# text_key_values

key: InChI
value:
  InChI=1S/C34H29FN6O2S4Se/c1-13-19(25-32(45-7)26-24(40(25)4)18(44-6)12-39(26)3)22-23(38-41(5)37-22)20(21(13)35)31-33(46-8)29-30(47-31)14(2)27(43-29)17-11-16-28(42-17)34-15(36-16)9-10-48-34/h9-12,36H,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)c1c(c2c(c(cs2)F)s1)F)F	


key: InChI
value:
  InChI=1S/C47H34F5N3O5S5/c1-17-15-61-47-40(60-9)44(64-41(17)47)30-36-35(53-34(21-12-26(56-5)19(3)27(13-21)57-6)33(54-36)20-10-22(48)18(2)23(49)11-20)29(38(58-7)39(30)59-8)28-14-25-43(63-28)31(51)37(55(25)4)45-32(52)46-42(65-45)24(50)16-62-46/h10-16H,1-9H3


key: CAN_SMILES
value:
  COc1c(OC)c(c2c(c1c1cc3c(s1)c(c(n3C)c1sc3c(c1F)scc3F)F)nc(c(n2)c1cc(F)c(c(c1)F)C)c1cc(OC)c(c(c1)OC)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)c1c(c2c(cco2)n1C)OC)F	


key: CAN_SMILES
value:
  COc1cc(cc(c1C)OC)c1nc2c(c3sc4c(c3)n(c(c4F)c3c(OC)c4c(n3C)cco4)C)c(OC)c(c(c2nc1c1cc(F)c(c(c1)F)C)c1sc2c(c1OC)scc2C)OC	


key: InChI
value:
  InChI=1S/C49H41F3N4O7S3/c1-20-19-64-49-45(62-11)48(66-46(20)49)33-38-37(53-36(24-16-29(57-6)22(3)30(17-24)58-7)35(54-38)23-14-25(50)21(2)26(51)15-23)32(42(59-8)43(33)60-9)31-18-28-47(65-31)34(52)39(56(28)5)40-44(61-10)41-27(55(40)4)12-13-63-41/h12-19H,1-11H3


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(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC)OC)OC	


key: InChI
value:
  InChI=1S/C47H41F3N4O5S5/c1-20-12-13-22(14-21(20)2)30-33-29(60-9)19-64-47(33)31(23-15-26(49)45(61-10)28(16-23)55-5)34-37(30)53(3)38(39(34)56-6)41-43(58-8)42(57-7)40(59-41)32-25(48)17-24(35-36(32)52-54(4)51-35)44-46(62-11)27(50)18-63-44/h12-19H,1-11H3


key: CAN_SMILES
value:
  COc1c(OC)c(oc1c1c(OC)c2c(n1C)c(c1ccc(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)OC)SC)scc1SC)c1c(F)cc(c2c1nn(n2)C)c1scc(c1SC)F	


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)c1ccc(c2cc(co2)SC)s1)F	


key: CAN_SMILES
value:
  CSc1coc(c1)c1ccc(s1)c1c(F)c2c(n1C)cc(s2)c1c(SC)c(C)c(c2c1nc(c1cc(C)cc(c1)C)c(n2)c1ccc(c(c1)OC)C)c1c(F)c2c(n1C)c(cs2)SC	


key: InChI
value:
  InChI=1S/C50H42F2N4O2S6/c1-23-15-24(2)17-28(16-23)42-41(27-12-11-25(3)31(18-27)57-7)53-43-37(47-40(52)50-46(56(47)6)36(60-9)22-62-50)26(4)48(61-10)38(44(43)54-42)35-20-30-49(64-35)39(51)45(55(30)5)34-14-13-33(63-34)32-19-29(59-8)21-58-32/h11-22H,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(cc(c2c(ccn2C)SC)o1)OC)F	


key: InChI
value:
  InChI=1S/C52H47F2N5O3S5/c1-24-17-25(2)19-29(18-24)42-41(28-14-13-26(3)31(20-28)60-8)55-43-37(47-39(53)52-46(59(47)7)36(64-11)23-66-52)27(4)50(65-12)38(44(43)56-42)35-21-30-51(67-35)40(54)48(58(30)6)49-33(61-9)22-32(62-49)45-34(63-10)15-16-57(45)5/h13-23H,1-12H3


key: CAN_SMILES
value:
  COc1cc(oc1c1c(F)c2c(n1C)cc(s2)c1c(SC)c(C)c(c2c1nc(c1cc(C)cc(c1)C)c(n2)c1ccc(c(c1)OC)C)c1c(F)c2c(n1C)c(cs2)SC)c1c(SC)ccn1C	


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(c3c(ccn3C)SC)o2)OC)F)n1C)F	


key: InChI
value:
  InChI=1S/C49H36F6N4O4S6/c1-19-12-20(14-22(50)13-19)35-36(21-15-24(60-4)31(52)28(16-21)65-8)57-38-30(45-34(55)49-44(68-45)23(51)18-67-49)46(66-9)43(62-6)29(37(38)56-35)40-32(53)47-41(59(40)3)33(54)48(69-47)42-26(61-5)17-25(63-42)39-27(64-7)10-11-58(39)2/h10-18H,1-9H3


key: CAN_SMILES
value:
  COc1cc(oc1c1sc2c(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)c1c(SC)ccn1C	


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


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(c3c(c4c(c(c3n2C)c2cc(c(cc2)C)C)c(cs4)SC)c2cc(c(c(c2)F)SC)OC)OC)F)n1C)F	


key: InChI
value:
  InChI=1S/C67H51F7N4O4S8/c1-26-16-31(19-33(68)17-26)50-51(32-22-36(79-6)46(71)38(23-32)83-10)76-53-45(63-49(74)67-61(89-63)35(70)24-87-67)64(86-13)59(82-9)44(52(53)75-50)55-47(72)65-56(78(55)5)48(73)66(90-65)57-58(81-8)43-41(30-20-34(69)60(85-12)37(21-30)80-7)62-42(39(84-11)25-88-62)40(54(43)77(57)4)29-15-14-27(2)28(3)18-29/h14-25H,1-13H3


key: CAN_SMILES
value:
  COc1cc(cc(c1SC)F)c1c2scc(c2c(c2c1c(OC)c(n2C)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)c1ccc(c(c1)C)C)SC	


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)c2sc3c(c(c4c(c3c3cc(cc(c3)F)SC)c(cs4)C)c3cc(cc(c3)C)OC)c2)F)n1C)F	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)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	


key: InChI
value:
  InChI=1S/C64H44F7N3O3S8/c1-25-12-30(16-32(65)13-25)50-51(31-19-38(76-6)46(68)39(20-31)79-9)73-53-45(61-49(71)64-58(84-61)37(67)24-82-64)62(80-10)56(77-7)44(52(53)72-50)54-47(69)63-55(74(54)4)48(70)59(85-63)40-22-36-42(28-11-26(2)14-34(17-28)75-5)60-41(27(3)23-81-60)43(57(36)83-40)29-15-33(66)21-35(18-29)78-8/h11-24H,1-10H3


key: InChI
value:
  InChI=1S/C31H22O4S6Se/c1-13-9-16(35-27(13)18-11-19(37-4)29(40-18)17-7-6-8-39-17)28-22-23(30(41-28)20-10-15(36-3)12-42-20)26(33)24-21(25(22)32)14(2)34-31(24)38-5/h6-12H,1-5H3


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(ccn2C)SC)o1)OC)SC)OC	


key: CAN_SMILES
value:
  COc1cc(oc1c1c(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)c1c(SC)ccn1C	


key: InChI
value:
  InChI=1S/C54H50F3N5O7S6/c1-23-17-24(20-32(71-12)44(23)64-6)35-36(25-18-26(55)45(65-7)27(56)19-25)59-38-34(47(66-8)50(72-13)33(37(38)58-35)41-48(67-9)52-39(61(41)3)28(57)22-74-52)51-49(68-10)43-54(75-51)53(73-14)42(62(43)4)46-30(63-5)21-29(69-46)40-31(70-11)15-16-60(40)2/h15-22H,1-14H3


key: InChI
value:
  InChI=1S/C31H19FO6S5Se/c1-10-6-14(37-22(10)30-29(40-4)25-28(43-30)24-23(38-25)13(32)8-35-24)26-17-18(27(42-26)15-7-12(39-3)9-44-15)21(34)19-16(20(17)33)11(2)36-31(19)41-5/h6-9H,1-5H3


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(ccn2C)SC)s1)C)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(cc1C)c1c(SC)ccn1C)C)OC)SC)c1c(OC)c2c(n1C)c(cs2)F	


key: InChI
value:
  InChI=1S/C54H50F3N5O5S7/c1-23-17-25(21-32(69-12)44(23)63-6)35-36(26-19-27(55)45(64-7)28(56)20-26)59-38-34(46(65-8)50(70-13)33(37(38)58-35)41-47(66-9)52-39(61(41)4)29(57)22-72-52)51-48(67-10)42-54(74-51)53(71-14)43(62(42)5)49-24(2)18-31(73-49)40-30(68-11)15-16-60(40)3/h15-22H,1-14H3


key: InChI
value:
  InChI=1S/C30H23NO6S3Se/c1-12-9-16(37-25(12)22-27(34-4)26-15(31(22)3)7-8-35-26)28-19-20(29(40-28)17-10-14(38-5)11-41-17)24(33)21-18(23(19)32)13(2)36-30(21)39-6/h7-11H,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)c1c(c2c(c(cn2C)C)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)c1sc2c(c1SC)n(cc2C)C)C)OC)SC)c1c(OC)c2c(n1C)c(cs2)F	


key: InChI
value:
  InChI=1S/C52H48F3N5O5S7/c1-21-15-23(18-28(66-11)40(21)61-6)31-32(24-16-25(53)41(62-7)26(54)17-24)57-34-30(42(63-8)46(67-12)29(33(34)56-31)36-43(64-9)48-35(59(36)4)27(55)20-70-48)47-44(65-10)37-51(72-47)50(69-14)39(60(37)5)52-49(68-13)38-45(71-52)22(2)19-58(38)3/h15-20H,1-14H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)C)C(=O)c1c(sc(c1C2=O)F)SC)c1ccc(s1)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)ccs3)c2cc(c(F)n2C)OC)c1OC	


key: CAN_SMILES
value:
  CSc1cc(oc1C)c1c2oc(c(c2c(c2c1ccs2)c1cc(c(n1C)F)OC)OC)c1ccc(s1)c1oc(c2c1C(=O)c1c(C2=O)c(sc1F)SC)c1scc(c1)C	


key: InChI
value:
  InChI=1S/C43H29F2NO7S6/c1-16-12-25(57-15-16)36-29-28(33(47)30-31(34(29)48)43(55-7)59-42(30)45)35(52-36)22-8-9-23(58-22)37-39(50-5)32-27(19-13-21(49-4)41(44)46(19)3)40-18(10-11-56-40)26(38(32)53-37)20-14-24(54-6)17(2)51-20/h8-15H,1-7H3


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(c2c(cco2)OC)s1)SC)F	


key: InChI
value:
  InChI=1S/C38H35FN4O5S5/c1-16-15-48-31-26(16)42(3)28(34(31)50-9)21-17(2)32(49-8)22(25-24(21)40-37(45-6)38(41-25)46-7)33-23(39)29-36(53-33)35(51-10)27(43(29)4)19-11-12-20(52-19)30-18(44-5)13-14-47-30/h11-15H,1-10H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)C)C(=O)c1c(sc(c1C2=O)F)SC)c1ccc(s1)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC	


key: CAN_SMILES
value:
  COc1cc(cc(c1SC)F)c1c2scc(c2c(c2c1c(OC)c(n2C)c1ccc(s1)c1oc(c2c1C(=O)c1c(C2=O)c(sc1F)SC)c1scc(c1)C)c1ccc(c(c1)C)C)SC	


key: InChI
value:
  InChI=1S/C49H37F2NO5S7/c1-20-14-29(61-18-20)44-36-35(41(53)37-38(42(36)54)49(60-9)64-48(37)51)43(57-44)28-13-12-27(63-28)39-45(56-6)34-32(24-16-25(50)46(59-8)26(17-24)55-5)47-33(30(58-7)19-62-47)31(40(34)52(39)4)23-11-10-21(2)22(3)15-23/h10-19H,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)c1cc(c(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC)SC)F	


key: CAN_SMILES
value:
  CSc1c(c2nc(OC)c(nc2c(c1C)c1n(C)c2c(c1SC)occ2C)OC)c1sc2c(c1F)n(c(c2SC)c1n(C)c2c(c1OC)c(c1cc(F)c(c(c1)OC)SC)c1c(c2c2ccc(c(c2)C)C)c(SC)cs1)C	


key: InChI
value:
  InChI=1S/C58H55F2N5O5S7/c1-24-17-18-28(19-25(24)2)34-36-32(71-12)23-76-52(36)35(29-20-30(59)51(73-14)31(21-29)66-8)37-43(34)64(6)46(48(37)67-9)47-55(75-16)56-45(65(47)7)39(60)53(77-56)38-41-40(61-57(68-10)58(62-41)69-11)33(27(4)50(38)72-13)44-54(74-15)49-42(63(44)5)26(3)22-70-49/h17-23H,1-16H3


key: InChI
value:
  InChI=1S/C34H27N3O7S3/c1-37-14-16(38-2)9-18(37)19-7-8-20(41-19)21-11-24-33(42-21)34(47-6)31(44-24)17-10-26(45-4)28(30-29(17)36-27(46-5)13-35-30)22-12-23-32(43-22)25(39-3)15-40-23/h7-15H,1-6H3


key: InChI
value:
  InChI=1S/C32H22N2O5S4SeSi/c1-35-18-12-36-16-9-15(38-28(16)18)24-19(40-2)7-13(25-26(24)33-11-23(34-25)41-3)27-31(42-4)29-17(39-27)8-14(37-29)20-10-22-32(44-20)30-21(45-22)5-6-43-30/h5-12H,45H2,1-4H3


key: InChI
value:
  InChI=1S/C33H22F2N4O3S6/c1-39-15(16-8-14-26(41-16)29-13(37-14)6-7-46-29)9-17-24(39)32(45-5)31(48-17)19-21(35)30(44-4)20(23-22(19)36-10-18(38-23)43-3)27-28(40-2)33-25(42-27)12(34)11-47-33/h6-11,37H,1-5H3


key: InChI
value:
  InChI=1S/C36H31FN4O4S4/c1-16-30-32(26(47-7)15-41(30)4)45-31(16)19-12-24(46-6)27(29-28(19)39-36(37)17(2)38-29)23-13-25-33(44-23)35(48-8)34(49-25)22-10-9-21(43-22)20-11-18(42-5)14-40(20)3/h9-15H,1-8H3


key: InChI
value:
  InChI=1S/C37H33FN4O2S6/c1-16-12-23(30-21(45-6)10-11-41(30)4)49-34(16)36-35(48-9)33-24(50-36)14-20(43-33)26-22(46-7)13-19(27-28(26)39-18(3)37(38)40-27)31-17(2)29-32(44-31)25(47-8)15-42(29)5/h10-15H,1-9H3


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(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC)SC	


key: CAN_SMILES
value:
  COc1cc(cc(c1SC)F)c1c2scc(c2c(c2c1c(OC)c(n2C)c1sc2c(c1SC)oc(c2)c1c(SC)cc(c2c1nc(C)c(n2)F)c1oc2c(c1C)n(cc2SC)C)c1ccc(c(c1)C)C)SC	


key: InChI
value:
  InChI=1S/C55H48F2N4O4S7/c1-23-14-15-27(16-24(23)2)37-40-36(68-11)22-71-52(40)38(28-17-30(56)51(69-12)32(18-28)62-7)41-45(37)61(6)46(50(41)63-8)53-54(70-13)49-34(72-53)20-31(64-49)39-33(66-9)19-29(42-43(39)58-26(4)55(57)59-42)47-25(3)44-48(65-47)35(67-10)21-60(44)5/h14-22H,1-13H3


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


key: InChI
value:
  InChI=1S/C30H20GeO4S4Se2/c1-11-7-16(35-25(11)17-9-15-26(38-17)29-14(31-15)5-6-40-29)27-20-21(28(39-27)18-8-13(36-3)10-41-18)24(33)22-19(23(20)32)12(2)34-30(22)37-4/h5-10H,31H2,1-4H3


key: InChI
value:
  InChI=1S/C30H20FNO4S4/c1-13-10-19(38-12-13)28-21-20(24(33)22-23(25(21)34)30(37-4)40-29(22)31)27(36-28)18-8-7-17(39-18)26-14(2)11-16(35-26)15-6-5-9-32(15)3/h5-12H,1-4H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)C)C(=O)c1c(sc(c1C2=O)F)SC)c1ccc(s1)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F	


key: InChI
value:
  InChI=1S/C45H34F2N2O4S7/c1-17-12-25(57-16-17)41-32-31(38(50)33-34(39(32)51)45(56-9)60-43(33)47)40(53-41)23-11-10-22(59-23)36-35(46)30-29(24-13-18(2)20(4)58-24)42-27(19(3)15-52-42)28(37(30)49(36)6)21-14-26(54-7)44(55-8)48(21)5/h10-16H,1-9H3


key: CAN_SMILES
value:
  CSc1c(SC)cc(n1C)c1c2c(C)coc2c(c2c1n(C)c(c2F)c1ccc(s1)c1oc(c2c1C(=O)c1c(C2=O)c(sc1F)SC)c1scc(c1)C)c1cc(c(s1)C)C	


key: InChI
value:
  InChI=1S/C34H22F2O7S3Se/c1-11-7-15(42-27(11)31-24(36)22-23(35)28-17(12(2)9-40-28)29(39-4)30(22)43-31)32-19-20(33(46-32)16-8-14(44-5)10-47-16)26(38)21-18(25(19)37)13(3)41-34(21)45-6/h7-10H,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(c2c2cc(c(o2)C)SC)ccs3)c2cc(c(F)n2C)OC)c1OC)C	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1sc2c(c1)n(c(c2C)c1oc2c(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)ccs1)C)OC)C)c1c(C)c2c(n1C)c(co2)OC	


key: InChI
value:
  InChI=1S/C51H46FN5O7S4/c1-21-34(41-22(2)45-43(57(41)7)30(59-9)20-62-45)40-39(53-19-33(54-40)66-13)37(44(21)60-10)32-17-27-49(68-32)23(3)42(55(27)5)48-47(61-11)38-36(26-16-29(58-8)51(52)56(26)6)50-25(14-15-67-50)35(46(38)64-48)28-18-31(65-12)24(4)63-28/h14-20H,1-13H3


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[nH]c2c1)SC)F	


key: InChI
value:
  InChI=1S/C37H32FN5O4S5/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/h10-13,39H,1-9H3


key: InChI
value:
  InChI=1S/C34H26N2O6S5/c1-15-9-17(39-29(15)33-23(43-3)7-8-47-33)18-11-21-32(40-18)34(46-6)30(42-21)16-10-24(44-4)26(28-27(16)36-25(45-5)13-35-28)19-12-20-31(41-19)22(37-2)14-38-20/h7-14H,1-6H3


key: InChI
value:
  InChI=1S/C35H28F2N4O2S7/c1-40-13-15(44-4)10-17(40)19-8-9-20(49-19)18-11-21-28(41(18)2)34(47-7)33(50-21)23-25(37)32(46-6)24(27-26(23)38-12-22(39-27)45-5)30-31(42-3)35-29(43-30)16(36)14-48-35/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C33H20F3N3O3S7/c1-39-13(14-7-16-29(47-14)27-28(49-16)11(34)9-41-27)6-15-23(39)32(45-5)31(48-15)18-20(36)30(44-4)19(22-21(18)37-8-17(38-22)43-3)25-26(40-2)33-24(42-25)12(35)10-46-33/h6-10H,1-5H3


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(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1sc2c(c1SC)n(c(c2)c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)occ1C)C)F)SC)c1oc2c(c1OC)scc2F	


key: InChI
value:
  InChI=1S/C50H42F3N5O3S8/c1-19-13-25(68-21(19)3)31-32-35(52)39(58(6)41(32)30(29-20(2)17-60-43(29)31)23-14-27(62-8)50(66-12)57(23)5)24-15-26-40(56(24)4)48(65-11)47(69-26)33-36(53)46(64-10)34(38-37(33)54-16-28(55-38)63-9)44-45(59-7)49-42(61-44)22(51)18-67-49/h13-18H,1-12H3


key: InChI
value:
  InChI=1S/C33H22F2N4O2S5Se2/c1-39-15(17-8-14-33(48-17)32-13(37-14)6-7-47-32)9-16-24(39)30(44-5)29(46-16)19-21(35)28(43-4)20(23-22(19)36-10-18(38-23)42-3)26-27(40-2)31-25(41-26)12(34)11-45-31/h6-11,37H,1-5H3


key: InChI
value:
  InChI=1S/C36H31FN4O2S6/c1-16-30-32(26(46-7)15-41(30)4)43-31(16)19-12-24(45-6)27(29-28(19)39-36(37)17(2)38-29)21-13-25-33(42-21)35(47-8)34(49-25)23-10-9-22(48-23)20-11-18(44-5)14-40(20)3/h9-15H,1-8H3


key: InChI
value:
  InChI=1S/C34H25FN4O3S4Se/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)32(45-6)31(46-21)19-10-17-28(41-19)33-16(37-17)7-8-47-33/h7-12,37H,1-6H3


key: InChI
value:
  InChI=1S/C31H23FN2O4S4/c1-14-10-21(40-13-14)29-23-22(26(35)24-25(27(23)36)31(39-5)42-30(24)32)28(38-29)20-9-8-19(41-20)17-7-6-16(34(17)3)18-11-15(37-4)12-33(18)2/h6-13H,1-5H3


key: InChI
value:
  InChI=1S/C30H18FNO5S5/c1-11-7-16(40-10-11)26-19-18(23(33)20-21(24(19)34)30(39-4)42-29(20)31)25(37-26)15-6-5-14(41-15)12-8-13-22(32(12)2)28-27(36-13)17(38-3)9-35-28/h5-10H,1-4H3


key: InChI
value:
  InChI=1S/C33H20F3NO5S3Se/c1-11-6-17(42-29(11)30-25(36)20-16(41-30)8-14-15(34)9-37(3)26(14)24(20)35)31-21-22(32(45-31)18-7-13(43-4)10-46-18)28(39)23-19(27(21)38)12(2)40-33(23)44-5/h6-10H,1-5H3


