1)C)C)c1c(c2c(c(cs2)SC)n1C)F)C)SC)c1cc2c(s1)c(c(n2C)c1c(c2c(c3c(c(co3)F)o2)s1)SC)F	


key: CAN_SMILES
value:
  CSc1c(c2sc3c(c2)n(c(c3F)c2sc3c(c2SC)oc2c3occ2F)C)c2nc(c3cc(C)cc(c3)C)c(nc2c(c1C)c1c(F)c2c(n1C)c(cs2)SC)c1ccc(c(c1)OC)C	


key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
  COc1c(OC)c(c2c(c1c1cc3c(s1)c(c(n3C)c1sc(c(c1)SC)c1cccs1)F)nc(c(n2)c1cc(F)c(c(c1)F)C)c1cc(OC)c(c(c1)OC)C)c1sc2c(c1OC)scc2C	


key: InChI
value:
  InChI=1S/C50H40F3N3O5S6/c1-21-20-64-50-45(61-9)49(67-46(21)50)36-41-40(54-39(25-16-29(57-5)23(3)30(17-25)58-6)38(55-41)24-14-26(51)22(2)27(52)15-24)35(43(59-7)44(36)60-8)32-18-28-47(65-32)37(53)42(56(28)4)33-19-34(62-10)48(66-33)31-12-11-13-63-31/h11-20H,1-10H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(c(cn2C)SC)n1C)SC)C)F)c1c(c2c(s1)c(c(o2)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)ccs3)c1cc(c(o1)F)OC)C)SC	


key: CAN_SMILES
value:
  COc1cc(oc1F)c1c2sccc2c(c2c1cc(n2C)c1oc2c(c1C)sc(c2SC)c1c(F)c(C)c(c2c1nn(n2)C)c1n(C)c2c(c1SC)n(cc2SC)C)c1cc(c(n1C)F)SC	


key: InChI
value:
  InChI=1S/C48H42F3N7O3S6/c1-19-29(38-45(64-11)39-37(57(38)6)28(63-10)18-54(39)3)34-35(53-58(7)52-34)32(33(19)49)44-46(65-12)41-42(67-44)20(2)40(61-41)24-15-22-31(25-17-26(59-8)48(51)60-25)43-21(13-14-66-43)30(36(22)55(24)4)23-16-27(62-9)47(50)56(23)5/h13-18H,1-12H3


key: InChI
value:
  InChI=1S/C16H9FN2O3S3/c1-20-8-4-3-7-10(19-25-18-7)9(8)14-16(23-2)13-15(24-14)12-11(22-13)6(17)5-21-12/h3-5H,1-2H3


key: InChI
value:
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key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cc(cc(c1)C)F)c1c(c2c(s1)c(cs2)F)F)SC)OC)c1c(c2c(c(c(s2)c2oc3c4sccc4[nH]c3c2)F)n1C)F	


key: CAN_SMILES
value:
  COc1c(SC)c(c2c(c1c1n(C)c3c(c1F)sc(c3F)c1cc3c(o1)c1c([nH]3)ccs1)nc(c(n2)c1cc(OC)c(c(c1)SC)F)c1cc(C)cc(c1)F)c1sc2c(c1F)scc2F	


key: InChI
value:
  InChI=1S/C46H28F6N4O3S6/c1-16-9-17(11-19(47)10-16)32-33(18-12-23(57-3)28(49)25(13-18)60-5)55-35-27(43-31(52)46-40(64-43)20(48)15-63-46)44(61-6)39(58-4)26(34(35)54-32)36-29(50)45-37(56(36)2)30(51)42(65-45)24-14-22-38(59-24)41-21(53-22)7-8-62-41/h7-15,53H,1-6H3


key: SMILES
value:
  c1(c(c(c(c2c1ncc(n2)SC)c1c(c2c(c(co2)OC)n1C)C)C)OC)c1cc2c(s1)c(c(n2C)c1oc2c(c(c3c(c2C)c(co3)C)C)c1F)C	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1sc2c(c1)n(c(c2C)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1)C)OC)C)c1c(C)c2c(n1C)c(co2)OC	


key: InChI
value:
  InChI=1S/C41H37FN4O5S2/c1-16-14-49-37-18(3)27-30(42)40(51-38(27)17(2)26(16)37)34-21(6)41-22(45(34)7)12-24(53-41)29-31-32(44-25(52-11)13-43-31)28(19(4)36(29)48-10)33-20(5)39-35(46(33)8)23(47-9)15-50-39/h12-15H,1-11H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cc(cc(c1)C)F)c1c(c2c(s1)c(cs2)F)F)SC)OC)c1c(c2c(c(c(s2)c2ccc(c3cc(cn3C)SC)s2)F)n1C)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C48H34F6N4O2S7/c1-19-11-20(13-22(49)12-19)36-37(21-14-26(59-4)32(51)29(15-21)62-7)56-39-31(45-35(54)48-43(66-45)24(50)18-64-48)46(63-8)42(60-5)30(38(39)55-36)40-33(52)47-41(58(40)3)34(53)44(67-47)28-10-9-27(65-28)25-16-23(61-6)17-57(25)2/h9-18H,1-8H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C53H51FN6O4S5/c1-22-16-31(68-27(22)6)38-40-41(54)48(60(10)47(40)37(35-23(2)20-63-51(35)38)28-17-33(65-13)53(67-15)58(28)8)45-26(5)52-29(57(45)7)18-32(69-52)39-42-43(56-34(66-14)19-55-42)36(24(3)49(39)62-12)44-25(4)50-46(59(44)9)30(61-11)21-64-50/h16-21H,1-15H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C45H31F3N2O7S4/c1-18-10-21-22(13-27(18)53-4)39(52)35-36(38(21)51)43(61-42(35)29-11-19(58-6)17-55-29)30-14-24(46)40(56-30)26-12-23-34(28-16-31(54-5)45(48)57-28)41-20(8-9-60-41)33(37(23)49(26)2)25-15-32(59-7)44(47)50(25)3/h8-17H,1-7H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)c1cc(c(s1)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(cs3)OC)c2ccc(cc2)C)c1C)OC	


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1cc(c(s1)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1)OC)c1occ(c1)F	


key: InChI
value:
  InChI=1S/C48H31F3O8S2/c1-20-7-9-23(10-8-20)36-34-22(3)43(58-46(34)35(37-32(56-6)19-60-48(36)37)24-13-21(2)40(51)29(50)14-24)47-31(55-5)17-33(61-47)45-39-38(44(59-45)30-15-25(49)18-57-30)41(52)27-12-11-26(54-4)16-28(27)42(39)53/h7-19H,1-6H3


key: InChI
value:
  InChI=1S/C27H22FN3O2S3SeSi/c1-11-8-13(24-19(28)14(34-4)10-33-24)20-21(30-36-29-20)18(11)23-26(35-5)12(2)22(31(23)3)15-9-17-27(37-15)25-16(38-17)6-7-32-25/h6-10H,38H2,1-5H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(co1)SC)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F)F	


key: CAN_SMILES
value:
  CSc1coc(c1)c1sc(c2c1C(=O)c1cc(OC)c(cc1C2=O)C)c1oc(c(c1)F)c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)occ1C	


key: InChI
value:
  InChI=1S/C48H38F2N2O6S5/c1-19-12-31(62-22(19)4)35-36-39(50)41(52(6)40(36)34(33-21(3)17-57-45(33)35)27-16-32(60-9)48(61-10)51(27)5)44-26(49)15-30(58-44)47-38-37(46(63-47)29-13-23(59-8)18-56-29)43(54)25-14-28(55-7)20(2)11-24(25)42(38)53/h11-18H,1-10H3


key: InChI
value:
  InChI=1S/C28H24F2N4O5S2/c1-33-11-13(35-3)9-17(33)18-7-8-19(38-18)23-25(36-4)26(37-5)24(39-23)20-15(29)10-14(21-22(20)32-34(2)31-21)27-28(40-6)16(30)12-41-27/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C29H19F4N3O3S5/c1-36-14-6-10-12(31)8-43-25(10)29(42-5)16(14)27(41-4)22(36)15-7-11(30)23(38-15)17-19(33)26(40-3)18(21-20(17)34-39-35-21)28-24(37-2)13(32)9-44-28/h6-9H,1-5H3


key: InChI
value:
  InChI=1S/C26H17F3N2O4S4/c1-10-5-6-37-23(10)15-8-13(32-2)24(39-15)14-7-11(27)21(34-14)16-18(29)25(36-4)17(20-19(16)30-35-31-20)26-22(33-3)12(28)9-38-26/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C25H18F3N3O3S4/c1-9-7-31(2)18-21(9)38-22(25(18)36-5)12-6-10(26)19(33-12)13-15(28)23(35-4)14(17-16(13)29-34-30-17)24-20(32-3)11(27)8-37-24/h6-8H,1-5H3


key: InChI
value:
  InChI=1S/C26H19F2N3O3S3SeSi/c1-31-29-17-10(23-24(35-4)12(28)9-37-23)7-11(27)16(18(17)30-31)20-22(33-3)21(32-2)19(34-20)13-8-15-26(38-13)25-14(39-15)5-6-36-25/h5-9H,39H2,1-4H3


key: InChI
value:
  InChI=1S/C27H18F3N3O3S5/c1-9-21(14-11(28)6-10(15-16(14)32-36-31-15)17-23(38-4)12(29)7-33(17)2)40-26(22(9)37-3)27-25(39-5)20-24(41-27)19-18(35-20)13(30)8-34-19/h6-8H,1-5H3


key: InChI
value:
  InChI=1S/C32H21F3N2O3S2/c1-14-9-16(5-7-18(14)33)27-28(17-6-8-21(38-3)15(2)10-17)37-29-20(36-27)11-22(39-4)26(35)25(29)23-12-24-32(41-23)30-31(42-24)19(34)13-40-30/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C33H30F2N4O5S3/c1-13-11-38(3)23-18(13)26(41-6)33-19(24(23)40-5)14(2)30(47-33)29-28(43-8)27(42-7)25(44-29)20-16(34)10-15(21-22(20)37-39(4)36-21)31-32(45-9)17(35)12-46-31/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C33H26F2N2O3S3/c1-38-20-8-5-7-17(11-20)30-31(18-12-23(39-2)28(34)25(14-18)41-3)37-16-19-13-22(24-9-6-10-43-24)40-33(19)27-29(35)26(42-4)15-21(36-30)32(27)37/h5-15,37H,16H2,1-4H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)c1cc(c(s1)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)ccs3)c2cc(c(F)n2C)OC)c1OC)OC	


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1cc(c(s1)c1oc2c(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)ccs1)OC)c1occ(c1)F	


key: InChI
value:
  InChI=1S/C45H31F2NO10S3/c1-18-29(59-7)15-25(56-18)31-22-10-11-60-43(22)32(24-14-28(53-5)45(47)48(24)2)35-40(31)58-42(41(35)54-6)44-27(52-4)16-30(61-44)39-34-33(38(57-39)26-12-19(46)17-55-26)36(49)21-9-8-20(51-3)13-23(21)37(34)50/h8-17H,1-7H3


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1sc2c(c(c3c(c2c2cc(c(cc2)OC)C)ccn3C)c2cc(c(c(c2)F)OC)F)c1SC)F	


key: CAN_SMILES
value:
  COc1ccc(cc1C)c1c2sc(c(c2c(c2c1ccn2C)c1cc(F)c(c(c1)F)OC)SC)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F	


key: InChI
value:
  InChI=1S/C43H30F5N3O5S4/c1-17-12-18(8-9-25(17)52-3)27-20-10-11-51(2)35(20)28(19-13-21(44)36(53-4)22(45)14-19)29-40(27)60-39(43(29)58-7)26-15-23(46)37(55-26)30-32(48)41(57-6)31(34-33(30)49-56-50-34)42-38(54-5)24(47)16-59-42/h8-16H,1-7H3


key: SMILES
value:
  c1(c2c(c([se]1)c1cc(c[se]1)F)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(s1)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)ccs3)c2cc(c(F)n2C)OC)c1OC)F	


key: CAN_SMILES
value:
  COc1cc2C(=O)c3c([se]c(c3C(=O)c2cc1C)c1cc(c(s1)c1oc2c(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)ccs1)F)c1[se]cc(c1)F	


key: InChI
value:
  InChI=1S/C45H30F3NO7S3Se2/c1-17-10-21-22(12-25(17)52-4)37(51)34-33(36(21)50)43(61-44(34)30-11-19(46)16-60-30)29-13-23(47)42(59-29)40-39(54-6)35-32(24-14-27(53-5)45(48)49(24)3)41-20(8-9-58-41)31(38(35)56-40)26-15-28(57-7)18(2)55-26/h8-16H,1-7H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cs1)F)SC)F)c1c(c(c(o1)c1sc2c(c(c3c(c2c2cc(c(cc2)OC)C)ccn3C)c2cc(c(c(c2)F)OC)F)c1SC)OC)OC	


key: CAN_SMILES
value:
  COc1c(oc(c1OC)c1c(F)cc(c2c1nn(n2)C)c1scc(c1SC)F)c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)ccn1C	


key: InChI
value:
  InChI=1S/C45H36F4N4O5S4/c1-19-14-20(10-11-28(19)54-4)29-22-12-13-52(2)35(22)30(21-15-25(47)36(55-5)26(48)16-21)32-43(29)62-45(44(32)60-9)40-39(57-7)38(56-6)37(58-40)31-24(46)17-23(33-34(31)51-53(3)50-33)41-42(59-8)27(49)18-61-41/h10-18H,1-9H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cs1)F)SC)F)c1c(c(c(o1)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F)OC)OC	


key: CAN_SMILES
value:
  COc1c(OC)c(oc1c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)occ1C)c1c(F)cc(c2c1nn(n2)C)c1scc(c1SC)F	


key: InChI
value:
  InChI=1S/C43H38F3N5O4S5/c1-17-12-24(60-19(17)3)29-30-31(46)35(50(5)34(30)28(26-18(2)15-54-36(26)29)23-14-25(56-9)43(58-11)49(23)4)38-40(53-8)39(52-7)37(55-38)27-21(44)13-20(32-33(27)48-51(6)47-32)41-42(57-10)22(45)16-59-41/h12-16H,1-11H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1ccc(c2cc(cn2C)OC)o1)C	


key: CAN_SMILES
value:
  COc1cn(c(c1)c1ccc(o1)c1sc(cc1C)c1c(SC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)OC)OC)c(n2)c1ccc(c(c1)C)F)c1cccn1C)C	


key: InChI
value:
  InChI=1S/C45H40F2N4O5S2/c1-23-17-25(12-13-28(23)46)38-39(26-19-29(47)42(54-7)34(20-26)53-6)49-41-37(45(57-9)43(55-8)36(40(41)48-38)30-11-10-16-50(30)3)35-18-24(2)44(58-35)33-15-14-32(56-33)31-21-27(52-5)22-51(31)4/h10-22H,1-9H3


key: InChI
value:
  InChI=1S/C22H16F3N3O3S/c1-28-8-10(23)9-7-13-14(16(24)19(9)28)17(25)20(31-13)15-12(29-2)6-5-11-18(15)27-22(32-4)21(26-11)30-3/h5-8H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1oc2c3sccc3[GeH2]c2c1)C	


key: CAN_SMILES
value:
  CSc1c(c2sc(c(c2)C)c2cc3c(o2)c2c([GeH2]3)ccs2)c2nc(c3cc(F)c(c(c3)OC)OC)c(nc2c(c1OC)c1cccn1C)c1ccc(c(c1)C)F	


key: InChI
value:
  InChI=1S/C43H35F2GeN3O4S3/c1-20-15-22(10-11-24(20)44)34-35(23-17-25(45)38(51-5)29(18-23)50-4)48-37-33(43(54-7)40(52-6)32(36(37)47-34)28-9-8-13-49(28)3)31-16-21(2)41(56-31)30-19-27-39(53-30)42-26(46-27)12-14-55-42/h8-19H,46H2,1-7H3


key: SMILES
value:
  c1(ccc(c2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1cc(c(c(c1)C)OC)OC)c1cc(cn1C)SC)c1c(c(c(n1C)c1ccc(c2cc(cn2C)OC)n1C)C)C	


key: CAN_SMILES
value:
  CSc1cc(n(c1)C)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1c(C)c(c(n1C)c1ccc(n1C)c1cc(cn1C)OC)C	


key: InChI
value:
  InChI=1S/C48H48F2N6O3S2/c1-25-17-28(20-40(58-9)47(25)59-10)41-42(29-18-34(49)48(61-12)35(50)19-29)51-43-32(38-22-31(60-11)24-54(38)5)13-14-33(44(43)52-41)45-26(2)27(3)46(56(45)7)37-16-15-36(55(37)6)39-21-30(57-8)23-53(39)4/h13-24H,1-12H3


key: InChI
value:
  InChI=1S/C36H31F2N3O3S/c1-16-9-10-25-32(40-41(6)39-25)27(16)35-36(45-8)31-29(22-13-23(37)20(5)24(38)14-22)33-30(26(42-7)15-43-33)28(34(31)44-35)21-11-17(2)19(4)18(3)12-21/h9-15H,1-8H3


key: InChI
value:
  InChI=1S/C32H21FO6S2Se3/c1-36-17-11-15-14(10-16(17)33)26(34)24-25(27(15)35)32(44-31(24)22-6-5-9-42-22)23-13-19(38-3)30(43-23)20-12-18(37-2)28(39-20)29-21(40-4)7-8-41-29/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C20H11F4N3O/c1-8-6-25-18-12(26-8)4-3-10(21)14(18)20-17(24)15-13(28-20)5-9-11(22)7-27(2)19(9)16(15)23/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C18H17FN4S2/c1-10-7-15(17-14(24-4)5-6-22(17)2)25-18(10)12-8-11(19)9-13-16(12)21-23(3)20-13/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C19H16FN3O/c1-11-9-16(15-5-4-8-23(15)3)24-19(11)17-13(20)6-7-14-18(17)21-10-12(2)22-14/h4-10H,1-3H3


key: InChI
value:
  InChI=1S/C21H20N2O3S3/c1-11-10-14(26-18(11)19-15(27-4)8-9-29-19)16-13(24-2)7-6-12-17(16)23-21(28-5)20(22-12)25-3/h6-10H,1-5H3


key: InChI
value:
  InChI=1S/C20H18N2O3S2/c1-11-10-14(15-6-5-9-27-15)25-18(11)16-13(23-2)8-7-12-17(16)22-20(26-4)19(21-12)24-3/h5-10H,1-4H3


key: InChI
value:
  InChI=1S/C20H19FN4O/c1-12-10-22-20-15(23-12)6-5-14(21)19(20)17-8-7-16(25(17)3)18-9-13(26-4)11-24(18)2/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C15H13FN4O2/c1-19-11-4-5-22-14(11)15(21-3)13(19)9-6-8(16)7-10-12(9)18-20(2)17-10/h4-7H,1-3H3


key: InChI
value:
  InChI=1S/C31H26F4N4O3S3/c1-13-31(35)37-23-19(29(43-6)30(44-7)20(24(23)36-13)28-27(41-5)15(32)12-45-28)26-22(34)21(33)25(39(26)3)18-9-8-17(42-18)16-10-14(40-4)11-38(16)2/h8-12H,1-7H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)ccs3)c2cc(c(F)n2C)OC)c1OC	


key: CAN_SMILES
value:
  CSc1cc(cc(c1OC)SC)c1nc2ccc(c(c2nc1c1cccc(c1)F)c1oc2c(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)ccs1)F	


key: InChI
value:
  InChI=1S/C46H36F3N3O5S4/c1-21-31(58-6)20-29(56-21)34-25-14-15-61-45(25)36(28-19-30(53-3)46(49)52(28)2)37-42(34)57-44(43(37)55-5)35-26(48)12-13-27-40(35)51-38(22-10-9-11-24(47)16-22)39(50-27)23-17-32(59-7)41(54-4)33(18-23)60-8/h9-20H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)F)C)c1cc(cc(c1)OC)SC)c1c(c(cn1C)OC)SC)SC)SC)c1ccc(o1)c1sc2c3[se]ccc3[GeH2]c2c1	


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3sc4c(c3)[GeH2]c3c4[se]cc3)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


key: InChI
value:
  InChI=1S/C45H40FGeN3O3S5Se/c1-21-14-23(15-22(2)35(21)46)36-37(24-16-25(51-4)18-26(17-24)54-6)48-38-33(30-11-10-29(53-30)32-19-28-41(58-32)45-27(47-28)12-13-59-45)43(56-8)44(57-9)34(39(38)49-36)40-42(55-7)31(52-5)20-50(40)3/h10-20H,47H2,1-9H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cccc(c1)OC)c1cc(c(c(c1)OC)F)SC)SC)F)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)ccs3)c2cc(c(F)n2C)OC)c1OC	


key: CAN_SMILES
value:
  COc1cccc(c1)c1nc2cc(SC)c(c(c2nc1c1cc(OC)c(c(c1)SC)F)c1oc2c(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)ccs1)F	


key: InChI
value:
  InChI=1S/C47H38F3N3O6S4/c1-21-31(60-7)20-28(58-21)34-25-13-14-63-46(25)35(27-19-30(56-5)47(50)53(27)2)36-43(34)59-45(44(36)57-6)37-39(49)33(62-9)18-26-42(37)52-41(23-16-29(55-4)38(48)32(17-23)61-8)40(51-26)22-11-10-12-24(15-22)54-3/h10-20H,1-9H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1cn(c(c1)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1n(C)c(c(c1C)C)c1c(OC)c2c(n1C)c(co2)OC)C	


key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: Name
value:
  A8-CH3_OCH3_SCH3_F_OCH3_F_F_OCH3_SCH3_OCH3_SCH3_OCH3-NCH3_S_S_NCH3-D10-H_CH3_CH3_OCH3_F_SCH3_OCH3_SCH3-NCH3_S-p1


key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
  COc1cc(cc(c1OC)F)c1nc2c(c3cc(c(s3)c3oc4c(c3OC)c(c3cc(c(n3C)F)OC)c3c(c4c4cc(c(o4)C)SC)ccs3)C)c(SC)c(c(c2nc1c1ccc(c(c1)C)F)c1cccn1C)OC	


key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)OC)c1c(c2c(c(co2)C)n1C)SC)C)SC)c1c(c2c(s1)c(c(n2C)c1[se]c2c3occc3[SiH2]c2c1)SC)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C37H33FN4O4S4SeSi/c1-14-13-46-29-24(14)41(3)26(32(29)48-8)19-15(2)30(47-7)20(23-22(19)39-36(43-5)37(40-23)44-6)31-21(38)27-34(50-31)33(49-9)25(42(27)4)16-12-18-35(51-16)28-17(52-18)10-11-45-28/h10-13H,52H2,1-9H3


key: InChI
value:
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key: InChI
value:
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key: InChI
value:
  InChI=1S/C31H19FO7S2/c1-14-9-19(22-5-4-8-40-22)38-28(14)31-21(36-3)12-23(41-31)30-25-24(29(39-30)20-10-15(32)13-37-20)26(33)17-7-6-16(35-2)11-18(17)27(25)34/h4-13H,1-3H3


key: InChI
value:
  InChI=1S/C30H28FN5O4/c1-13-9-17(24-26(37-8)14(2)11-34(24)5)22-23(33-36(7)32-22)20(13)28-16(4)21(31)29(40-28)18-10-19-25(35(18)6)30-27(39-19)15(3)12-38-30/h9-12H,1-8H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1sc2c(c(c3c(c2OC)c(cn3C)C)OC)c1C)SC)C	


key: CAN_SMILES
value:
  COc1c(C)cc(cc1F)c1nc2c(c(OC)cc(c2nc1c1cc(C)c(c(c1)SC)SC)c1cc2c(s1)ccs2)c1sc2c(c1C)oc(c2SC)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cn1C	


key: InChI
value:
  InChI=1S/C55H48FN3O5S7/c1-23-16-28(18-31(56)45(23)61-8)40-41(29-17-24(2)50(66-12)36(19-29)65-11)57-42-30(34-21-35-33(69-34)14-15-68-35)20-32(60-7)39(43(42)58-40)51-27(5)46-55(70-51)54(67-13)49(64-46)52-26(4)38-47(62-9)44-37(25(3)22-59(44)6)48(63-10)53(38)71-52/h14-22H,1-13H3


key: InChI
value:
  InChI=1S/C32H21F2NO4SSe2/c1-14-8-17-18(11-21(14)38-4)28(37)26-25(27(17)36)31(42-32(26)24-10-16(33)13-41-24)23-12-19(34)30(40-23)29-15(2)9-22(39-29)20-6-5-7-35(20)3/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C30H25F2N5O2S2/c1-14-7-8-17-26(34-37(4)33-17)23(14)18-11-16-25(20-13-21(38-5)30(32)39-20)28-15(9-10-41-28)24(27(16)35(18)2)19-12-22(40-6)29(31)36(19)3/h7-13H,1-6H3


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)C1=NCC(=C([C@H]1SC)C)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F	


key: CAN_SMILES
value:
  CS[C@H]1C(=NCC(=C1C)c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)occ1C)c1c(C)cc(c2c1nsn2)c1occ(c1F)SC	


key: InChI
value:
  InChI=1S/C44H41F2N5O2S6/c1-18-13-26(58-22(18)5)32-33-35(46)39(51(7)40(33)31(29-20(3)16-52-42(29)32)25-14-27(54-8)44(57-11)50(25)6)24-15-47-38(43(56-10)21(24)4)30-19(2)12-23(36-37(30)49-59-48-36)41-34(45)28(55-9)17-53-41/h12-14,16-17,43H,15H2,1-11H3/t43-/m1/s1


key: SMILES
value:
  c1(c2c(c([se]1)c1ccc[se]1)C(=O)c1c(C2=O)cc(c(c1)F)OC)c1cc(c([se]1)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)ccs3)c1cc(c(o1)F)OC)OC	


key: CAN_SMILES
value:
  COc1cc([se]c1c1cc2c(n1C)c(c1cc(c(n1C)F)SC)c1c(c2c2cc(c(o2)F)OC)scc1)c1[se]c(c2c1C(=O)c1cc(OC)c(cc1C2=O)F)c1ccc[se]1	


key: InChI
value:
  InChI=1S/C44H29F3N2O6S2Se3/c1-48-24(13-21-33(26-16-28(54-5)44(47)55-26)39-18(9-10-57-39)32(36(21)48)23-15-29(56-6)43(46)49(23)2)40-27(53-4)17-31(59-40)42-35-34(41(60-42)30-8-7-11-58-30)37(50)19-12-22(45)25(52-3)14-20(19)38(35)51/h7-17H,1-6H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1ccc(c(c1)C)F)c1ccc(c(c1)C)OC)OC)F)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F	


key: CAN_SMILES
value:
  COc1cc2nc(c3ccc(c(c3)C)F)c(nc2c(c1F)c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)occ1C)c1ccc(c(c1)C)OC	


key: InChI
value:
  InChI=1S/C49H43F3N4O3S3/c1-22-18-34(62-26(22)5)38-39-42(52)47(56(7)46(39)37(36-25(4)21-59-48(36)38)31-20-35(60-10)49(61-11)55(31)6)40-41(51)33(58-9)19-30-45(40)54-44(28-13-15-32(57-8)24(3)17-28)43(53-30)27-12-14-29(50)23(2)16-27/h12-21H,1-11H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1sc2c(c(c3c(c2c2cc(c(cc2)OC)C)ccn3C)c2cc(c(c(c2)F)OC)F)c1SC)C)C	


key: CAN_SMILES
value:
  COc1ccc(cc1C)c1c2sc(c(c2c(c2c1ccn2C)c1cc(F)c(c(c1)F)OC)SC)c1c(C)c2c(n1C)c(c(o2)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)C	


key: InChI
value:
  InChI=1S/C51H41F3N4O6S4/c1-20-16-24(12-13-30(20)59-7)32-26-14-15-57(5)40(26)33(25-17-27(52)43(60-8)28(53)18-25)34-49(32)67-51(50(34)66-11)39-23(4)42-38(58(39)6)22(3)41(63-42)35-37-36(55-68-56-37)31(21(2)48(35)65-10)45-46(61-9)47-44(64-45)29(54)19-62-47/h12-19H,1-11H3


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)C1=C([C@@H]([C@@]2(N1C2)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1)C)SC	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)[C@@]12CN2C(=C([C@@H]1C)SC)c1c(C)cc(c2c1nsn2)c1occ(c1F)SC	


key: InChI
value:
  InChI=1S/C45H37F2N3O2S6/c1-20-9-24(13-27(10-20)51-5)35-29-16-32(57-43(29)36(33-22(3)18-56-44(33)35)25-12-26(46)15-28(14-25)53-6)45-19-50(45)40(42(55-8)23(45)4)34-21(2)11-30(38-39(34)49-58-48-38)41-37(47)31(54-7)17-52-41/h9-18,23H,19H2,1-8H3/t23-,45+,50-/m0/s1


key: InChI
value:
  InChI=1S/C31H22FNO5S5/c1-13-10-19(41-12-13)29-21-20(25(34)22-23(26(21)35)31(40-5)43-30(22)32)28(38-29)18-7-6-17(42-18)27-15(36-3)11-14(37-27)24-16(39-4)8-9-33(24)2/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C37H30F2N2O4S2/c1-17-8-10-20(11-9-17)28-26-19(3)33(30-24(42-4)13-12-23-32(30)41-37(46-7)36(40-23)44-6)45-34(26)27(29-25(43-5)16-47-35(28)29)21-14-18(2)31(39)22(38)15-21/h8-16H,1-7H3


key: InChI
value:
  InChI=1S/C29H20FNO6S4/c1-11-8-15(39-10-11)25-17-16(22(32)18-19(23(17)33)29(38-5)41-28(18)30)24(37-25)14-7-6-13(40-14)21-26(35-4)27-20(31(21)2)12(34-3)9-36-27/h6-10H,1-5H3


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)c1c(c(c(n1C)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)ccs3)c1cc(c(o1)F)OC)C)SC	


key: InChI
value:
  InChI=1S/C41H34F3N5O3S5/c1-17-12-21(37-31(42)27(54-8)16-51-37)32-33(46-57-45-32)28(17)36-38(55-9)18(2)34(49(36)5)23-13-20-30(24-15-25(50-6)41(44)52-24)39-19(10-11-56-39)29(35(20)47(23)3)22-14-26(53-7)40(43)48(22)4/h10-16H,1-9H3


key: SMILES
value:
  c1(c(cc(c2nonc12)c1c(c(cn1C)F)SC)F)c1c(c(c(s1)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC)SC)C	


key: CAN_SMILES
value:
  CSc1c(C)c(sc1c1c(OC)c2c(n1C)c(c1ccc(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)OC)SC)scc1SC)c1c(F)cc(c2c1non2)c1n(C)cc(c1SC)F	


key: InChI
value:
  InChI=1S/C47H41F3N4O3S6/c1-20-12-13-23(14-21(20)2)31-34-30(58-8)19-62-46(34)32(24-15-27(49)44(60-10)29(16-24)55-6)35-39(31)54(5)40(41(35)56-7)47-43(59-9)22(3)42(63-47)33-26(48)17-25(36-37(33)52-57-51-36)38-45(61-11)28(50)18-53(38)4/h12-19H,1-11H3


key: InChI
value:
  InChI=1S/C20H18FN3O2S/c1-11-10-22-18-13(23-11)6-5-12(21)17(18)20-15(25-3)9-14(26-20)19-16(27-4)7-8-24(19)2/h5-10H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1oc2c3sccc3[GeH2]c2c1)OC)F	


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3occ(c3F)SC)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)c1oc2c(c1)[GeH2]c1c2scc1)OC)F	


key: InChI
value:
  InChI=1S/C42H31F4GeN3O3S5/c1-50-36(24-16-23-38(53-24)41-22(47-23)13-14-58-41)40(51-2)31(46)37(50)27-30(45)42(57-6)28(39-29(44)26(56-5)17-52-39)35-34(27)49-33(19-9-12-21(43)25(15-19)55-4)32(48-35)18-7-10-20(54-3)11-8-18/h7-17H,47H2,1-6H3


key: InChI
value:
  InChI=1S/C19H12F3N3O3/c1-7-6-27-17-11(7)18(26-3)19-12(14(17)22)13(21)16(28-19)9-4-8(20)5-10-15(9)24-25(2)23-10/h4-6H,1-3H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)F)C)F)c1cc(c(c(c1)OC)C)OC)c1c(c2c(s1)c(cs2)C)OC)OC)OC)c1cc2c(s1)c(c(n2C)c1c(c2c(c(cs2)C)n1C)OC)F	


key: CAN_SMILES
value:
  COc1cc(cc(c1C)OC)c1nc2c(c3sc4c(c3)n(c(c4F)c3c(OC)c4c(n3C)c(cs4)C)C)c(OC)c(c(c2nc1c1cc(F)c(c(c1)F)C)c1sc2c(c1OC)scc2C)OC	


key: InChI
value:
  InChI=1S/C50H43F3N4O6S4/c1-20-18-64-49-39(20)57(6)41(44(49)62-11)40-34(53)47-28(56(40)5)17-31(66-47)32-37-38(33(43(61-10)42(32)60-9)48-45(63-12)50-46(67-48)21(2)19-65-50)55-35(24-13-26(51)22(3)27(52)14-24)36(54-37)25-15-29(58-7)23(4)30(16-25)59-8/h13-19H,1-12H3


key: InChI
value:
  InChI=1S/C36H30FN3O3S6/c1-15-11-20(42-29(15)34-21(44-5)9-10-48-34)33-35(47-8)32-23(49-33)13-19(41-32)25-22(45-6)12-18(26-27(25)38-17(3)36(37)39-26)30-16(2)28-31(43-30)24(46-7)14-40(28)4/h9-14H,1-8H3


key: InChI
value:
  InChI=1S/C26H9F2NO4SSe3/c27-10-6-13(34-23(10)15-7-12-25(37-15)24-11(29-12)3-5-36-24)21-18-17(22(33-21)14-2-1-4-35-14)19(30)9-8-32-26(28)16(9)20(18)31/h1-8,29H


key: InChI
value:
  InChI=1S/C29H23F2N3O3S2SeSi/c1-12-23(34(2)24(25(12)35-3)13-10-16-26(37-13)29-15(41-16)6-9-40-29)17-19(30)20(31)18(22-21(17)32-7-8-33-22)27-28(39-5)14(38-4)11-36-27/h6-11H,41H2,1-5H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1oc2c(c(c3c(c2OC)c(co3)C)F)c1F)OC)F	


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3occ(c3F)SC)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)c1oc2c(c1F)c(F)c1c(c2OC)c(C)co1)OC)F	


key: InChI
value:
  InChI=1S/C46H33F6N3O5S4/c1-18-16-58-40-25(18)42(56-3)43-26(30(40)49)31(50)45(60-43)39-44(57-4)33(52)38(55(39)2)27-32(51)46(64-8)28(41-29(48)24(63-7)17-59-41)37-36(27)54-35(20-11-14-22(47)23(15-20)62-6)34(53-37)19-9-12-21(61-5)13-10-19/h9-17H,1-8H3


key: InChI
value:
  InChI=1S/C32H30F2N4O4S3/c1-15-26(20-22(33)23(34)21(25-24(20)35-10-11-36-25)31-32(45-8)19(44-7)14-41-31)38(3)28(29(15)40-5)30-17(39-4)13-16(42-30)27-18(43-6)9-12-37(27)2/h9-14H,1-8H3


key: InChI
value:
  InChI=1S/C34H28F2N4O5S5/c1-39-14(23-28(42-4)29-24(40(23)2)15(41-3)11-44-29)9-16-25(39)33(48-8)32(50-16)18-20(36)31(47-7)19(22-21(18)37-10-17(38-22)46-6)27-30(43-5)34-26(45-27)13(35)12-49-34/h9-12H,1-8H3


key: InChI
value:
  InChI=1S/C28H14FNO4S4Se/c1-10-7-16(36-9-10)25-18-17(21(31)19-20(22(18)32)28(35-2)38-27(19)29)24(34-25)15-4-3-14(37-15)13-8-12-23(33-13)26-11(30-12)5-6-39-26/h3-9,30H,1-2H3


key: InChI
value:
  InChI=1S/C16H12FN3OS/c1-9-6-13(14-4-3-5-22-14)21-16(9)11-7-10(17)8-12-15(11)19-20(2)18-12/h3-8H,1-2H3


key: InChI
value:
  InChI=1S/C15H9N3O2SSe/c1-19-10-3-2-7-13(18-21-17-7)12(10)11-6-9-14(20-11)15-8(16-9)4-5-22-15/h2-6,16H,1H3


key: InChI
value:
  InChI=1S/C37H34FN5O3S4/c1-17-31-33(27(48-8)16-42(31)4)46-32(17)20-13-25(47-7)28(30-29(20)40-37(38)18(2)39-30)24-14-26-34(45-24)36(49-9)35(50-26)22-11-10-21(43(22)5)23-12-19(44-6)15-41(23)3/h10-16H,1-9H3


key: InChI
value:
  InChI=1S/C18H18FN5O/c1-22-10-12(25-4)9-17(22)16-6-5-15(23(16)2)13-7-11(19)8-14-18(13)21-24(3)20-14/h5-10H,1-4H3


key: InChI
value:
  InChI=1S/C29H17FO4S6/c1-12-22-15(11-37-12)25(31)23-24(26(22)32)27(19-6-13(30)10-38-19)34-28(23)20-8-21(36-3)29(40-20)18-5-4-17(39-18)16-7-14(35-2)9-33-16/h4-11H,1-3H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)OC)SC)c1cc(c(c(c1)F)OC)F)c1c(c2c(c(cs2)F)n1C)OC)SC)OC)c1c(c2c(s1)c(c(n2C)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)SC)OC	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)csc2c(c2c1n(C)c(c2C)c1c(SC)c2c(n1C)c(c(s2)c1c(OC)c(SC)c(c2c1nc(c1cc(F)c(c(c1)F)OC)c(n2)c1cc(C)c(c(c1)SC)OC)c1c(OC)c2c(n1C)c(cs2)F)OC)c1cc(c(s1)C)F	


key: Name
value:
  A8-CH3_OCH3_SCH3_F_OCH3_F_F_OCH3_SCH3_OCH3_SCH3_OCH3-NCH3_S_S_NCH3-D9-SCH3_H_CH3_CH3_F_SCH3-S_NCH3_S_S-p1


key: InChI
value:
  InChI=1S/C66H57F4N5O5S10/c1-26-19-29(22-37(81-12)56(26)76-7)46-47(30-20-32(68)57(77-8)33(69)21-30)72-49-45(58(78-9)62(84-15)44(48(49)71-46)53-59(79-10)64-51(74(53)5)34(70)24-86-64)63-60(80-11)55-66(90-63)65(85-16)54(75(55)6)50-27(2)40-42(36-23-31(67)28(3)88-36)61-43(38(82-13)25-87-61)41(52(40)73(50)4)35-17-18-39(83-14)89-35/h17-25H,1-16H3


key: InChI
value:
  InChI=1S/C30H20GeO5S4Se/c1-11-7-17(36-25(11)16-9-15-26(35-16)27-14(31-15)5-6-39-27)28-20-21(29(40-28)18-8-13(37-3)10-41-18)24(33)22-19(23(20)32)12(2)34-30(22)38-4/h5-10H,31H2,1-4H3


key: InChI
value:
  InChI=1S/C30H19FO4S6/c1-12-5-6-37-28(12)20-8-16(34-3)29(41-20)30-19(36-4)9-18(40-30)27-22-23(26(35-27)17-7-14(31)10-39-17)25(33)21-13(2)38-11-15(21)24(22)32/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C30H19F2NO3S6/c1-12-21-14(11-39-12)25(34)22-23(26(21)35)27(16-7-13(31)10-40-16)36-28(22)17-8-18(37-3)29(41-17)20-9-19(38-4)30(42-20)24-15(32)5-6-33(24)2/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C16H12N2O3S2/c1-19-10-4-3-9-15(18-23-17-9)14(10)12-5-6-13(22-12)16-11(20-2)7-8-21-16/h3-8H,1-2H3


key: InChI
value:
  InChI=1S/C15H7F2N3OS2/c1-20-18-9-3-6(16)2-7(12(9)19-20)10-4-11-15(22-10)13-14(23-11)8(17)5-21-13/h2-5H,1H3


key: InChI
value:
  InChI=1S/C17H11FGeN2SSe/c1-8-7-20-15-12(21-8)3-2-9(18)14(15)13-6-11-16(22-13)17-10(19-11)4-5-23-17/h2-7H,19H2,1H3


key: InChI
value:
  InChI=1S/C16H12GeN2O4S/c1-20-11-6-9-13(19-23-18-9)12(15(11)21-2)10-5-8-14(22-10)16-7(17-8)3-4-24-16/h3-6H,17H2,1-2H3


key: InChI
value:
  InChI=1S/C16H12N2O3SSeSi/c1-19-8-5-7-13(18-21-17-7)12(14(8)20-2)9-6-11-16(23-9)15-10(24-11)3-4-22-15/h3-6H,24H2,1-2H3


key: InChI
value:
  InChI=1S/C16H12N2O2S2SeSi/c1-21-8-5-7-13(18-20-17-7)12(15(8)22-2)9-6-11-16(23-9)14-10(24-11)3-4-19-14/h3-6H,24H2,1-2H3


key: InChI
value:
  InChI=1S/C30H16F2O3S2Se3Si/c1-11-5-13-14(7-16(11)35-2)25(34)23-22(24(13)33)28(40-29(23)19-6-12(31)10-38-19)17-8-15(32)26(37-17)18-9-21-30(39-18)27-20(41-21)3-4-36-27/h3-10H,41H2,1-2H3


key: InChI
value:
  InChI=1S/C17H10FN3Se2/c1-8-7-19-15-10(20-8)3-2-9(18)14(15)13-6-12-17(23-13)16-11(21-12)4-5-22-16/h2-7,21H,1H3


key: InChI
value:
  InChI=1S/C18H10F2N2O2S3/c1-23-9-3-8-15(21-5-12(22-8)25-2)13(14(9)20)10-4-11-18(26-10)16-17(27-11)7(19)6-24-16/h3-6H,1-2H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1ccc(c(c1)SC)OC)SC)OC)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)ccs3)c1cc(c(o1)F)OC	


key: CAN_SMILES
value:
  CSc1cc2nc(c3cc(F)c(c(c3)F)SC)c(nc2c(c1OC)c1cc2c(n1C)c(c1cc(c(n1C)F)SC)c1c(c2c2cc(c(o2)F)OC)scc1)c1ccc(c(c1)SC)OC	


key: InChI
value:
  InChI=1S/C47H38F4N4O4S5/c1-54-28(17-24-37(31-20-32(57-4)47(51)59-31)44-23(12-13-64-44)36(42(24)54)29-19-35(62-8)46(50)55(29)2)38-41-27(18-34(61-7)43(38)58-5)52-40(22-14-25(48)45(63-9)26(49)15-22)39(53-41)21-10-11-30(56-3)33(16-21)60-6/h10-20H,1-9H3


key: InChI
value:
  InChI=1S/C24H12F3N3O4S3/c1-31-20-9(26)7-37-24(20)15-18-17(29-34-30-18)14(16(27)23(15)35-2)19-8(25)5-12(32-19)13-6-11-21(33-13)22-10(28-11)3-4-36-22/h3-7,28H,1-2H3


key: InChI
value:
  InChI=1S/C34H28F2N2O3S4/c1-17-12-22(41-33(17)34-24(42-4)10-11-45-34)27-29(36)26(44-6)16-21-32(27)38-31(19-14-23(40-3)28(35)25(15-19)43-5)30(37-21)18-8-7-9-20(13-18)39-2/h7-16H,1-6H3


key: InChI
value:
  InChI=1S/C31H21F2N3OS2Se2/c1-37-29-22(38-2)12-16(13-23(29)39-3)27-26(15-5-4-6-17(32)11-15)36-28-19(35-27)8-7-18(33)25(28)24-14-21-31(41-24)30-20(34-21)9-10-40-30/h4-14,34H,1-3H3


key: InChI
value:
  InChI=1S/C35H30F2N2O3S5/c1-17-10-11-46-33(17)27-16-24(41-3)35(47-27)28-31-22(15-26(44-6)32(28)42-4)38-30(19-12-20(36)34(45-7)21(37)13-19)29(39-31)18-8-9-23(40-2)25(14-18)43-5/h8-16H,1-7H3


key: InChI
value:
  InChI=1S/C33H26F2GeN2O3S4/c1-39-22-7-6-15(12-24(22)42-3)27-28(16-10-17(34)32(44-5)18(35)11-16)37-21-14-25(43-4)31(40-2)26(29(21)38-27)23-13-20-30(41-23)33-19(36-20)8-9-45-33/h6-14H,36H2,1-5H3


key: InChI
value:
  InChI=1S/C33H25F2N3O3S4/c1-39-22-7-6-15(12-24(22)42-3)27-28(16-10-17(34)32(44-5)18(35)11-16)37-20-14-25(43-4)31(40-2)26(29(20)38-27)23-13-21-30(41-23)33-19(36-21)8-9-45-33/h6-14,36H,1-5H3


key: InChI
value:
  InChI=1S/C28H23F2N3O2S5/c1-12-7-8-38-23(12)18-10-17(34-4)27(39-18)28-25(36-5)13(2)24(40-28)19-15(29)9-14(20-21(19)32-35-31-20)22-26(37-6)16(30)11-33(22)3/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H21F2N3O2S5/c1-12-24(39-27(25(12)36-4)19-7-6-18(38-19)17-8-13(35-3)11-33-17)20-15(28)9-14(21-22(20)31-34-30-21)23-26(37-5)16(29)10-32(23)2/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C27H21F2N3O3S4/c1-12-24(39-27(25(12)36-4)18-7-6-17(38-18)23-16(33-3)8-9-34-23)19-14(28)10-13(20-21(19)31-35-30-20)22-26(37-5)15(29)11-32(22)2/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C26H22F2N4O3S3/c1-6-32-15-7-8-34-21(15)22(33-4)20(32)26-23(36)11(2)24(38-26)16-13(27)9-12(17-18(16)30-35-29-17)19-25(37-5)14(28)10-31(19)3/h7-10,36H,6H2,1-5H3


key: InChI
value:
  InChI=1S/C24H13F3N2O3S3SeSi/c1-30-20-9(26)7-35-23(20)15-18-17(28-32-29-18)14(16(27)22(15)33-2)19-8(25)5-10(31-19)11-6-13-24(36-11)21-12(37-13)3-4-34-21/h3-7H,37H2,1-2H3


key: InChI
value:
  InChI=1S/C21H20FN3OS3/c1-11-8-15(20-14(27-4)6-7-25(20)2)29-21(11)17-18(22)13(26-3)9-12-19(17)23-10-16(24-12)28-5/h6-10H,1-5H3


key: InChI
value:
  InChI=1S/C33H25F2N3O3S3Se/c1-39-22-7-6-15(12-24(22)42-3)27-28(16-10-17(34)32(44-5)18(35)11-16)37-20-14-25(43-4)31(40-2)26(29(20)38-27)23-13-21-30(41-23)33-19(36-21)8-9-45-33/h6-14,36H,1-5H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cc(cc(c1)C)F)c1c(c2c(s1)c(cs2)F)F)SC)OC)c1c(c2c(c(c(s2)c2ccc(c3cc(cn3C)OC)n2C)F)n1C)F	


key: CAN_SMILES
value:
  COc1cn(c(c1)c1ccc(n1C)c1sc2c(c1F)n(c(c2F)c1c(OC)c(SC)c(c2c1nc(c1cc(C)cc(c1)F)c(n2)c1cc(OC)c(c(c1)SC)F)c1sc2c(c1F)scc2F)C)C	


key: InChI
value:
  InChI=1S/C49H37F6N5O3S5/c1-20-12-21(14-23(50)13-20)37-38(22-15-29(62-6)33(52)30(16-22)64-8)57-40-32(46-36(55)49-44(67-46)25(51)19-66-49)47(65-9)43(63-7)31(39(40)56-37)41-34(53)48-42(60(41)4)35(54)45(68-48)27-11-10-26(59(27)3)28-17-24(61-5)18-58(28)2/h10-19H,1-9H3


key: InChI
value:
  InChI=1S/C29H21F4N3O2S3SeSi/c1-10-29(33)35-19-15(26(39-4)27(40-5)16(20(19)34-10)25-23(37-3)11(30)9-41-25)22-18(32)17(31)21(36(22)2)12-8-14-28(42-12)24-13(43-14)6-7-38-24/h6-9H,43H2,1-5H3


key: InChI
value:
  InChI=1S/C33H31FN2O5S3/c1-14-12-19(40-26(14)32-20(42-8)10-11-44-32)29-23(34)17(4)28(41-29)21-16(3)27(37-6)22(30-31(43-9)15(2)13-39-30)25-24(21)36-33(38-7)18(5)35-25/h10-13H,1-9H3


key: InChI
value:
  InChI=1S/C29H23F2GeN3O2S3Se/c1-12-23(35(2)24(25(12)36-3)15-10-14-27(40-15)29-13(32-14)6-9-41-29)17-19(30)20(31)18(22-21(17)33-7-8-34-22)26-28(39-5)16(38-4)11-37-26/h6-11H,32H2,1-5H3


key: InChI
value:
  InChI=1S/C34H28F2N2O4S4/c1-39-19-9-7-8-17(12-19)30-31(18-13-22(40-2)28(35)25(14-18)44-5)38-32-20(37-30)15-26(45-6)29(36)27(32)21-16-23(41-3)33(42-21)34-24(43-4)10-11-46-34/h7-16H,1-6H3


key: InChI
value:
  InChI=1S/C30H20F4N2O2S2/c1-13-9-15(5-7-17(13)31)25-26(16-6-8-20(37-3)14(2)10-16)36-27-19(35-25)11-21(38-4)23(33)22(27)29-24(34)30-28(40-29)18(32)12-39-30/h5-12H,1-4H3


key: InChI
value:
  InChI=1S/C28H15FO4S4SeSi/c1-10-7-13(35-9-10)24-18-17(21(30)19-20(22(18)31)28(34-2)37-27(19)29)23(33-24)12-4-3-11(36-12)14-8-16-26(38-14)25-15(39-16)5-6-32-25/h3-9H,39H2,1-2H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cn1C)C)OC)C)c1c(c(c(o1)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1)F)C	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)cc(c1OC)C	


key: InChI
value:
  InChI=1S/C46H40F2N4O3S3/c1-21-11-26(15-29(12-21)53-8)36-31-18-33(58-45(31)37(34-24(4)20-57-46(34)36)27-14-28(47)17-30(16-27)56-10)44-38(48)25(5)43(55-44)35-22(2)13-32(39-40(35)50-52(7)49-39)41-42(54-9)23(3)19-51(41)6/h11-20H,1-10H3


key: InChI
value:
  InChI=1S/C35H24F5N3O3/c1-15-10-17(6-8-20(15)36)31-32(18-7-9-23(44-4)16(2)11-18)42-33-22(41-31)13-25(45-5)28(38)27(33)35-30(40)26-24(46-35)12-19-21(37)14-43(3)34(19)29(26)39/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C31H22O5S5Se/c1-13-8-18(36-28(13)20-7-6-19(40-20)17-9-15(37-3)11-34-17)29-23-24(30(41-29)21-10-16(38-4)12-42-21)27(33)25-22(26(23)32)14(2)35-31(25)39-5/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C31H22O6S4Se/c1-13-10-17(37-27(13)18-6-7-19(40-18)28-16(34-3)8-9-35-28)29-22-23(30(41-29)20-11-15(38-4)12-42-20)26(33)24-21(25(22)32)14(2)36-31(24)39-5/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C32H23FN4O5S3/c1-11-18(28-29(38-5)30-26(42-28)14(33)10-39-30)20-21(36-45-35-20)19(31(11)43-6)24-13(3)23-25(41-24)12(2)22(37(23)4)17-9-16-27(40-17)32-15(34-16)7-8-44-32/h7-10,34H,1-6H3


key: InChI
value:
  InChI=1S/C31H21F2N3O2S3/c1-37-30-23(39-2)12-16(13-24(30)40-3)27-26(15-5-4-6-17(32)11-15)36-28-19(35-27)8-7-18(33)25(28)22-14-21-29(38-22)31-20(34-21)9-10-41-31/h4-14,34H,1-3H3


key: InChI
value:
  InChI=1S/C23H18F2N2O3S/c1-9-8-29-21-11(3)16-19(25)23(30-22(16)10(2)15(9)21)17-18(24)13(28-4)6-12-20(17)26-7-14(27-12)31-5/h6-8H,1-5H3


key: SMILES
value:
  c1(ccc(c2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1cc(c(c(c1)C)OC)OC)c1cc(cn1C)SC)c1c(c(c(n1C)c1c(c2c(c(cs2)F)s1)F)C)C	


key: CAN_SMILES
value:
  CSc1cc(n(c1)C)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1n(C)c(c(c1C)C)c1sc2c(c1F)scc2F	


key: InChI
value:
  InChI=1S/C43H36F4N4O2S4/c1-19-12-22(15-31(52-6)39(19)53-7)33-34(23-13-27(44)40(55-9)28(45)14-23)48-35-25(30-16-24(54-8)17-50(30)4)10-11-26(36(35)49-33)37-20(2)21(3)38(51(37)5)42-32(47)43-41(57-42)29(46)18-56-43/h10-18H,1-9H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1cc(c(c2cccs2)s1)SC)OC)F	


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3occ(c3F)SC)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)c1cc(c(s1)c1cccs1)SC)OC)F	


key: InChI
value:
  InChI=1S/C43H33F4N3O2S7/c1-50-38(26-18-27(55-5)42(59-26)24-9-8-16-58-24)41(51-2)33(47)39(50)29-32(46)43(57-7)30(40-31(45)28(56-6)19-52-40)37-36(29)49-35(21-12-15-23(44)25(17-21)54-4)34(48-37)20-10-13-22(53-3)14-11-20/h8-19H,1-7H3


key: InChI
value:
  InChI=1S/C18H16FN3O3S/c1-22-10-5-6-25-17(10)18(24-3)16(22)13-14(19)11(23-2)7-9-15(13)20-8-12(21-9)26-4/h5-8H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1oc2c3[se]ccc3[SiH2]c2c1)OC)F	