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(c2c2ccc(s2)F)c(cs3)SC)c2cc(c(s2)OC)C)c1)C	


key: InChI
value:
  InChI=1S/C43H29FO5S8Se/c1-16-10-21(39-32-33(40(57-39)26-12-19(50-5)15-58-26)36(46)34-28(35(32)45)18(3)48-43(34)52-7)49-37(16)24-13-20-29(23-11-17(2)42(47-4)56-23)41-31(25(51-6)14-53-41)30(38(20)55-24)22-8-9-27(44)54-22/h8-15H,1-7H3


key: CAN_SMILES
value:
  CSc1c[se]c(c1)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1cc(c(o1)c1cc2c(s1)c(c1ccc(s1)F)c1c(c2c2cc(c(s2)OC)C)scc1SC)C	


key: InChI
value:
  InChI=1S/C31H23FN2O4S4/c1-14-24-17(13-40-14)27(35)25-26(28(24)36)29(21-8-15(32)12-41-21)38-30(25)22-10-23(39-5)31(42-22)19-7-6-18(34(19)3)20-9-16(37-4)11-33(20)2/h6-13H,1-5H3


key: InChI
value:
  InChI=1S/C29H17FO3S7/c1-12-21-14(11-37-12)24(31)22-23(25(21)32)26(16-7-13(30)10-38-16)33-27(22)17-8-18(34-2)29(39-17)20-9-19(35-3)28(40-20)15-5-4-6-36-15/h4-11H,1-3H3


key: InChI
value:
  InChI=1S/C28H12F2O4S6/c1-9-18-11(8-36-9)21(31)19-20(22(18)32)23(13-3-10(29)7-37-13)34-24(19)14-4-15(35-2)27(38-14)16-5-17-28(40-16)25-26(39-17)12(30)6-33-25/h3-8H,1-2H3


key: InChI
value:
  InChI=1S/C31H15F4NO4S4/c1-10-19-13(9-42-10)26(37)21-22(27(19)38)28(16-4-11(32)8-43-16)40-29(21)17-6-18(41-3)31(44-17)30-24(35)20-15(39-30)5-12-14(33)7-36(2)25(12)23(20)34/h4-9H,1-3H3


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


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)F)C(=O)c1c(scc1C2=O)C)c1cc(c(s1)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)ccs3)c2cc(c(F)n2C)OC)c1OC)SC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1oc2c(c1OC)c(c1c(c2c2oc(c(c2)SC)C)ccs1)c1cc(c(n1C)F)OC)c1oc(c2c1C(=O)c1c(C2=O)c(sc1)C)c1scc(c1)F	


key: InChI
value:
  InChI=1S/C43H29F2NO7S6/c1-16-24(54-6)12-22(51-16)29-19-8-9-56-41(19)30(21-11-23(49-4)43(45)46(21)3)33-38(29)53-40(39(33)50-5)42-27(55-7)13-26(59-42)37-31-32(36(52-37)25-10-18(44)14-58-25)35(48)28-17(2)57-15-20(28)34(31)47/h8-15H,1-7H3


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


key: InChI
value:
  InChI=1S/C31H22FNO7S2Se/c1-13-22-25(31(37-4)43-13)27(35)23-24(26(22)34)30(21-9-15(41-5)12-42-21)40-29(23)20-10-16(32)28(39-20)19-7-6-18(38-19)17-8-14(36-3)11-33(17)2/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C31H21FO6S4Se/c1-12-8-16(36-26(12)30-18(40-5)6-7-41-30)27-15(32)10-17(37-27)28-21-22(29(38-28)19-9-14(39-4)11-42-19)24(33)20-13(2)43-31(35-3)23(20)25(21)34/h6-11H,1-5H3


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(c2c2cc(c(cc2)OC)C)ccn3C)c2cc(c(c(c2)F)OC)F)c1SC)F	


key: InChI
value:
  InChI=1S/C48H34F3NO7S4Se/c1-19-13-21(9-10-28(19)55-4)32-24-11-12-52(3)38(24)33(22-14-25(49)41(56-5)26(50)15-22)37-45(32)63-47(46(37)61-8)42-27(51)17-29(58-42)43-34-35(44(59-43)30-16-23(60-7)18-62-30)39(53)31-20(2)64-48(57-6)36(31)40(34)54/h9-18H,1-8H3


key: CAN_SMILES
value:
  CSc1csc(c1)c1oc(c2c1C(=O)c1c(C2=O)c([se]c1C)OC)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/C29H16FNO6S3Se/c1-10-18-21(29(34-2)41-10)23(33)19-20(22(18)32)27(17-6-11(38-3)9-40-17)37-26(19)15-7-12(30)24(35-15)16-8-14-25(36-16)28-13(31-14)4-5-39-28/h4-9,31H,1-3H3


key: InChI
value:
  InChI=1S/C29H16FNO5S2Se3/c1-10-18-21(29(34-2)40-10)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)17-8-14-28(41-17)27-13(31-14)4-5-39-27/h4-9,31H,1-3H3


key: InChI
value:
  InChI=1S/C28H24FN3O2S4/c1-13-10-16(27-21(29)19(35-5)12-33-27)22-23(31-38-30-22)20(13)25-28(36-6)15(3)24(32(25)4)26-14(2)11-17(34-26)18-8-7-9-37-18/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C29H26FN3O3S5/c1-13-9-15(26-22(30)20(38-5)12-35-26)23-24(33-41-32-23)21(13)25-28(39-6)14(2)16(11-31-25)17-10-18(34-3)27(36-17)29-19(37-4)7-8-40-29/h7-10,12,16H,11H2,1-6H3/t16-/m1/s1


key: InChI
value:
  InChI=1S/C30H22F4N4O2S3/c1-11-7-14(28-20(32)17(41-5)10-39-28)23-24(36-43-35-23)18(11)27-30(42-6)12(2)25(38(27)4)29-22(34)19-16(40-29)8-13-15(31)9-37(3)26(13)21(19)33/h7-10H,1-6H3


key: InChI
value:
  InChI=1S/C30H30FN5O3/c1-15-12-19(26-27(37-8)17(3)14-35(26)6)24-25(33-36(7)32-24)22(15)29-18(4)23(31)30(39-29)28-16(2)13-21(38-28)20-10-9-11-34(20)5/h9-14H,1-8H3


key: InChI
value:
  InChI=1S/C29H27FN4O3S/c1-14-11-18(25-26(35-7)16(3)13-33(25)5)23-24(32-34(6)31-23)21(14)28-17(4)22(30)29(37-28)27-15(2)12-19(36-27)20-9-8-10-38-20/h8-13H,1-7H3


key: InChI
value:
  InChI=1S/C30H29FN4O3S2/c1-14-11-18(25-26(36-7)16(3)13-34(25)5)23-24(33-35(6)32-23)21(14)28-17(4)22(31)29(38-28)19-12-15(2)27(37-19)30-20(39-8)9-10-40-30/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C30H29F2N5O2S2/c1-14-11-17(25-27(38-7)15(2)13-36(25)5)23-24(34-37(6)33-23)21(14)28-16(3)22(32)29(39-28)19-12-20(40-8)30(41-19)26-18(31)9-10-35(26)4/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C29H27FN4O2S3/c1-14-11-17(25-26(35-6)15(2)13-33(25)4)23-24(32-34(5)31-23)21(14)27-16(3)22(30)28(36-27)19-12-20(37-7)29(39-19)18-9-8-10-38-18/h8-13H,1-7H3


key: InChI
value:
  InChI=1S/C29H30FN5O2S2/c1-13-10-17(22-24(36-8)14(2)11-33(22)5)20-21(32-35(7)31-20)18(13)25-16(4)19(30)26(37-25)29-28(38-9)23-27(39-29)15(3)12-34(23)6/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C35H36FN5O4S/c1-15-12-20(27-29(42-9)17(3)14-39(27)6)25-26(38-41(8)37-25)21(15)30-19(5)24(36)33(45-30)34-18(4)23-31(43-10)28-22(16(2)13-40(28)7)32(44-11)35(23)46-34/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C28H25FN4O2SSeSi/c1-12-9-15(23-24(34-6)13(2)11-32(23)4)21-22(31-33(5)30-21)19(12)25-14(3)20(29)26(35-25)16-10-18-28(37-16)27-17(38-18)7-8-36-27/h7-11H,38H2,1-6H3


key: InChI
value:
  InChI=1S/C28H25FGeN4O2SSe/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)18-10-17-27(37-18)28-16(30-17)7-8-38-28/h7-11H,30H2,1-6H3


key: InChI
value:
  InChI=1S/C27H21F2N3O4S4/c1-32-30-20-13(26-27(38-5)15(29)11-39-26)9-14(28)19(21(20)31-32)23-25(34-3)24(33-2)22(36-23)18-7-6-17(40-18)16-8-12(37-4)10-35-16/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C28H24F2N4O3S4/c1-33-11-13(38-5)9-17(33)18-7-8-19(41-18)23-25(35-3)26(36-4)24(37-23)20-15(29)10-14(21-22(20)32-34(2)31-21)27-28(39-6)16(30)12-40-27/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C26H16F3N3O5S3/c1-32-30-16-9(24-25(38-4)12(29)8-39-24)5-10(27)15(17(16)31-32)20-22(34-3)21(33-2)19(37-20)14-6-13-26(40-14)23-18(36-13)11(28)7-35-23/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C26H16F3N3O4S4/c1-32-30-16-9(23-25(37-4)12(29)8-38-23)5-10(27)15(17(16)31-32)19-21(34-3)20(33-2)18(36-19)13-6-14-26(39-13)22-24(40-14)11(28)7-35-22/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C27H18F3N3O5S4/c1-33-31-14-9(23-24(39-4)12(30)8-41-23)6-10(28)13(15(14)32-33)17-18(34-2)19(35-3)21(38-17)27-26(40-5)22-25(42-27)20-16(37-22)11(29)7-36-20/h6-8H,1-5H3


key: InChI
value:
  InChI=1S/C28H22F2N4O5S2/c1-11-9-37-24-20-16(38-21(11)24)8-15(33(20)2)22-25(35-4)26(36-5)23(39-22)17-13(29)7-12(18-19(17)32-34(3)31-18)27-28(40-6)14(30)10-41-27/h7-10H,1-6H3


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)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(cs3)OC)c2ccc(cc2)C)c1C)F	


key: CAN_SMILES
value:
  COc1cc2c(cc1SC)C(=O)c1c(C2=O)c([se]c1c1cc(c(o1)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1)F)c1[se]cc(c1)F	


key: InChI
value:
  InChI=1S/C48H30F4O6S2Se2/c1-19-7-9-22(10-8-19)36-34-21(3)43(58-45(34)35(37-31(56-5)17-60-46(36)37)23-11-20(2)40(52)27(50)12-23)44-28(51)16-30(57-44)47-38-39(48(62-47)33-13-24(49)18-61-33)41(53)25-14-29(55-4)32(59-6)15-26(25)42(38)54/h7-18H,1-6H3


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)13-8-15-26(38-13)20-14(39-15)5-6-34-20/h5-9H,39H2,1-4H3


key: SMILES
value:
  c1(c(cc(c2nonc12)c1c(c(cn1C)F)SC)F)c1c(c(c(s1)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)SC)C	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)csc2c(c2c1n(C)c(c2C)c1sc(c(c1SC)C)c1c(F)cc(c2c1non2)c1n(C)cc(c1SC)F)c1cc(c(s1)C)F	


key: InChI
value:
  InChI=1S/C41H33F3N4OS8/c1-16-27-30(24-13-20(42)18(3)55-24)40-31(25(50-6)15-54-40)29(23-10-11-26(51-7)56-23)36(27)48(5)34(16)41-38(52-8)17(2)37(57-41)28-21(43)12-19(32-33(28)46-49-45-32)35-39(53-9)22(44)14-47(35)4/h10-15H,1-9H3


key: InChI
value:
  InChI=1S/C33H30F2N4O3S4/c1-13-11-38(4)25-19(13)27(41-7)32-20(26(25)40-6)14(2)30(46-32)33-29(43-8)15(3)28(45-33)21-17(34)10-16(22-23(21)37-42-36-22)24-31(44-9)18(35)12-39(24)5/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C19H15FN2O2S2/c1-23-13-7-11-18-16(17(13)20)19-10(8-22(18)9-15(21-11)25-2)6-14(26-19)12-4-3-5-24-12/h3-7,9,22H,8H2,1-2H3


key: InChI
value:
  InChI=1S/C26H19F2GeN3O2S4/c1-10-22(38-26(23(10)35-3)16-8-15-21(33-16)25-14(29-15)5-6-37-25)17-12(27)7-11(18-19(17)31-34-30-18)20-24(36-4)13(28)9-32(20)2/h5-9H,29H2,1-4H3


key: InChI
value:
  InChI=1S/C26H19F2N3OS4SeSi/c1-10-21(36-24(22(10)33-3)14-8-16-26(37-14)25-15(38-16)5-6-35-25)17-12(27)7-11(18-19(17)30-32-29-18)20-23(34-4)13(28)9-31(20)2/h5-9H,38H2,1-4H3


key: InChI
value:
  InChI=1S/C25H15F3N2O4S4/c1-31-23-12(27)9-37-25(23)18-21-20(29-34-30-21)17(19(28)24(18)36-3)22-11(26)7-14(33-22)16-5-4-15(38-16)13-6-10(35-2)8-32-13/h4-9H,1-3H3


key: InChI
value:
  InChI=1S/C25H15F3N2O4S3/c1-10-7-13(15-5-4-6-36-15)32-21(10)14-8-11(26)22(33-14)16-18(28)24(35-3)17(20-19(16)29-34-30-20)25-23(31-2)12(27)9-37-25/h4-9H,1-3H3


key: InChI
value:
  InChI=1S/C25H18F3N3O4S3/c1-9-7-37-25-18(9)31(2)19(22(25)33-4)12-6-10(26)20(34-12)13-15(28)23(36-5)14(17-16(13)29-35-30-17)24-21(32-3)11(27)8-38-24/h6-8H,1-5H3


key: InChI
value:
  InChI=1S/C22H9F5N2O3S4/c1-30-17-7(24)4-34-21(17)11-15-14(28-32-29-15)10(12(26)20(11)33-2)16-6(23)3-9(31-16)19-13(27)22-18(36-19)8(25)5-35-22/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C29H18F4N2O5S2/c1-9-7-37-23-11(3)16-19(32)27(39-24(16)10(2)15(9)23)14-6-12(30)25(38-14)17-20(33)28(41-5)18(22-21(17)34-40-35-22)29-26(36-4)13(31)8-42-29/h6-8H,1-5H3


key: InChI
value:
  InChI=1S/C27H13F6N3O4S2/c1-36-6-10(29)8-4-12-14(17(31)22(8)36)18(32)25(38-12)13-5-9(28)23(39-13)15-19(33)26(41-3)16(21-20(15)34-40-35-21)27-24(37-2)11(30)7-42-27/h4-7H,1-3H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cccc(c1)OC)c1cc(c(c(c1)OC)F)SC)SC)F)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F	


key: CAN_SMILES
value:
  COc1cccc(c1)c1nc2cc(SC)c(c(c2nc1c1cc(OC)c(c(c1)SC)F)c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)occ1C)F	


key: InChI
value:
  InChI=1S/C49H43F3N4O3S5/c1-22-15-31(64-24(22)3)37-38-42(52)47(56(5)46(38)36(35-23(2)21-59-48(35)37)29-20-34(62-10)49(63-11)55(29)4)39-41(51)33(61-9)19-28-45(39)54-44(26-17-30(58-7)40(50)32(18-26)60-8)43(53-28)25-13-12-14-27(16-25)57-6/h12-21H,1-11H3


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)ccs3)c1cc(c(o1)F)OC)F	


key: InChI
value:
  InChI=1S/C38H25F5N4O5S4/c1-46-18(20-10-16(39)32(50-20)26-28(41)35(54-6)27(30-29(26)44-52-45-30)36-33(49-4)17(40)13-56-36)9-15-25(21-12-22(48-3)38(43)51-21)34-14(7-8-55-34)24(31(15)46)19-11-23(53-5)37(42)47(19)2/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C24H13F3N2O4S2SeSi/c1-30-20-9(26)7-35-23(20)15-18-17(28-33-29-18)14(16(27)22(15)34-2)19-8(25)5-10(32-19)11-6-13-24(36-11)21-12(37-13)3-4-31-21/h3-7H,37H2,1-2H3


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


key: InChI
value:
  InChI=1S/C32H24FNO5S4/c1-13-7-16-17(9-19(13)37-4)26(36)22-23(25(16)35)30(43-29(22)20-8-15(40-5)12-38-20)21-10-18(33)27(39-21)32-31(41-6)24-28(42-32)14(2)11-34(24)3/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C36H24F2O7S2/c1-13-7-18-19(9-21(13)41-5)30(40)26-27(29(18)39)36(47-35(26)22-8-17(46-6)12-42-22)23-10-20(37)33(44-23)34-28(38)25-16(4)31-24(14(2)11-43-31)15(3)32(25)45-34/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C35H21F3O8S2/c1-12-6-15-16(8-18(12)41-3)28(40)22-23(27(15)39)35(48-34(22)19-7-14(47-5)11-43-19)20-9-17(36)29(45-20)33-26(38)24-25(37)30-21(13(2)10-44-30)31(42-4)32(24)46-33/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C34H19F4NO6S2/c1-12-5-14-15(7-19(12)42-3)30(41)24-25(29(14)40)34(47-33(24)21-6-13(46-4)11-43-21)22-9-17(35)31(45-22)32-27(38)23-20(44-32)8-16-18(36)10-39(2)28(16)26(23)37/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C31H18FNO6S3/c1-12-6-14-15(8-19(12)36-2)26(35)23-24(25(14)34)31(42-30(23)21-7-13(40-3)11-37-21)22-9-16(32)27(39-22)20-10-18-28(38-20)29-17(33-18)4-5-41-29/h4-11,33H,1-3H3


key: InChI
value:
  InChI=1S/C31H18F2O5S3Se2/c1-36-18-8-15-16(9-23(18)40-3)28(35)25-26(27(15)34)31(24-6-13(32)12-42-24)43-30(25)20-10-17(33)29(38-20)22-5-4-21(41-22)19-7-14(39-2)11-37-19/h4-12H,1-3H3


key: InChI
value:
  InChI=1S/C32H19F2NO6S2Se2/c1-35-16(9-18-25(35)30-29(40-18)21(43-4)10-39-30)28-15(34)8-19(41-28)31-23-24(32(45-31)22-5-12(33)11-44-22)26(36)13-6-17(38-2)20(42-3)7-14(13)27(23)37/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C31H21F2NO7SSe2/c1-34-23-18(38-3)10-40-29(23)28(39-4)24(34)27-15(33)9-17(41-27)30-21-22(31(44-30)20-6-12(32)11-43-20)25(35)13-7-16(37-2)19(42-5)8-14(13)26(21)36/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)SC)c1cc(c(o1)c1c(c2c(c3c(cc2n1C)c(cs3)F)SC)SC)F	


key: InChI
value:
  InChI=1S/C35H22F3NO4S4Se2/c1-39-19-7-16-18(38)11-47-31(16)33(46-5)24(19)32(45-4)27(39)30-17(37)10-21(43-30)34-25-26(35(49-34)23-6-13(36)12-48-23)28(40)14-8-20(42-2)22(44-3)9-15(14)29(25)41/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C32H21F3N2O4S/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)24-12-23-32(42-24)31-30(41-23)19(34)13-40-31/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C31H18F2O4S2Se2/c1-13-7-16-17(10-20(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)8-21(38-28)19-5-4-6-37-19/h4-12H,1-3H3


key: InChI
value:
  InChI=1S/C33H23F3N2O4S2/c1-14-10-16(6-8-18(14)34)25-26(17-7-9-21(39-3)15(2)11-17)38-27-20(37-25)12-22(40-4)24(36)23(27)31-33(43-5)30-32(44-31)29-28(42-30)19(35)13-41-29/h6-13H,1-5H3


key: InChI
value:
  InChI=1S/C31H18F2O3S4Se2/c1-13-7-15-16(9-18(13)36-2)27(35)25-24(26(15)34)30(42-31(25)23-8-14(32)12-41-23)22-10-17(33)28(40-22)21-11-20(37-3)29(39-21)19-5-4-6-38-19/h4-12H,1-3H3


key: InChI
value:
  InChI=1S/C32H24F2N2O2SSeSi/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/C32H20F2O5S3Se2/c1-13-7-15-16(9-18(13)37-2)27(36)25-24(26(15)35)31(44-32(25)23-8-14(33)12-43-23)22-10-17(34)29(42-22)20-11-19(38-3)28(39-20)30-21(40-4)5-6-41-30/h5-12H,1-4H3


key: InChI
value:
  InChI=1S/C30H16FNO5SSe3/c1-35-17-9-13-12(8-14(17)31)24(33)22-23(25(13)34)30(41-29(22)20-4-3-7-39-20)21-11-18(36-2)28(40-21)19-10-16-26(37-19)27-15(32-16)5-6-38-27/h3-11,32H,1-2H3


key: InChI
value:
  InChI=1S/C31H21F2NO3S3Se2/c1-12-6-15-16(8-18(12)37-4)25(36)22-21(24(15)35)30(42-31(22)20-7-14(32)11-41-20)19-9-17(33)27(39-19)29-28(38-5)23-26(40-29)13(2)10-34(23)3/h6-11H,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)c1oc2c(c(c3c(c2C)c(co3)C)C)c1F)OC	


key: InChI
value:
  InChI=1S/C35H22F2O6Se3/c1-13-12-42-30-15(3)24-27(37)32(43-31(24)14(2)23(13)30)33-20(41-5)11-22(45-33)35-26-25(34(46-35)21-7-6-8-44-21)28(38)16-9-18(36)19(40-4)10-17(16)29(26)39/h6-12H,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(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)F	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)csc2c(c2c1n(C)c(c2C)c1sc(cc1F)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)C)OC)c1[se]cc(c1)F)c1sc(c(c1)F)C	


key: InChI
value:
  InChI=1S/C45H30F3NO3S6Se2/c1-17-10-21-22(12-25(17)52-5)41(51)37-36(40(21)50)44(60-45(37)30-11-20(46)16-59-30)28-14-24(48)42(58-28)38-18(2)32-34(27-13-23(47)19(3)56-27)43-35(29(53-6)15-55-43)33(39(32)49(38)4)26-8-9-31(54-7)57-26/h8-16H,1-7H3


key: InChI
value:
  InChI=1S/C30H17FGeO4SSe4/c1-35-17-9-13-12(8-14(17)31)24(33)22-23(25(13)34)30(41-29(22)20-4-3-6-38-20)21-11-18(36-2)28(40-21)19-10-16-26(37-19)27-15(32-16)5-7-39-27/h3-11H,32H2,1-2H3


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: 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: 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: 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: 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: 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:
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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: InChI
value:
  InChI=1S/C46H45FN4O3S6/c1-22-15-25(16-23(2)34(22)47)35-36(26-17-27(52-6)19-28(18-26)55-8)48-37-32(29-13-14-30(54-29)43-46(59-12)40-41(60-43)24(3)20-50(40)4)44(57-10)45(58-11)33(38(37)49-35)39-42(56-9)31(53-7)21-51(39)5/h13-21H,1-12H3


key: CAN_SMILES
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: 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: CAN_SMILES
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: 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: InChI
value:
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key: SMILES
value:
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key: InChI
value:
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key: CAN_SMILES
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: 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: InChI
value:
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key: SMILES
value:
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key: InChI
value:
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key: CAN_SMILES
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/C48H40F3N3O5S2/c1-21-16-26(13-14-28(21)49)38-39(27-18-29(50)44(56-8)31(19-27)55-7)53-41-36(48(60-10)45(57-9)35(40(41)52-38)30-12-11-15-54(30)6)32-17-22(2)47(61-32)46-37(51)34-25(5)42-33(23(3)20-58-42)24(4)43(34)59-46/h11-20H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C45H37F3N4O4S3/c1-20-12-23(15-32(53-6)41(20)54-7)35-36(24-13-28(46)44(58-9)29(47)14-24)49-37-26(31-16-25(57-8)18-51(31)4)10-11-27(38(37)50-35)39-21(2)22(3)40(52(39)5)34-17-33-45(59-34)43-42(56-33)30(48)19-55-43/h10-19H,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)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)ccs3)c1cc(c(o1)F)OC)C)C	


key: InChI
value:
  InChI=1S/C59H52F4N6O4S4/c1-27-18-30(21-43(70-8)55(27)72-10)48-49(31-19-37(60)57(76-13)38(61)20-31)64-50-33(39-22-32(74-11)26-66(39)4)14-15-35(51(50)65-48)52-28(2)29(3)53(69(52)7)41-23-36-47(42-25-44(71-9)59(63)73-42)56-34(16-17-77-56)46(54(36)67(41)5)40-24-45(75-12)58(62)68(40)6/h14-26H,1-13H3


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)c1cc2c(n1C)c(c1cc(c(n1C)F)SC)c1c(c2c2cc(c(o2)F)OC)scc1)C	


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(cco2)n1C)OC)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)c1n(C)c(c(c1C)SC)c1c(OC)c2c(n1C)cco2	


key: InChI
value:
  InChI=1S/C47H47FN4O7S3/c1-22-18-25(20-30(60-11)34(22)48)35-36(26-19-29(54-7)44(56-9)31(21-26)61-12)49-37-32(45-28(53-6)15-17-59-45)23(2)42(55-8)33(38(37)50-35)39-24(3)47(62-13)41(52(39)5)40-46(57-10)43-27(51(40)4)14-16-58-43/h14-21H,1-13H3


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[SiH2]c2c1)SC)C	


key: CAN_SMILES
value:
  COc1c(C)c(c2occc2OC)c2c(c1c1n(C)c(c(c1C)SC)c1cc3c(o1)c1c([SiH2]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/C47H44FN3O6S3SeSi/c1-21-16-24(18-29(58-9)35(21)48)36-37(25-17-28(53-6)43(55-8)30(19-25)59-10)49-38-33(44-26(52-5)12-14-56-44)22(2)42(54-7)34(39(38)50-36)40-23(3)46(60-11)41(51(40)4)27-20-32-45(57-27)47-31(62-32)13-15-61-47/h12-20H,62H2,1-11H3


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(c2c(ccn2C)SC)s1)C)OC)F	


key: InChI
value:
  InChI=1S/C45H38F4N4O2S6/c1-21-18-28(39-26(57-6)16-17-52(39)2)61-44(21)41-43(54-4)34(49)40(53(41)3)30-33(48)45(60-9)31(42-32(47)29(59-8)20-55-42)38-37(30)51-36(23-12-15-25(46)27(19-23)58-7)35(50-38)22-10-13-24(56-5)14-11-22/h10-20H,1-9H3


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3occ(c3F)SC)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)c1sc(cc1C)c1c(SC)ccn1C)OC)F	


key: InChI
value:
  InChI=1S/C21H13F4N3O2S/c1-28-7-9(22)8-4-11-14(17(24)20(8)28)18(25)21(30-11)15-16(23)12(29-2)5-10-19(15)26-6-13(27-10)31-3/h4-7H,1-3H3


key: InChI
value:
  InChI=1S/C17H8F2N2OS2/c1-7-5-20-14-10(21-7)3-2-8(18)13(14)11-4-12-17(23-11)15-16(24-12)9(19)6-22-15/h2-6H,1H3


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)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)C	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)csc2c(c2c1n(C)c(c2C)c1sc(cc1C)c1c(SC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)OC)OC)c(n2)c1ccc(c(c1)C)F)c1cccn1C)c1sc(c(c1)F)C	


key: InChI
value:
  InChI=1S/C58H49F3N4O3S7/c1-26-20-30(15-16-32(26)59)48-49(31-22-34(61)54(67-8)36(23-31)66-7)63-51-47(58(71-12)55(68-9)43(50(51)62-48)35-14-13-19-64(35)5)38-21-27(2)56(75-38)52-28(3)42-45(39-24-33(60)29(4)73-39)57-46(40(69-10)25-72-57)44(53(42)65(52)6)37-17-18-41(70-11)74-37/h13-25H,1-12H3


key: InChI
value:
  InChI=1S/C23H17F3N2O3S3/c1-8-7-30-17-11(8)19(29-2)20-12(14(17)24)15(25)18(31-20)13-16-9(6-10(32-3)21(13)33-4)27-22(26)23(28-16)34-5/h6-7H,1-5H3


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(c2cccs2)o1)C)SC)C	


key: CAN_SMILES
value:
  COc1c(C)c(c2occc2OC)c2c(c1c1n(C)c(c(c1C)SC)c1oc(cc1C)c1cccs1)nc(c(n2)c1cc(OC)c(c(c1)SC)OC)c1cc(C)c(c(c1)SC)F	


key: InChI
value:
  InChI=1S/C48H46FN3O6S4/c1-23-18-27(21-33(59-10)37(23)49)38-39(28-20-31(54-7)46(56-9)34(22-28)60-11)50-40-35(47-29(53-6)15-16-57-47)25(3)45(55-8)36(41(40)51-38)42-26(4)48(61-12)43(52(42)5)44-24(2)19-30(58-44)32-14-13-17-62-32/h13-22H,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(c2c(c(cn2C)C)s1)SC)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)c1sc2c(c1SC)n(cc2C)C)SC	


key: InChI
value:
  InChI=1S/C48H49FN4O5S5/c1-22-17-26(19-30(59-11)34(22)49)35-36(27-18-29(55-8)43(57-10)31(20-27)60-12)50-37-32(44-28(54-7)15-16-58-44)24(3)42(56-9)33(38(37)51-35)39-25(4)46(61-13)41(53(39)6)48-47(62-14)40-45(63-48)23(2)21-52(40)5/h15-21H,1-14H3


key: InChI
value:
  InChI=1S/C19H15FN2OS3SeSi/c1-24-9-6-8-14(22-19(26-3)18(20)21-8)13(16(9)25-2)10-7-12-17(27-10)15-11(28-12)4-5-23-15/h4-7H,28H2,1-3H3


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(c2cc(cn2C)OC)o1)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(o1)c1cc(cn1C)OC)OC)F	


key: InChI
value:
  InChI=1S/C44H36F4N4O4S4/c1-51-19-23(53-3)18-26(51)27-15-16-28(56-27)40-43(54-4)35(48)41(52(40)2)31-34(47)44(60-8)32(42-33(46)30(59-7)20-55-42)39-38(31)50-37(22-11-14-25(45)29(17-22)58-6)36(49-39)21-9-12-24(57-5)13-10-21/h9-20H,1-8H3


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(c(c2)C)F)F)c(cs3)OC)c2ccc(cc2)C)c1C)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(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1)OC)F	


key: InChI
value:
  InChI=1S/C60H45F6N3O4S5/c1-26-11-13-29(14-12-26)41-39-28(3)55(73-56(39)40(42-36(70-5)25-78-59(41)42)32-21-27(2)45(63)35(62)22-32)54-58(71-6)48(66)53(69(54)4)43-47(65)60(77-10)44(57-46(64)38(76-9)24-72-57)52-51(43)68-50(31-17-20-34(61)37(23-31)75-8)49(67-52)30-15-18-33(74-7)19-16-30/h11-25H,1-10H3


key: InChI
value:
  InChI=1S/C22H23FN4OS3/c1-26-11-12(28-3)9-16(26)14-7-8-15(27(14)2)18-19-13(10-17(29-4)20(18)30-5)24-21(23)22(25-19)31-6/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C17H14FN3O2/c1-9-8-19-14-11(20-9)5-4-10(18)13(14)15-17(22-3)16-12(21(15)2)6-7-23-16/h4-8H,1-3H3


key: InChI
value:
  InChI=1S/C36H34F2N4OS6/c1-15-11-20(49-17(15)3)25-26-28(37)31(27-29-18(12-21(44-6)33(27)46-8)39-34(38)35(40-29)47-9)42(5)30(26)24(23-16(2)14-43-32(23)25)19-13-22(45-7)36(48-10)41(19)4/h11-14H,1-10H3


key: InChI
value:
  InChI=1S/C32H29FN2O6S2/c1-14-13-40-30(31(14)42-8)22-25-24(35-32(38-7)17(4)34-25)21(15(2)26(22)37-6)27-16(3)23(33)29(41-27)20-10-9-19(43-20)28-18(36-5)11-12-39-28/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C35H35FN6O4S4/c1-14-18(25-34(48-10)26-24(41(25)5)17(47-9)12-39(26)3)21-22(38-42(6)37-21)19(20(14)36)33-35(49-11)31-32(50-33)15(2)28(46-31)27-29(44-8)30-23(40(27)4)16(43-7)13-45-30/h12-13H,1-11H3


key: InChI
value:
  InChI=1S/C27H19F2N3O2S5/c1-10-6-12(23-18(29)16(35-4)9-34-23)19-20(31-39-30-19)17(10)22-25(36-5)11(2)21(32(22)3)14-7-15-27(37-14)24-26(38-15)13(28)8-33-24/h6-9H,1-5H3


key: InChI
value:
  InChI=1S/C33H26FN3O4S5/c1-13-20(29-30(38-5)31-28(41-29)16(34)12-39-31)22-23(36-46-35-22)21(32(13)43-7)26-15(3)25-27(40-26)14(2)24(37(25)4)18-11-19(42-6)33(45-18)17-9-8-10-44-17/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C35H29F2N3O4S4/c1-40-21(14-23-31(40)34-33(44-23)26(47-6)15-43-34)27-30-20(13-25(46-5)32(27)42-3)38-29(17-10-18(36)35(48-7)19(37)11-17)28(39-30)16-8-9-22(41-2)24(12-16)45-4/h8-15H,1-7H3


key: InChI
value:
  InChI=1S/C21H13F3N2O3/c1-8-7-28-18-12(8)20(27-3)21-14(15(18)23)16(24)19(29-21)13-10(22)4-5-11-17(13)25-6-9(2)26-11/h4-7H,1-3H3


key: InChI
value:
  InChI=1S/C33H27F2N7O3S3/c1-39-12-18(43-5)24-26(39)32(46-6)25(41(24)3)19-14(34)10-13(21-22(19)38-42(4)37-21)28-33(47-7)27-30(45-28)20(35)23(40(27)2)17-11-16-29(44-17)31-15(36-16)8-9-48-31/h8-12,36H,1-7H3


key: InChI
value:
  InChI=1S/C32H25F2N3S5/c1-14-12-35-29-19(36-14)8-7-17(33)25(29)30-15(2)24-27(21-11-18(34)16(3)41-21)32-28(22(38-5)13-40-32)26(31(24)37(30)4)20-9-10-23(39-6)42-20/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C21H21N3O4S/c1-24-11-12(25-2)10-14(24)15-8-9-17(28-15)18-16(26-3)7-6-13-19(18)23-21(29-5)20(22-13)27-4/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C21H21N3O3S/c1-12-11-16(14-7-6-10-24(14)2)27-19(12)17-15(25-3)9-8-13-18(17)23-21(28-5)20(22-13)26-4/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C22H23N3O4S2/c1-25-10-9-16(30-5)19(25)14-11-15(27-3)20(29-14)17-13(26-2)8-7-12-18(17)24-22(31-6)21(23-12)28-4/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C33H31FN4O4S3/c1-14-10-20(45-16(14)3)24-25-27(34)30(26-28-17(35-42-36-28)11-19(39-6)31(26)40-7)38(5)29(25)23(22-15(2)13-41-32(22)24)18-12-21(43-8)33(44-9)37(18)4/h10-13H,1-9H3


key: InChI
value:
  InChI=1S/C40H38FN3O4S4/c1-19-11-12-21(15-20(19)2)28-31-27(49-8)18-52-38(31)29(22-16-23(41)37(50-9)26(17-22)46-5)32-34(28)44(3)35(36(32)47-6)30-25(45-4)14-13-24-33(30)43-40(51-10)39(42-24)48-7/h11-18H,1-10H3


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(c2c2cc(c(cc2)OC)C)ccn3C)c2cc(c(c(c2)F)OC)F)c1SC)SC)C	


key: CAN_SMILES
value:
  CSc1cc(cc(c1F)C)c1nc2c(nc1c1cc(OC)c(c(c1)SC)OC)c(c1occc1OC)c(c(c2c1n(C)c(c(c1C)SC)c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)ccn1C)OC)C	


key: Name
value:
  A7-SCH3_OCH3_OCH3_CH3_F_SCH3_H_OCH3_CH3_OCH3_SCH3_CH3-O_NCH3-D10-H_OCH3_CH3_SCH3_F_OCH3_F_H-S_NCH3-p1


key: InChI
value:
  InChI=1S/C66H61F3N4O7S5/c1-30-23-34(17-18-41(30)74-7)47-38-19-21-72(5)57(38)48(35-25-39(67)60(78-11)40(68)26-35)49-64(47)85-66(65(49)84-16)58-63(83-15)33(4)56(73(58)6)50-55-54(46(32(3)59(50)77-10)62-42(75-8)20-22-80-62)70-53(37-27-43(76-9)61(79-12)45(29-37)82-14)52(71-55)36-24-31(2)51(69)44(28-36)81-13/h17-29H,1-16H3


key: InChI
value:
  InChI=1S/C34H25F2N3O2S8/c1-39-15(17-11-19(42-3)30(48-17)16-8-7-9-46-16)10-18-26(39)33(45-6)32(49-18)21-23(36)31(44-5)22(25-24(21)37-12-20(38-25)43-4)28-29(40-2)34-27(41-28)14(35)13-47-34/h7-13H,1-6H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cn1C)C)OC)C)c1c(c(c(o1)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F)F)C	


key: CAN_SMILES
value:
  CSc1c(SC)cc(n1C)c1c2c(C)coc2c(c2c1n(C)c(c2F)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)cc(c1OC)C)c1cc(c(s1)C)C	


key: InChI
value:
  InChI=1S/C45H44F2N6O3S3/c1-19-15-27(59-24(19)6)32-33-35(47)40(52(9)39(33)31(29-22(4)18-55-43(29)32)26-16-28(57-12)45(58-13)51(26)8)44-34(46)23(5)42(56-44)30-20(2)14-25(36-37(30)49-53(10)48-36)38-41(54-11)21(3)17-50(38)7/h14-18H,1-13H3


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)c1oc2c(c(c3c(c2C)c(co3)C)C)c1F)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)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1)SC	


key: InChI
value:
  InChI=1S/C52H49F2N3O7S3/c1-22-17-28(19-32(65-12)38(22)53)40-41(29-18-31(59-9)49(61-11)33(20-29)66-13)55-42-36(50-30(58-8)15-16-62-50)26(5)46(60-10)37(43(42)56-40)44-27(6)52(67-14)45(57(44)7)51-39(54)35-25(4)47-34(23(2)21-63-47)24(3)48(35)64-51/h15-21H,1-14H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)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:
  CSc1cc(cc(c1OC)SC)c1nc2ccc(c(c2nc1c1cccc(c1)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/C51H40F4N2O4S3/c1-23-15-28(16-24(2)25(23)3)39-42-36(58-5)22-60-48(42)40(29-18-33(54)26(4)34(55)19-29)43-49(39)61-50(51(43)64-9)41-32(53)13-14-35-46(41)57-44(27-11-10-12-31(52)17-27)45(56-35)30-20-37(62-7)47(59-6)38(21-30)63-8/h10-22H,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)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(cs3)OC)c2ccc(cc2)C)c1C	


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3oc4c(c3C)c(c3ccc(cc3)C)c3c(c4c4cc(C)c(c(c4)F)F)c(OC)cs3)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


key: InChI
value:
  InChI=1S/C63H54F3N3O5S5/c1-29-14-16-34(17-15-29)47-45-33(5)58(74-59(45)46(48-44(72-9)28-79-61(47)48)35-20-32(4)52(66)40(64)25-35)42-19-18-41(73-42)49-55-56(50(63(78-13)62(49)77-12)57-60(76-11)43(71-8)27-69(57)6)68-53(36-21-30(2)51(65)31(3)22-36)54(67-55)37-23-38(70-7)26-39(24-37)75-10/h14-28H,1-13H3


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)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1	


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3cc4c(s3)c(c3cc(F)cc(c3)SC)c3c(c4c4cc(C)cc(c4)OC)scc3C)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


key: InChI
value:
  InChI=1S/C63H55F2N3O4S7/c1-30-16-34(21-39(17-30)69-6)49-43-27-47(79-59(43)50(48-33(4)29-78-61(48)49)35-20-38(64)25-41(23-35)73-9)44-14-15-45(72-44)51-56-57(52(63(77-13)62(51)76-12)58-60(75-11)46(71-8)28-68(58)5)67-54(36-18-31(2)53(65)32(3)19-36)55(66-56)37-22-40(70-7)26-42(24-37)74-10/h14-29H,1-13H3


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(c2c2cc(c(o2)C)SC)ccs3)c2cc(c(F)n2C)OC)c1OC)SC)F	


key: CAN_SMILES
value:
  CSc1c(c2nc(OC)c(nc2c(c1C)c1n(C)c2c(c1SC)occ2C)OC)c1sc2c(c1F)n(c(c2SC)c1oc2c(c1OC)c(c1c(c2c2oc(c(c2)SC)C)ccs1)c1cc(c(n1C)F)OC)C	


key: InChI
value:
  InChI=1S/C52H47F2N5O7S6/c1-20-19-64-43-36(20)58(5)37(47(43)69-13)28-21(2)44(68-12)32(35-34(28)55-51(62-9)52(56-35)63-10)46-33(53)38-49(72-46)48(70-14)39(59(38)6)42-41(61-8)31-30(24-17-26(60-7)50(54)57(24)4)45-23(15-16-71-45)29(40(31)66-42)25-18-27(67-11)22(3)65-25/h15-19H,1-14H3


key: InChI
value:
  InChI=1S/C33H23F2GeN3O2S6Se/c1-39-15(16-8-14-28(46-16)33-13(36-14)6-7-48-33)9-17-24(39)31(44-5)30(47-17)19-21(35)29(43-4)20(23-22(19)37-10-18(38-23)42-3)26-27(40-2)32-25(41-26)12(34)11-45-32/h6-11H,36H2,1-5H3


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)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(cs3)OC)c2ccc(cc2)C)c1C)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)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1)C)OC)SC)c1c(OC)c2c(n1C)c(cs2)F	


key: Name
value:
  A8-CH3_OCH3_SCH3_F_OCH3_F_F_OCH3_SCH3_OCH3_SCH3_OCH3-NCH3_S_S_NCH3-D10-CH3_F_F_CH3_H_CH3_H_OCH3-O_S-p1


key: InChI
value:
  InChI=1S/C69H57F5N4O7S6/c1-28-16-18-32(19-17-28)44-42-31(4)58(85-60(42)43(45-40(79-7)27-90-64(44)45)33-20-29(2)48(74)36(70)22-33)55-68(88-15)69-56(78(55)6)63(84-12)66(91-69)47-52-51(46(65(87-14)61(47)82-10)54-62(83-11)67-53(77(54)5)39(73)26-89-67)75-49(34-21-30(3)57(80-8)41(25-34)86-13)50(76-52)35-23-37(71)59(81-9)38(72)24-35/h16-27H,1-15H3


key: InChI
value:
  InChI=1S/C25H18F3N3OS5/c1-9-6-11(21-15(27)13(33-4)7-32-21)17-18(30-37-29-17)14(9)20-22(34-5)10(2)19(31(20)3)24-16(28)25-23(36-24)12(26)8-35-25/h6-8H,1-5H3


key: InChI
value:
  InChI=1S/C34H24N6O6S4/c1-39-16(11-19-27(39)31-30(44-19)21(47-5)12-43-31)23-18(42-4)9-13(24-26(23)38-50-36-24)29-34(48-6)33-32(46-29)28-20(45-33)10-15(40(28)2)22-17(41-3)8-7-14-25(22)37-49-35-14/h7-12H,1-6H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cn1C)C)OC)C)c1c(c(c(o1)c1cc(c(c2ccc(s2)c2c(c(c(c3cc(c(c4c3nn(n4)C)c3c(c(c(o3)c3cc(c(c4cccs4)s3)SC)F)C)C)n2C)OC)C)s1)SC)F)C	


key: CAN_SMILES
value:
  COc1c(c2cc(C)c(c3c2nn(n3)C)c2oc(c(c2C)F)c2cc(c(s2)c2cccs2)SC)n(c(c1C)c1ccc(s1)c1sc(cc1SC)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)cc(c1OC)C)C	


key: InChI
value:
  InChI=1S/C58H52F2N8O4S6/c1-25-20-31(49-51(69-11)27(3)24-65(49)7)44-46(63-67(9)61-44)40(25)52-29(5)43(60)56(72-52)37-23-39(74-14)58(78-37)35-18-17-33(76-35)48-30(6)54(70-12)50(66(48)8)32-21-26(2)41(47-45(32)62-68(10)64-47)53-28(4)42(59)55(71-53)36-22-38(73-13)57(77-36)34-16-15-19-75-34/h15-24H,1-14H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cs1)F)SC)F)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)OC)OC)F)s3)SC)F)F)o2)s1)OC)OC	


key: CAN_SMILES
value:
  CSc1c(F)c(sc1c1cc(F)c(c2c1nn(n2)C)c1oc(c(c1OC)OC)c1sc2c(c1)oc1c2occ1F)c1oc2c(c1F)oc1c2sc(c1)c1oc(c(c1OC)OC)c1c(F)cc(c2c1nn(n2)C)c1scc(c1SC)F	


key: InChI
value:
  InChI=1S/C52H30F6N6O10S6/c1-63-59-29-15(46-48(75-7)20(56)14-77-46)9-17(53)25(31(29)61-63)36-42(67-5)41(66-4)35(73-36)24-12-22-50(79-24)45-38(71-22)27(57)39(74-45)51-28(58)52(76-8)47(80-51)16-10-18(54)26(32-30(16)60-64(2)62-32)37-43(68-6)40(65-3)34(72-37)23-11-21-49(78-23)44-33(70-21)19(55)13-69-44/h9-14H,1-8H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1ccc(c(c1)SC)OC)SC)OC)c1[se]c2c3[se]c(cc3[nH]c2c1)c1c(c(c(c2c1nc(c(n2)c1ccc(c(c1)SC)OC)c1cc(c(c(c1)F)SC)F)c1[se]c2c3[se]ccc3[nH]c2c1)OC)SC	


key: CAN_SMILES
value:
  CSc1cc(ccc1OC)c1nc2c(nc1c1cc(F)c(c(c1)F)SC)cc(c(c2c1cc2c([se]1)c1c([nH]2)cc([se]1)c1c(SC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1ccc(c(c1)SC)OC)c1[se]c2c(c1)[nH]c1c2[se]cc1)OC)SC	


key: InChI
value:
  InChI=1S/C66H48F4N6O4S6Se4/c1-77-40-13-11-27(21-42(40)81-5)51-53(29-17-31(67)60(84-8)32(68)18-29)73-36-23-44(83-7)58(79-3)48(55(36)74-51)45-25-38-65(89-45)66-39(72-38)26-47(90-66)50-57-56(49(59(80-4)62(50)86-10)46-24-37-64(88-46)63-35(71-37)15-16-87-63)75-52(28-12-14-41(78-2)43(22-28)82-6)54(76-57)30-19-33(69)61(85-9)34(70)20-30/h11-26,71-72H,1-10H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)OC)SC)OC)c1oc2c(c(c3c(c2C)c(c(o3)c2cc(c(c3c2nc(c(n3)SC)OC)c2oc3c(c(c4c(c3C)c(co4)C)C)c2F)OC)C)C)c1F	


key: CAN_SMILES
value:
  COc1nc2c(cc(c(c2nc1SC)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1)OC)c1oc2c(c1C)c(C)c1c(c2C)c(F)c(o1)c1c(OC)ccc2c1nc(SC)c(n2)OC	


key: InChI
value:
  InChI=1S/C48H40F2N4O8S2/c1-17-16-59-39-21(5)29-33(49)44(61-41(29)18(2)27(17)39)32-26(56-8)15-23(35-37(32)54-48(64-12)46(52-35)58-10)38-19(3)28-20(4)42-30(22(6)40(28)60-38)34(50)43(62-42)31-25(55-7)14-13-24-36(31)53-47(63-11)45(51-24)57-9/h13-16H,1-12H3