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3occ(c3F)SC)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)c1oc2c(c1)[SiH2]c1c2[se]cc1)OC)F	


key: InChI
value:
  InChI=1S/C42H31F4N3O3S4SeSi/c1-49-36(22-16-26-38(52-22)42-25(58-26)13-14-57-42)40(50-2)31(46)37(49)27-30(45)41(56-6)28(39-29(44)24(55-5)17-51-39)35-34(27)48-33(19-9-12-21(43)23(15-19)54-4)32(47-35)18-7-10-20(53-3)11-8-18/h7-17H,58H2,1-6H3


key: InChI
value:
  InChI=1S/C32H24FGeN3O4S3Se/c1-11-18(27-28(38-5)29-26(41-27)14(33)10-39-29)20-21(36-44-35-20)19(30(11)42-6)24-13(3)23-25(40-24)12(2)22(37(23)4)17-9-16-31(43-17)32-15(34-16)7-8-45-32/h7-10H,34H2,1-6H3


key: InChI
value:
  InChI=1S/C33H28F2GeN6O2S3Se/c1-39-12-17(43-5)23-26(39)31(45-6)25(40(23)2)19-14(34)10-13(21-22(19)38-42(4)37-21)28-32(46-7)27-29(44-28)20(35)24(41(27)3)18-11-16-30(47-18)33-15(36-16)8-9-48-33/h8-12H,36H2,1-7H3


key: InChI
value:
  InChI=1S/C31H15F3O5S3Se2/c1-10-4-12-13(6-16(10)37-2)22(36)20-19(21(12)35)30(44-31(20)18-5-11(32)9-43-18)17-7-14(33)26(41-17)29-28(40-3)25-27(42-29)24-23(39-25)15(34)8-38-24/h4-9H,1-3H3


key: InChI
value:
  InChI=1S/C27H22FN3O2S3SeSi/c1-11-8-13(24-19(28)15(34-4)10-32-24)20-21(30-36-29-20)18(11)23-26(35-5)12(2)22(31(23)3)14-9-17-25(33-14)27-16(38-17)6-7-37-27/h6-10H,38H2,1-5H3


key: InChI
value:
  InChI=1S/C17H14FN3OS2/c1-9-6-13(22-16(9)17-14(23-3)4-5-24-17)11-7-10(18)8-12-15(11)20-21(2)19-12/h4-8H,1-3H3


key: InChI
value:
  InChI=1S/C31H15F3O6S3Se2/c1-37-15-5-11-12(6-17(15)41-2)22(36)19-20(21(11)35)31(18-4-10(32)9-44-18)45-30(19)16-7-13(33)24(39-16)29-28(42-3)26-27(43-29)25-23(40-26)14(34)8-38-25/h4-9H,1-3H3


key: InChI
value:
  InChI=1S/C33H27F2N3O2S2/c1-37-12-6-9-24(37)25-14-20-17-38-30(18-7-5-8-21(34)13-18)29(19-15-26(41-3)33(39-2)27(16-19)42-4)36-23-11-10-22(35)28(31(23)38)32(20)40-25/h5-16,38H,17H2,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cc(cc(c1)C)F)c1c(c2c(s1)c(cs2)F)F)SC)OC)c1c(c2c(c(c(s2)c2sc3c4[se]ccc4[GeH2]c3c2)F)n1C)F	


key: CAN_SMILES
value:
  COc1c(SC)c(c2c(c1c1n(C)c3c(c1F)sc(c3F)c1cc3c(s1)c1c([GeH2]3)cc[se]1)nc(c(n2)c1cc(OC)c(c(c1)SC)F)c1cc(C)cc(c1)F)c1sc2c(c1F)scc2F	


key: InChI
value:
  InChI=1S/C46H29F6GeN3O2S6Se/c1-16-9-17(11-19(47)10-16)32-33(18-12-23(57-3)28(49)24(13-18)59-5)55-35-27(42-31(52)45-39(63-42)20(48)15-61-45)43(60-6)38(58-4)26(34(35)54-32)36-29(50)44-37(56(36)2)30(51)41(64-44)25-14-22-40(62-25)46-21(53-22)7-8-65-46/h7-15H,53H2,1-6H3


key: InChI
value:
  InChI=1S/C37H34N4O3S5/c1-17-27(32-18(2)35-33(41(32)5)21(42-6)16-44-35)30-29(38-15-26(39-30)46-9)28(34(17)43-7)23-13-20-36(48-23)19(3)31(40(20)4)24-14-25(45-8)37(49-24)22-11-10-12-47-22/h10-16H,1-9H3


key: InChI
value:
  InChI=1S/C34H29F3N4O2S5/c1-14-26(20-22(36)23(37)21(25-24(20)38-9-10-39-25)30-32(45-6)18(44-5)12-43-30)41(3)27(29(14)42-4)28-33(46-7)19-17(40(28)2)11-15-16(35)13-48-31(15)34(19)47-8/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C17H14N2O2S3/c1-22-9-10-6-14(15-4-3-5-24-15)20-17(10)12-7-11(23-2)8-13-16(12)19-21-18-13/h3-6,8,22H,9H2,1-2H3


key: InChI
value:
  InChI=1S/C30H19FO6S3Se/c1-12-8-18(16-6-5-7-35-16)40-29(12)26-15(31)10-17(36-26)27-21-22(28(37-27)19-9-14(38-4)11-39-19)24(32)20-13(2)41-30(34-3)23(20)25(21)33/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C26H18F2N4OS3Se2/c1-10-21(36-24(22(10)34-3)16-8-15-26(38-16)25-14(29-15)5-6-37-25)17-12(27)7-11(18-19(17)31-33-30-18)20-23(35-4)13(28)9-32(20)2/h5-9,29H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)OC)SC)c1cc(c(c(c1)F)OC)F)c1c(c2c(c(cs2)F)n1C)OC)SC)OC)c1c(c2c(s1)c(c(n2C)c1ccc(c2cc(co2)SC)s1)SC)OC	


key: CAN_SMILES
value:
  CSc1coc(c1)c1ccc(s1)c1n(C)c2c(c1SC)sc(c2OC)c1c(OC)c(SC)c(c2c1nc(c1cc(F)c(c(c1)F)OC)c(n2)c1cc(C)c(c(c1)SC)OC)c1n(C)c2c(c1OC)scc2F	


key: InChI
value:
  InChI=1S/C52H45F3N4O6S7/c1-22-15-23(18-32(67-10)43(22)60-4)35-36(24-16-26(53)44(61-5)27(54)17-24)57-38-34(45(62-6)48(68-11)33(37(38)56-35)41-46(63-7)50-39(58(41)2)28(55)21-70-50)49-47(64-8)42-52(72-49)51(69-12)40(59(42)3)31-14-13-30(71-31)29-19-25(66-9)20-65-29/h13-21H,1-12H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cc(cc(c1)C)F)c1c(c2c(s1)c(cs2)F)F)SC)OC)c1c(c2c(c(c(s2)c2oc3c(c(c4c(c3)c(cn4C)F)F)c2F)F)n1C)F	


key: CAN_SMILES
value:
  COc1c(SC)c(c2c(c1c1n(C)c3c(c1F)sc(c3F)c1oc3c(c1F)c(F)c1c(c3)c(F)cn1C)nc(c(n2)c1cc(OC)c(c(c1)SC)F)c1cc(C)cc(c1)F)c1sc2c(c1F)scc2F	


key: InChI
value:
  InChI=1S/C49H29F9N4O3S5/c1-16-8-17(10-19(50)9-16)35-36(18-11-24(63-4)29(53)25(12-18)66-6)60-38-28(45-34(58)49-44(69-45)22(52)15-68-49)46(67-7)42(64-5)27(37(38)59-35)40-32(56)47-41(62(40)3)33(57)48(70-47)43-31(55)26-23(65-43)13-20-21(51)14-61(2)39(20)30(26)54/h8-15H,1-7H3


key: InChI
value:
  InChI=1S/C37H31NO6S4Se/c1-14-10-19(44-30(14)33-16(3)22-31(41-6)27-21(15(2)12-38(27)5)32(42-7)36(22)47-33)34-24-25(35(48-34)20-11-18(45-8)13-49-20)29(40)26-23(28(24)39)17(4)43-37(26)46-9/h10-13H,1-9H3


key: InChI
value:
  InChI=1S/C33H27NO6S4Se/c1-14-10-19(40-29(14)30-18(37-4)12-17(39-30)26-20(42-6)8-9-34(26)3)31-23-24(32(44-31)21-11-16(41-5)13-45-21)28(36)25-22(27(23)35)15(2)38-33(25)43-7/h8-13H,1-7H3


key: InChI
value:
  InChI=1S/C18H13FN2OS2SeSi/c1-22-9-5-8-16(20-7-13(21-8)23-2)14(15(9)19)10-6-12-18(25-10)17-11(26-12)3-4-24-17/h3-7H,26H2,1-2H3


key: InChI
value:
  InChI=1S/C18H13FN2S3SeSi/c1-22-17-18(23-2)21-14-9(5-8(19)6-10(14)20-17)11-7-13-16(25-11)15-12(26-13)3-4-24-15/h3-7H,26H2,1-2H3


key: InChI
value:
  InChI=1S/C18H13FN2OS/c1-10-8-15(14-4-3-7-22-14)23-18(10)16-12(19)5-6-13-17(16)20-9-11(2)21-13/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C19H16N2O2S2SeSi/c1-22-10-5-4-9-15(21-19(24-3)18(20-9)23-2)14(10)11-8-13-17(26-11)16-12(27-13)6-7-25-16/h4-8H,27H2,1-3H3


key: InChI
value:
  InChI=1S/C32H29FN2O5S2/c1-14-12-20(19-10-9-11-38-19)42-31(14)29-23(33)17(4)27(40-29)21-16(3)26(36-6)22(28-30(41-8)15(2)13-39-28)25-24(21)35-32(37-7)18(5)34-25/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C26H10F2O4S2Se2Si/c27-10-6-11(34-23(10)13-7-15-25(36-13)24-14(37-15)3-4-33-24)21-18-17(22(32-21)12-2-1-5-35-12)19(29)9-8-31-26(28)16(9)20(18)30/h1-8H,37H2


key: InChI
value:
  InChI=1S/C28H13F2NO6SSe/c1-10-8-34-26-20-14(36-23(10)26)7-13(31(20)2)27-12(29)6-15(38-27)24-19-18(25(37-24)16-4-3-5-39-16)21(32)11-9-35-28(30)17(11)22(19)33/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C36H31F2N5O3S5/c1-41-14-16(44-4)11-20(41)18-9-10-19(42(18)2)21-12-22-29(43(21)3)35(49-8)34(51-22)24-26(38)33(48-7)25(28-27(24)39-13-23(40-28)47-6)31-32(45-5)36-30(46-31)17(37)15-50-36/h9-15H,1-8H3


key: InChI
value:
  InChI=1S/C34H25F2N3O3S6/c1-14-10-17(18-8-7-9-46-18)41-27(14)16-11-19-26(39(16)2)33(45-6)32(48-19)21-23(36)31(44-5)22(25-24(21)37-12-20(38-25)43-4)29-30(40-3)34-28(42-29)15(35)13-47-34/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C34H25F2N3O3S7/c1-39-16(18-7-8-19(48-18)17-9-14(43-3)12-41-17)10-20-27(39)33(46-6)32(49-20)22-24(36)31(45-5)23(26-25(22)37-11-21(38-26)44-4)29-30(40-2)34-28(42-29)15(35)13-47-34/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C33H24N2O6S4/c1-15-9-23(17-7-6-8-37-17)45-32(15)21-12-20-31(41-21)33(44-5)29(40-20)16-10-24(42-3)26(28-27(16)35-25(43-4)13-34-28)18-11-19-30(39-18)22(36-2)14-38-19/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C34H25FN4O3S5/c1-13-26-29(22(44-5)12-39(26)3)42-27(13)15-9-20(43-4)23(25-24(15)38-34(35)14(2)36-25)18-11-21-30(40-18)33(45-6)32(47-21)19-10-17-28(41-19)31-16(37-17)7-8-46-31/h7-12,37H,1-6H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)F)C)c1c(c2c(o1)c(cn2C)SC)C)SC)c1cc2c(o1)c(c(s2)c1c(c2c(c3c(c(co3)F)o2)s1)SC)SC	


key: InChI
value:
  InChI=1S/C35H25F2N3O4S6/c1-12-23-26(19(46-5)10-40(23)3)43-24(12)14-8-17(45-4)20(22-21(14)39-35(37)13(2)38-22)16-9-18-27(42-16)31(47-6)33(49-18)34-32(48-7)29-30(50-34)28-25(44-29)15(36)11-41-28/h8-11H,1-7H3


key: InChI
value:
  InChI=1S/C35H31FN4O3S5/c1-14-13-47-32-25(14)40(5)27(31(32)41-6)33-34(46-9)30-20(48-33)11-18(42-30)22-19(44-7)10-17(23-24(22)37-16(3)35(36)38-23)28-15(2)26-29(43-28)21(45-8)12-39(26)4/h10-13H,1-9H3


key: SMILES
value:
  c1(cc(c(c2c1nc(cn2)SC)c1cc2c(o1)c(co2)OC)SC)c1c(c2c(o1)cc(o2)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(cc(c2c1oc2c(c1)occ2OC)SC)c1oc2c(c1SC)oc(c2)c1n(C)c2c(c1C)c(c1sc(c(c1)F)C)c1c(c2c2ccc(s2)SC)c(SC)cs1	


key: InChI
value:
  InChI=1S/C47H36FN3O5S8/c1-19-34-37(30-13-22(48)20(2)63-30)46-38(31(58-6)18-62-46)36(28-10-11-33(60-8)64-28)42(34)51(3)41(19)24-15-26-45(55-24)47(61-9)43(56-26)21-12-29(57-5)35(40-39(21)50-32(59-7)16-49-40)23-14-25-44(54-23)27(52-4)17-53-25/h10-18H,1-9H3


key: InChI
value:
  InChI=1S/C16H15FN4OS/c1-8-7-23-16-13(8)20(2)14(15(16)22-4)10-5-9(17)6-11-12(10)19-21(3)18-11/h5-7H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)OC)SC)c1cc(c(c(c1)F)OC)F)c1c(c2c(c(cs2)F)n1C)OC)SC)OC)c1c(c2c(s1)c(c(n2C)c1cc(c(c2c(ccn2C)F)s1)SC)SC)OC	


key: CAN_SMILES
value:
  COc1c(F)cc(cc1F)c1nc2c(nc1c1cc(C)c(c(c1)SC)OC)c(c(c(c2c1sc2c(c1OC)n(c(c2SC)c1sc(c(c1)SC)c1c(F)ccn1C)C)OC)SC)c1c(OC)c2c(n1C)c(cs2)F	


key: InChI
value:
  InChI=1S/C53H47F4N5O5S7/c1-22-16-23(19-30(68-10)43(22)63-5)34-35(24-17-26(55)44(64-6)27(56)18-24)59-37-33(45(65-7)49(70-12)32(36(37)58-34)41-46(66-8)51-39(61(41)3)28(57)21-72-51)50-47(67-9)42-53(74-50)52(71-13)40(62(42)4)29-20-31(69-11)48(73-29)38-25(54)14-15-60(38)2/h14-21H,1-13H3


key: InChI
value:
  InChI=1S/C31H25F3N4OS6/c1-12-25(19-15(32)8-14(21-22(19)36-39-35-21)23-28(41-5)16(33)10-37(23)2)45-31(26(12)40-4)24-29(42-6)20-18(38(24)3)9-13-17(34)11-44-27(13)30(20)43-7/h8-11H,1-7H3


key: InChI
value:
  InChI=1S/C16H15N3O2S2/c1-8-7-22-16-13(8)19(2)14(15(16)21-4)11-10(20-3)6-5-9-12(11)18-23-17-9/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C28H24F2N4O2S3/c1-13-10-19(18-8-7-9-33(18)3)35-24(13)28-26(37-5)14(2)25(39-28)20-16(29)11-15(21-22(20)32-36-31-21)23-27(38-6)17(30)12-34(23)4/h7-12H,1-6H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)OC)SC)c1cc(c(c(c1)F)OC)F)c1c(c2c(c(cs2)F)n1C)OC)SC)OC)c1c(c2c(s1)c(c(n2C)c1ccc(c2cc(cn2C)OC)n1C)SC)OC	


key: CAN_SMILES
value:
  COc1cn(c(c1)c1ccc(n1C)c1c(SC)c2c(n1C)c(c(s2)c1c(OC)c(SC)c(c2c1nc(c1cc(F)c(c(c1)F)OC)c(n2)c1cc(C)c(c(c1)SC)OC)c1c(OC)c2c(n1C)c(cs2)F)OC)C	


key: InChI
value:
  InChI=1S/C54H51F3N6O6S5/c1-24-17-25(20-34(70-12)45(24)65-7)37-38(26-18-28(55)46(66-8)29(56)19-26)59-40-36(47(67-9)50(71-13)35(39(40)58-37)43-48(68-10)52-41(62(43)4)30(57)23-73-52)51-49(69-11)44-54(74-51)53(72-14)42(63(44)5)32-16-15-31(61(32)3)33-21-27(64-6)22-60(33)2/h15-23H,1-14H3


key: InChI
value:
  InChI=1S/C30H19FO5S5Se/c1-12-20-23(30(34-2)42-12)25(33)21-22(24(20)32)28(17-8-13(37-3)11-40-17)36-27(21)15-9-14(31)26(35-15)18-10-19(38-4)29(41-18)16-6-5-7-39-16/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C29H27F2N5O2S3/c1-14-26(22-17(30)11-16(23-24(22)33-38-32-23)25-28(40-7)18(31)13-35(25)3)41-29(27(14)39-6)20-9-8-19(36(20)4)21-10-15(37-5)12-34(21)2/h8-13H,1-7H3


key: InChI
value:
  InChI=1S/C30H13F3O4S3Se2/c1-10-3-12-13(5-16(10)36-2)24(35)22-21(23(12)34)29(42-30(22)20-4-11(31)9-41-20)19-6-14(32)26(40-19)17-7-18-28(39-17)25-27(38-18)15(33)8-37-25/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C17H14N2O4S/c1-9-7-13(11-5-4-6-22-11)24-17(9)14-15-10(18-23-19-15)8-12(20-2)16(14)21-3/h4-8H,1-3H3


key: InChI
value:
  InChI=1S/C17H14N2O2S4/c1-22-9-6-11(20-8-9)12-4-5-13(25-12)15-16-10(18-21-19-16)7-14(23-2)17(15)24-3/h4-8H,1-3H3


key: InChI
value:
  InChI=1S/C18H16N2O2S4/c1-9-5-6-24-16(9)12-8-11(21)17(25-12)14-15-10(19-22-20-15)7-13(23-2)18(14)26(3)4/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C34H27F2N3O3S3/c1-16-13-17(7-9-23(16)40-3)25-19-11-12-39(2)30(19)26(18-14-20(35)31(42-5)21(36)15-18)28-32(25)44-34(33(28)43-6)27-24(41-4)10-8-22-29(27)38-45-37-22/h7-15H,1-6H3


key: InChI
value:
  InChI=1S/C32H21FO5S5/c1-14-8-16-17(10-19(14)36-2)28(35)25-26(27(16)34)31(43-30(25)20-9-15(39-3)13-37-20)21-11-18(33)29(38-21)23-12-24(40-4)32(42-23)22-6-5-7-41-22/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C29H20FNO7S2Se/c1-11-17-20(29(35-4)41-11)23(33)18-19(22(17)32)27(16-8-12(39-5)10-40-16)38-26(18)15-9-13(30)24(37-15)21-28(34-3)25-14(31(21)2)6-7-36-25/h6-10H,1-5H3


key: InChI
value:
  InChI=1S/C29H17FGeO5S3Se2/c1-10-18-21(29(34-2)41-10)23(33)19-20(22(18)32)26(16-6-11(37-3)9-38-16)36-25(19)15-7-12(30)24(35-15)17-8-14-27(39-17)28-13(31-14)4-5-40-28/h4-9H,31H2,1-3H3


key: InChI
value:
  InChI=1S/C31H18FNO5S2Se2/c1-12-6-14-15(8-19(12)36-2)26(35)23-24(25(14)34)29(40-28(23)20-7-13(39-3)11-37-20)21-9-16(32)27(38-21)22-10-18-31(42-22)30-17(33-18)4-5-41-30/h4-11,33H,1-3H3


key: InChI
value:
  InChI=1S/C17H17N3O3S2/c1-8-7-20(2)13-15(8)25-16(17(13)24-5)11-12-9(18-23-19-12)6-10(21-3)14(11)22-4/h6-7H,1-5H3


key: InChI
value:
  InChI=1S/C30H16F2O5SSe3Si/c1-35-15-6-12-13(7-17(15)38-2)25(34)22-23(24(12)33)29(19-5-11(31)10-39-19)41-28(22)16-8-14(32)26(37-16)18-9-21-30(40-18)27-20(42-21)3-4-36-27/h3-10H,42H2,1-2H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cc(cc(c1)C)F)c1c(c2c(s1)c(cs2)F)F)SC)OC)c1c(c2c(c(c(s2)c2oc3c(c(c4c(c3c3cc(c(c(c3)C)C)C)c(co4)OC)c3cc(c(c(c3)F)C)F)c2SC)F)n1C)F	


key: CAN_SMILES
value:
  COc1cc(cc(c1F)SC)c1nc2c(nc1c1cc(C)cc(c1)F)c(c(c(c2c1sc2c(c1F)scc2F)SC)OC)c1c(F)c2c(n1C)c(c(s2)c1oc2c(c1SC)c(c1cc(F)c(c(c1)F)C)c1c(c2c2cc(C)c(c(c2)C)C)c(OC)co1)F	


key: InChI
value:
  InChI=1S/C66H47F8N3O5S6/c1-24-13-31(17-33(67)14-24)50-51(32-20-37(78-7)46(71)39(21-32)83-10)76-53-45(61-49(74)66-60(87-61)36(70)23-86-66)63(85-12)58(80-9)44(52(53)75-50)54-47(72)64-55(77(54)6)48(73)65(88-64)59-62(84-11)43-41(30-18-34(68)28(5)35(69)19-30)56-42(38(79-8)22-81-56)40(57(43)82-59)29-15-25(2)27(4)26(3)16-29/h13-23H,1-12H3


key: InChI
value:
  InChI=1S/C36H32F2N4O2S3/c1-17-9-10-19(11-18(17)2)27-29-26(45-7)16-47-36(29)28(20-12-23(38)35(46-8)25(13-20)43-5)30-33(27)41(3)32(34(30)44-6)22-14-21(37)15-24-31(22)40-42(4)39-24/h9-16H,1-8H3


key: InChI
value:
  InChI=1S/C34H27FN2O2S5/c1-16-7-18(10-21(8-16)38-3)28-23-13-25(30-31-24(36-39-37-31)14-26(41-5)33(30)42-6)44-32(23)29(27-17(2)15-43-34(27)28)19-9-20(35)12-22(11-19)40-4/h7-15H,1-6H3


key: InChI
value:
  InChI=1S/C30H16F2O4SSe3Si/c1-11-5-13-14(7-16(11)35-2)25(34)23-22(24(13)33)28(40-29(23)19-6-12(31)10-38-19)17-8-15(32)27(37-17)18-9-21-30(39-18)26-20(41-21)3-4-36-26/h3-10H,41H2,1-2H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)c1cc(c(s1)c1sc2c(c(c3c(c2c2ccc(s2)F)c(cs3)SC)c2cc(c(s2)OC)C)c1)OC	


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1cc(c(s1)c1cc2c(s1)c(c1ccc(s1)F)c1c(c2c2cc(c(s2)OC)C)scc1SC)OC)c1occ(c1)F	


key: InChI
value:
  InChI=1S/C43H26F2O7S6/c1-17-10-26(58-43(17)50-4)31-22-13-28(57-40(22)32(25-8-9-30(45)55-25)33-29(53-5)16-54-42(31)33)41-24(49-3)14-27(56-41)39-35-34(38(52-39)23-11-18(44)15-51-23)36(46)20-7-6-19(48-2)12-21(20)37(35)47/h6-16H,1-5H3


key: InChI
value:
  InChI=1S/C30H16F2GeO5S2Se2/c1-36-17-6-12-13(7-20(17)39-2)25(35)22-23(24(12)34)30(21-5-11(31)10-41-21)42-29(22)19-8-14(32)26(38-19)18-9-16-27(37-18)28-15(33-16)3-4-40-28/h3-10H,33H2,1-2H3


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)C1=C([C@@H]([C@@]2(N1C2)c1sc2c(c(c3c(c2c2ccc(s2)F)c(cs3)SC)c2cc(c(s2)OC)C)c1)C)SC	


key: CAN_SMILES
value:
  CSC1=C(c2c(C)cc(c3c2nsn3)c2occ(c2F)SC)N2[C@@]([C@H]1C)(C2)c1sc2c(c1)c(c1sc(c(c1)C)OC)c1c(c2c2ccc(s2)F)c(SC)cs1	


key: InChI
value:
  InChI=1S/C40H31F2N3O2S8/c1-16-10-20(35-31(42)23(48-5)13-47-35)32-33(44-55-43-32)27(16)34-36(50-7)18(3)40(15-45(34)40)25-12-19-28(22-11-17(2)39(46-4)53-22)38-30(24(49-6)14-51-38)29(37(19)54-25)21-8-9-26(41)52-21/h8-14,18H,15H2,1-7H3/t18-,40+,45-/m0/s1


key: InChI
value:
  InChI=1S/C32H22FNO4S2Se3/c1-34-14-15(39-4)10-19(34)22-7-8-23(40-22)30-21(38-3)13-25(42-30)32-27-26(31(43-32)24-6-5-9-41-24)28(35)16-11-18(33)20(37-2)12-17(16)29(27)36/h5-14H,1-4H3


key: InChI
value:
  InChI=1S/C29H27FN4O2S3/c1-14-10-17(28-23(30)21(37-5)13-35-28)24-25(33-39-32-24)22(14)26-29(38-6)16(3)18(12-31-26)27-15(2)11-20(36-27)19-8-7-9-34(19)4/h7-11,13,18H,12H2,1-6H3/t18-/m1/s1


key: InChI
value:
  InChI=1S/C29H26FN3O2S5/c1-13-8-9-38-27(13)18-11-17(34-5)29(39-18)24-15(3)28(37-7)25(33(24)4)20-14(2)10-16(22-23(20)32-40-31-22)26-21(30)19(36-6)12-35-26/h8-12H,1-7H3


key: SMILES
value:
  c1(c2c(c([se]1)c1ccc[se]1)C(=O)c1c(C2=O)cc(c(c1)F)OC)c1cc(c([se]1)c1oc2c(c(c3c(c2)c(cn3C)F)F)c1F)OC	


key: InChI
value:
  InChI=1S/C33H17F4NO5Se3/c1-38-11-16(35)14-9-18-22(25(36)27(14)38)26(37)30(43-18)31-19(42-3)10-21(45-31)33-24-23(32(46-33)20-5-4-6-44-20)28(39)12-7-15(34)17(41-2)8-13(12)29(24)40/h4-11H,1-3H3


key: InChI
value:
  InChI=1S/C27H22FN3OS4SeSi/c1-11-8-13(24-19(28)14(33-4)10-32-24)20-21(30-36-29-20)18(11)23-25(34-5)12(2)22(31(23)3)15-9-17-27(37-15)26-16(38-17)6-7-35-26/h6-10H,38H2,1-5H3


key: InChI
value:
  InChI=1S/C27H24F2N4O3S4/c1-11-9-32(2)18-23(11)40-27(26(18)38-7)22-21(35-5)20(34-4)19(36-22)15-13(28)8-12(16-17(15)31-33(3)30-16)24-25(37-6)14(29)10-39-24/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C34H31F2N3O2S5/c1-16-15-39(2)29-31(16)46-33(34(29)45-8)25-28-21(14-24(43-6)30(25)41-4)37-27(18-11-19(35)32(44-7)20(36)12-18)26(38-28)17-9-10-22(40-3)23(13-17)42-5/h9-15H,1-8H3


key: InChI
value:
  InChI=1S/C27H21F2N3O3S5/c1-32-30-19-12(25-26(37-5)14(29)11-39-25)9-13(28)18(20(19)31-32)22-24(34-3)23(33-2)21(35-22)16-10-17(36-4)27(40-16)15-7-6-8-38-15/h6-11H,1-5H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)OC)c1c(c2c(c(co2)C)n1C)SC)C)SC)c1c(c2c(s1)c(c(n2C)c1ccc(c2cc(cn2C)OC)o1)SC)F	


key: InChI
value:
  InChI=1S/C39H38FN5O5S4/c1-17-16-49-32-28(17)44(4)30(35(32)52-10)23-18(2)33(51-9)24(27-26(23)41-38(47-7)39(42-27)48-8)34-25(40)31-37(54-34)36(53-11)29(45(31)5)22-13-12-21(50-22)20-14-19(46-6)15-43(20)3/h12-16H,1-11H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)OC)SC)c1cc(c(c(c1)F)OC)F)c1c(c2c(c(cs2)F)n1C)OC)SC)OC)c1c(c2c(s1)c(c(n2C)c1c(c2c(c3c(cc2n1C)c(cs3)F)SC)SC)SC)OC	


key: CAN_SMILES
value:
  COc1c(F)cc(cc1F)c1nc2c(nc1c1cc(C)c(c(c1)SC)OC)c(c(c(c2c1sc2c(c1OC)n(c(c2SC)c1c(SC)c2c(n1C)cc1c(c2SC)scc1F)C)OC)SC)c1c(OC)c2c(n1C)c(cs2)F	


key: InChI
value:
  InChI=1S/C56H49F4N5O5S8/c1-22-15-23(18-31(71-10)44(22)66-5)35-36(24-16-26(57)45(67-6)27(58)17-24)62-38-34(46(68-7)51(73-12)33(37(38)61-35)40-47(69-8)54-39(64(40)3)29(60)21-77-54)52-48(70-9)43-56(78-52)55(75-14)42(65(43)4)41-50(72-11)32-30(63(41)2)19-25-28(59)20-76-49(25)53(32)74-13/h15-21H,1-14H3


key: InChI
value:
  InChI=1S/C28H22F2N4O5S3/c1-33-14(8-15-20(33)24-22(38-15)16(40-5)9-37-24)21-25(35-3)26(36-4)23(39-21)17-12(29)7-11(18-19(17)32-34(2)31-18)27-28(41-6)13(30)10-42-27/h7-10H,1-6H3


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)c(co3)OC)c2cc(c(c(c2)F)C)F)c1SC)F	


key: CAN_SMILES
value:
  COc1c(F)csc1c1c(SC)c(F)c(c2c1non2)c1oc(cc1F)c1oc2c(c1SC)c(c1cc(F)c(c(c1)F)C)c1c(c2c2cc(C)c(c(c2)C)C)c(OC)co1	


key: InChI
value:
  InChI=1S/C44H31F5N2O6S3/c1-16-9-20(10-17(2)18(16)3)28-30-27(52-5)14-54-40(30)29(21-11-22(45)19(4)23(46)12-21)31-41(28)56-39(43(31)59-8)26-13-24(47)37(55-26)32-34(49)42(58-7)33(36-35(32)50-57-51-36)44-38(53-6)25(48)15-60-44/h9-15H,1-8H3


key: SMILES
value:
  c1(ccc(c2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1cc(c(c(c1)C)OC)OC)c1cc(cn1C)SC)c1c(c(c(n1C)c1oc2c3sccc3[nH]c2c1)C)C	


key: CAN_SMILES
value:
  CSc1cc(n(c1)C)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1n(C)c(c(c1C)C)c1cc2c(o1)c1c([nH]2)ccs1	


key: InChI
value:
  InChI=1S/C45H39F2N5O3S3/c1-21-14-24(17-35(53-6)42(21)54-7)36-37(25-15-29(46)44(57-9)30(47)16-25)49-38-27(33-18-26(56-8)20-51(33)4)10-11-28(39(38)50-36)40-22(2)23(3)41(52(40)5)34-19-32-43(55-34)45-31(48-32)12-13-58-45/h10-20,48H,1-9H3


key: InChI
value:
  InChI=1S/C26H18F3N3O3S4/c1-32-9-11(36-3)7-14(32)16-5-6-17(39-16)15-8-12(27)23(34-15)18-20(29)25(37-4)19(22-21(18)30-35-31-22)26-24(33-2)13(28)10-38-26/h5-10H,1-4H3


key: InChI
value:
  InChI=1S/C32H22FNO7S/c1-15-10-21(20-6-5-9-34(20)2)40-29(15)32-23(38-4)13-24(42-32)31-26-25(30(41-31)22-11-16(33)14-39-22)27(35)18-8-7-17(37-3)12-19(18)28(26)36/h5-14H,1-4H3


key: InChI
value:
  InChI=1S/C18H12FN3OS3/c1-24-17-18(25-2)22-14-9(5-8(19)6-11(14)21-17)13-7-12-15(23-13)16-10(20-12)3-4-26-16/h3-7,20H,1-2H3


key: InChI
value:
  InChI=1S/C36H26F4N2O5S2/c1-15-14-46-33-23(15)35(45-4)36-24(28(33)39)29(40)34(47-36)25-27(38)22(49-6)13-19-32(25)42-31(17-11-20(44-3)26(37)21(12-17)48-5)30(41-19)16-8-7-9-18(10-16)43-2/h7-14H,1-6H3


key: InChI
value:
  InChI=1S/C32H24F2N2O3SeSi/c1-15-11-17(5-7-19(15)33)28-29(18-6-8-21(37-3)16(2)12-18)36-30-20(35-28)13-22(38-4)27(34)26(30)23-14-25-32(40-23)31-24(41-25)9-10-39-31/h5-14H,41H2,1-4H3


key: InChI
value:
  InChI=1S/C32H27F2N3OS4/c1-16-15-37(2)28-30(16)42-31(32(28)41-6)24-20(34)10-11-21-27(24)36-25(17-8-7-9-19(33)12-17)26(35-21)18-13-22(39-4)29(38-3)23(14-18)40-5/h7-15H,1-6H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cc(cc(c1)C)F)c1c(c2c(s1)c(cs2)F)F)SC)OC)c1c(c2c(c(c(s2)c2c(cc(c3cccn3C)o2)C)F)n1C)F	


key: CAN_SMILES
value:
  COc1c(SC)c(c2c(c1c1n(C)c3c(c1F)sc(c3F)c1oc(cc1C)c1cccn1C)nc(c(n2)c1cc(OC)c(c(c1)SC)F)c1cc(C)cc(c1)F)c1sc2c(c1F)scc2F	


key: InChI
value:
  InChI=1S/C48H34F6N4O3S5/c1-19-12-21(15-23(49)13-19)35-36(22-16-27(59-5)31(51)28(17-22)62-7)56-38-30(44-34(54)48-43(65-44)24(50)18-64-48)45(63-8)42(60-6)29(37(38)55-35)39-32(52)46-40(58(39)4)33(53)47(66-46)41-20(2)14-26(61-41)25-10-9-11-57(25)3/h9-18H,1-8H3


key: InChI
value:
  InChI=1S/C31H26F2N4O4S2/c1-13-11-39-30-26-16(41-27(13)30)10-15(36(26)3)25-28(38-5)14(2)24(37(25)4)18-20(32)21(33)19(23-22(18)34-8-9-35-23)29-31(43-7)17(42-6)12-40-29/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C34H35F2N5O2S3/c1-16-24(27-28(38-34(36)18(3)37-27)25(32(16)45-10)33-26(35)23(44-9)15-46-33)29-17(2)31(43-8)30(41(29)6)21-12-11-20(40(21)5)22-13-19(42-7)14-39(22)4/h11-15H,1-10H3


key: InChI
value:
  InChI=1S/C32H30F2N4O2S4/c1-15-13-18(27-17(41-6)9-12-37(27)3)44-31(15)28-29(39-5)16(2)26(38(28)4)20-22(33)23(34)21(25-24(20)35-10-11-36-25)30-32(43-8)19(42-7)14-40-30/h9-14H,1-8H3


key: InChI
value:
  InChI=1S/C31H25F4N3O3S5/c1-12-31(35)37-21-17(29(43-6)30(44-7)18(22(21)36-12)28-25(40-4)13(32)11-46-28)24-20(34)19(33)23(38(24)2)14-10-15(39-3)26(41-14)27-16(42-5)8-9-45-27/h8-11H,1-7H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)OC)c1c(c(co1)C)SC)OC)C)c1c(c(c(o1)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC)F)C	


key: CAN_SMILES
value:
  COc1nc2c(c3oc(c(c3C)F)c3c(OC)c4c(n3C)c(c3ccc(c(c3)C)C)c3c(c4c4cc(F)c(c(c4)OC)SC)scc3SC)c(C)c(c(c2nc1C)c1occ(c1SC)C)OC	


key: InChI
value:
  InChI=1S/C52H49F2N3O6S4/c1-22-15-16-28(17-23(22)2)34-36-32(64-12)21-67-51(36)35(29-18-30(53)50(66-14)31(19-29)58-8)37-42(34)57(7)43(46(37)60-10)48-39(54)26(5)45(63-48)33-25(4)44(59-9)38(47-49(65-13)24(3)20-62-47)41-40(33)56-52(61-11)27(6)55-41/h15-21H,1-14H3


key: InChI
value:
  InChI=1S/C30H28F2N4O5S2/c1-13-22(35(2)24(26(13)38-5)25-28(39-6)29-23(36(25)3)14(37-4)11-40-29)16-18(31)19(32)17(21-20(16)33-9-10-34-21)27-30(43-8)15(42-7)12-41-27/h9-12H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)OC)c1c(c(co1)C)SC)OC)C)c1c(c(c(o1)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)F)C	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)csc2c(c2c1n(C)c(c2C)c1oc(c(c1F)C)c1c(C)c(OC)c(c2c1nc(OC)c(n2)C)c1occ(c1SC)C)c1cc(c(s1)C)F	


key: InChI
value:
  InChI=1S/C46H41F2N3O4S6/c1-18-16-54-42(44(18)58-12)34-37-36(50-46(53-9)22(5)49-37)30(20(3)40(34)52-8)41-21(4)35(48)43(55-41)38-19(2)29-32(26-15-24(47)23(6)60-26)45-33(27(56-10)17-59-45)31(39(29)51(38)7)25-13-14-28(57-11)61-25/h13-17H,1-12H3


key: InChI
value:
  InChI=1S/C18H17N3O3S2/c1-21-9-10(25-4)7-12(21)14-5-6-15(26-14)16-17-11(19-24-20-17)8-13(22-2)18(16)23-3/h5-9H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cc(cc(c1)C)F)c1c(c2c(s1)c(cs2)F)F)SC)OC)c1c(c2c(c(c(s2)c2ccc(c3cc(co3)SC)s2)F)n1C)F	


key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
  InChI=1S/C18H12FN3OS2Se/c1-24-17-18(25-2)22-14-9(5-8(19)6-11(14)21-17)13-7-12-15(23-13)16-10(20-12)3-4-26-16/h3-7,20H,1-2H3


key: InChI
value:
  InChI=1S/C27H25FN4O3S3/c1-12-10-14(24-18(28)16(36-6)11-35-24)19-20(30-38-29-19)17(12)22-27(37-7)13(2)21(32(22)4)23-26(33-5)25-15(31(23)3)8-9-34-25/h8-11H,1-7H3


key: InChI
value:
  InChI=1S/C35H26F3N3S4/c1-17-26(42-3)15-24-31(40-29(18-9-7-6-8-10-18)30(39-24)19-11-12-21(36)22(37)13-19)27(17)32-34(43-4)28-25(41(32)2)14-20-23(38)16-45-33(20)35(28)44-5/h6-16H,1-5H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1cc(oc1C)c1c2oc(c(c2c(c2c1ccs2)c1cc(c(n1C)F)OC)OC)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)cc(c1OC)C	


key: InChI
value:
  InChI=1S/C43H39F2N5O6S2/c1-18-14-23(35-36(52-9)19(2)17-48(35)5)33-34(47-50(7)46-33)28(18)37-20(3)32(44)40(55-37)41-39(53-10)31-30(24-15-26(51-8)43(45)49(24)6)42-22(12-13-58-42)29(38(31)56-41)25-16-27(57-11)21(4)54-25/h12-17H,1-11H3


key: SMILES
value:
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key: CAN_SMILES
value:
  COc1cc2nc(c3ccc(c(c3)C)F)c(nc2c(c1F)c1cc2c(n1C)c(c1cc(c(n1C)F)SC)c1c(c2c2cc(c(o2)F)OC)scc1)c1ccc(c(c1)C)OC	


key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C43H34F2N4O3S2Se2/c1-20-15-22(10-11-24(20)44)34-35(23-17-25(45)38(51-5)29(18-23)50-4)48-37-33(41(53-7)39(52-6)32(36(37)47-34)28-9-8-13-49(28)3)30-16-21(2)40(54-30)31-19-27-43(56-31)42-26(46-27)12-14-55-42/h8-19,46H,1-7H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1cc(c(c2c(ccn2C)F)s1)SC)C	


key: CAN_SMILES
value:
  CSc1c(c2sc(c(c2)C)c2cc(c(s2)c2n(C)ccc2F)SC)c2nc(c3cc(F)c(c(c3)OC)OC)c(nc2c(c1OC)c1cccn1C)c1ccc(c(c1)C)F	


key: InChI
value:
  InChI=1S/C45H39F3N4O3S4/c1-22-17-24(12-13-26(22)46)36-37(25-19-28(48)41(54-6)30(20-25)53-5)50-39-35(45(57-9)42(55-7)34(38(39)49-36)29-11-10-15-51(29)3)31-18-23(2)43(58-31)33-21-32(56-8)44(59-33)40-27(47)14-16-52(40)4/h10-21H,1-9H3


key: SMILES
value:
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key: CAN_SMILES
value:
  COc1cn(c(c1)c1ccc(n1C)c1c(SC)c(c(n1C)c1c(OC)c(C)c(c2c1nc(c1cc(C)c(c(c1)SC)F)c(n2)c1cc(OC)c(c(c1)SC)OC)c1occc1OC)C)C	


key: InChI
value:
  InChI=1S/C50H52FN5O6S3/c1-25-19-28(21-36(63-12)40(25)51)41-42(29-20-35(59-9)48(61-11)37(22-29)64-13)52-43-38(49-34(58-8)17-18-62-49)26(2)47(60-10)39(44(43)53-41)45-27(3)50(65-14)46(56(45)6)32-16-15-31(55(32)5)33-23-30(57-7)24-54(33)4/h15-24H,1-14H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1cn(c(c1)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1n(C)c(c(c1C)C)c1c(OC)c2c(n1C)cco2)C	


key: InChI
value:
  InChI=1S/C45H43F2N5O4S2/c1-22-16-25(19-34(53-7)42(22)54-8)35-36(26-17-30(46)45(58-11)31(47)18-26)48-37-28(33-20-27(57-10)21-50(33)4)12-13-29(38(37)49-35)39-23(2)24(3)40(52(39)6)41-44(55-9)43-32(51(41)5)14-15-56-43/h12-21H,1-11H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3oc4c(c3F)c(C)c3c(c4C)c(C)co3)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


key: InChI
value:
  InChI=1S/C50H45F2N3O5S4/c1-22-15-27(16-23(2)38(22)51)40-41(28-17-29(56-7)19-30(18-28)61-9)53-42-36(49(63-11)50(64-12)37(43(42)54-40)44-48(62-10)33(57-8)20-55(44)6)31-13-14-32(59-31)47-39(52)35-26(5)45-34(24(3)21-58-45)25(4)46(35)60-47/h13-21H,1-12H3


key: InChI
value:
  InChI=1S/C19H15F2N3S2/c1-10-9-22-17-13(23-10)5-4-11(20)16(17)14-8-15(25-3)19(26-14)18-12(21)6-7-24(18)2/h4-9H,1-3H3


key: InChI
value:
  InChI=1S/C36H34FN5O2S6/c1-15-11-12-48-31(15)19-13-18(43-7)33(49-19)29-17(3)32-30(44-29)36(47-10)34(50-32)22-23(37)16(2)21(24-25(22)39-42(6)38-24)27-35(46-9)28-26(41(27)5)20(45-8)14-40(28)4/h11-14H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
  COc1ccoc1c1c(C)c(OC)c(c2c1nc(c1cc(OC)c(c(c1)SC)OC)c(n2)c1cc(C)c(c(c1)SC)F)c1c(C)c(c(n1C)c1sc2c(c1)oc1c2occ1F)SC	


key: InChI
value:
  InChI=1S/C47H41F2N3O7S4/c1-20-14-23(16-29(60-9)34(20)49)35-36(24-15-27(54-6)43(56-8)31(17-24)61-10)50-37-32(44-26(53-5)12-13-57-44)21(2)41(55-7)33(38(37)51-35)39-22(3)46(62-11)40(52(39)4)30-18-28-47(63-30)45-42(59-28)25(48)19-58-45/h12-19H,1-11H3


key: SMILES
value:
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key: CAN_SMILES
value:
  COc1c(c2nn(nc2c(c1SC)c1n(C)c2c(c1SC)scc2)C)c1n(C)c2c(c1F)oc(c2C)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1	


key: InChI
value:
  InChI=1S/C51H42F3N5O4S4/c1-21-12-14-25(15-13-21)32-30-23(3)43(62-45(30)31(33-29(60-8)20-67-49(32)33)26-18-22(2)36(53)27(52)19-26)44-24(4)40-47(63-44)37(54)41(58(40)6)34-38-39(56-59(7)55-38)35(50(64-10)46(34)61-9)42-51(65-11)48-28(57(42)5)16-17-66-48/h12-20H,1-11H3


key: InChI
value:
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key: InChI
value:
  InChI=1S/C21H20FN3S5/c1-25-10-11(26-2)8-13(25)14-6-7-15(30-14)17-18-12(9-16(27-3)19(17)28-4)23-20(22)21(24-18)29-5/h6-10H,1-5H3


key: InChI
value:
  InChI=1S/C21H19FN2OS5/c1-10-6-7-29-17(10)14-9-12(25-2)18(30-14)15-16-11(8-13(26-3)19(15)27-4)23-20(22)21(24-16)28-5/h6-9H,1-5H3


key: InChI
value:
  InChI=1S/C37H30F3N3O3S3/c1-17-12-18(8-9-24(17)44-3)27-20-10-11-43(2)33(20)28(19-13-21(38)34(46-5)22(39)14-19)29-35(27)49-37(36(29)48-7)30-31(40)25(45-4)15-23-32(30)41-16-26(42-23)47-6/h8-16H,1-7H3


key: InChI
value:
  InChI=1S/C33H28F2N4O4S3/c1-38-18(26-20(40-3)9-8-17-27(26)37-33(45-7)32(36-17)42-5)12-16-25(21-14-22(41-4)31(35)43-21)29-15(10-11-46-29)24(28(16)38)19-13-23(44-6)30(34)39(19)2/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C32H24F2N2OS8/c1-13-9-17(45-32(13)37-2)22-14-10-18(25-26-15(11-19(38-3)28(25)40-5)35-30(34)31(36-26)41-6)44-27(14)23(16-7-8-21(33)43-16)24-20(39-4)12-42-29(22)24/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C19H12F2N2OS5/c1-25-10-4-8-13(23-19(27-3)18(21)22-8)12(16(10)26-2)9-5-11-17(28-9)14-15(29-11)7(20)6-24-14/h4-6H,1-3H3


key: InChI
value:
  InChI=1S/C21H19F2N3S5/c1-26-7-6-10(22)17(26)19-14(28-3)9-12(31-19)15-16-11(8-13(27-2)18(15)29-4)24-20(23)21(25-16)30-5/h6-9H,1-5H3


key: InChI
value:
  InChI=1S/C20H20FN3OS4/c1-9-8-29-18-14(9)24(2)15(16(18)25-3)12-13-10(7-11(26-4)17(12)27-5)22-19(21)20(23-13)28-6/h7-8H,1-6H3


key: InChI
value:
  InChI=1S/C38H31F3N2O3S3/c1-16-9-20(10-17(2)18(16)3)28-30-27(44-5)15-45-34(30)29(21-11-24(40)19(4)25(41)12-21)31-35(28)46-33(36(31)47-6)23-13-22(39)14-26-32(23)43-38(49-8)37(42-26)48-7/h9-15H,1-8H3


key: InChI
value:
  InChI=1S/C24H21F2N3S6/c1-29-13-7-10-11(25)9-35-19(10)22(33-5)15(13)21(32-4)18(29)16-17-12(8-14(30-2)20(16)31-3)27-23(26)24(28-17)34-6/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C26H26FN3O2S4/c1-11-10-30(3)19-15(11)21(32-5)24-16(20(19)31-4)12(2)22(36-24)17-18-13(9-14(33-6)23(17)34-7)28-25(27)26(29-18)35-8/h9-10H,1-8H3


key: InChI
value:
  InChI=1S/C19H13FN2O3S3/c1-23-10-5-4-9-14(22-19(26-3)18(21-9)24-2)13(10)11-6-12-17(27-11)15-16(28-12)8(20)7-25-15/h4-7H,1-3H3


key: InChI
value:
  InChI=1S/C34H29F2N3O4S5/c1-14-20(44-5)13-18(42-14)22-15-9-10-48-30(15)23(17-12-19(40-3)33(36)39(17)2)24-27(22)43-29(28(24)41-4)25-26-16(11-21(45-6)31(25)46-7)37-32(35)34(38-26)47-8/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C32H25FN2O3S6/c1-14-11-19(44-32(14)38-4)23-15-12-20(24-17(36-2)8-7-16-27(24)35-31(40-6)30(34-16)37-3)43-28(15)25(18-9-10-22(33)42-18)26-21(39-5)13-41-29(23)26/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C22H24N4O3S/c1-25-12-13(27-3)11-17(25)15-8-9-16(26(15)2)19-18(28-4)10-7-14-20(19)24-22(30-6)21(23-14)29-5/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C21H19N3O4S/c1-10-9-27-19-17-14(28-18(10)19)8-12(24(17)2)15-13(25-3)7-6-11-16(15)23-21(29-5)20(22-11)26-4/h6-9H,1-5H3


key: InChI
value:
  InChI=1S/C34H29F2N3S8/c1-14-23-25(19-11-16(35)15(2)46-19)32-26(21(41-5)13-45-32)24(18-9-10-22(42-6)47-18)30(23)39(3)29(14)27-28-17(12-20(40-4)31(27)43-7)37-33(36)34(38-28)44-8/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C27H24F2N4O2S4/c1-11-10-38-26-19(11)33(4)21(22(26)34-5)27-24(36-6)12(2)23(39-27)16-14(28)8-13(17-18(16)31-35-30-17)20-25(37-7)15(29)9-32(20)3/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C31H22F2N2O2S2SeSi/c1-36-29-21(38-2)12-16(13-22(29)39-3)27-26(15-5-4-6-17(32)11-15)35-28-19(34-27)8-7-18(33)25(28)20-14-24-30(37-20)31-23(41-24)9-10-40-31/h4-14H,41H2,1-3H3


key: InChI
value:
  InChI=1S/C30H29FN4OS5/c1-14-11-17(28-22(31)20(38-7)13-36-28)23-24(33-41-32-23)21(14)27-30(39-8)16(3)25(35(27)5)29-15(2)12-19(40-29)26-18(37-6)9-10-34(26)4/h9-13H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)OC)C)c1cc(cc(c1)C)C)c1c(c2c(c(cs2)SC)n1C)F)C)SC)c1cc2c(s1)c(c(n2C)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)ccs3)c2cc(c(F)n2C)OC)c1OC)F	


key: CAN_SMILES
value:
  COc1cc(ccc1C)c1nc2c(nc1c1cc(C)cc(c1)C)c(c1sc3c(c1)n(c(c3F)c1oc3c(c1OC)c(c1cc(c(n1C)F)OC)c1c(c3c3cc(c(o3)C)SC)ccs1)C)c(c(c2c1c(F)c2c(n1C)c(cs2)SC)C)SC	


key: InChI
value:
  InChI=1S/C64H54F3N5O5S6/c1-27-19-28(2)21-33(20-27)51-50(32-16-15-29(3)37(22-32)73-9)68-52-43(55-48(65)63-54(72(55)8)42(79-13)26-82-63)30(4)60(80-14)46(53(52)69-51)41-24-36-62(83-41)49(66)56(70(36)6)59-58(75-11)47-45(35-23-39(74-10)64(67)71(35)7)61-34(17-18-81-61)44(57(47)77-59)38-25-40(78-12)31(5)76-38/h15-26H,1-14H3


key: SMILES
value:
  c1(c2c(c([se]1)c1ccc[se]1)C(=O)c1c(C2=O)cc(c(c1)F)OC)c1cc(c([se]1)c1sc2c(c(c3c(c2c2cc(c(cc2)OC)C)ccn3C)c2cc(c(c(c2)F)OC)F)c1SC)OC	


key: CAN_SMILES
value:
  COc1cc([se]c1c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)ccn1C)c1[se]c(c2c1C(=O)c1cc(OC)c(cc1C2=O)F)c1ccc[se]1	


key: InChI
value:
  InChI=1S/C49H34F3NO6S2Se3/c1-21-15-22(10-11-30(21)56-3)35-24-12-13-53(2)40(24)36(23-16-28(51)43(59-6)29(52)17-23)39-44(35)61-46(45(39)60-7)47-32(58-5)20-34(63-47)49-38-37(48(64-49)33-9-8-14-62-33)41(54)25-18-27(50)31(57-4)19-26(25)42(38)55/h8-20H,1-7H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cccc(c1)OC)c1cc(c(c(c1)OC)F)SC)SC)F)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)c(co3)OC)c2cc(c(c(c2)F)C)F)c1SC	


key: CAN_SMILES
value:
  COc1cccc(c1)c1nc2cc(SC)c(c(c2nc1c1cc(OC)c(c(c1)SC)F)c1oc2c(c1SC)c(c1cc(F)c(c(c1)F)C)c1c(c2c2cc(C)c(c(c2)C)C)c(OC)co1)F	


key: InChI
value:
  InChI=1S/C52H42F4N2O5S3/c1-23-14-28(15-24(2)25(23)3)39-41-36(61-7)22-62-49(41)40(29-17-32(53)26(4)33(54)18-29)42-50(39)63-51(52(42)66-10)43-45(56)38(65-9)21-34-48(43)58-47(30-19-35(60-6)44(55)37(20-30)64-8)46(57-34)27-12-11-13-31(16-27)59-5/h11-22H,1-10H3


key: InChI
value:
  InChI=1S/C33H25F2N3O3S3/c1-38-21(14-22-30(38)33-32(41-22)25(44-5)15-40-33)26-19(35)9-10-20-29(26)37-27(16-7-6-8-18(34)11-16)28(36-20)17-12-23(42-3)31(39-2)24(13-17)43-4/h6-15H,1-5H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cc(cc(c1)C)F)c1c(c2c(s1)c(cs2)F)F)SC)OC)c1c(c2c(c(c(s2)c2oc3c(c(c4c(c3C)c(co4)C)C)c2F)F)n1C)F	


key: CAN_SMILES
value:
  COc1cc(cc(c1F)SC)c1nc2c(nc1c1cc(C)cc(c1)F)c(c(c(c2c1sc2c(c1F)scc2F)SC)OC)c1c(F)c2c(n1C)c(c(s2)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1)F	


key: InChI
value:
  InChI=1S/C51H34F7N3O4S5/c1-17-10-21(12-23(52)11-17)36-37(22-13-25(62-6)31(54)26(14-22)66-8)60-39-30(47-35(58)51-46(69-47)24(53)16-68-51)48(67-9)44(63-7)29(38(39)59-36)40-33(56)49-41(61(40)5)34(57)50(70-49)45-32(55)28-20(4)42-27(18(2)15-64-42)19(3)43(28)65-45/h10-16H,1-9H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1c(cc(c2c(ccs2)C)s1)OC)SC)C	


key: CAN_SMILES
value:
  COc1cc(c2cc3c(s2)ccs3)c2c(c1c1sc3c(c1C)oc(c3SC)c1sc(cc1OC)c1sccc1C)nc(c(n2)c1cc(C)c(c(c1)SC)SC)c1cc(C)c(c(c1)F)OC	


key: InChI
value:
  InChI=1S/C50H41FN2O4S8/c1-22-11-13-62-46(22)36-20-31(55-6)48(64-36)44-49(60-10)50-43(57-44)25(4)47(65-50)37-30(54-5)19-28(33-21-34-32(63-33)12-14-61-34)40-41(37)53-38(26-15-23(2)42(56-7)29(51)17-26)39(52-40)27-16-24(3)45(59-9)35(18-27)58-8/h11-21H,1-10H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1[se]c2c3[se]ccc3[nH]c2c1)SC)C	


key: CAN_SMILES
value:
  COc1cc(c2cc3c(s2)ccs3)c2c(c1c1sc3c(c1C)oc(c3SC)c1cc3c([se]1)c1c([nH]3)cc[se]1)nc(c(n2)c1cc(C)c(c(c1)SC)SC)c1cc(C)c(c(c1)F)OC	


key: InChI
value:
  InChI=1S/C48H36FN3O3S6Se2/c1-20-13-23(15-26(49)40(20)54-5)36-37(24-14-21(2)43(57-7)33(16-24)56-6)51-38-25(31-19-32-30(60-31)9-11-59-32)17-29(53-4)35(39(38)52-36)44-22(3)41-46(61-44)45(58-8)42(55-41)34-18-28-48(63-34)47-27(50-28)10-12-62-47/h9-19,50H,1-8H3


key: InChI
value:
  InChI=1S/C35H29F2N3O3S4/c1-16-12-17(8-9-23(16)41-3)25-19-10-11-40(2)30(19)26(18-13-20(36)31(42-4)21(37)14-18)27-33(25)47-35(34(27)46-7)28-29-22(38-43-39-29)15-24(44-5)32(28)45-6/h8-15H,1-7H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1oc2c3sccc3[GeH2]c2c1)SC)C	


key: CAN_SMILES
value:
  COc1cc(c2cc3c(s2)ccs3)c2c(c1c1sc3c(c1C)oc(c3SC)c1cc3c(o1)c1c([GeH2]3)ccs1)nc(c(n2)c1cc(C)c(c(c1)SC)SC)c1cc(C)c(c(c1)F)OC	


key: InChI
value:
  InChI=1S/C48H37FGeN2O4S7/c1-20-13-23(15-26(49)40(20)54-5)36-37(24-14-21(2)44(58-7)34(16-24)57-6)51-38-25(32-19-33-31(62-32)10-12-60-33)17-29(53-4)35(39(38)52-36)45-22(3)41-48(63-45)47(59-8)43(56-41)30-18-28-42(55-30)46-27(50-28)9-11-61-46/h9-19H,50H2,1-8H3


key: InChI
value:
  InChI=1S/C36H31N5O4S3/c1-15-25(30-16(2)33-31(41(30)5)22(42-6)14-44-33)28-27(37-13-24(39-28)46-8)26(32(15)43-7)23-12-20-35(48-23)17(3)29(40(20)4)21-11-19-34(45-21)36-18(38-19)9-10-47-36/h9-14,38H,1-8H3


key: InChI
value:
  InChI=1S/C30H15F2NO3SSe4/c1-11-5-13-14(7-18(11)36-2)25(35)23-22(24(13)34)29(41-30(23)21-6-12(31)10-39-21)19-8-15(32)26(37-19)20-9-17-28(40-20)27-16(33-17)3-4-38-27/h3-10,33H,1-2H3


key: InChI
value:
  InChI=1S/C38H36N4O5S4/c1-17-27(32-18(2)35-33(42(32)5)23(44-7)16-46-35)30-29(39-15-26(40-30)49-10)28(34(17)45-8)25-13-20-37(51-25)19(3)31(41(20)4)21-14-22(43-6)36(47-21)38-24(48-9)11-12-50-38/h11-16H,1-10H3


key: SMILES
value:
  c1(c2c(c([se]1)c1ccc[se]1)C(=O)c1c(C2=O)cc(c(c1)F)OC)c1cc(c([se]1)c1sc2c(c(c3c(c2OC)c(cn3C)C)OC)c1C)OC	


key: InChI
value:
  InChI=1S/C37H28FNO6SSe3/c1-15-14-39(3)28-24(15)32(45-7)34-25(31(28)44-6)16(2)33(46-34)35-21(43-5)13-23(48-35)37-27-26(36(49-37)22-9-8-10-47-22)29(40)17-11-19(38)20(42-4)12-18(17)30(27)41/h8-14H,1-7H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)F)C(=O)c1c(scc1C2=O)C)c1cc(c(s1)c1sc2c(c(c3c(c2c2cc(c(cc2)OC)C)ccn3C)c2cc(c(c(c2)F)OC)F)c1SC)SC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)ccn1C)c1oc(c2c1C(=O)c1csc(c1C2=O)C)c1scc(c1)F	


key: InChI
value:
  InChI=1S/C47H32F3NO5S6/c1-19-12-21(8-9-28(19)54-4)33-24-10-11-51(3)38(24)34(22-13-26(49)41(55-5)27(50)14-22)37-45(33)62-47(46(37)58-7)44-31(57-6)16-30(61-44)43-35-36(42(56-43)29-15-23(48)17-60-29)40(53)32-20(2)59-18-25(32)39(35)52/h8-18H,1-7H3


key: InChI
value:
  InChI=1S/C34H26F2N2O5S/c1-15-7-9-18(10-8-15)26-24-17(3)31(28-30-21(37-43-38-30)13-22(39-4)32(28)41-6)42-33(24)25(27-23(40-5)14-44-34(26)27)19-11-16(2)29(36)20(35)12-19/h7-14H,1-6H3


key: InChI
value:
  InChI=1S/C31H18F2O4S2Se2/c1-13-7-16-17(10-19(13)36-3)27(35)25-24(26(16)34)30(41-31(25)23-9-15(32)12-40-23)22-11-18(33)29(39-22)28-14(2)8-20(37-28)21-5-4-6-38-21/h4-12H,1-3H3


key: InChI
value:
  InChI=1S/C29H19F5N4O2S3/c1-10-26(17-13(30)6-12(21-22(17)36-40-35-21)24-28(42-5)15(32)9-38(24)3)43-29(27(10)41-4)25-20(34)18-16(39-25)7-11-14(31)8-37(2)23(11)19(18)33/h6-9H,1-5H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cc(cc(c1)C)F)c1c(c2c(s1)c(cs2)F)F)SC)OC)c1c(c2c(c(c(s2)c2cc3c(c4c(c(co4)SC)o3)n2C)F)n1C)F	


key: CAN_SMILES
value:
  COc1cc(cc(c1F)SC)c1nc2c(nc1c1cc(C)cc(c1)F)c(c(c(c2c1sc2c(c1F)scc2F)SC)OC)c1c(F)c2c(n1C)c(c(s2)c1cc2c(n1C)c1c(o2)c(co1)SC)F	


key: InChI
value:
  InChI=1S/C48H32F6N4O4S6/c1-17-9-18(11-20(49)10-17)33-34(19-12-23(59-4)29(51)25(13-19)63-6)56-36-28(45-32(54)48-43(67-45)21(50)16-66-48)46(65-8)41(60-5)27(35(36)55-33)38-30(52)47-39(58(38)3)31(53)44(68-47)22-14-24-37(57(22)2)42-40(62-24)26(64-7)15-61-42/h9-16H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)OC)SC)c1cc(c(c(c1)F)OC)F)c1c(c2c(c(cs2)F)n1C)OC)SC)OC)c1c(c2c(s1)c(c(n2C)c1cc2c(c3c(c(co3)F)o2)s1)SC)OC	


key: CAN_SMILES
value:
  COc1c(F)cc(cc1F)c1nc2c(nc1c1cc(C)c(c(c1)SC)OC)c(c(c(c2c1sc2c(c1OC)n(c(c2SC)c1sc2c(c1)oc1c2occ1F)C)OC)SC)c1c(OC)c2c(n1C)c(cs2)F	


key: InChI
value:
  InChI=1S/C51H40F4N4O7S6/c1-19-12-20(15-28(67-9)39(19)60-4)31-32(21-13-22(52)40(61-5)23(53)14-21)57-34-30(42(62-6)47(68-10)29(33(34)56-31)37-43(63-7)49-35(58(37)2)25(55)18-70-49)48-44(64-8)38-51(72-48)50(69-11)36(59(38)3)27-16-26-46(71-27)45-41(66-26)24(54)17-65-45/h12-18H,1-11H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)OC)c1c(c(co1)C)SC)OC)C)c1c(c(c(o1)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1)F)C	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)c1oc(c(c1F)C)c1c(C)c(OC)c(c2c1nc(OC)c(n2)C)c1occ(c1SC)C	


key: InChI
value:
  InChI=1S/C49H42F2N2O5S4/c1-21-12-27(15-30(13-21)54-7)36-32-18-33(62-47(32)37(34-23(3)20-61-48(34)36)28-14-29(50)17-31(16-28)59-10)44-39(51)25(5)43(58-44)35-24(4)42(55-8)38(45-46(60-11)22(2)19-57-45)41-40(35)53-49(56-9)26(6)52-41/h12-20H,1-11H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1cc(c(c2cccs2)s1)SC)SC)C	


key: CAN_SMILES
value:
  COc1c(C)cc(cc1F)c1nc2c(c(OC)cc(c2nc1c1cc(C)c(c(c1)SC)SC)c1sc2c(c1)scc2)c1sc2c(c1C)oc(c2SC)c1cc(c(s1)c1cccs1)SC	


key: InChI
value:
  InChI=1S/C49H39FN2O3S9/c1-22-15-25(17-28(50)42(22)54-5)38-39(26-16-23(2)45(58-8)35(18-26)56-6)51-40-27(32-20-33-30(62-32)12-14-61-33)19-29(53-4)37(41(40)52-38)46-24(3)43-49(64-46)48(59-9)44(55-43)34-21-36(57-7)47(63-34)31-11-10-13-60-31/h10-21H,1-9H3


key: InChI
value:
  InChI=1S/C17H11FN2O3S4/c1-24-8-4-7-10(20-23-19-7)9(14(8)25-2)15-17(26-3)13-16(27-15)12-11(22-13)6(18)5-21-12/h4-5H,1-3H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C43H32F3N3O5S3/c1-19-13-21(10-11-23(19)44)33-34(22-15-24(45)37(51-5)27(16-22)50-4)48-36-32(43(55-7)39(52-6)31(35(36)47-33)26-9-8-12-49(26)3)29-14-20(2)41(56-29)30-17-28-42(57-30)40-38(54-28)25(46)18-53-40/h8-18H,1-7H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1cc2c(c3c(c(co3)SC)o2)n1C)C	


key: CAN_SMILES
value:
  CSc1c(c2cc(c(s2)c2cc3c(n2C)c2c(o3)c(co2)SC)C)c2nc(c3cc(F)c(c(c3)OC)OC)c(nc2c(c1OC)c1cccn1C)c1ccc(c(c1)C)F	


key: InChI
value:
  InChI=1S/C45H38F2N4O5S3/c1-21-15-23(12-13-25(21)46)35-36(24-17-26(47)40(53-6)30(18-24)52-5)49-38-34(45(58-9)42(54-7)33(37(38)48-35)27-11-10-14-50(27)3)31-16-22(2)44(59-31)28-19-29-39(51(28)4)43-41(56-29)32(57-8)20-55-43/h10-20H,1-9H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1c(cc(c2c(ccn2C)SC)s1)C)C	


key: CAN_SMILES
value:
  CSc1c(c2cc(c(s2)c2sc(cc2C)c2n(C)ccc2SC)C)c2nc(c3cc(F)c(c(c3)OC)OC)c(nc2c(c1OC)c1cccn1C)c1ccc(c(c1)C)F	


key: InChI
value:
  InChI=1S/C46H42F2N4O3S4/c1-23-18-26(13-14-28(23)47)37-38(27-21-29(48)42(54-7)31(22-27)53-6)50-40-36(46(57-10)43(55-8)35(39(40)49-37)30-12-11-16-51(30)4)33-19-24(2)44(58-33)45-25(3)20-34(59-45)41-32(56-9)15-17-52(41)5/h11-22H,1-10H3


key: InChI
value:
  InChI=1S/C32H24F2N2O2S3/c1-17-26(40-4)15-22-30(27(17)23-16-24(37-2)31(38-23)32-25(39-3)12-13-41-32)36-28(18-8-6-5-7-9-18)29(35-22)19-10-11-20(33)21(34)14-19/h5-16H,1-4H3


key: InChI
value:
  InChI=1S/C30H23F2N3O2S/c1-16-23(38-4)15-21-27(24(16)28-30(36-3)29-22(35(28)2)12-13-37-29)34-25(17-8-6-5-7-9-17)26(33-21)18-10-11-19(31)20(32)14-18/h5-15H,1-4H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cs1)F)SC)F)c1c(c(c(o1)c1sc2c(c(c3c(c2c2ccc(s2)F)c(cs3)SC)c2cc(c(s2)OC)C)c1)OC)OC	


key: CAN_SMILES
value:
  COc1c(oc(c1OC)c1c(F)cc(c2c1nn(n2)C)c1scc(c1SC)F)c1sc2c(c1)c(c1sc(c(c1)C)OC)c1c(c2c2ccc(s2)F)c(SC)cs1	


key: InChI
value:
  InChI=1S/C39H28F3N3O4S7/c1-15-10-21(56-39(15)48-5)25-16-12-22(55-35(16)27(20-8-9-24(42)54-20)28-23(50-6)14-53-38(25)28)31-33(46-3)34(47-4)32(49-31)26-18(40)11-17(29-30(26)44-45(2)43-29)36-37(51-7)19(41)13-52-36/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C32H27F2N3O4/c1-16-13-18(7-9-20(16)33)27-28(19-8-10-23(38-4)17(2)14-19)36-29-21(35-27)15-24(39-5)26(34)25(29)30-32(40-6)31-22(37(30)3)11-12-41-31/h7-15H,1-6H3


key: InChI
value:
  InChI=1S/C32H24F3N3S3/c1-17-24(39-3)15-23-30(27(17)25-16-26(40-4)32(41-25)31-21(34)12-13-38(31)2)37-28(18-8-6-5-7-9-18)29(36-23)19-10-11-20(33)22(35)14-19/h5-16H,1-4H3


key: InChI
value:
  InChI=1S/C29H20F3N3O4S4/c1-10-29(37-3)35-19-15(23-24(40-4)11(30)9-38-23)17(31)22(36-2)16(20(19)33-10)27-28(41-5)18(32)26(43-27)14-8-13-21(39-14)25-12(34-13)6-7-42-25/h6-9,34H,1-5H3


key: SMILES
value:
  c1(c2c(c([se]1)c1ccc[se]1)C(=O)c1c(C2=O)cc(c(c1)F)OC)c1cc(c([se]1)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F)OC	


key: CAN_SMILES
value:
  COc1cc([se]c1c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)occ1C)c1[se]c(c2c1C(=O)c1cc(OC)c(cc1C2=O)F)c1ccc[se]1	


key: InChI
value:
  InChI=1S/C47H36F2N2O5S3Se3/c1-19-13-28(59-21(19)3)34-35-38(49)40(51(5)39(35)33(32-20(2)18-56-43(32)34)25-16-29(57-8)47(58-9)50(25)4)44-27(55-7)17-31(61-44)46-37-36(45(62-46)30-11-10-12-60-30)41(52)22-14-24(48)26(54-6)15-23(22)42(37)53/h10-18H,1-9H3


key: InChI
value:
  InChI=1S/C33H26F2N2O3S4/c1-38-19-8-6-7-17(11-19)31-32(18-12-23(39-2)29(34)26(13-18)42-4)37-33-21(36-31)15-27(43-5)30(35)28(33)25-10-9-24(44-25)22-14-20(41-3)16-40-22/h6-16H,1-5H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1ccc(c(c1)C)F)c1ccc(c(c1)C)OC)OC)F)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)csc2c(c2c1n(C)c(c2C)c1c(F)c(OC)cc2c1nc(c1ccc(c(c1)C)OC)c(n2)c1ccc(c(c1)C)F)c1sc(c(c1)F)C	


key: InChI
value:
  InChI=1S/C47H38F3N3O2S5/c1-21-16-25(10-12-27(21)48)42-43(26-11-13-30(54-6)22(2)17-26)52-44-29(51-42)19-31(55-7)41(50)40(44)45-23(3)36-38(33-18-28(49)24(4)59-33)47-39(34(56-8)20-58-47)37(46(36)53(45)5)32-14-15-35(57-9)60-32/h10-20H,1-9H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)c1cc(c(s1)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F)OC	