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(c2c(cc(n2C)c2c(c(c(c3c(c(c(c4c3nc(c(n4)c3ccc(c(c3)SC)F)c3ccc(cc3)SC)c3c(c(c(n3C)c3c(cc(c4c(ccn4C)SC)s3)C)OC)F)F)SC)o2)F)SC)SC)s1)C)OC)F	


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3oc(c(c3F)SC)c3cc(c(n3C)c3sc(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)SC)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)c1sc(cc1C)c1c(SC)ccn1C)OC)F	


key: InChI
value:
  InChI=1S/C90H74F8N8O4S12/c1-39-33-54(75-50(113-11)31-32-103(75)3)121-86(39)79-84(107-7)65(97)78(105(79)5)58-63(95)89(119-17)60(74-72(58)102-70(44-24-30-48(92)52(36-44)115-13)68(100-74)42-21-27-46(112-10)28-22-42)83-66(98)90(120-18)81(110-83)49-37-53(116-14)76(104(49)4)55-34-40(2)87(122-55)80-85(108-8)64(96)77(106(80)6)57-62(94)88(118-16)59(82-61(93)56(117-15)38-109-82)73-71(57)101-69(43-23-29-47(91)51(35-43)114-12)67(99-73)41-19-25-45(111-9)26-20-41/h19-38H,1-18H3


key: SMILES
value:
  c1(c(c(cc2c1ncc(n2)SC)OC)F)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(c(s3)c2c(c(c(c3c2nc(cn3)SC)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)cc2c1ncc(n2)SC)c1cc(F)cc(c1)SC)C)c1c(OC)c(F)c(c2c1nc(SC)cn2)c1cc2c(s1)c(c1cc(F)cc(c1)SC)c1c(c2c2cc(C)cc(c2)OC)scc1C	


key: InChI
value:
  InChI=1S/C72H54F4N4O4S8/c1-31-13-35(19-41(15-31)81-5)55-45-25-50(91-69(45)57(53-33(3)30-89-71(53)55)37-17-39(73)23-43(21-37)85-9)60-63(76)67(84-8)61(66-65(60)78-29-52(80-66)88-12)68-34(4)54-58(38-18-40(74)24-44(22-38)86-10)70-46(56(72(54)92-68)36-14-32(2)16-42(20-36)82-6)26-49(90-70)59-62(75)48(83-7)27-47-64(59)77-28-51(79-47)87-11/h13-30H,1-12H3


key: SMILES
value:
  c1(c(ccc2nsnc12)OC)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(c(o3)c1cc(c(c2c1nsn2)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F)OC)C)c1cc(c(s1)C)C)F	


key: CAN_SMILES
value:
  CSc1c(SC)cc(n1C)c1c2c(C)c(oc2c(c2c1n(C)c(c2F)c1c(OC)ccc2c1nsn2)c1cc(c(s1)C)C)c1cc(OC)c(c2c1nsn2)c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)occ1C	


key: InChI
value:
  InChI=1S/C64H56F2N8O4S8/c1-25-19-37(83-29(25)5)47-49-51(65)59(73(9)56(49)43(41-27(3)24-77-61(41)47)33-22-39(79-13)63(81-15)71(33)7)46-36(76-12)21-31(53-55(46)70-86-68-53)60-28(4)42-44(34-23-40(80-14)64(82-16)72(34)8)57-50(48(62(42)78-60)38-20-26(2)30(6)84-38)52(66)58(74(57)10)45-35(75-11)18-17-32-54(45)69-85-67-32/h17-24H,1-16H3


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(c(n2C)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)c4ccc(c5cc(cn5C)SC)s4)SC)OC)OC)SC)n3C)OC)s2)F)SC)s1)SC)OC	


key: CAN_SMILES
value:
  CSc1cn(c(c1)c1ccc(s1)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(c(s2)c1c(SC)cc(n1C)c1ccc(s1)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)OC)C	


key: InChI
value:
  InChI=1S/C106H94F6N10O10S14/c1-43-31-45(37-62(135-21)86(43)123-9)69-71(47-33-50(107)88(125-11)51(108)34-47)115-75-66(90(127-13)96(137-23)64(73(75)113-69)81-92(129-15)101-77(119(81)5)54(111)42-141-101)98-95(132-18)85-106(145-98)104(140-26)79(121(85)7)60-30-28-58(143-60)56-40-61(134-20)80(118(56)4)100-68(112)83-102(146-100)93(130-16)82(122(83)8)65-74-76(116-72(48-35-52(109)89(126-12)53(110)36-48)70(114-74)46-32-44(2)87(124-10)63(38-46)136-22)67(91(128-14)97(65)138-24)99-94(131-17)84-105(144-99)103(139-25)78(120(84)6)59-29-27-57(142-59)55-39-49(133-19)41-117(55)3/h27-42H,1-26H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)c1cc(c(s1)c1c(c2c(c(c(s2)c2c(cc(c3c4c(c(o3)c3cc(c(s3)c3c(c5c(c(cs5)C)n3C)OC)OC)C(=O)c3c(C4=O)ccc(c3)OC)o2)F)C)n1C)OC)OC	


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1cc(c(s1)c1n(C)c2c(c1OC)scc2C)OC)c1oc(c(c1)F)c1sc2c(c1C)n(c(c2OC)c1sc(cc1OC)c1oc(c2c1C(=O)c1c(C2=O)ccc(c1)OC)c1occ(c1)F)C	


key: InChI
value:
  InChI=1S/C62H42F2N2O14S4/c1-23-22-81-61-43(23)65(3)45(56(61)75-9)59-35(73-7)19-38(82-59)55-42-40(48(68)29-14-12-27(72-6)17-31(29)50(42)70)53(80-55)34-18-32(64)51(78-34)58-24(2)44-62(84-58)57(76-10)46(66(44)4)60-36(74-8)20-37(83-60)54-41-39(52(79-54)33-15-25(63)21-77-33)47(67)28-13-11-26(71-5)16-30(28)49(41)69/h11-22H,1-10H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1ccc(c(c1)C)F)c1ccc(c(c1)C)OC)OC)F)c1c(cc(c2c(cc(n2C)c2c(c(c(c3c2nc(c(n3)c2ccc(c(c2)C)OC)c2ccc(c(c2)C)F)c2c(cc(c3c(ccn3C)SC)s2)C)F)OC)SC)s1)C	


key: CAN_SMILES
value:
  COc1ccc(cc1C)c1nc2c(c3sc(cc3C)c3c(SC)ccn3C)c(F)c(c(c2nc1c1ccc(c(c1)C)F)c1cc(c(n1C)c1cc(c(s1)c1c(F)c(OC)cc2c1nc(c1ccc(c(c1)C)OC)c(n2)c1ccc(c(c1)C)F)C)SC)OC	


key: InChI
value:
  InChI=1S/C70H60F4N6O4S4/c1-33-25-39(15-19-43(33)71)59-60(41-17-21-47(81-9)35(3)27-41)76-63-45(75-59)31-49(83-11)57(73)55(63)69-38(6)30-53(88-69)67-51(86-14)32-46(80(67)8)54-64-65(56(58(74)68(54)84-12)70-37(5)29-52(87-70)66-50(85-13)23-24-79(66)7)78-62(42-18-22-48(82-10)36(4)28-42)61(77-64)40-16-20-44(72)34(2)26-40/h15-32H,1-14H3


key: SMILES
value:
  c1(c(c(cc2nonc12)SC)SC)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(c(o3)c1c(c(c(c2c1non2)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F)SC)SC)C)c1cc(c(s1)C)C)F	


key: CAN_SMILES
value:
  CSc1c(SC)cc(n1C)c1c2c(C)c(oc2c(c2c1n(C)c(c2F)c1c(SC)c(SC)cc2c1non2)c1cc(c(s1)C)C)c1c(SC)c(SC)c(c2c1non2)c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)occ1C	


key: InChI
value:
  InChI=1S/C66H60F2N8O4S10/c1-25-19-34(89-29(25)5)43-45-50(67)58(75(9)55(45)41(39-27(3)24-77-60(39)43)32-22-37(82-12)65(87-17)73(32)7)48-53-54(72-80-71-53)49(64(86-16)63(48)85-15)59-28(4)40-42(33-23-38(83-13)66(88-18)74(33)8)56-46(44(61(40)78-59)35-20-26(2)30(6)90-35)51(68)57(76(56)10)47-52-31(69-79-70-52)21-36(81-11)62(47)84-14/h19-24H,1-18H3


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


key: InChI
value:
  InChI=1S/C33H32FN3O4S3/c1-15-14-40-31(32(15)43-9)24-27-26(36-33(39-7)18(4)35-27)23(16(2)28(24)38-6)29-17(3)25(34)30(41-29)22-11-10-21(44-22)20-12-19(42-8)13-37(20)5/h10-14H,1-9H3


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)c2[se]c3c4occc4[SiH2]c3c2)F)n1C)F	


key: InChI
value:
  InChI=1S/C46H29F6N3O3S5SeSi/c1-16-9-17(11-19(47)10-16)32-33(18-12-21(56-3)28(49)22(13-18)59-5)54-35-27(42-31(52)45-40(62-42)20(48)15-61-45)43(60-6)39(57-4)26(34(35)53-32)36-29(50)44-37(55(36)2)30(51)41(63-44)23-14-25-46(64-23)38-24(65-25)7-8-58-38/h7-15H,65H2,1-6H3


key: CAN_SMILES
value:
  COc1c(SC)c(c2c(c1c1n(C)c3c(c1F)sc(c3F)c1cc3c([se]1)c1c([SiH2]3)cco1)nc(c(n2)c1cc(OC)c(c(c1)SC)F)c1cc(C)cc(c1)F)c1sc2c(c1F)scc2F	


key: InChI
value:
  InChI=1S/C29H20F3N3O3S3Se2/c1-10-29(37-3)35-19-15(22-23(39-4)11(30)9-38-22)17(31)21(36-2)16(20(19)33-10)25-26(40-5)18(32)24(41-25)14-8-13-28(43-14)27-12(34-13)6-7-42-27/h6-9,34H,1-5H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)OC)SC)OC)c1sc2c(c(c3c(c2c2cc(c(cc2)OC)C)cc(n3C)c2cc(c(c3c2nc(c(n3)SC)OC)c2sc3c(c(c4c(c3c3cc(c(cc3)OC)C)ccn4C)c3cc(c(c(c3)F)OC)F)c2SC)OC)c2cc(c(c(c2)F)OC)F)c1SC	


key: CAN_SMILES
value:
  COc1nc2c(nc1SC)c(c(cc2c1cc2c(n1C)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)sc(c1SC)c1c(OC)ccc2c1nc(SC)c(n2)OC)OC)c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)ccn1C	


key: InChI
value:
  InChI=1S/C76H64F4N6O8S6/c1-33-25-35(17-20-48(33)87-5)52-39-23-24-85(3)63(39)54(37-27-42(77)65(91-9)43(78)28-37)58-67(52)99-72(69(58)95-13)57-51(90-8)32-40(60-62(57)84-76(98-16)74(82-60)94-12)47-31-41-53(36-18-21-49(88-6)34(2)26-36)68-59(55(64(41)86(47)4)38-29-44(79)66(92-10)45(80)30-38)70(96-14)71(100-68)56-50(89-7)22-19-46-61(56)83-75(97-15)73(81-46)93-11/h17-32H,1-16H3


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)c1cc2c(c3c(c(c(o3)c3c(c4c(c(c(c5c(c(c(c6c5nc(c(n6)OC)OC)c5c(c6c(s5)c(c(n6C)c5cc6c(c7c(c(co7)F)o6)s5)SC)F)SC)C)n4C)SC)o3)C)F)o2)s1)SC)F	


key: CAN_SMILES
value:
  COc1nc2c(c(SC)c(c(c2nc1OC)c1n(C)c2c(c1SC)oc(c2C)c1oc2c(c1F)oc1c2sc(c1)c1n(C)c2c(c1SC)sc(c2F)c1c(SC)c(C)c(c2c1nc(OC)c(n2)OC)c1n(C)c2c(c1SC)occ2C)C)c1sc2c(c1F)n(c(c2SC)c1cc2c(s1)c1c(o2)c(co1)F)C	


key: InChI
value:
  InChI=1S/C74H58F4N8O10S10/c1-23-21-91-55-43(23)83(5)47(65(55)99-15)32-24(2)59(97-13)34(41-39(32)79-71(87-9)73(81-41)89-11)63-37(77)50-70(106-63)68(102-18)46(86(50)8)31-20-29-62(104-31)58-54(94-29)38(78)53(96-58)51-26(4)44-56(95-51)66(100-16)48(84(44)6)33-25(3)60(98-14)35(42-40(33)80-72(88-10)74(82-42)90-12)64-36(76)49-69(105-64)67(101-17)45(85(49)7)30-19-28-61(103-30)57-52(93-28)27(75)22-92-57/h19-22H,1-18H3


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)c1sc2c3[se]ccc3[GeH2]c2c1)F	


key: InChI
value:
  InChI=1S/C49H38F3GeN3O5S4Se/c1-19-18-62-48-43(61-9)47(65-44(19)48)34-39-38(54-37(23-14-29(57-5)21(3)30(15-23)58-6)36(55-39)22-12-24(50)20(2)25(51)13-22)33(41(59-7)42(34)60-8)31-17-28-46(63-31)35(52)40(56(28)4)32-16-27-45(64-32)49-26(53-27)10-11-66-49/h10-18H,53H2,1-9H3


key: CAN_SMILES
value:
  COc1c(OC)c(c2c(c1c1cc3c(s1)c(c(n3C)c1cc3c(s1)c1c([GeH2]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/C29H22F2N4O2S2Se2/c1-12-23(35(2)24(25(12)36-3)16-10-14-29(41-16)28-13(34-14)6-9-40-28)17-19(30)20(31)18(22-21(17)32-7-8-33-22)26-27(39-5)15(38-4)11-37-26/h6-11,34H,1-5H3


key: InChI
value:
  InChI=1S/C34H29FN4O4S4/c1-14-22(31-32(40-6)33-30(43-31)18(35)13-41-33)24-25(37-47-36-24)23(34(14)45-8)28-16(3)27-29(42-28)15(2)26(39(27)5)21-10-9-20(46-21)19-11-17(44-7)12-38(19)4/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C29H20F4N4O2S4/c1-10-29(33)36-19-15(27(40-4)28(41-5)16(20(19)34-10)26-23(38-3)11(30)9-43-26)22-18(32)17(31)21(37(22)2)14-8-13-24(39-14)25-12(35-13)6-7-42-25/h6-9,35H,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)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)c(c(o3)c2ccc(c3c4c(c([se]3)c3cc(c([se]3)C3=C([C]5C(=C6[C](C(=C5O3)[C]3C=C([C](C(=C3)C)C)C)C(=CO6)OC)[C]3C=C([C](C(=C3)F)C)F)SC)OC)C(=O)c3c(C4=O)cc(c(c3)OC)F)[se]2)OC)c2cc(c(c(c2)F)C)F)c1SC)OC	


key: CAN_SMILES
value:
  COC1=COC2=C([C]3C(=C([C]12)[C]1C=C(C)[C](C(=C1)C)C)OC(=C3SC)c1[se]c(cc1OC)c1[se]c(c2c1C(=O)c1cc(OC)c(cc1C2=O)F)c1ccc([se]1)c1oc2c(c1OC)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)F)C)c(SC)c(o1)c1[se]c(cc1OC)c1[se]c(c2c1C(=O)c1cc(OC)c(cc1C2=O)F)c1ccc[se]1)[C]1C=C(F)[C](C(=C1)F)C	


key: InChI
value:
  InChI=1S/C100H68F6O14S2Se6/c1-37-22-45(23-38(2)41(37)5)69-73-63(115-13)36-117-86(73)71(47-26-53(101)43(7)54(102)27-47)79-88(69)119-91(93(79)121-15)95-62(114-12)35-68(126-95)100-77-75(82(108)50-31-58(106)60(112-10)33-52(50)84(77)110)98(128-100)66-20-19-64(124-66)85-90(116-14)78-70(46-24-39(3)42(6)40(4)25-46)89-80(72(87(78)118-85)48-28-55(103)44(8)56(104)29-48)94(122-16)92(120-89)96-61(113-11)34-67(125-96)99-76-74(97(127-99)65-18-17-21-123-65)81(107)49-30-57(105)59(111-9)32-51(49)83(76)109/h17-36H,1-16H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)F)C(=O)c1c(scc1C2=O)C)c1cc(c(s1)c1c(c2c(c(c(o2)c2c(cc(c3c4c(c(o3)c3cc(c(s3)c3c(c5c(c(co5)OC)n3C)OC)SC)C(=O)c3c(C4=O)c(sc3)C)s2)F)OC)n1C)OC)SC	


key: CAN_SMILES
value:
  COc1c(oc2c1n(C)c(c2OC)c1sc(cc1SC)c1oc(c2c1C(=O)c1csc(c1C2=O)C)c1scc(c1)F)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)csc1C)c1cc(c(s1)c1c(OC)c2c(n1C)c(co2)OC)SC	


key: InChI
value:
  InChI=1S/C58H38F2N2O12S8/c1-19-32-22(17-77-19)42(63)34-36(44(32)65)46(26-11-21(59)16-79-26)72-48(34)28-13-31(76-10)58(82-28)41-52(70-8)54-39(62(41)4)50(68-6)55(74-54)56-24(60)12-27(80-56)47-37-35(43(64)23-18-78-20(2)33(23)45(37)66)49(73-47)29-14-30(75-9)57(81-29)40-51(69-7)53-38(61(40)3)25(67-5)15-71-53/h11-18H,1-10H3


key: SMILES
value:
  c1(cc(cc2nn(nc12)C)F)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)cc(s3)c2c(cc(c3c2nn(n3)C)c2oc3c(c(c4c(c3c3cc(c(o3)C)SC)ccs4)c3cc(c(F)n3C)OC)c2OC)F)c2cc(c(F)n2C)OC)c1OC	


key: CAN_SMILES
value:
  COc1cc(n(c1F)C)c1c2sc(cc2c(c2c1c(OC)c(o2)c1cc(F)cc2c1nn(n2)C)c1oc(c(c1)SC)C)c1c(F)cc(c2c1nn(n2)C)c1oc2c(c1OC)c(c1c(c2c2oc(c(c2)SC)C)ccs1)c1cc(c(n1C)F)OC	


key: InChI
value:
  InChI=1S/C60H46F4N8O8S4/c1-23-38(81-11)21-34(77-23)41-26-13-14-83-57(26)44(32-19-36(73-7)59(63)69(32)3)46-53(41)80-52(55(46)75-9)29-17-30(62)43(50-49(29)67-72(6)68-50)40-18-27-42(35-22-39(82-12)24(2)78-35)54-47(45(58(27)84-40)33-20-37(74-8)60(64)70(33)4)56(76-10)51(79-54)28-15-25(61)16-31-48(28)66-71(5)65-31/h13-22H,1-12H3


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(c2c(ccs2)SC)o1)C)OC)F	


key: InChI
value:
  InChI=1S/C44H35F4N3O3S6/c1-20-17-25(54-40(20)43-26(56-5)15-16-60-43)38-42(52-3)33(48)39(51(38)2)29-32(47)44(59-8)30(41-31(46)28(58-7)19-53-41)37-36(29)50-35(22-11-14-24(45)27(18-22)57-6)34(49-37)21-9-12-23(55-4)13-10-21/h9-19H,1-8H3


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(c(c1)C)c1sccc1SC)OC)F	


key: InChI
value:
  InChI=1S/C29H20F3N3O3S4/c1-11-22(35(2)23(24(11)36-3)13-8-14-29(41-13)26-27(42-14)12(30)9-37-26)16-18(31)19(32)17(21-20(16)33-6-7-34-21)25-28(40-5)15(39-4)10-38-25/h6-10H,1-5H3


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(c(o3)c3c(c(c(c4c(c(c(c5c4nc(c(n5)OC)C)c4c(c(c(o4)c4c(c5c(c6c(c(co6)F)o5)s4)SC)F)C)C)OC)o3)SC)C)F)o2)s1)SC)F)C	


key: CAN_SMILES
value:
  CSc1c(C)c(oc1c1c(OC)c(C)c(c2c1nc(C)c(n2)OC)c1oc(c(c1C)F)c1sc2c(c1SC)oc1c2occ1F)c1oc2c(c1F)oc1c2sc(c1SC)c1oc(c(c1F)C)c1c(C)c(OC)c(c2c1nc(OC)c(n2)C)c1occ(c1SC)C	


key: InChI
value:
  InChI=1S/C64H50F4N4O12S6/c1-19-17-77-45(55(19)85-13)30-37-35(71-63(75-11)25(7)69-37)28(20(2)39(30)73-9)41-23(5)33(67)50(80-41)62-60(88-16)54-58(90-62)52-48(84-54)34(68)47(83-52)43-24(6)56(86-14)46(81-43)31-38-36(72-64(76-12)26(8)70-38)29(21(3)40(31)74-10)42-22(4)32(66)49(79-42)61-59(87-15)53-57(89-61)51-44(82-53)27(65)18-78-51/h17-18H,1-16H3


key: InChI
value:
  InChI=1S/C29H20F4N4O2S3Se/c1-10-29(33)36-19-15(26(40-4)27(41-5)16(20(19)34-10)25-23(38-3)11(30)9-42-25)22-18(32)17(31)21(37(22)2)14-8-13-24(39-14)28-12(35-13)6-7-43-28/h6-9,35H,1-5H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)F)C(=O)c1c(scc1C2=O)C)c1cc(c(s1)c1cc2c(c3c(c(c(o3)c3c(cc(c4c5c(c(o4)c4cc(c(s4)c4cc6c(c7c(c(co7)SC)o6)n4C)SC)C(=O)c4c(C5=O)c(sc4)C)s3)F)SC)o2)n1C)SC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1cc2c(n1C)c1c(o2)c(c(o1)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)csc1C)c1sc(c(c1)SC)c1cc2c(n1C)c1c(o2)c(co1)SC)SC)c1oc(c2c1C(=O)c1csc(c1C2=O)C)c1scc(c1)F	


key: InChI
value:
  InChI=1S/C60H34F2N2O10S10/c1-19-36-22(17-79-19)44(65)38-40(46(36)67)48(29-9-21(61)16-81-29)72-50(38)31-13-34(76-6)59(83-31)26-12-28-43(64(26)4)54-55(71-28)60(78-8)56(74-54)57-24(62)10-30(82-57)49-41-39(45(66)23-18-80-20(2)37(23)47(41)68)51(73-49)32-14-33(75-5)58(84-32)25-11-27-42(63(25)3)53-52(70-27)35(77-7)15-69-53/h9-18H,1-8H3


key: InChI
value:
  InChI=1S/C19H14FN3OS4/c1-25-12-7-9-14(23-19(27-3)18(20)22-9)13(17(12)26-2)11-6-10-15(24-11)16-8(21-10)4-5-28-16/h4-7,21H,1-3H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)c1cc(c(s1)c1oc2c(c(c3c(c2C)c(c(o3)c2c(cc(c3c4c(c(o3)c3cc(c(s3)C3=C([C]5C(=C6[C](C(=C5O3)C)C(=CO6)C)C)F)OC)C(=O)c3c(C4=O)ccc(c3)OC)o2)F)C)C)c1F)OC	


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1sc(c(c1)OC)C1=C(F)[C]2C(=C(C)[C]3C(=C2C)OC=C3C)O1)c1cc(c(o1)c1oc2c(c1C)c(C)c1c(c2C)c(F)c(o1)c1sc(cc1OC)c1oc(c2c1C(=O)c1cc(OC)ccc1C2=O)c1occ(c1)F)F	


key: InChI
value:
  InChI=1S/C70H42F4O16S2/c1-23-21-84-57-27(5)45-51(73)67(87-59(45)24(2)43(23)57)69-40(82-10)20-42(92-69)66-50-48(54(76)33-14-12-31(80-8)17-35(33)56(50)78)64(90-66)38-18-36(72)62(85-38)61-26(4)44-25(3)60-46(28(6)58(44)86-61)52(74)68(88-60)70-39(81-9)19-41(91-70)65-49-47(63(89-65)37-15-29(71)22-83-37)53(75)32-13-11-30(79-7)16-34(32)55(49)77/h11-22H,1-10H3


key: InChI
value:
  InChI=1S/C34H27F2N5O2S6/c1-12-18(24-33(45-7)25-23(40(24)4)17(44-6)10-39(25)3)21-22(38-41(5)37-21)19(20(12)36)32-34(46-8)28-29(49-32)13(2)26(43-28)15-9-16-31(47-15)27-30(48-16)14(35)11-42-27/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C16H13GeN3OS/c1-8-3-4-11-14(19-20(2)18-11)13(8)12-7-10-15(21-12)16-9(17-10)5-6-22-16/h3-7H,17H2,1-2H3


key: InChI
value:
  InChI=1S/C30H25F2N3O3S4/c1-14-26(35(2)27(28(14)36-3)18-8-7-17(42-18)16-11-15(39-4)12-37-16)20-22(31)23(32)21(25-24(20)33-9-10-34-25)29-30(41-6)19(40-5)13-38-29/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C26H7F3O5S3Se/c27-9-4-11(35-23(9)12-5-13-25(37-12)22-24(36-13)10(28)7-32-22)20-17-16(21(34-20)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/C31H24F2N4O3S4/c1-11-9-41-31-22(11)37(5)23(27(31)38-6)16-8-15-30(43-16)28(39-7)24(36(15)4)17-12(2)19(33)18(21-20(17)34-44-35-21)25-13(3)29-26(40-25)14(32)10-42-29/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C28H15F2NO4S3Se/c1-31-10-12(36-2)8-15(31)16-5-6-17(37-16)27-14(29)9-18(38-27)25-22-21(26(35-25)19-4-3-7-39-19)23(32)13-11-34-28(30)20(13)24(22)33/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C16H10FN3OS2/c1-7-3-4-9-13(19-20(2)18-9)12(7)10-5-11-16(22-10)14-15(23-11)8(17)6-21-14/h3-6H,1-2H3


key: InChI
value:
  InChI=1S/C31H21F2N3O2S6/c1-12-20(23-24(35-44-34-23)21(22(12)33)26-13(2)29-27(38-26)14(32)11-41-29)25-28(37-4)30-15(36(25)3)9-17(42-30)18-10-19(39-5)31(43-18)16-7-6-8-40-16/h6-11H,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)c1sc2c(c(c3c(c2c2ccc(s2)F)c(c(s3)c2c(c(c(c3c(c(c(c4c3nc(c(n4)F)C)c3c(c(c(n3C)c3sc4c(c(c5c(c4c4ccc(s4)F)c(cs5)SC)c4cc(c(s4)OC)C)c3)F)F)SC)SC)s2)OC)F)SC)c2cc(c(s2)OC)C)c1)F)F	


key: CAN_SMILES
value:
  COc1c(F)c(sc1c1c(SC)c(SC)c(c2c1nc(C)c(n2)F)c1c(F)c(c(n1C)c1cc2c(s1)c(c1ccc(s1)F)c1c(c2c2cc(c(s2)OC)C)scc1SC)F)c1sc2c(c1SC)c(c1ccc(s1)F)c1c(c2c2cc(c(s2)OC)C)cc(s1)c1c(F)c(c(n1C)c1c(SC)c(SC)c(c2c1nc(F)c(n2)C)c1scc(c1OC)F)F	


key: InChI
value:
  InChI=1S/C84H58F10N6O4S16/c1-27-21-36(117-83(27)103-9)43-31-23-38(115-68(31)45(34-17-19-41(86)113-34)47-40(105-11)26-112-70(43)47)62-53(88)56(91)65(99(62)5)50-59-61(96-30(4)82(94)98-59)52(78(110-16)76(50)108-14)73-67(102-8)57(92)79(120-73)80-74(106-12)48-46(35-18-20-42(87)114-35)69-32(44(71(48)119-80)37-22-28(2)84(104-10)118-37)24-39(116-69)63-54(89)55(90)64(100(63)6)49-58-60(95-29(3)81(93)97-58)51(77(109-15)75(49)107-13)72-66(101-7)33(85)25-111-72/h17-26H,1-16H3


key: InChI
value:
  InChI=1S/C34H26FN3O5S5/c1-38-8-7-16(35)29(38)33-24(45-4)12-22(48-33)17-10-20-32(41-17)34(47-6)30(43-20)15-9-23(44-3)26(28-27(15)37-25(46-5)13-36-28)18-11-19-31(42-18)21(39-2)14-40-19/h7-14H,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)SC)s1)SC)OC	


key: InChI
value:
  InChI=1S/C53H48F3N5O5S7/c1-23-16-24(19-33(68-11)44(23)62-5)36-37(25-17-27(54)45(63-6)28(55)18-25)58-39-35(46(64-7)49(69-12)34(38(39)57-36)42-47(65-8)51-40(60(42)3)29(56)22-71-51)50-48(66-9)43-53(73-50)52(70-13)41(61(43)4)32-15-14-31(72-32)30-20-26(67-10)21-59(30)2/h14-22H,1-13H3


key: CAN_SMILES
value:
  CSc1cc(n(c1)C)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/C28H13F2NO6S2Se/c1-31-12(7-13-20(31)26-24(36-13)15(38-2)9-34-26)27-11(29)6-14(39-27)23-19-18(25(37-23)16-4-3-5-40-16)21(32)10-8-35-28(30)17(10)22(19)33/h3-9H,1-2H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(c[se]1)SC)C(=O)c1c(oc(c1C2=O)C)SC)c1cc(c(o1)c1[se]c2c3sc(cc3[SiH2]c2c1)c1c(cc(c2c3c(c(s2)c2cc(c(o2)c2[se]c4c5sccc5[SiH2]c4c2)C)C(=O)c2c(C3=O)c(oc2C)SC)[se]1)SC)C	


key: CAN_SMILES
value:
  CSc1c[se]c(c1)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1cc(c(o1)c1cc2c([se]1)c1c([SiH2]2)cc(s1)c1[se]c(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1cc(c(o1)c1[se]c2c(c1)[SiH2]c1c2scc1)C)C	


key: InChI
value:
  InChI=1S/C60H38O8S8Se4Si2/c1-19-12-25(68-48(19)28-16-34-57(78-28)54-32(81-34)9-10-73-54)51-39-41(47(64)43-37(45(39)62)22(4)66-60(43)72-8)53(76-51)31-14-26(70-6)56(80-31)27-15-33-55(74-27)58-35(82-33)17-29(79-58)49-20(2)11-24(67-49)50-38-40(52(75-50)30-13-23(69-5)18-77-30)46(63)42-36(44(38)61)21(3)65-59(42)71-7/h9-18H,81-82H2,1-8H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1c(cc(c2c(cc(n2C)c2c(c3c(c(c(c4c(c(c(c5c4nsn5)c4c(c5c(o4)c(c(n5C)c4c(cc(c5c(ccn5C)SC)o4)OC)C)C)SC)C)o3)OC)o2)F)SC)o1)OC)C)C	


key: CAN_SMILES
value:
  CSc1cc(n(c1c1cc(c(o1)c1n(C)c2c(c1C)oc(c2C)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)OC)C)c1oc2c(c1F)oc(c2OC)c1c(C)c(SC)c(c2c1nsn2)c1oc2c(c1C)n(c(c2C)c1oc(cc1OC)c1n(C)ccc1SC)C	


key: InChI
value:
  InChI=1S/C70H60F2N8O12S6/c1-25-39(62-65(83-13)67-58(90-62)31(71)24-85-67)44-46(75-97-73-44)41(69(25)95-17)54-28(4)49-57(89-54)30(6)51(80(49)10)61-36(82-12)23-34(87-61)53-38(94-16)21-32(78(53)8)59-43(72)64-68(91-59)66(84-14)63(92-64)40-26(2)70(96-18)42(47-45(40)74-98-76-47)55-27(3)48-56(88-55)29(5)50(79(48)9)60-35(81-11)22-33(86-60)52-37(93-15)19-20-77(52)7/h19-24H,1-18H3


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)c1oc2c(c(c3c(c2OC)c(co3)C)F)c1F)F	


key: InChI
value:
  InChI=1S/C53H40F5N3O8S3/c1-19-17-68-43-31(19)44(64-8)47-33(35(43)56)36(57)48(69-47)42-37(58)51-27(61(42)5)16-30(71-51)32-40-41(34(46(66-10)45(32)65-9)52-49(67-11)53-50(72-52)20(2)18-70-53)60-38(23-12-25(54)21(3)26(55)13-23)39(59-40)24-14-28(62-6)22(4)29(15-24)63-7/h12-18H,1-11H3


key: CAN_SMILES
value:
  COc1cc(cc(c1C)OC)c1nc2c(c3sc4c(c3)n(c(c4F)c3oc4c(c3F)c(F)c3c(c4OC)c(C)co3)C)c(OC)c(c(c2nc1c1cc(F)c(c(c1)F)C)c1sc2c(c1OC)scc2C)OC	


key: SMILES
value:
  c1(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)c1cc(c(s1)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(c(s3)c2c(cc(c3c4c(c(o3)c3cc(c(s3)c3sc5c(c(c6c(c5c5cc(cc(c5)F)SC)c(cs6)C)c5cc(cc(c5)C)OC)c3)OC)C(=O)c3c(C4=O)ccc(c3)OC)o2)F)C)c2cc(cc(c2)C)OC)c1)OC	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2sc(c(c2c(c2c1cc(s2)c1sc(cc1OC)c1oc(c2c1C(=O)c1c(C2=O)ccc(c1)OC)c1occ(c1)F)c1cc(F)cc(c1)SC)C)c1oc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)cc(cc1)OC)c1sc(c(c1)OC)c1sc2c(c1)c(c1cc(C)cc(c1)OC)c1c(c2c2cc(F)cc(c2)SC)c(C)cs1	


key: InChI
value:
  InChI=1S/C96H62F4O14S8/c1-39-17-43(23-52(19-39)107-7)73-60-32-69(120-91(60)75(71-41(3)38-117-95(71)73)45-21-47(97)27-54(25-45)115-11)93-66(110-10)36-68(119-93)89-80-78(82(102)57-16-14-51(106-6)31-59(57)84(80)104)87(114-89)64-34-62(100)85(112-64)90-42(4)72-76(46-22-48(98)28-55(26-46)116-12)92-61(74(96(72)122-90)44-18-40(2)20-53(24-44)108-8)33-70(121-92)94-65(109-9)35-67(118-94)88-79-77(86(113-88)63-29-49(99)37-111-63)81(101)56-15-13-50(105-5)30-58(56)83(79)103/h13-38H,1-12H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(ccs2)n1C)SC)SC)OC)c1c(c2c(c(c(o2)c2c(c3c(c4c(c(c3n2C)c2cc(c(SC)n2C)SC)c(co4)C)c2cc(c(s2)C)C)F)C)n1C)F	


key: CAN_SMILES
value:
  CSc1c(SC)cc(n1C)c1c2c(C)coc2c(c2c1n(C)c(c2F)c1oc2c(c1C)n(c(c2F)c1c(OC)c(SC)c(c2c1nn(n2)C)c1c(SC)c2c(n1C)ccs2)C)c1cc(c(s1)C)C	


key: InChI
value:
  InChI=1S/C50H47F2N7O3S6/c1-20-17-26(68-23(20)4)30-31-34(51)42(58(8)39(31)29(28-21(2)19-61-44(28)30)25-18-27(63-11)50(66-14)56(25)6)43-22(3)38-46(62-43)35(52)40(57(38)7)32-36-37(54-59(9)53-36)33(48(64-12)45(32)60-10)41-49(65-13)47-24(55(41)5)15-16-67-47/h15-19H,1-14H3


key: SMILES
value:
  c1(cc(c(c2c1nc(cn2)SC)c1cc2c(o1)c(co2)OC)SC)c1c(c2c(o1)cc(o2)c1oc2c(c(c3c(c2OC)c(c(o3)c2c(c3c(cc(c4c(cc(c5c4ncc(n5)SC)c4c(c5c(o4)cc(o5)c4oc5c(c(c6c(c5OC)c(co6)C)F)c4F)SC)SC)o3)o2)OC)C)F)c1F)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(cc(c2c1cc2c(o1)c(c(o2)c1oc2c(c1C)c(OC)c1c(c2F)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(F)c1c(c2OC)c(C)co1	


key: InChI
value:
  InChI=1S/C72H46F4N4O16S6/c1-23-21-86-63-40(23)65(82-4)67-44(48(63)75)46(73)58(95-67)30-17-33-61(91-30)72(102-12)56(89-33)26-14-37(98-8)43(53-51(26)80-39(100-10)20-78-53)28-16-32-60(88-28)69(84-6)70(93-32)54-24(2)41-64(94-54)49(76)45-47(74)59(96-68(45)66(41)83-5)31-18-34-62(92-31)71(101-11)55(90-34)25-13-36(97-7)42(52-50(25)79-38(99-9)19-77-52)27-15-29-57(87-27)35(81-3)22-85-29/h13-22H,1-12H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)C)c1c(c(co1)F)SC)F)OC)c1c(c(c(s1)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(c(s3)c2c(c(c(c3c(c(c(c4c3nc(c(n4)C)OC)c3c(c(c(s3)c3sc4c(c(c5c(c4c4cc(cc(c4)F)SC)c(cs5)C)c4cc(cc(c4)C)OC)c3)F)SC)OC)F)o2)SC)F)C)c2cc(cc(c2)C)OC)c1)F)SC	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2sc(c(c2c(c2c1cc(s2)c1sc(c(c1F)SC)c1c(OC)c(F)c(c2c1nc(C)c(n2)OC)c1occ(c1SC)F)c1cc(F)cc(c1)SC)C)c1oc(c(c1F)SC)c1c(F)c(OC)c(c2c1nc(OC)c(n2)C)c1sc(c(c1SC)F)c1cc2c(s1)c(c1cc(F)cc(c1)SC)c1c(c2c2cc(C)cc(c2)OC)scc1C	


key: InChI
value:
  InChI=1S/C94H70F8N4O8S12/c1-35-19-41(25-47(21-35)107-7)58-51-31-54(122-81(51)60(56-37(3)34-121-86(56)58)43-23-45(95)29-49(27-43)115-13)84-69(101)92(120-18)89(125-84)65-74-72(106-94(112-12)40(6)104-74)63(67(99)76(65)110-10)78-90(118-16)68(100)79(114-78)80-38(4)57-61(44-24-46(96)30-50(28-44)116-14)82-52(59(87(57)124-80)42-20-36(2)22-48(26-42)108-8)32-55(123-82)85-70(102)91(119-17)88(126-85)64-73-71(105-93(111-11)39(5)103-73)62(66(98)75(64)109-9)77-83(117-15)53(97)33-113-77/h19-34H,1-18H3


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C50H43F3N4O8S3/c1-20-19-66-50-46(64-12)49(68-47(20)50)33-38-37(54-36(24-15-28(58-6)22(3)29(16-24)59-7)35(55-38)23-13-25(51)21(2)26(52)14-23)32(42(61-9)43(33)62-10)31-17-27-48(67-31)34(53)40(56(27)4)41-44(63-11)45-39(57(41)5)30(60-8)18-65-45/h13-19H,1-12H3