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1sc(c(c1)OC)c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)occ1C)c1occ(c1)F	


key: InChI
value:
  InChI=1S/C47H36F2N2O7S4/c1-19-12-29(61-21(19)3)34-35-38(49)40(51(5)39(35)33(32-20(2)17-57-45(32)34)26-15-31(59-8)47(60-9)50(26)4)46-28(55-7)16-30(62-46)44-37-36(43(58-44)27-13-22(48)18-56-27)41(52)24-11-10-23(54-6)14-25(24)42(37)53/h10-18H,1-9H3


key: InChI
value:
  InChI=1S/C33H29F2N3O5S2/c1-38-30-21(41-4)15-43-33(30)32(42-5)31(38)24-26(35)23(45-7)14-19-29(24)37-28(17-12-20(40-3)25(34)22(13-17)44-6)27(36-19)16-9-8-10-18(11-16)39-2/h8-15H,1-7H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)F)C)c1cc(cc(c1)OC)SC)c1c(c(cn1C)OC)SC)SC)SC)c1ccc(o1)c1[se]c2c3[se]ccc3[nH]c2c1	


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3[se]c4c(c3)[nH]c3c4[se]cc3)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


key: InChI
value:
  InChI=1S/C45H39FN4O3S4Se2/c1-21-14-23(15-22(2)35(21)46)36-37(24-16-25(51-4)18-26(17-24)54-6)48-38-33(30-11-10-29(53-30)32-19-28-45(59-32)44-27(47-28)12-13-58-44)42(56-8)43(57-9)34(39(38)49-36)40-41(55-7)31(52-5)20-50(40)3/h10-20,47H,1-9H3


key: SMILES
value:
  c1(ccc(c2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1cc(c(c(c1)C)OC)OC)c1cc(cn1C)SC)c1c(c(c(n1C)c1cc(c(c2c(ccs2)SC)o1)C)C)C	


key: CAN_SMILES
value:
  CSc1cn(c(c1)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1c(C)c(c(n1C)c1oc(c(c1)C)c1sccc1SC)C)C	


key: InChI
value:
  InChI=1S/C47H44F2N4O3S4/c1-23-16-27(20-36(54-7)44(23)55-8)38-39(28-18-32(48)46(59-11)33(49)19-28)50-40-30(34-21-29(57-9)22-52(34)5)12-13-31(41(40)51-38)42-25(3)26(4)43(53(42)6)35-17-24(2)45(56-35)47-37(58-10)14-15-60-47/h12-22H,1-11H3


key: InChI
value:
  InChI=1S/C23H18F2N2O2S2/c1-9-8-28-19-11(3)16-17(25)21(29-20(16)10(2)15(9)19)13-6-12(24)7-14-18(13)27-23(31-5)22(26-14)30-4/h6-8H,1-5H3


key: InChI
value:
  InChI=1S/C38H31F3N2O4S2/c1-16-9-20(10-17(2)18(16)3)28-30-26(45-6)15-46-35(30)29(21-11-22(39)19(4)23(40)12-21)31-36(28)47-37(38(31)49-8)32-33(41)25(44-5)13-24-34(32)42-14-27(43-24)48-7/h9-15H,1-8H3


key: InChI
value:
  InChI=1S/C21H20FN3OS3/c1-11-9-14(13-7-6-8-25(13)2)26-18(11)16-17-12(10-15(27-3)19(16)28-4)23-20(22)21(24-17)29-5/h6-10H,1-5H3


key: InChI
value:
  InChI=1S/C34H29F2N3O3/c1-18-14-21(9-11-23(18)35)31-32(22-10-12-26(40-5)19(2)15-22)38-33-24(37-31)17-28(41-6)30(36)29(33)34-20(3)16-27(42-34)25-8-7-13-39(25)4/h7-17H,1-6H3


key: InChI
value:
  InChI=1S/C33H27FN6O3S4/c1-13-23-29(43-26(13)17-12-15-27(42-17)30-14(35-15)8-10-46-30)20(34)24(39(23)3)18-21-22(37-40(4)36-21)19(32(44-6)28(18)41-5)25-33(45-7)31-16(38(25)2)9-11-47-31/h8-12,35H,1-7H3


key: InChI
value:
  InChI=1S/C30H19F2N3O2S4SeSi/c1-10-18(21-22(34-41-33-21)19(20(10)32)24-11(2)27-25(37-24)12(31)9-39-27)23-26(36-4)28-13(35(23)3)7-14(40-28)15-8-17-30(42-15)29-16(43-17)5-6-38-29/h5-9H,43H2,1-4H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(ccs2)n1C)SC)SC)OC)c1c(c2c(c(c(o2)c2oc3c(c(c4c(c3)c(cn4C)F)F)c2F)C)n1C)F	


key: CAN_SMILES
value:
  COc1c(SC)c(c2c(c1c1c(F)c3c(n1C)c(c(o3)c1oc3c(c1F)c(F)c1c(c3)c(F)cn1C)C)nn(n2)C)c1c(SC)c2c(n1C)ccs2	


key: InChI
value:
  InChI=1S/C36H28F4N6O3S3/c1-13-26-32(49-30(13)33-22(39)18-17(48-33)11-14-15(37)12-43(2)27(14)21(18)38)23(40)28(45(26)4)19-24-25(42-46(5)41-24)20(35(50-7)31(19)47-6)29-36(51-8)34-16(44(29)3)9-10-52-34/h9-12H,1-8H3


key: InChI
value:
  InChI=1S/C32H21F2N3O5S4/c1-10-17(26-27(38-5)28-25(42-26)13(33)8-39-28)19-20(36-46-35-19)18(30(10)43-6)23-12(3)22-24(41-23)11(2)21(37(22)4)15-7-16-32(44-15)29-31(45-16)14(34)9-40-29/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H18F4N2O4S5/c1-9-29(37-3)35-18-14(21-23(40-4)10(30)7-38-21)16(32)20(36-2)15(19(18)34-9)27-28(41-5)17(33)25(44-27)12-6-13-26(43-12)22-24(42-13)11(31)8-39-22/h6-8H,1-5H3


key: InChI
value:
  InChI=1S/C30H19F2GeN3O2S4Se/c1-10-18(21-22(35-42-34-21)19(20(10)32)24-11(2)27-25(38-24)12(31)9-39-27)23-26(37-4)29-15(36(23)3)8-17(41-29)16-7-14-28(40-16)30-13(33-14)5-6-43-30/h5-9H,33H2,1-4H3


key: InChI
value:
  InChI=1S/C35H31FN6O4S4/c1-14-24-31(46-28(14)16-12-17-25(40(16)3)32-29(45-17)18(47-7)13-44-32)21(36)26(41(24)4)19-22-23(38-42(5)37-22)20(34(48-8)30(19)43-6)27-35(49-9)33-15(39(27)2)10-11-50-33/h10-13H,1-9H3


key: InChI
value:
  InChI=1S/C36H35FN6O4S4/c1-16-26-33(47-30(16)31-19(44-6)15-18(46-31)27-20(48-8)11-13-40(27)2)23(37)28(42(26)4)21-24-25(39-43(5)38-24)22(35(49-9)32(21)45-7)29-36(50-10)34-17(41(29)3)12-14-51-34/h11-15H,1-10H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(ccs2)n1C)SC)SC)OC)c1c(c2c(c(c(o2)c2sc3c(c(c4c(c3OC)c(cn4C)C)OC)c2C)C)n1C)F	


key: CAN_SMILES
value:
  COc1c2c(sc(c2C)c2oc3c(c2C)n(c(c3F)c2c(OC)c(SC)c(c3c2nn(n3)C)c2n(C)c3c(c2SC)scc3)C)c(c2c1n(C)cc2C)OC	


key: InChI
value:
  InChI=1S/C40H39FN6O4S4/c1-16-15-44(4)29-20(16)33(49-9)39-21(32(29)48-8)17(2)36(55-39)31-18(3)27-35(51-31)24(41)28(46(27)6)22-25-26(43-47(7)42-25)23(38(52-11)34(22)50-10)30-40(53-12)37-19(45(30)5)13-14-54-37/h13-15H,1-12H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(cs2)F)C)F)C)c1c(c2c(cc(s2)c2sc3c(c(c4c(c3c3cc(cc(c3)F)SC)c(cs4)C)c3cc(cc(c3)C)OC)c2)n1C)OC	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)c1sc2c(c1)n(c(c2OC)c1c(C)c(F)c(c2c1nsn2)c1oc2c(c1C)scc2F)C	


key: InChI
value:
  InChI=1S/C48H34F3N3O3S6/c1-19-9-23(12-26(10-19)55-6)35-28-15-31(61-46(28)36(33-20(2)17-59-48(33)35)24-11-25(49)14-27(13-24)58-8)32-16-30-47(62-32)44(56-7)41(54(30)5)34-21(3)38(51)37(40-39(34)52-63-53-40)42-22(4)45-43(57-42)29(50)18-60-45/h9-18H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1sc2c(c(c3c(c2OC)c(cn3C)C)OC)c1C)C)C	


key: InChI
value:
  InChI=1S/C39H35FN4O6S3/c1-14-12-43(6)28-20(14)34(46-9)39-22(32(28)45-8)16(3)38(52-39)27-18(5)30-26(44(27)7)17(4)29(49-30)23-25-24(41-53-42-25)21(15(2)37(23)51-11)33-35(47-10)36-31(50-33)19(40)13-48-36/h12-13H,1-11H3


key: InChI
value:
  InChI=1S/C35H32FN5O2S5/c1-15-13-19(18-11-10-12-42-18)47-31(15)29-17(3)32-30(43-29)35(46-9)33(48-32)22-23(36)16(2)21(24-25(22)38-41(6)37-24)27-34(45-8)28-26(40(27)5)20(44-7)14-39(28)4/h10-14H,1-9H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1)C)C	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)c1c(C)c2c(n1C)c(c(o2)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)C	


key: InChI
value:
  InChI=1S/C50H39F2N3O5S5/c1-20-11-25(14-28(12-20)56-7)35-30-17-32(64-49(30)36(33-21(2)19-63-50(33)35)26-13-27(51)16-29(15-26)61-9)40-23(4)43-41(55(40)6)24(5)42(59-43)37-39-38(53-65-54-39)34(22(3)48(37)62-10)45-46(57-8)47-44(60-45)31(52)18-58-47/h11-19H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: Name
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: InChI
value:
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key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)OC)c1c(c2c(c(co2)C)n1C)SC)C)SC)c1c(c2c(s1)c(c(n2C)c1cc(c(c2c(ccs2)SC)o1)OC)SC)F	


key: InChI
value:
  InChI=1S/C39H37FN4O5S6/c1-16-15-48-31-26(16)43(3)28(35(31)52-10)21-17(2)32(51-9)22(25-24(21)41-38(46-6)39(42-25)47-7)34-23(40)29-37(55-34)36(53-11)27(44(29)4)18-14-19(45-5)30(49-18)33-20(50-8)12-13-54-33/h12-15H,1-11H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)OC)c1c(c2c(c(co2)C)n1C)SC)C)SC)c1c(c2c(s1)c(c(n2C)c1[se]c2c3[se]ccc3[nH]c2c1)SC)F	


key: CAN_SMILES
value:
  COc1nc2c(nc1OC)c(c(c(c2c1sc2c(c1F)n(c(c2SC)c1[se]c2c(c1)[nH]c1c2[se]cc1)C)SC)C)c1c(SC)c2c(n1C)c(co2)C	


key: InChI
value:
  InChI=1S/C37H32FN5O3S4Se2/c1-14-13-46-28-24(14)42(3)26(31(28)48-8)19-15(2)29(47-7)20(23-22(19)40-36(44-5)37(41-23)45-6)30-21(38)27-33(50-30)32(49-9)25(43(27)4)18-12-17-35(52-18)34-16(39-17)10-11-51-34/h10-13,39H,1-9H3


key: SMILES
value:
  c1(cc(c(c2c1nc(cn2)SC)c1cc2c(o1)c(co2)OC)SC)c1c(c2c(o1)cc(o2)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(cs3)OC)c2ccc(cc2)C)c1C)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(cc(c2c1oc2c(c1)occ2OC)SC)c1oc2c(c1SC)oc(c2)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1	


key: InChI
value:
  InChI=1S/C50H36F2N2O7S4/c1-21-9-11-24(12-10-21)38-36-23(3)44(61-48(36)37(40-33(56-5)20-65-49(38)40)25-13-22(2)41(52)27(51)14-25)30-17-31-47(60-30)50(64-8)45(59-31)26-15-34(62-6)39(43-42(26)54-35(63-7)18-53-43)28-16-29-46(58-28)32(55-4)19-57-29/h9-20H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)OC)c1c(c2c(c(co2)C)n1C)SC)C)SC)c1c(c2c(s1)c(c(n2C)c1oc2c3sccc3[GeH2]c2c1)SC)F	


key: InChI
value:
  InChI=1S/C37H33FGeN4O4S5/c1-14-13-46-29-24(14)42(3)26(33(29)49-8)19-15(2)30(48-7)20(23-22(19)40-36(44-5)37(41-23)45-6)32-21(38)27-35(52-32)34(50-9)25(43(27)4)18-12-17-28(47-18)31-16(39-17)10-11-51-31/h10-13H,39H2,1-9H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)OC)c1c(c2c(c(co2)C)n1C)SC)C)SC)c1c(c2c(s1)c(c(n2C)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)SC)F	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)csc2c(c2c1n(C)c(c2C)c1c(SC)c2c(n1C)c(c(s2)c1c(SC)c(C)c(c2c1nc(OC)c(n2)OC)c1c(SC)c2c(n1C)c(co2)C)F)c1cc(c(s1)C)F	


key: InChI
value:
  InChI=1S/C52H47F2N5O3S9/c1-20-18-62-44-38(20)57(5)41(48(44)66-13)30-22(3)45(65-12)34(37-36(30)55-51(60-8)52(56-37)61-9)47-35(54)42-50(71-47)49(67-14)43(59(42)7)39-21(2)29-32(26-17-24(53)23(4)69-26)46-33(27(63-10)19-68-46)31(40(29)58(39)6)25-15-16-28(64-11)70-25/h15-19H,1-14H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)OC)c1c(c2c(c(co2)C)n1C)SC)C)SC)c1c(c2c(s1)c(c(n2C)c1sc2c(c(c3c(c2c2cc(c(cc2)OC)C)ccn3C)c2cc(c(c(c2)F)OC)F)c1SC)SC)F	


key: CAN_SMILES
value:
  COc1nc2c(nc1OC)c(c(c(c2c1sc2c(c1F)n(c(c2SC)c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)ccn1C)C)SC)C)c1c(SC)c2c(n1C)c(co2)C	


key: InChI
value:
  InChI=1S/C56H50F3N5O5S6/c1-23-19-26(15-16-31(23)65-7)33-28-17-18-62(4)41(28)34(27-20-29(57)45(66-8)30(58)21-27)35-48(33)74-54(50(35)71-12)44-52(73-14)53-43(64(44)6)37(59)49(75-53)36-39-38(60-55(67-9)56(61-39)68-10)32(25(3)47(36)70-11)42-51(72-13)46-40(63(42)5)24(2)22-69-46/h15-22H,1-14H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)F)C)F)c1cc(c(c(c1)OC)C)OC)c1c(c2c(s1)c(cs2)C)OC)OC)OC)c1cc2c(s1)c(c(n2C)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC)F	


key: CAN_SMILES
value:
  CSc1c(F)cc(cc1OC)c1c2scc(c2c(c2c1c(OC)c(n2C)c1n(C)c2c(c1F)sc(c2)c1c(OC)c(OC)c(c2c1nc(c1cc(OC)c(c(c1)OC)C)c(n2)c1cc(F)c(c(c1)F)C)c1sc2c(c1OC)scc2C)c1ccc(c(c1)C)C)SC	


key: Name
value:
  A8-F_CH3_F_OCH3_CH3_OCH3_CH3_OCH3_OCH3_OCH3_F_H-S_S_S_NCH3-D10-H_CH3_CH3_OCH3_F_SCH3_OCH3_SCH3-NCH3_S-p1


key: InChI
value:
  InChI=1S/C70H60F4N4O7S6/c1-29-17-18-34(19-30(29)2)47-49-46(86-15)28-89-68(49)48(35-20-40(73)66(87-16)44(23-35)81-10)51-58(47)78(7)60(61(51)82-11)59-53(74)67-41(77(59)6)26-45(90-67)50-56-57(52(63(84-13)62(50)83-12)69-64(85-14)70-65(91-69)31(3)27-88-70)76-54(36-21-38(71)32(4)39(72)22-36)55(75-56)37-24-42(79-8)33(5)43(25-37)80-9/h17-28H,1-16H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)SC)OC)OC)c1cc(c(c(c1)C)F)SC)c1c(cco1)OC)C)OC)c1c(c(c(n1C)c1sc2c(c(c3c(c2c2ccc(s2)F)c(cs3)SC)c2cc(c(s2)OC)C)c1)SC)C	


key: CAN_SMILES
value:
  COc1ccoc1c1c(C)c(OC)c(c2c1nc(c1cc(OC)c(c(c1)SC)OC)c(n2)c1cc(C)c(c(c1)SC)F)c1c(C)c(c(n1C)c1cc2c(s1)c(c1ccc(s1)F)c1c(c2c2cc(c(s2)OC)C)scc1SC)SC	


key: InChI
value:
  InChI=1S/C60H53F2N3O6S8/c1-26-19-30(22-37(72-11)47(26)62)48-49(31-21-34(67-7)55(69-9)39(23-31)73-12)63-50-42(56-33(66-6)17-18-71-56)28(3)54(68-8)46(51(50)64-48)52-29(4)57(75-14)53(65(52)5)38-24-32-43(36-20-27(2)60(70-10)79-36)59-45(40(74-13)25-76-59)44(58(32)78-38)35-15-16-41(61)77-35/h15-25H,1-14H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)F)C)c1cc(cc(c1)OC)SC)c1c(c(cn1C)OC)SC)SC)SC)c1ccc(o1)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)c(co3)OC)c2cc(c(c(c2)F)C)F)c1SC	


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3oc4c(c3SC)c(c3cc(F)c(c(c3)F)C)c3c(c4c4cc(C)c(c(c4)C)C)c(OC)co3)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


key: InChI
value:
  InChI=1S/C65H58F3N3O6S5/c1-29-18-35(19-30(2)33(29)5)47-49-46(74-10)28-75-60(49)48(36-24-41(66)34(6)42(67)25-36)51-61(47)77-59(63(51)80-13)44-17-16-43(76-44)50-56-57(52(65(82-15)64(50)81-14)58-62(79-12)45(73-9)27-71(58)7)70-54(37-20-31(3)53(68)32(4)21-37)55(69-56)38-22-39(72-8)26-40(23-38)78-11/h16-28H,1-15H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)OC)C)c1cc(cc(c1)C)C)c1c(c2c(c(cs2)SC)n1C)F)C)SC)c1cc2c(s1)c(c(n2C)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)c(co3)OC)c2cc(c(c(c2)F)C)F)c1SC)F	


key: CAN_SMILES
value:
  COc1cc(ccc1C)c1nc2c(nc1c1cc(C)cc(c1)C)c(c1sc3c(c1)n(c(c3F)c1oc3c(c1SC)c(c1cc(F)c(c(c1)F)C)c1c(c3c3cc(C)c(c(c3)C)C)c(OC)co1)C)c(c(c2c1c(F)c2c(n1C)c(cs2)SC)C)SC	


key: InChI
value:
  InChI=1S/C69H58F4N4O4S5/c1-29-18-30(2)20-40(19-29)57-56(37-17-16-31(3)44(25-37)78-11)74-58-48(61-54(72)69-60(77(61)10)47(82-13)28-85-69)36(8)66(83-14)52(59(58)75-57)46-26-43-67(86-46)55(73)62(76(43)9)65-68(84-15)53-50(39-23-41(70)35(7)42(71)24-39)63-51(45(79-12)27-80-63)49(64(53)81-65)38-21-32(4)34(6)33(5)22-38/h16-28H,1-15H3


key: SMILES
value:
  c1(ccc(c2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1cc(c(c(c1)C)OC)OC)c1cc(cn1C)SC)c1c(c(c(n1C)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)cc(s3)c2c(cc(c3ccc(c4c3nc(c(n4)c3cc(c(c(c3)C)OC)OC)c3cc(c(c(c3)F)SC)F)c3c(c(c(n3C)c3oc4c(c(c5c(c4c4cc(c(o4)C)SC)ccs5)c4cc(c(F)n4C)OC)c3OC)C)C)n2C)SC)c2cc(c(F)n2C)OC)c1OC)C)C	


key: CAN_SMILES
value:
  CSc1cn(c(c1)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1c(C)c(c(n1C)c1oc2c(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)cc(s1)c1c(SC)cc(n1C)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1c(C)c(c(n1C)c1oc2c(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)ccs1)C)C)C	


key: InChI
value:
  InChI=1S/C120H106F6N10O12S8/c1-51-35-59(41-80(137-15)107(51)141-19)94-96(61-37-70(121)117(153-27)71(122)38-61)127-98-64(74-43-63(149-23)50-131(74)9)29-31-67(100(98)129-94)102-53(3)56(6)105(135(102)13)114-112(144-22)93-91(77-46-83(140-18)120(126)134(77)12)116-69(89(110(93)148-114)79-49-85(151-25)58(8)146-79)44-87(156-116)106-86(152-26)47-75(132(106)10)65-30-32-68(101-99(65)128-97(62-39-72(123)118(154-28)73(124)40-62)95(130-101)60-36-52(2)108(142-20)81(42-60)138-16)103-54(4)55(5)104(136(103)14)113-111(143-21)92-90(76-45-82(139-17)119(125)133(76)11)115-66(33-34-155-115)88(109(92)147-113)78-48-84(150-24)57(7)145-78/h29-50H,1-28H3


key: InChI
value:
  InChI=1S/C33H28FN5O3S3SeSi/c1-13-23-29(42-26(13)15-12-17-33(46-15)27-16(47-17)8-10-41-27)20(34)24(38(23)3)18-21-22(36-39(4)35-21)19(31(43-6)28(18)40-5)25-32(44-7)30-14(37(25)2)9-11-45-30/h8-12H,47H2,1-7H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)F)SC)SC)SC)c1[se]c2c3[se]c(cc3[nH]c2c1)c1c(c(c(c2c1nc(c(n2)SC)F)c1[se]c2c3[se]ccc3[nH]c2c1)SC)SC	


key: CAN_SMILES
value:
  CSc1c(c2cc3c([se]2)c2c([nH]3)cc([se]2)c2c(SC)c(SC)cc3c2nc(SC)c(n3)F)c2nc(F)c(nc2c(c1SC)c1cc2c([se]1)c1c([nH]2)cc[se]1)SC	


key: InChI
value:
  InChI=1S/C38H26F2N6S6Se4/c1-47-18-9-14-25(45-37(51-5)35(39)43-14)22(28(18)48-2)19-11-16-33(55-19)34-17(42-16)12-20(56-34)23-26-27(46-38(52-6)36(40)44-26)24(30(50-4)29(23)49-3)21-10-15-32(54-21)31-13(41-15)7-8-53-31/h7-12,41-42H,1-6H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)F)C)c1c(c2c(o1)c(cn2C)SC)C)SC)c1cc2c(o1)c(c(s2)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)c(c(o3)c2c(c3c(c(c(c4cc(c(c5c4nc(c(n5)C)F)c4cc5c(o4)c(c(s5)c4oc5c(c(c6c(c5c5cc(c(c(c5)C)C)C)c(co6)OC)c5cc(c(c(c5)F)C)F)c4SC)SC)SC)o3)C)n2C)SC)OC)c2cc(c(c(c2)F)C)F)c1SC)SC	


key: CAN_SMILES
value:
  COc1c2c(c3cc(C)c(c(c3)C)C)c3oc(c(c3c(c2oc1c1c(SC)c2c(n1C)c(c(o2)c1cc(SC)c(c2c1nc(F)c(n2)C)c1oc2c(c1)sc(c2SC)c1oc2c(c1SC)c(c1cc(F)c(c(c1)F)C)c1c(c2c2cc(C)c(c(c2)C)C)c(OC)co1)C)c1cc(F)c(c(c1)F)C)SC)c1sc2c(c1SC)oc(c2)c1c(SC)cc(c2c1nc(C)c(n2)F)c1oc2c(c1C)n(cc2SC)C	


key: InChI
value:
  InChI=1S/C108H86F6N6O10S10/c1-39-25-51(26-40(2)43(39)5)69-75-63(121-15)38-123-91(75)71(53-29-57(109)45(7)58(110)30-53)77-93(69)129-98(100(77)134-20)105-103(137-23)89-66(139-105)36-62(125-89)74-65(132-18)34-56(80-82(74)116-50(12)108(114)118-80)87-48(10)84-97(127-87)102(136-22)85(120(84)14)96-95(122-16)76-70(52-27-41(3)44(6)42(4)28-52)94-78(72(92(76)128-96)54-31-59(111)46(8)60(112)32-54)101(135-21)99(130-94)106-104(138-24)90-67(140-106)35-61(124-90)73-64(131-17)33-55(79-81(73)115-49(11)107(113)117-79)86-47(9)83-88(126-86)68(133-19)37-119(83)13/h25-38H,1-24H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1oc2c3[se]c(cc3[nH]c2c1)c1cc2c(cc(c3cc(c(c4c3nc(c(n4)c3cc(c(c(c3)F)OC)C)c3cc(c(c(c3)SC)SC)C)c3c(c4c(s3)c(c(o4)c3oc4c5[se]ccc5[nH]c4c3)SC)C)OC)s2)s1)SC)C	


key: CAN_SMILES
value:
  CSc1cc(cc(c1SC)C)c1nc2c(cc(c(c2nc1c1cc(C)c(c(c1)F)OC)c1sc2c(c1C)oc(c2SC)c1oc2c(c1)[nH]c1c2[se]cc1)OC)c1cc2c(s1)cc(s2)c1[se]c2c(c1)[nH]c1c2oc(c1)c1oc2c(c1SC)sc(c2C)c1c(OC)cc(c2c1nc(c1cc(C)c(c(c1)F)OC)c(n2)c1cc(C)c(c(c1)SC)SC)c1sc2c(c1)scc2	


key: InChI
value:
  InChI=1S/C96H70F2N6O8S12Se2/c1-37-21-43(25-49(97)79(37)107-9)71-73(45-23-39(3)87(115-13)66(27-45)113-11)101-75-47(60-34-62-59(120-60)17-19-119-62)29-55(105-7)69(77(75)103-71)89-42(6)82-94(124-89)92(118-16)86(112-82)58-32-53-84(110-58)96-54(100-53)33-68(126-96)65-36-64-63(122-65)35-61(121-64)48-30-56(106-8)70(90-41(5)81-93(123-90)91(117-15)85(111-81)57-31-52-83(109-57)95-51(99-52)18-20-125-95)78-76(48)102-74(46-24-40(4)88(116-14)67(28-46)114-12)72(104-78)44-22-38(2)80(108-10)50(98)26-44/h17-36,99-100H,1-16H3


key: SMILES
value:
  c1(c2c(c([se]1)c1cc(c[se]1)F)C(=O)c1c(C2=O)cc(c(c1)OC)SC)c1cc(c(o1)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC)F	


key: InChI
value:
  InChI=1S/C51H38F3NO6S4Se2/c1-21-10-11-23(12-22(21)2)36-38-34(63-8)19-65-49(38)37(24-13-29(54)48(64-9)31(14-24)59-5)39-42(36)55(3)43(47(39)60-6)46-28(53)18-32(61-46)50-40-41(51(67-50)35-15-25(52)20-66-35)44(56)26-16-30(58-4)33(62-7)17-27(26)45(40)57/h10-20H,1-9H3


key: CAN_SMILES
value:
  COc1cc2c(cc1SC)C(=O)c1c(C2=O)c([se]c1c1cc(c(o1)c1n(C)c2c(c1OC)c(c1cc(F)c(c(c1)OC)SC)c1c(c2c2ccc(c(c2)C)C)c(SC)cs1)F)c1[se]cc(c1)F	


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1oc2c(c(c3c(c2OC)c(c(o3)c2cc3c(cc(c4cc(c(c5c4nc(c(n5)c4cc(c(c(c4)F)OC)C)c4cc(c(c(c4)SC)SC)C)c4c(c5c(s4)c(c(o5)c4oc5c(c(c6c(c5OC)c(co6)C)F)c4F)SC)C)OC)s3)s2)C)F)c1F)SC)C	


key: CAN_SMILES
value:
  CSc1cc(cc(c1SC)C)c1nc2c(cc(c(c2nc1c1cc(C)c(c(c1)F)OC)c1sc2c(c1C)oc(c2SC)c1oc2c(c1F)c(F)c1c(c2OC)c(C)co1)OC)c1cc2c(s1)cc(s2)c1oc2c(c1C)c(OC)c1c(c2F)c(F)c(o1)c1oc2c(c1SC)sc(c2C)c1c(OC)cc(c2c1nc(c1cc(C)c(c(c1)F)OC)c(n2)c1cc(C)c(c(c1)SC)SC)c1sc2c(c1)scc2	


key: InChI
value:
  InChI=1S/C104H76F6N4O12S12/c1-37-23-45(27-51(105)82(37)117-11)74-76(47-25-39(3)97(129-17)62(29-47)127-15)111-78-49(56-33-58-55(134-56)21-22-133-58)31-53(115-9)66(80(78)113-74)99-44(8)86-104(137-99)102(132-20)96(124-86)94-73(110)69-71(108)88-65(90(120-14)92(69)126-94)42(6)84(122-88)61-35-60-59(136-61)34-57(135-60)50-32-54(116-10)67(81-79(50)112-77(48-26-40(4)98(130-18)63(30-48)128-16)75(114-81)46-24-38(2)83(118-12)52(106)28-46)100-43(7)85-103(138-100)101(131-19)95(123-85)93-72(109)68-70(107)87-64(41(5)36-121-87)89(119-13)91(68)125-93/h21-36H,1-20H3


key: SMILES
value:
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key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1sc(c(c1)OC)c1cc2c(n1C)c(c1cc(c(n1C)F)SC)c1c(c2c2cc(c(o2)F)OC)scc1)c1cc(c(o1)c1sc2c(c1)c(c1cc(c(n1C)F)SC)c1c(c2c2cc(c(o2)F)OC)cc(n1C)c1sc(cc1OC)c1oc(c2c1C(=O)c1cc(OC)ccc1C2=O)c1occ(c1)F)F	


key: InChI
value:
  InChI=1S/C88H56F6N4O16S6/c1-95-47(22-41-64(49-28-55(107-9)87(93)111-49)81-38(17-18-117-81)62(70(41)95)45-26-60(115-11)85(91)97(45)3)83-54(106-8)31-59(120-83)80-69-67(73(100)37-16-14-35(104-6)21-40(37)75(69)102)78(114-80)52-25-44(90)76(110-52)57-24-43-63(46-27-61(116-12)86(92)98(46)4)71-42(65(82(43)118-57)50-29-56(108-10)88(94)112-50)23-48(96(71)2)84-53(105-7)30-58(119-84)79-68-66(77(113-79)51-19-33(89)32-109-51)72(99)36-15-13-34(103-5)20-39(36)74(68)101/h13-32H,1-12H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)c1cc(c(s1)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)ccs3)c1cc(c(o1)F)OC)OC	


key: InChI
value:
  InChI=1S/C44H29F3N2O8S3/c1-48-25(13-23-33(26-15-29(54-5)44(47)56-26)41-21(9-10-59-41)32(36(23)48)24-14-31(58-6)43(46)49(24)2)42-28(53-4)16-30(60-42)40-35-34(39(57-40)27-11-18(45)17-55-27)37(50)20-8-7-19(52-3)12-22(20)38(35)51/h7-17H,1-6H3


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1sc(c(c1)OC)c1cc2c(n1C)c(c1cc(c(n1C)F)SC)c1c(c2c2cc(c(o2)F)OC)scc1)c1occ(c1)F	


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cn1C)C)OC)C)c1c(c(c(o1)c1ccc(c2cc(c(o2)c2c(c(c(c3cc(c(c4c3nn(n4)C)c3c(c(c(o3)c3ccc(c4cc(co4)SC)s3)F)C)C)n2C)OC)C)SC)s1)F)C	


key: CAN_SMILES
value:
  CSc1coc(c1)c1ccc(s1)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1c(OC)c(c(n1C)c1oc(cc1SC)c1ccc(s1)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)cc(c1OC)C)C	


key: InChI
value:
  InChI=1S/C58H52F2N8O6S4/c1-25-19-32(50-52(69-11)27(3)23-65(50)7)45-47(63-67(9)61-45)41(25)53-29(5)44(60)57(74-53)39-18-16-37(78-39)35-22-40(76-14)58(72-35)49-30(6)55(70-12)51(66(49)8)33-20-26(2)42(48-46(33)62-68(10)64-48)54-28(4)43(59)56(73-54)38-17-15-36(77-38)34-21-31(75-13)24-71-34/h15-24H,1-14H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1c(c2c(c3c(c(co3)F)o2)s1)SC)SC)C	


key: InChI
value:
  InChI=1S/C49H36F2N2O5S8/c1-19-12-22(14-25(50)37(19)55-5)33-34(23-13-20(2)43(60-7)31(15-23)59-6)52-35-24(29-17-30-28(64-29)10-11-63-30)16-27(54-4)32(36(35)53-33)44-21(3)38-48(65-44)47(62-9)42(57-38)49-46(61-8)41-45(66-49)40-39(58-41)26(51)18-56-40/h10-18H,1-9H3


key: CAN_SMILES
value:
  COc1cc(c2cc3c(s2)ccs3)c2c(c1c1sc3c(c1C)oc(c3SC)c1sc3c(c1SC)oc1c3occ1F)nc(c(n2)c1cc(C)c(c(c1)SC)SC)c1cc(C)c(c(c1)F)OC	


key: InChI
value:
  InChI=1S/C19H15N3O3S2/c1-23-12-5-4-9-15(22-19(26-3)18(21-9)24-2)14(12)13-8-11-16(25-13)17-10(20-11)6-7-27-17/h4-8,20H,1-3H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)F)C(=O)c1c(scc1C2=O)C)c1cc(c(s1)c1c(cc(c2ccc(o2)c2c(cc(c3c4c(c(o3)c3cc(c(s3)c3c(cc(c5ccco5)s3)C)SC)C(=O)c3c(C4=O)c(sc3)C)s2)F)s1)C)SC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1sc(cc1C)c1ccc(o1)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)csc1C)c1cc(c(s1)c1sc(cc1C)c1ccco1)SC)c1oc(c2c1C(=O)c1csc(c1C2=O)C)c1scc(c1)F	


key: InChI
value:
  InChI=1S/C58H32F2O8S10/c1-21-12-32(29-8-7-11-65-29)74-54(21)57-38(69-5)17-37(78-57)53-43-45(49(64)41-24(4)72-20-27(41)47(43)62)51(68-53)35-15-28(60)56(76-35)31-10-9-30(66-31)33-13-22(2)55(75-33)58-39(70-6)16-36(77-58)52-42-44(50(67-52)34-14-25(59)18-73-34)48(63)40-23(3)71-19-26(40)46(42)61/h7-20H,1-6H3


key: InChI
value:
  InChI=1S/C31H24F2N4O2S5/c1-11-9-36(4)23-27(11)43-30(31(23)40-7)16-8-15-29(42-16)26(38-6)22(37(15)5)17-12(2)19(33)18(21-20(17)34-44-35-21)24-13(3)28-25(39-24)14(32)10-41-28/h8-10H,1-7H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(ccs2)n1C)SC)SC)OC)c1c(c2c(c(c(o2)c2cc3c(c4c(c(c(o4)c4cc5c(c(c(c6c(c(c(c7c6nn(n7)C)c6c(c7c(c(c(o7)c7cc8c(c9c(c(co9)F)s8)s7)C)n6C)F)OC)SC)n5C)SC)s4)F)s3)s2)C)n1C)F	


key: CAN_SMILES
value:
  CSc1c(c2nn(nc2c(c1OC)c1n(C)c2c(c1F)oc(c2C)c1cc2c(s1)c1c(s2)c(co1)F)C)c1n(C)c2c(c1SC)sc(c2)c1oc2c(c1F)sc1c2sc(c1)c1oc2c(c1C)n(c(c2F)c1c(OC)c(SC)c(c2c1nn(n2)C)c1n(C)c2c(c1SC)scc2)C	


key: InChI
value:
  InChI=1S/C66H48F4N10O6S10/c1-21-42-53(84-48(21)27-18-29-60(93-27)55-57(95-29)23(67)20-83-55)35(68)45(77(42)5)32-39-41(74-80(8)72-39)34(63(88-12)52(32)82-10)47-66(90-14)59-25(76(47)4)17-26(92-59)50-37(70)64-56(86-50)61-30(96-64)19-28(94-61)49-22(2)43-54(85-49)36(69)44(78(43)6)31-38-40(73-79(7)71-38)33(62(87-11)51(31)81-9)46-65(89-13)58-24(75(46)3)15-16-91-58/h15-20H,1-14H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)SC)OC)OC)c1cc(c(c(c1)C)F)SC)c1c(cco1)OC)C)OC)c1c(c(c(n1C)c1c(cc(c2c(cc(n2C)c2cc(c(c3c(c(c(c4c3nc(c(n4)c3cc(c(c(c3)C)F)SC)c3cc(c(c(c3)SC)OC)OC)c3c(c(c(n3C)c3c(cc(c4c(ccn4C)SC)o3)OC)SC)C)OC)C)o2)OC)SC)o1)OC)SC)C	


key: CAN_SMILES
value:
  COc1cc(oc1c1c(SC)c(c(n1C)c1c(OC)c(C)c(c2c1nc(c1cc(C)c(c(c1)SC)F)c(n2)c1cc(OC)c(c(c1)SC)OC)c1occc1OC)C)c1c(SC)cc(n1C)c1cc(c(o1)c1c(C)c(OC)c(c2c1nc(c1cc(OC)c(c(c1)SC)OC)c(n2)c1cc(C)c(c(c1)SC)F)c1c(C)c(c(n1C)c1oc(cc1OC)c1c(SC)ccn1C)SC)OC	


key: InChI
value:
  InChI=1S/C100H100F2N8O14S8/c1-45-33-51(37-66(126-22)75(45)101)77-79(53-35-60(112-12)93(119-19)69(39-53)129-25)103-81-71(95-56(111-11)30-32-121-95)47(3)91(117-17)73(83(81)105-77)85-49(5)100(132-28)90(110(85)10)98-64(116-16)44-59(124-98)88-68(128-24)41-55(108(88)8)57-42-62(114-14)96(122-57)72-48(4)92(118-18)74(86-50(6)99(131-27)89(109(86)9)97-63(115-15)43-58(123-97)87-65(125-21)29-31-107(87)7)84-82(72)104-80(54-36-61(113-13)94(120-20)70(40-54)130-26)78(106-84)52-34-46(2)76(102)67(38-52)127-23/h29-44H,1-28H3


key: InChI
value:
  InChI=1S/C30H18F2N4O3S4/c1-10-18(21-22(35-43-34-21)19(20(10)32)24-11(2)28-25(39-24)12(31)9-41-28)23-27(37-4)30-15(36(23)3)8-17(42-30)16-7-14-26(38-16)29-13(33-14)5-6-40-29/h5-9,33H,1-4H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cs1)F)SC)F)c1c(c(c(o1)c1sc2c3[se]c(cc3[GeH2]c2c1)c1c(c(c(c2cc(c(c3c2nn(n3)C)c2c(c(c(o2)c2sc3c4[se]ccc4[GeH2]c3c2)OC)OC)F)s1)SC)F)OC)OC	


key: CAN_SMILES
value:
  CSc1c(F)c(sc1c1cc(F)c(c2c1nn(n2)C)c1oc(c(c1OC)OC)c1cc2c(s1)c1c([GeH2]2)cc[se]1)c1cc2c([se]1)c1c([GeH2]2)cc(s1)c1oc(c(c1OC)OC)c1c(F)cc(c2c1nn(n2)C)c1scc(c1SC)F	


key: InChI
value:
  InChI=1S/C52H36F4Ge2N6O6S6Se2/c1-63-59-32-17(44-46(71-7)21(55)16-73-44)11-19(53)29(34(32)61-63)38-42(67-5)41(66-4)37(70-38)27-14-24-48(75-27)52-25(58-24)15-28(78-52)49-31(56)50(72-8)45(76-49)18-12-20(54)30(35-33(18)60-64(2)62-35)39-43(68-6)40(65-3)36(69-39)26-13-23-47(74-26)51-22(57-23)9-10-77-51/h9-16H,57-58H2,1-8H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)OC)c1c(c(co1)C)SC)OC)C)c1c(c(c(o1)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)cc(s3)c1c(c(c(c2c(c(c(c3c2nc(c(n3)OC)C)c2c(c(c(o2)c2cc3c(c4c(c(c3n2C)c2cc(c(F)n2C)SC)ccs4)c2cc(c(o2)F)OC)F)C)C)OC)o1)SC)C)c1cc(c(o1)F)OC)F)C	


key: CAN_SMILES
value:
  CSc1c(C)c(oc1c1c(OC)c(C)c(c2c1nc(C)c(n2)OC)c1oc(c(c1C)F)c1cc2c(n1C)c(c1cc(c(n1C)F)SC)c1c(c2c2cc(c(o2)F)OC)scc1)c1sc2c(c1)c(c1cc(c(n1C)F)SC)c1c(c2c2cc(c(o2)F)OC)cc(n1C)c1oc(c(c1F)C)c1c(C)c(OC)c(c2c1nc(OC)c(n2)C)c1occ(c1SC)C	


key: InChI
value:
  InChI=1S/C90H76F6N8O12S6/c1-33-32-111-79(81(33)119-21)62-68-66(99-89(109-17)39(7)97-68)56(34(2)73(62)107-15)75-36(4)65(92)78(115-75)48-26-43-61(50-31-52(106-14)88(96)113-50)84-44(59(71(43)102(48)10)46-29-55(118-20)86(94)104(46)12)27-53(122-84)72-38(6)82(120-22)80(114-72)63-69-67(100-90(110-18)40(8)98-69)57(35(3)74(63)108-16)76-37(5)64(91)77(116-76)47-25-42-60(49-30-51(105-13)87(95)112-49)83-41(23-24-121-83)58(70(42)101(47)9)45-28-54(117-19)85(93)103(45)11/h23-32H,1-22H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1ccc(c(c1)SC)OC)SC)OC)c1cc2c(c3c(c(c(o3)c3c(c(c(c4c3nc(c(n4)c3ccc(c(c3)SC)OC)c3cc(c(c(c3)F)SC)F)c3cc4c(c5c(c(co5)F)s4)s3)OC)SC)F)s2)s1	


key: CAN_SMILES
value:
  CSc1cc2nc(c3cc(F)c(c(c3)F)SC)c(nc2c(c1OC)c1cc2c(s1)c1c(s2)c(c(o1)c1c(SC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1ccc(c(c1)SC)OC)c1sc2c(c1)sc1c2occ1F)F)c1ccc(c(c1)SC)OC	


key: InChI
value:
  InChI=1S/C66H44F6N4O6S10/c1-77-35-13-11-25(19-37(35)83-5)48-50(27-15-29(67)60(86-8)30(68)16-27)73-34-21-41(85-7)55(79-3)44(52(34)74-48)39-22-43-64(90-39)59-66(92-43)47(72)56(82-59)46-54-53(45(57(80-4)65(46)88-10)40-23-42-63(89-40)58-62(91-42)33(71)24-81-58)75-49(26-12-14-36(78-2)38(20-26)84-6)51(76-54)28-17-31(69)61(87-9)32(70)18-28/h11-24H,1-10H3


key: InChI
value:
  InChI=1S/C19H15FN2OS2/c1-10-6-7-24-18(10)15-8-14(23-3)19(25-15)16-12(20)4-5-13-17(16)21-9-11(2)22-13/h4-9H,1-3H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)C)c1c(c(co1)F)SC)F)OC)c1c(c(c(s1)c1cc2c(c3c(c(c(o3)c3c(c(c(c4c(c(c(c5c4nc(c(n5)C)OC)c4c(c(c(s4)c4cc5c(c6c(c(co6)F)o5)s4)F)SC)OC)F)o3)SC)F)F)o2)s1)F)SC	


key: CAN_SMILES
value:
  CSc1c(F)c(oc1c1c(F)c(OC)c(c2c1nc(OC)c(n2)C)c1sc(c(c1SC)F)c1sc2c(c1)oc1c2occ1F)c1oc2c(c1F)oc1c2sc(c1)c1sc(c(c1F)SC)c1c(OC)c(F)c(c2c1nc(C)c(n2)OC)c1occ(c1SC)F	


key: InChI
value:
  InChI=1S/C58H34F8N4O10S8/c1-15-57(73-5)69-33-23(40-47(81-7)18(60)14-75-40)27(61)38(71-3)25(35(33)67-15)52-56(84-10)32(66)51(88-52)22-12-20-49(86-22)46-43(78-20)29(63)42(80-46)44-30(64)54(82-8)41(79-44)24-28(62)39(72-4)26(36-34(24)70-58(74-6)16(2)68-36)53-55(83-9)31(65)50(87-53)21-11-19-48(85-21)45-37(77-19)17(59)13-76-45/h11-14H,1-10H3


key: InChI
value:
  InChI=1S/C18H16N4O2S/c1-9-5-6-10-15(20-22(3)19-10)14(9)11-7-12-16(21(11)2)18-17(24-12)13(25-4)8-23-18/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C36H31N5O3S2Se2/c1-15-25(30-16(2)33-31(41(30)5)21(42-6)14-44-33)28-27(37-13-24(39-28)45-8)26(32(15)43-7)22-12-20-34(46-22)17(3)29(40(20)4)23-11-19-36(48-23)35-18(38-19)9-10-47-35/h9-14,38H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1cc2c(c3c(c(c(o3)c3c(c(c(c4c(c(c(c5c4non5)c4c(cc(o4)c4cc5c(c6c(c(co6)C)o5)n4C)F)F)SC)s3)OC)F)C)o2)n1C)F	


key: CAN_SMILES
value:
  COc1c(F)c(sc1c1c(SC)c(F)c(c2c1non2)c1oc(cc1F)c1cc2c(n1C)c1c(o2)c(co1)C)c1oc2c(c1C)oc1c2n(C)c(c1)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F	


key: InChI
value:
  InChI=1S/C52H30F6N6O10S4/c1-15-13-67-46-37-24(70-39(15)46)11-20(63(37)3)22-9-17(53)43(68-22)27-31(57)49(76-8)29(36-34(27)60-74-62-36)51-45(66-6)32(58)52(78-51)41-16(2)40-47(72-41)38-25(71-40)12-21(64(38)4)23-10-18(54)42(69-23)26-30(56)48(75-7)28(35-33(26)59-73-61-35)50-44(65-5)19(55)14-77-50/h9-14H,1-8H3


key: CAN_SMILES
value:
  Cc1cnc2c(n1)c(cc(c2c1cc2c(o1)c1c([SiH2]2)cc[se]1)F)c1cc2c([se]1)c1c([SiH2]2)cc(o1)c1c(F)ccc2c1ncc(n2)C	


key: InChI
value:
  InChI=1S/C34H20F2N4O2Se2Si2/c1-13-11-37-29-18(39-13)4-3-16(35)26(29)19-8-24-32(42-19)34-25(46-24)10-21(44-34)15-7-17(36)27(30-28(15)40-14(2)12-38-30)20-9-23-31(41-20)33-22(45-23)5-6-43-33/h3-12H,45-46H2,1-2H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1c(sc(c1F)c1c(SC)c(C)c(c2c1nc(F)c(n2)C)c1c(C)c(c(n1C)c1sc(cc1OC)c1sccc1C)OC)c1cc(c(s1)c1sc(c(c1)OC)c1c(OC)c(c(n1C)c1c(C)c(SC)c(c2c1nc(C)c(n2)F)c1scc(c1F)SC)C)C	


key: InChI
value:
  InChI=1S/C66H60F4N6O4S10/c1-25-19-20-85-55(25)36-22-33(77-11)59(88-36)51-53(79-13)30(6)50(75(51)9)40-28(4)58(83-17)42(48-46(40)72-32(8)66(70)74-48)63-44(68)64(84-18)61(90-63)35-21-26(2)56(87-35)37-23-34(78-12)60(89-37)52-54(80-14)29(5)49(76(52)10)39-27(3)57(82-16)41(62-43(67)38(81-15)24-86-62)47-45(39)71-31(7)65(69)73-47/h19-24H,1-18H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)OC)c1c(c(co1)C)SC)OC)C)c1c(c(c(o1)c1oc2c3[se]c(cc3[SiH2]c2c1)c1c(c(c(c2c(c(c(c3c2nc(c(n3)OC)C)c2c(c(c(o2)c2oc3c4[se]ccc4[SiH2]c3c2)F)C)C)OC)o1)SC)C)F)C	


key: CAN_SMILES
value:
  CSc1c(C)c(oc1c1c(OC)c(C)c(c2c1nc(C)c(n2)OC)c1oc(c(c1C)F)c1cc2c(o1)c1c([SiH2]2)cc[se]1)c1cc2c([se]1)c1c([SiH2]2)cc(o1)c1oc(c(c1F)C)c1c(C)c(OC)c(c2c1nc(OC)c(n2)C)c1occ(c1SC)C	


key: InChI
value:
  InChI=1S/C62H52F2N4O10S2Se2Si2/c1-21-20-73-55(57(21)79-13)38-44-42(67-61(71-11)27(7)65-44)36(22(2)47(38)69-9)49-25(5)41(64)52(78-49)30-18-34-54(75-30)60-35(84-34)19-31(82-60)46-26(6)58(80-14)56(76-46)39-45-43(68-62(72-12)28(8)66-45)37(23(3)48(39)70-10)50-24(4)40(63)51(77-50)29-17-33-53(74-29)59-32(83-33)15-16-81-59/h15-20H,83-84H2,1-14H3


key: SMILES
value:
  c1(c2c(c([se]1)c1ccc[se]1)C(=O)c1c(C2=O)cc(c(c1)F)OC)c1cc(c([se]1)c1c(c2c(cc(o2)c2ccc(c3c4c(c([se]3)c3cc(c([se]3)c3c(c5c(cco5)n3C)OC)OC)C(=O)c3c(C4=O)cc(c(c3)OC)F)[se]2)n1C)OC)OC	


key: CAN_SMILES
value:
  COc1cc([se]c1c1n(C)c2c(c1OC)oc(c2)c1ccc([se]1)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)F)OC)c1cc(c([se]1)c1n(C)c2c(c1OC)occ2)OC)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)F)c1ccc[se]1	


key: InChI
value:
  InChI=1S/C60H38F2N2O12Se6/c1-63-29-13-14-75-51(29)53(73-7)45(63)55-34(71-5)21-40(79-55)60-44-42(48(66)24-17-28(62)32(70-4)19-26(24)50(44)68)58(82-60)38-12-11-36(78-38)33-20-30-52(76-33)54(74-8)46(64(30)2)56-35(72-6)22-39(80-56)59-43-41(57(81-59)37-10-9-15-77-37)47(65)23-16-27(61)31(69-3)18-25(23)49(43)67/h9-22H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)OC)c1c(c(co1)C)SC)OC)C)c1c(c(c(o1)c1c(c2c(c(c(o2)c2c(c(c(c3c(c(c(c4c3nc(c(n4)OC)C)c3c(c(c(o3)c3c(c4c(c(co4)OC)n3C)OC)F)C)C)OC)o2)SC)C)OC)n1C)OC)F)C	


key: CAN_SMILES
value:
  CSc1c(C)c(oc1c1c(OC)c(C)c(c2c1nc(C)c(n2)OC)c1oc(c(c1C)F)c1c(OC)c2c(n1C)c(co2)OC)c1oc2c(c1OC)n(c(c2OC)c1oc(c(c1F)C)c1c(C)c(OC)c(c2c1nc(OC)c(n2)C)c1occ(c1SC)C)C	


key: InChI
value:
  InChI=1S/C64H62F2N6O14S2/c1-23-21-81-51(61(23)87-19)34-40-38(69-63(79-17)29(7)67-40)32(24(2)46(34)74-12)48-27(5)37(66)54(84-48)44-56(77-15)59-45(72(44)10)57(78-16)60(86-59)50-28(6)62(88-20)52(85-50)35-41-39(70-64(80-18)30(8)68-41)33(25(3)47(35)75-13)49-26(4)36(65)53(83-49)43-55(76-14)58-42(71(43)9)31(73-11)22-82-58/h21-22H,1-20H3