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C34H33FN6O3S4/c1-14-13-48-33-22(14)39(4)26(30(33)43-8)27-15(2)23-29(44-27)19(35)24(40(23)5)17-20-21(37-41(6)36-20)18(32(45-9)28(17)42-7)25-34(46-10)31-16(38(25)3)11-12-47-31/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C29H17FO5S5/c1-12-10-18(37-11-12)27-20-19(23(31)21-22(24(20)32)29(36-3)40-28(21)30)26(35-27)17-7-5-15(39-17)14-4-6-16(38-14)25-13(33-2)8-9-34-25/h4-11H,1-3H3


key: SMILES
value:
  c1(c(c(cc2nonc12)OC)OC)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(c(s3)c1c(c(c(c2c1non2)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)OC)OC)SC)c1cc(c(s1)C)F)C	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)c(sc2c(c2c1n(C)c(c2C)c1c(OC)c(OC)cc2c1non2)c1sc(c(c1)F)C)c1c(OC)c(OC)c(c2c1non2)c1n(C)c2c(c1C)c(c1sc(c(c1)F)C)c1c(c2c2ccc(s2)SC)c(SC)cs1	


key: InChI
value:
  InChI=1S/C62H50F2N6O6S10/c1-23-38-42(33-19-27(63)25(3)82-33)59-44(35(77-11)22-81-59)40(31-15-17-36(78-12)84-31)54(38)70(6)53(23)47-50-51(68-76-67-50)48(58(74-10)57(47)73-9)62-61(80-14)45-41(32-16-18-37(79-13)85-32)55-39(43(60(45)86-62)34-20-28(64)26(4)83-34)24(2)52(69(55)5)46-49-29(65-75-66-49)21-30(71-7)56(46)72-8/h15-22H,1-14H3


key: InChI
value:
  InChI=1S/C35H31FN4O6S3/c1-14-21(32-33(42-7)34-30(46-32)17(36)13-43-34)23-24(38-49-37-23)22(35(14)48-9)28-15(2)25-29(45-28)16(3)26(40(25)5)31-19(41-6)12-18(44-31)27-20(47-8)10-11-39(27)4/h10-13H,1-9H3


key: SMILES
value:
  c1(cc(cc2c1nc(c(n2)SC)SC)F)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)cc(s3)c2c(cc(c3c2nc(c(n3)SC)SC)c2oc3c(c(c4c(c3c3cc(c(o3)C)SC)ccs4)c3cc(c(F)n3C)OC)c2OC)F)c2cc(c(F)n2C)OC)c1OC	


key: CAN_SMILES
value:
  CSc1nc2c(c(F)cc(c2nc1SC)c1oc2c(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)ccs1)c1cc2c(s1)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)oc(c1OC)c1cc(F)cc2c1nc(SC)c(n2)SC	


key: InChI
value:
  InChI=1S/C66H52F4N6O8S8/c1-25-40(85-9)23-36(81-25)43-28-15-16-91-59(28)46(34-21-38(77-5)61(69)75(34)3)48-55(43)84-54(57(48)79-7)31-19-32(68)45(52-51(31)73-65(89-13)66(74-52)90-14)42-20-29-44(37-24-41(86-10)26(2)82-37)56-49(47(60(29)92-42)35-22-39(78-6)62(70)76(35)4)58(80-8)53(83-56)30-17-27(67)18-33-50(30)72-64(88-12)63(71-33)87-11/h15-24H,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)c1oc2c3[se]c(cc3[SiH2]c2c1)c1c(c2c(c(c(c3c(c(c(c4c3nc(c(n4)OC)OC)c3c(c4c(s3)c(c(n4C)c3oc4c5[se]ccc5[SiH2]c4c3)SC)F)SC)C)n2C)SC)o1)C)SC)F	


key: CAN_SMILES
value:
  COc1nc2c(nc1OC)c(c1sc3c(c1F)n(c(c3SC)c1oc3c(c1)[SiH2]c1c3[se]cc1)C)c(c(c2c1c(SC)c2c(n1C)c(c(o2)c1[se]c2c(c1)[SiH2]c1c2oc(c1)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/C74H64F2N8O8S8Se2Si2/c1-25-24-89-57-46(25)81(5)50(63(57)95-15)36-26(2)59(93-13)38(44-42(36)77-71(85-9)73(79-44)87-11)61-41(76)53-68(100-61)66(98-18)49(84(53)8)30-22-34-56(91-30)70-35(104-34)23-31(102-70)54-28(4)47-58(92-54)64(96-16)51(82(47)6)37-27(3)60(94-14)39(45-43(37)78-72(86-10)74(80-45)88-12)62-40(75)52-67(99-62)65(97-17)48(83(52)7)29-21-33-55(90-29)69-32(103-33)19-20-101-69/h19-24H,103-104H2,1-18H3


key: InChI
value:
  InChI=1S/C35H33FN6O3S3/c1-16-15-20(18-11-10-13-39(18)3)44-29(16)30-17(2)26-32(45-30)23(36)27(41(26)5)21-24-25(38-42(6)37-24)22(34(46-8)31(21)43-7)28-35(47-9)33-19(40(28)4)12-14-48-33/h10-15H,1-9H3


key: InChI
value:
  InChI=1S/C34H29FN4O5S2/c1-14-12-20(19-10-9-11-38(19)5)42-27(14)25-17(4)29-26(39(25)6)16(3)28(43-29)22-24-23(36-46-37-24)21(15(2)34(22)45-8)31-32(40-7)33-30(44-31)18(35)13-41-33/h9-13H,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)c1cc2c(c3c(c(c(o3)c3c(c4c(c(c(c5c(c(c(c6c5nc(c(n6)c5cc(c(c(c5)OC)C)OC)c5cc(c(c(c5)F)C)F)c5cc6c(s5)c(c(n6C)c5cc6c(c7c(c(co7)F)s6)s5)F)OC)OC)s4)OC)s3)C)F)s2)s1)F	


key: CAN_SMILES
value:
  COc1cc(cc(c1C)OC)c1nc2c(c3sc4c(c3)n(c(c4F)c3sc4c(c3)sc3c4occ3F)C)c(OC)c(c(c2nc1c1cc(F)c(c(c1)F)C)c1sc2c(c1OC)sc(c2C)c1oc2c(c1F)sc1c2sc(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/C98H68F8N6O12S10/c1-33-32-125-97-82(121-17)94(132-86(33)97)62-73-71(107-69(41-23-50(113-9)36(4)51(24-41)114-10)67(109-73)39-19-43(99)34(2)44(100)20-39)60(77(117-13)79(62)119-15)54-28-49-91(127-54)65(105)76(112(49)8)57-30-59-93(129-57)85-96(131-59)66(106)81(124-85)87-38(6)88-98(133-87)83(122-18)95(134-88)63-74-72(108-70(42-25-52(115-11)37(5)53(26-42)116-12)68(110-74)40-21-45(101)35(3)46(102)22-40)61(78(118-14)80(63)120-16)55-27-48-90(126-55)64(104)75(111(48)7)56-29-58-92(128-56)84-89(130-58)47(103)31-123-84/h19-32H,1-18H3


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(c(n2C)c2c(c3c(c(c(c4c(c(c(c5c4nc(c(n5)c4cc(c(c(c4)OC)C)OC)c4cc(c(c(c4)F)C)F)c4cc5c(s4)c(c(n5C)c4c(c5c(c(cn5C)C)s4)SC)F)OC)OC)s3)OC)s2)C)C)s1)SC)F	


key: CAN_SMILES
value:
  COc1c(OC)c(c2cc3c(s2)c(c(n3C)c2sc3c(c2SC)n(cc3C)C)F)c2c(c1c1sc3c(c1OC)sc(c3C)c1n(C)c3c(c1C)sc(c3SC)c1n(C)c3c(c1F)sc(c3)c1c(OC)c(OC)c(c3c1nc(c1cc(OC)c(c(c1)OC)C)c(n3)c1cc(F)c(c(c1)F)C)c1sc3c(c1OC)scc3C)nc(c(n2)c1cc(OC)c(c(c1)OC)C)c1cc(F)c(c(c1)F)C	


key: InChI
value:
  InChI=1S/C100H84F6N8O10S10/c1-37-35-111(9)78-86(37)130-97(95(78)125-23)76-65(105)91-53(112(76)10)33-59(128-91)62-72-74(110-68(46-27-51(103)40(4)52(104)28-46)70(108-72)48-31-57(117-15)42(6)58(32-48)118-16)64(83(122-20)81(62)120-18)94-85(124-22)100-90(134-94)44(8)89(133-100)75-43(7)88-79(114(75)12)96(126-24)98(132-88)77-66(106)92-54(113(77)11)34-60(129-92)61-71-73(63(82(121-19)80(61)119-17)93-84(123-21)99-87(131-93)38(2)36-127-99)109-67(45-25-49(101)39(3)50(102)26-45)69(107-71)47-29-55(115-13)41(5)56(30-47)116-14/h25-36H,1-24H3


key: InChI
value:
  InChI=1S/C34H27FN4O6S2/c1-12-10-41-31-25-18(43-26(12)31)9-17(38(25)5)23-14(3)28-24(39(23)6)15(4)27(44-28)20-22-21(36-47-37-22)19(13(2)34(20)46-8)30-32(40-7)33-29(45-30)16(35)11-42-33/h9-11H,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(c2C)c(co3)C)C)c1F)F	


key: InChI
value:
  InChI=1S/C54H45F3N4O3S4/c1-22-15-23(2)17-30(16-22)43-42(29-14-13-24(3)32(18-29)62-10)58-44-37(47-40(56)54-46(61(47)9)34(65-11)21-67-54)28(7)52(66-12)38(45(44)59-43)33-19-31-53(68-33)41(57)48(60(31)8)51-39(55)36-27(6)49-35(25(4)20-63-49)26(5)50(36)64-51/h13-21H,1-12H3


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)c1[se]c2c3sc(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)c3[se]c4c5sccc5[SiH2]c4c3)F)OC)OC)s2)OC)s1)C)F	


key: CAN_SMILES
value:
  COc1cc(cc(c1C)OC)c1nc2c(c3sc4c(c3)n(c(c4F)c3[se]c4c(c3)[SiH2]c3c4scc3)C)c(OC)c(c(c2nc1c1cc(F)c(c(c1)F)C)c1sc2c(c1OC)sc(c2C)c1sc2c(c1)[SiH2]c1c2[se]c(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/C98H74F6N6O10S8Se2Si2/c1-35-34-122-95-84(119-17)93(126-86(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(80(115-13)82(66)117-15)55-30-50-90(124-55)69(104)79(110(50)8)59-33-63-98(130-59)92-61(132-63)31-57(125-92)87-40(6)88-96(127-87)85(120-18)94(128-88)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(81(116-14)83(67)118-16)56-29-49-89(123-56)68(103)78(109(49)7)58-32-62-97(129-58)91-60(131-62)19-20-121-91/h19-34H,131-132H2,1-18H3


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)c1[se]c2c3sccc3[SiH2]c2c1)F	


key: InChI
value:
  InChI=1S/C49H38F3N3O5S4SeSi/c1-19-18-62-48-43(60-9)47(64-44(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(41(58-7)42(34)59-8)29-16-26-45(63-29)35(52)40(55(26)4)30-17-32-49(65-30)46-31(66-32)10-11-61-46/h10-18H,66H2,1-9H3


key: CAN_SMILES
value:
  COc1c(OC)c(c2c(c1c1cc3c(s1)c(c(n3C)c1cc3c([se]1)c1c([SiH2]3)ccs1)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/C29H17FO4S5/c1-12-9-18(37-11-12)27-20-19(23(31)21-22(24(20)32)29(35-3)39-28(21)30)26(34-27)17-7-6-16(38-17)25-13(2)10-14(33-25)15-5-4-8-36-15/h4-11H,1-3H3


key: InChI
value:
  InChI=1S/C35H31FN6O4S3/c1-14-13-44-32-25-18(45-28(14)32)12-17(40(25)4)29-15(2)24-31(46-29)21(36)26(41(24)5)19-22-23(38-42(6)37-22)20(34(47-8)30(19)43-7)27-35(48-9)33-16(39(27)3)10-11-49-33/h10-13H,1-9H3


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(c(o2)c2c(c3c(c(c(c4c(c(c(c5c4nc(c(n5)c4cc(c(c(c4)OC)C)OC)c4cc(c(c(c4)F)C)F)c4cc5c(s4)c(c(n5C)c4c(c5c(c(co5)OC)n4C)OC)F)OC)OC)s3)OC)s2)C)OC)n1C)OC)F	


key: CAN_SMILES
value:
  COc1cc(cc(c1C)OC)c1nc2c(nc1c1cc(F)c(c(c1)F)C)c(c1sc3c(c1OC)sc(c3C)c1oc3c(c1OC)n(c(c3OC)c1n(C)c3c(c1F)sc(c3)c1c(OC)c(OC)c(c3c1nc(c1cc(OC)c(c(c1)OC)C)c(n3)c1cc(F)c(c(c1)F)C)c1sc3c(c1OC)scc3C)C)c(c(c2c1cc2c(s1)c(c(n2C)c1n(C)c2c(c1OC)occ2OC)F)OC)OC	


key: InChI
value:
  InChI=1S/C100H84F6N8O16S6/c1-37-36-131-99-90(127-23)97(134-92(37)99)62-72-70(107-68(45-29-53(115-11)40(4)54(30-45)116-12)66(109-72)43-25-47(101)38(2)48(102)26-43)60(80(120-16)82(62)122-18)59-34-52-96(133-59)65(106)76(112(52)8)78-85(125-21)88-79(114(78)10)86(126-22)89(130-88)93-42(6)94-100(135-93)91(128-24)98(136-94)63-73-71(108-69(46-31-55(117-13)41(5)56(32-46)118-14)67(110-73)44-27-49(103)39(3)50(104)28-44)61(81(121-17)83(63)123-19)58-33-51-95(132-58)64(105)75(111(51)7)77-84(124-20)87-74(113(77)9)57(119-15)35-129-87/h25-36H,1-24H3


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: 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: InChI
value:
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key: CAN_SMILES
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: InChI
value:
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key: CAN_SMILES
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: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: InChI
value:
  InChI=1S/C37H30F2N4O5S5/c1-13-11-46-28-23(13)42(3)25(33(28)50-8)18-14(2)30(49-7)19(22-21(18)40-36(44-5)37(41-22)45-6)32-20(39)26-35(53-32)34(51-9)24(43(26)4)17-10-16-31(52-17)29-27(48-16)15(38)12-47-29/h10-12H,1-9H3


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C36H34FN5O3S6/c1-15-21(27-35(48-9)28-26(41(27)4)20(47-8)14-40(28)3)24-25(39-42(5)38-24)22(23(15)37)34-36(49-10)31-32(51-34)16(2)29(45-31)18-13-17(43-6)30(44-18)33-19(46-7)11-12-50-33/h11-14H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C76H54F6N6O10S8/c1-23-22-91-61-38(23)63(89-9)65-42(44(61)77)46(79)67(97-65)73-71(103-15)59-35(105-73)20-32(93-59)41-34(100-12)18-30(49-51(41)84-28(6)76(82)86-49)56-26(4)53-69(95-56)70(102-14)54(88(53)8)57-24(2)39-62(96-57)45(78)43-47(80)68(98-66(43)64(39)90-10)74-72(104-16)60-36(106-74)19-31(92-60)40-33(99-11)17-29(48-50(40)83-27(5)75(81)85-48)55-25(3)52-58(94-55)37(101-13)21-87(52)7/h17-22H,1-16H3


key: SMILES
value:
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key: InChI
value:
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key: CAN_SMILES
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: InChI
value:
  InChI=1S/C52H40F5N5O2S4/c1-21-13-22(2)15-26(14-21)42-41(25-12-11-23(3)30(16-25)63-8)58-43-34(47-39(56)52-46(62(47)7)33(65-9)20-67-52)24(4)50(66-10)36(44(43)59-42)32-18-29-51(68-32)40(57)48(61(29)6)49-38(55)35-31(64-49)17-27-28(53)19-60(5)45(27)37(35)54/h11-20H,1-10H3


key: CAN_SMILES
value:
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key: SMILES
value:
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key: InChI
value:
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key: CAN_SMILES
value:
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key: SMILES
value:
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key: InChI
value:
  InChI=1S/C46H28F6N4O3S5Se/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(42-31(52)45-40(63-42)20(48)15-62-45)43(61-6)39(58-4)26(34(35)54-32)36-29(50)44-37(56(36)2)30(51)41(64-44)24-14-22-38(59-24)46-21(53-22)7-8-65-46/h7-15,53H,1-6H3


key: CAN_SMILES
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/C62H52F4N4O5S4/c1-29-22-33(15-17-37(29)63)50-51(35-27-40(66)56(74-9)43(28-35)72-7)68-53-48(60(76-11)57(75-10)47(52(53)67-50)41-14-13-20-69(41)4)44-24-31(3)58(78-44)62-61(77-12)49-46(34-25-38(64)55(73-8)39(65)26-34)54-36(19-21-70(54)5)45(59(49)79-62)32-16-18-42(71-6)30(2)23-32/h13-28H,1-12H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C68H48F6N4O8S10/c1-79-35-15-13-25(21-37(35)87-5)44-46(27-17-29(69)60(90-8)30(70)18-27)75-34-23-39(89-7)52(81-3)40(48(34)76-44)63-68(94-12)59-66(96-63)57-55(86-59)43(74)53(85-57)41-49-50(42(54(82-4)62(41)92-10)64-67(93-11)58-65(95-64)56-51(84-58)33(73)24-83-56)77-45(26-14-16-36(80-2)38(22-26)88-6)47(78-49)28-19-31(71)61(91-9)32(72)20-28/h13-24H,1-12H3


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C48H33F6N3O4S7/c1-18-11-19(13-21(49)12-18)34-35(20-14-23(58-3)30(51)27(15-20)63-7)56-37-29(45-33(54)48-42(67-45)22(50)17-66-48)46(64-8)41(60-5)28(36(37)55-34)38-31(52)47-39(57(38)2)32(53)43(68-47)25-16-24(59-4)40(61-25)44-26(62-6)9-10-65-44/h9-17H,1-8H3


key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
  c1(c(c(cc2nonc12)SC)SC)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)cc(s3)c1c(c(c(c2c1non2)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)ccs3)c1cc(c(o1)F)OC)SC)SC)c1cc(c(o1)F)OC	


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: InChI
value:
  InChI=1S/C37H33FN4O4S4SeSi/c1-14-13-45-29-24(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)16-12-18-28(46-16)35-17(52-18)10-11-51-35/h10-13H,52H2,1-9H3


key: CAN_SMILES
value:
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key: SMILES
value:
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key: InChI
value:
  InChI=1S/C39H38FN5O3S6/c1-17-16-48-32-28(17)44(4)30(35(32)51-10)23-18(2)33(50-9)24(27-26(23)41-38(46-6)39(42-27)47-7)34-25(40)31-37(54-34)36(52-11)29(45(31)5)22-13-12-21(53-22)20-14-19(49-8)15-43(20)3/h12-16H,1-11H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C62H50F6N6O10S6/c1-23-61(79-9)71-43-34(50-53(85-11)26(63)22-81-50)38(64)48(77-7)36(45(43)69-23)56-60(88-14)42(68)55(90-56)32-18-16-30(83-32)28-20-33(76-6)47(74(28)4)52-40(66)58(86-12)51(84-52)35-39(65)49(78-8)37(46-44(35)72-62(80-10)24(2)70-46)57-59(87-13)41(67)54(89-57)31-17-15-29(82-31)27-19-25(75-5)21-73(27)3/h15-22H,1-14H3


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C53H47F3N4O7S7/c1-22-16-23(19-31(69-11)42(22)62-5)34-35(24-17-25(54)43(63-6)26(55)18-24)58-37-33(45(64-7)49(70-12)32(36(37)57-34)40-46(65-8)51-38(59(40)2)27(56)21-73-51)50-47(66-9)41-53(74-50)52(71-13)39(60(41)3)28-20-29(61-4)44(67-28)48-30(68-10)14-15-72-48/h14-21H,1-13H3


key: CAN_SMILES
value:
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key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)c1c(c(c(n1C)c1ccc(c2cc(c(o2)c2c(c(c(c3cc(c(c4c3nsn4)c3c(c(c(n3C)c3ccc(c4cc(co4)SC)s3)C)SC)C)o2)F)SC)SC)s1)C)SC	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C56H46F2N6O4S10/c1-23-17-28(50-40(57)37(71-9)22-66-50)42-44(61-77-59-42)38(23)48-55(73-11)26(4)47(64(48)6)35-16-14-33(76-35)31-20-36(70-8)52(67-31)53-56(74-12)41(58)51(68-53)29-18-24(2)39(45-43(29)60-78-62-45)49-54(72-10)25(3)46(63(49)5)34-15-13-32(75-34)30-19-27(69-7)21-65-30/h13-22H,1-12H3


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C40H41FN6O4S4/c1-18-17-51-33-29(18)46(5)31(36(33)53-11)24-19(2)34(52-10)25(28-27(24)42-39(49-8)40(43-28)50-9)35-26(41)32-38(55-35)37(54-12)30(47(32)6)22-14-13-21(45(22)4)23-15-20(48-7)16-44(23)3/h13-17H,1-12H3


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C52H45F3N4O6S6/c1-22-16-24(20-31(66-10)42(22)60-5)34-35(25-18-26(53)43(61-6)27(54)19-25)57-37-33(44(62-7)48(67-11)32(36(37)56-34)39-45(63-8)50-38(58(39)3)28(55)21-69-50)49-46(64-9)40-52(71-49)51(68-12)41(59(40)4)47-23(2)17-30(70-47)29-14-13-15-65-29/h13-21H,1-12H3


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(cc1C)c1ccco1)C)OC)SC)c1c(OC)c2c(n1C)c(cs2)F	


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C37H31FN4O5S4/c1-14-22(26-15(2)30-28(42(26)5)19(43-6)13-46-30)25-24(39-11-21(40-25)48-8)23(29(14)44-7)20-10-18-34(50-20)16(3)27(41(18)4)35-37(49-9)33-36(51-35)32-31(47-33)17(38)12-45-32/h10-13H,1-9H3


key: InChI
value:
  InChI=1S/C27H15F2NO4S3Se/c1-10-8-30(2)18-23(10)37-26(25(18)35-3)24-12(28)7-13(36-24)21-17-16(22(34-21)14-5-4-6-38-14)19(31)11-9-33-27(29)15(11)20(17)32/h4-9H,1-3H3


key: InChI
value:
  InChI=1S/C34H28F2N4O3S4/c1-13-21(26-14(2)30-28(40(26)5)18(41-6)11-43-30)25-24(37-10-20(38-25)44-8)22(29(13)42-7)19-9-17-31(46-19)15(3)27(39(17)4)33-23(36)34-32(47-33)16(35)12-45-34/h9-12H,1-8H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1ccc(c(c1)SC)OC)SC)OC)c1c(c2c(c(c(s2)c2c(c(c(c3c2nc(c(n3)c2ccc(c(c2)SC)OC)c2cc(c(c(c2)F)SC)F)c2c(c3c(c(cs3)C)n2C)OC)OC)SC)C)n1C)OC	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C68H60F4N6O6S8/c1-29-28-91-67-55(29)77(3)58(61(67)83-9)46-53-54(76-51(34-23-37(71)65(89-15)38(72)24-34)49(75-53)32-18-20-41(80-6)43(26-32)86-12)47(66(90-16)60(46)82-8)63-30(2)56-68(92-63)62(84-10)57(78(56)4)45-52-39(27-44(87-13)59(45)81-7)73-50(33-21-35(69)64(88-14)36(70)22-33)48(74-52)31-17-19-40(79-5)42(25-31)85-11/h17-28H,1-16H3


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)c1[se]c2c3oc(cc3[SiH2]c2c1)c1c(cc(c2ccc(c3c2nc(c(n3)c2cc(c(c(c2)C)OC)OC)c2cc(c(c(c2)F)SC)F)c2c(c(c(n2C)c2[se]c3c4occc4[SiH2]c3c2)C)C)n1C)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)c1cc2c([se]1)c1c([SiH2]2)cc(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)c1[se]c2c(c1)[SiH2]c1c2occ1)C)C)C	


key: InChI
value:
  InChI=1S/C90H78F4N8O6S4Se2Si2/c1-39-25-45(31-61(103-11)83(39)105-13)70-72(47-27-54(91)87(111-17)55(92)28-47)95-74-50(58-33-49(109-15)38-99(58)7)19-21-52(76(74)97-70)78-42(4)44(6)81(102(78)10)65-37-69-90(114-65)86-67(116-69)35-60(108-86)82-63(110-16)34-59(100(82)8)51-20-22-53(79-41(3)43(5)80(101(79)9)64-36-68-89(113-64)85-66(115-68)23-24-107-85)77-75(51)96-73(48-29-56(93)88(112-18)57(94)30-48)71(98-77)46-26-40(2)84(106-14)62(32-46)104-12/h19-38H,115-116H2,1-18H3


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(c(o2)c2c(c3c(c(c(c4c(c(c(c5c4nc(c(n5)c4cc(c(c(c4)OC)C)OC)c4cc(c(c(c4)F)C)F)c4cc5c(s4)c(c(n5C)c4ccc(c5cc(co5)SC)s4)F)OC)OC)s3)OC)s2)C)SC)s1)F	


key: CAN_SMILES
value:
  CSc1coc(c1)c1ccc(s1)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)sc(c2C)c1oc(cc1SC)c1ccc(s1)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: InChI
value:
  InChI=1S/C100H78F6N6O12S10/c1-39-38-127-99-90(121-17)97(132-92(39)99)71-81-79(107-77(47-29-56(113-9)42(4)57(30-47)114-10)75(109-81)45-25-50(101)40(2)51(102)26-45)69(86(117-13)88(71)119-15)66-35-55-96(131-66)74(106)84(112(55)8)65-24-22-63(129-65)61-36-68(126-20)85(124-61)93-44(6)94-100(133-93)91(122-18)98(134-94)72-82-80(108-78(48-31-58(115-11)43(5)59(32-48)116-12)76(110-82)46-27-52(103)41(3)53(104)28-46)70(87(118-14)89(72)120-16)67-34-54-95(130-67)73(105)83(111(54)7)64-23-21-62(128-64)60-33-49(125-19)37-123-60/h21-38H,1-20H3


key: InChI
value:
  InChI=1S/C29H18F5N3O2S5/c1-9-29(34)36-18-14(27(40-4)28(41-5)15(19(18)35-9)26-22(38-3)11(31)8-42-26)21-17(33)16(32)20(37(21)2)12-6-13-25(43-12)23-24(44-13)10(30)7-39-23/h6-8H,1-5H3


key: InChI
value:
  InChI=1S/C29H21F4GeN3OS4Se/c1-10-29(33)36-19-15(26(39-4)27(40-5)16(20(19)35-10)25-23(38-3)11(30)9-41-25)22-18(32)17(31)21(37(22)2)14-8-13-24(42-14)28-12(34-13)6-7-43-28/h6-9H,34H2,1-5H3


key: InChI
value:
  InChI=1S/C31H27F2N3O2S3SeSi/c1-12-19(22-23(35-31(33)14(3)34-22)20(28(12)40-7)29-21(32)16(39-6)11-41-29)24-13(2)26(37-5)25(36(24)4)15-10-18-27(38-15)30-17(43-18)8-9-42-30/h8-11H,43H2,1-7H3


key: InChI
value:
  InChI=1S/C31H30FN3O6S/c1-13-12-40-27(30(13)42-9)19-22-21(34-31(38-8)16(4)33-22)18(14(2)24(19)36-6)25-15(3)20(32)28(41-25)23-29(37-7)26-17(35(23)5)10-11-39-26/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C33H31F2N3O2S5/c1-14-12-18(40-28(14)31-19(41-7)10-11-44-31)27-29(39-6)16(3)26(38(27)5)21-15(2)30(43-9)22(32-23(34)20(42-8)13-45-32)25-24(21)36-17(4)33(35)37-25/h10-13H,1-9H3


key: InChI
value:
  InChI=1S/C29H18F5N3O3S4/c1-9-29(34)36-18-14(27(41-4)28(42-5)15(19(18)35-9)26-23(38-3)11(31)8-43-26)21-17(33)16(32)20(37(21)2)13-6-12-25(44-13)24-22(40-12)10(30)7-39-24/h6-8H,1-5H3


key: InChI
value:
  InChI=1S/C32H26F2N2O6S3/c1-11-9-39-24(28(11)43-7)17-20-19(36-32(38-6)14(4)35-20)16(12(2)21(17)37-5)22-13(3)18(34)25(41-22)31-30(44-8)27-29(45-31)26-23(42-27)15(33)10-40-26/h9-10H,1-8H3


key: InChI
value:
  InChI=1S/C33H32F2N4O3S3/c1-15-23(26-27(37-33(35)17(3)36-26)24(31(15)44-9)32-25(34)22(43-8)14-45-32)28-16(2)30(41-7)29(39(28)5)21-11-10-20(42-21)19-12-18(40-6)13-38(19)4/h10-14H,1-9H3


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)c2cc(c(c3ccc(s3)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)c6cc(c(c7cccs7)s6)SC)F)n5C)F)OC)SC)s4)F)s3)F)s2)SC)F)n1C)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C94H60F12N6O4S16/c1-33-20-35(24-39(95)22-33)66-68(37-26-42(113-5)57(98)47(28-37)117-9)109-72-55(86-64(105)92-80(128-86)41(97)32-124-92)88(121-13)78(115-7)53(70(72)107-66)74-60(101)91-77(112(74)4)62(103)85(130-91)52-31-50(120-12)82(127-52)45-17-18-46(125-45)83-63(104)93-94(131-83)65(106)87(132-93)56-73-71(108-67(36-21-34(2)23-40(96)25-36)69(110-73)38-27-43(114-6)58(99)48(29-38)118-10)54(79(116-8)89(56)122-14)75-59(100)90-76(111(75)3)61(102)84(129-90)51-30-49(119-11)81(126-51)44-16-15-19-123-44/h15-32H,1-14H3


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(cc(c2ccc(s2)c2c(c3c(c(c(c4c(c(c(c5c4nc(cn5)SC)c4cc5c(s4)c(c(n5C)c4c(cc(c5cccs5)o4)C)C)OC)C)n3C)C)o2)OC)o1)C)C	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1cc2c(s1)c(c(n2C)c1oc(cc1C)c1cccs1)C)OC)C)c1n(C)c2c(c1C)oc(c2OC)c1ccc(s1)c1cc(c(o1)c1n(C)c2c(c1C)sc(c2)c1c(OC)c(C)c(c2c1ncc(n2)SC)c1n(C)c2c(c1C)occ2OC)C	


key: InChI
value:
  InChI=1S/C74H66N8O8S6/c1-31-24-41(44-20-19-23-93-44)88-65(31)61-37(7)73-39(79(61)9)26-48(95-73)54-56-58(78-50(92-18)29-76-56)52(34(4)68(54)85-15)60-36(6)70-64(82(60)12)72(86-16)71(90-70)46-22-21-45(94-46)42-25-32(2)66(89-42)62-38(8)74-40(80(62)10)27-47(96-74)53-55-57(77-49(91-17)28-75-55)51(33(3)67(53)84-14)59-35(5)69-63(81(59)11)43(83-13)30-87-69/h19-30H,1-18H3


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)c2oc3c4[se]c(cc4[nH]c3c2)c2c(c3c(c(c(c4c(c(c(c5c4nc(c(n5)c4cc(cc(c4)C)F)c4cc(c(c(c4)OC)F)SC)c4c(c5c(c(c(s5)c5oc6c7[se]ccc7[nH]c6c5)F)n4C)F)OC)SC)s3)F)s2)F)F)n1C)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C92H54F12N8O6S10Se2/c1-29-15-31(19-35(93)17-29)62-64(33-21-42(113-5)53(96)46(23-33)119-9)109-68-51(82-60(103)88-78(124-82)37(95)28-123-88)84(121-11)76(115-7)49(66(68)107-62)70-56(99)87-73(112(70)4)58(101)80(126-87)45-26-40-75(118-45)92-41(106-40)27-48(130-92)81-59(102)89-90(127-81)61(104)83(128-89)52-69-67(108-63(32-16-30(2)18-36(94)20-32)65(110-69)34-22-43(114-6)54(97)47(24-34)120-10)50(77(116-8)85(52)122-12)71-55(98)86-72(111(71)3)57(100)79(125-86)44-25-39-74(117-44)91-38(105-39)13-14-129-91/h13-28,105-106H,1-12H3


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)c1oc2c(c(c3c(c2OC)c(c(o3)c2c(c3c(c(c(c4c(c(c(c5c4nc(c(n5)c4cc(c(c(c4)OC)C)OC)c4cc(c(c(c4)F)C)F)c4cc5c(s4)c(c(n5C)c4oc5c(c(c6c(c5OC)c(co6)C)F)c4F)F)OC)OC)s3)OC)s2)C)C)F)c1F)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C106H78F10N6O16S6/c1-35-33-135-84-59(35)86(127-15)92-63(67(84)111)69(113)94(137-92)81-71(115)101-51(121(81)9)31-58(141-101)62-78-80(120-74(44-25-49(109)38(4)50(110)26-44)76(118-78)46-29-55(125-13)40(6)56(30-46)126-14)66(91(132-20)89(62)130-18)104-97(134-22)106-100(144-104)42(8)99(143-106)83-41(7)60-85(136-83)68(112)64-70(114)95(138-93(64)87(60)128-16)82-72(116)102-52(122(82)10)32-57(140-102)61-77-79(65(90(131-19)88(61)129-17)103-96(133-21)105-98(142-103)36(2)34-139-105)119-73(43-23-47(107)37(3)48(108)24-43)75(117-77)45-27-53(123-11)39(5)54(28-45)124-12/h23-34H,1-22H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C68H64F2N12O6S8/c1-25-33(45-65(91-17)47-44(79(45)9)32(89-15)24-75(47)5)39-41(73-81(11)71-39)35(37(25)69)62-68(94-20)59-61(96-62)28(4)53(88-59)51-57(84-14)55-30(77(51)7)23-31(86-55)43-64(90-16)48-49(78(43)8)66(92-18)46(80(48)10)34-26(2)38(70)36(42-40(34)72-82(12)74-42)63-67(93-19)58-60(95-63)27(3)52(87-58)50-56(83-13)54-29(76(50)6)21-22-85-54/h21-24H,1-20H3


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:
  InChI=1S/C38H28F3N3O5S4/c1-13-12-46-32-21(13)33(45-5)34-23(24(32)39)25(40)35(49-34)37-36(52-8)31-19(53-37)10-17(47-31)22-18(50-6)9-16(26-27(22)42-15(3)38(41)43-26)29-14(2)28-30(48-29)20(51-7)11-44(28)4/h9-12H,1-8H3


key: SMILES
value:
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key: InChI
value:
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key: CAN_SMILES
value:
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key: SMILES
value:
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key: InChI
value:
  InChI=1S/C52H45F3N4O7S6/c1-22-17-23(20-31(67-10)42(22)61-5)34-35(24-18-25(53)43(62-6)26(54)19-24)57-37-33(45(63-7)48(68-11)32(36(37)56-34)40-46(64-8)50-38(58(40)2)27(55)21-70-50)49-47(65-9)41-52(72-49)51(69-12)39(59(41)3)29-13-14-30(71-29)44-28(60-4)15-16-66-44/h13-21H,1-12H3


key: CAN_SMILES
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/C76H54F6N6O8S10/c1-23-21-91-55-27(5)38-44(78)61(93-57(38)24(2)36(23)55)30-17-32-53(87(30)7)73(101-15)71(104-32)41-47(81)69(100-14)43(52-50(41)84-20-35(86-52)98-12)64-67(90-10)76-65(96-64)48(82)72(106-76)59-26(4)37-25(3)58-39(28(6)56(37)92-59)45(79)62(94-58)31-18-33-54(88(31)8)74(102-16)70(105-33)40-46(80)68(99-13)42(51-49(40)83-19-34(85-51)97-11)63-66(89-9)75-60(95-63)29(77)22-103-75/h17-22H,1-16H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C62H48F4N6O6S2/c1-29-41(79-9)27-39-49(68-45(31-17-13-11-14-18-31)47(67-39)33-21-23-35(63)37(65)25-33)42(29)53-58(75-7)61-55(72(53)4)59(76-8)56(78-61)44-51-50(69-46(32-19-15-12-16-20-32)48(70-51)34-22-24-36(64)38(66)26-34)43(30(2)62(44)80-10)54-57(74-6)60-52(71(54)3)40(73-5)28-77-60/h11-28H,1-10H3


key: InChI
value:
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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)c1[se]c2c3sccc3[SiH2]c2c1)SC)OC	


key: InChI
value:
  InChI=1S/C51H43F3N4O5S6SeSi/c1-20-14-21(17-26(64-9)40(20)59-4)32-33(22-15-23(52)41(60-5)24(53)16-22)56-35-31(42(61-6)46(65-10)30(34(35)55-32)38-43(62-7)48-36(57(38)2)25(54)19-68-48)47-44(63-8)39-50(69-47)49(66-11)37(58(39)3)27-18-29-51(70-27)45-28(71-29)12-13-67-45/h12-19H,71H2,1-11H3


key: CAN_SMILES
value:
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key: SMILES
value:
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key: InChI
value:
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key: CAN_SMILES
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/C86H48F6O8S12Se4/c1-29-15-34-36(20-43(29)97-5)70(95)65-63(68(34)93)81(115-83(65)54-19-33(87)28-113-54)51-24-40(88)75(108-51)50-23-39-59(48-18-32(4)86(100-8)111-48)77-67(61(73(39)107-50)46-12-14-57(92)105-46)78(102-10)79(112-77)80-42(90)26-55(114-80)84-66-64(69(94)35-16-30(2)44(98-6)21-37(35)71(66)96)82(116-84)52-25-41(89)74(109-52)49-22-38-58(47-17-31(3)85(99-7)110-47)76-62(53(101-9)27-103-76)60(72(38)106-49)45-11-13-56(91)104-45/h11-28H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C92H82F4N8O6S6/c1-43-30-51(38-69(105-13)87(43)107-15)74-76(53-34-60(93)91(113-19)61(94)35-53)97-78-56(64-40-55(111-17)42-101(64)9)23-25-58(80(78)99-74)82-48(6)50(8)85(104(82)12)90-46(4)33-72(116-90)67-27-28-68(110-67)86-73(112-18)41-65(102(86)10)57-24-26-59(83-47(5)49(7)84(103(83)11)89-45(3)32-71(115-89)66-22-21-29-109-66)81-79(57)98-77(54-36-62(95)92(114-20)63(96)37-54)75(100-81)52-31-44(2)88(108-16)70(39-52)106-14/h21-42H,1-20H3


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C46H32F3N3O3S10/c1-17-11-23(65-46(17)54-4)28-18-12-22(63-40(18)29(21-9-10-26(48)62-21)30-25(56-5)16-61-41(28)30)20-13-24-36(52(20)2)44(59-8)43(64-24)31-33(49)42(58-7)32(35-34(31)50-14-27(51-35)57-6)38-39(53-3)45-37(55-38)19(47)15-60-45/h9-16H,1-8H3


key: CAN_SMILES
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/C92H82F2N6O10S10/c1-43-31-47(32-44(2)71(43)93)73-75(49-35-51(101-7)39-53(37-49)111-13)95-77-67(88(114-16)90(116-18)69(79(77)97-73)82-87(113-15)62(105-11)42-99(82)5)57-24-22-56(109-57)64-26-28-66(120-64)85-61(104-10)41-60(110-85)81-86(106-12)92(118-20)83(100(81)6)70-80-78(96-76(50-36-52(102-8)40-54(38-50)112-14)74(98-80)48-33-45(3)72(94)46(4)34-48)68(89(115-17)91(70)117-19)58-23-21-55(108-58)63-25-27-65(119-63)84-59(103-9)29-30-107-84/h21-42H,1-20H3


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/C34H28F2N2O3S4/c1-17-12-26(24-8-7-11-41-24)45-33(17)28-31-22(16-27(43-5)32(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)25(15-18)42-4/h7-16H,1-6H3


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/C104H88F6N8O14S12/c1-41-31-43(37-59(133-19)82(41)121-9)66-68(45-33-47(105)84(123-11)48(106)34-45)113-72-63(88(125-13)95(135-21)61(70(72)111-66)77-90(127-15)99-74(115(77)3)51(109)40-139-99)97-93(130-18)81-104(144-97)102(138-24)76(117(81)5)56-26-28-58(141-56)87-53(120-8)39-54(132-87)94-65(110)79-100(142-94)91(128-16)78(118(79)6)62-71-73(114-69(46-35-49(107)85(124-12)50(108)36-46)67(112-71)44-32-42(2)83(122-10)60(38-44)134-20)64(89(126-14)96(62)136-22)98-92(129-17)80-103(143-98)101(137-23)75(116(80)4)55-25-27-57(140-55)86-52(119-7)29-30-131-86/h25-40H,1-24H3


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C53H46F3N5O7S6/c1-21-14-22(17-29(69-10)42(21)62-5)33-34(23-15-24(54)43(63-6)25(55)16-23)58-36-32(45(64-7)49(71-12)31(35(36)57-33)40-47(65-8)51-37(60(40)3)26(56)20-73-51)50-48(66-9)41-53(74-50)52(72-13)38(61(41)4)27-18-28-39(59(27)2)46-44(68-28)30(70-11)19-67-46/h14-20H,1-13H3


key: CAN_SMILES
value:
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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)c1cc(c(c2c(cc(s2)c2c(c3c(c(c(c4c(c(c(c5c4nc(c(n5)c4cc(cc(c4)C)C)c4ccc(c(c4)OC)C)c4cc5c(s4)c(c(n5C)c4cc(c(c5c(ccs5)SC)o4)OC)F)SC)C)n3C)F)s2)SC)SC)o1)OC)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C102H86F4N8O6S12/c1-43-29-44(2)32-53(31-43)79-77(51-25-23-47(5)57(35-51)115-13)107-81-69(88-75(105)100-87(113(88)11)68(123-19)42-128-100)49(7)93(124-20)71(83(81)109-79)64-38-56-96(130-64)74(104)86(112(56)10)60-40-62(118-16)92(120-60)98-66(122-18)41-67(131-98)99-102(126-22)90-101(132-99)76(106)89(114(90)12)70-50(8)94(125-21)72(84-82(70)108-78(52-26-24-48(6)58(36-52)116-14)80(110-84)54-33-45(3)30-46(4)34-54)65-37-55-95(129-65)73(103)85(111(55)9)59-39-61(117-15)91(119-59)97-63(121-17)27-28-127-97/h23-42H,1-22H3


key: InChI
value:
  InChI=1S/C28H24FN3O2S5/c1-13-9-16(27-22(29)20(36-5)12-34-27)23-24(31-39-30-23)21(13)26-28(37-6)14(2)25(32(26)3)19-8-7-18(38-19)17-10-15(35-4)11-33-17/h7-12H,1-6H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C96H60F6O10S8Se4/c1-37-13-41(19-48(15-37)107-5)73-56-30-67(118-88(56)75(71-39(3)35-117-90(71)73)43-17-45(97)23-50(21-43)113-9)85-59(101)33-64(112-85)94-78-80(82(104)53-27-62(110-8)66(116-12)29-55(53)84(78)106)96(124-94)70-34-60(102)92(122-70)87-40(4)72-76(44-18-46(98)24-51(22-44)114-10)89-57(74(91(72)120-87)42-14-38(2)16-49(20-42)108-6)31-68(119-89)86-58(100)32-63(111-86)93-77-79(95(123-93)69-25-47(99)36-121-69)81(103)52-26-61(109-7)65(115-11)28-54(52)83(77)105/h13-36H,1-12H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C52H48F3N5O6S6/c1-21-15-23(18-28(67-12)41(21)61-6)31-32(24-16-25(53)42(62-7)26(54)17-24)57-34-30(43(63-8)47(68-13)29(33(34)56-31)37-44(64-9)50-36(59(37)4)27(55)20-71-50)48-46(66-11)40-52(72-48)51(69-14)39(60(40)5)38-45(65-10)49-35(58(38)3)22(2)19-70-49/h15-20H,1-14H3


key: InChI
value:
  InChI=1S/C26H10F2GeO4S2Se2/c27-10-6-13(34-23(10)14-7-12-24(35-14)25-11(29-12)3-5-37-25)21-18-17(22(33-21)15-2-1-4-36-15)19(30)9-8-32-26(28)16(9)20(18)31/h1-8H,29H2


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:
  InChI=1S/C88H68F8N6O6S12/c1-37-31-47(106-77(37)84-49(111-9)29-30-119-84)73-82(103-5)63(95)76(101(73)3)56-61(93)87(117-15)58(72-70(56)100-68(42-22-28-46(90)51(34-42)113-11)66(98-72)40-19-25-44(110-8)26-20-40)81-64(96)88(118-16)79(108-81)52-35-53(114-12)85(120-52)78-38(2)32-48(107-78)74-83(104-6)62(94)75(102(74)4)55-60(92)86(116-14)57(80-59(91)54(115-13)36-105-80)71-69(55)99-67(41-21-27-45(89)50(33-41)112-10)65(97-71)39-17-23-43(109-7)24-18-39/h17-36H,1-16H3


key: InChI
value:
  InChI=1S/C35H28FN3O2S7/c1-15-28-30(24(44-6)14-39(28)3)41-29(15)17-11-20(42-4)25(27-26(17)38-35(36)16(2)37-27)18-12-21-31(40-18)34(45-7)33(47-21)23-13-22(43-5)32(48-23)19-9-8-10-46-19/h8-14H,1-7H3


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C43H33F5N4O5S5/c1-16-43(55-6)50-31-27(35-37(59-8)19(44)15-56-35)29(45)34(54-5)28(32(31)49-16)39-40(60-9)30(46)38(62-39)21-12-18-26(22-14-23(53-4)42(48)57-22)36-17(10-11-61-36)25(33(18)51(21)2)20-13-24(58-7)41(47)52(20)3/h10-15H,1-9H3


key: CAN_SMILES
value:
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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(c2ccc(o2)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)c4c(cc(c5ccco5)s4)C)SC)OC)OC)SC)n3C)OC)s2)F)s1)C)SC)OC	


key: CAN_SMILES
value:
  CSc1cc(cc(c1OC)C)c1nc2c(nc1c1cc(F)c(c(c1)F)OC)c(c1sc3c(c1OC)n(c(c3SC)c1sc(cc1C)c1ccco1)C)c(c(c2c1c(OC)c2c(n1C)c(c(s2)c1ccc(o1)c1sc(c(c1)C)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/C104H88F6N8O12S12/c1-41-30-45(38-59(131-19)82(41)119-9)66-68(47-34-49(105)84(121-11)50(106)35-47)113-72-63(86(123-13)95(133-21)61(70(72)111-66)75-88(125-15)99-74(115(75)5)53(109)40-137-99)97-91(128-18)79-104(142-97)102(136-24)81(118(79)8)93-44(4)33-58(139-93)55-27-28-56(130-55)94-65(110)77-100(140-94)89(126-16)76(116(77)6)62-71-73(114-69(48-36-51(107)85(122-12)52(108)37-48)67(112-71)46-31-42(2)83(120-10)60(39-46)132-20)64(87(124-14)96(62)134-22)98-90(127-17)78-103(141-98)101(135-23)80(117(78)7)92-43(3)32-57(138-92)54-26-25-29-129-54/h25-40H,1-24H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C90H66F8N8O6S8/c1-103-53(72-50(93)21-22-52-79(72)101-74(39-17-15-19-43(91)25-39)76(99-52)41-27-62(113-9)83(109-7)63(28-41)114-10)33-48-71(58-38-60(108-6)90(98)112-58)86-49(69(82(48)103)56-36-67(118-14)88(96)106(56)4)34-61(120-86)46-31-51(94)73(80-78(46)100-77(75(102-80)40-18-16-20-44(92)26-40)42-29-64(115-11)84(110-8)65(30-42)116-12)54-32-47-70(57-37-59(107-5)89(97)111-57)85-45(23-24-119-85)68(81(47)104(54)2)55-35-66(117-13)87(95)105(55)3/h15-38H,1-14H3


key: InChI
value:
  InChI=1S/C30H23F3N2O4S4/c1-12-10-16(15-8-7-9-38-15)42-25(12)29-20(33)28(41-6)27(43-29)18-22-21(35-30(37-4)13(2)34-22)17(19(32)23(18)36-3)24-26(40-5)14(31)11-39-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H26F3N3O5S3/c1-13-31(40-5)36-23-19(26-27(43-6)15(32)12-41-26)21(33)25(39-4)20(24(23)35-13)29-30(44-7)22(34)28(45-29)18-9-8-17(42-18)16-10-14(38-3)11-37(16)2/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C30H22F3N3O4S4/c1-6-37-22-11(2)20(36(3)21(22)29-27(41)26-30(44-29)25-23(40-26)12(31)9-38-25)14-16(32)17(33)15(19-18(14)34-7-8-35-19)24-28(43-5)13(42-4)10-39-24/h7-10,41H,6H2,1-5H3


key: InChI
value:
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key: InChI
value:
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key: InChI
value:
  InChI=1S/C30H26F3N3O4S4/c1-11-10-43-29-20(11)36(3)21(24(29)38-5)27-17(33)28(42-8)26(44-27)15-19-18(35-30(39-6)12(2)34-19)14(16(32)22(15)37-4)23-25(41-7)13(31)9-40-23/h9-10H,1-8H3


key: InChI
value:
  InChI=1S/C35H29F3N2O7S/c1-12-10-44-28-17(12)29(42-7)30-19(22(28)37)23(38)33(47-30)32-21(36)15(4)27(46-32)18-14(3)26(41-6)20(31-34(48-9)13(2)11-45-31)25-24(18)40-35(43-8)16(5)39-25/h10-11H,1-9H3


key: InChI
value:
  InChI=1S/C32H31F2N5O3S2/c1-16-28(39(4)29(30(16)41-6)19-10-9-18(38(19)3)20-13-17(40-5)14-37(20)2)22-24(33)25(34)23(27-26(22)35-11-12-36-27)31-32(44-8)21(43-7)15-42-31/h9-15H,1-8H3


key: InChI
value:
  InChI=1S/C34H34F2N4OS5/c1-15-13-20(28-19(42-8)11-12-39(28)5)46-31(15)29-30(41-7)17(3)27(40(29)6)22-16(2)32(44-10)23(33-24(35)21(43-9)14-45-33)26-25(22)37-18(4)34(36)38-26/h11-14H,1-10H3