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C36H18F4N4O4S6/c1-49-33-34(50-2)42-23-12(5-11(37)6-16(23)41-33)19-9-18-32(54-19)30-28(47-18)22(40)27(48-30)21-14(38)7-13(24-25(21)44-36(52-4)35(43-24)51-3)20-8-17-31(53-20)29-26(46-17)15(39)10-45-29/h5-10H,1-4H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1oc2c(c(c3c(c2)c(c(n3C)c2cc3c(cc(c4cc(c(c5c4nc(c(n5)c4cc(c(c(c4)F)OC)C)c4cc(c(c(c4)SC)SC)C)c4c(c5c(s4)c(c(o5)c4oc5c(c(c6c(c5)c(cn6C)F)F)c4F)SC)C)OC)s3)s2)F)F)c1F)SC)C	


key: CAN_SMILES
value:
  CSc1cc(cc(c1SC)C)c1nc2c(cc(c(c2nc1c1cc(C)c(c(c1)F)OC)c1sc2c(c1C)oc(c2SC)c1oc2c(c1F)c(F)c1c(c2)c(F)cn1C)OC)c1cc2c(s1)cc(s2)c1c(F)c2c(n1C)c(F)c1c(c2)oc(c1F)c1oc2c(c1SC)sc(c2C)c1c(OC)cc(c2c1nc(c1cc(C)c(c(c1)F)OC)c(n2)c1cc(C)c(c(c1)SC)SC)c1sc2c(c1)scc2	


key: InChI
value:
  InChI=1S/C102H72F8N6O8S12/c1-37-21-43(25-51(103)87(37)119-11)76-78(45-23-39(3)95(127-15)65(27-45)125-13)111-80-48(59-33-61-58(132-59)19-20-131-61)30-54(117-9)69(82(80)113-76)97-42(6)90-102(135-97)100(130-18)94(124-90)92-75(110)68-57(122-92)32-50-71(106)86(116(8)85(50)73(68)108)64-35-63-62(134-64)34-60(133-63)49-31-55(118-10)70(83-81(49)112-79(46-24-40(4)96(128-16)66(28-46)126-14)77(114-83)44-22-38(2)88(120-12)52(104)26-44)98-41(5)89-101(136-98)99(129-17)93(123-89)91-74(109)67-56(121-91)29-47-53(105)36-115(7)84(47)72(67)107/h19-36H,1-18H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cn1C)C)OC)C)c1c(c(c(o1)c1ccc(c2cc(c(n2C)c2c(c(c(c3cc(c(c4c3nn(n4)C)c3c(c(c(o3)c3ccc(c4cc(cn4C)SC)s3)F)C)C)n2C)OC)C)SC)s1)F)C	


key: CAN_SMILES
value:
  CSc1cn(c(c1)c1ccc(s1)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)c(c(c1OC)C)c1c(SC)cc(n1C)c1ccc(s1)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)cc(c1OC)C)C	


key: InChI
value:
  InChI=1S/C60H58F2N10O4S4/c1-27-21-34(52-55(73-13)29(3)25-68(52)8)47-49(65-71(11)63-47)43(27)56-31(5)46(62)60(76-56)41-20-18-39(80-41)37-24-42(78-16)54(69(37)9)51-32(6)58(74-14)53(70(51)10)35-22-28(2)44(50-48(35)64-72(12)66-50)57-30(4)45(61)59(75-57)40-19-17-38(79-40)36-23-33(77-15)26-67(36)7/h17-26H,1-16H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1ccc(c(c1)SC)OC)SC)OC)c1c(cc(c2ccc(s2)c2c(c(c(c3c2nc(c(n3)c2ccc(c(c2)SC)OC)c2cc(c(c(c2)F)SC)F)c2c(cc(c3cccs3)o2)C)OC)SC)o1)C	


key: CAN_SMILES
value:
  CSc1cc2nc(c3cc(F)c(c(c3)F)SC)c(nc2c(c1OC)c1oc(cc1C)c1ccc(s1)c1c(SC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1ccc(c(c1)SC)OC)c1oc(cc1C)c1cccs1)c1ccc(c(c1)SC)OC	


key: InChI
value:
  InChI=1S/C68H54F4N4O6S8/c1-31-22-44(46-14-13-21-89-46)81-63(31)54-61-60(76-58(36-26-39(71)67(87-11)40(72)27-36)56(75-61)34-16-18-43(78-4)50(29-34)84-8)52(68(88-12)65(54)80-6)48-20-19-47(90-48)45-23-32(2)62(82-45)53-59-41(30-51(85-9)64(53)79-5)73-57(35-24-37(69)66(86-10)38(70)25-35)55(74-59)33-15-17-42(77-3)49(28-33)83-7/h13-30H,1-12H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(co1)SC)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(cs3)OC)c2ccc(cc2)C)c1C)F	


key: InChI
value:
  InChI=1S/C49H33F3O7S3/c1-20-8-10-24(11-9-20)37-35-23(4)44(59-46(35)36(38-34(56-6)19-61-49(37)38)25-12-22(3)41(52)29(50)14-25)45-30(51)17-33(58-45)48-40-39(47(62-48)32-15-26(60-7)18-57-32)43(54)28-16-31(55-5)21(2)13-27(28)42(40)53/h8-19H,1-7H3


key: CAN_SMILES
value:
  CSc1coc(c1)c1sc(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1)F	


key: SMILES
value:
  c1(c2c(c(s1)c1cc(co1)SC)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1ccc(c2cc(c(o2)c2c(cc(c3c4c(c(s3)c3cc(c(o3)c3ccc(c5cc(co5)SC)s3)F)C(=O)c3c(C4=O)cc(c(c3)C)OC)o2)SC)SC)s1)F	


key: CAN_SMILES
value:
  CSc1coc(c1)c1sc(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1oc(c(c1)F)c1ccc(s1)c1cc(c(o1)c1oc(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1oc(c(c1)F)c1ccc(s1)c1occ(c1)SC)SC	


key: InChI
value:
  InChI=1S/C64H40F2O12S8/c1-25-13-29-31(17-35(25)71-3)55(69)49-50(53(29)67)62(85-61(49)39-16-28(80-6)24-74-39)40-19-34(66)58(76-40)46-12-10-44(84-46)38-21-47(81-7)59(75-38)60-48(82-8)22-42(78-60)64-52-51(54(68)30-14-26(2)36(72-4)18-32(30)56(52)70)63(86-64)41-20-33(65)57(77-41)45-11-9-43(83-45)37-15-27(79-5)23-73-37/h9-24H,1-8H3


key: SMILES
value:
  c1(c2c(c([se]1)c1cc(c[se]1)F)C(=O)c1c(C2=O)cc(c(c1)OC)SC)c1cc(c(o1)c1cc2c(c3c(c(c(o3)c3c(cc(c4c5c(c([se]4)c4cc(c(o4)c4cc6c(c7c(c(co7)F)s6)s4)F)C(=O)c4c(C5=O)cc(c(c4)SC)OC)[se]3)F)F)s2)s1)F	


key: CAN_SMILES
value:
  CSc1cc2c(cc1OC)C(=O)c1c(C2=O)c([se]c1c1[se]c(c(c1)F)c1oc2c(c1F)sc1c2sc(c1)c1oc(cc1F)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)SC)OC)c1[se]cc(c1)F)c1oc(c(c1)F)c1cc2c(s1)c1c(s2)c(co1)F	


key: InChI
value:
  InChI=1S/C60H24F6O10S6Se4/c1-71-26-6-18-20(8-30(26)77-3)45(69)38-40(43(18)67)59(36-5-17(61)16-83-36)85-57(38)28-10-23(63)48(74-28)33-14-35-54(80-33)51-55(82-35)42(66)49(76-51)56-24(64)12-37(84-56)60-41-39(46(70)21-9-31(78-4)27(72-2)7-19(21)44(41)68)58(86-60)29-11-22(62)47(75-29)32-13-34-53(79-32)50-52(81-34)25(65)15-73-50/h5-16H,1-4H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)C)C(=O)c1c(sc(c1C2=O)F)SC)c1ccc(s1)c1ccc(c2cc(c(n2C)c2c(cc(c3c4c(c(o3)c3ccc(s3)c3ccc(c5cc(cn5C)SC)s3)C(=O)c3c(C4=O)c(sc3F)SC)s2)C)SC)s1	


key: CAN_SMILES
value:
  CSc1cn(c(c1)c1ccc(s1)c1ccc(s1)c1oc(c2c1C(=O)c1c(C2=O)c(sc1F)SC)c1sc(c(c1)C)c1c(SC)cc(n1C)c1ccc(s1)c1ccc(s1)c1oc(c2c1C(=O)c1c(C2=O)c(sc1F)SC)c1scc(c1)C)C	


key: InChI
value:
  InChI=1S/C60H38F2N2O6S12/c1-23-17-37(75-22-23)54-41-39(48(65)43-45(50(41)67)59(73-7)81-57(43)61)52(69-54)34-15-14-33(79-34)31-12-10-29(77-31)27-20-36(72-6)47(64(27)4)56-24(2)18-38(80-56)55-42-40(49(66)44-46(51(42)68)60(74-8)82-58(44)62)53(70-55)35-16-13-32(78-35)30-11-9-28(76-30)26-19-25(71-5)21-63(26)3/h9-22H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)OC)c1c(c(co1)C)SC)OC)C)c1c(c(c(o1)c1ccc(c2cc(c(n2C)c2c(c(c(c3c(c(c(c4c3nc(c(n4)OC)C)c3c(c(c(o3)c3ccc(c4cc(cn4C)OC)o3)F)C)C)OC)o2)SC)C)OC)o1)F)C	


key: CAN_SMILES
value:
  COc1cn(c(c1)c1ccc(o1)c1oc(c(c1F)C)c1c(C)c(OC)c(c2c1nc(OC)c(n2)C)c1oc(c(c1SC)C)c1c(OC)cc(n1C)c1ccc(o1)c1oc(c(c1F)C)c1c(C)c(OC)c(c2c1nc(OC)c(n2)C)c1occ(c1SC)C)C	


key: InChI
value:
  InChI=1S/C66H62F2N6O12S2/c1-27-26-81-61(63(27)87-17)45-51-49(71-65(79-15)33(7)69-51)43(28(2)54(45)77-13)56-31(5)48(68)60(85-56)41-22-20-39(83-41)37-24-42(76-12)53(74(37)10)58-32(6)64(88-18)62(86-58)46-52-50(72-66(80-16)34(8)70-52)44(29(3)55(46)78-14)57-30(4)47(67)59(84-57)40-21-19-38(82-40)36-23-35(75-11)25-73(36)9/h19-26H,1-18H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: InChI
value:
  InChI=1S/C31H20FNO7S2Se/c1-11-9-37-30-23-16(38-26(11)30)8-15(33(23)3)27-14(32)7-17(39-27)28-20-21(29(40-28)18-6-13(41-5)10-42-18)24(34)19-12(2)43-31(36-4)22(19)25(20)35/h6-10H,1-5H3


key: SMILES
value:
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key: InChI
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C88H48F16N6O4S14/c1-25-13-27(17-31(89)15-25)55-57(29-19-35(111-5)43(93)37(21-29)115-9)107-61-41(71-49(99)77-69(121-71)33(91)23-119-77)73(117-11)67(113-7)39(59(61)105-55)63-46(96)76-66(110(63)4)48(98)80(125-76)83-52(102)85-87(127-83)54(104)88(128-85)86-53(103)84-81(126-86)50(100)72(123-84)42-62-60(106-56(28-14-26(2)16-32(90)18-28)58(108-62)30-20-36(112-6)44(94)38(22-30)116-10)40(68(114-8)74(42)118-12)64-45(95)75-65(109(64)3)47(97)79(124-75)82-51(101)78-70(122-82)34(92)24-120-78/h13-24H,1-12H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C66H50F2N6O10S8/c1-23-38(57-61(75-9)63-55(82-57)30(67)22-78-63)43-45(71-91-69-43)40(65(23)87-13)51-28(6)50-54(81-51)26(4)48(74(50)8)36-18-16-34(90-36)32-20-37(86-12)56(79-32)59-42(68)60-64(84-59)62(76-10)58(83-60)39-24(2)66(88-14)41(46-44(39)70-92-72-46)52-27(5)49-53(80-52)25(3)47(73(49)7)35-17-15-33(89-35)31-19-29(85-11)21-77-31/h15-22H,1-14H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(cc(c2c1cc2c(o1)c(c(o2)c1oc2c(c1C)c(C)c1c(c2C)c(F)c(o1)c1oc2c(c1)oc(c2SC)c1cc(SC)c(c2c1nc(SC)cn2)c1cc2c(o1)c(co2)OC)OC)SC)c1oc2c(c1SC)oc(c2)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1	


key: InChI
value:
  InChI=1S/C74H52F2N4O14S6/c1-25-23-84-58-29(5)48-52(75)66(93-60(48)26(2)46(25)58)36-19-39-69(89-36)74(100-14)64(87-39)32-16-43(96-10)51(57-55(32)80-45(98-12)22-78-57)34-18-38-68(86-34)71(82-8)72(91-38)62-28(4)47-27(3)61-49(30(6)59(47)92-62)53(76)67(94-61)37-20-40-70(90-37)73(99-13)63(88-40)31-15-42(95-9)50(56-54(31)79-44(97-11)21-77-56)33-17-35-65(85-33)41(81-7)24-83-35/h15-24H,1-14H3


key: SMILES
value:
  c1(c(c(cc2nonc12)SC)SC)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(c(s3)c1c(c(c(c2c1non2)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC)SC)SC)SC)c1cc(c(c(c1)F)SC)OC)OC	


key: CAN_SMILES
value:
  COc1cc(cc(c1SC)F)c1c2sc(c(c2c(c2c1c(OC)c(n2C)c1c(SC)c(SC)cc2c1non2)c1ccc(c(c1)C)C)SC)c1c(SC)c(SC)c(c2c1non2)c1c(OC)c2c(n1C)c(c1ccc(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)OC)SC)scc1SC	


key: InChI
value:
  InChI=1S/C74H66F2N6O6S10/c1-31-19-21-35(23-33(31)3)46-50-45(90-12)30-97-69(50)48(37-25-39(75)66(91-13)42(27-37)83-7)51-60(46)81(5)63(64(51)85-9)55-58-59(80-88-79-58)56(73(96-18)72(55)95-17)74-71(94-16)53-47(36-22-20-32(2)34(4)24-36)61-52(49(70(53)98-74)38-26-40(76)67(92-14)43(28-38)84-8)65(86-10)62(82(61)6)54-57-41(77-87-78-57)29-44(89-11)68(54)93-15/h19-30H,1-18H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)F)c1c(c(cs1)F)OC)SC)SC)c1c(c(c(n1C)c1[se]c2c3[se]c(cc3[nH]c2c1)c1c(c(c(c2c(c(c(c3c2nc(c(n3)F)C)c2c(c(c(n2C)c2[se]c3c4[se]ccc4[nH]c3c2)F)F)SC)SC)s1)OC)F)F)F	


key: CAN_SMILES
value:
  COc1c(F)c(sc1c1c(SC)c(SC)c(c2c1nc(C)c(n2)F)c1n(C)c(c(c1F)F)c1cc2c([se]1)c1c([nH]2)cc[se]1)c1cc2c([se]1)c1c([nH]2)cc([se]1)c1n(C)c(c(c1F)F)c1c(SC)c(SC)c(c2c1nc(F)c(n2)C)c1scc(c1OC)F	


key: InChI
value:
  InChI=1S/C58H38F8N8O2S6Se4/c1-17-57(65)71-36-27(49(77-7)51(79-9)29(38(36)67-17)47-44(75-5)19(59)16-81-47)42-34(63)32(61)41(74(42)4)25-14-22-55(85-25)56-23(70-22)15-26(86-56)46-35(64)45(76-6)48(82-46)30-39-37(72-58(66)18(2)68-39)28(50(78-8)52(30)80-10)43-33(62)31(60)40(73(43)3)24-13-21-54(84-24)53-20(69-21)11-12-83-53/h11-16,69-70H,1-10H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)OC)SC)OC)c1oc2c3[se]c(cc3[nH]c2c1)c1cc(c(c2c1nc(c(n2)SC)OC)c1oc2c3[se]ccc3[nH]c2c1)OC	


key: CAN_SMILES
value:
  COc1cc(c2cc3c([se]2)c2c([nH]3)cc(o2)c2c(OC)ccc3c2nc(SC)c(n3)OC)c2c(c1c1cc3c(o1)c1c([nH]3)cc[se]1)nc(c(n2)OC)SC	


key: InChI
value:
  InChI=1S/C38H28N6O6S2Se2/c1-45-21-8-7-16-29(43-37(51-5)35(41-16)47-3)26(21)23-13-19-32(50-23)34-20(40-19)14-25(54-34)15-11-22(46-2)27(30-28(15)42-36(48-4)38(44-30)52-6)24-12-18-31(49-24)33-17(39-18)9-10-53-33/h7-14,39-40H,1-6H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(c[se]1)SC)C(=O)c1c(oc(c1C2=O)C)SC)c1cc(c(o1)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(c(o3)c1c(cc(c2c3c(c(s2)c2cc(c(o2)c2c(c4c(c5c(c(c4n2C)c2cc(c(SC)n2C)SC)c(co5)C)c2cc(c(s2)C)C)F)C)C(=O)c2c(C3=O)c(oc2C)SC)[se]1)SC)C)c1cc(c(s1)C)C)F)C	


key: CAN_SMILES
value:
  CSc1c[se]c(c1)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1oc(c(c1)C)c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)oc(c1C)c1[se]c(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1oc(c(c1)C)c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)occ1C	


key: InChI
value:
  InChI=1S/C94H76F2N4O10S12Se2/c1-33-25-48(119-41(33)9)61-63-71(95)75(99(13)73(63)59(55-37(5)31-105-84(55)61)44-28-51(113-17)91(115-19)97(44)11)81-36(4)24-47(109-81)87-66-68(80(104)70-58(78(66)102)40(8)107-94(70)118-22)89(122-87)54-30-50(112-16)90(124-54)83-38(6)56-60(45-29-52(114-18)92(116-20)98(45)12)74-64(62(85(56)110-83)49-26-34(2)42(10)120-49)72(96)76(100(74)14)82-35(3)23-46(108-82)86-65-67(88(121-86)53-27-43(111-15)32-123-53)79(103)69-57(77(65)101)39(7)106-93(69)117-21/h23-32H,1-22H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cccc(c1)OC)c1cc(c(c(c1)OC)F)SC)SC)F)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)cc(s3)c1c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cccc(c1)OC)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)ccs3)c1cc(c(o1)F)OC)F)SC)c1cc(c(o1)F)OC	


key: CAN_SMILES
value:
  COc1cccc(c1)c1nc2c(c3sc4c(c3)c(c3cc(c(n3C)F)SC)c3c(c4c4cc(c(o4)F)OC)cc(n3C)c3c(F)c(SC)cc4c3nc(c3cc(OC)c(c(c3)SC)F)c(n4)c3cccc(c3)OC)c(SC)c(c(c2nc1c1cc(OC)c(c(c1)SC)F)c1cc2c(n1C)c(c1cc(c(n1C)F)SC)c1c(c2c2cc(c(o2)F)OC)scc1)F	


key: InChI
value:
  InChI=1S/C92H70F8N8O8S8/c1-105-50(70-75(95)63(119-13)34-49-81(70)102-79(41-27-56(111-7)73(93)61(29-41)117-11)77(101-49)39-19-17-21-43(25-39)109-5)32-47-69(55-38-59(114-10)92(100)116-55)87-48(67(85(47)105)53-36-65(121-15)90(98)108(53)4)33-60(124-87)72-83-82(104-80(42-28-57(112-8)74(94)62(30-42)118-12)78(103-83)40-20-18-22-44(26-40)110-6)71(76(96)88(72)122-16)51-31-46-68(54-37-58(113-9)91(99)115-54)86-45(23-24-123-86)66(84(46)106(51)2)52-35-64(120-14)89(97)107(52)3/h17-38H,1-16H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1cc(c(c2c(cc(n2C)c2cc3c(cc(c4cc(c(c5c4nc(c(n5)c4cc(c(c(c4)F)OC)C)c4cc(c(c(c4)SC)SC)C)c4c(c5c(s4)c(c(o5)c4cc(c(c5c(ccn5C)F)s4)SC)SC)C)OC)s3)s2)F)s1)SC)SC)C	


key: CAN_SMILES
value:
  CSc1cc(sc1c1c(F)cc(n1C)c1sc2c(c1)sc(c2)c1cc(OC)c(c2c1nc(c1cc(C)c(c(c1)SC)SC)c(n2)c1cc(C)c(c(c1)F)OC)c1sc2c(c1C)oc(c2SC)c1sc(c(c1)SC)c1c(F)ccn1C)c1oc2c(c1SC)sc(c2C)c1c(OC)cc(c2c1nc(c1cc(C)c(c(c1)F)OC)c(n2)c1cc(C)c(c(c1)SC)SC)c1sc2c(c1)scc2	


key: InChI
value:
  InChI=1S/C100H80F4N6O6S16/c1-41-25-47(29-55(103)85(41)113-11)75-77(49-27-43(3)91(121-17)69(31-49)117-13)105-79-51(61-36-64-60(126-61)22-24-125-64)33-58(111-9)73(81(79)107-75)93-46(6)88-100(132-93)98(124-20)90(116-88)68-40-72(120-16)96(130-68)84-54(102)35-57(110(84)8)63-38-66-65(128-63)37-62(127-66)52-34-59(112-10)74(94-45(5)87-99(131-94)97(123-19)89(115-87)67-39-71(119-15)95(129-67)83-53(101)21-23-109(83)7)82-80(52)106-78(50-28-44(4)92(122-18)70(32-50)118-14)76(108-82)48-26-42(2)86(114-12)56(104)30-48/h21-40H,1-20H3


key: InChI
value:
  InChI=1S/C28H15FGeO4S5/c1-10-19-12(9-37-10)22(31)20-21(23(19)32)25(16-5-11(29)8-38-16)34-26(20)17-7-18(35-2)28(39-17)15-6-14-24(33-15)27-13(30-14)3-4-36-27/h3-9H,30H2,1-2H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(c(cn2C)SC)n1C)SC)C)F)c1c(c2c(s1)c(c(o2)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(c(o3)c1c(c2c(c(c(c3c(c(c(c4c3nn(n4)C)c3c(c4c(s3)c(c(o4)c3c(c4c(c5c(c(c4n3C)c3cc(c(SC)n3C)SC)c(co5)C)c3cc(c(s3)C)C)F)C)SC)F)C)n2C)SC)n1C)SC)C)c1cc(c(s1)C)C)F)C)SC	


key: CAN_SMILES
value:
  CSc1c(SC)cc(n1C)c1c2c(C)c(oc2c(c2c1n(C)c(c2F)c1oc2c(c1C)sc(c2SC)c1c(F)c(C)c(c2c1nn(n2)C)c1n(C)c2c(c1SC)n(cc2SC)C)c1cc(c(s1)C)C)c1n(C)c2c(c1SC)n(c(c2SC)c1c(C)c(F)c(c2c1nn(n2)C)c1sc2c(c1SC)oc(c2C)c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)occ1C)C	


key: InChI
value:
  InChI=1S/C102H96F4N14O4S14/c1-37-31-49(135-45(37)9)60-62-68(105)79(115(15)75(62)58(54-39(3)36-121-88(54)60)47-33-51(125-21)101(133-29)112(47)12)86-43(7)92-90(123-86)99(131-27)95(137-92)65-67(104)41(5)57(71-73(65)110-120(20)108-71)78-97(129-25)82-83(117(78)17)98(130-26)84(118(82)18)85-42(6)55-59(48-34-52(126-22)102(134-30)113(48)13)76-63(61(89(55)122-85)50-32-38(2)46(10)136-50)69(106)80(116(76)16)87-44(8)93-91(124-87)100(132-28)94(138-93)64-66(103)40(4)56(70-72(64)109-119(19)107-70)77-96(128-24)81-74(114(77)14)53(127-23)35-111(81)11/h31-36H,1-30H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)SC)C(=O)c1c([se]c(c1C2=O)OC)C)c1cc(c(o1)c1c(c2c(c3c(cc2n1C)c(c(s3)c1c(cc(c2c3c(c(o2)c2cc(c(o2)c2c(c4c(c5c(cc4n2C)c(cs5)F)SC)SC)F)C(=O)c2c(C3=O)c([se]c2OC)C)s1)SC)F)SC)SC)F	


key: CAN_SMILES
value:
  CSc1csc(c1)c1oc(c2c1C(=O)c1c(C2=O)c([se]c1C)OC)c1oc(c(c1)F)c1c(SC)c2c(n1C)cc1c(c2SC)sc(c1F)c1sc(cc1SC)c1oc(c2c1C(=O)c1c(C2=O)c([se]c1C)OC)c1oc(c(c1)F)c1c(SC)c2c(n1C)cc1c(c2SC)scc1F	


key: InChI
value:
  InChI=1S/C68H44F4N2O10S10Se2/c1-21-36-44(67(79-5)95-21)51(77)40-42(49(36)75)57(33-13-23(85-7)19-91-33)83-55(40)31-16-26(69)54(81-31)48-63(88-10)39-30(74(48)4)15-25-46(72)66(94-60(25)65(39)90-12)61-35(86-8)18-34(93-61)58-43-41(52(78)45-37(50(43)76)22(2)96-68(45)80-6)56(84-58)32-17-27(70)53(82-32)47-62(87-9)38-29(73(47)3)14-24-28(71)20-92-59(24)64(38)89-11/h13-20H,1-12H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)c1cc(c(s1)c1sc2c3[se]c(cc3[GeH2]c2c1)c1c(cc(c2c3c(c(o2)c2cc(c(s2)c2sc4c5[se]ccc5[GeH2]c4c2)OC)C(=O)c2c(C3=O)ccc(c2)OC)o1)F)OC	


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1sc(c(c1)OC)c1cc2c(s1)c1c([GeH2]2)cc[se]1)c1oc(c(c1)F)c1cc2c([se]1)c1c([GeH2]2)cc(s1)c1sc(cc1OC)c1oc(c2c1C(=O)c1c(C2=O)ccc(c1)OC)c1occ(c1)F	


key: InChI
value:
  InChI=1S/C60H32F2Ge2O12S4Se2/c1-69-22-5-7-24-26(12-22)48(67)44-42(46(24)65)51(33-11-21(61)20-73-33)75-53(44)37-18-36(72-4)58(77-37)40-16-31-56(80-40)60-32(64-31)17-41(82-60)50-28(62)14-34(74-50)52-43-45(49(68)27-13-23(70-2)6-8-25(27)47(43)66)54(76-52)38-19-35(71-3)57(78-38)39-15-30-55(79-39)59-29(63-30)9-10-81-59/h5-20H,63-64H2,1-4H3


key: SMILES
value:
  c1(c2c(c([se]1)c1ccc[se]1)C(=O)c1c(C2=O)cc(c(c1)F)OC)c1cc(c([se]1)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(c(s3)c2ccc(c3c4c(c([se]3)c3cc(c([se]3)c3sc5c(c(c6c(c5c5cc(cc(c5)F)SC)c(cs6)C)c5cc(cc(c5)C)OC)c3)OC)C(=O)c3c(C4=O)cc(c(c3)OC)F)[se]2)C)c2cc(cc(c2)C)OC)c1)OC	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2sc(c(c2c(c2c1cc(s2)c1[se]c(cc1OC)c1[se]c(c2c1C(=O)c1cc(OC)c(cc1C2=O)F)c1ccc[se]1)c1cc(F)cc(c1)SC)C)c1ccc([se]1)c1[se]c(c2c1C(=O)c1cc(F)c(cc1C2=O)OC)c1cc(c([se]1)c1cc2c(s1)c(c1cc(F)cc(c1)SC)c1c(c2c2cc(C)cc(c2)OC)scc1C)OC	


key: InChI
value:
  InChI=1S/C96H62F4O10S6Se6/c1-39-18-43(24-49(20-39)105-5)74-57-34-65(114-87(57)76(72-41(3)38-113-89(72)74)45-22-47(97)28-51(26-45)111-11)91-64(110-10)37-71(120-91)96-81-79(83(102)54-31-60(100)62(108-8)33-56(54)85(81)104)94(122-96)69-16-15-67(118-69)86-42(4)73-77(46-23-48(98)29-52(27-46)112-12)88-58(75(90(73)116-86)44-19-40(2)21-50(25-44)106-6)35-66(115-88)92-63(109-9)36-70(119-92)95-80-78(93(121-95)68-14-13-17-117-68)82(101)53-30-59(99)61(107-7)32-55(53)84(80)103/h13-38H,1-12H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)F)C)c1cc(cc(c1)OC)SC)c1c(c(cn1C)OC)SC)SC)SC)c1ccc(o1)c1c(cc(c2cccn2C)o1)C	


key: InChI
value:
  InChI=1S/C47H45FN4O4S4/c1-24-17-27(18-25(2)38(24)48)39-40(28-20-29(53-6)22-30(21-28)57-8)49-41-36(32-14-15-33(55-32)44-26(3)19-34(56-44)31-13-12-16-51(31)4)46(59-10)47(60-11)37(42(41)50-39)43-45(58-9)35(54-7)23-52(43)5/h12-23H,1-11H3


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3oc(cc3C)c3cccn3C)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


key: SMILES
value:
  c1(c(ccc2c1ncc(n2)C)F)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)c(c(o3)c2cc(c(c3c2nc(cn3)C)c2oc3c(c(c4c(c3c3cc(c(c(c3)C)C)C)c(co4)OC)c3cc(c(c(c3)F)C)F)c2SC)F)OC)c2cc(c(c(c2)F)C)F)c1SC	


key: CAN_SMILES
value:
  COc1c(oc2c1c(c1cc(C)c(c(c1)C)C)c1oc(c(c1c2c1cc(F)c(c(c1)F)C)SC)c1c(F)ccc2c1ncc(n2)C)c1cc(F)c(c2c1nc(C)cn2)c1oc2c(c1SC)c(c1cc(F)c(c(c1)F)C)c1c(c2c2cc(C)c(c(c2)C)C)c(OC)co1	


key: InChI
value:
  InChI=1S/C74H56F6N4O6S2/c1-29-17-39(18-30(2)35(29)7)52-58-51(85-11)28-87-66(58)54(41-21-45(76)37(9)46(77)22-41)60-68(52)89-72(73(60)91-13)57-49(80)25-43(62-64(57)82-27-34(6)84-62)65-70(86-12)59-53(40-19-31(3)36(8)32(4)20-40)69-61(55(67(59)88-65)42-23-47(78)38(10)48(79)24-42)74(92-14)71(90-69)56-44(75)15-16-50-63(56)81-26-33(5)83-50/h15-28H,1-14H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)SC)C(=O)c1c([se]c(c1C2=O)OC)C)c1cc(c(o1)c1c(cc(c2ccc(s2)c2c(cc(c3c4c(c(o3)c3cc(c(o3)c3c(cc(c5cccs5)o3)C)F)C(=O)c3c(C4=O)c([se]c3OC)C)s2)SC)o1)C)F	


key: CAN_SMILES
value:
  CSc1cc(sc1c1ccc(s1)c1cc(c(o1)c1oc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)c([se]c1OC)C)c1scc(c1)SC)C)c1oc(c2c1C(=O)c1c(C2=O)c([se]c1C)OC)c1cc(c(o1)c1oc(cc1C)c1cccs1)F	


key: InChI
value:
  InChI=1S/C60H36F2O12S6Se2/c1-21-14-28(32-10-9-13-77-32)69-50(21)52-26(61)18-31(72-52)55-41-43(47(64)39-24(4)82-60(68-6)45(39)49(41)66)57(74-55)36-19-37(76-8)58(80-36)34-12-11-33(79-34)29-15-22(2)51(70-29)53-27(62)17-30(71-53)54-40-42(56(73-54)35-16-25(75-7)20-78-35)46(63)38-23(3)81-59(67-5)44(38)48(40)65/h9-20H,1-8H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(cc1)F)F)c1ccccc1)SC)C)c1[se]c2c3oc(cc3[SiH2]c2c1)c1c(c(c(c2c1nc(c(n2)c1ccccc1)c1cc(c(cc1)F)F)c1[se]c2c3occc3[SiH2]c2c1)C)SC	


key: CAN_SMILES
value:
  CSc1cc2nc(c3ccc(c(c3)F)F)c(nc2c(c1C)c1cc2c([se]1)c1c([SiH2]2)cc(o1)c1c(SC)c(C)c(c2c1nc(c1ccc(c(c1)F)F)c(n2)c1ccccc1)c1[se]c2c(c1)[SiH2]c1c2occ1)c1ccccc1	


key: InChI
value:
  InChI=1S/C60H38F4N4O2S2Se2Si2/c1-27-39(71-3)23-37-53(66-49(29-11-7-5-8-12-29)51(65-37)31-15-17-33(61)35(63)21-31)46(27)40-25-45-60(74-40)57-43(76-45)24-38(70-57)48-55-54(47(28(2)58(48)72-4)41-26-44-59(73-41)56-42(75-44)19-20-69-56)67-50(30-13-9-6-10-14-30)52(68-55)32-16-18-34(62)36(64)22-32/h5-26H,75-76H2,1-4H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(cs2)F)C)F)C)c1c(c2c(cc(s2)c2sc3c(c(c4c(c3OC)c(c(n4C)c3c(c4c(c(c(c5c(c(c(c6c5nsn6)c5c(c6c(cc(s6)c6sc7c(c(c8c(c7OC)c(cn8C)C)OC)c6C)n5C)OC)C)F)o4)C)s3)F)C)OC)c2C)n1C)OC	


key: CAN_SMILES
value:
  COc1c2c(C)c(sc2c(c2c1n(C)c(c2C)c1sc2c(c1F)oc(c2C)c1c(F)c(C)c(c2c1nsn2)c1n(C)c2c(c1OC)sc(c2)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cn1C)OC)c1cc2c(s1)c(c(n2C)c1c(C)c(F)c(c2c1nsn2)c1oc2c(c1C)scc2F)OC	


key: InChI
value:
  InChI=1S/C74H58F4N8O8S8/c1-23-21-83(9)52-36(23)61(89-15)72-40(59(52)87-13)27(5)66(98-72)34-19-32-70(96-34)65(92-18)54(84(32)10)38-25(3)45(77)43(50-48(38)80-102-82-50)57-30(8)69-63(94-57)46(78)74(100-69)51-26(4)39-55(86(51)12)60(88-14)41-28(6)67(99-73(41)62(39)90-16)35-20-33-71(97-35)64(91-17)53(85(33)11)37-24(2)44(76)42(49-47(37)79-101-81-49)56-29(7)68-58(93-56)31(75)22-95-68/h19-22H,1-18H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(ccs2)n1C)SC)SC)OC)c1c(c2c(c(c(o2)c2[se]c3c4oc(cc4[SiH2]c3c2)c2cc3c(c(c(c4c(c(c(c5c4nn(n5)C)c4c(c5c(c(c(o5)c5[se]c6c7occc7[SiH2]c6c5)C)n4C)F)OC)SC)n3C)SC)s2)C)n1C)F	


key: CAN_SMILES
value:
  CSc1c(c2c(SC)c(OC)c(c3c2nn(n3)C)c2c(F)c3c(n2C)c(c(o3)c2cc3c([se]2)c2c([SiH2]3)cco2)C)n(c2c1sc(c2)c1cc2c(o1)c1c([SiH2]2)cc([se]1)c1oc2c(c1C)n(c(c2F)c1c(OC)c(SC)c(c2c1nn(n2)C)c1c(SC)c2c(n1C)ccs2)C)C	


key: InChI
value:
  InChI=1S/C66H54F2N10O6S6Se2Si2/c1-23-45-57(83-51(23)29-21-33-65(91-29)53-31(93-33)15-17-81-53)39(67)48(75(45)5)36-42-44(72-78(8)70-42)38(62(86-12)56(36)80-10)50-64(88-14)60-26(74(50)4)19-28(90-60)27-20-32-54(82-27)66-34(94-32)22-30(92-66)52-24(2)46-58(84-52)40(68)47(76(46)6)35-41-43(71-77(7)69-41)37(61(85-11)55(35)79-9)49-63(87-13)59-25(73(49)3)16-18-89-59/h15-22H,93-94H2,1-14H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1c(cc(c2ccc(o2)c2c(c3c(c(c(c4c(c(c(c5c4nsn5)c4c(c5c(o4)c(c(n5C)c4c(cc(c5ccco5)s4)C)C)C)SC)C)o3)OC)o2)F)s1)C)C)C	


key: CAN_SMILES
value:
  COc1c2oc(c(c2oc1c1c(C)c(SC)c(c2c1nsn2)c1oc2c(c1C)n(c(c2C)c1sc(cc1C)c1ccco1)C)F)c1ccc(o1)c1cc(c(s1)c1c(C)c2c(n1C)c(c(o2)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)C)C	


key: InChI
value:
  InChI=1S/C66H50F2N6O10S6/c1-23-20-35(32-16-15-19-77-32)87-63(23)48-29(7)52-46(73(48)9)27(5)51(80-52)40-45-43(70-90-72-45)38(26(4)66(40)86-14)57-60(76-12)62-58(84-57)41(68)55(83-62)34-18-17-33(79-34)36-21-24(2)64(88-36)49-30(8)53-47(74(49)10)28(6)50(81-53)39-44-42(69-89-71-44)37(25(3)65(39)85-13)56-59(75-11)61-54(82-56)31(67)22-78-61/h15-22H,1-14H3


key: InChI
value:
  InChI=1S/C16H12N2O2S2/c1-9-8-12(13-4-3-7-21-13)20-16(9)14-11(19-2)6-5-10-15(14)18-22-17-10/h3-8H,1-2H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(co1)SC)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(c(s3)c2c(cc(c3c4c(c(s3)c3cc(c(o3)c3oc5c(c(c6c(c5c5cc(c(c(c5)C)F)F)c(cs6)OC)c5ccc(cc5)C)c3C)F)C(=O)c3c(C4=O)cc(c(c3)C)OC)o2)SC)OC)c2ccc(cc2)C)c1C)F	


key: CAN_SMILES
value:
  CSc1coc(c1)c1sc(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1oc(c(c1)F)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)c(s1)c1oc(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1)F	


key: InChI
value:
  InChI=1S/C98H64F6O14S6/c1-37-15-19-45(20-16-37)70-66-43(7)84(117-89(66)68(72-64(111-11)36-121-96(70)72)47-23-41(5)78(103)54(99)27-47)86-57(102)33-62(115-86)94-75-76(83(108)53-31-59(110-10)40(4)26-51(53)81(75)106)95(123-94)63-34-65(120-14)88(116-63)98-91(112-12)77-69(48-24-42(6)79(104)55(100)28-48)90-67(71(97(77)124-98)46-21-17-38(2)18-22-46)44(8)85(118-90)87-56(101)32-61(114-87)93-74-73(92(122-93)60-29-49(119-13)35-113-60)82(107)52-30-58(109-9)39(3)25-50(52)80(74)105/h15-36H,1-14H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1c(cc(c2ccc(s2)c2c(c(c(c3c(c(c(c4c3nc(c(n4)c3ccc(c(c3)SC)F)c3ccc(cc3)SC)c3c(c(c(n3C)c3c(cc(c4cccs4)o3)C)OC)F)F)SC)o2)F)SC)o1)C)OC)F	


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3oc(c(c3F)SC)c3ccc(s3)c3oc(c(c3)C)c3c(OC)c(c(n3C)c3c(F)c(SC)c(c4c3nc(c3ccc(c(c3)SC)F)c(n4)c3ccc(cc3)SC)c3occ(c3F)SC)F)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)c1oc(cc1C)c1cccs1)OC)F	


key: InChI
value:
  InChI=1S/C86H64F8N6O6S10/c1-37-32-47(49-16-15-31-115-49)104-77(37)75-82(101-5)63(93)74(99(75)3)56-61(91)85(113-13)58(72-70(56)98-68(42-22-28-46(88)53(35-42)110-10)66(96-72)40-19-25-44(108-8)26-20-40)81-64(94)86(114-14)79(106-81)51-30-29-50(116-51)48-33-38(2)78(105-48)76-83(102-6)62(92)73(100(76)4)55-60(90)84(112-12)57(80-59(89)54(111-11)36-103-80)71-69(55)97-67(41-21-27-45(87)52(34-41)109-9)65(95-71)39-17-23-43(107-7)24-18-39/h15-36H,1-14H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1ccc(c(c1)C)F)c1ccc(c(c1)C)OC)OC)F)c1oc2c3sc(cc3[GeH2]c2c1)c1c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)OC)c1ccc(c(c1)C)F)c1oc2c3sccc3[GeH2]c2c1)F)OC	


key: CAN_SMILES
value:
  COc1ccc(cc1C)c1nc2c(c3oc4c(c3)[GeH2]c3c4scc3)c(F)c(c(c2nc1c1ccc(c(c1)C)F)c1sc2c(c1)[GeH2]c1c2oc(c1)c1c(F)c(OC)cc2c1nc(c1ccc(c(c1)C)OC)c(n2)c1ccc(c(c1)C)F)OC	


key: InChI
value:
  InChI=1S/C64H46F4Ge2N4O6S2/c1-27-19-31(9-13-35(27)65)53-54(33-11-15-42(75-5)29(3)21-33)72-57-41(71-53)26-46(77-7)51(67)48(57)44-24-39-61(80-44)64-40(70-39)25-47(82-64)50-59-58(49(52(68)62(50)78-8)45-23-38-60(79-45)63-37(69-38)17-18-81-63)73-56(34-12-16-43(76-6)30(4)22-34)55(74-59)32-10-14-36(66)28(2)20-32/h9-26H,69-70H2,1-8H3


key: InChI
value:
  InChI=1S/C33H27F2N7O2S2Se2/c1-39-12-17(43-5)23-26(39)30(45-6)25(40(23)2)19-14(34)10-13(21-22(19)38-42(4)37-21)28-31(46-7)27-29(44-28)20(35)24(41(27)3)18-11-16-33(48-18)32-15(36-16)8-9-47-32/h8-12,36H,1-7H3


key: InChI
value:
  InChI=1S/C34H33F2N7O5S2/c1-39-12-16(44-6)22-27(39)33(49-9)24(40(22)2)18-15(35)11-14(20-21(18)38-43(5)37-20)29-34(50-10)28-30(48-29)19(36)25(42(28)4)26-31(46-8)32-23(41(26)3)17(45-7)13-47-32/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C33H26FN3O5S4/c1-13-21(30-31(38-5)32-29(42-30)17(34)12-40-32)23-24(36-46-35-23)22(33(13)44-7)27-15(3)26-28(41-27)14(2)25(37(26)4)20-9-8-19(45-20)18-10-16(43-6)11-39-18/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C34H30F2N6O3S3/c1-15-12-18(20-10-9-11-48-20)44-30(15)27-22(36)32-29(41(27)4)34(47-8)31(45-32)16-13-17(35)21(24-23(16)37-42(5)38-24)26-33(46-7)28-25(40(26)3)19(43-6)14-39(28)2/h9-14H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1oc2c(c(c3c(c2C)c(co3)C)C)c1F)C)C	


key: InChI
value:
  InChI=1S/C37H29F2N3O6S2/c1-12-10-44-28-14(3)20-23(39)34(47-29(20)13(2)19(12)28)27-17(6)31-26(42(27)7)16(5)30(46-31)22-25-24(40-50-41-25)21(15(4)37(22)49-9)33-35(43-8)36-32(48-33)18(38)11-45-36/h10-11H,1-9H3


key: InChI
value:
  InChI=1S/C34H30F2N6O3S3/c1-15-12-20(18-10-9-11-44-18)48-32(15)27-22(36)31-29(41(27)4)34(47-8)30(45-31)16-13-17(35)21(24-23(16)37-42(5)38-24)26-33(46-7)28-25(40(26)3)19(43-6)14-39(28)2/h9-14H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)C)C	


key: InChI
value:
  InChI=1S/C47H38F2N4O4S7/c1-17-28-31(25-14-22(48)21(5)62-25)47-32(26(58-9)16-61-47)30(24-12-13-27(59-10)63-24)39(28)53(7)36(17)37-19(3)41-38(52(37)6)20(4)40(56-41)33-35-34(50-64-51-35)29(18(2)46(33)60-11)43-44(54-8)45-42(57-43)23(49)15-55-45/h12-16H,1-11H3


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)csc2c(c2c1n(C)c(c2C)c1c(C)c2c(n1C)c(c(o2)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)C)c1cc(c(s1)C)F	


key: InChI
value:
  InChI=1S/C32H24FGeN3O5S3/c1-11-18(28-29(38-5)30-26(42-28)14(33)10-39-30)20-21(36-45-35-20)19(31(11)43-6)24-13(3)23-25(41-24)12(2)22(37(23)4)17-9-16-27(40-17)32-15(34-16)7-8-44-32/h7-10H,34H2,1-6H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)SC)OC)OC)c1cc(c(c(c1)C)F)SC)c1c(cco1)OC)C)OC)c1c(c(c(n1C)c1c(c2c(c(c(s2)c2cc(c(c3c(c(c(c4c3nc(c(n4)c3cc(c(c(c3)C)F)SC)c3cc(c(c(c3)SC)OC)OC)c3c(c(c(n3C)c3c(c4c(c(cs4)C)n3C)OC)SC)C)OC)C)o2)OC)C)n1C)OC)SC)C	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1SC)c1nc2c(c3oc(cc3OC)c3sc4c(c3C)n(c(c4OC)c3n(C)c(c(c3SC)C)c3c(OC)c(C)c(c4c3nc(c3cc(C)c(c(c3)SC)F)c(n4)c3cc(OC)c(c(c3)SC)OC)c3occc3OC)C)c(C)c(c(c2nc1c1cc(C)c(c(c1)SC)F)c1c(C)c(c(n1C)c1n(C)c2c(c1OC)scc2C)SC)OC	


key: InChI
value:
  InChI=1S/C96H96F2N8O12S8/c1-41-31-49(35-58(119-23)66(41)97)68-70(51-33-54(108-14)86(113-19)60(37-51)121-25)99-72-62(88-53(107-13)29-30-117-88)44(4)84(111-17)64(74(72)101-68)77-47(7)94(124-28)83(105(77)11)81-91(116-22)96-79(106(81)12)48(8)92(126-96)57-39-56(110-16)89(118-57)63-45(5)85(112-18)65(78-46(6)93(123-27)82(104(78)10)80-90(115-21)95-76(103(80)9)43(3)40-125-95)75-73(63)100-71(52-34-55(109-15)87(114-20)61(38-52)122-26)69(102-75)50-32-42(2)67(98)59(36-50)120-24/h29-40H,1-28H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)F)C(=O)c1c(scc1C2=O)C)c1cc(c(s1)c1c(c2c(c(c(s2)c2c(cc(c3c4c(c(o3)c3cc(c(s3)c3c(c5c(c(cs5)F)s3)F)SC)C(=O)c3c(C4=O)c(sc3)C)s2)F)F)s1)F)SC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1sc2c(c1F)sc(c2F)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)csc1C)c1cc(c(s1)c1sc2c(c1F)scc2F)SC)c1oc(c2c1C(=O)c1c(C2=O)c(sc1)C)c1scc(c1)F	


key: InChI
value:
  InChI=1S/C52H20F6O6S12/c1-13-26-16(10-67-13)35(59)28-30(37(26)61)39(20-5-15(53)9-69-20)63-41(28)22-7-25(66-4)46(73-22)50-34(58)52-51(76-50)33(57)48(75-52)43-18(54)6-21(71-43)40-31-29(36(60)17-11-68-14(2)27(17)38(31)62)42(64-40)23-8-24(65-3)45(72-23)49-32(56)47-44(74-49)19(55)12-70-47/h5-12H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(c(cn2C)SC)n1C)SC)C)F)c1c(c2c(s1)c(c(o2)c1c(c2c(c3c(cc2n1C)c(cs3)F)SC)SC)C)SC	


key: InChI
value:
  InChI=1S/C39H36F2N6OS7/c1-15-21(28-38(52-10)29-27(46(28)5)20(49-7)13-44(29)3)25-26(43-47(6)42-25)23(24(15)41)37-39(53-11)32-33(55-37)16(2)31(48-32)30-35(50-8)22-19(45(30)4)12-17-18(40)14-54-34(17)36(22)51-9/h12-14H,1-11H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)c(sc2c(c2c1n(C)c(c2C)c1cc(F)cc2c1nn(n2)C)c1sc(c(c1)F)C)c1c(F)cc(c2c1nn(n2)C)c1n(C)c2c(c1C)c(c1sc(c(c1)F)C)c1c(c2c2ccc(s2)SC)c(SC)cs1	


key: InChI
value:
  InChI=1S/C60H46F4N8S10/c1-23-41-46(36-20-30(62)25(3)78-36)57-48(38(73-9)22-77-57)44(34-13-15-39(74-10)80-34)55(41)70(6)54(23)29-19-32(64)43(52-51(29)67-72(8)68-52)60-59(76-12)49-45(35-14-16-40(75-11)81-35)56-42(47(58(49)82-60)37-21-31(63)26(4)79-37)24(2)53(69(56)5)28-17-27(61)18-33-50(28)66-71(7)65-33/h13-22H,1-12H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)OC)SC)OC)c1c(c2c(c3c(cc2n1C)c(c(s3)c1cc(c(c2c1nc(c(n2)SC)OC)c1c(c2c(c3c(cc2n1C)c(cs3)F)SC)SC)OC)F)SC)SC	


key: CAN_SMILES
value:
  COc1nc2c(cc(c(c2nc1SC)c1c(SC)c2c(n1C)cc1c(c2SC)scc1F)OC)c1sc2c(c1F)cc1c(c2SC)c(SC)c(n1C)c1c(OC)ccc2c1nc(SC)c(n2)OC	


key: InChI
value:
  InChI=1S/C48H42F2N6O4S8/c1-55-24-15-19-22(49)18-67-39(19)43(63-9)28(24)41(61-7)37(55)31-27(58-4)17-21(33-35(31)54-48(66-12)46(52-33)60-6)38-32(50)20-16-25-29(44(64-10)40(20)68-38)42(62-8)36(56(25)2)30-26(57-3)14-13-23-34(30)53-47(65-11)45(51-23)59-5/h13-18H,1-12H3


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C38H29F3N4O2S8/c1-44-17-9-14-15(39)12-53-32(14)35(51-7)21(17)34(50-6)27(44)18-10-19-28(45(18)2)37(52-8)36(55-19)22-24(41)33(49-5)23(26-25(22)42-11-20(43-26)48-4)30-31(46-3)38-29(47-30)16(40)13-54-38/h9-13H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)OC)c1c(c2c(c(co2)C)n1C)SC)C)SC)c1c(c2c(s1)c(c(n2C)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(c(o3)c1c(c2c(c(c(c3c(c(c(c4c3nc(c(n4)OC)OC)c3c(c4c(s3)c(c(n4C)c3c(c4c(c5c(c(c4n3C)c3cc(c(SC)n3C)SC)c(co5)C)c3cc(c(s3)C)C)F)SC)F)SC)C)n2C)SC)o1)C)C)c1cc(c(s1)C)C)F)SC)F	


key: CAN_SMILES
value:
  COc1nc2c(nc1OC)c(c1sc3c(c1F)n(c(c3SC)c1c(F)c3c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c3c3cc(c(s3)C)C)occ1C)C)c(c(c2c1c(SC)c2c(n1C)c(c(o2)c1oc2c(c1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)c(F)c(n1C)c1c(SC)c2c(n1C)c(c(s2)c1c(SC)c(C)c(c2c1nc(OC)c(n2)OC)c1c(SC)c2c(n1C)c(co2)C)F)C)C)SC	


key: InChI
value:
  InChI=1S/C108H102F4N12O8S14/c1-39-33-51(143-47(39)9)61-63-67(109)81(121(15)77(63)59(55-41(3)37-129-89(55)61)49-35-53(133-23)107(141-31)117(49)11)85-99(139-29)101-83(123(85)17)69(111)96(146-101)66-74-72(114-104(126-20)106(116-74)128-22)58(45(7)94(66)136-26)80-98(138-28)92-76(120(80)14)46(8)88(132-92)87-43(5)56-60(50-36-54(134-24)108(142-32)118(50)12)78-64(62(90(56)131-87)52-34-40(2)48(10)144-52)68(110)82(122(78)16)86-100(140-30)102-84(124(86)18)70(112)95(145-102)65-73-71(113-103(125-19)105(115-73)127-21)57(44(6)93(65)135-25)79-97(137-27)91-75(119(79)13)42(4)38-130-91/h33-38H,1-32H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(cs3)OC)c2ccc(cc2)C)c1C)C)C	


key: InChI
value:
  InChI=1S/C50H38F3N3O6S3/c1-19-11-13-25(14-12-19)33-30-21(3)42(61-45(30)32(34-29(57-8)18-64-50(33)34)26-15-20(2)36(53)27(51)16-26)40-24(6)43-39(56(40)7)23(5)41(60-43)35-38-37(54-65-55-38)31(22(4)49(35)63-10)46-47(58-9)48-44(62-46)28(52)17-59-48/h11-18H,1-10H3


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C27H15F2NO7SSe/c1-30-18-12(33-2)9-35-25(18)24(34-3)19(30)26-11(28)7-13(38-26)22-17-16(23(37-22)14-5-4-6-39-14)20(31)10-8-36-27(29)15(10)21(17)32/h4-9H,1-3H3


key: SMILES
value:
  c1(cc(c(c2nn(nc12)C)c1c(c2c(c(cn2C)OC)n1C)SC)F)c1c(c2c(o1)c(c(n2C)c1c(c2c(c(c(o2)c2c(c3c(c(c(c4c(cc(c5c4nn(n5)C)c4c(c5c(o4)c(c(n5C)c4c(c5c(c(co5)OC)n4C)OC)F)SC)F)n3C)SC)n2C)OC)OC)n1C)OC)F)SC	


key: CAN_SMILES
value:
  CSc1c(oc2c1n(C)c(c2F)c1n(C)c2c(c1OC)oc(c2OC)c1c(OC)c2c(n1C)c(c(n2C)c1c(F)cc(c2c1nn(n2)C)c1oc2c(c1SC)n(c(c2F)c1n(C)c2c(c1OC)occ2OC)C)SC)c1cc(F)c(c2c1nn(n2)C)c1c(SC)c2c(n1C)c(cn2C)OC	


key: InChI
value:
  InChI=1S/C68H64F4N14O10S4/c1-77-23-29(87-11)39-48(77)65(97-17)41(78(39)2)31-27(69)21-25(35-37(31)75-85(9)73-35)54-68(100-20)53-57(95-54)34(72)44(82(53)6)46-60(91-15)64-51(83(46)7)61(92-16)63(96-64)50-58(89-13)47-49(84(50)8)66(98-18)42(80(47)4)32-28(70)22-26(36-38(32)76-86(10)74-36)55-67(99-19)52-56(94-55)33(71)43(81(52)5)45-59(90-14)62-40(79(45)3)30(88-12)24-93-62/h21-24H,1-20H3


key: InChI
value:
  InChI=1S/C26H7F3O6S2Se/c27-9-4-12(36-24(9)13-5-11-25(37-13)23-20(34-11)10(28)7-32-23)21-17-16(22(35-21)14-2-1-3-38-14)18(30)8-6-33-26(29)15(8)19(17)31/h1-7H


key: InChI
value:
  InChI=1S/C19H15N3O2SSe2/c1-23-12-5-4-9-15(22-19(25-3)18(21-9)24-2)14(12)13-8-11-17(27-13)16-10(20-11)6-7-26-16/h4-8,20H,1-3H3


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)c1c(c(c(n1C)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)c(c(o3)c2c(c(c(c3cc(c(c4c3nsn4)c3c(c(c(n3C)c3oc4c(c(c5c(c4c4cc(c(c(c4)C)C)C)c(co5)OC)c4cc(c(c(c4)F)C)F)c3SC)C)SC)C)o2)F)SC)OC)c2cc(c(c(c2)F)C)F)c1SC)C)SC	


key: CAN_SMILES
value:
  CSc1c(F)c(oc1c1oc2c(c1OC)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)F)C)c(SC)c(o1)c1n(C)c(c(c1C)SC)c1c(C)cc(c2c1nsn2)c1occ(c1F)SC)c1cc(C)c(c2c1nsn2)c1n(C)c(c(c1SC)C)c1oc2c(c1SC)c(c1cc(F)c(c(c1)F)C)c1c(c2c2cc(C)c(c(c2)C)C)c(OC)co1	


key: InChI
value:
  InChI=1S/C94H78F6N6O8S8/c1-35-23-47(24-36(2)41(35)7)61-65-57(107-15)33-109-81(65)63(49-29-53(95)43(9)54(96)30-49)67-83(61)112-86(92(67)118-20)75-45(11)91(117-19)78(105(75)13)60-40(6)28-52(72-74(60)104-122-102-72)80-70(100)94(120-22)89(111-80)88-85(108-16)66-62(48-25-37(3)42(8)38(4)26-48)84-68(64(82(66)114-88)50-31-55(97)44(10)56(98)32-50)93(119-21)87(113-84)76-46(12)90(116-18)77(106(76)14)59-39(5)27-51(71-73(59)103-121-101-71)79-69(99)58(115-17)34-110-79/h23-34H,1-22H3


key: InChI
value:
  InChI=1S/C18H14F2N2O2S5/c1-25-9(26-2)5-8-10(22-18(28-4)17(20)21-8)14-16(27-3)13-15(29-14)12-11(24-13)7(19)6-23-12/h5-6H,1-4H3


key: SMILES
value:
  c1(cc(cc2nn(nc12)C)F)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)cc(s3)c1c(cc(c2c1nn(n2)C)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)ccs3)c1cc(c(o1)F)OC)F)c1cc(c(o1)F)OC	


key: CAN_SMILES
value:
  COc1cc(oc1F)c1c2sc(cc2c(c2c1cc(n2C)c1cc(F)cc2c1nn(n2)C)c1cc(c(n1C)F)SC)c1c(F)cc(c2c1nn(n2)C)c1cc2c(n1C)c(c1c(c2c2oc(c(c2)OC)F)scc1)c1cc(c(n1C)F)SC	


key: InChI
value:
  InChI=1S/C58H42F6N10O4S4/c1-69-32(25-13-23(59)14-31-48(25)66-73(5)65-31)17-28-46(37-22-39(76-8)58(64)78-37)54-29(44(52(28)69)35-20-42(80-10)56(62)72(35)4)18-40(82-54)47-30(60)15-26(49-50(47)68-74(6)67-49)33-16-27-45(36-21-38(75-7)57(63)77-36)53-24(11-12-81-53)43(51(27)70(33)2)34-19-41(79-9)55(61)71(34)3/h11-22H,1-10H3


key: SMILES
value:
  c1(ccc(c2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1cc(c(c(c1)C)OC)OC)c1cc(cn1C)SC)c1c(c(c(n1C)c1c(c2c(c3c(cc2n1C)c(cs3)F)SC)SC)C)C	


key: InChI
value:
  InChI=1S/C50H46F3N5O2S5/c1-23-15-26(18-37(59-7)46(23)60-8)39-40(27-16-32(51)48(62-10)33(52)17-27)54-41-29(35-19-28(61-9)21-56(35)4)13-14-30(42(41)55-39)43-24(2)25(3)44(58(43)6)45-49(63-11)38-36(57(45)5)20-31-34(53)22-65-47(31)50(38)64-12/h13-22H,1-12H3


key: CAN_SMILES
value:
  CSc1cc(n(c1)C)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1c(C)c(c(n1C)c1n(C)c2c(c1SC)c(SC)c1c(c2)c(F)cs1)C	


key: InChI
value:
  InChI=1S/C17H10FN3OSe/c1-8-7-19-15-10(20-8)3-2-9(18)14(15)13-6-12-16(22-13)17-11(21-12)4-5-23-17/h2-7,21H,1H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cn1C)C)OC)C)c1c(c(c(o1)c1ccc(c2cc(c(n2C)c2c(c(c(c3cc(c(c4c3nn(n4)C)c3c(c(c(o3)c3ccc(c4cc(cn4C)OC)n3C)F)C)C)n2C)OC)C)OC)n1C)F)C	


key: CAN_SMILES
value:
  COc1cn(c(c1)c1ccc(n1C)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)c(c(c1OC)C)c1c(OC)cc(n1C)c1ccc(n1C)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)cc(c1OC)C)C	


key: InChI
value:
  InChI=1S/C62H64F2N12O6/c1-29-23-36(54-57(79-17)31(3)27-70(54)8)49-51(67-75(13)65-49)45(29)58-33(5)48(64)62(82-58)41-22-20-39(72(41)10)43-26-44(78-16)56(73(43)11)53-34(6)60(80-18)55(74(53)12)37-24-30(2)46(52-50(37)66-76(14)68-52)59-32(4)47(63)61(81-59)40-21-19-38(71(40)9)42-25-35(77-15)28-69(42)7/h19-28H,1-18H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cs1)F)SC)F)c1c(c(c(o1)c1c(c2c(c3c(cc2n1C)c(c(s3)c1c(c(c(c2cc(c(c3c2nn(n3)C)c2c(c(c(o2)c2c(c3c(c4c(cc3n2C)c(cs4)F)SC)SC)OC)OC)F)s1)SC)F)F)SC)SC)OC)OC	


key: CAN_SMILES
value:
  CSc1c(F)c(sc1c1cc(F)c(c2c1nn(n2)C)c1oc(c(c1OC)OC)c1c(SC)c2c(n1C)cc1c(c2SC)scc1F)c1sc2c(c1F)cc1c(c2SC)c(SC)c(n1C)c1oc(c(c1OC)OC)c1c(F)cc(c2c1nn(n2)C)c1scc(c1SC)F	


key: InChI
value:
  InChI=1S/C62H48F6N8O6S10/c1-73-29-17-21-27(65)19-89-51(21)58(86-12)33(29)56(84-10)41(73)45-49(79-7)48(78-6)44(82-45)32-26(64)16-24(38-40(32)72-76(4)70-38)54-60(88-14)36(68)62(92-54)61-35(67)22-18-30-34(59(87-13)53(22)91-61)57(85-11)42(74(30)2)46-50(80-8)47(77-5)43(81-46)31-25(63)15-23(37-39(31)71-75(3)69-37)52-55(83-9)28(66)20-90-52/h15-20H,1-14H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cs1)F)SC)F)c1c(c(c(o1)c1c(c2c(cc(o2)c2c(c(c(c3cc(c(c4c3nn(n4)C)c3c(c(c(o3)c3c(c4c(cco4)n3C)OC)OC)OC)F)s2)SC)F)n1C)OC)OC)OC	


key: CAN_SMILES
value:
  COc1c(c2oc(c(c2OC)OC)c2c(F)cc(c3c2nn(n3)C)c2scc(c2SC)F)n(c2c1oc(c2)c1sc(c(c1F)SC)c1cc(F)c(c2c1nn(n2)C)c1oc(c(c1OC)OC)c1c(OC)c2c(n1C)cco2)C	


key: InChI
value:
  InChI=1S/C52H42F4N8O10S4/c1-61-24-13-14-71-36(24)40(65-5)34(61)42-46(69-9)44(67-7)39(73-42)28-22(54)16-20(31-33(28)60-64(4)58-31)49-52(76-12)29(56)51(78-49)26-17-25-37(72-26)41(66-6)35(62(25)2)43-47(70-10)45(68-8)38(74-43)27-21(53)15-19(30-32(27)59-63(3)57-30)48-50(75-11)23(55)18-77-48/h13-18H,1-12H3


key: InChI
value:
  InChI=1S/C29H14F2O6S4Se/c1-9-17-20(29(34-2)42-9)22(33)18-19(21(17)32)25(14-4-10(38-3)8-39-14)37-24(18)13-5-11(30)23(36-13)15-6-16-28(40-15)26-27(41-16)12(31)7-35-26/h4-8H,1-3H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)F)C)c1cc(cc(c1)OC)SC)c1c(c(cn1C)OC)SC)SC)SC)c1ccc(o1)c1cc(c(c2c(ccs2)SC)o1)OC	


key: InChI
value:
  InChI=1S/C47H44FN3O5S6/c1-23-16-25(17-24(2)37(23)48)38-39(26-18-27(52-4)20-28(19-26)57-7)49-40-35(30-13-12-29(55-30)31-21-32(53-5)43(56-31)45-34(58-8)14-15-62-45)46(60-10)47(61-11)36(41(40)50-38)42-44(59-9)33(54-6)22-51(42)3/h12-22H,1-11H3


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3oc(c(c3)OC)c3sccc3SC)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)F)C)F)c1cc(c(c(c1)OC)C)OC)c1c(c2c(s1)c(cs2)C)OC)OC)OC)c1cc2c(s1)c(c(n2C)c1oc2c3[se]c(cc3[SiH2]c2c1)c1c(c2c(c(c(c3c(c(c(c4c3nc(c(n4)c3cc(c(c(c3)OC)C)OC)c3cc(c(c(c3)F)C)F)c3cc4c(s3)c(c(n4C)c3oc4c5[se]ccc5[SiH2]c4c3)F)OC)OC)s2)OC)s1)C)F	


key: CAN_SMILES
value:
  COc1cc(cc(c1C)OC)c1nc2c(c3sc4c(c3)n(c(c4F)c3oc4c(c3)[SiH2]c3c4[se]cc3)C)c(OC)c(c(c2nc1c1cc(F)c(c(c1)F)C)c1sc2c(c1OC)sc(c2C)c1[se]c2c(c1)[SiH2]c1c2oc(c1)c1c(F)c2c(n1C)cc(s2)c1c(OC)c(OC)c(c2c1nc(c1cc(OC)c(c(c1)OC)C)c(n2)c1cc(F)c(c(c1)F)C)c1sc2c(c1OC)scc2C)OC	


key: InChI
value:
  InChI=1S/C98H74F6N6O12S6Se2Si2/c1-35-34-123-95-86(119-17)93(126-88(35)95)66-76-74(105-72(43-25-51(111-9)38(4)52(26-43)112-10)70(107-76)41-21-45(99)36(2)46(100)22-41)64(82(115-13)84(66)117-15)57-30-50-92(125-57)69(104)79(110(50)8)56-32-62-81(122-56)98-63(132-62)33-59(130-98)89-40(6)90-96(127-89)87(120-18)94(128-90)67-77-75(106-73(44-27-53(113-11)39(5)54(28-44)114-12)71(108-77)42-23-47(101)37(3)48(102)24-42)65(83(116-14)85(67)118-16)58-29-49-91(124-58)68(103)78(109(49)7)55-31-61-80(121-55)97-60(131-61)19-20-129-97/h19-34H,131-132H2,1-18H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1cc(sc1c1oc(cc1OC)c1oc(c(c1OC)OC)c1c(F)cc(c2c1nn(n2)C)c1scc(c1SC)F)c1sc(c(c1F)SC)c1cc(F)c(c2c1nn(n2)C)c1oc(c(c1OC)OC)c1oc(c(c1)OC)c1sccc1SC	


key: InChI
value:
  InChI=1S/C56H44F4N6O10S8/c1-65-61-36-21(50-52(79-11)25(59)20-82-50)15-23(57)33(38(36)63-65)44-48(71-7)47(70-6)41(76-44)29-18-27(68-4)43(74-29)55-31(78-10)19-32(83-55)53-35(60)56(80-12)51(84-53)22-16-24(58)34(39-37(22)62-66(2)64-39)45-49(72-8)46(69-5)40(75-45)28-17-26(67-3)42(73-28)54-30(77-9)13-14-81-54/h13-20H,1-12H3


key: InChI
value:
  InChI=1S/C32H22N4O2S8/c1-37-17-8-7-16-29(35-45-33-16)26(17)22-13-25(40-4)32(44-22)21-10-9-19(42-21)15-12-18(38-2)27(30-28(15)34-46-36-30)23-14-24(39-3)31(43-23)20-6-5-11-41-20/h5-14H,1-4H3


key: InChI
value:
  InChI=1S/C28H24FN3OS6/c1-13-10-15(26-21(29)19(35-5)12-33-26)22-23(31-39-30-22)20(13)25-27(36-6)14(2)24(32(25)3)17-11-18(34-4)28(38-17)16-8-7-9-37-16/h7-12H,1-6H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)F)C)F)c1cc(c(c(c1)OC)C)OC)c1c(c2c(s1)c(cs2)C)OC)OC)OC)c1cc2c(s1)c(c(n2C)c1ccc(c2cc(cn2C)OC)o1)F	


key: InChI
value:
  InChI=1S/C51H43F3N4O7S3/c1-22-21-66-51-47(64-11)50(68-48(22)51)38-43-42(55-41(26-16-34(60-7)24(3)35(17-26)61-8)40(56-43)25-14-28(52)23(2)29(53)15-25)37(45(62-9)46(38)63-10)36-19-31-49(67-36)39(54)44(58(31)5)33-13-12-32(65-33)30-18-27(59-6)20-57(30)4/h12-21H,1-11H3


key: CAN_SMILES
value:
  COc1cc(n(c1)C)c1ccc(o1)c1n(C)c2c(c1F)sc(c2)c1c(OC)c(OC)c(c2c1nc(c1cc(OC)c(c(c1)OC)C)c(n2)c1cc(F)c(c(c1)F)C)c1sc2c(c1OC)scc2C	


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)F)C)F)c1cc(c(c(c1)OC)C)OC)c1c(c2c(s1)c(cs2)C)OC)OC)OC)c1cc2c(s1)c(c(n2C)c1cc(c(c2c(ccs2)SC)o1)OC)F	


key: CAN_SMILES
value:
  COc1cc(oc1c1sccc1SC)c1c(F)c2c(n1C)cc(s2)c1c(OC)c(OC)c(c2c1nc(c1cc(OC)c(c(c1)OC)C)c(n2)c1cc(F)c(c(c1)F)C)c1sc2c(c1OC)scc2C	


key: InChI
value:
  InChI=1S/C51H42F3N3O7S5/c1-21-20-67-51-46(63-10)50(69-47(21)51)36-41-40(55-39(25-16-29(58-5)23(3)30(17-25)59-6)38(56-41)24-14-26(52)22(2)27(53)15-24)35(44(61-8)45(36)62-9)34-18-28-48(68-34)37(54)42(57(28)4)31-19-32(60-7)43(64-31)49-33(65-11)12-13-66-49/h12-20H,1-11H3


key: InChI
value:
  InChI=1S/C27H12F2O4S4Se/c1-34-15-9-16(37-26(15)13-4-2-6-35-13)25-12(28)8-14(36-25)23-20-19(24(33-23)17-5-3-7-38-17)21(30)11-10-32-27(29)18(11)22(20)31/h2-10H,1H3


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1sc2c(c(c3c(c2c2ccc(s2)F)c(c(s3)c2c(c(c(c3c(c(c(c4c3non4)c3c(cc(o3)c3sc4c(c(c5c(c4c4ccc(s4)F)c(cs5)SC)c4cc(c(s4)OC)C)c3)F)F)SC)s2)OC)F)SC)c2cc(c(s2)OC)C)c1)F	


key: CAN_SMILES
value:
  COc1c(F)c(sc1c1c(SC)c(F)c(c2c1non2)c1oc(cc1F)c1cc2c(s1)c(c1ccc(s1)F)c1c(c2c2cc(c(s2)OC)C)scc1SC)c1sc2c(c1SC)c(c1ccc(s1)F)c1c(c2c2cc(c(s2)OC)C)cc(s1)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F	


key: InChI
value:
  InChI=1S/C74H42F8N4O8S14/c1-23-15-36(105-73(23)89-5)41-25-17-34(103-62(25)43(32-11-13-39(78)101-32)45-38(95-7)22-100-64(41)45)30-19-28(76)59(91-30)48-52(81)67(97-9)50(57-55(48)84-94-86-57)69-61(88-4)53(82)71(108-69)72-70(98-10)46-44(33-12-14-40(79)102-33)63-26(42(65(46)107-72)37-16-24(2)74(90-6)106-37)18-35(104-63)31-20-27(75)58(92-31)47-51(80)66(96-8)49(56-54(47)83-93-85-56)68-60(87-3)29(77)21-99-68/h11-22H,1-10H3


key: InChI
value:
  InChI=1S/C27H22FGeN3O2S4/c1-11-8-13(24-19(28)17(35-4)10-33-24)20-21(31-38-30-20)18(11)23-26(36-5)12(2)22(32(23)3)16-9-15-25(34-16)27-14(29-15)6-7-37-27/h6-10H,29H2,1-5H3


key: InChI
value:
  InChI=1S/C28H14F2O5S3Se/c1-11-8-14(34-23(11)27-15(36-2)5-6-37-27)26-13(29)9-16(38-26)24-20-19(25(35-24)17-4-3-7-39-17)21(31)12-10-33-28(30)18(12)22(20)32/h3-10H,1-2H3


key: SMILES
value:
  c1(c(cc(c2nonc12)c1c(c(cn1C)F)SC)F)c1c(c(c(s1)c1c(cc(c2ccc(s2)c2c(c(c(c3cc(c(c4c3non4)c3c(c(c(s3)c3c(cc(c4cccs4)o3)C)SC)C)F)n2C)SC)F)o1)C)SC)C	


key: CAN_SMILES
value:
  CSc1c(c2cc(F)c(c3c2non3)c2sc(c(c2C)SC)c2oc(cc2C)c2cccs2)n(c(c1F)c1ccc(s1)c1cc(c(o1)c1sc(c(c1SC)C)c1c(F)cc(c2c1non2)c1n(C)cc(c1SC)F)C)C	


key: InChI
value:
  InChI=1S/C54H40F4N6O4S8/c1-21-16-30(32-12-11-15-73-32)65-45(21)53-49(69-7)24(4)48(75-53)36-28(56)19-26(39-41(36)62-68-60-39)43-52(72-10)37(58)44(64(43)6)34-14-13-33(74-34)31-17-22(2)46(66-31)54-50(70-8)23(3)47(76-54)35-27(55)18-25(38-40(35)61-67-59-38)42-51(71-9)29(57)20-63(42)5/h11-20H,1-10H3


key: InChI
value:
  InChI=1S/C28H14FNO4S5/c1-10-7-16(37-9-10)25-18-17(21(31)19-20(22(18)32)28(35-2)39-27(19)29)24(34-25)15-4-3-14(38-15)13-8-12-23(33-13)26-11(30-12)5-6-36-26/h3-9,30H,1-2H3


key: InChI
value:
  InChI=1S/C30H19F2NO3S6/c1-12-9-17(39-11-12)27-20-19(24(34)21-22(25(20)35)30(38-4)42-29(21)32)26(36-27)15-6-5-14(40-15)16-10-18(37-3)28(41-16)23-13(31)7-8-33(23)2/h5-11H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(ccs2)n1C)SC)SC)OC)c1c(c2c(c(c(o2)c2c(c3c(c(c(o3)c3cc4c(c(c(c5c(c(c(c6c5nn(n6)C)c5c(c6c(c(c(o6)c6c(c7c(c(co7)OC)n6C)OC)C)n5C)F)OC)SC)n4C)SC)s3)OC)n2C)OC)C)n1C)F	


key: CAN_SMILES
value:
  COc1c(oc2c1n(C)c(c2OC)c1oc2c(c1C)n(c(c2F)c1c(OC)c(SC)c(c2c1nn(n2)C)c1c(SC)c2c(n1C)ccs2)C)c1sc2c(c1)n(c(c2SC)c1c(SC)c(OC)c(c2c1nn(n2)C)c1c(F)c2c(n1C)c(c(o2)c1c(OC)c2c(n1C)c(co2)OC)C)C	


key: InChI
value:
  InChI=1S/C68H64F2N12O10S6/c1-25-41-56(90-51(25)48-59(87-15)61-43(79(48)7)29(83-11)24-89-61)35(69)45(77(41)5)32-38-40(74-82(10)72-38)34(66(94-18)55(32)85-13)47-68(96-20)64-28(76(47)4)23-30(98-64)53-58(86-14)50-62(92-53)60(88-16)49(80(50)8)52-26(2)42-57(91-52)36(70)44(78(42)6)31-37-39(73-81(9)71-37)33(65(93-17)54(31)84-12)46-67(95-19)63-27(75(46)3)21-22-97-63/h21-24H,1-20H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(cs2)F)C)F)C)c1c(c2c(cc(s2)c2oc3c4sc(cc4[nH]c3c2)c2c(c3c(c(c(c4c(c(c(c5c4nsn5)c4c(c5c(cc(s5)c5oc6c7sccc7[nH]c6c5)n4C)OC)C)F)o3)C)s2)F)n1C)OC	


key: CAN_SMILES
value:
  COc1c2sc(cc2n(c1c1c(C)c(F)c(c2c1nsn2)c1oc2c(c1C)scc2F)C)c1oc2c(c1)[nH]c1c2sc(c1)c1sc2c(c1F)oc(c2C)c1c(F)c(C)c(c2c1nsn2)c1n(C)c2c(c1OC)sc(c2)c1cc2c(o1)c1c([nH]2)ccs1	


key: InChI
value:
  InChI=1S/C60H34F4N8O6S8/c1-17-33(40-42(69-85-67-40)35(37(17)62)46-19(3)54-48(77-46)21(61)16-80-54)44-53(74-8)59-27(72(44)6)15-31(82-59)29-12-24-50(76-29)57-25(66-24)13-32(83-57)60-39(64)51-55(84-60)20(4)47(78-51)36-38(63)18(2)34(41-43(36)70-86-68-41)45-52(73-7)58-26(71(45)5)14-30(81-58)28-11-23-49(75-28)56-22(65-23)9-10-79-56/h9-16,65-66H,1-8H3


key: InChI
value:
  InChI=1S/C30H20FNO3S6/c1-13-9-20(38-12-13)28-22-21(25(33)23-24(26(22)34)30(37-4)41-29(23)31)27(35-28)19-8-7-18(40-19)17-6-5-16(39-17)15-10-14(36-3)11-32(15)2/h5-12H,1-4H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(cc1)F)F)c1ccccc1)SC)C)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(c(s3)c1c(c(c(c2c1nc(c(n2)c1ccccc1)c1cc(c(cc1)F)F)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC)C)SC)SC)c1cc(c(c(c1)F)SC)OC)OC	


key: CAN_SMILES
value:
  CSc1c(c2sc3c(c2SC)c(c2ccc(c(c2)C)C)c2c(c3c3cc(F)c(c(c3)OC)SC)c(OC)c(n2C)c2c(C)c(SC)cc3c2nc(c2ccccc2)c(n3)c2ccc(c(c2)F)F)c2nc(c3ccc(c(c3)F)F)c(nc2c(c1C)c1n(C)c2c(c1OC)c(c1cc(F)c(c(c1)OC)SC)c1c(c2c2ccc(c(c2)C)C)c(SC)cs1)c1ccccc1	


key: InChI
value:
  InChI=1S/C102H82F6N6O4S8/c1-47-29-31-55(37-49(47)3)74-78-71(120-14)46-125-99(78)76(59-41-65(107)97(122-16)68(43-59)115-9)79-90(74)113(7)93(94(79)117-11)73-52(6)96(121-15)82(89-88(73)111-84(54-27-23-20-24-28-54)86(112-89)58-34-36-62(104)64(106)40-58)102-101(124-18)81-75(56-32-30-48(2)50(4)38-56)91-80(77(100(81)126-102)60-42-66(108)98(123-17)69(44-60)116-10)95(118-12)92(114(91)8)72-51(5)70(119-13)45-67-87(72)110-83(53-25-21-19-22-26-53)85(109-67)57-33-35-61(103)63(105)39-57/h19-46H,1-18H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)OC)SC)OC)c1[se]c2c3[se]c(cc3[nH]c2c1)c1cc(c(c2c1nc(c(n2)SC)OC)c1[se]c2c3[se]ccc3[nH]c2c1)OC	


key: CAN_SMILES
value:
  COc1cc(c2cc3c([se]2)c2c([nH]3)cc([se]2)c2c(OC)ccc3c2nc(SC)c(n3)OC)c2c(c1c1cc3c([se]1)c1c([nH]3)cc[se]1)nc(c(n2)OC)SC	


key: InChI
value:
  InChI=1S/C38H28N6O4S2Se4/c1-45-21-8-7-16-29(43-37(49-5)35(41-16)47-3)26(21)24-14-20-34(54-24)33-18(40-20)12-23(52-33)15-11-22(46-2)27(30-28(15)42-36(48-4)38(44-30)50-6)25-13-19-32(53-25)31-17(39-19)9-10-51-31/h7-14,39-40H,1-6H3


key: InChI
value:
  InChI=1S/C37H38FN7O2S4/c1-17-24(30-36(49-10)31-29(44(30)6)23(48-9)16-42(31)4)27-28(40-45(7)39-27)25(26(17)38)35-37(50-11)33-34(51-35)18(2)32(47-33)21-13-12-20(43(21)5)22-14-19(46-8)15-41(22)3/h12-16H,1-11H3


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1cc2c(c3c(c(c(o3)c3ccc(c4c5c(c(o4)c4cc(c(s4)c4cc6c(c7c(c(co7)F)o6)s4)F)C(=O)c4c(C5=O)coc4F)[se]3)F)o2)s1)F	


key: CAN_SMILES
value:
  O=C1c2c(oc(c2C(=O)c2c1coc2F)c1sc(c(c1)F)c1cc2c(s1)c1c(o2)c(co1)F)c1ccc([se]1)c1oc2c(c1F)oc1c2sc(c1)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1	


key: InChI
value:
  InChI=1S/C52H12F6O12S4Se2/c53-15-7-21(72-47(15)22-8-18-49(73-22)45-38(66-18)17(55)12-63-45)40-32-30(35(60)14-11-65-52(58)28(14)37(32)62)42(69-40)25-3-4-26(76-25)43-33(56)44-46(70-43)50-19(67-44)9-23(74-50)48-16(54)6-20(71-48)39-31-29(41(68-39)24-2-1-5-75-24)34(59)13-10-64-51(57)27(13)36(31)61/h1-12H


key: SMILES
value:
  c1(ccc(c2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1cc(c(c(c1)C)OC)OC)c1cc(cn1C)SC)c1c(c(c(n1C)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)c(c(o3)c2c(cc(c3ccc(c4c3nc(c(n4)c3cc(c(c(c3)C)OC)OC)[C]3C=C([C](C(=C3)F)SC)F)c3c(c(c(n3C)C3=C([C]4C(=C5[C](C(=C4O3)[C]3C=C([C](C(=C3)C)C)C)C(=CO5)OC)[C]3C=C([C](C(=C3)F)C)F)SC)C)C)n2C)SC)OC)c2cc(c(c(c2)F)C)F)c1SC)C)C	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C130H114F8N8O10S6/c1-55-35-69(36-56(2)61(55)7)96-100-94(149-21)54-153-119(100)98(71-41-82(131)67(13)83(132)42-71)102-121(96)155-125(129(102)161-29)114-65(11)64(10)113(146(114)18)81-34-32-79(109-111(81)142-105(74-40-60(6)118(151-23)93(50-74)148-20)107(140-109)76-47-88(137)128(160-28)89(138)48-76)91-52-95(158-26)116(144(91)16)124-123(152-24)101-97(70-37-57(3)62(8)58(4)38-70)122-103(99(120(101)154-124)72-43-84(133)68(14)85(134)44-72)130(162-30)126(156-122)115-66(12)63(9)112(145(115)17)80-33-31-78(90-51-77(157-25)53-143(90)15)108-110(80)141-104(73-39-59(5)117(150-22)92(49-73)147-19)106(139-108)75-45-86(135)127(159-27)87(136)46-75/h31-54H,1-30H3


key: InChI
value:
  InChI=1S/C33H28FN3O3S5/c1-15-11-21(19-9-8-10-38-19)44-30(15)32-31(43-7)29-22(45-32)12-20(39-29)25-24(36-33(34)17(3)35-25)18(14-41-5)27-16(2)26-28(40-27)23(42-6)13-37(26)4/h8-14H,1-7H3/b18-14+


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C56H26F2N2O8S10/c1-17-11-29(72-16-17)48-34-32(40(61)36-38(42(34)63)55(69-3)77-53(36)57)46(67-48)27-7-6-26(74-27)24-14-21-45(66-24)52-22(60-21)15-31(76-52)50-18(2)12-30(75-50)49-35-33(41(62)37-39(43(35)64)56(70-4)78-54(37)58)47(68-49)28-8-5-25(73-28)23-13-20-44(65-23)51-19(59-20)9-10-71-51/h5-16,59-60H,1-4H3


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C41H35F3N4O6S4/c1-14-12-52-30-17(14)31(49-6)32-19(21(30)42)22(43)33(54-32)29-38(57-11)39-28(48(29)5)23(44)36(58-39)20-25-24(45-40(50-7)41(46-25)51-8)18(16(3)35(20)55-9)27-37(56-10)34-26(47(27)4)15(2)13-53-34/h12-13H,1-11H3


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C30H19FO4S6/c1-12-9-17(38-11-12)26-20-19(23(32)21-22(24(20)33)30(36-4)41-29(21)31)25(35-26)15-5-6-16(39-15)28-14(34-3)10-18(40-28)27-13(2)7-8-37-27/h5-11H,1-4H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: InChI
value:
  InChI=1S/C28H12F2O4S6/c1-9-5-14(36-8-9)23-17-16(20(31)18-19(21(17)32)28(35-2)40-27(18)30)22(34-23)12-4-3-11(37-12)13-6-15-26(38-13)24-25(39-15)10(29)7-33-24/h3-8H,1-2H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)F)c1c(c(cs1)F)OC)SC)SC)c1c(c(c(n1C)c1[se]c2c3sc(cc3[SiH2]c2c1)c1c(c(c(c2c(c(c(c3c2nc(c(n3)F)C)c2c(c(c(n2C)c2[se]c3c4sccc4[SiH2]c3c2)F)F)SC)SC)s1)OC)F)F)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C58H40F8N6O2S8Se2Si2/c1-17-57(65)69-36-27(51(75-7)53(77-9)29(38(36)67-17)49-44(73-5)19(59)16-80-49)42-34(63)32(61)41(72(42)4)22-15-26-56(84-22)48-24(86-26)13-20(81-48)46-35(64)45(74-6)50(82-46)30-39-37(70-58(66)18(2)68-39)28(52(76-8)54(30)78-10)43-33(62)31(60)40(71(43)3)21-14-25-55(83-21)47-23(85-25)11-12-79-47/h11-16H,85-86H2,1-10H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)C)C(=O)c1c(sc(c1C2=O)F)SC)c1ccc(s1)c1c(cc(c2c(cc(s2)c2c(cc(c3c4c(c(o3)c3ccc(s3)c3c(cc(c5c(ccs5)C)s3)OC)C(=O)c3c(C4=O)c(sc3F)SC)s2)C)C)s1)OC	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C60H36F2O8S12/c1-21-15-31(74-20-21)50-38-36(44(63)40-42(46(38)65)59(71-7)81-57(40)61)48(69-50)27-9-12-30(75-27)56-26(68-6)19-35(80-56)54-24(4)17-33(78-54)53-23(3)16-32(77-53)51-39-37(45(64)41-43(47(39)66)60(72-8)82-58(41)62)49(70-51)28-10-11-29(76-28)55-25(67-5)18-34(79-55)52-22(2)13-14-73-52/h9-20H,1-8H3


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C47H38F3N3O3S5/c1-21-12-24(15-27(13-21)54-5)33-29-18-30(61-45(29)34(32-22(2)20-60-47(32)33)25-14-26(48)17-28(16-25)57-7)42-43(55-6)23(3)41(53(42)4)35-37(49)38(50)36(40-39(35)51-10-11-52-40)44-46(59-9)31(58-8)19-56-44/h10-20H,1-9H3


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C29H22F3N5O2S2/c1-35-18(15-8-13(30)9-17-25(15)34-37(3)33-17)10-16-24(20-12-21(38-4)29(32)39-20)27-14(6-7-41-27)23(26(16)35)19-11-22(40-5)28(31)36(19)2/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C30H19FO6S3Se/c1-12-8-16(18-6-5-7-39-18)35-26(12)27-15(31)10-17(36-27)28-21-22(29(37-28)19-9-14(38-4)11-40-19)24(32)20-13(2)41-30(34-3)23(20)25(21)33/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C19H13FN2O4S2/c1-23-10-5-4-9-14(22-19(27-3)18(21-9)24-2)13(10)12-6-11-17(28-12)16-15(26-11)8(20)7-25-16/h4-7H,1-3H3


key: InChI
value:
  InChI=1S/C32H23NO6S3Se/c1-12-7-18(39-27(12)16-9-17-24(33(16)4)29-28(38-17)13(2)10-36-29)30-21-22(31(42-30)19-8-15(40-5)11-43-19)26(35)23-20(25(21)34)14(3)37-32(23)41-6/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H21FN4O2S4/c1-11-8-13(24-19(28)17(35-4)10-33-24)20-21(31-38-30-20)18(11)23-26(36-5)12(2)22(32(23)3)16-9-15-25(34-16)27-14(29-15)6-7-37-27/h6-10,29H,1-5H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C68H58F4N12O6S6/c1-27-22-33(36-18-17-21-95-36)87-58(27)51-41(71)62-56(81(51)7)67(93-15)61(89-62)30-25-32(70)40(46-44(30)74-84(10)76-46)50-66(92-14)55-53(80(50)6)64(86-12)48(79(55)5)38-20-19-37(96-38)34-23-28(2)59(88-34)52-42(72)63-57(82(52)8)68(94-16)60(90-63)29-24-31(69)39(45-43(29)73-83(9)75-45)49-65(91-13)54-47(78(49)4)35(85-11)26-77(54)3/h17-26H,1-16H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C66H58F2N6O12S2/c1-23-21-80-61-47-35(81-49(23)61)19-33(73(47)11)57-41(67)27(5)53(83-57)38-26(4)51(76-14)40(46-44(38)72-66(78-16)32(10)70-46)60-64(88-18)30(8)56(85-60)54-29(7)55-62(86-54)48-36(82-55)20-34(74(48)12)58-42(68)28(6)52(84-58)37-25(3)50(75-13)39(59-63(87-17)24(2)22-79-59)45-43(37)71-65(77-15)31(9)69-45/h19-22H,1-18H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C68H50F8N4O10S6/c1-19-17-85-47-23(5)30-36(70)57(88-49(30)20(2)28(19)47)63-41(75)66(94-16)61(96-63)35-46-44(80-68(84-12)26(8)78-46)33(39(73)53(35)82-10)55-62(92-14)40(74)56(90-55)51-22(4)29-21(3)50-31(24(6)48(29)87-51)37(71)58(89-50)64-42(76)65(93-15)60(95-64)34-45-43(79-67(83-11)25(7)77-45)32(38(72)52(34)81-9)54-59(91-13)27(69)18-86-54/h17-18H,1-16H3


key: InChI
value:
  InChI=1S/C16H11N3OS2Se2/c1-21-10-5-8-13(19-20-18-8)12(14(10)22-2)11-6-9-16(24-11)15-7(17-9)3-4-23-15/h3-6,17H,1-2H3


key: InChI
value:
  InChI=1S/C28H18FNO5S4/c1-11-9-15(37-10-11)25-17-16(21(31)18-19(22(17)32)28(36-4)39-27(18)29)24(35-25)14-6-5-13(38-14)20-26(33-3)23-12(30(20)2)7-8-34-23/h5-10H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)F)C)c1cc(cc(c1)OC)SC)c1c(c(cn1C)OC)SC)SC)SC)c1ccc(o1)c1c(cc(c2ccc(n2C)c2c(c(c(c3c(c(c(c4c3nc(c(n4)c3cc(cc(c3)OC)SC)c3cc(c(c(c3)C)F)C)c3ccc(o3)c3c(cc(c4cccn4C)o3)C)SC)SC)n2C)SC)OC)o1)C	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C94H88F2N8O8S8/c1-45-32-51(33-46(2)73(45)95)75-77(53-38-55(105-11)42-57(40-53)113-15)97-79-69(90(116-18)92(118-20)71(81(79)99-75)84-89(115-17)68(107-13)44-102(84)8)62-28-30-65(110-62)87-50(6)37-67(112-87)60-25-26-61(103(60)9)83-88(108-14)94(120-22)85(104(83)10)72-82-80(98-78(54-39-56(106-12)43-58(41-54)114-16)76(100-82)52-34-47(3)74(96)48(4)35-52)70(91(117-19)93(72)119-21)63-27-29-64(109-63)86-49(5)36-66(111-86)59-24-23-31-101(59)7/h23-44H,1-22H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cccc(c1)OC)c1cc(c(c(c1)OC)F)SC)SC)F)c1oc2c3sc(cc3[nH]c2c1)c1c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cccc(c1)OC)c1oc2c3sccc3[nH]c2c1)F)SC	


key: CAN_SMILES
value:
  COc1cccc(c1)c1nc2c(c3cc4c(s3)c3c([nH]4)cc(o3)c3c(F)c(SC)cc4c3nc(c3cc(OC)c(c(c3)SC)F)c(n4)c3cccc(c3)OC)c(SC)c(c(c2nc1c1cc(OC)c(c(c1)SC)F)c1oc2c(c1)[nH]c1c2scc1)F	


key: InChI
value:
  InChI=1S/C64H44F4N6O6S6/c1-75-31-13-9-11-27(17-31)53-55(29-19-40(77-3)49(65)43(21-29)81-5)72-57-34(71-53)25-45(83-7)51(67)46(57)38-24-36-61(80-38)63-37(70-36)26-42(86-63)48-59-58(47(52(68)64(48)84-8)39-23-35-60(79-39)62-33(69-35)15-16-85-62)74-56(30-20-41(78-4)50(66)44(22-30)82-6)54(73-59)28-12-10-14-32(18-28)76-2/h9-26,69-70H,1-8H3


key: InChI
value:
  InChI=1S/C16H13N3SSeSi/c1-8-3-4-9-14(18-19(2)17-9)13(8)10-7-12-16(21-10)15-11(22-12)5-6-20-15/h3-7H,22H2,1-2H3


key: InChI
value:
  InChI=1S/C30H19NO5S3Se2/c1-11-7-17(36-25(11)16-9-15-26(35-16)29-14(31-15)5-6-40-29)27-20-21(28(39-27)18-8-13(37-3)10-41-18)24(33)22-19(23(20)32)12(2)34-30(22)38-4/h5-10,31H,1-4H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cccc(c1)OC)c1cc(c(c(c1)OC)F)SC)SC)F)c1c(c2c(cc(o2)c2c(c(c(c3c2nc(c(n3)c2cc(c(c(c2)OC)F)SC)c2cccc(c2)OC)c2c(c3c(cco3)n2C)OC)F)SC)n1C)OC	


key: CAN_SMILES
value:
  COc1cccc(c1)c1nc2c(c3oc4c(c3)n(c(c4OC)c3c(F)c(SC)cc4c3nc(c3cc(OC)c(c(c3)SC)F)c(n4)c3cccc(c3)OC)C)c(SC)c(c(c2nc1c1cc(OC)c(c(c1)SC)F)c1c(OC)c2c(n1C)cco2)F	


key: InChI
value:
  InChI=1S/C64H52F4N6O8S4/c1-73-36-19-20-81-60(36)62(79-7)59(73)46-50(68)64(86-12)44(56-57(46)72-54(32-24-40(78-6)48(66)42(26-32)84-10)52(71-56)30-16-14-18-34(22-30)76-4)38-28-37-61(82-38)63(80-8)58(74(37)2)45-49(67)43(85-11)27-35-55(45)70-53(31-23-39(77-5)47(65)41(25-31)83-9)51(69-35)29-15-13-17-33(21-29)75-3/h13-28H,1-12H3


key: InChI
value:
  InChI=1S/C16H16N4O2/c1-9-5-6-10-13(18-20(3)17-10)12(9)14-16(21-4)15-11(19(14)2)7-8-22-15/h5-8H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)cc(s3)c2c(c(c(c3c(c(c(c4c3nc(c(n4)c3ccc(c(c3)SC)F)c3ccc(cc3)SC)c3c(c(c(n3C)c3oc4c(c(c5c(c4c4cc(c(o4)C)SC)ccs5)c4cc(c(F)n4C)OC)c3OC)OC)F)F)SC)o2)F)SC)c2cc(c(F)n2C)OC)c1OC)OC)F	


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3oc(c(c3F)SC)c3cc4c(s3)c(c3cc(c(n3C)F)OC)c3c(c4c4cc(c(o4)C)SC)oc(c3OC)c3c(OC)c(c(n3C)c3c(F)c(SC)c(c4c3nc(c3ccc(c(c3)SC)F)c(n4)c3ccc(cc3)SC)c3occ(c3F)SC)F)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)c1oc2c(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)ccs1)OC)F	


key: InChI
value:
  InChI=1S/C114H88F10N8O12S12/c1-45-63(147-15)42-59(140-45)69-53-35-36-155-108(53)71(57-40-61(133-7)113(123)129(57)3)73-98(69)143-106(102(73)135-9)95-104(137-11)83(121)94(132(95)6)76-81(119)111(153-21)78(92-90(76)128-88(50-28-34-56(116)66(38-50)150-18)86(126-92)48-25-31-52(146-14)32-26-48)101-84(122)112(154-22)97(142-101)67-39-54-70(60-43-64(148-16)46(2)141-60)99-74(72(109(54)156-67)58-41-62(134-8)114(124)130(58)4)103(136-10)107(144-99)96-105(138-12)82(120)93(131(96)5)75-80(118)110(152-20)77(100-79(117)68(151-19)44-139-100)91-89(75)127-87(49-27-33-55(115)65(37-49)149-17)85(125-91)47-23-29-51(145-13)30-24-47/h23-44H,1-22H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(c(cn2C)SC)n1C)SC)C)F)c1c(c2c(s1)c(c(o2)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(c(s3)c1c(c2c(c(c(c3c(c(c(c4c3nn(n4)C)c3c(c4c(s3)c(c(o4)c3c(c4c(c5c(c(c4n3C)c3cc(c(cc3)C)C)c(cs5)SC)c3cc(c(c(c3)F)SC)OC)OC)C)SC)F)C)n2C)SC)n1C)SC)SC)c1cc(c(c(c1)F)SC)OC)OC)C)SC	


key: CAN_SMILES
value:
  COc1cc(cc(c1SC)F)c1c2sc(c(c2c(c2c1c(OC)c(n2C)c1oc2c(c1C)sc(c2SC)c1c(F)c(C)c(c2c1nn(n2)C)c1n(C)c2c(c1SC)n(cc2SC)C)c1ccc(c(c1)C)C)SC)c1n(C)c2c(c1SC)n(c(c2SC)c1c(C)c(F)c(c2c1nn(n2)C)c1sc2c(c1SC)oc(c2C)c1c(OC)c2c(n1C)c(c1ccc(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)OC)SC)scc1SC)C	


key: InChI
value:
  InChI=1S/C110H102F4N12O6S14/c1-43-31-33-51(35-45(43)3)63-67-60(134-22)42-143-100(67)65(53-37-55(111)98(135-23)57(39-53)127-17)68-80(63)121(11)87(92(68)129-19)90-49(7)96-94(131-90)109(141-29)104(144-96)72-74(114)48(6)62(76-78(72)118-126(16)116-76)83-106(139-27)85-86(123(83)13)107(140-28)89(124(85)14)108-102(137-25)70-64(52-34-32-44(2)46(4)36-52)81-69(66(101(70)146-108)54-38-56(112)99(136-24)58(40-54)128-18)93(130-20)88(122(81)12)91-50(8)97-95(132-91)110(142-30)103(145-97)71-73(113)47(5)61(75-77(71)117-125(15)115-75)82-105(138-26)84-79(120(82)10)59(133-21)41-119(84)9/h31-42H,1-30H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)F)C)c1c(c2c(o1)c(cn2C)SC)C)SC)c1cc2c(o1)c(c(s2)c1oc2c3sc(cc3[nH]c2c1)c1c(c2c(c(c(c3cc(c(c4c3nc(c(n4)C)F)c3cc4c(o3)c(c(s4)c3oc4c5sccc5[nH]c4c3)SC)SC)o2)C)n1C)SC)SC	


key: CAN_SMILES
value:
  CSc1cc(c2c(c1c1cc3c(o1)c(c(s3)c1cc3c(o1)c1c([nH]3)ccs1)SC)nc(c(n2)F)C)c1oc2c(c1C)n(c(c2SC)c1cc2c(s1)c1c([nH]2)cc(o1)c1sc2c(c1SC)oc(c2)c1c(SC)cc(c2c1nc(C)c(n2)F)c1oc2c(c1C)n(cc2SC)C)C	


key: InChI
value:
  InChI=1S/C68H48F2N8O6S10/c1-23-49-56(42(87-9)22-77(49)5)83-52(23)27-15-37(85-7)43(47-45(27)75-67(69)25(3)71-47)33-21-41-58(80-33)66(90-12)63(94-41)36-18-31-55(82-36)61-32(74-31)19-39(92-61)51-64(88-10)59-50(78(51)6)24(2)53(84-59)28-16-38(86-8)44(48-46(28)76-68(70)26(4)72-48)34-20-40-57(79-34)65(89-11)62(93-40)35-17-30-54(81-35)60-29(73-30)13-14-91-60/h13-22,73-74H,1-12H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)SC)OC)OC)c1cc(c(c(c1)C)F)SC)c1c(cco1)OC)C)OC)c1c(c(c(n1C)c1c(cc(c2c(cc(n2C)c2cc(c(c3c(c(c(c4c3nc(c(n4)c3cc(c(c(c3)C)F)SC)c3cc(c(c(c3)SC)OC)OC)c3c(c(c(n3C)c3c(cc(c4c(ccn4C)SC)s3)C)SC)C)OC)C)o2)OC)SC)s1)C)SC)C	


key: CAN_SMILES
value:
  COc1cc(oc1c1c(C)c(OC)c(c2c1nc(c1cc(OC)c(c(c1)SC)OC)c(n2)c1cc(C)c(c(c1)SC)F)c1c(C)c(c(n1C)c1sc(cc1C)c1c(SC)ccn1C)SC)c1cc(c(n1C)c1sc(c(c1)C)c1c(SC)c(c(n1C)c1c(OC)c(C)c(c2c1nc(c1cc(C)c(c(c1)SC)F)c(n2)c1cc(OC)c(c(c1)SC)OC)c1occc1OC)C)SC	


key: InChI
value:
  InChI=1S/C100H100F2N8O10S10/c1-45-33-53(39-64(122-22)75(45)101)77-79(55-37-60(112-14)93(117-19)69(41-55)125-25)103-81-71(95-58(111-13)30-32-119-95)49(5)91(115-17)73(83(81)105-77)85-51(7)100(128-28)90(110(85)12)98-48(4)36-68(130-98)88-66(124-24)43-57(108(88)10)59-44-62(114-16)96(120-59)72-50(6)92(116-18)74(86-52(8)99(127-27)89(109(86)11)97-47(3)35-67(129-97)87-63(121-21)29-31-107(87)9)84-82(72)104-80(56-38-61(113-15)94(118-20)70(42-56)126-26)78(106-84)54-34-46(2)76(102)65(40-54)123-23/h29-44H,1-28H3


key: InChI
value:
  InChI=1S/C17H14N2O3S3/c1-20-10-7-9-15(19-22-18-9)14(16(10)21-2)12-8-13(23-3)17(25-12)11-5-4-6-24-11/h4-8H,1-3H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)OC)SC)c1cc(c(c(c1)F)OC)F)c1c(c2c(c(cs2)F)n1C)OC)SC)OC)c1c(c2c(s1)c(c(n2C)c1oc2c3sc(cc3[nH]c2c1)c1c(c2c(c(c(c3c(c(c(c4c3nc(c(n4)c3cc(c(c(c3)F)OC)F)c3cc(c(c(c3)C)OC)SC)c3c(c4c(s3)c(c(n4C)c3oc4c5sccc5[nH]c4c3)SC)OC)OC)SC)n2C)OC)s1)F)SC)OC	


key: CAN_SMILES
value:
  CSc1cc(cc(c1OC)C)c1nc2c(nc1c1cc(F)c(c(c1)F)OC)c(c1sc3c(c1OC)n(c(c3SC)c1oc3c(c1)[nH]c1c3scc1)C)c(c(c2c1c(OC)c2c(n1C)c(c(s2)c1sc2c(c1)[nH]c1c2oc(c1)c1c(SC)c2c(n1C)c(c(s2)c1c(OC)c(SC)c(c2c1nc(c1cc(F)c(c(c1)F)OC)c(n2)c1cc(C)c(c(c1)SC)OC)c1c(OC)c2c(n1C)c(cs2)F)OC)F)SC)OC	


key: InChI
value:
  InChI=1S/C102H82F6N10O12S12/c1-37-25-39(31-54(131-17)78(37)119-7)62-64(41-27-43(103)80(121-9)44(104)28-41)113-68-59(84(123-11)93(133-19)57(66(68)111-62)73-86(125-13)97-70(115(73)3)47(107)36-138-97)95-89(128-16)77-102(142-95)100(136-22)72(117(77)5)53-34-50-83(130-53)91-51(110-50)35-56(139-91)92-61(108)75-98(140-92)87(126-14)74(118(75)6)58-67-69(114-65(42-29-45(105)81(122-10)46(106)30-42)63(112-67)40-26-38(2)79(120-8)55(32-40)132-18)60(85(124-12)94(58)134-20)96-88(127-15)76-101(141-96)99(135-21)71(116(76)4)52-33-49-82(129-52)90-48(109-49)23-24-137-90/h23-36,109-110H,1-22H3


key: SMILES
value:
  c1(c(c(c(c2c1ncc(n2)SC)c1c(c2c(o1)c(cs2)F)OC)SC)F)c1c(c2c(s1)cc(n2C)c1oc2c(c(c3c(c2OC)c(co3)C)F)c1F)SC	


key: InChI
value:
  InChI=1S/C37H25F4N3O5S5/c1-12-10-47-29-17(12)30(45-3)31-18(22(29)40)21(39)28(49-31)14-8-15-26(44(14)2)36(52-7)35(54-15)19-23(41)34(51-6)20(25-24(19)42-9-16(43-25)50-5)32-33(46-4)37-27(48-32)13(38)11-53-37/h8-11H,1-7H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)C)C(=O)c1c(sc(c1C2=O)F)SC)c1ccc(s1)c1c(c2c(cc(o2)c2c(cc(c3c4c(c(o3)c3ccc(s3)c3c(c5c(cco5)n3C)OC)C(=O)c3c(C4=O)c(sc3F)SC)s2)C)n1C)OC	


key: CAN_SMILES
value:
  COc1c(c2ccc(s2)c2oc(c3c2C(=O)c2c(C3=O)c(sc2F)SC)c2scc(c2)C)n(c2c1oc(c2)c1sc(cc1C)c1oc(c2c1C(=O)c1c(C2=O)c(sc1SC)F)c1ccc(s1)c1c(OC)c2c(n1C)cco2)C	


key: InChI
value:
  InChI=1S/C56H34F2N2O10S8/c1-19-15-28(73-18-19)48-32-30(40(61)34-36(42(32)63)55(71-7)77-53(34)57)46(69-48)26-12-10-25(75-26)39-51(66-6)45-22(60(39)4)17-23(68-45)52-20(2)16-29(76-52)49-33-31(41(62)35-37(43(33)64)56(72-8)78-54(35)58)47(70-49)27-11-9-24(74-27)38-50(65-5)44-21(59(38)3)13-14-67-44/h9-18H,1-8H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1oc2c(c(c3c(c2OC)c(co3)C)F)c1F)SC)C	


key: InChI
value:
  InChI=1S/C52H39F3N2O6S6/c1-20-13-24(15-27(53)42(20)59-6)38-39(25-14-21(2)49(65-9)32(16-25)64-8)56-40-26(30-18-31-29(68-30)11-12-67-31)17-28(58-5)34(41(40)57-38)50-23(4)43-52(69-50)51(66-10)48(62-43)47-37(55)35-36(54)44-33(22(3)19-61-44)45(60-7)46(35)63-47/h11-19H,1-10H3


key: CAN_SMILES
value:
  COc1c(C)cc(cc1F)c1nc2c(c(OC)cc(c2nc1c1cc(C)c(c(c1)SC)SC)c1sc2c(c1)scc2)c1sc2c(c1C)oc(c2SC)c1oc2c(c1F)c(F)c1c(c2OC)c(C)co1	


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1oc2c(c(c3c(c2C)c(c(o3)c2c(c(c(c3c(c(c(c4c3nc(c(n4)c3ccc(c(c3)SC)F)[C]3C=C[C](C=C3)SC)c3c(c(c(n3C)C3=C([C]4C(=C5[C](C(=C4O3)C)C(=CO5)C)C)F)OC)F)F)SC)o2)F)SC)C)C)c1F)OC)F	


key: CAN_SMILES
value:
  CS[C]1C=C[C](C=C1)c1nc2c(c3oc(c(c3F)SC)c3oc4c(c3C)c(C)c3c(c4C)c(F)c(o3)c3c(OC)c(c(n3C)c3c(F)c(SC)c(c4c3nc(c3ccc(c(c3)SC)F)c(n4)c3ccc(cc3)SC)c3occ(c3F)SC)F)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)C1=C(F)[C]2C(=C(C)[C]3C(=C2C)OC=C3C)O1)OC)F	


key: InChI
value:
  InChI=1S/C94H70F10N6O8S8/c1-35-33-113-80-39(5)54-61(98)89(116-82(54)36(2)52(35)80)78-87(111-9)66(103)77(110(78)8)57-64(101)93(125-17)59(75-73(57)108-71(44-24-30-48(96)50(32-44)122-14)69(106-75)42-21-27-46(120-12)28-22-42)86-67(104)94(126-18)91(118-86)84-38(4)53-37(3)83-55(40(6)81(53)115-84)62(99)90(117-83)79-88(112-10)65(102)76(109(79)7)56-63(100)92(124-16)58(85-60(97)51(123-15)34-114-85)74-72(56)107-70(43-23-29-47(95)49(31-43)121-13)68(105-74)41-19-25-45(119-11)26-20-41/h19-34H,1-18H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(c[se]1)SC)C(=O)c1c(oc(c1C2=O)C)SC)c1cc(c(o1)c1cc2c(c3c(c(c(o3)c3c(cc(c4c5c(c(s4)c4cc(c(o4)c4cc6c(c7c(c(co7)C)o6)n4C)C)C(=O)c4c(C5=O)c(oc4C)SC)[se]3)SC)C)o2)n1C)C	


key: CAN_SMILES
value:
  CSc1c[se]c(c1)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1oc(c(c1)C)c1cc2c(n1C)c1c(o2)c(c(o1)c1[se]c(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1oc(c(c1)C)c1cc2c(n1C)c1c(o2)c(co1)C)C	


key: InChI
value:
  InChI=1S/C64H44N2O12S6Se2/c1-21-14-33(77-51(21)28-16-30-45(65(28)7)56-53(74-30)23(3)19-71-56)59-40-42(50(70)44-38(48(40)68)26(6)73-64(44)82-12)61(84-59)36-18-34(80-10)62(86-36)55-24(4)54-57(78-55)46-31(75-54)17-29(66(46)8)52-22(2)13-32(76-52)58-39-41(60(83-58)35-15-27(79-9)20-85-35)49(69)43-37(47(39)67)25(5)72-63(43)81-11/h13-20H,1-12H3


key: SMILES
value:
  c1(c2c(c([se]1)c1ccc[se]1)C(=O)c1c(C2=O)cc(c(c1)F)OC)c1cc(c([se]1)c1c(c2c(c(c(o2)c2ccc(c3c4c(c([se]3)c3cc(c([se]3)c3c(c5c(c(co5)OC)n3C)OC)OC)C(=O)c3c(C4=O)cc(c(c3)OC)F)[se]2)OC)n1C)OC)OC	


key: CAN_SMILES
value:
  COc1cc([se]c1c1c(OC)c2c(n1C)c(c(o2)c1ccc([se]1)c1[se]c(c2c1C(=O)c1cc(F)c(cc1C2=O)OC)c1[se]c(c(c1)OC)c1c(OC)c2c(n1C)c(co2)OC)OC)c1[se]c(c2c1C(=O)c1cc(OC)c(cc1C2=O)F)c1ccc[se]1	


key: InChI
value:
  InChI=1S/C62H42F2N2O14Se6/c1-65-43-33(75-7)22-79-55(43)53(77-9)45(65)57-31(73-5)20-38(83-57)62-42-40(48(68)24-17-28(64)30(72-4)19-26(24)50(42)70)60(86-62)36-14-13-34(82-36)51-52(76-8)44-56(80-51)54(78-10)46(66(44)2)58-32(74-6)21-37(84-58)61-41-39(59(85-61)35-12-11-15-81-35)47(67)23-16-27(63)29(71-3)18-25(23)49(41)69/h11-22H,1-10H3


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(cc(c2c1cc2c([se]1)c1c([SiH2]2)ccs1)C)c1cc2c(s1)c1c([SiH2]2)cc([se]1)c1c(C)ccc2c1nn(n2)C	


key: InChI
value:
  InChI=1S/C32H24N6S2Se2Si2/c1-13-5-6-16-27(35-37(3)33-16)24(13)18-11-23-32(42-18)30-21(44-23)10-17(40-30)15-9-14(2)25(28-26(15)34-38(4)36-28)19-12-22-31(41-19)29-20(43-22)7-8-39-29/h5-12H,43-44H2,1-4H3


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1c(c2c(c(c(o2)c2ccc(c3c4c(c(o3)c3cc(c(s3)c3c(c5c(c(co5)OC)n3C)OC)F)C(=O)c3c(C4=O)coc3F)[se]2)OC)n1C)OC)F	


key: CAN_SMILES
value:
  COc1c(oc2c1n(C)c(c2OC)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1)c1ccc([se]1)c1oc(c2c1C(=O)c1c(C2=O)c(oc1)F)c1cc(c(s1)c1n(C)c2c(c1OC)occ2OC)F	


key: InChI
value:
  InChI=1S/C54H28F4N2O14S2Se2/c1-59-33-21(65-3)16-69-49(33)47(67-5)35(59)51-19(55)12-23(75-51)42-32-30(38(62)18-15-71-54(58)28(18)40(32)64)44(73-42)25-9-10-26(78-25)45-46(66-4)34-50(74-45)48(68-6)36(60(34)2)52-20(56)13-22(76-52)41-31-29(43(72-41)24-8-7-11-77-24)37(61)17-14-70-53(57)27(17)39(31)63/h7-16H,1-6H3


key: SMILES
value:
  c1(c2c(c([se]1)c1cc(c[se]1)F)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(s1)c1ccc(c2cc(c(o2)c2c(cc(c3c4c(c([se]3)c3cc(c(s3)c3ccc(c5cc(co5)SC)s3)F)C(=O)c3c(C4=O)cc(c(c3)C)OC)[se]2)F)SC)s1)F	


key: CAN_SMILES
value:
  CSc1coc(c1)c1ccc(s1)c1sc(cc1F)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)C)OC)c1[se]c(c(c1)F)c1oc(cc1SC)c1ccc(s1)c1sc(cc1F)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)C)OC)c1[se]cc(c1)F	


key: InChI
value:
  InChI=1S/C62H34F4O8S6Se4/c1-23-11-27-29(15-34(23)71-3)53(69)49-47(51(27)67)59(83-61(49)45-13-25(63)22-81-45)43-17-32(65)57(79-43)41-10-8-39(78-41)37-20-42(76-6)55(74-37)58-33(66)19-46(82-58)62-50-48(52(68)28-12-24(2)35(72-4)16-30(28)54(50)70)60(84-62)44-18-31(64)56(80-44)40-9-7-38(77-40)36-14-26(75-5)21-73-36/h7-22H,1-6H3


key: InChI
value:
  InChI=1S/C19H15N3O3SSe/c1-23-12-5-4-9-15(22-19(26-3)18(21-9)24-2)14(12)13-8-11-16(25-13)17-10(20-11)6-7-27-17/h4-8,20H,1-3H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)F)C)c1cc(cc(c1)OC)SC)c1c(c(cn1C)OC)SC)SC)SC)c1ccc(o1)c1oc2c3sc(cc3[nH]c2c1)c1c(c(c(c2c(c(c(c3c2nc(c(n3)c2cc(cc(c2)OC)SC)c2cc(c(c(c2)C)F)C)c2ccc(o2)c2oc3c4sccc4[nH]c3c2)SC)SC)n1C)SC)OC	


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3oc4c(c3)[nH]c3c4scc3)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1c(SC)c(c(n1C)c1sc2c(c1)[nH]c1c2oc(c1)c1ccc(o1)c1c(SC)c(SC)c(c2c1nc(c1cc(OC)cc(c1)SC)c(n2)c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)OC)SC	


key: InChI
value:
  InChI=1S/C90H76F2N8O8S10/c1-39-25-43(26-40(2)67(39)91)69-71(45-29-47(101-7)33-49(31-45)109-11)95-73-63(86(112-14)88(114-16)65(75(73)97-69)78-85(111-13)61(103-9)38-99(78)5)57-22-20-56(106-57)60-36-53-81(108-60)84-54(94-53)37-62(118-84)77-82(104-10)90(116-18)79(100(77)6)66-76-74(96-72(46-30-48(102-8)34-50(32-46)110-12)70(98-76)44-27-41(3)68(92)42(4)28-44)64(87(113-15)89(66)115-17)58-21-19-55(105-58)59-35-52-80(107-59)83-51(93-52)23-24-117-83/h19-38,93-94H,1-18H3


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1c(cc(c2ccc(n2C)c2ccc(c3c4c(c(o3)c3cc(c(s3)c3c(cc(c5cccn5C)o3)C)F)C(=O)c3c(C4=O)coc3F)[se]2)o1)C)F	


key: CAN_SMILES
value:
  Cc1cc(oc1c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1)c1ccc(n1C)c1ccc([se]1)c1oc(c2c1C(=O)c1c(C2=O)c(oc1)F)c1cc(c(s1)c1oc(cc1C)c1cccn1C)F	


key: InChI
value:
  InChI=1S/C56H28F4N2O10S2Se2/c1-21-15-30(27-7-5-13-61(27)3)69-47(21)53-25(57)18-33(74-53)50-42-40(44(64)24-20-68-56(60)38(24)46(42)66)52(72-50)36-12-11-34(76-36)29-10-9-28(62(29)4)31-16-22(2)48(70-31)54-26(58)17-32(73-54)49-41-39(51(71-49)35-8-6-14-75-35)43(63)23-19-67-55(59)37(23)45(41)65/h5-20H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1ccc(c2cc(c(n2C)c2c(c3c(c(c(c4c(c(c(c5c4nsn5)c4c(c5c(o4)c(c(n5C)c4ccc(c5cc(cn5C)OC)n4C)C)C)SC)C)o3)OC)o2)F)OC)n1C)C)C	


key: CAN_SMILES
value:
  COc1cn(c(c1)c1ccc(n1C)c1c(C)c2c(n1C)c(c(o2)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)oc(c2F)c1c(OC)cc(n1C)c1ccc(n1C)c1c(C)c2c(n1C)c(c(o2)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)C)C)C	


key: InChI
value:
  InChI=1S/C70H62F2N10O10S4/c1-27-42(61-65(85-15)67-60(90-61)34(71)26-87-67)47-49(75-95-73-47)44(69(27)93-17)56-32(6)54-59(89-56)30(4)52(82(54)12)38-22-20-36(79(38)9)40-24-41(84-14)55(80(40)10)63-46(72)64-68(92-63)66(86-16)62(91-64)43-28(2)70(94-18)45(50-48(43)74-96-76-50)57-31(5)53-58(88-57)29(3)51(81(53)11)37-21-19-35(78(37)8)39-23-33(83-13)25-77(39)7/h19-26H,1-18H3


key: SMILES
value:
  c1(c(c(cc2nonc12)SC)SC)c1[se]c2c3[se]c(cc3[nH]c2c1)c1c(c(c(c2c1non2)c1[se]c2c3[se]ccc3[nH]c2c1)SC)SC	


key: CAN_SMILES
value:
  CSc1c(c2cc3c([se]2)c2c([nH]3)cc([se]2)c2c(SC)c(SC)cc3c2non3)c2nonc2c(c1SC)c1cc2c([se]1)c1c([nH]2)cc[se]1	


key: InChI
value:
  InChI=1S/C32H20N6O2S4Se4/c1-41-16-7-12-23(36-39-35-12)20(26(16)42-2)17-9-14-31(47-17)32-15(34-14)10-19(48-32)22-25-24(37-40-38-25)21(27(43-3)28(22)44-4)18-8-13-30(46-18)29-11(33-13)5-6-45-29/h5-10,33-34H,1-4H3


key: SMILES
value:
  c1(ccc(c2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1cc(c(c(c1)C)OC)OC)c1cc(cn1C)SC)c1c(c(c(n1C)c1cc2c(c3c(c(c(o3)c3c(cc(c4ccc(c5c4nc(c(n5)c4cc(c(c(c4)C)OC)OC)c4cc(c(c(c4)F)SC)F)c4c(c(c(n4C)c4cc5c(c6c(c(co6)C)o5)n4C)C)C)n3C)SC)C)o2)n1C)C)C	


key: CAN_SMILES
value:
  CSc1cc(n(c1)C)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1n(C)c(c(c1C)C)c1cc2c(n1C)c1c(o2)c(c(o1)c1c(SC)cc(n1C)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1c(C)c(c(n1C)c1cc2c(n1C)c1c(o2)c(co1)C)C)C	


key: InChI
value:
  InChI=1S/C94H84F4N10O8S4/c1-41-27-49(33-68(109-15)86(41)111-17)71-73(51-29-58(95)93(119-21)59(96)30-51)99-75-54(62-35-53(117-19)39-103(62)9)23-25-56(77(75)101-71)79-45(5)47(7)82(108(79)14)65-37-67-84(106(65)12)92-90(115-67)48(8)89(116-92)85-70(118-20)38-63(104(85)10)55-24-26-57(80-44(4)46(6)81(107(80)13)64-36-66-83(105(64)11)91-88(114-66)43(3)40-113-91)78-76(55)100-74(52-31-60(97)94(120-22)61(98)32-52)72(102-78)50-28-42(2)87(112-18)69(34-50)110-16/h23-40H,1-22H3


key: SMILES
value:
  c1(ccc(c2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1cc(c(c(c1)C)OC)OC)c1cc(cn1C)SC)c1c(c(c(n1C)c1cc2c(c3c(c(co3)C)o2)n1C)C)C	


key: InChI
value:
  InChI=1S/C47H43F2N5O4S2/c1-22-14-26(17-36(55-8)44(22)56-9)37-38(27-15-31(48)47(60-11)32(49)16-27)50-39-29(33-18-28(59-10)20-52(33)5)12-13-30(40(39)51-37)41-24(3)25(4)42(54(41)7)34-19-35-43(53(34)6)46-45(58-35)23(2)21-57-46/h12-21H,1-11H3


key: CAN_SMILES
value:
  CSc1cc(n(c1)C)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1c(C)c(c(n1C)c1cc2c(n1C)c1c(o2)c(co1)C)C	


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1oc2c3sc(cc3[GeH2]c2c1)c1c(c2c(c(c(c3c(c(c(c4c3nsn4)c3c(c4c(o3)c(c(n4C)c3oc4c5sccc5[GeH2]c4c3)C)C)SC)C)o2)OC)o1)F)C)C	


key: CAN_SMILES
value:
  COc1c2oc(c(c2oc1c1c(C)c(SC)c(c2c1nsn2)c1oc2c(c1C)n(c(c2C)c1cc2c(o1)c1c([GeH2]2)ccs1)C)F)c1cc2c(s1)c1c([GeH2]2)cc(o1)c1c(C)c2c(n1C)c(c(o2)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)C	


key: InChI
value:
  InChI=1S/C64H46F2Ge2N6O10S6/c1-19-33(54-57(75-9)59-50(82-54)25(65)18-77-59)38-40(71-89-69-38)35(61(19)85-11)46-24(6)45-49(81-46)22(4)43(74(45)8)31-16-28-52(79-31)64-29(68-28)17-32(88-64)53-37(66)56-60(83-53)58(76-10)55(84-56)34-20(2)62(86-12)36(41-39(34)70-90-72-41)47-23(5)44-48(80-47)21(3)42(73(44)7)30-15-27-51(78-30)63-26(67-27)13-14-87-63/h13-18H,67-68H2,1-12H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cccc(c1)OC)c1cc(c(c(c1)OC)F)SC)SC)F)c1oc2c(c(c3c(c2C)c(c(o3)c2c(c(c(c3c2nc(c(n3)c2cc(c(c(c2)OC)F)SC)c2cccc(c2)OC)c2oc3c(c(c4c(c3C)c(co4)C)C)c2F)F)SC)C)C)c1F	


key: CAN_SMILES
value:
  COc1cccc(c1)c1nc2c(c3oc4c(c3C)c(C)c3c(c4C)c(F)c(o3)c3c(F)c(SC)cc4c3nc(c3cc(OC)c(c(c3)SC)F)c(n4)c3cccc(c3)OC)c(SC)c(c(c2nc1c1cc(OC)c(c(c1)SC)F)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1)F	


key: InChI
value:
  InChI=1S/C74H56F6N4O8S4/c1-29-28-89-67-33(5)49-57(78)73(91-69(49)30(2)47(29)67)52-59(80)74(96-14)53(66-65(52)84-63(38-24-43(88-10)55(76)45(26-38)94-12)61(83-66)36-18-16-20-40(22-36)86-8)71-32(4)48-31(3)70-50(34(6)68(48)90-71)58(79)72(92-70)51-56(77)46(95-13)27-41-64(51)82-62(37-23-42(87-9)54(75)44(25-37)93-11)60(81-41)35-17-15-19-39(21-35)85-7/h15-28H,1-14H3


key: InChI
value:
  InChI=1S/C24H22FN3O2S4/c1-28-14-9-11-12(25)10-34-20(11)22(32-5)16(14)21(31-4)19(28)17-15(29-2)8-7-13-18(17)27-24(33-6)23(26-13)30-3/h7-10H,1-6H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(co1)SC)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1cc(c(c2c(cc(n2C)c2c(cc(c3c4c(c(s3)c3cc(c(o3)c3cc(c(c5c(ccn5C)F)s3)SC)F)C(=O)c3c(C4=O)cc(c(c3)C)OC)o2)SC)F)s1)SC)F	


key: CAN_SMILES
value:
  CSc1coc(c1)c1sc(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1oc(c(c1)F)c1cc(c(s1)c1c(F)cc(n1C)c1oc(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1oc(c(c1)F)c1cc(c(s1)c1n(C)ccc1F)SC)SC	


key: InChI
value:
  InChI=1S/C66H44F4N2O10S8/c1-25-13-28-30(16-37(25)77-5)56(75)48-49(54(28)73)62(89-61(48)39-15-27(83-7)24-79-39)40-19-35(70)59(80-40)45-23-47(86-10)66(88-45)53-33(68)18-36(72(53)4)60-43(84-8)21-42(82-60)64-51-50(55(74)29-14-26(2)38(78-6)17-31(29)57(51)76)63(90-64)41-20-34(69)58(81-41)44-22-46(85-9)65(87-44)52-32(67)11-12-71(52)3/h11-24H,1-10H3


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)c1c(c(c(n1C)c1cc(c(c2ccc(s2)c2c(c(c(c3cc(c(c4c3nsn4)c3c(c(c(n3C)c3cc(c(c4cccs4)s3)SC)C)SC)C)o2)F)SC)s1)SC)C)SC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1ccc(s1)c1oc(c(c1SC)F)c1cc(C)c(c2c1nsn2)c1n(C)c(c(c1SC)C)c1sc(c(c1)SC)c1cccs1)c1n(C)c(c(c1C)SC)c1c(C)cc(c2c1nsn2)c1occ(c1F)SC	


key: InChI
value:
  InChI=1S/C56H46F2N6O2S12/c1-23-18-27(49-39(57)36(69-9)22-65-49)41-43(61-77-59-41)37(23)47-53(71-11)26(4)46(64(47)6)33-21-35(68-8)55(76-33)31-16-15-29(74-31)51-56(72-12)40(58)50(66-51)28-19-24(2)38(44-42(28)60-78-62-44)48-52(70-10)25(3)45(63(48)5)32-20-34(67-7)54(75-32)30-14-13-17-73-30/h13-22H,1-12H3


key: InChI
value:
  InChI=1S/C31H23FO7S4/c1-14-8-16-17(10-19(14)35-2)27(34)25(26(16)33)30(22-9-15(40-4)13-37-22)43-24-11-18(32)28(39-24)21-12-20(36-3)29(38-21)31-23(41-5)6-7-42-31/h6-13H,1-5H3/b30-25+


key: InChI
value:
  InChI=1S/C34H27N3O5S5/c1-37-14-16(43-3)9-18(37)24-7-8-25(47-24)19-11-22-33(40-19)34(46-6)31(42-22)17-10-26(44-4)28(30-29(17)36-27(45-5)13-35-30)20-12-21-32(41-20)23(38-2)15-39-21/h7-15H,1-6H3


key: InChI
value:
  InChI=1S/C32H25N3O7S3/c1-35-15-7-8-38-28(15)31(37-3)26(35)17-11-19-30(41-17)32(45-6)27(42-19)14-9-21(43-4)23(25-24(14)34-22(44-5)12-33-25)16-10-18-29(40-16)20(36-2)13-39-18/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C37H27FN2O7S3/c1-14-12-43-31-16(3)26-28(38)35(47-32(26)15(2)25(14)31)20-10-21-36(46-20)37(50-7)33(45-21)17-8-23(48-5)27(30-29(17)40-24(49-6)11-39-30)18-9-19-34(44-18)22(41-4)13-42-19/h8-13H,1-7H3


key: InChI
value:
  InChI=1S/C32H21N3O6S4/c1-36-21-12-37-19-10-18(40-29(19)21)24-22(42-2)7-13(25-26(24)33-11-23(35-25)43-3)27-32(44-4)30-20(41-27)9-17(39-30)16-8-15-28(38-16)31-14(34-15)5-6-45-31/h5-12,34H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cc(cc(c1)C)F)c1c(c2c(s1)c(cs2)F)F)SC)OC)c1c(c2c(c(c(s2)c2ccc(c3cc(cn3C)OC)o2)F)n1C)F	


key: InChI
value:
  InChI=1S/C48H34F6N4O4S5/c1-19-11-20(13-22(49)12-19)36-37(21-14-28(60-5)32(51)29(15-21)63-7)56-39-31(45-35(54)48-43(66-45)24(50)18-65-48)46(64-8)42(61-6)30(38(39)55-36)40-33(52)47-41(58(40)3)34(53)44(67-47)27-10-9-26(62-27)25-16-23(59-4)17-57(25)2/h9-18H,1-8H3


key: CAN_SMILES
value:
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key: SMILES
value:
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key: InChI
value:
  InChI=1S/C44H25F8N3O2S7/c1-14-7-15(9-17(45)8-14)29-30(16-10-20(56-3)24(48)21(11-16)58-5)54-32-23(38-27(51)41-36(62-38)18(46)12-60-41)39(59-6)35(57-4)22(31(32)53-29)33-25(49)40-34(55(33)2)26(50)43(64-40)44-28(52)42-37(63-44)19(47)13-61-42/h7-13H,1-6H3


key: CAN_SMILES
value:
  COc1c(SC)c(c2c(c1c1n(C)c3c(c1F)sc(c3F)c1sc3c(c1F)scc3F)nc(c(n2)c1cc(OC)c(c(c1)SC)F)c1cc(C)cc(c1)F)c1sc2c(c1F)scc2F	


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cc(cc(c1)C)F)c1c(c2c(s1)c(cs2)F)F)SC)OC)c1c(c2c(c(c(s2)c2ccc(c3c(cco3)OC)s2)F)n1C)F	


key: InChI
value:
  InChI=1S/C47H31F6N3O4S6/c1-18-12-19(14-21(48)13-18)34-35(20-15-24(58-4)30(50)27(16-20)61-6)55-37-29(44-33(53)47-42(65-44)22(49)17-63-47)45(62-7)41(59-5)28(36(37)54-34)38-31(51)46-39(56(38)2)32(52)43(66-46)26-9-8-25(64-26)40-23(57-3)10-11-60-40/h8-17H,1-7H3


key: CAN_SMILES
value:
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key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)F)C)F)c1cc(c(c(c1)OC)C)OC)c1c(c2c(s1)c(cs2)C)OC)OC)OC)c1cc2c(s1)c(c(n2C)c1oc2c3[se]ccc3[SiH2]c2c1)F	


key: InChI
value:
  InChI=1S/C49H38F3N3O6S3SeSi/c1-19-18-62-48-44(60-9)47(64-45(19)48)34-39-38(53-37(23-14-27(56-5)21(3)28(15-23)57-6)36(54-39)22-12-24(50)20(2)25(51)13-22)33(42(58-7)43(34)59-8)30-16-26-46(63-30)35(52)40(55(26)4)29-17-32-41(61-29)49-31(66-32)10-11-65-49/h10-18H,66H2,1-9H3


key: CAN_SMILES
value:
  COc1c(OC)c(c2c(c1c1cc3c(s1)c(c(n3C)c1cc3c(o1)c1c([SiH2]3)cc[se]1)F)nc(c(n2)c1cc(F)c(c(c1)F)C)c1cc(OC)c(c(c1)OC)C)c1sc2c(c1OC)scc2C	


key: InChI
value:
  InChI=1S/C37H28FN3O5S6/c1-41-18-8-15-17(38)14-52-34(15)36(50-6)26(18)35(49-5)30(41)20-11-22-33(45-20)37(51-7)31(46-22)16-9-24(47-3)27(29-28(16)40-25(48-4)12-39-29)19-10-21-32(44-19)23(42-2)13-43-21/h8-14H,1-7H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1oc2c3[se]ccc3[nH]c2c1)SC)C	


key: InChI
value:
  InChI=1S/C48H36FN3O4S6Se/c1-20-13-23(15-26(49)40(20)54-5)36-37(24-14-21(2)44(58-7)34(16-24)57-6)51-38-25(32-19-33-31(61-32)9-11-60-33)17-29(53-4)35(39(38)52-36)45-22(3)41-47(62-45)46(59-8)43(56-41)30-18-28-42(55-30)48-27(50-28)10-12-63-48/h9-19,50H,1-8H3


key: CAN_SMILES
value:
  COc1cc(c2cc3c(s2)ccs3)c2c(c1c1sc3c(c1C)oc(c3SC)c1cc3c(o1)c1c([nH]3)cc[se]1)nc(c(n2)c1cc(C)c(c(c1)SC)SC)c1cc(C)c(c(c1)F)OC	


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1[se]c2c3sccc3[SiH2]c2c1)SC)C	


key: InChI
value:
  InChI=1S/C48H37FN2O3S7SeSi/c1-20-13-23(15-26(49)40(20)53-5)36-37(24-14-21(2)43(56-7)31(16-24)55-6)50-38-25(29-18-30-28(60-29)9-11-58-30)17-27(52-4)35(39(38)51-36)44-22(3)41-47(61-44)46(57-8)42(54-41)32-19-34-48(62-32)45-33(63-34)10-12-59-45/h9-19H,63H2,1-8H3


key: CAN_SMILES
value:
  COc1cc(c2cc3c(s2)ccs3)c2c(c1c1sc3c(c1C)oc(c3SC)c1cc3c([se]1)c1c([SiH2]3)ccs1)nc(c(n2)c1cc(C)c(c(c1)SC)SC)c1cc(C)c(c(c1)F)OC	


key: InChI
value:
  InChI=1S/C34H29FN4O4S4/c1-14-25-29(21(45-7)13-38(25)3)43-27(14)16-11-19(44-6)22(24-23(16)37-34(35)15(2)36-24)18-12-20-30(42-18)33(46-8)32(47-20)26-31(40-5)28-17(39(26)4)9-10-41-28/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C34H23F2NO5S5Se/c1-12-20-24(34(40-3)48-12)27(39)22-23(26(20)38)30(19-7-13(43-4)10-46-19)42-29(22)18-9-15(35)28(41-18)25-32(44-5)21-17(37(25)2)8-14-16(36)11-47-31(14)33(21)45-6/h7-11H,1-6H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(c(s3)c1c(c2c(c(c(c3c(c(c(c4c3nsn4)c3c(c4c(o3)c(c(n4C)c3c(c4c(c5c(c(c4n3C)c3ccc(s3)SC)c(cs5)SC)c3cc(c(s3)C)F)C)C)C)SC)C)o2)OC)o1)F)SC)c1cc(c(s1)C)F)C)C)C	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)c(sc2c(c2c1n(C)c(c2C)c1c(C)c2c(n1C)c(c(o2)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)C)c1cc(c(s1)C)F)c1oc2c(c1F)oc(c2OC)c1c(C)c(SC)c(c2c1nsn2)c1oc2c(c1C)n(c(c2C)c1c(C)c2c(n1C)c(c1ccc(s1)SC)c1c(c2c2cc(c(s2)C)F)scc1SC)C	


key: InChI
value:
  InChI=1S/C94H74F4N8O8S14/c1-31-51-57(46-27-41(95)39(9)122-46)91-59(48(115-17)30-121-91)55(44-23-25-49(116-18)124-44)74(51)105(13)68(31)70-35(5)78-72(103(70)11)37(7)77(111-78)62-67-65(100-128-102-67)54(34(4)90(62)119-21)82-86(108-16)88-83(113-82)63(98)84(114-88)94-93(120-22)60-56(45-24-26-50(117-19)125-45)75-52(58(92(60)126-94)47-28-42(96)40(10)123-47)32(2)69(106(75)14)71-36(6)79-73(104(71)12)38(8)76(110-79)61-66-64(99-127-101-66)53(33(3)89(61)118-20)81-85(107-15)87-80(112-81)43(97)29-109-87/h23-30H,1-22H3


key: CAN_SMILES
value:
  Cc1cnc2c(n1)c(cc(c2c1cc2c(o1)c1c([nH]2)cc[se]1)F)c1cc2c([se]1)c1c([nH]2)cc(o1)c1c(F)ccc2c1ncc(n2)C	


key: InChI
value:
  InChI=1S/C34H18F2N6O2Se2/c1-13-11-37-29-18(39-13)4-3-16(35)26(29)23-9-21-32(44-23)34-22(42-21)10-25(46-34)15-7-17(36)27(30-28(15)40-14(2)12-38-30)24-8-20-31(43-24)33-19(41-20)5-6-45-33/h3-12,41-42H,1-2H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cc(cc(c1)C)F)c1c(c2c(s1)c(cs2)F)F)SC)OC)c1c(c2c(c(c(s2)c2ccc(c3cc(c(n3C)c3c(c4c(c(c(c5c(c(c(c6c5nc(c(n6)c5cc(cc(c5)C)F)c5cc(c(c(c5)OC)F)SC)c5c(c6c(c(c(s6)c6ccc(c7cc(cn7C)OC)o6)F)n5C)F)OC)SC)s4)F)s3)F)OC)o2)F)n1C)F	


key: CAN_SMILES
value:
  COc1cn(c(c1)c1ccc(o1)c1sc2c(c1F)n(c(c2F)c1c(OC)c(SC)c(c2c1nc(c1cc(C)cc(c1)F)c(n2)c1cc(OC)c(c(c1)SC)F)c1sc2c(c1F)sc(c2F)c1c(OC)cc(n1C)c1ccc(o1)c1sc2c(c1F)n(c(c2F)c1c(OC)c(SC)c(c2c1nc(c1cc(C)cc(c1)F)c(n2)c1cc(OC)c(c(c1)SC)F)c1sc2c(c1F)scc2F)C)C)C	


key: InChI
value:
  InChI=1S/C96H66F12N8O8S10/c1-35-21-37(25-41(97)23-35)69-71(39-27-51(118-8)60(100)54(29-39)125-13)111-75-58(87-66(106)94-84(130-87)44(99)34-129-94)89(127-15)82(121-11)56(73(75)109-69)78-63(103)92-81(116(78)6)65(105)86(132-92)50-20-18-48(124-50)46-32-53(120-10)77(114(46)4)93-68(108)96-95(134-93)67(107)88(133-96)59-76-74(110-70(38-22-36(2)24-42(98)26-38)72(112-76)40-28-52(119-9)61(101)55(30-40)126-14)57(83(122-12)90(59)128-16)79-62(102)91-80(115(79)5)64(104)85(131-91)49-19-17-47(123-49)45-31-43(117-7)33-113(45)3/h17-34H,1-16H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1sc2c(c(c3c(c2c2ccc(s2)F)c(c(s3)c2c(c3c(c(c(c4c(c(c(c5c4nsn5)c4c(c5c(o4)c(c(n5C)c4sc5c(c(c6c(c5c5ccc(s5)F)c(cs6)SC)c5cc(c(s5)OC)C)c4)C)C)SC)C)o3)OC)o2)F)SC)c2cc(c(s2)OC)C)c1)C)C	


key: CAN_SMILES
value:
  COc1sc(cc1C)c1c2sc(c(c2c(c2c1cc(s2)c1c(C)c2c(n1C)c(c(o2)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)C)c1ccc(s1)F)SC)c1oc2c(c1F)oc(c2OC)c1c(C)c(SC)c(c2c1nsn2)c1oc2c(c1C)n(c(c2C)c1cc2c(s1)c(c1ccc(s1)F)c1c(c2c2cc(c(s2)OC)C)scc1SC)C	


key: InChI
value:
  InChI=1S/C90H64F4N6O10S14/c1-29-23-42(120-89(29)103-13)51-37-25-44(118-83(37)53(40-19-21-47(92)116-40)55-46(111-15)28-115-85(51)55)64-33(5)70-66(99(64)9)35(7)69(107-70)58-63-61(96-124-98-63)50(32(4)82(58)113-17)74-78(102-12)80-75(109-74)59(94)76(110-80)88-87(114-18)56-54(41-20-22-48(93)117-41)84-38(52(86(56)122-88)43-24-30(2)90(104-14)121-43)26-45(119-84)65-34(6)71-67(100(65)10)36(8)68(106-71)57-62-60(95-123-97-62)49(31(3)81(57)112-16)73-77(101-11)79-72(108-73)39(91)27-105-79/h19-28H,1-18H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(c(cn2C)SC)n1C)SC)C)F)c1c(c2c(s1)c(c(o2)c1ccc(c2cc(c(n2C)c2c(c3c(c(c(c4c(c(c(c5c4nn(n5)C)c4c(c5c(s4)c(c(o5)c4ccc(c5cc(cn5C)OC)n4C)C)SC)F)C)n3C)SC)n2C)SC)OC)n1C)C)SC	


key: CAN_SMILES
value:
  COc1cn(c(c1)c1ccc(n1C)c1oc2c(c1C)sc(c2SC)c1c(F)c(C)c(c2c1nn(n2)C)c1c(SC)c2c(n1C)c(c(n2C)c1c(OC)cc(n1C)c1ccc(n1C)c1oc2c(c1C)sc(c2SC)c1c(F)c(C)c(c2c1nn(n2)C)c1n(C)c2c(c1SC)n(cc2SC)C)SC)C	


key: InChI
value:
  InChI=1S/C74H74F2N14O4S8/c1-31-44(56-70(96-18)58-55(86(56)10)43(95-17)30-82(58)6)50-52(79-89(13)77-50)46(48(31)75)68-74(100-22)65-67(102-68)34(4)63(94-65)39-26-24-37(84(39)8)41-28-42(92-16)54(85(41)9)59-72(98-20)61-60(88(59)12)71(97-19)57(87(61)11)45-32(2)49(76)47(53-51(45)78-90(14)80-53)69-73(99-21)64-66(101-69)33(3)62(93-64)38-25-23-36(83(38)7)40-27-35(91-15)29-81(40)5/h23-30H,1-22H3


key: SMILES
value:
  c1(c(c(c(c2c1ncc(n2)SC)c1c(c2c(c(co2)OC)n1C)C)C)OC)c1cc2c(s1)c(c(n2C)c1[se]c2c3[se]c(cc3[nH]c2c1)c1c(c2c(c(c(c3c(c(c(c4c3nc(cn4)SC)c3cc4c(s3)c(c(n4C)c3[se]c4c5[se]ccc5[nH]c4c3)C)OC)C)n2C)C)o1)OC)C	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1cc2c(s1)c(c(n2C)c1cc2c([se]1)c1c([nH]2)cc[se]1)C)OC)C)c1n(C)c2c(c1C)oc(c2OC)c1cc2c([se]1)c1c([nH]2)cc([se]1)c1n(C)c2c(c1C)sc(c2)c1c(OC)c(C)c(c2c1ncc(n2)SC)c1n(C)c2c(c1C)occ2OC	


key: InChI
value:
  InChI=1S/C72H60N10O6S4Se4/c1-27-47(57-29(3)63-59(81(57)9)39(83-11)26-87-63)53-51(73-24-45(77-53)89-15)49(61(27)84-12)40-23-38-68(92-40)32(6)56(80(38)8)43-20-35-71(95-43)72-36(76-35)21-44(96-72)65-66(86-14)60-64(88-65)30(4)58(82(60)10)48-28(2)62(85-13)50(52-54(48)78-46(90-16)25-74-52)41-22-37-67(91-41)31(5)55(79(37)7)42-19-34-70(94-42)69-33(75-34)17-18-93-69/h17-26,75-76H,1-16H3


key: InChI
value:
  InChI=1S/C32H24FNO7S3Se/c1-13-21-24(32(38-4)45-13)27(36)22-23(26(21)35)31(20-9-14(42-5)12-44-20)41-29(22)18-10-15(33)28(40-18)30-17(37-3)11-16(39-30)25-19(43-6)7-8-34(25)2/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C30H20FNO6Se3/c1-32-16-7-8-38-26(16)27(37-4)23(32)28-18(36-3)12-20(40-28)30-22-21(29(41-30)19-6-5-9-39-19)24(33)13-10-15(31)17(35-2)11-14(13)25(22)34/h5-12H,1-4H3


key: InChI
value:
  InChI=1S/C29H19FO6S2SeSi/c1-12-6-14-15(8-17(12)33-2)25(32)23(24(14)31)28(19-7-13(37-3)11-34-19)38-22-9-16(30)26(36-22)18-10-21-27(35-18)29-20(40-21)4-5-39-29/h4-11H,40H2,1-3H3/b28-23+


key: InChI
value:
  InChI=1S/C17H15N3OS3/c1-20-9-10(22-3)8-12(20)14-6-7-15(23-14)16-13(21-2)5-4-11-17(16)19-24-18-11/h4-9H,1-3H3


key: InChI
value:
  InChI=1S/C16H11N3O4Se/c1-20-11-5-8-13(19-23-18-8)12(15(11)21-2)10-6-9-14(22-10)16-7(17-9)3-4-24-16/h3-6,17H,1-2H3


key: InChI
value:
  InChI=1S/C18H15N3O5/c1-8-7-24-18-15-11(25-16(8)18)6-10(21(15)2)13-14-9(19-26-20-14)5-12(22-3)17(13)23-4/h5-7H,1-4H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(co1)SC)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(c(s3)c2c(cc(c3c4c(c(s3)c3cc(c(o3)c3sc5c(c(c6c(c5c5cc(cc(c5)F)SC)c(cs6)C)c5cc(cc(c5)C)OC)c3)F)C(=O)c3c(C4=O)cc(c(c3)C)OC)o2)SC)C)c2cc(cc(c2)C)OC)c1)F	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2sc(c(c2c(c2c1cc(s2)c1oc(cc1F)c1sc(c2c1C(=O)c1cc(C)c(cc1C2=O)OC)c1occ(c1)SC)c1cc(F)cc(c1)SC)C)c1oc(cc1SC)c1sc(c2c1C(=O)c1cc(OC)c(cc1C2=O)C)c1cc(c(o1)c1cc2c(s1)c(c1cc(F)cc(c1)SC)c1c(c2c2cc(C)cc(c2)OC)scc1C)F	


key: InChI
value:
  InChI=1S/C98H66F4O12S10/c1-39-15-45(23-51(17-39)107-7)75-60-32-71(120-91(60)77(73-43(5)38-119-97(73)75)47-21-49(99)27-53(25-47)115-11)87-63(102)35-68(113-87)95-81-82(86(106)59-31-65(110-10)42(4)20-57(59)84(81)104)96(124-95)69-36-70(118-14)89(114-69)90-44(6)74-78(48-22-50(100)28-54(26-48)116-12)92-61(76(98(74)122-90)46-16-40(2)18-52(24-46)108-8)33-72(121-92)88-62(101)34-67(112-88)94-80-79(93(123-94)66-29-55(117-13)37-111-66)85(105)58-30-64(109-9)41(3)19-56(58)83(80)103/h15-38H,1-14H3


key: InChI
value:
  InChI=1S/C17H12FN3O2S2/c1-7-4-5-9-11(20-21(2)19-9)10(7)15-17(24-3)14-16(25-15)13-12(23-14)8(18)6-22-13/h4-6H,1-3H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(ccs2)n1C)SC)SC)OC)c1c(c2c(c(c(o2)c2ccc(c3cc(c(n3C)c3cc4c(c(c(c5c(c(c(c6c5nn(n6)C)c5c(c6c(c(c(o6)c6ccc(c7cc(cn7C)OC)n6C)C)n5C)F)OC)SC)n4C)SC)s3)OC)n2C)C)n1C)F	


key: CAN_SMILES
value:
  COc1cc(n(c1)C)c1ccc(n1C)c1oc2c(c1C)n(c(c2F)c1c(OC)c(SC)c(c2c1nn(n2)C)c1n(C)c2c(c1SC)sc(c2)c1c(OC)cc(n1C)c1ccc(n1C)c1oc2c(c1C)n(c(c2F)c1c(OC)c(SC)c(c2c1nn(n2)C)c1n(C)c2c(c1SC)scc2)C)C	


key: InChI
value:
  InChI=1S/C72H70F2N14O6S6/c1-31-54-65(93-61(31)36-23-21-34(80(36)4)39-27-33(89-13)30-79(39)3)48(73)58(85(54)9)45-51-53(78-88(12)76-51)47(70(96-18)64(45)92-16)60-72(98-20)68-41(84(60)8)29-43(100-68)56-42(90-14)28-40(83(56)7)35-22-24-37(81(35)5)62-32(2)55-66(94-62)49(74)57(86(55)10)44-50-52(77-87(11)75-50)46(69(95-17)63(44)91-15)59-71(97-19)67-38(82(59)6)25-26-99-67/h21-30H,1-20H3


key: InChI
value:
  InChI=1S/C28H13F3O5S3Se2/c1-34-15-4-11-12(5-16(15)37-2)23(33)21(22(11)32)28(19-3-10(29)9-40-19)41-20-6-13(30)24(36-20)17-7-18-27(38-17)25-26(39-18)14(31)8-35-25/h3-9H,1-2H3/b28-21-


key: InChI
value:
  InChI=1S/C29H18F2O6S2Se2/c1-34-17-6-7-36-28(17)20-5-4-19(39-20)27-16(31)11-23(37-27)41-29(22-8-13(30)12-40-22)24-25(32)14-9-18(35-2)21(38-3)10-15(14)26(24)33/h4-12H,1-3H3/b29-24-


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(cc1)F)F)c1ccccc1)SC)C)c1c(cc(c2ccc(s2)c2c(c(c(c3c2nc(c(n3)c2ccccc2)c2cc(c(cc2)F)F)c2c(cc(c3cccs3)o2)C)C)SC)o1)C	


key: CAN_SMILES
value:
  CSc1cc2nc(c3ccc(c(c3)F)F)c(nc2c(c1C)c1oc(cc1C)c1ccc(s1)c1c(SC)c(C)c(c2c1nc(c1ccc(c(c1)F)F)c(n2)c1ccccc1)c1oc(cc1C)c1cccs1)c1ccccc1	


key: InChI
value:
  InChI=1S/C62H42F4N4O2S4/c1-31-26-44(46-18-13-25-75-46)71-61(31)51-34(4)62(74-6)52(59-58(51)69-54(36-16-11-8-12-17-36)56(70-59)38-20-22-40(64)42(66)29-38)48-24-23-47(76-48)45-27-32(2)60(72-45)50-33(3)49(73-5)30-43-57(50)68-53(35-14-9-7-10-15-35)55(67-43)37-19-21-39(63)41(65)28-37/h7-30H,1-6H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)F)SC)SC)SC)c1c(c2c(c(c(o2)c2c(c(c(c3c2nc(c(n3)SC)F)c2c(c3c(c(co3)OC)n2C)OC)SC)SC)OC)n1C)OC	


key: CAN_SMILES
value:
  COc1c(oc2c1n(C)c(c2OC)c1c(SC)c(SC)cc2c1nc(SC)c(n2)F)c1c(SC)c(SC)c(c2c1nc(F)c(n2)SC)c1c(OC)c2c(n1C)c(co2)OC	


key: InChI
value:
  InChI=1S/C40H38F2N6O6S6/c1-47-24-16(49-3)14-53-32(24)29(50-4)26(47)19-22-23(44-38(42)40(46-22)60-12)20(36(58-10)35(19)57-9)28-31(52-6)27-33(54-28)30(51-5)25(48(27)2)18-21-15(13-17(55-7)34(18)56-8)43-37(41)39(45-21)59-11/h13-14H,1-12H3


key: InChI
value:
  InChI=1S/C32H22FNO8S/c1-34-13-17(38-3)11-20(34)21-7-8-22(41-21)32-24(39-4)12-25(43-32)31-27-26(30(42-31)23-9-15(33)14-40-23)28(35)18-6-5-16(37-2)10-19(18)29(27)36/h5-14H,1-4H3


key: InChI
value:
  InChI=1S/C18H18N4O2/c1-11-5-6-13-18(20-22(3)19-13)17(11)16-8-7-15(24-16)14-9-12(23-4)10-21(14)2/h5-10H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)OC)SC)c1cc(c(c(c1)F)OC)F)c1c(c2c(c(cs2)F)n1C)OC)SC)OC)c1c(c2c(s1)c(c(n2C)c1oc2c3sccc3[nH]c2c1)SC)OC	


key: InChI
value:
  InChI=1S/C51H42F3N5O6S6/c1-20-14-21(17-29(66-9)40(20)60-4)32-33(22-15-23(52)41(61-5)24(53)16-22)57-35-31(43(62-6)47(67-10)30(34(35)56-32)38-44(63-7)49-36(58(38)2)25(54)19-70-49)48-45(64-8)39-51(71-48)50(68-11)37(59(39)3)28-18-27-42(65-28)46-26(55-27)12-13-69-46/h12-19,55H,1-11H3


key: CAN_SMILES
value:
  COc1c(F)cc(cc1F)c1nc2c(nc1c1cc(C)c(c(c1)SC)OC)c(c(c(c2c1sc2c(c1OC)n(c(c2SC)c1oc2c(c1)[nH]c1c2scc1)C)OC)SC)c1c(OC)c2c(n1C)c(cs2)F	


key: SMILES
value:
  c1(c2c(c([se]1)c1cc(c[se]1)F)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(s1)c1oc2c(c(c3c(c2)c(cn3C)F)F)c1F)F	


key: InChI
value:
  InChI=1S/C33H16F5NO4SSe2/c1-11-4-13-14(6-18(11)42-3)29(41)24-23(28(13)40)32(46-33(24)21-5-12(34)10-45-21)20-8-16(35)31(44-20)30-26(38)22-19(43-30)7-15-17(36)9-39(2)27(15)25(22)37/h4-10H,1-3H3


key: SMILES
value:
  c1(c2c(c([se]1)c1cc(c[se]1)F)C(=O)c1c(C2=O)cc(c(c1)OC)SC)c1cc(c(o1)c1sc2c(c(c3c(c2OC)c(cn3C)C)OC)c1C)F	


key: InChI
value:
  InChI=1S/C37H27F2NO6S2Se2/c1-14-12-40(3)28-24(14)33(45-6)35-25(32(28)44-5)15(2)34(48-35)31-19(39)11-21(46-31)36-26-27(37(50-36)23-8-16(38)13-49-23)29(41)17-9-20(43-4)22(47-7)10-18(17)30(26)42/h8-13H,1-7H3


key: InChI
value:
  InChI=1S/C36H34N8O4/c1-19-9-10-23-34(39-43(5)37-23)31(19)28-14-12-27(48-28)25-17-30(46-8)36(42(25)4)22-15-20(2)32(35-33(22)38-44(6)40-35)29-13-11-26(47-29)24-16-21(45-7)18-41(24)3/h9-18H,1-8H3


key: InChI
value:
  InChI=1S/C17H11FN2OSeSi/c1-8-7-19-15-10(20-8)3-2-9(18)14(15)11-6-13-16(21-11)17-12(23-13)4-5-22-17/h2-7H,23H2,1H3


key: InChI
value:
  InChI=1S/C32H22FNO5Se3/c1-15-11-21(19-7-5-9-34(19)2)39-29(15)30-22(38-4)14-24(41-30)32-26-25(31(42-32)23-8-6-10-40-23)27(35)16-12-18(33)20(37-3)13-17(16)28(26)36/h5-14H,1-4H3


key: InChI
value:
  InChI=1S/C32H21FO6S4/c1-14-7-17-18(10-20(14)36-2)29(35)26-27(28(17)34)32(43-31(26)22-9-16(41-4)13-38-22)23-11-19(33)30(39-23)25-6-5-24(42-25)21-8-15(40-3)12-37-21/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C29H21FN2O2S7/c1-12-8-16(41-29(12)33-2)21-13-9-17(24-25-14(31-34-32-25)10-18(35-3)27(24)37-5)40-26(13)22(15-6-7-20(30)39-15)23-19(36-4)11-38-28(21)23/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C16H15N3OS3/c1-8-7-19(2)13-14(8)22-15(16(13)21-4)11-10(20-3)6-5-9-12(11)18-23-17-9/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C30H24F2N4S5/c1-13-23-25(20-11-17(32)14(2)40-20)30-26(21(37-5)12-39-30)24(19-7-8-22(38-6)41-19)29(23)35(3)28(13)16-9-15(31)10-18-27(16)34-36(4)33-18/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C21H18FN3O3S3/c1-25-12-6-9-10(22)8-31-19(9)21(30-5)14(12)20(29-4)17(25)15-16-11(23-28-24-16)7-13(26-2)18(15)27-3/h6-8H,1-5H3


key: InChI
value:
  InChI=1S/C17H17N3O2S3/c1-8-7-25-17-13(8)20(2)14(15(17)21-3)11-12-9(18-22-19-12)6-10(23-4)16(11)24-5/h6-7H,1-5H3


key: InChI
value:
  InChI=1S/C18H17FN4O2S/c1-22-6-5-15(26-4)17(22)13-9-14(24-3)18(25-13)11-7-10(19)8-12-16(11)21-23(2)20-12/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C32H21FO7S3/c1-14-9-16-17(11-20(14)37-3)28(35)25-26(27(16)34)32(43-31(25)21-10-15(41-4)13-39-21)22-12-18(33)29(40-22)23-5-6-24(42-23)30-19(36-2)7-8-38-30/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C33H23F2NO5S4/c1-14-8-16-17(10-20(14)39-3)29(38)25-26(28(16)37)32(45-31(25)21-9-15(42-4)13-40-21)22-11-19(35)30(41-22)23-12-24(43-5)33(44-23)27-18(34)6-7-36(27)2/h6-13H,1-5H3


key: InChI
value:
  InChI=1S/C32H24FNO6S3/c1-13-7-16-17(9-19(13)37-4)27(36)22-23(26(16)35)31(43-30(22)20-8-15(41-6)11-39-20)21-10-18(33)28(40-21)25-29(38-5)32-24(34(25)3)14(2)12-42-32/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C20H20FN3O3S3/c1-24-14-10(25-2)8-27-17(14)16(26-3)15(24)12-13-9(7-11(28-4)18(12)29-5)22-19(21)20(23-13)30-6/h7-8H,1-6H3


key: InChI
value:
  InChI=1S/C31H18FNO6S2Se/c1-12-6-14-15(8-19(12)36-2)26(35)23-24(25(14)34)30(41-29(23)21-7-13(40-3)11-37-21)22-9-16(32)27(39-22)20-10-18-28(38-20)31-17(33-18)4-5-42-31/h4-11,33H,1-3H3


key: InChI
value:
  InChI=1S/C31H18F2O4S3Se2/c1-13-6-16-17(9-19(13)36-2)28(35)26-25(27(16)34)30(42-31(26)24-7-14(32)12-41-24)23-10-18(33)29(40-23)22-5-4-21(39-22)20-8-15(38-3)11-37-20/h4-12H,1-3H3


key: InChI
value:
  InChI=1S/C32H21FO5S2Se3/c1-14-7-8-39-28(14)21-12-19(37-3)29(40-21)30-20(38-4)13-23(42-30)32-25-24(31(43-32)22-6-5-9-41-22)26(34)15-10-17(33)18(36-2)11-16(15)27(25)35/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C34H26FNO7S3/c1-15-9-17-18(11-20(15)39-3)30(38)26-27(29(17)37)34(46-33(26)23-10-16(44-5)14-41-23)24-12-19(35)31(43-24)32-22(40-4)13-21(42-32)28-25(45-6)7-8-36(28)2/h7-14H,1-6H3


key: InChI
value:
  InChI=1S/C33H23F2NO3S3Se2/c1-14-8-17-18(11-20(14)39-4)29(38)26-25(28(17)37)32(44-33(26)24-10-16(34)13-43-24)23-12-19(35)31(42-23)30-15(2)9-22(41-30)27-21(40-5)6-7-36(27)3/h6-13H,1-5H3


key: InChI
value:
  InChI=1S/C31H21F2NO6SSe2/c1-12-6-14-15(8-17(12)37-3)26(36)22-21(25(14)35)30(43-31(22)20-7-13(32)11-42-20)19-9-16(33)29(41-19)24-27(39-5)28-23(34(24)2)18(38-4)10-40-28/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C30H19F2NO5SSe2/c1-12-7-14-15(9-18(12)36-3)25(35)22-21(24(14)34)29(41-30(22)20-8-13(31)11-40-20)19-10-16(32)28(39-19)23-27(37-4)26-17(33(23)2)5-6-38-26/h5-11H,1-4H3


key: SMILES
value:
  c1(cc(c(c2c1nc(cn2)SC)c1cc2c(o1)c(co2)OC)SC)c1c(c2c(o1)cc(o2)c1sc2c(c(c3c(c2c2cc(c(cc2)OC)C)cc(n3C)c2c(c3c(cc(c4c(cc(c5c4ncc(n5)SC)c4c(c5c(o4)cc(o5)c4sc5c(c(c6c(c5c5cc(c(cc5)OC)C)ccn6C)c5cc(c(c(c5)F)OC)F)c4SC)SC)SC)o3)o2)OC)c2cc(c(c(c2)F)OC)F)c1SC)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(cc(c2c1cc2c(o1)c(c(o2)c1cc2c(n1C)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)sc(c1SC)c1oc2c(c1)oc(c2SC)c1cc(SC)c(c2c1nc(SC)cn2)c1cc2c(o1)c(co2)OC)OC)SC)c1oc2c(c1SC)oc(c2)c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)ccn1C	


key: InChI
value:
  InChI=1S/C102H76F4N6O14S10/c1-41-25-43(19-21-56(41)113-5)71-47-23-24-111(3)83(47)73(45-27-51(103)87(116-8)52(104)28-45)77-97(71)135-95(99(77)131-15)64-36-62-92(125-64)102(134-18)86(122-62)50-33-68(128-12)76(82-80(50)110-70(130-14)39-108-82)59-35-61-91(121-59)94(118-10)89(124-61)55-31-48-72(44-20-22-57(114-6)42(2)26-44)98-78(74(84(48)112(55)4)46-29-53(105)88(117-9)54(106)30-46)100(132-16)96(136-98)65-37-63-93(126-65)101(133-17)85(123-63)49-32-67(127-11)75(81-79(49)109-69(129-13)38-107-81)58-34-60-90(120-58)66(115-7)40-119-60/h19-40H,1-18H3


key: InChI
value:
  InChI=1S/C31H21F2NO4S2Se2/c1-12-6-15-16(8-18(12)37-4)26(36)22-21(25(15)35)30(42-31(22)20-7-14(32)11-41-20)19-9-17(33)28(40-19)24-27(38-5)29-23(34(24)3)13(2)10-39-29/h6-11H,1-5H3


key: SMILES
value:
  c1(c2c(c([se]1)c1cc(c[se]1)F)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(s1)c1c(cc(c2c(cc(n2C)c2c(cc(c3c4c(c([se]3)c3cc(c(s3)c3c(cc(c5c(ccn5C)SC)s3)C)F)C(=O)c3c(C4=O)cc(c(c3)C)OC)[se]2)F)SC)s1)C)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C66H44F4N2O6S6Se4/c1-25-13-30-32(18-38(25)77-7)56(75)50-48(54(30)73)63(87-65(50)46-17-29(67)24-85-46)44-20-35(69)61(83-44)59-28(4)16-43(82-59)53-41(80-10)23-37(72(53)6)62-36(70)22-47(86-62)66-51-49(55(74)31-14-26(2)39(78-8)19-33(31)57(51)76)64(88-66)45-21-34(68)60(84-45)58-27(3)15-42(81-58)52-40(79-9)11-12-71(52)5/h11-24H,1-10H3


key: InChI
value:
  InChI=1S/C32H21FO5S2Se3/c1-14-10-20(38-28(14)29-21(39-4)7-8-40-29)30-19(37-3)13-23(42-30)32-25-24(31(43-32)22-6-5-9-41-22)26(34)15-11-17(33)18(36-2)12-16(15)27(25)35/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C31H22FNO7Se3/c1-33-23-18(38-4)12-40-28(23)27(39-5)24(33)29-17(37-3)11-20(42-29)31-22-21(30(43-31)19-7-6-8-41-19)25(34)13-9-15(32)16(36-2)10-14(13)26(22)35/h6-12H,1-5H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)F)c1c(c(cs1)F)OC)SC)SC)c1c(c(c(n1C)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(c(s3)c2c(c(c(c3c(c(c(c4c3nc(c(n4)F)C)c3c(c(c(n3C)c3oc4c(c(c5c(c4c4cc(c(c(c4)C)F)F)c(cs5)OC)c4ccc(cc4)C)c3C)F)F)SC)SC)s2)OC)F)OC)c2ccc(cc2)C)c1C)F)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C94H68F12N6O6S8/c1-33-19-23-41(24-20-33)53-49-37(5)76(117-79(49)51(55-48(113-11)32-124-83(53)55)43-27-35(3)61(98)45(95)29-43)74-65(102)64(101)73(112(74)10)58-69-71(108-40(8)94(106)110-69)60(90(122-18)88(58)120-16)86-82(116-14)67(104)91(126-86)92-81(115-13)56-52(44-28-36(4)62(99)46(96)30-44)80-50(54(84(56)125-92)42-25-21-34(2)22-26-42)38(6)77(118-80)75-66(103)63(100)72(111(75)9)57-68-70(107-39(7)93(105)109-68)59(89(121-17)87(57)119-15)85-78(114-12)47(97)31-123-85/h19-32H,1-18H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C126H102F8N12O6S12/c1-51-33-52(2)36-61(35-51)99-97(59-29-27-55(5)73(39-59)147-17)135-101-85(110-95(129)120-109(145(110)15)84(155-23)50-160-120)57(7)113(156-24)91(103(101)137-99)79-47-72-118(161-79)94(128)108(142(72)12)70-42-65-90(76-49-78(150-20)126(134)152-76)116-66(88(106(65)140(70)10)68-45-83(154-22)124(132)144(68)14)43-81(163-116)119-122(158-26)112-121(164-119)96(130)111(146(112)16)86-58(8)114(157-25)92(104-102(86)136-98(60-30-28-56(6)74(40-60)148-18)100(138-104)62-37-53(3)34-54(4)38-62)80-46-71-117(162-80)93(127)107(141(71)11)69-41-64-89(75-48-77(149-19)125(133)151-75)115-63(31-32-159-115)87(105(64)139(69)9)67-44-82(153-21)123(131)143(67)13/h27-50H,1-26H3


key: SMILES
value:
  c1(c2c(c([se]1)c1ccc[se]1)C(=O)c1c(C2=O)cc(c(c1)F)OC)c1cc(c([se]1)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1)OC	


key: InChI
value:
  InChI=1S/C48H32F2O5S3Se3/c1-21-10-23(13-26(11-21)53-3)38-30-18-34(58-44(30)39(37-22(2)20-57-45(37)38)24-12-25(49)15-27(14-24)56-6)46-33(55-5)19-36(60-46)48-41-40(47(61-48)35-8-7-9-59-35)42(51)28-16-31(50)32(54-4)17-29(28)43(41)52/h7-20H,1-6H3


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)c1[se]c(cc1OC)c1[se]c(c2c1C(=O)c1cc(OC)c(cc1C2=O)F)c1ccc[se]1	


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(c(cn2C)SC)n1C)SC)C)F)c1c(c2c(s1)c(c(o2)c1c(c2c(c3c(cc2n1C)c(c(s3)c1c(c2c(c(c(c3c(c(c(c4c3nn(n4)C)c3c(c4c(s3)c(c(o4)c3c(c4c(c5c(cc4n3C)c(cs5)F)SC)SC)C)SC)F)C)n2C)SC)n1C)SC)F)SC)SC)C)SC	


key: CAN_SMILES
value:
  CSc1c(c2sc3c(c2F)cc2c(c3SC)c(SC)c(n2C)c2oc3c(c2C)sc(c3SC)c2c(F)c(C)c(c3c2nn(n3)C)c2n(C)c3c(c2SC)n(cc3SC)C)n(c2c1n(C)c(c2SC)c1c(C)c(F)c(c2c1nn(n2)C)c1sc2c(c1SC)oc(c2C)c1c(SC)c2c(n1C)cc1c(c2SC)scc1F)C	


key: InChI
value:
  InChI=1S/C78H70F4N12O2S14/c1-27-37(51-74(102-18)53-50(90(51)8)36(97-13)25-87(53)5)46-48(85-93(11)83-46)41(43(27)80)71-78(106-22)62-64(109-71)30(4)60(96-62)57-68(99-15)40-35(89(57)7)24-32-45(82)73(110-66(32)70(40)101-17)58-76(104-20)55-54(92(58)10)75(103-19)52(91(55)9)38-28(2)44(81)42(49-47(38)84-94(12)86-49)72-77(105-21)61-63(108-72)29(3)59(95-61)56-67(98-14)39-34(88(56)6)23-31-33(79)26-107-65(31)69(39)100-16/h23-26H,1-22H3


key: InChI
value:
  InChI=1S/C32H25F2N3S3/c1-18-28(39-4)16-24-32(29(18)27-13-12-26(40-27)25-15-21(38-3)17-37(25)2)36-30(19-8-6-5-7-9-19)31(35-24)20-10-11-22(33)23(34)14-20/h5-17H,1-4H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(co1)SC)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1c(cc(c2c(cc(n2C)c2c(cc(c3c4c(c(s3)c3cc(c(o3)c3c(cc(c5c(ccn5C)SC)o3)OC)F)C(=O)c3c(C4=O)cc(c(c3)C)OC)o2)SC)SC)o1)OC)F	


key: CAN_SMILES
value:
  CSc1coc(c1)c1sc(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1oc(c(c1)F)c1oc(cc1OC)c1c(SC)cc(n1C)c1oc(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1oc(cc1OC)c1n(C)ccc1SC)F	


key: InChI
value:
  InChI=1S/C68H50F2N2O14S6/c1-27-15-30-32(18-37(27)77-5)58(75)50-51(56(30)73)66(91-65(50)43-17-29(87-9)26-81-43)44-20-35(70)61(84-44)64-42(80-8)24-40(83-64)55-48(89-11)22-36(72(55)4)62-49(90-12)25-46(86-62)68-53-52(57(74)31-16-28(2)38(78-6)19-33(31)59(53)76)67(92-68)45-21-34(69)60(85-45)63-41(79-7)23-39(82-63)54-47(88-10)13-14-71(54)3/h13-26H,1-12H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(co1)SC)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1oc2c3[se]c(cc3[SiH2]c2c1)c1c(cc(c2c3c(c(s2)c2cc(c(o2)c2oc4c5[se]ccc5[SiH2]c4c2)F)C(=O)c2c(C3=O)cc(c(c2)C)OC)o1)SC)F	


key: CAN_SMILES
value:
  CSc1coc(c1)c1sc(c2c1C(=O)c1cc(OC)c(cc1C2=O)C)c1cc(c(o1)c1cc2c(o1)c1c([SiH2]2)cc([se]1)c1oc(cc1SC)c1sc(c2c1C(=O)c1cc(OC)c(cc1C2=O)C)c1cc(c(o1)c1oc2c(c1)[SiH2]c1c2[se]cc1)F)F	


key: InChI
value:
  InChI=1S/C62H36F2O12S4Se2Si2/c1-21-9-24-26(12-30(21)69-3)50(67)44-45(48(24)65)58(79-57(44)34-11-23(77-5)20-71-34)35-14-29(64)53(74-35)33-18-42-56(73-33)62-43(84-42)19-39(82-62)54-38(78-6)16-37(76-54)60-47-46(49(66)25-10-22(2)31(70-4)13-27(25)51(47)68)59(80-60)36-15-28(63)52(75-36)32-17-41-55(72-32)61-40(83-41)7-8-81-61/h7-20H,83-84H2,1-6H3


key: InChI
value:
  InChI=1S/C31H33FN6O3/c1-16-12-20(28-29(40-9)17(2)14-36(28)5)26-27(34-38(7)33-26)24(16)30-18(3)25(32)31(41-30)22-11-10-21(37(22)6)23-13-19(39-8)15-35(23)4/h10-15H,1-9H3


key: InChI
value:
  InChI=1S/C26H18F2N4O2S3Se/c1-10-22(37-25(23(10)35-3)16-8-15-21(33-16)26-14(29-15)5-6-38-26)17-12(27)7-11(18-19(17)31-34-30-18)20-24(36-4)13(28)9-32(20)2/h5-9,29H,1-4H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1cc(cc(c1OC)C)c1nc2c(nc1c1cc(F)c(c(c1)F)OC)c(c1sc3c(c1OC)n(c(c3SC)c1sc3c(c1F)scc3F)C)c(c(c2c1c(OC)c2c(n1C)c(c(s2)c1sc2c(c1F)sc(c2F)c1c(SC)c2c(n1C)c(c(s2)c1c(OC)c(SC)c(c2c1nc(c1cc(F)c(c(c1)F)OC)c(n2)c1cc(C)c(c(c1)SC)OC)c1c(OC)c2c(n1C)c(cs2)F)OC)F)SC)OC	


key: InChI
value:
  InChI=1S/C98H76F10N8O10S14/c1-33-23-35(29-45(127-17)71(33)117-7)55-57(37-25-39(99)73(119-9)40(100)26-37)111-61-49(75(121-11)82(129-19)47(59(61)109-55)64-77(123-13)93-63(113(64)3)43(103)31-134-93)84-80(126-16)68-98(137-84)96(132-22)70(116(68)6)87-53(107)90-92(138-87)54(108)91(139-90)89-51(105)66-94(140-89)78(124-14)65(114(66)4)48-60-62(112-58(38-27-41(101)74(120-10)42(102)28-38)56(110-60)36-24-34(2)72(118-8)46(30-36)128-18)50(76(122-12)83(48)130-20)85-79(125-15)67-97(136-85)95(131-21)69(115(67)5)86-52(106)88-81(135-86)44(104)32-133-88/h23-32H,1-22H3


key: InChI
value:
  InChI=1S/C37H34FN3O3S5/c1-17-10-11-19(12-18(17)2)26-28-25(46-7)16-49-37(28)27(20-13-21(38)35(47-8)23(14-20)42-4)29-32(26)41(3)33(34(29)43-5)30-31-22(39-44-40-31)15-24(45-6)36(30)48-9/h10-16H,1-9H3


key: SMILES
value:
  c1(ccc(c2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1cc(c(c(c1)C)OC)OC)c1cc(cn1C)SC)c1c(c(c(n1C)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(c(s3)c1c(cc(c2ccc(c3c2nc(c(n3)c2cc(c(c(c2)C)OC)OC)c2cc(c(c(c2)F)SC)F)c2c(c(c(n2C)c2c(c3c(c4c(c(c3n2C)c2ccc(s2)SC)c(cs4)SC)c2cc(c(s2)C)F)C)C)C)n1C)SC)SC)c1cc(c(s1)C)F)C)C)C	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)c(sc2c(c2c1n(C)c(c2C)c1c(C)c(c(n1C)c1ccc(c2c1nc(c1cc(C)c(c(c1)OC)OC)c(n2)c1cc(F)c(c(c1)F)SC)c1cc(cn1C)SC)C)c1cc(c(s1)C)F)c1c(SC)cc(n1C)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1n(C)c(c(c1C)C)c1c(C)c2c(n1C)c(c1ccc(s1)SC)c1c(c2c2cc(c(s2)C)F)scc1SC	


key: InChI
value:
  InChI=1S/C120H106F6N10O4S14/c1-51-37-61(43-78(137-17)113(51)139-19)96-98(63-39-72(123)115(146-26)73(124)40-63)127-100-66(76-45-65(141-21)49-131(76)11)29-31-68(102(100)129-96)104-53(3)56(6)107(133(104)13)109-58(8)89-93(83-47-71(122)60(10)151-83)118-95(91(112(89)136(109)16)81-34-36-87(145-25)153-81)119(148-28)120(154-118)110-84(142-22)48-77(132(110)12)67-30-32-69(103-101(67)128-99(64-41-74(125)116(147-27)75(126)42-64)97(130-103)62-38-52(2)114(140-20)79(44-62)138-18)105-54(4)55(5)106(134(105)14)108-57(7)88-92(82-46-70(121)59(9)150-82)117-94(85(143-23)50-149-117)90(111(88)135(108)15)80-33-35-86(144-24)152-80/h29-50H,1-28H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1ccc(c(c1)C)F)c1ccc(c(c1)C)OC)OC)F)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(c(s3)c2c(c(c(c3c2nc(c(n3)c2ccc(c(c2)C)OC)c2ccc(c(c2)C)F)c2sc3c(c(c4c(c3c3cc(cc(c3)F)SC)c(cs4)C)c3cc(cc(c3)C)OC)c2)F)OC)C)c2cc(cc(c2)C)OC)c1	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2sc(c(c2c(c2c1cc(s2)c1c(F)c(OC)cc2c1nc(c1ccc(c(c1)C)OC)c(n2)c1ccc(c(c1)C)F)c1cc(F)cc(c1)SC)C)c1c(OC)c(F)c(c2c1nc(c1ccc(c(c1)C)F)c(n2)c1ccc(c(c1)C)OC)c1cc2c(s1)c(c1cc(F)cc(c1)SC)c1c(c2c2cc(C)cc(c2)OC)scc1C	


key: InChI
value:
  InChI=1S/C100H76F6N4O6S6/c1-45-25-57(35-63(27-45)111-9)79-67-41-76(121-97(67)81(77-51(7)44-119-99(77)79)59-33-61(101)39-65(37-59)117-15)84-87(106)95(116-14)85(94-93(84)109-91(56-20-24-73(114-12)50(6)32-56)90(110-94)54-18-22-70(104)48(4)30-54)96-52(8)78-82(60-34-62(102)40-66(38-60)118-16)98-68(80(100(78)122-96)58-26-46(2)28-64(36-58)112-10)42-75(120-98)83-86(105)74(115-13)43-71-92(83)108-89(55-19-23-72(113-11)49(5)31-55)88(107-71)53-17-21-69(103)47(3)29-53/h17-44H,1-16H3


key: InChI
value:
  InChI=1S/C28H23F2N3O5S4/c1-33-31-19-12(26-27(40-6)14(30)11-42-26)9-13(29)18(20(19)32-33)23-25(36-4)24(35-3)21(38-23)16-10-15(34-2)22(37-16)28-17(39-5)7-8-41-28/h7-11H,1-6H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)SC)C(=O)c1c([se]c(c1C2=O)OC)C)c1cc(c(o1)c1cc2c(c3c(c(c(o3)c3c(cc(c4c5c(c(o4)c4cc(c(o4)c4cc6c(c7c(c(co7)C)o6)n4C)F)C(=O)c4c(C5=O)c([se]c4OC)C)s3)SC)C)o2)n1C)F	


key: CAN_SMILES
value:
  CSc1cc(sc1c1oc2c(c1C)oc1c2n(C)c(c1)c1oc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)c([se]c1OC)C)c1scc(c1)SC)c1oc(c2c1C(=O)c1c(C2=O)c([se]c1C)OC)c1cc(c(o1)c1cc2c(n1C)c1c(o2)c(co1)C)F	


key: InChI
value:
  InChI=1S/C62H38F2N2O14S4Se2/c1-19-17-73-58-43-28(74-49(19)58)14-26(65(43)5)52-24(63)13-31(77-52)55-38-40(46(68)36-22(4)86-62(72-8)42(36)48(38)70)57(80-55)33-16-34(82-10)60(84-33)51-20(2)50-59(78-51)44-29(75-50)15-27(66(44)6)53-25(64)12-30(76-53)54-37-39(56(79-54)32-11-23(81-9)18-83-32)45(67)35-21(3)85-61(71-7)41(35)47(37)69/h11-18H,1-10H3


key: InChI
value:
  InChI=1S/C26H22F2N4O5S2/c1-31-14-7-8-36-19(14)21(33-3)18(31)22-24(35-5)23(34-4)20(37-22)15-12(27)9-11(16-17(15)30-32(2)29-16)25-26(38-6)13(28)10-39-25/h7-10H,1-6H3


key: InChI
value:
  InChI=1S/C26H19F2GeN3O3S3Se/c1-32-30-17-10(23-24(36-4)12(28)9-37-23)7-11(27)16(18(17)31-32)20-22(34-3)21(33-2)19(35-20)15-8-14-25(38-15)26-13(29-14)5-6-39-26/h5-9H,29H2,1-4H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(cc1)F)F)c1ccccc1)SC)C)c1oc2c3sc(cc3[nH]c2c1)c1c(c(c(c2c1nc(c(n2)c1ccccc1)c1cc(c(cc1)F)F)c1oc2c3sccc3[nH]c2c1)C)SC	


key: CAN_SMILES
value:
  CSc1cc2nc(c3ccc(c(c3)F)F)c(nc2c(c1C)c1oc2c(c1)[nH]c1c2sc(c1)c1c(SC)c(C)c(c2c1nc(c1ccc(c(c1)F)F)c(n2)c1ccccc1)c1oc2c(c1)[nH]c1c2scc1)c1ccccc1	


key: InChI
value:
  InChI=1S/C60H36F4N6O2S4/c1-27-44(73-3)25-38-53(68-49(29-11-7-5-8-12-29)51(67-38)31-15-17-33(61)35(63)21-31)46(27)42-24-40-57(72-42)60-41(66-40)26-45(76-60)48-55-54(47(28(2)58(48)74-4)43-23-39-56(71-43)59-37(65-39)19-20-75-59)69-50(30-13-9-6-10-14-30)52(70-55)32-16-18-34(62)36(64)22-32/h5-26,65-66H,1-4H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(cc1)F)F)c1ccccc1)SC)C)c1oc2c3sc(cc3[GeH2]c2c1)c1c(c(c(c2c1nc(c(n2)c1ccccc1)c1cc(c(cc1)F)F)c1oc2c3sccc3[GeH2]c2c1)C)SC	


key: CAN_SMILES
value:
  CSc1cc2nc(c3ccc(c(c3)F)F)c(nc2c(c1C)c1oc2c(c1)[GeH2]c1c2sc(c1)c1c(SC)c(C)c(c2c1nc(c1ccc(c(c1)F)F)c(n2)c1ccccc1)c1oc2c(c1)[GeH2]c1c2scc1)c1ccccc1	


key: InChI
value:
  InChI=1S/C60H38F4Ge2N4O2S4/c1-27-44(73-3)26-41-53(68-49(29-11-7-5-8-12-29)51(67-41)31-15-17-33(61)35(63)21-31)46(27)42-24-39-57(72-42)60-40(66-39)25-45(76-60)48-55-54(47(28(2)58(48)74-4)43-23-38-56(71-43)59-37(65-38)19-20-75-59)69-50(30-13-9-6-10-14-30)52(70-55)32-16-18-34(62)36(64)22-32/h5-26H,65-66H2,1-4H3


key: SMILES
value:
  c1(cc(c(c2c1nc(cn2)SC)c1cc2c(o1)c(co2)OC)SC)c1c(c2c(o1)cc(o2)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)cc(s3)c2c(c3c(cc(c4c(cc(c5c4ncc(n5)SC)c4c(c5c(o4)cc(o5)c4oc5c(c(c6c(c5c5cc(c(o5)C)SC)ccs6)c5cc(c(F)n5C)OC)c4OC)SC)SC)o3)o2)OC)c2cc(c(F)n2C)OC)c1OC)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(cc(c2c1cc2c(o1)c(c(o2)c1cc2c(s1)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)oc(c1OC)c1oc2c(c1)oc(c2SC)c1cc(SC)c(c2c1nc(SC)cn2)c1cc2c(o1)c(co2)OC)OC)SC)c1oc2c(c1SC)oc(c2)c1oc2c(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)ccs1	


key: InChI
value:
  InChI=1S/C94H70F2N6O18S10/c1-35-56(121-11)30-45(110-35)63-37-19-20-129-89(37)65(41-24-53(103-5)93(95)101(41)3)69-84(63)119-78(86(69)106-8)49-28-51-81(116-49)92(128-18)76(114-51)40-23-59(124-14)68(74-72(40)100-62(126-16)33-98-74)44-27-48-80(113-44)88(108-10)83(118-48)60-21-38-64(46-31-57(122-12)36(2)111-46)85-70(66(90(38)130-60)42-25-54(104-6)94(96)102(42)4)87(107-9)79(120-85)50-29-52-82(117-50)91(127-17)75(115-52)39-22-58(123-13)67(73-71(39)99-61(125-15)32-97-73)43-26-47-77(112-43)55(105-7)34-109-47/h19-34H,1-18H3


key: SMILES
value:
  c1(ccc(c2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1cc(c(c(c1)C)OC)OC)c1cc(cn1C)SC)c1c(c(c(n1C)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(c(s3)c1c(cc(c2ccc(c3c2nc(c(n3)c2cc(c(c(c2)C)OC)OC)c2cc(c(c(c2)F)SC)F)c2c(c(c(n2C)c2c(c3c(c4c(c(c3n2C)c2cc(c(cc2)C)C)c(cs4)SC)c2cc(c(c(c2)F)SC)OC)OC)C)C)n1C)SC)SC)c1cc(c(c(c1)F)SC)OC)OC)C)C	


key: CAN_SMILES
value:
  CSc1cc(n(c1)C)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1n(C)c(c(c1C)C)c1n(C)c2c(c1OC)c(c1cc(F)c(c(c1)OC)SC)c1c(c2c2ccc(c(c2)C)C)c(SC)c(s1)c1c(SC)cc(n1C)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1c(C)c(c(n1C)c1n(C)c2c(c1OC)c(c1cc(F)c(c(c1)OC)SC)c1c(c2c2ccc(c(c2)C)C)c(SC)cs1)C	


key: Name
value:
  A7-F_SCH3_F_CH3_OCH3_OCH3_SCH3_H_H_H_CH3_CH3-NCH3_NCH3-D10-H_CH3_CH3_OCH3_F_SCH3_OCH3_SCH3-NCH3_S-p2


key: InChI
value:
  InChI=1S/C132H122F6N10O8S10/c1-59-33-35-69(41-61(59)3)96-100-95(159-27)58-165-129(100)98(71-45-86(137)127(162-30)92(51-71)151-19)101-117(96)147(15)119(123(101)155-23)114-67(9)66(8)113(146(114)14)81-40-38-79(109-111(81)142-105(74-44-64(6)122(154-22)91(54-74)150-18)107(140-109)76-49-84(135)126(161-29)85(136)50-76)89-56-94(158-26)116(144(89)12)132-131(164-32)103-97(70-36-34-60(2)62(4)42-70)118-102(99(130(103)166-132)72-46-87(138)128(163-31)93(52-72)152-20)124(156-24)120(148(118)16)115-68(10)65(7)112(145(115)13)80-39-37-78(88-55-77(157-25)57-143(88)11)108-110(80)141-104(73-43-63(5)121(153-21)90(53-73)149-17)106(139-108)75-47-82(133)125(160-28)83(134)48-75/h33-58H,1-32H3


key: InChI
value:
  InChI=1S/C33H31F2N3O4S3/c1-14-13-41-30(31(14)44-9)22-25-24(37-33(40-7)17(4)36-25)21(15(2)27(22)39-6)28-16(3)23(35)29(42-28)19-12-20(43-8)32(45-19)26-18(34)10-11-38(26)5/h10-13H,1-9H3


key: InChI
value:
  InChI=1S/C33H32FN3O6S/c1-15-14-41-31(32(15)44-9)24-27-26(36-33(40-8)18(4)35-27)23(16(2)28(24)39-7)29-17(3)25(34)30(43-29)22-11-10-21(42-22)20-12-19(38-6)13-37(20)5/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C32H32FN3O7S/c1-13-11-41-27(31(13)44-10)19-22-21(35-32(40-9)16(4)34-22)18(14(2)25(19)38-7)26-15(3)20(33)28(43-26)24-29(39-8)30-23(36(24)5)17(37-6)12-42-30/h11-12H,1-10H3


key: SMILES
value:
  c1(c(ccc2nn(nc12)C)C)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(c(s3)c1cc(c(c2c1nn(n2)C)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC)C)SC)c1cc(c(c(c1)F)SC)OC)OC	


key: CAN_SMILES
value:
  COc1cc(cc(c1SC)F)c1c2sc(c(c2c(c2c1c(OC)c(n2C)c1c(C)ccc2c1nn(n2)C)c1ccc(c(c1)C)C)SC)c1cc(C)c(c2c1nn(n2)C)c1c(OC)c2c(n1C)c(c1ccc(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)OC)SC)scc1SC	


key: InChI
value:
  InChI=1S/C74H68F2N8O4S6/c1-33-19-22-39(25-36(33)4)52-56-49(89-15)32-93-72(56)54(41-28-44(75)70(90-16)47(30-41)85-11)57-63(52)81(7)66(67(57)87-13)51-38(6)27-43(60-62(51)80-84(10)78-60)69-74(92-18)59-53(40-23-20-34(2)37(5)26-40)64-58(55(73(59)94-69)42-29-45(76)71(91-17)48(31-42)86-12)68(88-14)65(82(64)8)50-35(3)21-24-46-61(50)79-83(9)77-46/h19-32H,1-18H3


key: InChI
value:
  InChI=1S/C30H17FGeO6S2Se/c1-35-13-3-4-14-15(8-13)25(34)23-22(24(14)33)26(18-7-12(31)11-37-18)38-27(23)20-10-19(36-2)29(39-20)21-9-17-28(40-21)30-16(32-17)5-6-41-30/h3-11H,32H2,1-2H3


key: InChI
value:
  InChI=1S/C26H17F4N3O3S4/c1-33-6-5-10(27)21(33)24-15(37-3)8-14(40-24)13-7-11(28)22(35-13)16-18(30)25(38-4)17(20-19(16)31-36-32-20)26-23(34-2)12(29)9-39-26/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H17FO4S5/c1-12-7-17(16-5-4-6-33-16)38-28(12)29-20(35-3)9-19(39-29)27-22-23(26(34-27)18-8-14(30)10-37-18)25(32)21-13(2)36-11-15(21)24(22)31/h4-11H,1-3H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1sc2c(c(c3c(c2c2ccc(s2)F)c(cs3)SC)c2cc(c(s2)OC)C)c1)C)C	


key: InChI
value:
  InChI=1S/C45H33F2N3O5S7/c1-16-12-23(61-45(16)52-7)28-20-13-24(60-43(20)29(22-10-11-26(47)59-22)30-25(56-8)15-58-44(28)30)34-18(3)37-35(50(34)5)19(4)36(54-37)31-33-32(48-62-49-33)27(17(2)42(31)57-9)39-40(51-6)41-38(55-39)21(46)14-53-41/h10-15H,1-9H3


key: CAN_SMILES
value:
  COc1sc(cc1C)c1c2cc(sc2c(c2c1scc2SC)c1ccc(s1)F)c1c(C)c2c(n1C)c(c(o2)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)C	


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)F)C)c1c(c(cs1)SC)F)SC)C)c1c(c(c(n1C)c1sc2c(c(c3c(c2OC)c(c(n3C)c2c(c(c(c3c(c(c(c4c3nc(c(n4)C)F)c3c(c(c(n3C)c3sc4c(c(c5c(c4OC)c(cn5C)C)OC)c3C)OC)C)C)SC)s2)F)SC)C)OC)c1C)OC)C	


key: CAN_SMILES
value:
  CSc1csc(c1F)c1c(SC)c(C)c(c2c1nc(F)c(n2)C)c1n(C)c(c(c1C)OC)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)c(n1C)c1sc(c(c1SC)F)c1c(SC)c(C)c(c2c1nc(F)c(n2)C)c1n(C)c(c(c1C)OC)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cn1C	


key: InChI
value:
  InChI=1S/C76H74F4N8O6S8/c1-27-25-85(11)55-38(27)63(93-19)71-42(61(55)91-17)31(5)67(100-71)57-59(89-15)34(8)53(87(57)13)40-30(4)66(97-23)45(51-49(40)82-36(10)76(80)84-51)70-47(78)73(98-24)74(102-70)54-28(2)41-56(88(54)14)62(92-18)43-32(6)68(101-72(43)64(41)94-20)58-60(90-16)33(7)52(86(58)12)39-29(3)65(96-22)44(69-46(77)37(95-21)26-99-69)50-48(39)81-35(9)75(79)83-50/h25-26H,1-24H3


key: InChI
value:
  InChI=1S/C36H36FN7O3S3/c1-17-28-33(47-31(17)20-12-11-19(41(20)3)22-15-18(45-7)16-40(22)2)25(37)29(43(28)5)23-26-27(39-44(6)38-26)24(35(48-9)32(23)46-8)30-36(49-10)34-21(42(30)4)13-14-50-34/h11-16H,1-10H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(co1)SC)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1ccc(c2c(cc(o2)c2c(cc(c3c4c(c(s3)c3cc(c(o3)c3ccc(c5c(cco5)OC)s3)F)C(=O)c3c(C4=O)cc(c(c3)C)OC)o2)SC)OC)s1)F	


key: CAN_SMILES
value:
  CSc1coc(c1)c1sc(c2c1C(=O)c1cc(OC)c(cc1C2=O)C)c1cc(c(o1)c1ccc(s1)c1oc(cc1OC)c1oc(cc1SC)c1sc(c2c1C(=O)c1cc(OC)c(cc1C2=O)C)c1cc(c(o1)c1ccc(s1)c1occc1OC)F)F	


key: InChI
value:
  InChI=1S/C64H40F2O14S6/c1-25-15-28-30(18-35(25)72-4)54(69)48-49(52(28)67)62(85-61(48)39-17-27(81-7)24-76-39)40-20-33(66)57(78-40)44-10-12-46(84-44)59-37(74-6)22-38(77-59)60-47(82-8)23-42(80-60)64-51-50(53(68)29-16-26(2)36(73-5)19-31(29)55(51)70)63(86-64)41-21-32(65)56(79-41)43-9-11-45(83-43)58-34(71-3)13-14-75-58/h9-24H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)F)c1c(c(cs1)F)OC)SC)SC)c1c(c(c(n1C)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(c(s3)c1c(c(c(c2c(c(c(c3c2nc(c(n3)F)C)c2c(c(c(n2C)c2c(c3c(c4c(c(c3n2C)c2ccc(s2)SC)c(cs4)SC)c2cc(c(s2)C)F)C)F)F)SC)SC)s1)OC)F)SC)c1cc(c(s1)C)F)C)F)F	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)c(sc2c(c2c1n(C)c(c2C)c1n(C)c(c(c1F)F)c1c(SC)c(SC)c(c2c1nc(F)c(n2)C)c1scc(c1OC)F)c1sc(c(c1)F)C)c1sc(c(c1F)OC)c1c(SC)c(SC)c(c2c1nc(C)c(n2)F)c1c(F)c(c(n1C)c1n(C)c2c(c1C)c(c1sc(c(c1)F)C)c1c(c2c2ccc(s2)SC)c(SC)cs1)F	


key: InChI
value:
  InChI=1S/C88H68F10N8O2S16/c1-29-45-49(40-25-35(89)33(5)119-40)76-51(42(109-13)28-118-76)47(38-21-23-43(110-14)121-38)68(45)103(7)66(29)72-59(94)58(93)71(106(72)10)54-63-65(100-32(4)88(98)102-63)56(84(116-20)82(54)114-18)79-75(108-12)61(96)85(124-79)86-80(112-16)52-48(39-22-24-44(111-15)122-39)69-46(50(77(52)123-86)41-26-36(90)34(6)120-41)30(2)67(104(69)8)73-60(95)57(92)70(105(73)9)53-62-64(99-31(3)87(97)101-62)55(83(115-19)81(53)113-17)78-74(107-11)37(91)27-117-78/h21-28H,1-20H3


key: SMILES
value:
  c1(cc(c(c2nn(nc12)C)c1c(c2c(c(cn2C)OC)n1C)SC)F)c1c(c2c(o1)c(c(n2C)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(c(s3)c2c(c3c(c(c(c4c(cc(c5c4nn(n5)C)c4c(c5c(o4)c(c(n5C)c4oc5c(c(c6c(c5c5cc(c(c(c5)C)F)F)c(cs6)OC)c5ccc(cc5)C)c4C)F)SC)F)n3C)SC)n2C)OC)OC)c2ccc(cc2)C)c1C)F)SC	


key: CAN_SMILES
value:
  COc1c(c2sc3c(c2OC)c(c2cc(C)c(c(c2)F)F)c2c(c3c3ccc(cc3)C)c(C)c(o2)c2n(C)c3c(c2F)oc(c3SC)c2cc(F)c(c3c2nn(n3)C)c2c(SC)c3c(n2C)c(cn3C)OC)n(c2c1n(C)c(c2SC)c1c(F)cc(c2c1nn(n2)C)c1oc2c(c1SC)n(c(c2F)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1)C)C	


key: InChI
value:
  InChI=1S/C102H82F8N12O8S6/c1-39-23-27-45(28-24-39)61-57-43(5)86(127-90(57)59(65-56(124-16)38-135-96(61)65)47-31-41(3)67(107)53(105)33-47)78-69(109)93-83(118(78)10)100(133-21)89(130-93)50-36-52(104)64(74-72(50)112-122(14)114-74)77-99(132-20)82-80(117(77)9)95(126-18)85(120(82)12)102-92(125-17)66-60(48-32-42(4)68(108)54(106)34-48)91-58(62(97(66)136-102)46-29-25-40(2)26-30-46)44(6)87(128-91)79-70(110)94-84(119(79)11)101(134-22)88(129-94)49-35-51(103)63(73-71(49)111-121(13)113-73)76-98(131-19)81-75(116(76)8)55(123-15)37-115(81)7/h23-38H,1-22H3


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C44H32F4N4O2S3/c1-21-33(55-5)18-28-40(50-38(22-10-8-7-9-11-22)39(49-28)23-12-13-26(45)27(46)16-23)35(21)29-17-25-37(31-20-32(53-4)44(48)54-31)42-24(14-15-57-42)36(41(25)51(29)2)30-19-34(56-6)43(47)52(30)3/h7-20H,1-6H3


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C26H16F3N3O5S2/c1-9-7-34-24-20-14(36-21(9)24)6-12(32(20)2)13-5-10(27)22(35-13)15-17(29)25(38-4)16(19-18(15)30-37-31-19)26-23(33-3)11(28)8-39-26/h5-8H,1-4H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(cc1)F)F)c1ccccc1)SC)C)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)cc(s3)c1c(c(c(c2c1nc(c(n2)c1ccccc1)c1cc(c(cc1)F)F)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)ccs3)c1cc(c(o1)F)OC)C)SC)c1cc(c(o1)F)OC	


key: CAN_SMILES
value:
  COc1cc(oc1F)c1c2sc(cc2c(c2c1cc(n2C)c1c(C)c(SC)cc2c1nc(c1ccccc1)c(n2)c1ccc(c(c1)F)F)c1cc(c(n1C)F)SC)c1c(SC)c(C)c(c2c1nc(c1ccc(c(c1)F)F)c(n2)c1ccccc1)c1cc2c(n1C)c(c1c(c2c2oc(c(c2)OC)F)scc1)c1cc(c(n1C)F)SC	


key: InChI
value:
  InChI=1S/C88H62F8N8O4S6/c1-39-62(109-9)34-53-77(98-73(41-19-15-13-16-20-41)75(97-53)43-23-25-49(89)51(91)29-43)66(39)54-32-47-71(59-38-61(106-8)88(96)108-59)84-48(69(81(47)101(54)3)57-36-65(111-11)86(94)104(57)6)33-63(114-84)72-79-78(99-74(42-21-17-14-18-22-42)76(100-79)44-24-26-50(90)52(92)30-44)67(40(2)82(72)112-12)55-31-46-70(58-37-60(105-7)87(95)107-58)83-45(27-28-113-83)68(80(46)102(55)4)56-35-64(110-10)85(93)103(56)5/h13-38H,1-12H3


key: SMILES
value:
  [C]1([C](Sc2cc(c(o2)c2sc3c(c(c4c(c3c3cc(cc(c3)F)SC)c(cs4)C)c3cc(cc(c3)C)OC)c2)F)c2cc(co2)SC)C(=O)c2c(C1=O)cc(c(c2)OC)C	


key: InChI
value:
  InChI=1S/C47H34F2O6S5/c1-21-8-24(12-27(9-21)52-4)39-32-17-36(59-45(32)40(38-23(3)20-58-47(38)39)25-11-26(48)14-28(13-25)56-6)44-33(49)18-37(55-44)60-46(35-15-29(57-7)19-54-35)41-42(50)30-10-22(2)34(53-5)16-31(30)43(41)51/h8-20H,1-7H3/b46-41+


key: CAN_SMILES
value:
  CSc1coc(c1)[C]([C]1C(=O)c2c(C1=O)cc(c(c2)C)OC)Sc1cc(c(o1)c1cc2c(s1)c(c1cc(F)cc(c1)SC)c1c(c2c2cc(C)cc(c2)OC)scc1C)F	


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)OC)c1c(c(co1)C)SC)OC)C)c1c(c(c(o1)c1sc2c3[se]c(cc3[GeH2]c2c1)c1c(c(c(c2c(c(c(c3c2nc(c(n3)OC)C)c2c(c(c(o2)c2sc3c4[se]ccc4[GeH2]c3c2)F)C)C)OC)o1)SC)C)F)C	


key: CAN_SMILES
value:
  CSc1c(C)c(oc1c1c(OC)c(C)c(c2c1nc(C)c(n2)OC)c1oc(c(c1C)F)c1cc2c(s1)c1c([GeH2]2)cc[se]1)c1cc2c([se]1)c1c([GeH2]2)cc(s1)c1oc(c(c1F)C)c1c(C)c(OC)c(c2c1nc(OC)c(n2)C)c1occ(c1SC)C	


key: InChI
value:
  InChI=1S/C62H52F2Ge2N4O8S4Se2/c1-21-20-75-53(55(21)79-13)38-44-42(69-61(73-11)27(7)67-44)36(22(2)47(38)71-9)49-25(5)41(64)52(78-49)34-18-31-58(82-34)60-32(66-31)19-35(84-60)46-26(6)56(80-14)54(76-46)39-45-43(70-62(74-12)28(8)68-45)37(23(3)48(39)72-10)50-24(4)40(63)51(77-50)33-17-30-57(81-33)59-29(65-30)15-16-83-59/h15-20H,65-66H2,1-14H3


key: InChI
value:
  InChI=1S/C33H28FN5O2S4SeSi/c1-13-23-28(41-26(13)15-12-17-33(46-15)30-16(47-17)9-11-45-30)20(34)24(38(23)3)18-21-22(36-39(4)35-21)19(31(42-6)27(18)40-5)25-32(43-7)29-14(37(25)2)8-10-44-29/h8-12H,47H2,1-7H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1c(cc(c2cccs2)o1)C)OC)F	


key: InChI
value:
  InChI=1S/C43H33F4N3O3S5/c1-20-17-25(26-9-8-16-58-26)53-40(20)39-42(51-3)33(47)38(50(39)2)29-32(46)43(57-7)30(41-31(45)28(56-6)19-52-41)37-36(29)49-35(22-12-15-24(44)27(18-22)55-5)34(48-37)21-10-13-23(54-4)14-11-21/h8-19H,1-7H3


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3occ(c3F)SC)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)c1oc(cc1C)c1cccs1)OC)F	


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(c(s3)c2ccc(c3c(c(c(c4c3nc(c(n4)c3cc(c(c(c3)F)OC)OC)c3ccc(c(c3)C)F)c3cc(c(s3)c3sc4c(c(c5c(c4c4cc(cc(c4)F)SC)c(cs5)C)c4cc(cc(c4)C)OC)c3)C)SC)OC)n2C)C)c2cc(cc(c2)C)OC)c1)C	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2sc(c(c2c(c2c1cc(s2)c1sc(cc1C)c1c(SC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)OC)OC)c(n2)c1ccc(c(c1)C)F)c1cccn1C)c1cc(F)cc(c1)SC)C)c1ccc(n1C)c1c(OC)c(SC)c(c2c1nc(c1ccc(c(c1)C)F)c(n2)c1cc(F)c(c(c1)OC)OC)c1cc(c(s1)c1cc2c(s1)c(c1cc(F)cc(c1)SC)c1c(c2c2cc(C)cc(c2)OC)scc1C)C	


key: InChI
value:
  InChI=1S/C122H98F6N6O8S10/c1-55-32-65(42-73(34-55)135-11)94-77-52-90(150-117(77)96(92-61(7)54-147-119(92)94)67-40-71(123)50-75(44-67)143-19)114-59(5)39-89(149-114)101-109-107(130-103(64-26-28-80(126)58(4)37-64)105(132-109)70-47-82(128)111(140-16)87(49-70)138-14)99(113(142-18)122(101)146-22)84-29-30-85(134(84)10)116-62(8)93-97(68-41-72(124)51-76(45-68)144-20)118-78(95(120(93)152-116)66-33-56(2)35-74(43-66)136-12)53-91(151-118)115-60(6)38-88(148-115)100-108-106(98(83-24-23-31-133(83)9)112(141-17)121(100)145-21)129-102(63-25-27-79(125)57(3)36-63)104(131-108)69-46-81(127)110(139-15)86(48-69)137-13/h23-54H,1-22H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1oc2c(c(c3c(c2OC)c(co3)C)F)c1F)C	


key: InChI
value:
  InChI=1S/C47H37F4N3O6S2/c1-20-15-23(12-13-25(20)48)36-37(24-17-26(49)40(56-6)28(18-24)55-5)53-39-32(47(61-9)44(58-8)31(38(39)52-36)27-11-10-14-54(27)4)29-16-21(2)46(62-29)45-35(51)33-34(50)41-30(22(3)19-59-41)42(57-7)43(33)60-45/h10-19H,1-9H3


key: CAN_SMILES
value:
  COc1cc(cc(c1OC)F)c1nc2c(c3cc(c(s3)c3oc4c(c3F)c(F)c3c(c4OC)c(C)co3)C)c(SC)c(c(c2nc1c1ccc(c(c1)C)F)c1cccn1C)OC	


key: SMILES
value:
  c1(ccc(c2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1cc(c(c(c1)C)OC)OC)c1cc(cn1C)SC)c1c(c(c(n1C)c1cc(c(c2ccc(s2)c2c(cc(c3ccc(c4c3nc(c(n4)c3cc(c(c(c3)C)OC)OC)c3cc(c(c(c3)F)SC)F)c3c(c(c(n3C)c3cc(c(c4cccs4)s3)SC)C)C)n2C)SC)s1)SC)C)C	


key: CAN_SMILES
value:
  CSc1cn(c(c1)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1c(C)c(c(n1C)c1cc(c(s1)c1ccc(s1)c1c(SC)cc(n1C)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1c(C)c(c(n1C)c1cc(c(s1)c1cccs1)SC)C)SC)C)C	


key: InChI
value:
  InChI=1S/C92H82F4N8O4S10/c1-43-30-49(36-64(105-11)87(43)107-13)74-76(51-32-58(93)89(113-19)59(94)33-51)97-78-54(62-38-53(109-15)42-101(62)7)23-25-56(80(78)99-74)82-46(4)48(6)85(104(82)10)71-41-73(112-18)92(118-71)68-28-27-66(116-68)86-69(110-16)39-63(102(86)8)55-24-26-57(83-45(3)47(5)84(103(83)9)70-40-72(111-17)91(117-70)67-22-21-29-115-67)81-79(55)98-77(52-34-60(95)90(114-20)61(96)35-52)75(100-81)50-31-44(2)88(108-14)65(37-50)106-12/h21-42H,1-20H3


key: SMILES
value:
  c1(c2c(c([se]1)c1cc(c[se]1)F)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(s1)c1oc2c(c(c3c(c2)c(c(n3C)c2c(cc(c3c4c(c([se]3)c3cc(c(s3)c3oc5c(c(c6c(c5)c(cn6C)F)F)c3F)F)C(=O)c3c(C4=O)cc(c(c3)C)OC)[se]2)F)F)F)c1F)F	


key: CAN_SMILES
value:
  COc1cc2c(cc1C)C(=O)c1c(C2=O)c([se]c1c1cc(c(s1)c1oc2c(c1F)c(F)c1c(c2)c(F)cn1C)F)c1cc(c([se]1)c1n(C)c2c(c1F)cc1c(c2F)c(F)c(o1)c1sc(cc1F)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)C)OC)c1[se]cc(c1)F)F	


key: InChI
value:
  InChI=1S/C66H30F10N2O8S2Se4/c1-19-7-22-24(10-32(19)83-5)56(81)44-42(54(22)79)63(91-65(44)38-9-21(67)18-89-38)36-14-28(68)61(87-36)59-50(76)41-35(86-59)13-27-46(72)53(78(4)52(27)48(41)74)62-30(70)16-39(90-62)66-45-43(55(80)23-8-20(2)33(84-6)11-25(23)57(45)82)64(92-66)37-15-29(69)60(88-37)58-49(75)40-34(85-58)12-26-31(71)17-77(3)51(26)47(40)73/h7-18H,1-6H3


key: InChI
value:
  InChI=1S/C33H25F2N5O3S5/c1-12-22-27(43-25(12)15-10-16-31(47-15)28-29(48-16)13(34)11-42-28)19(35)23(39(22)3)17-20-21(37-40(4)36-20)18(32(44-6)26(17)41-5)24-33(45-7)30-14(38(24)2)8-9-46-30/h8-11H,1-7H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)F)c1c(c(cs1)F)OC)SC)SC)c1c(c(c(n1C)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(c(s3)c2c(c(c(c3c(c(c(c4c3nc(c(n4)F)C)c3c(c(c(n3C)c3sc4c(c(c5c(c4c4cc(cc(c4)F)SC)c(cs5)C)c4cc(cc(c4)C)OC)c3)F)F)SC)SC)s2)OC)F)C)c2cc(cc(c2)C)OC)c1)F)F	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2sc(c(c2c(c2c1cc(s2)c1c(F)c(c(n1C)c1c(SC)c(SC)c(c2c1nc(F)c(n2)C)c1scc(c1OC)F)F)c1cc(F)cc(c1)SC)C)c1sc(c(c1F)OC)c1c(SC)c(SC)c(c2c1nc(C)c(n2)F)c1c(F)c(c(n1C)c1cc2c(s1)c(c1cc(F)cc(c1)SC)c1c(c2c2cc(C)cc(c2)OC)scc1C)F	


key: InChI
value:
  InChI=1S/C94H70F10N6O4S12/c1-35-19-41(25-47(21-35)111-9)58-51-31-54(123-82(51)60(56-37(3)33-121-84(56)58)43-23-45(95)29-49(27-43)115-13)75-66(98)69(101)78(109(75)7)63-72-74(106-40(6)94(104)108-72)65(91(120-18)89(63)118-16)87-80(114-12)70(102)92(126-87)81-38(4)57-61(44-24-46(96)30-50(28-44)116-14)83-52(59(85(57)125-81)42-20-36(2)22-48(26-42)112-10)32-55(124-83)76-67(99)68(100)77(110(76)8)62-71-73(105-39(5)93(103)107-71)64(90(119-17)88(62)117-15)86-79(113-11)53(97)34-122-86/h19-34H,1-18H3


key: InChI
value:
  InChI=1S/C30H21F4N3O4S3/c1-10-9-39-23-15(10)24(38-4)25-17(18(23)33)19(34)26(40-25)30-28(42-5)11(2)27(44-30)16-13(31)7-12(20-21(16)36-41-35-20)22-29(43-6)14(32)8-37(22)3/h7-9H,1-6H3


key: SMILES
value:
  c1(c(c(c(c2c1ncc(n2)SC)c1c(c2c(o1)c(cs2)F)OC)SC)F)c1c(c2c(s1)cc(n2C)c1c(c2c(c3c(cc2n1C)c(c(s3)c1c(c2c(c(c(c3c(c(c(c4c3nc(cn4)SC)c3c(c4c(s3)cc(n4C)c3c(c4c(c5c(cc4n3C)c(cs5)F)SC)SC)SC)F)SC)o2)OC)s1)F)F)SC)SC)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c1oc3c(c1OC)sc(c3F)c1sc3c(c1F)cc1c(c3SC)c(SC)c(n1C)c1cc3c(n1C)c(c(s3)c1c(F)c(SC)c(c3c1ncc(n3)SC)c1oc3c(c1OC)scc3F)SC)c(c(c2c1sc2c(c1SC)n(c(c2)c1c(SC)c2c(n1C)cc1c(c2SC)scc1F)C)F)SC	


key: InChI
value:
  InChI=1S/C76H56F6N8O4S16/c1-87-29-17-25-27(77)23-105-61(25)67(101-13)37(29)65(99-11)51(87)31-19-33-53(89(31)3)73(103-15)70(107-33)40-45(81)64(98-10)42(50-48(40)84-22-36(86-50)96-8)57-60(92-6)76-58(94-57)46(82)72(110-76)71-43(79)26-18-30-38(68(102-14)62(26)109-71)66(100-12)52(88(30)2)32-20-34-54(90(32)4)74(104-16)69(108-34)39-44(80)63(97-9)41(49-47(39)83-21-35(85-49)95-7)56-59(91-5)75-55(93-56)28(78)24-106-75/h17-24H,1-16H3


key: InChI
value:
  InChI=1S/C26H19F2N3O4S2SeSi/c1-31-29-17-10(24-25(36-4)12(28)9-37-24)7-11(27)16(18(17)30-31)21-23(33-3)22(32-2)19(35-21)13-8-15-20(34-13)26-14(39-15)5-6-38-26/h5-9H,39H2,1-4H3


key: InChI
value:
  InChI=1S/C26H19F2N3O2S3SeSi/c1-10-22(36-25(23(10)34-3)14-8-16-26(37-14)21-15(38-16)5-6-32-21)17-12(27)7-11(18-19(17)30-33-29-18)20-24(35-4)13(28)9-31(20)2/h5-9H,38H2,1-4H3


key: InChI
value:
  InChI=1S/C26H18F2N4O4S3/c1-32-30-17-10(24-25(37-4)12(28)9-39-24)7-11(27)16(18(17)31-32)21-23(34-3)22(33-2)20(36-21)15-8-14-19(35-15)26-13(29-14)5-6-38-26/h5-9,29H,1-4H3


key: InChI
value:
  InChI=1S/C28H24F2N4OS5/c1-13-25(40-28(26(13)37-5)20-8-7-19(39-20)18-9-14(36-4)11-33(18)2)21-16(29)10-15(22-23(21)32-35-31-22)24-27(38-6)17(30)12-34(24)3/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C28H23F3N4OS5/c1-12-24(19-15(30)9-13(20-21(19)33-36-32-20)22-26(39-6)16(31)11-35(22)3)41-28(25(12)38-5)18-10-17(37-4)27(40-18)23-14(29)7-8-34(23)2/h7-11H,1-6H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(c(cn2C)SC)n1C)SC)C)F)c1c(c2c(s1)c(c(o2)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(cs3)OC)c2ccc(cc2)C)c1C)C)SC	


key: CAN_SMILES
value:
  CSc1c2oc(c(c2sc1c1c(F)c(C)c(c2c1nn(n2)C)c1c(SC)c2c(n1C)c(cn2C)SC)C)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1	


key: InChI
value:
  InChI=1S/C52H44F3N5O3S5/c1-21-13-15-26(16-14-21)34-31-24(4)44(62-46(31)33(35-29(61-9)20-67-49(34)35)27-17-22(2)37(54)28(53)18-27)45-25(5)48-47(63-45)52(66-12)50(68-48)36-38(55)23(3)32(39-40(36)57-60(8)56-39)42-51(65-11)43-41(59(42)7)30(64-10)19-58(43)6/h13-20H,1-12H3


key: InChI
value:
  InChI=1S/C27H21F2N3O2S4/c1-12-9-17(18-7-6-8-37-18)33-23(12)27-25(35-4)13(2)24(38-27)19-15(28)10-14(20-21(19)31-34-30-20)22-26(36-5)16(29)11-32(22)3/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C34H29F2N3O3S3/c1-39-13-12-25(43-4)32(39)23-17-24(40-2)33(42-23)28-21(36)10-11-22-31(28)38-29(18-8-7-9-20(35)14-18)30(37-22)19-15-26(44-5)34(41-3)27(16-19)45-6/h7-17H,1-6H3


key: InChI
value:
  InChI=1S/C28H27FN4O4S3/c1-12-8-14(23-18(29)16(38-6)10-37-23)19-20(31-40-30-19)17(12)22-26(39-7)13(2)28(11-33(22)28)27-25(35-5)24-21(32(27)3)15(34-4)9-36-24/h8-10,13H,11H2,1-7H3/t13-,28+,33-/m0/s1


key: InChI
value:
  InChI=1S/C28H22F2N4O4S/c1-11-7-14(22-23(35-6)12(2)9-33(22)4)20-21(32-34(5)31-20)18(11)24-13(3)19(30)26(38-24)17-8-16-28(39-17)27-25(37-16)15(29)10-36-27/h7-10H,1-6H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cs1)F)SC)F)c1c(c(c(o1)c1oc2c3[se]c(cc3[SiH2]c2c1)c1c(c(c(c2cc(c(c3c2nn(n3)C)c2c(c(c(o2)c2oc3c4[se]ccc4[SiH2]c3c2)OC)OC)F)s1)SC)F)OC)OC	


key: CAN_SMILES
value:
  CSc1c(F)c(sc1c1cc(F)c(c2c1nn(n2)C)c1oc(c(c1OC)OC)c1cc2c(o1)c1c([SiH2]2)cc[se]1)c1cc2c([se]1)c1c([SiH2]2)cc(o1)c1oc(c(c1OC)OC)c1c(F)cc(c2c1nn(n2)C)c1scc(c1SC)F	


key: InChI
value:
  InChI=1S/C52H36F4N6O8S4Se2Si2/c1-61-57-32-17(46-48(71-7)21(55)16-73-46)11-19(53)29(34(32)59-61)40-44(65-5)43(64-4)37(70-40)23-14-27-39(68-23)52-28(78-27)15-24(76-52)49-31(56)50(72-8)47(74-49)18-12-20(54)30(35-33(18)58-62(2)60-35)41-45(66-6)42(63-3)36(69-41)22-13-26-38(67-22)51-25(77-26)9-10-75-51/h9-16H,77-78H2,1-8H3


key: InChI
value:
  InChI=1S/C28H27FN4O2S4/c1-12-8-15(23-18(29)16(36-6)9-35-23)19-20(31-39-30-19)17(12)22-25(37-7)14(3)28(11-33(22)28)27-24(34-5)26-21(32(27)4)13(2)10-38-26/h8-10,14H,11H2,1-7H3/t14-,28+,33-/m0/s1


key: InChI
value:
  InChI=1S/C29H27FN4O3S2/c1-14-10-18(26-27(35-6)15(2)12-33(26)4)24-25(32-34(5)31-24)22(14)28-16(3)23(30)29(37-28)21-9-8-20(39-21)19-11-17(38-7)13-36-19/h8-13H,1-7H3


key: InChI
value:
  InChI=1S/C30H30FN5O2S2/c1-15-11-19(27-28(37-7)16(2)13-35(27)5)25-26(33-36(6)32-25)23(15)29-17(3)24(31)30(38-29)22-10-9-21(40-22)20-12-18(39-8)14-34(20)4/h9-14H,1-8H3


key: InChI
value:
  InChI=1S/C28H24FN5O2Se2/c1-12-9-15(23-24(35-6)13(2)11-33(23)4)21-22(32-34(5)31-21)19(12)25-14(3)20(29)26(36-25)18-10-17-28(38-18)27-16(30-17)7-8-37-27/h7-11,30H,1-6H3


key: InChI
value:
  InChI=1S/C33H24FNO8S2/c1-35-9-8-23(44-5)27(35)19-12-20(39-3)31(42-19)33-22(40-4)13-24(45-33)32-26-25(30(43-32)21-10-15(34)14-41-21)28(36)17-7-6-16(38-2)11-18(17)29(26)37/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C31H25F3N4O3S5/c1-37-17-9-12-15(33)10-45-27(12)31(44-7)19(17)30(43-6)22(37)24-26(40-4)25(39-3)23(41-24)18-14(32)8-13(20-21(18)36-38(2)35-20)28-29(42-5)16(34)11-46-28/h8-11H,1-7H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cs1)F)SC)F)c1c(c(c(o1)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)ccs3)c2cc(c(F)n2C)OC)c1OC)OC)OC	


key: InChI
value:
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key: CAN_SMILES
value:
  COc1c(oc(c1OC)c1c(F)cc(c2c1nn(n2)C)c1scc(c1SC)F)c1oc2c(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)ccs1	


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1sc2c3[se]ccc3[GeH2]c2c1)C	


key: InChI
value:
  InChI=1S/C43H35F2GeN3O3S3Se/c1-20-15-22(10-11-24(20)44)34-35(23-17-25(45)38(51-5)29(18-23)50-4)48-37-33(42(53-7)39(52-6)32(36(37)47-34)28-9-8-13-49(28)3)30-16-21(2)40(54-30)31-19-27-41(55-31)43-26(46-27)12-14-56-43/h8-19H,46H2,1-7H3


key: CAN_SMILES
value:
  CSc1c(c2sc(c(c2)C)c2cc3c(s2)c2c([GeH2]3)cc[se]2)c2nc(c3cc(F)c(c(c3)OC)OC)c(nc2c(c1OC)c1cccn1C)c1ccc(c(c1)C)F	


key: InChI
value:
  InChI=1S/C29H22F2N2OS3/c1-17(35-2)13-23-29(26-12-11-25(37-26)24-15-20(36-3)16-34-24)33-27(18-7-5-4-6-8-18)28(32-23)19-9-10-21(30)22(31)14-19/h4-16H,1-3H3/b17-13+


key: InChI
value:
  InChI=1S/C28H24F2N4O3S3/c1-13-25(40-28(26(13)38-5)20-8-7-19(36-20)18-9-14(35-4)11-33(18)2)21-16(29)10-15(22-23(21)32-37-31-22)24-27(39-6)17(30)12-34(24)3/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C26H19F2GeN3OS4Se/c1-10-21(37-25(22(10)34-3)16-8-15-24(36-16)26-14(29-15)5-6-38-26)17-12(27)7-11(18-19(17)31-33-30-18)20-23(35-4)13(28)9-32(20)2/h5-9H,29H2,1-4H3


key: InChI
value:
  InChI=1S/C31H27FN2O5SSeSi/c1-12-11-37-28(29(12)40-7)20-23-22(34-31(36-6)15(4)33-23)19(13(2)24(20)35-5)25-14(3)21(32)26(39-25)16-10-18-27(38-16)30-17(42-18)8-9-41-30/h8-11H,42H2,1-7H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1c(cc(c2c(ccs2)C)s1)OC)C	


key: InChI
value:
  InChI=1S/C45H39F2N3O4S4/c1-22-14-16-56-42(22)33-21-31(52-6)44(58-33)43-24(3)18-32(57-43)35-39-38(34(29-11-10-15-50(29)4)41(54-8)45(35)55-9)48-36(25-12-13-27(46)23(2)17-25)37(49-39)26-19-28(47)40(53-7)30(20-26)51-5/h10-21H,1-9H3


key: CAN_SMILES
value:
  CSc1c(c2cc(c(s2)c2sc(cc2OC)c2sccc2C)C)c2nc(c3cc(F)c(c(c3)OC)OC)c(nc2c(c1OC)c1cccn1C)c1ccc(c(c1)C)F	


key: InChI
value:
  InChI=1S/C29H21F4N3OS4SeSi/c1-10-29(33)35-19-15(26(38-4)27(39-5)16(20(19)34-10)25-23(37-3)11(30)9-41-25)22-18(32)17(31)21(36(22)2)12-8-14-28(42-12)24-13(43-14)6-7-40-24/h6-9H,43H2,1-5H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)F)C)c1cc(cc(c1)OC)SC)c1c(c(cn1C)OC)SC)SC)SC)c1ccc(o1)c1c(c2c(c(cs2)F)s1)F	


key: InChI
value:
  InChI=1S/C43H36F3N3O3S6/c1-19-12-21(13-20(2)31(19)45)33-34(22-14-23(50-4)16-24(15-22)53-6)47-35-29(26-10-11-27(52-26)39-32(46)43-38(58-39)25(44)18-57-43)41(55-8)42(56-9)30(36(35)48-33)37-40(54-7)28(51-5)17-49(37)3/h10-18H,1-9H3


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3sc4c(c3F)scc4F)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


key: InChI
value:
  InChI=1S/C29H20F4N4OS3Se2/c1-10-29(33)36-19-15(25(39-4)26(40-5)16(20(19)34-10)24-23(38-3)11(30)9-41-24)22-18(32)17(31)21(37(22)2)14-8-13-28(43-14)27-12(35-13)6-7-42-27/h6-9,35H,1-5H3


key: InChI
value:
  InChI=1S/C30H23F4N3O2S4/c1-12-10-15(16-8-7-9-42-16)39-25(12)24-20(33)19(32)23(37(24)3)17-21-22(35-13(2)30(34)36-21)18(29(41-6)28(17)40-5)27-26(38-4)14(31)11-43-27/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C32H24F2GeN2O3S/c1-15-11-17(5-7-19(15)33)28-29(18-6-8-23(38-3)16(2)12-18)37-30-22(36-28)14-25(39-4)27(34)26(30)24-13-21-31(40-24)32-20(35-21)9-10-41-32/h5-14H,35H2,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1c(c2c(c(cs2)C)n1C)OC)C	


key: InChI
value:
  InChI=1S/C44H40F2N4O4S3/c1-21-16-24(13-14-26(21)45)33-34(25-18-27(46)39(52-7)29(19-25)51-6)48-36-32(43(55-10)40(53-8)31(35(36)47-33)28-12-11-15-49(28)4)30-17-22(2)42(57-30)38-41(54-9)44-37(50(38)5)23(3)20-56-44/h11-20H,1-10H3


key: CAN_SMILES
value:
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key: SMILES
value:
  c1(ccc(c2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1cc(c(c(c1)C)OC)OC)c1cc(cn1C)SC)c1c(c(c(n1C)c1cc(c(c2c(ccs2)SC)o1)OC)C)C	


key: CAN_SMILES
value:
  CSc1cn(c(c1)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1c(C)c(c(n1C)c1oc(c(c1)OC)c1sccc1SC)C)C	


key: InChI
value:
  InChI=1S/C47H44F2N4O4S4/c1-23-16-26(19-35(54-6)44(23)56-8)38-39(27-17-31(48)46(60-11)32(49)18-27)50-40-29(33-20-28(58-9)22-52(33)4)12-13-30(41(40)51-38)42-24(2)25(3)43(53(42)5)34-21-36(55-7)45(57-34)47-37(59-10)14-15-61-47/h12-22H,1-11H3


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)C1=C([C@@H]([C@@]2(N1C2)c1c(c2c(c(c(o2)c2c(c(c(c3cc(c(c4c3nsn4)C3=C([C@@H]([C@@]4(N3C4)c3c(c4c(c(co4)OC)n3C)OC)C)SC)C)o2)F)SC)OC)n1C)OC)C)SC	


key: CAN_SMILES
value:
  CSC1=C(c2c(C)cc(c3c2nsn3)c2occ(c2F)SC)N2[C@@]([C@H]1C)(C2)c1c(OC)c2c(n1C)c(c(o2)c1oc(c(c1SC)F)c1cc(C)c(c2c1nsn2)C1=C(SC)[C@@H]([C@@]2(N1C2)c1c(OC)c2c(n1C)c(co2)OC)C)OC	


key: InChI
value:
  InChI=1S/C56H52F2N8O8S6/c1-21-15-25(41-31(57)28(75-11)18-72-41)33-35(61-79-59-33)29(21)38-51(77-13)24(4)56(20-66(38)56)54-49(70-10)45-40(64(54)6)43(68-8)46(74-45)47-52(78-14)32(58)42(73-47)26-16-22(2)30(36-34(26)60-80-62-36)39-50(76-12)23(3)55(19-65(39)55)53-48(69-9)44-37(63(53)5)27(67-7)17-71-44/h15-18,23-24H,19-20H2,1-14H3/t23-,24-,55+,56+,65-,66-/m0/s1


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)OC)c1c(c2c(c(co2)C)n1C)SC)C)SC)c1c(c2c(s1)c(c(n2C)c1oc2c(c(c3c(c2OC)c(c(o3)c2c(c3c(c(c(c4c(c(c(c5c4nc(c(n5)OC)OC)c4c(c5c(s4)c(c(n5C)c4oc5c(c(c6c(c5OC)c(co6)C)F)c4F)SC)F)SC)C)n3C)SC)o2)C)C)F)c1F)SC)F	


key: CAN_SMILES
value:
  COc1nc2c(nc1OC)c(c1sc3c(c1F)n(c(c3SC)c1oc3c(c1F)c(F)c1c(c3OC)c(C)co1)C)c(c(c2c1c(SC)c2c(n1C)c(c(o2)c1oc2c(c1C)c(OC)c1c(c2F)c(F)c(o1)c1c(SC)c2c(n1C)c(c(s2)c1c(SC)c(C)c(c2c1nc(OC)c(n2)OC)c1c(SC)c2c(n1C)c(co2)C)F)C)C)SC	


key: InChI
value:
  InChI=1S/C82H68F6N8O12S8/c1-25-23-103-59-31(25)61(97-11)63-35(39(59)83)41(85)65(107-63)55-75(113-21)77-53(95(55)9)43(87)72(116-77)38-48-46(90-80(100-14)82(92-48)102-16)33(29(5)70(38)110-18)52-74(112-20)68-50(94(52)8)30(6)58(106-68)57-27(3)34-60(105-57)40(84)36-42(86)66(108-64(36)62(34)98-12)56-76(114-22)78-54(96(56)10)44(88)71(115-78)37-47-45(89-79(99-13)81(91-47)101-15)32(28(4)69(37)109-17)51-73(111-19)67-49(93(51)7)26(2)24-104-67/h23-24H,1-22H3


key: InChI
value:
  InChI=1S/C19H15FN2O2S3/c1-23-13-7-11-19(21-8-16(22-11)26-3)17(18(13)20)15-5-4-14(27-15)12-6-10(25-2)9-24-12/h4-9H,1-3H3


key: InChI
value:
  InChI=1S/C19H14FN3OS3Se/c1-25-12-7-9-14(23-19(27-3)18(20)22-9)13(16(12)26-2)11-6-10-15(24-11)17-8(21-10)4-5-28-17/h4-7,21H,1-3H3


key: InChI
value:
  InChI=1S/C31H22F2GeN2O2S3/c1-37-30-23(39-2)12-16(13-24(30)40-3)27-26(15-5-4-6-17(32)11-15)36-28-21(35-27)8-7-18(33)25(28)22-14-20-29(38-22)31-19(34-20)9-10-41-31/h4-14H,34H2,1-3H3


key: InChI
value:
  InChI=1S/C19H14FN3S3Se2/c1-24-11-6-9-14(23-19(26-3)18(20)22-9)13(15(11)25-2)12-7-10-17(28-12)16-8(21-10)4-5-27-16/h4-7,21H,1-3H3


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1oc2c3sc(cc3[nH]c2c1)c1c(c(c(c2c(c(c(c3c2non3)c2c(cc(o2)c2oc3c4sccc4[nH]c3c2)F)F)SC)s1)OC)F)F	


key: CAN_SMILES
value:
  COc1c(F)c(sc1c1c(SC)c(F)c(c2c1non2)c1oc(cc1F)c1cc2c(o1)c1c([nH]2)ccs1)c1cc2c(s1)c1c([nH]2)cc(o1)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F	


key: InChI
value:
  InChI=1S/C48H22F6N6O8S6/c1-61-38-15(51)12-72-47(38)27-34-32(57-67-59-34)25(29(52)45(27)69-3)36-14(50)8-21(64-36)23-10-18-40(66-23)43-19(56-18)11-24(73-43)44-31(54)41(62-2)48(74-44)28-35-33(58-68-60-35)26(30(53)46(28)70-4)37-13(49)7-20(63-37)22-9-17-39(65-22)42-16(55-17)5-6-71-42/h5-12,55-56H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(ccs2)n1C)SC)SC)OC)c1c(c2c(c(c(o2)c2oc3c(c(c4c(c3C)c(c(o4)c3cc4c(c(c(c5c(c(c(c6c5nn(n6)C)c5c(c6c(c(c(o6)C6=C([C]7C(=C8[C](C(=C7O6)C)C(=CO8)C)C)F)C)n5C)F)OC)SC)n4C)SC)s3)C)C)c2F)C)n1C)F	


key: CAN_SMILES
value:
  CSc1c(OC)c(c2c(c1c1c(SC)c3c(n1C)cc(s3)c1oc3c(c1C)c(C)c1c(c3C)c(F)c(o1)c1oc3c(c1C)n(c(c3F)c1c(OC)c(SC)c(c3c1nn(n3)C)c1c(SC)c3c(n1C)ccs3)C)nn(n2)C)c1c(F)c2c(n1C)c(c(o2)C1=C(F)[C]2C(=C(C)[C]3C(=C2C)OC=C3C)O1)C	


key: InChI
value:
  InChI=1S/C76H64F4N10O8S6/c1-25-24-93-59-29(5)38-44(77)69(95-61(38)26(2)36(25)59)63-31(7)52-67(97-63)47(80)55(87(52)11)41-49-51(84-90(14)82-49)43(74(100-18)66(41)92-16)57-76(102-20)72-34(86(57)10)23-35(104-72)58-27(3)37-28(4)62-39(30(6)60(37)94-58)45(78)70(96-62)64-32(8)53-68(98-64)46(79)54(88(53)12)40-48-50(83-89(13)81-48)42(73(99-17)65(40)91-15)56-75(101-19)71-33(85(56)9)21-22-103-71/h21-24H,1-20H3


key: InChI
value:
  InChI=1S/C31H22F2N2OS2/c1-17-14-24(25-10-7-13-38-25)36-31(17)27-18(2)26(37-3)16-23-30(27)35-28(19-8-5-4-6-9-19)29(34-23)20-11-12-21(32)22(33)15-20/h4-16H,1-3H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(ccs2)n1C)SC)SC)OC)c1c(c2c(c(c(o2)c2cc(c(c3ccc(s3)c3cc4c(c(c(c5c(c(c(c6c5nn(n6)C)c5c(c6c(c(c(o6)c6cc(c(c7cccs7)s6)SC)C)n5C)F)OC)SC)n4C)SC)s3)s2)SC)C)n1C)F	


key: CAN_SMILES
value:
  CSc1cc(sc1c1ccc(s1)c1sc2c(c1)n(c(c2SC)c1c(SC)c(OC)c(c2c1nn(n2)C)c1c(F)c2c(n1C)c(c(o2)c1cc(c(s1)c1cccs1)SC)C)C)c1oc2c(c1C)n(c(c2F)c1c(OC)c(SC)c(c2c1nn(n2)C)c1c(SC)c2c(n1C)ccs2)C	


key: InChI
value:
  InChI=1S/C68H58F2N10O4S12/c1-27-49-59(83-55(27)35-25-37(85-11)63(95-35)32-18-17-22-91-32)43(69)52(77(49)5)40-46-48(74-80(8)72-46)42(66(88-14)58(40)82-10)54-68(90-16)62-30(76(54)4)24-34(94-62)31-19-20-33(93-31)64-38(86-12)26-36(96-64)56-28(2)50-60(84-56)44(70)51(78(50)6)39-45-47(73-79(7)71-45)41(65(87-13)57(39)81-9)53-67(89-15)61-29(75(53)3)21-23-92-61/h17-26H,1-16H3


key: InChI
value:
  InChI=1S/C19H14FN3O2/c1-9-8-24-19-17-14(25-18(9)19)6-13(23(17)3)15-11(20)4-5-12-16(15)21-7-10(2)22-12/h4-8H,1-3H3


key: InChI
value:
  InChI=1S/C35H24F4N2O4S2/c1-15-14-44-32-23(15)34(43-3)35-25(26(32)38)27(39)33(45-35)24-19(37)9-10-20-30(24)41-28(16-7-6-8-18(36)11-16)29(40-20)17-12-21(46-4)31(42-2)22(13-17)47-5/h6-14H,1-5H3


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1c(c2c(c(c(o2)c2c(c(c(c3c(c(c(c4c3non4)c3c(cc(o3)c3c(c4c(c(co4)OC)n3C)OC)F)F)SC)s2)OC)F)OC)n1C)OC)F	


key: CAN_SMILES
value:
  COc1c(F)c(sc1c1c(SC)c(F)c(c2c1non2)c1oc(cc1F)c1c(OC)c2c(n1C)c(co2)OC)c1oc2c(c1OC)n(c(c2OC)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F)C	


key: InChI
value:
  InChI=1S/C50H34F6N6O12S4/c1-61-32(40(66-6)43-34(61)20(63-3)13-69-43)18-11-15(51)37(70-18)22-26(55)47(76-10)24(31-29(22)58-74-60-31)49-39(65-5)27(56)50(78-49)45-42(68-8)35-44(72-45)41(67-7)33(62(35)2)19-12-16(52)36(71-19)21-25(54)46(75-9)23(30-28(21)57-73-59-30)48-38(64-4)17(53)14-77-48/h11-14H,1-10H3


key: SMILES
value:
  c1(c(cc(c2nonc12)c1c(c(cn1C)F)SC)F)c1c(c(c(s1)c1oc2c(c(c3c(c2OC)c(c(o3)c2c(c(c(c3cc(c(c4c3non4)c3c(c(c(s3)c3oc4c(c(c5c(c4OC)c(co5)C)F)c3F)SC)C)F)n2C)SC)F)C)F)c1F)SC)C	


key: CAN_SMILES
value:
  CSc1c(F)c(n(c1c1cc(F)c(c2c1non2)c1sc(c(c1C)SC)c1oc2c(c1F)c(F)c1c(c2OC)c(C)co1)C)c1oc2c(c1C)c(OC)c1c(c2F)c(F)c(o1)c1sc(c(c1SC)C)c1c(F)cc(c2c1non2)c1n(C)cc(c1SC)F	


key: InChI
value:
  InChI=1S/C60H40F8N6O8S6/c1-17-16-77-45-26(17)47(75-7)49-30(32(45)64)34(66)51(79-49)59-55(83-9)20(4)54(88-59)29-24(62)14-22(38-40(29)72-82-70-38)42-58(86-12)36(68)43(74(42)6)44-18(2)27-46(78-44)33(65)31-35(67)52(80-50(31)48(27)76-8)60-56(84-10)19(3)53(87-60)28-23(61)13-21(37-39(28)71-81-69-37)41-57(85-11)25(63)15-73(41)5/h13-16H,1-12H3


key: InChI
value:
  InChI=1S/C17H11F3N2S5/c1-23-8-4-7-11(22-17(25-3)16(20)21-7)9(13(8)24-2)14-10(19)15-12(27-14)6(18)5-26-15/h4-5H,1-3H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)OC)SC)c1cc(c(c(c1)F)OC)F)c1c(c2c(c(cs2)F)n1C)OC)SC)OC)c1c(c2c(s1)c(c(n2C)c1sc2c(c(c3c(c2c2ccc(s2)F)c(c(s3)c2c(c3c(c(c(c4c(c(c(c5c4nc(c(n5)c4cc(c(c(c4)F)OC)F)c4cc(c(c(c4)C)OC)SC)c4c(c5c(s4)c(c(n5C)c4sc5c(c(c6c(c5c5ccc(s5)F)c(cs6)SC)c5cc(c(s5)OC)C)c4)SC)OC)OC)SC)n3C)OC)s2)F)SC)c2cc(c(s2)OC)C)c1)SC)OC	


key: CAN_SMILES
value:
  COc1sc(cc1C)c1c2sc(c(c2c(c2c1cc(s2)c1c(SC)c2c(n1C)c(c(s2)c1c(OC)c(SC)c(c2c1nc(c1cc(F)c(c(c1)F)OC)c(n2)c1cc(C)c(c(c1)SC)OC)c1c(OC)c2c(n1C)c(cs2)F)OC)c1ccc(s1)F)SC)c1sc2c(c1F)n(c(c2OC)c1c(SC)c(OC)c(c2c1nc(c1cc(C)c(c(c1)SC)OC)c(n2)c1cc(F)c(c(c1)F)OC)c1sc2c(c1OC)n(c(c2SC)c1cc2c(s1)c(c1ccc(s1)F)c1c(c2c2cc(c(s2)OC)C)scc1SC)C)C	


key: Name
value:
  A8-CH3_OCH3_SCH3_F_OCH3_F_F_OCH3_SCH3_OCH3_SCH3_OCH3-NCH3_S_S_NCH3-D9-F_H_H_OCH3_CH3_SCH3-S_S_S_S-p2


key: InChI
value:
  InChI=1S/C128H102F8N8O12S20/c1-47-33-51(41-68(157-21)100(47)145-9)84-86(53-37-57(129)102(147-11)58(130)38-53)139-90-81(104(149-13)114(160-24)79(88(90)137-84)95-106(151-15)120-92(141(95)5)61(133)45-165-120)116-109(154-18)99-125(174-116)123(164-28)94(143(99)7)67-44-56-74(65-36-50(4)128(156-20)172-65)113-78(76(111(56)170-67)63-30-32-72(135)168-63)118(162-26)126(173-113)119-83(136)97-121(176-119)107(152-16)96(144(97)8)80-89-91(140-87(54-39-59(131)103(148-12)60(132)40-54)85(138-89)52-34-48(2)101(146-10)69(42-52)158-22)82(105(150-14)115(80)161-25)117-108(153-17)98-124(175-117)122(163-27)93(142(98)6)66-43-55-73(64-35-49(3)127(155-19)171-64)112-77(70(159-23)46-166-112)75(110(55)169-66)62-29-31-71(134)167-62/h29-46H,1-28H3


key: SMILES
value:
  c1(c(cc(c2nonc12)c1c(c(cn1C)F)SC)F)c1c(c(c(s1)c1ccc(c2cc(c(n2C)c2c(c(c(c3cc(c(c4c3non4)c3c(c(c(s3)c3ccc(c4cc(cn4C)SC)s3)SC)C)F)n2C)SC)F)SC)s1)SC)C	


key: CAN_SMILES
value:
  CSc1cn(c(c1)c1ccc(s1)c1sc(c(c1SC)C)c1c(F)cc(c2c1non2)c1n(C)c(c(c1SC)F)c1c(SC)cc(n1C)c1ccc(s1)c1sc(c(c1SC)C)c1c(F)cc(c2c1non2)c1n(C)cc(c1SC)F)C	


key: InChI
value:
  InChI=1S/C56H46F4N8O2S10/c1-23-49(38-28(57)18-26(41-43(38)63-69-61-41)45-53(75-11)30(59)22-66(45)4)80-55(52(23)74-10)36-16-14-34(78-36)32-20-37(72-8)47(67(32)5)48-40(60)56(76-12)46(68(48)6)27-19-29(58)39(44-42(27)62-70-64-44)50-24(2)51(73-9)54(79-50)35-15-13-33(77-35)31-17-25(71-7)21-65(31)3/h13-22H,1-12H3


key: InChI
value:
  InChI=1S/C20H17FN2O2S4/c1-24-14-9-13(25-17(14)18-15(26-2)5-6-29-18)11-7-10(21)8-12-16(11)23-20(28-4)19(22-12)27-3/h5-9H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)C)c1c(c(co1)F)SC)F)OC)c1c(c(c(s1)c1sc2c3[se]c(cc3[GeH2]c2c1)c1c(c(c(c2c(c(c(c3c2nc(c(n3)C)OC)c2c(c(c(s2)c2sc3c4[se]ccc4[GeH2]c3c2)F)SC)OC)F)o1)SC)F)F)SC	


key: CAN_SMILES
value:
  CSc1c(F)c(oc1c1c(F)c(OC)c(c2c1nc(OC)c(n2)C)c1sc(c(c1SC)F)c1cc2c(s1)c1c([GeH2]2)cc[se]1)c1cc2c([se]1)c1c([GeH2]2)cc(s1)c1sc(c(c1F)SC)c1c(OC)c(F)c(c2c1nc(C)c(n2)OC)c1occ(c1SC)F	


key: InChI
value:
  InChI=1S/C58H40F6Ge2N4O6S8Se2/c1-17-57(73-5)69-36-27(43-45(77-7)19(59)16-75-43)31(60)41(71-3)29(38(36)67-17)50-54(80-10)35(64)49(84-50)25-14-22-47(82-25)56-23(66-22)15-26(86-56)40-33(62)52(78-8)44(76-40)28-32(61)42(72-4)30(39-37(28)70-58(74-6)18(2)68-39)51-53(79-9)34(63)48(83-51)24-13-21-46(81-24)55-20(65-21)11-12-85-55/h11-16H,65-66H2,1-10H3


key: InChI
value:
  InChI=1S/C35H29F3N2O4S2/c1-16-15-43-33-18(3)27-29(38)35(44-34(27)17(2)26(16)33)32-22(14-25(36)46-7)39-30(19-9-8-10-21(11-19)41-4)31(40-32)20-12-23(42-5)28(37)24(13-20)45-6/h8-15H,1-7H3/b25-14+


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1sc2c(c(c3c(c2OC)c(c(n3C)c2c(c(c(c3c(c(c(c4c3non4)c3c(cc(o3)c3sc4c(c(c5c(c4OC)c(cn5C)C)OC)c3C)F)F)SC)s2)OC)F)C)OC)c1C)F	


key: CAN_SMILES
value:
  COc1c2c(C)c(sc2c(c2c1n(C)c(c2C)c1sc(c(c1F)OC)c1c(SC)c(F)c(c2c1non2)c1oc(cc1F)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cn1C)OC)c1oc(c(c1)F)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F	


key: InChI
value:
  InChI=1S/C62H46F6N6O10S6/c1-19-17-73(5)44-28(19)51(78-10)59-30(49(44)76-8)21(3)54(88-59)26-15-24(64)47(81-26)33-37(67)57(86-14)35(42-40(33)70-84-72-42)61-53(80-12)38(68)62(90-61)43-20(2)29-45(74(43)6)50(77-9)31-22(4)55(89-60(31)52(29)79-11)27-16-23(63)46(82-27)32-36(66)56(85-13)34(41-39(32)69-83-71-41)58-48(75-7)25(65)18-87-58/h15-18H,1-14H3


key: SMILES
value:
  c1(cc(c(c2c1nc(cn2)SC)c1cc2c(o1)c(co2)OC)SC)c1c(c2c(o1)cc(o2)c1cc(c(c2c(cc(s2)c2c(c3c(cc(c4c(cc(c5c4ncc(n5)SC)c4c(c5c(o4)cc(o5)c4cc(c(c5c(ccs5)SC)o4)OC)SC)SC)o3)o2)OC)SC)o1)OC)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(cc(c2c1cc2c(o1)c(c(o2)c1sc(c(c1)SC)c1oc(cc1OC)c1oc2c(c1)oc(c2SC)c1cc(SC)c(c2c1nc(SC)cn2)c1cc2c(o1)c(co2)OC)OC)SC)c1oc2c(c1SC)oc(c2)c1oc(c(c1)OC)c1sccc1SC	


key: InChI
value:
  InChI=1S/C68H50N4O14S10/c1-73-35-17-29(78-59(35)65-42(87-5)13-14-95-65)31-19-39-61(80-31)67(93-11)56(84-39)28-16-44(89-7)50(54-52(28)72-48(92-10)25-70-54)34-22-38-58(83-34)64(76-4)63(86-38)45-23-46(90-8)66(96-45)60-36(74-2)18-30(79-60)32-20-40-62(81-32)68(94-12)55(85-40)27-15-43(88-6)49(53-51(27)71-47(91-9)24-69-53)33-21-37-57(82-33)41(75-3)26-77-37/h13-26H,1-12H3


key: SMILES
value:
  c1(c(cc(c2nonc12)c1c(c(cn1C)F)SC)F)c1c(c(c(s1)c1ccc(c2cc(c(n2C)c2c(c(c(c3cc(c(c4c3non4)c3c(c(c(s3)c3ccc(c4cc(cn4C)OC)o3)SC)C)F)n2C)SC)F)OC)o1)SC)C	


key: CAN_SMILES
value:
  COc1cn(c(c1)c1ccc(o1)c1sc(c(c1SC)C)c1c(F)cc(c2c1non2)c1n(C)c(c(c1SC)F)c1c(OC)cc(n1C)c1ccc(o1)c1sc(c(c1SC)C)c1c(F)cc(c2c1non2)c1n(C)cc(c1SC)F)C	


key: InChI
value:
  InChI=1S/C56H46F4N8O6S6/c1-23-49(38-28(57)18-26(41-43(38)63-73-61-41)45-53(77-11)30(59)22-66(45)4)80-55(52(23)76-10)36-16-14-34(72-36)32-20-37(70-8)47(67(32)5)48-40(60)56(78-12)46(68(48)6)27-19-29(58)39(44-42(27)62-74-64-44)50-24(2)51(75-9)54(79-50)35-15-13-33(71-35)31-17-25(69-7)21-65(31)3/h13-22H,1-12H3


key: InChI
value:
  InChI=1S/C34H28N6O2S6/c1-39-16-17(43-5)13-20(39)24-9-11-27(45-24)30-23(42-4)14-18(31-33(30)38-48-36-31)34-28(44-6)15-21(40(34)2)25-10-12-26(46-25)29-22(41-3)8-7-19-32(29)37-47-35-19/h7-16H,1-6H3


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1c(c2c(c3c(c(c(o3)c3c(c(c(c4c(c(c(c5c4non5)c4c(cc(o4)c4c(c5c(c6c(c(co6)F)o5)s4)SC)F)F)SC)s3)OC)F)F)o2)s1)SC)F	


key: CAN_SMILES
value:
  COc1c(F)c(sc1c1c(SC)c(F)c(c2c1non2)c1oc(cc1F)c1sc2c(c1SC)oc1c2occ1F)c1oc2c(c1F)oc1c2sc(c1SC)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F	


key: InChI
value:
  InChI=1S/C50H22F8N4O10S8/c1-63-32-14(54)10-77-44(32)19-27-25(59-71-61-27)17(21(55)42(19)73-3)29-12(52)8-16(67-29)41-50(76-6)39-48(79-41)37-33(69-39)23(57)35(70-37)46-24(58)34(64-2)45(80-46)20-28-26(60-72-62-28)18(22(56)43(20)74-4)30-11(51)7-15(66-30)40-49(75-5)38-47(78-40)36-31(68-38)13(53)9-65-36/h7-10H,1-6H3


key: SMILES
value:
  c1(c(c(cc2nonc12)OC)OC)c1c(c2c(c3c(cc2n1C)c(c(s3)c1c(c(c(c2c1non2)c1c(c2c(c3c(cc2n1C)c(cs3)F)SC)SC)OC)OC)F)SC)SC	


key: CAN_SMILES
value:
  COc1c(c2sc3c(c2F)cc2c(c3SC)c(SC)c(n2C)c2c(OC)c(OC)cc3c2non3)c2nonc2c(c1OC)c1c(SC)c2c(n1C)cc1c(c2SC)scc1F	


key: InChI
value:
  InChI=1S/C42H34F2N6O6S6/c1-49-19-11-15-17(43)14-61-36(15)41(59-9)22(19)39(57-7)32(49)25-29-30(48-56-47-29)26(35(54-6)34(25)53-5)38-27(44)16-12-20-23(42(60-10)37(16)62-38)40(58-8)31(50(20)2)24-28-18(45-55-46-28)13-21(51-3)33(24)52-4/h11-14H,1-10H3


key: InChI
value:
  InChI=1S/C20H17FN2OS5/c1-25-10-7-12(24-9-10)13-5-6-14(29-13)16-17-11(8-15(26-2)18(16)27-3)22-19(21)20(23-17)28-4/h5-9H,1-4H3


key: SMILES
value:
  c1(c2c(c([se]1)c1cc(c[se]1)F)C(=O)c1c(C2=O)cc(c(c1)OC)SC)c1cc(c(o1)c1ccc(c2c(cc(o2)c2c(cc(c3c4c(c([se]3)c3cc(c(o3)c3ccc(c5c(cco5)OC)s3)F)C(=O)c3c(C4=O)cc(c(c3)SC)OC)[se]2)F)OC)s1)F	


key: CAN_SMILES
value:
  COc1cc(oc1c1ccc(s1)c1oc(cc1F)c1[se]c(c2c1C(=O)c1cc(SC)c(cc1C2=O)OC)c1[se]cc(c1)F)c1[se]c(cc1F)c1[se]c(c2c1C(=O)c1cc(OC)c(cc1C2=O)SC)c1cc(c(o1)c1ccc(s1)c1occc1OC)F	


key: InChI
value:
  InChI=1S/C62H34F4O12S4Se4/c1-71-31-11-12-75-56(31)40-9-7-38(81-40)54-28(64)19-36(77-54)60-47-49(51(68)25-15-33(73-3)43(80-6)17-27(25)53(47)70)62(86-60)45-20-30(66)58(84-45)37-21-34(74-4)57(78-37)41-10-8-39(82-41)55-29(65)18-35(76-55)59-46-48(61(85-59)44-13-23(63)22-83-44)50(67)24-14-32(72-2)42(79-5)16-26(24)52(46)69/h7-22H,1-6H3


key: InChI
value:
  InChI=1S/C36H30F2N6O6/c1-15-12-39-25-20(41-15)10-9-18(37)22(25)28-33(47-7)36-30(44(28)4)34(48-8)31(50-36)17-11-19(38)23(26-24(17)42-16(2)13-40-26)29-32(46-6)35-27(43(29)3)21(45-5)14-49-35/h9-14H,1-8H3


key: InChI
value:
  InChI=1S/C33H31F2N3O2S5/c1-14-10-11-43-29(14)19-12-18(39-6)31(45-19)27-28(40-7)16(3)26(38(27)5)21-15(2)30(42-9)22(32-23(34)20(41-8)13-44-32)25-24(21)36-17(4)33(35)37-25/h10-13H,1-9H3


key: InChI
value:
  InChI=1S/C31H27F2N3O3S4/c1-14-8-11-42-29(14)17-12-16(37-4)30(43-17)26-27(38-5)15(2)25(36(26)3)19-21(32)22(33)20(24-23(19)34-9-10-35-24)28-31(41-7)18(40-6)13-39-28/h8-13H,1-7H3


key: InChI
value:
  InChI=1S/C38H38F2N4O3S4/c1-15-13-43(6)29-21(15)33(47-10)37-23(32(29)46-9)17(3)35(51-37)30-31(45-8)18(4)28(44(30)7)22-16(2)34(49-12)24(36-25(39)20(48-11)14-50-36)27-26(22)41-19(5)38(40)42-27/h13-14H,1-12H3


key: InChI
value:
  InChI=1S/C27H19F4N3O2S4/c1-10-20(34(2)21(22(10)35-3)26-17(31)27-24(40-26)11(28)9-39-27)13-15(29)16(30)14(19-18(13)32-6-7-33-19)23-25(38-5)12(37-4)8-36-23/h6-9H,1-5H3


key: SMILES
value:
  c1(cc(c(c2nn(nc12)C)c1c(c2c(c(cn2C)OC)n1C)SC)F)c1c(c2c(o1)c(c(n2C)c1c(c2c(c3c(cc2n1C)c(cs3)F)SC)SC)F)SC	


key: InChI
value:
  InChI=1S/C38H34F3N7O2S5/c1-44-13-20(49-6)26-29(44)37(53-9)27(46(26)3)21-17(39)11-16(24-25(21)43-48(5)42-24)32-38(54-10)31-33(50-32)23(41)28(47(31)4)30-35(51-7)22-19(45(30)2)12-15-18(40)14-55-34(15)36(22)52-8/h11-14H,1-10H3


key: InChI
value:
  InChI=1S/C31H27FGeN2O4S2Se/c1-12-11-38-27(28(12)40-7)20-23-22(35-31(37-6)15(4)34-23)19(13(2)24(20)36-5)25-14(3)21(32)26(39-25)18-10-17-29(41-18)30-16(33-17)8-9-42-30/h8-11H,33H2,1-7H3


key: InChI
value:
  InChI=1S/C30H25F2N3O3S3/c1-14-12-16(17-8-7-11-41-17)38-27(14)26-28(36-4)15(2)25(35(26)3)19-21(31)22(32)20(24-23(19)33-9-10-34-24)29-30(40-6)18(39-5)13-37-29/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C34H26N2O7S5/c1-37-19-10-16(40-31(19)33-23(44-3)7-8-48-33)17-11-21-32(41-17)34(47-6)29(43-21)15-9-24(45-4)26(28-27(15)36-25(46-5)13-35-28)18-12-20-30(42-18)22(38-2)14-39-20/h7-14H,1-6H3


key: InChI
value:
  InChI=1S/C25H12F4N2O5S4/c1-32-18-9(28)6-39-23(18)12-15-14(30-36-31-15)11(13(29)22(12)37-2)16-7(26)4-10(34-16)21-25(38-3)20-24(40-21)19-17(35-20)8(27)5-33-19/h4-6H,1-3H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1c(cc(c2c(cc(s2)c2ccc(c3c(c(c(c4c3nc(c(n4)c3cc(c(c(c3)F)OC)OC)c3ccc(c(c3)C)F)c3cc(c(s3)c3c(cc(c4c(ccs4)C)s3)OC)C)SC)OC)n2C)C)s1)OC)C	


key: CAN_SMILES
value:
  COc1cc(sc1c1sc(cc1C)c1c(SC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)OC)OC)c(n2)c1ccc(c(c1)C)F)c1cccn1C)c1sc(cc1C)c1ccc(n1C)c1c(OC)c(SC)c(c2c1nc(c1ccc(c(c1)C)F)c(n2)c1cc(F)c(c(c1)OC)OC)c1sc(c(c1)C)c1sc(cc1OC)c1sccc1C	


key: InChI
value:
  InChI=1S/C90H76F4N6O8S8/c1-41-27-29-111-83(41)65-39-60(103-11)87(115-65)85-45(5)33-64(113-85)70-78-76(96-72(48-22-24-52(92)43(3)31-48)74(98-78)50-36-54(94)80(106-14)59(38-50)102-10)68(82(108-16)90(70)110-18)57-26-25-55(100(57)8)62-32-44(4)84(112-62)66-40-61(104-12)88(116-66)86-46(6)34-63(114-86)69-77-75(67(56-20-19-28-99(56)7)81(107-15)89(69)109-17)95-71(47-21-23-51(91)42(2)30-47)73(97-77)49-35-53(93)79(105-13)58(37-49)101-9/h19-40H,1-18H3


key: SMILES
value:
  c1(cc(c(c2c1nc(cn2)SC)c1cc2c(o1)c(co2)OC)SC)c1c(c2c(o1)cc(o2)c1ccc(c2cc(c(n2C)c2c(c3c(cc(c4c(cc(c5c4ncc(n5)SC)c4c(c5c(o4)cc(o5)c4ccc(c5cc(cn5C)SC)s4)SC)SC)o3)o2)OC)SC)s1)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(cc(c2c1cc2c(o1)c(c(o2)c1c(SC)cc(n1C)c1ccc(s1)c1oc2c(c1)oc(c2SC)c1cc(SC)c(c2c1nc(SC)cn2)c1cc2c(o1)c(co2)OC)OC)SC)c1oc2c(c1SC)oc(c2)c1ccc(s1)c1cc(cn1C)SC	


key: InChI
value:
  InChI=1S/C68H52N6O10S10/c1-73-27-29(85-5)17-32(73)43-13-15-45(93-43)34-21-40-63(78-34)67(91-11)60(82-40)31-19-48(87-7)53(57-55(31)72-51(90-10)26-70-57)37-24-39-62(81-37)66(76-4)65(84-39)58-49(88-8)20-33(74(58)2)44-14-16-46(94-44)35-22-41-64(79-35)68(92-12)59(83-41)30-18-47(86-6)52(56-54(30)71-50(89-9)25-69-56)36-23-38-61(80-36)42(75-3)28-77-38/h13-28H,1-12H3


key: InChI
value:
  InChI=1S/C34H28F2N2O3S4/c1-17-12-24(25-8-7-11-45-25)41-32(17)28-31-22(16-27(43-5)33(28)40-3)37-30(19-13-20(35)34(44-6)21(36)14-19)29(38-31)18-9-10-23(39-2)26(15-18)42-4/h7-16H,1-6H3


key: InChI
value:
  InChI=1S/C32H28N6O2S6/c1-13-12-37(3)25-27(13)43-30(31(25)41-7)20-18(40-6)11-15(21-23(20)36-46-34-21)24-14(2)28-26(38(24)4)32(42-8)29(44-28)19-17(39-5)10-9-16-22(19)35-45-33-16/h9-12H,1-8H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(co1)SC)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1cc(c(c2c(cc(s2)c2c(cc(c3c4c(c(s3)c3cc(c(o3)c3cc(c(c5c(ccs5)SC)o3)OC)F)C(=O)c3c(C4=O)cc(c(c3)C)OC)o2)SC)SC)o1)OC)F	


key: CAN_SMILES
value:
  CSc1coc(c1)c1sc(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1oc(c(c1)F)c1oc(c(c1)OC)c1sc(cc1SC)c1oc(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1oc(c(c1)F)c1cc(c(o1)c1sccc1SC)OC	


key: InChI
value:
  InChI=1S/C66H44F2O14S8/c1-25-13-28-30(16-34(25)73-3)54(71)48-49(52(28)69)62(89-61(48)40-15-27(83-7)24-77-40)41-18-33(68)57(80-41)39-21-37(76-6)59(79-39)66-47(86-10)23-46(88-66)60-45(85-9)22-43(82-60)64-51-50(53(70)29-14-26(2)35(74-4)17-31(29)55(51)72)63(90-64)42-19-32(67)56(81-42)38-20-36(75-5)58(78-38)65-44(84-8)11-12-87-65/h11-24H,1-10H3


key: InChI
value:
  InChI=1S/C31H23F3N2O3S5/c1-37-20-7-6-14(10-21(20)40-3)25-26(15-8-16(32)29(42-5)17(33)9-15)35-19(11-24(38-2)41-4)27(36-25)22-12-23-31(43-22)28-30(44-23)18(34)13-39-28/h6-13H,1-5H3/b24-11+


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)c1c(c(c(n1C)c1cc2c(c3c(c(c(o3)c3c(c(c(c4cc(c(c5c4nsn5)c4c(c(c(n4C)c4cc5c(c6c(c(co6)F)o5)s4)C)SC)C)o3)F)SC)F)o2)s1)C)SC	


key: CAN_SMILES
value:
  CSc1c(oc(c1F)c1cc(C)c(c2c1nsn2)c1n(C)c(c(c1SC)C)c1cc2c(s1)c1c(o2)c(co1)F)c1oc2c(c1F)oc1c2sc(c1)c1n(C)c(c(c1C)SC)c1c(C)cc(c2c1nsn2)c1occ(c1F)SC	


key: InChI
value:
  InChI=1S/C54H36F4N6O6S8/c1-17-11-21(42-31(56)28(71-7)16-66-42)34-36(61-77-59-34)29(17)40-51(73-9)20(4)39(64(40)6)27-14-25-53(76-27)48-45(68-25)32(57)46(70-48)49-54(74-10)33(58)43(69-49)22-12-18(2)30(37-35(22)60-78-62-37)41-50(72-8)19(3)38(63(41)5)26-13-24-52(75-26)47-44(67-24)23(55)15-65-47/h11-16H,1-10H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)F)C)c1c(c2c(o1)c(cn2C)SC)C)SC)c1cc2c(o1)c(c(s2)c1ccc(c2cc(c(o2)c2c(c3c(c(c(c4cc(c(c5c4nc(c(n5)C)F)c4cc5c(o4)c(c(s5)c4ccc(c5cc(co5)SC)s4)SC)SC)o3)C)n2C)SC)SC)s1)SC	


key: CAN_SMILES
value:
  CSc1coc(c1)c1ccc(s1)c1sc2c(c1SC)oc(c2)c1c(SC)cc(c2c1nc(C)c(n2)F)c1oc2c(c1C)n(c(c2SC)c1oc(cc1SC)c1ccc(s1)c1sc2c(c1SC)oc(c2)c1c(SC)cc(c2c1nc(C)c(n2)F)c1oc2c(c1C)n(cc2SC)C)C	


key: InChI
value:
  InChI=1S/C70H54F2N6O6S12/c1-27-54-60(47(89-11)25-77(54)5)83-57(27)32-20-42(86-8)48(52-50(32)75-69(71)29(3)73-52)36-24-46-62(82-36)68(92-14)65(96-46)41-18-16-39(94-41)35-22-44(88-10)59(80-35)56-66(90-12)63-55(78(56)6)28(2)58(84-63)33-21-43(87-9)49(53-51(33)76-70(72)30(4)74-53)37-23-45-61(81-37)67(91-13)64(95-45)40-17-15-38(93-40)34-19-31(85-7)26-79-34/h15-26H,1-14H3


key: InChI
value:
  InChI=1S/C36H30N8O4S2/c1-15-9-10-18-27(39-43(5)37-18)24(15)19-12-22-30(42(19)4)34-35(47-22)36(50-8)31(48-34)17-11-16(2)25(28-26(17)38-44(6)40-28)20-13-21-29(41(20)3)33-32(46-21)23(49-7)14-45-33/h9-14H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)F)c1c(c(cs1)F)OC)SC)SC)c1c(c(c(n1C)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1)F)F	


key: InChI
value:
  InChI=1S/C47H36F5N3O2S6/c1-19-10-22(13-25(11-19)56-5)31-27-16-29(63-42(27)32(30-20(2)17-61-43(30)31)23-12-24(48)15-26(14-23)58-7)39-35(50)36(51)40(55(39)4)33-37-38(53-21(3)47(52)54-37)34(46(60-9)45(33)59-8)44-41(57-6)28(49)18-62-44/h10-18H,1-9H3


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)c1c(F)c(c(n1C)c1c(SC)c(SC)c(c2c1nc(F)c(n2)C)c1scc(c1OC)F)F	


key: InChI
value:
  InChI=1S/C30H20F2GeN2OS2/c1-15-24(37-2)14-22-28(25(15)23-13-21-29(36-23)30-20(33-21)10-11-38-30)35-26(16-6-4-3-5-7-16)27(34-22)17-8-9-18(31)19(32)12-17/h3-14H,33H2,1-2H3


key: InChI
value:
  InChI=1S/C31H24F3N3O5S3/c1-11-9-37(3)23-16(11)27(40-6)31-17(26(23)39-5)12(2)28(45-31)15-8-13(32)24(41-15)18-20(34)29(43-7)19(22-21(18)35-42-36-22)30-25(38-4)14(33)10-44-30/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C33H26F2N2O3S3/c1-17-12-24(22-10-7-11-40-22)43-33(17)27-29(35)26(42-5)16-21-32(27)37-31(19-14-23(39-3)28(34)25(15-19)41-4)30(36-21)18-8-6-9-20(13-18)38-2/h6-16H,1-5H3


key: InChI
value:
  InChI=1S/C27H19F2N3O3S4/c1-10-6-12(23-18(29)16(36-4)9-34-23)19-20(31-39-30-19)17(10)22-26(37-5)11(2)21(32(22)3)15-7-14-27(38-15)25-24(35-14)13(28)8-33-25/h6-9H,1-5H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)F)c1c(c(cs1)F)OC)SC)SC)c1c(c(c(n1C)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(c(s3)c1c(c(c(c2c(c(c(c3c2nc(c(n3)F)C)c2c(c(c(n2C)c2c(c3c(c4c(c(c3n2C)c2cc(c(cc2)C)C)c(cs4)SC)c2cc(c(c(c2)F)SC)OC)OC)F)F)SC)SC)s1)OC)F)SC)c1cc(c(c(c1)F)SC)OC)OC)F)F	


key: CAN_SMILES
value:
  COc1c(F)c(sc1c1c(SC)c(SC)c(c2c1nc(C)c(n2)F)c1c(F)c(c(n1C)c1n(C)c2c(c1OC)c(c1cc(F)c(c(c1)OC)SC)c1c(c2c2ccc(c(c2)C)C)c(SC)cs1)F)c1sc2c(c1SC)c(c1ccc(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)OC)SC)c(OC)c(n1C)c1n(C)c(c(c1F)F)c1c(SC)c(SC)c(c2c1nc(F)c(n2)C)c1scc(c1OC)F	


key: InChI
value:
  InChI=1S/C100H84F10N8O6S12/c1-37-25-27-43(29-39(37)3)53-57-52(125-17)36-134-88(57)55(45-31-47(101)86(126-18)50(33-45)119-11)58-74(53)115(7)80(83(58)122-14)78-67(106)66(105)77(118(78)10)62-71-73(112-42(6)100(110)114-71)64(96(132-24)94(62)130-22)91-85(124-16)69(108)97(136-91)98-92(128-20)60-54(44-28-26-38(2)40(4)30-44)75-59(56(89(60)135-98)46-32-48(102)87(127-19)51(34-46)120-12)84(123-15)81(116(75)8)79-68(107)65(104)76(117(79)9)61-70-72(111-41(5)99(109)113-70)63(95(131-23)93(61)129-21)90-82(121-13)49(103)35-133-90/h25-36H,1-24H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1oc2c3sc(cc3[GeH2]c2c1)c1cc(c(c2c1nc(c(n2)c1cc(ccc1)F)c1cc(c(c(c1)SC)OC)SC)c1oc2c3sccc3[GeH2]c2c1)F	


key: CAN_SMILES
value:
  CSc1cc(cc(c1OC)SC)c1nc2ccc(c(c2nc1c1cccc(c1)F)c1oc2c(c1)[GeH2]c1c2sc(c1)c1cc(F)c(c2c1nc(c1cc(SC)c(c(c1)SC)OC)c(n2)c1cccc(c1)F)c1oc2c(c1)[GeH2]c1c2scc1)F	


key: InChI
value:
  InChI=1S/C62H42F4Ge2N4O4S6/c1-73-59-44(77-3)19-29(20-45(59)78-4)52-50(27-9-7-11-31(63)17-27)71-55-40(69-52)14-13-34(65)48(55)41-25-38-58(76-41)62-39(68-38)26-43(82-62)33-23-35(66)49(42-24-37-57(75-42)61-36(67-37)15-16-81-61)56-54(33)70-53(51(72-56)28-10-8-12-32(64)18-28)30-21-46(79-5)60(74-2)47(22-30)80-6/h7-26H,67-68H2,1-6H3


key: InChI
value:
  InChI=1S/C32H24F2N2OS3/c1-17-14-24(37-31(17)32-25(38-3)12-13-40-32)27-18(2)26(39-4)16-23-30(27)36-28(19-8-6-5-7-9-19)29(35-23)20-10-11-21(33)22(34)15-20/h5-16H,1-4H3


key: InChI
value:
  InChI=1S/C18H12FN3O2S2/c1-23-12-5-9-16(20-7-13(22-9)25-2)14(15(12)19)11-6-10-17(24-11)18-8(21-10)3-4-26-18/h3-7,21H,1-2H3


key: SMILES
value:
  c1(c(c(cc2nonc12)OC)OC)c1cc2c(c3c(c(c(o3)c3c(c(c(c4c3non4)c3cc4c(c5c(c(co5)C)o4)n3C)OC)OC)C)o2)n1C	


key: InChI
value:
  InChI=1S/C36H28N6O10/c1-13-12-47-35-27-18(48-29(13)35)11-17(41(27)3)22-25-26(40-52-39-25)23(34(46-8)33(22)45-7)30-14(2)31-36(50-30)28-19(49-31)10-16(42(28)4)21-24-15(37-51-38-24)9-20(43-5)32(21)44-6/h9-12H,1-8H3


key: InChI
value:
  InChI=1S/C18H10F2N2O2S3/c1-25-17-18(26-2)22-13-8(3-7(19)4-10(13)21-17)12-5-11-16(27-12)15-14(24-11)9(20)6-23-15/h3-6H,1-2H3


key: InChI
value:
  InChI=1S/C20H16FN3O3S/c1-9-8-26-20-18-13(27-19(9)20)6-11(24(18)2)15-16(21)12(25-3)5-10-17(15)22-7-14(23-10)28-4/h5-8H,1-4H3


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1cc(c(c2c(cc(s2)c2ccc(c3c4c(c(o3)c3cc(c(s3)c3cc(c(c5c(ccs5)SC)o3)C)F)C(=O)c3c(C4=O)coc3F)[se]2)SC)o1)C)F	


key: CAN_SMILES
value:
  CSc1cc(sc1c1oc(cc1C)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1)c1ccc([se]1)c1oc(c2c1C(=O)c1c(C2=O)c(oc1)F)c1sc(c(c1)F)c1cc(c(o1)c1sccc1SC)C	


key: InChI
value:
  InChI=1S/C56H26F4O10S6Se2/c1-19-12-25(67-45(19)53-27(71-3)9-10-73-53)51-23(57)15-30(76-51)48-40-38(42(62)22-18-66-56(60)36(22)44(40)64)50(70-48)34-8-7-32(78-34)28-16-31(72-4)54(74-28)46-20(2)13-26(68-46)52-24(58)14-29(75-52)47-39-37(49(69-47)33-6-5-11-77-33)41(61)21-17-65-55(59)35(21)43(39)63/h5-18H,1-4H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)F)SC)SC)SC)c1c(c2c(c3c(c(c(o3)c3c(c(c(c4c3nc(c(n4)SC)F)c3c(c4c(c5c(c(co5)F)o4)s3)SC)SC)SC)F)o2)s1)SC	


key: CAN_SMILES
value:
  CSc1nc2c(nc1F)c(c(c(c2c1sc2c(c1SC)oc1c2occ1F)SC)SC)c1oc2c(c1F)oc1c2sc(c1SC)c1c(SC)c(SC)cc2c1nc(SC)c(n2)F	


key: InChI
value:
  InChI=1S/C40H26F4N4O4S10/c1-53-13-9-12-18(47-39(59-7)37(43)45-12)15(28(13)54-2)31-36(58-6)27-34(62-31)25-23(52-27)17(42)22(51-25)14-19-20(48-40(60-8)38(44)46-19)16(30(56-4)29(14)55-3)32-35(57-5)26-33(61-32)24-21(50-26)11(41)10-49-24/h9-10H,1-8H3


key: SMILES
value:
  c1(c2c(c([se]1)c1ccc[se]1)C(=O)c1c(C2=O)cc(c(c1)F)OC)c1cc(c([se]1)c1cc(c(c2c(cc(s2)c2ccc(c3c4c(c([se]3)c3cc(c([se]3)c3cc(c(c5c(ccs5)SC)o3)C)OC)C(=O)c3c(C4=O)cc(c(c3)OC)F)[se]2)SC)o1)C)OC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1oc(cc1C)c1[se]c(cc1OC)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)F)c1ccc[se]1)c1ccc([se]1)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)F)OC)c1[se]c(c(c1)OC)c1cc(c(o1)c1sccc1SC)C	


key: InChI
value:
  InChI=1S/C64H40F2O10S4Se6/c1-25-16-37(75-55(25)57-39(77-7)13-14-79-57)59-35(73-5)23-46(84-59)64-50-48(52(68)28-19-32(66)34(72-4)21-30(28)54(50)70)62(86-64)44-12-11-42(82-44)40-24-41(78-8)58(80-40)56-26(2)17-38(76-56)60-36(74-6)22-45(83-60)63-49-47(61(85-63)43-10-9-15-81-43)51(67)27-18-31(65)33(71-3)20-29(27)53(49)69/h9-24H,1-8H3


key: InChI
value:
  InChI=1S/C40H34N4O6S4/c1-19-16-28(24-10-9-15-49-24)53-36(19)31-27(46-4)18-21(32-34(31)44-40(52-8)38(42-32)48-6)23-13-14-25(50-23)29-17-20(2)35(54-29)30-26(45-3)12-11-22-33(30)43-39(51-7)37(41-22)47-5/h9-18H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1sc2c(c(c3c(c2c2ccc(s2)F)c(cs3)SC)c2cc(c(s2)OC)C)c1)F	


key: InChI
value:
  InChI=1S/C37H22F4N2O4S7/c1-13-8-20(54-37(13)45-3)23-14-9-19(53-33(14)24(18-6-7-22(40)52-18)25-21(48-4)12-51-34(23)25)17-10-15(38)31(46-17)26-28(41)35(49-5)27(30-29(26)42-47-43-30)36-32(44-2)16(39)11-50-36/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C36H26F4N2O5/c1-15-11-18(7-9-20(15)37)30-31(19-8-10-22(43-4)16(2)12-19)42-32-21(41-30)13-23(44-5)27(38)26(32)34-29(40)25-28(39)33-24(17(3)14-46-33)35(45-6)36(25)47-34/h7-14H,1-6H3


key: InChI
value:
  InChI=1S/C32H23F2N3O3S3/c1-38-17-7-5-6-15(10-17)28-29(16-11-22(39-2)26(33)23(12-16)41-3)37-30-19(36-28)14-24(42-4)27(34)25(30)21-13-20-31(40-21)32-18(35-20)8-9-43-32/h5-14,35H,1-4H3


key: InChI
value:
  InChI=1S/C37H30F3N3O2S3/c1-17-12-19(8-10-22(17)38)31-32(20-9-11-26(44-4)18(2)13-20)42-33-24(41-31)15-27(45-5)30(40)29(33)34-36(46-6)28-25(43(34)3)14-21-23(39)16-48-35(21)37(28)47-7/h8-16H,1-7H3


key: InChI
value:
  InChI=1S/C25H18F3N3O6S2/c1-31-18(22(34-4)23-19(31)12(32-2)7-35-23)11-6-9(26)20(36-11)13-15(28)24(38-5)14(17-16(13)29-37-30-17)25-21(33-3)10(27)8-39-25/h6-8H,1-5H3


key: InChI
value:
  InChI=1S/C30H20F2N2OSSeSi/c1-15-21(36-2)13-20-28(25(15)22-14-24-30(37-22)29-23(38-24)10-11-35-29)34-26(16-6-4-3-5-7-16)27(33-20)17-8-9-18(31)19(32)12-17/h3-14H,38H2,1-2H3


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(cs3)OC)c2ccc(cc2)C)c1C)F	


key: InChI
value:
  InChI=1S/C42H27F5N2O5S3/c1-16-7-9-19(10-8-16)28-26-18(3)36(53-39(26)27(29-25(50-4)15-57-40(28)29)20-11-17(2)32(46)21(43)12-20)24-13-22(44)37(52-24)30-33(47)41(55-6)31(35-34(30)48-54-49-35)42-38(51-5)23(45)14-56-42/h7-15H,1-6H3


key: CAN_SMILES
value:
  CSc1c(F)c(c2oc(cc2F)c2oc3c(c2C)c(c2ccc(cc2)C)c2c(c3c3cc(C)c(c(c3)F)F)c(OC)cs2)c2c(c1c1scc(c1OC)F)non2	


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)F)c1c(c(cs1)F)OC)SC)SC)c1c(c(c(n1C)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)F)F	


key: InChI
value:
  InChI=1S/C44H35F5N4OS8/c1-16-25-27(22-13-19(45)18(3)61-22)40-28(23(55-7)15-60-40)26(21-11-12-24(56-8)62-21)36(25)52(4)35(16)38-32(48)31(47)37(53(38)5)29-33-34(50-17(2)44(49)51-33)30(43(58-10)42(29)57-9)41-39(54-6)20(46)14-59-41/h11-15H,1-10H3


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)csc2c(c2c1n(C)c(c2C)c1n(C)c(c(c1F)F)c1c(SC)c(SC)c(c2c1nc(F)c(n2)C)c1scc(c1OC)F)c1sc(c(c1)F)C	


key: InChI
value:
  InChI=1S/C18H16FN3O3/c1-9-7-20-14-11(21-9)6-5-10(19)13(14)16-17(24-4)18-15(22(16)2)12(23-3)8-25-18/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C37H29F3N2O3S/c1-16-10-21(11-17(2)19(16)4)28-31-27(43-6)15-44-34(31)29(22-12-24(39)20(5)25(40)13-22)32-35(28)45-36(37(32)46-7)30-23(38)8-9-26-33(30)41-14-18(3)42-26/h8-15H,1-7H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cc(cc(c1)C)F)c1c(c2c(s1)c(cs2)F)F)SC)OC)c1c(c2c(c(c(s2)c2c(cc(c3cccs3)o2)C)F)n1C)F	


key: InChI
value:
  InChI=1S/C47H31F6N3O3S6/c1-18-11-20(14-22(48)12-18)34-35(21-15-25(57-4)30(50)27(16-21)60-6)55-37-29(43-33(53)47-42(64-43)23(49)17-63-47)44(61-7)41(58-5)28(36(37)54-34)38-31(51)45-39(56(38)3)32(52)46(65-45)40-19(2)13-24(59-40)26-9-8-10-62-26/h8-17H,1-7H3


key: CAN_SMILES
value:
  COc1c(SC)c(c2c(c1c1n(C)c3c(c1F)sc(c3F)c1oc(cc1C)c1cccs1)nc(c(n2)c1cc(OC)c(c(c1)SC)F)c1cc(C)cc(c1)F)c1sc2c(c1F)scc2F	


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1ccc(c(c1)C)F)c1ccc(c(c1)C)OC)OC)F)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1	


key: InChI
value:
  InChI=1S/C50H39F3N2O3S3/c1-24-13-30(18-33(14-24)56-5)42-35-21-40(61-49(35)43(41-27(4)23-60-50(41)42)31-17-32(51)20-34(19-31)59-8)44-45(53)39(58-7)22-37-48(44)55-47(29-10-12-38(57-6)26(3)16-29)46(54-37)28-9-11-36(52)25(2)15-28/h9-23H,1-8H3


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)c1c(F)c(OC)cc2c1nc(c1ccc(c(c1)C)OC)c(n2)c1ccc(c(c1)C)F	


key: InChI
value:
  InChI=1S/C37H30F3N3O2S4/c1-17-12-18(8-9-26(17)44-3)27-21-10-11-43(2)31(21)28(19-13-23(39)32(45-4)24(40)14-19)29-34(27)49-33(35(29)46-5)22-15-20(38)16-25-30(22)42-37(48-7)36(41-25)47-6/h8-16H,1-7H3


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F)F	


key: InChI
value:
  InChI=1S/C41H32F4N4O4S5/c1-15-10-22(58-17(15)3)26-27-30(44)34(49(5)35(27)25(24-16(2)13-51-38(24)26)20-12-23(54-7)41(56-9)48(20)4)21-11-18(42)36(52-21)28-31(45)39(55-8)29(33-32(28)46-53-47-33)40-37(50-6)19(43)14-57-40/h10-14H,1-9H3


key: CAN_SMILES
value:
  CSc1c(SC)cc(n1C)c1c2c(C)coc2c(c2c1n(C)c(c2F)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F)c1cc(c(s1)C)C	


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C	


key: InChI
value:
  InChI=1S/C46H36F3N3OS7/c1-21-35-38(30-19-27(49)22(2)59-30)46-39(33(56-7)20-58-46)37(29-14-15-34(57-8)60-29)44(35)52(3)43(21)36-26(48)12-13-28-42(36)51-40(23-10-9-11-25(47)16-23)41(50-28)24-17-31(54-5)45(53-4)32(18-24)55-6/h9-20H,1-8H3


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)csc2c(c2c1n(C)c(c2C)c1c(F)ccc2c1nc(c1cccc(c1)F)c(n2)c1cc(SC)c(c(c1)SC)OC)c1cc(c(s1)C)F	


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1cc2c(c3c(c(co3)C)o2)n1C)OC)F	


key: InChI
value:
  InChI=1S/C44H34F4N4O4S4/c1-19-17-54-43-38-25(56-40(19)43)16-24(51(38)2)37-42(53-4)32(48)39(52(37)3)28-31(47)44(60-8)29(41-30(46)27(59-7)18-55-41)36-35(28)50-34(21-11-14-23(45)26(15-21)58-6)33(49-36)20-9-12-22(57-5)13-10-20/h9-18H,1-8H3


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3occ(c3F)SC)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1n(C)c(c(c1F)OC)c1cc2c(n1C)c1c(o2)c(co1)C)F	


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)C1=NCC(=C([C@H]1SC)C)c1c(c2c(c(c(s2)c2c(c(c(c3cc(c(c4c3nsn4)C3=C([C@@H]([C@@]4(N3C4)c3c(c4c(c(cs4)C)n3C)OC)C)SC)C)o2)F)SC)C)n1C)OC	


key: CAN_SMILES
value:
  CS[C@@H]1C(=C(CN=C1c1c(C)cc(c2c1nsn2)c1occ(c1F)SC)c1c(OC)c2c(n1C)c(c(s2)c1oc(c(c1SC)F)c1cc(C)c(c2c1nsn2)C1=C(SC)[C@@H]([C@@]2(N1C2)c1c(OC)c2c(n1C)c(cs2)C)C)C)C	


key: InChI
value:
  InChI=1S/C56H52F2N8O4S8/c1-21-15-27(44-33(57)30(71-11)18-69-44)35-37(62-77-60-35)31(21)39-49(72-12)24(4)29(17-59-39)42-46(67-9)54-41(64(42)7)25(5)50(76-54)47-52(74-14)34(58)45(70-47)28-16-22(2)32(38-36(28)61-78-63-38)43-51(73-13)26(6)56(20-66(43)56)55-48(68-10)53-40(65(55)8)23(3)19-75-53/h15-16,18-19,26,49H,17,20H2,1-14H3/t26-,49+,56+,66-/m0/s1


key: InChI
value:
  InChI=1S/C34H33FN6O5S3/c1-14-22-29(46-27(14)26-30(44-8)31-23(40(26)4)16(42-6)13-45-31)19(35)24(39(22)3)17-20-21(37-41(5)36-20)18(33(47-9)28(17)43-7)25-34(48-10)32-15(38(25)2)11-12-49-32/h11-13H,1-10H3


key: SMILES
value:
  c1(c2c(c([se]1)c1cc(c[se]1)F)C(=O)c1c(C2=O)cc(c(c1)OC)SC)c1cc(c(o1)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(c(s3)c1c(cc(c2c3c(c([se]2)c2cc(c(o2)c2c(c4c(c5c(c(c4n2C)c2cc(c(cc2)C)C)c(cs5)SC)c2cc(c(c(c2)F)SC)OC)OC)F)C(=O)c2c(C3=O)cc(c(c2)SC)OC)[se]1)F)SC)c1cc(c(c(c1)F)SC)OC)OC)F	


key: CAN_SMILES
value:
  CSc1c(F)cc(cc1OC)c1c2sc(c(c2c(c2c1c(OC)c(n2C)c1oc(cc1F)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)SC)OC)c1[se]cc(c1)F)c1ccc(c(c1)C)C)SC)c1[se]c(cc1F)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)SC)c1cc(c(o1)c1n(C)c2c(c1OC)c(c1cc(F)c(c(c1)OC)SC)c1c(c2c2ccc(c(c2)C)C)c(SC)cs1)F	


key: InChI
value:
  InChI=1S/C102H74F6N2O12S8Se4/c1-39-19-21-43(23-41(39)3)68-72-65(125-15)37-129-94(72)70(45-25-54(106)92(126-16)59(27-45)117-9)73-80(68)109(5)82(90(73)119-11)88-53(105)35-62(122-88)100-76-78(85(112)49-31-58(116-8)64(124-14)33-51(49)87(76)114)102(134-100)67-36-56(108)98(132-67)97-96(128-18)79-69(44-22-20-40(2)42(4)24-44)81-74(71(95(79)130-97)46-26-55(107)93(127-17)60(28-46)118-10)91(120-12)83(110(81)6)89-52(104)34-61(121-89)99-75-77(101(133-99)66-29-47(103)38-131-66)84(111)48-30-57(115-7)63(123-13)32-50(48)86(75)113/h19-38H,1-18H3


key: SMILES
value:
  C(=C(\c1c(nc(c(n1)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1c(c2c(s1)c(c(o2)c1ccc(c2cc(cn2C)SC)s1)SC)C)/c1cc2c(s1)ccs2)\OC	


key: InChI
value:
  InChI=1S/C48H42FN3O3S8/c1-23-15-26(17-30(49)42(23)54-6)38-39(27-16-24(2)45(58-9)37(18-27)57-8)50-40(29(22-53-5)35-20-36-33(62-35)13-14-60-36)41(51-38)46-25(3)43-48(63-46)47(59-10)44(55-43)34-12-11-32(61-34)31-19-28(56-7)21-52(31)4/h11-22H,1-10H3/b29-22-


key: CAN_SMILES
value:
  CO/C=C(\c1nc(c2cc(C)c(c(c2)SC)SC)c(nc1c1sc2c(c1C)oc(c2SC)c1ccc(s1)c1cc(cn1C)SC)c1cc(C)c(c(c1)F)OC)/c1sc2c(c1)scc2	


key: SMILES
value:
  C(=C(\c1c(nc(c(n1)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1c(c2c(s1)c(c(o2)c1cc(c(c2c(ccn2C)F)s1)SC)SC)C)/c1cc2c(s1)ccs2)\OC	


key: InChI
value:
  InChI=1S/C48H41F2N3O3S8/c1-22-15-25(17-29(50)41(22)55-6)36-37(26-16-23(2)44(59-9)34(18-26)57-7)51-38(27(21-54-5)31-19-32-30(62-31)12-14-61-32)39(52-36)45-24(3)42-48(64-45)47(60-10)43(56-42)33-20-35(58-8)46(63-33)40-28(49)11-13-53(40)4/h11-21H,1-10H3/b27-21-


key: CAN_SMILES
value:
  CO/C=C(\c1nc(c2cc(C)c(c(c2)SC)SC)c(nc1c1sc2c(c1C)oc(c2SC)c1sc(c(c1)SC)c1c(F)ccn1C)c1cc(C)c(c(c1)F)OC)/c1sc2c(c1)scc2	


key: InChI
value:
  InChI=1S/C35H29N3O5S5/c1-16-10-25(30-23(44-4)8-9-38(30)2)48-34(16)21-13-20-33(43-21)35(47-7)31(42-20)17-11-24(45-5)27(29-28(17)37-26(46-6)14-36-29)18-12-19-32(41-18)22(39-3)15-40-19/h8-15H,1-7H3


key: InChI
value:
  InChI=1S/C33H30FN3O6S/c1-13-11-41-31-25-19(42-26(13)31)10-18(37(25)6)29-22(34)16(4)28(43-29)20-15(3)27(38-7)21(30-32(44-9)14(2)12-40-30)24-23(20)36-33(39-8)17(5)35-24/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C35H28FN3O3S6/c1-15-29-31(25(45-6)13-39(29)3)42-30(15)18-11-23(44-5)26(28-27(18)38-35(36)16(2)37-28)20-12-24-32(41-20)34(46-7)33(48-24)22-9-8-21(47-22)19-10-17(43-4)14-40-19/h8-14H,1-7H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(c(s3)c1cc(c(c2c1nc(c(n2)c1cc(ccc1)F)c1cc(c(c(c1)SC)OC)SC)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)F)SC)c1cc(c(s1)C)F)C	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)c(sc2c(c2c1n(C)c(c2C)c1c(F)ccc2c1nc(c1cccc(c1)F)c(n2)c1cc(SC)c(c(c1)SC)OC)c1cc(c(s1)C)F)c1cc(F)c(c2c1nc(c1cc(SC)c(c(c1)SC)OC)c(n2)c1cccc(c1)F)c1c(C)c2c(n1C)c(c1ccc(s1)SC)c1c(c2c2cc(c(s2)C)F)scc1SC	


key: InChI
value:
  InChI=1S/C92H70F6N6O2S14/c1-39-66-72(57-36-51(96)41(3)116-57)90-74(63(111-13)38-115-90)70(55-25-27-64(112-14)118-55)85(66)104(6)84(39)69-53(98)35-49(80-82(69)102-77(44-20-18-22-48(94)30-44)79(100-80)46-33-61(109-11)88(106-8)62(34-46)110-12)89-92(114-16)75-71(56-26-28-65(113-15)119-56)86-67(73(91(75)120-89)58-37-52(97)42(4)117-58)40(2)83(103(86)5)68-50(95)23-24-54-81(68)101-76(43-19-17-21-47(93)29-43)78(99-54)45-31-59(107-9)87(105-7)60(32-45)108-10/h17-38H,1-16H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cn1C)C)OC)C)c1c(c(c(o1)c1cc2c(c3c(c(c(o3)c3c(c(c(c4cc(c(c5c4nn(n5)C)c4c(c(c(o4)c4cc5c(c6c(c(co6)F)o5)s4)F)C)C)n3C)OC)C)F)o2)s1)F)C	


key: CAN_SMILES
value:
  COc1c(C)c(n(c1c1cc(C)c(c2c1nn(n2)C)c1oc(c(c1C)F)c1cc2c(s1)c1c(o2)c(co1)F)C)c1oc2c(c1F)oc1c2sc(c1)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)cc(c1OC)C	


key: InChI
value:
  InChI=1S/C56H42F4N8O8S2/c1-19-13-25(42-44(69-11)21(3)17-65(42)7)37-39(63-67(9)61-37)32(19)45-23(5)35(59)50(75-45)31-16-29-56(78-31)54-52(73-29)36(60)51(76-54)41-24(6)47(70-12)43(66(41)8)26-14-20(2)33(40-38(26)62-68(10)64-40)46-22(4)34(58)49(74-46)30-15-28-55(77-30)53-48(72-28)27(57)18-71-53/h13-18H,1-12H3


key: InChI
value:
  InChI=1S/C20H18N2O3S2/c1-11-10-15(13-6-5-9-25-13)27-18(11)16-14(23-2)8-7-12-17(16)22-20(26-4)19(21-12)24-3/h5-10H,1-4H3


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)c1c(c(c(n1C)c1oc2c3sc(cc3[GeH2]c2c1)c1c(c(c(c2cc(c(c3c2nsn3)c2c(c(c(n2C)c2oc3c4sccc4[GeH2]c3c2)C)SC)C)o1)F)SC)C)SC	


key: CAN_SMILES
value:
  CSc1c(oc(c1F)c1cc(C)c(c2c1nsn2)c1n(C)c(c(c1SC)C)c1cc2c(o1)c1c([GeH2]2)ccs1)c1cc2c(s1)c1c([GeH2]2)cc(o1)c1n(C)c(c(c1C)SC)c1c(C)cc(c2c1nsn2)c1occ(c1F)SC	


key: InChI
value:
  InChI=1S/C54H42F2Ge2N6O4S8/c1-19-13-23(45-35(55)32(69-7)18-65-45)37-39(61-75-59-37)33(19)43-51(71-9)22(4)42(64(43)6)30-16-27-48(67-30)53-28(58-27)17-31(74-53)49-54(72-10)36(56)46(68-49)24-14-20(2)34(40-38(24)60-76-62-40)44-50(70-8)21(3)41(63(44)5)29-15-26-47(66-29)52-25(57-26)11-12-73-52/h11-18H,57-58H2,1-10H3


key: InChI
value:
  InChI=1S/C37H35FN4O2S3/c1-18-10-12-21(14-20(18)3)28-30-26(45-8)17-47-37(30)29(22-15-23(38)36(46-9)25(16-22)43-6)31-33(28)41(4)34(35(31)44-7)27-19(2)11-13-24-32(27)40-42(5)39-24/h10-17H,1-9H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)F)C)c1cc(cc(c1)OC)SC)c1c(c(cn1C)OC)SC)SC)SC)c1ccc(o1)c1c(c2c(c(c(s2)c2c(c(c(c3c(c(c(c4c3nc(c(n4)c3cc(cc(c3)OC)SC)c3cc(c(c(c3)C)F)C)c3ccc(o3)c3c(c4c(c(cs4)F)s3)F)SC)SC)n2C)SC)OC)F)s1)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C86H70F6N6O6S12/c1-35-23-39(24-36(2)57(35)88)62-64(41-27-43(99-7)31-45(29-41)105-11)93-66-53(78(108-14)80(110-16)55(68(66)95-62)70-77(107-13)52(101-9)33-97(70)5)48-20-22-51(104-48)76-60(91)84-85(115-76)61(92)82(116-84)72-73(102-10)86(112-18)71(98(72)6)56-69-67(54(79(109-15)81(56)111-17)49-19-21-50(103-49)75-59(90)83-74(114-75)47(87)34-113-83)94-65(42-28-44(100-8)32-46(30-42)106-12)63(96-69)40-25-37(3)58(89)38(4)26-40/h19-34H,1-18H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1ccc(c(c1)SC)OC)SC)OC)c1cc(c(c2c(cc(n2C)c2c(c(c(c3c2nc(c(n3)c2ccc(c(c2)SC)OC)c2cc(c(c(c2)F)SC)F)c2cc(c(c3c(ccn3C)F)s2)SC)OC)SC)F)s1)SC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1c(F)cc(n1C)c1c(SC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1ccc(c(c1)SC)OC)c1sc(c(c1)SC)c1c(F)ccn1C)c1c(OC)c(SC)cc2c1nc(c1ccc(c(c1)SC)OC)c(n2)c1cc(F)c(c(c1)F)SC	


key: InChI
value:
  InChI=1S/C70H58F6N6O4S10/c1-81-20-19-35(71)62(81)68-50(90-10)30-48(95-68)54-61-60(80-58(34-23-39(75)67(93-13)40(76)24-34)56(79-61)32-16-18-44(84-4)46(26-32)88-8)52(70(94-14)65(54)86-6)42-27-36(72)63(82(42)2)69-51(91-11)29-47(96-69)53-59-41(28-49(89-9)64(53)85-5)77-57(33-21-37(73)66(92-12)38(74)22-33)55(78-59)31-15-17-43(83-3)45(25-31)87-7/h15-30H,1-14H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1oc2c(c(c3c(c2OC)c(c(o3)c2ccc(c3c(c(c(c4c3nc(c(n4)c3cc(c(c(c3)F)OC)OC)c3ccc(c(c3)C)F)c3cc(c(s3)c3oc4c(c(c5c(c4OC)c(co5)C)F)c3F)C)SC)OC)n2C)C)F)c1F)C	


key: CAN_SMILES
value:
  COc1cc(cc(c1OC)F)c1nc2c(c3cc(c(s3)c3oc4c(c3F)c(F)c3c(c4OC)c(C)co3)C)c(SC)c(c(c2nc1c1ccc(c(c1)C)F)c1ccc(n1C)c1oc2c(c1C)c(OC)c1c(c2F)c(F)c(o1)c1sc(cc1C)c1c(SC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)OC)OC)c(n2)c1ccc(c(c1)C)F)c1cccn1C)OC	


key: InChI
value:
  InChI=1S/C94H72F8N6O12S4/c1-37-28-43(21-23-47(37)95)70-72(45-32-49(97)79(111-11)54(34-45)109-9)105-76-62(93(121-17)87(115-15)60(74(76)103-70)51-20-19-27-107(51)7)56-30-40(4)92(123-56)90-69(102)65-67(100)82-59(84(114-14)86(65)120-90)42(6)78(118-82)53-26-25-52(108(53)8)61-75-77(106-73(46-33-50(98)80(112-12)55(35-46)110-10)71(104-75)44-22-24-48(96)38(2)29-44)63(94(122-18)88(61)116-16)57-31-39(3)91(124-57)89-68(101)64-66(99)81-58(41(5)36-117-81)83(113-13)85(64)119-89/h19-36H,1-18H3


key: InChI
value:
  InChI=1S/C35H30F3N3O2S5/c1-41-11-10-19(36)32(41)35-27(46-6)16-25(48-35)28-31-22(15-26(45-5)33(28)43-3)39-30(18-12-20(37)34(47-7)21(38)13-18)29(40-31)17-8-9-23(42-2)24(14-17)44-4/h8-16H,1-7H3


key: SMILES
value:
  C(=C(\c1c(nc(c(n1)F)C)c1cc2c(o1)c(c(s2)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)c(co3)OC)c2cc(c(c(c2)F)C)F)c1SC)SC)/c1c(c2c(o1)c(cn2C)SC)C)\SC	


key: InChI
value:
  InChI=1S/C52H44F3N3O5S5/c1-21-13-27(14-22(2)23(21)3)36-38-33(59-8)19-60-46(38)37(28-15-30(53)24(4)31(54)16-28)39-47(36)63-48(49(39)66-11)51-50(67-12)45-34(68-51)17-32(61-45)41-40(57-52(55)26(6)56-41)29(20-64-9)43-25(5)42-44(62-43)35(65-10)18-58(42)7/h13-20H,1-12H3/b29-20+


key: CAN_SMILES
value:
  CS/C=C(/c1oc2c(c1C)n(cc2SC)C)\c1nc(F)c(nc1c1oc2c(c1)sc(c2SC)c1oc2c(c1SC)c(c1cc(F)c(c(c1)F)C)c1c(c2c2cc(C)c(c(c2)C)C)c(OC)co1)C	


key: InChI
value:
  InChI=1S/C33H26FN3O5S3/c1-13-11-19(18-9-8-10-39-18)44-32(13)25-16(4)27-24(37(25)5)15(3)26(41-27)21-23-22(35-45-36-23)20(14(2)33(21)43-7)29-30(38-6)31-28(42-29)17(34)12-40-31/h8-12H,1-7H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1c(c2c(c(cs2)F)s1)F)SC)C	


key: InChI
value:
  InChI=1S/C46H33F3N2O3S8/c1-18-11-21(13-24(47)37(18)53-5)33-34(22-12-19(2)40(56-7)30(14-22)55-6)50-35-23(28-16-29-27(60-28)9-10-58-29)15-26(52-4)31(36(35)51-33)41-20(3)38-46(61-41)45(57-8)39(54-38)43-32(49)44-42(62-43)25(48)17-59-44/h9-17H,1-8H3


key: CAN_SMILES
value:
  COc1cc(c2cc3c(s2)ccs3)c2c(c1c1sc3c(c1C)oc(c3SC)c1sc3c(c1F)scc3F)nc(c(n2)c1cc(C)c(c(c1)SC)SC)c1cc(C)c(c(c1)F)OC	


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)F)C)c1c(c2c(o1)c(cn2C)SC)C)SC)c1cc2c(o1)c(c(s2)c1sc2c(c(c3c(c2c2ccc(s2)F)c(cs3)SC)c2cc(c(s2)OC)C)c1)SC	


key: InChI
value:
  InChI=1S/C47H35F2N3O3S9/c1-18-12-26(64-47(18)53-5)32-21-13-28(63-42(21)34(24-10-11-31(48)61-24)35-30(58-8)17-60-44(32)35)43-45(59-9)41-27(62-43)15-23(54-41)33-25(56-6)14-22(36-37(33)50-20(3)46(49)51-36)39-19(2)38-40(55-39)29(57-7)16-52(38)4/h10-17H,1-9H3


key: CAN_SMILES
value:
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key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)OC)c1c(c2c(c(co2)C)n1C)SC)C)SC)c1c(c2c(s1)c(c(n2C)c1c(c2c(cco2)n1C)OC)SC)F	


key: InChI
value:
  InChI=1S/C37H36FN5O5S4/c1-15-14-48-30-23(15)42(4)24(33(30)50-10)18-16(2)31(49-9)19(22-21(18)39-36(45-7)37(40-22)46-8)32-20(38)25-35(52-32)34(51-11)27(43(25)5)26-29(44-6)28-17(41(26)3)12-13-47-28/h12-14H,1-11H3


key: SMILES
value:
  c1(cc(c(c2c1nc(cn2)SC)c1cc2c(o1)c(co2)OC)SC)c1c(c2c(o1)cc(o2)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)ccs3)c2cc(c(F)n2C)OC)c1OC)SC	


key: InChI
value:
  InChI=1S/C47H36FN3O9S5/c1-19-30(61-6)16-24(56-19)33-20-10-11-65-45(20)34(22-13-28(52-3)47(48)51(22)2)36-43(33)60-41(44(36)54-5)26-15-27-42(59-26)46(64-9)39(58-27)21-12-31(62-7)35(38-37(21)50-32(63-8)17-49-38)23-14-25-40(57-23)29(53-4)18-55-25/h10-18H,1-9H3


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(cc(c2c1cc2c(o1)c(co2)OC)SC)c1oc2c(c1SC)oc(c2)c1oc2c(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)ccs1	


key: InChI
value:
  InChI=1S/C34H30FN5O2S6/c1-15-25-30(42-28(15)18-14-19(43-6)32(48-18)17-10-9-12-46-17)22(35)26(39(25)3)20-23-24(37-40(4)36-23)21(33(44-7)29(20)41-5)27-34(45-8)31-16(38(27)2)11-13-47-31/h9-14H,1-8H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1ccc(c(c1)C)F)c1ccc(c(c1)C)OC)OC)F)c1c(c2c(c3c(cc2n1C)c(c(s3)c1c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)OC)c1ccc(c(c1)C)F)c1c(c2c(c3c(cc2n1C)c(cs3)F)SC)SC)F)OC)F)SC)SC	


key: CAN_SMILES
value:
  COc1ccc(cc1C)c1nc2c(nc1c1ccc(c(c1)C)F)c(c1sc3c(c1F)cc1c(c3SC)c(SC)c(n1C)c1c(F)c(OC)cc3c1nc(c1ccc(c(c1)C)OC)c(n3)c1ccc(c(c1)C)F)c(c(c2c1c(SC)c2c(n1C)cc1c(c2SC)scc1F)F)OC	