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(c2c2ccc(s2)F)c(cs3)SC)c2cc(c(s2)OC)C)c1)F)F	


key: InChI
value:
  InChI=1S/C42H30F5N3O2S8/c1-15-11-20(60-42(15)52-5)24-17-12-21(59-36(17)25(19-9-10-23(44)58-19)26-22(53-6)14-57-37(24)26)33-29(45)30(46)34(50(33)3)27-31-32(48-16(2)41(47)49-31)28(40(55-8)39(27)54-7)38-35(51-4)18(43)13-56-38/h9-14H,1-8H3


key: CAN_SMILES
value:
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key: SMILES
value:
  c1(c(c(c(c2c1nccn2)c1c(c(co1)SC)SC)F)F)c1c(c(c(n1C)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)OC)C	


key: InChI
value:
  InChI=1S/C44H37F3N4O2S7/c1-18-27-29(23-15-21(45)20(3)59-23)44-30(25(55-8)17-58-44)28(22-11-12-26(56-9)60-22)39(27)51(5)38(18)40-41(52-6)19(2)37(50(40)4)31-33(46)34(47)32(36-35(31)48-13-14-49-36)42-43(57-10)24(54-7)16-53-42/h11-17H,1-10H3


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C34H30FN5O4S4/c1-15-25-31(44-28(15)18-9-10-19(48-18)29-17(41-5)11-13-43-29)22(35)26(39(25)3)20-23-24(37-40(4)36-23)21(33(45-7)30(20)42-6)27-34(46-8)32-16(38(27)2)12-14-47-32/h9-14H,1-8H3


key: InChI
value:
  InChI=1S/C34H30FN5O3S5/c1-15-26-31(43-29(15)20-10-9-19(48-20)18-13-16(44-6)14-42-18)23(35)27(39(26)3)21-24-25(37-40(4)36-24)22(33(45-7)30(21)41-5)28-34(46-8)32-17(38(28)2)11-12-47-32/h9-14H,1-8H3


key: InChI
value:
  InChI=1S/C34H33FN6O2S5/c1-14-13-38(3)25-29(14)48-34(33(25)46-10)26-15(2)22-28(43-26)19(35)23(40(22)5)17-20-21(37-41(6)36-20)18(31(44-8)27(17)42-7)24-32(45-9)30-16(39(24)4)11-12-47-30/h11-13H,1-10H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(cs2)F)C)F)C)c1c(c2c(cc(s2)c2cc3c(c4c(c(c3n2C)c2cc(c(F)n2C)SC)ccs4)c2cc(c(o2)F)OC)n1C)OC	


key: InChI
value:
  InChI=1S/C44H31F4N5O4S5/c1-16-28(33-34(50-62-49-33)31(32(16)46)37-17(2)40-38(57-37)20(45)15-60-40)36-39(55-7)42-23(52(36)4)13-26(61-42)21-11-19-30(24-14-25(54-6)44(48)56-24)41-18(9-10-59-41)29(35(19)51(21)3)22-12-27(58-8)43(47)53(22)5/h9-15H,1-8H3


key: CAN_SMILES
value:
  COc1cc(oc1F)c1c2cc(n(c2c(c2c1scc2)c1cc(c(n1C)F)SC)C)c1cc2c(s1)c(c(n2C)c1c(C)c(F)c(c2c1nsn2)c1oc2c(c1C)scc2F)OC	


key: InChI
value:
  InChI=1S/C34H30F2N6O2S5/c1-39-14-17(43-5)25-28(39)33(46-7)27(40(25)2)21-16(35)12-15(23-24(21)38-42(4)37-23)30-34(47-8)29-31(44-30)22(36)26(41(29)3)19-13-20(45-6)32(49-19)18-10-9-11-48-18/h9-14H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)C)c1c(c(co1)F)SC)F)OC)c1c(c(c(s1)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1)F)SC	


key: InChI
value:
  InChI=1S/C47H36F4N2O4S6/c1-19-10-22(13-25(11-19)54-4)31-27-16-29(62-41(27)32(30-20(2)18-61-44(30)31)23-12-24(48)15-26(14-23)58-7)43-36(51)46(60-9)45(63-43)34-38-37(53-47(56-6)21(3)52-38)33(35(50)39(34)55-5)40-42(59-8)28(49)17-57-40/h10-18H,1-9H3


key: CAN_SMILES
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)F)F)c(cs3)OC)c2ccc(cc2)C)c1C)F)C	


key: InChI
value:
  InChI=1S/C49H41F3N2O6S2/c1-20-12-14-27(15-13-20)34-31-23(4)43(60-44(31)33(35-30(55-8)19-62-48(34)35)28-16-21(2)37(51)29(50)17-28)46-38(52)25(6)42(59-46)32-24(5)41(56-9)36(45-47(61-11)22(3)18-58-45)40-39(32)54-49(57-10)26(7)53-40/h12-19H,1-11H3


key: CAN_SMILES
value:
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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:
  InChI=1S/C36H32F2N2O6S/c1-13-11-43-29-16(4)21-25(38)34(45-30(21)15(3)20(13)29)33-24(37)18(6)31(46-33)22-17(5)28(41-8)23(32-35(47-10)14(2)12-44-32)27-26(22)40-36(42-9)19(7)39-27/h11-12H,1-10H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)C)c1c(c(co1)F)SC)F)OC)c1c(c(c(s1)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)c(co3)OC)c2cc(c(c(c2)F)C)F)c1SC)F)SC	


key: CAN_SMILES
value:
  CSc1c(F)c(sc1c1c(OC)c(F)c(c2c1nc(C)c(n2)OC)c1occ(c1SC)F)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/C49H39F5N2O6S4/c1-18-12-23(13-19(2)20(18)3)29-31-28(57-6)17-61-39(31)30(24-14-25(50)21(4)26(51)15-24)32-40(29)62-43(45(32)64-10)47-36(54)48(65-11)46(66-47)34-38-37(56-49(59-8)22(5)55-38)33(35(53)41(34)58-7)42-44(63-9)27(52)16-60-42/h12-17H,1-11H3


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)SC)s1)F	


key: InChI
value:
  InChI=1S/C51H43F3N4O5S5/c1-22-21-65-51-47(63-10)50(68-48(22)51)38-43-42(55-41(26-16-32(59-6)24(3)33(17-26)60-7)40(56-43)25-14-28(52)23(2)29(53)15-25)37(45(61-8)46(38)62-9)36-19-31-49(67-36)39(54)44(58(31)5)35-13-12-34(66-35)30-18-27(64-11)20-57(30)4/h12-21H,1-11H3


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)c1c(c2c(c(cn2C)C)s1)SC)F	


key: InChI
value:
  InChI=1S/C50H43F3N4O5S5/c1-20-18-56(5)40-44(20)66-49(48(40)63-12)39-34(53)46-28(57(39)6)17-31(65-46)32-37-38(33(42(61-10)41(32)60-9)47-43(62-11)50-45(67-47)21(2)19-64-50)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: 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)c1ccc(c2cc(c(n2C)c2c(c3c(c(c(c4c(c(c(c5c4nc(c(n5)c4cc(c(c(c4)OC)C)OC)c4cc(c(c(c4)F)C)F)c4cc5c(s4)c(c(n5C)c4ccc(c5cc(cn5C)SC)s4)F)OC)OC)s3)OC)s2)C)SC)s1)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C102H84F6N8O10S10/c1-41-40-129-101-92(125-19)99(134-94(41)101)73-83-81(109-79(49-31-60(117-11)44(4)61(32-49)118-12)77(111-83)47-27-52(103)42(2)53(104)28-47)71(88(121-15)90(73)123-17)68-38-59-98(133-68)76(108)86(116(59)10)67-26-24-65(131-67)57-36-70(128-22)87(114(57)8)95-46(6)96-102(135-95)93(126-20)100(136-96)74-84-82(110-80(50-33-62(119-13)45(5)63(34-50)120-14)78(112-84)48-29-54(105)43(3)55(106)30-48)72(89(122-16)91(74)124-18)69-37-58-97(132-69)75(107)85(115(58)9)66-25-23-64(130-66)56-35-51(127-21)39-113(56)7/h23-40H,1-22H3


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C56H51F2N5O3S5/c1-24-17-25(2)19-31(18-24)43-42(30-16-15-26(3)33(20-30)64-10)59-44-37(47-40(57)56-46(63(47)9)35(67-13)23-69-56)28(5)52(68-14)39(45(44)60-43)34-21-32-54(70-34)41(58)49(62(32)8)53-29(6)38-50(65-11)48-36(27(4)22-61(48)7)51(66-12)55(38)71-53/h15-23H,1-14H3


key: CAN_SMILES
value:
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key: SMILES
value:
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key: InChI
value:
  InChI=1S/C51H35F7N4O2S8/c1-18-10-19(12-21(52)11-18)35-36(20-13-26(63-4)31(55)27(14-20)65-6)60-38-30(45-34(58)51-44(71-45)24(54)17-70-51)47(67-8)42(64-5)29(37(38)59-35)39-32(56)49-40(62(39)3)33(57)50(72-49)41-46(66-7)28-25(61(41)2)15-22-23(53)16-69-43(22)48(28)68-9/h10-17H,1-9H3


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


key: InChI
value:
  InChI=1S/C30H24F2N4O3S4/c1-35-16(24-25-15(33-39-34-25)10-20(40-4)28(24)42-6)9-14-23(18-12-19(37-3)30(32)38-18)27-13(7-8-43-27)22(26(14)35)17-11-21(41-5)29(31)36(17)2/h7-12H,1-6H3


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(c2)c(c(n3C)c2c(c3c(c(c(c4c(c(c(c5c4nc(c(n5)c4cc(cc(c4)C)C)c4ccc(c(c4)OC)C)c4cc5c(s4)c(c(n5C)c4oc5c(c(c6c(c5)c(cn6C)F)F)c4F)F)SC)C)n3C)F)s2)SC)F)F)c1F)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C104H78F10N10O4S8/c1-39-25-40(2)28-49(27-39)80-78(47-23-21-43(5)56(31-47)125-15)115-82-63(89-74(111)101-88(123(89)13)62(129-17)38-133-101)45(7)97(130-18)67(84(82)117-80)60-36-55-100(134-60)77(114)92(121(55)11)96-73(110)66-59(128-96)34-52-69(106)93(122(12)87(52)71(66)108)104-103(132-20)94-102(136-104)75(112)90(124(94)14)64-46(8)98(131-19)68(85-83(64)116-79(48-24-22-44(6)57(32-48)126-16)81(118-85)50-29-41(3)26-42(4)30-50)61-35-54-99(135-61)76(113)91(120(54)10)95-72(109)65-58(127-95)33-51-53(105)37-119(9)86(51)70(65)107/h21-38H,1-20H3


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(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC)OC	


key: InChI
value:
  InChI=1S/C51H39F2NO6S3Se3/c1-22-12-13-24(15-23(22)2)36-38-33(61-8)21-63-48(38)37(25-16-29(53)47(62-9)31(17-25)58-5)39-42(36)54(3)43(46(39)60-7)49-32(59-6)20-35(65-49)51-41-40(50(66-51)34-11-10-14-64-34)44(55)26-18-28(52)30(57-4)19-27(26)45(41)56/h10-21H,1-9H3


key: CAN_SMILES
value:
  COc1cc([se]c1c1n(C)c2c(c1OC)c(c1cc(F)c(c(c1)OC)SC)c1c(c2c2ccc(c(c2)C)C)c(SC)cs1)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)F)c1ccc[se]1	


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(cc(c2c(cc(n2C)c2c(cc(c3ccc(c4c3nc(c(n4)c3cc(c(c(c3)C)OC)OC)c3cc(c(c(c3)F)SC)F)c3c(c(c(n3C)c3c(cc(c4c(ccn4C)SC)s3)C)C)C)n2C)SC)SC)s1)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)c1sc(cc1C)c1c(SC)cc(n1C)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)c1sc(cc1C)c1c(SC)ccn1C)C)C)C	


key: InChI
value:
  InChI=1S/C96H92F4N10O4S8/c1-45-31-53(39-69(111-15)91(45)113-17)76-78(55-35-62(97)95(119-23)63(98)36-55)101-80-58(66-41-57(115-19)44-106(66)10)25-27-60(82(80)103-76)84-50(6)52(8)87(110(84)14)94-48(4)34-75(122-94)90-73(118-22)43-68(108(90)12)88-72(117-21)42-67(107(88)11)59-26-28-61(85-49(5)51(7)86(109(85)13)93-47(3)33-74(121-93)89-71(116-20)29-30-105(89)9)83-81(59)102-79(56-37-64(99)96(120-24)65(100)38-56)77(104-83)54-32-46(2)92(114-18)70(40-54)112-16/h25-44H,1-24H3


key: InChI
value:
  InChI=1S/C33H28N2O5S3Se/c1-15-10-22(40-30(15)20-9-8-19(35(20)4)21-11-17(38-5)13-34(21)3)31-25-26(32(43-31)23-12-18(41-6)14-44-23)29(37)27-24(28(25)36)16(2)39-33(27)42-7/h8-14H,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)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(c(s3)c2c(c(c(c3c(c(c(c4c3nc(c(n4)OC)C)c3c(c(c(o3)c3oc4c(c(c5c(c4c4cc(c(c(c4)C)F)F)c(cs5)OC)c4ccc(cc4)C)c3C)F)C)C)OC)o2)SC)C)OC)c2ccc(cc2)C)c1C)F)C	


key: CAN_SMILES
value:
  CSc1c(C)c(oc1c1c(OC)c(C)c(c2c1nc(C)c(n2)OC)c1oc(c(c1C)F)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1)c1sc2c(c1OC)c(c1cc(C)c(c(c1)F)F)c1c(c2c2ccc(cc2)C)c(C)c(o1)c1oc(c(c1F)C)c1c(C)c(OC)c(c2c1nc(OC)c(n2)C)c1occ(c1SC)C	


key: InChI
value:
  InChI=1S/C98H80F6N4O12S4/c1-37-23-27-51(28-24-37)64-58-42(6)82(118-85(58)62(66-57(109-15)36-123-94(64)66)53-31-39(3)70(101)55(99)33-53)90-72(103)47(11)81(117-90)61-45(9)79(111-17)69(77-75(61)108-98(114-20)50(14)106-77)89-93(122-22)48(12)84(120-89)96-87(112-18)67-63(54-32-40(4)71(102)56(100)34-54)86-59(65(95(67)124-96)52-29-25-38(2)26-30-52)43(7)83(119-86)91-73(104)46(10)80(116-91)60-44(8)78(110-16)68(88-92(121-21)41(5)35-115-88)76-74(60)107-97(113-19)49(13)105-76/h23-36H,1-22H3


key: InChI
value:
  InChI=1S/C32H21F2NO6SSe2/c1-35-12-15(38-2)8-19(35)20-5-6-21(40-20)30-18(34)11-23(41-30)31-26-27(32(44-31)25-7-14(33)13-43-25)28(36)16-9-22(39-3)24(42-4)10-17(16)29(26)37/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C30H12F4O7SSe/c1-9-7-38-25-14(9)26(37-2)27-18(19(25)32)20(33)28(41-27)29-11(31)6-12(42-29)23-17-16(24(40-23)13-4-3-5-43-13)21(35)10-8-39-30(34)15(10)22(17)36/h3-8H,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)c1oc2c(c(c3c(c2)c(c(n3C)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(c4)c(cn5C)F)F)c3F)C)SC)OC)n2C)F)F)c1F)C	


key: CAN_SMILES
value:
  COc1c(SC)c(c2cc(c(s2)c2oc3c(c2F)c(F)c2c(c3)c(F)cn2C)C)c2c(c1c1ccc(n1C)c1n(C)c3c(c1F)cc1c(c3F)c(F)c(o1)c1sc(cc1C)c1c(SC)c(OC)c(c3c1nc(c1cc(F)c(c(c1)OC)OC)c(n3)c1ccc(c(c1)C)F)c1cccn1C)nc(c(n2)c1cc(F)c(c(c1)OC)OC)c1ccc(c(c1)C)F	


key: InChI
value:
  InChI=1S/C92H68F10N8O8S4/c1-37-26-41(19-21-47(37)93)72-74(43-30-49(95)83(113-11)57(32-43)111-9)105-78-65(91(119-15)85(115-13)61(76(78)103-72)52-18-17-25-107(52)5)59-28-40(4)90(121-59)88-71(102)64-56(118-88)35-46-67(98)82(110(8)81(46)69(64)100)54-24-23-53(109(54)7)62-77-79(106-75(44-31-50(96)84(114-12)58(33-44)112-10)73(104-77)42-20-22-48(94)38(2)27-42)66(92(120-16)86(62)116-14)60-29-39(3)89(122-60)87-70(101)63-55(117-87)34-45-51(97)36-108(6)80(45)68(63)99/h17-36H,1-16H3


key: InChI
value:
  InChI=1S/C28H12F2O5S5/c1-9-18-11(8-37-9)21(31)19-20(22(18)32)24(14-3-10(29)7-38-14)35-25(19)15-5-16(36-2)28(39-15)17-4-13-27(40-17)26-23(34-13)12(30)6-33-26/h3-8H,1-2H3


key: InChI
value:
  InChI=1S/C33H21FN2O7S5/c1-37-18-11-38-15-7-14(40-26(15)18)21-19(44-2)6-12(22-23(21)35-9-20(36-22)45-3)24-31(46-4)27-16(41-24)8-17(42-27)30-33(47-5)29-32(48-30)28-25(43-29)13(34)10-39-28/h6-11H,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)c1oc2c(c(c3c(c2OC)c(co3)C)F)c1F)OC	


key: InChI
value:
  InChI=1S/C34H19F3O7Se3/c1-12-11-43-28-20(12)29(42-4)30-23(24(28)36)25(37)31(44-30)32-17(41-3)10-19(46-32)34-22-21(33(47-34)18-6-5-7-45-18)26(38)13-8-15(35)16(40-2)9-14(13)27(22)39/h5-11H,1-4H3


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(c(n2C)c2c(c3c(c(c(c4c(c(c(c5c4nc(c(n5)OC)OC)c4c(c5c(s4)c(c(n5C)c4ccc(c5cc(cn5C)SC)s4)SC)F)SC)C)n3C)SC)o2)C)SC)s1)SC)F	


key: CAN_SMILES
value:
  CSc1cn(c(c1)c1ccc(s1)c1c(SC)c2c(n1C)c(c(s2)c1c(SC)c(C)c(c2c1nc(OC)c(n2)OC)c1c(SC)c2c(n1C)c(c(o2)c1c(SC)cc(n1C)c1ccc(s1)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)F)C	


key: InChI
value:
  InChI=1S/C78H74F2N10O6S12/c1-31-30-95-63-53(31)87(7)58(69(63)101-19)43-32(2)65(99-17)45(51-49(43)81-75(91-11)77(83-51)93-13)67-48(80)61-74(108-67)72(104-22)57(90(61)10)41-26-24-39(106-41)37-28-42(98-16)55(86(37)6)62-34(4)54-64(96-62)70(102-20)59(88(54)8)44-33(3)66(100-18)46(52-50(44)82-76(92-12)78(84-52)94-14)68-47(79)60-73(107-68)71(103-21)56(89(60)9)40-25-23-38(105-40)36-27-35(97-15)29-85(36)5/h23-30H,1-22H3


key: InChI
value:
  InChI=1S/C29H25FN4O3S3/c1-12-7-15(26-20(30)17(38-5)10-36-26)21-22(32-40-31-21)19(12)24-28(39-6)14(3)29(11-34(24)29)18-8-16-23(33(18)4)27-25(37-16)13(2)9-35-27/h7-10,14H,11H2,1-6H3/t14-,29+,34-/m0/s1


key: InChI
value:
  InChI=1S/C30H20O4S4Se2Si/c1-11-7-14(34-25(11)15-9-18-29(40-15)28-17(41-18)5-6-37-28)26-20-21(27(38-26)16-8-13(35-3)10-39-16)24(32)22-19(23(20)31)12(2)33-30(22)36-4/h5-10H,41H2,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)C)c1c(c(co1)F)SC)F)OC)c1c(c(c(s1)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)cc(s3)c1c(c(c(c2c(c(c(c3c2nc(c(n3)C)OC)c2c(c(c(s2)c2cc3c(c4c(c(c3n2C)c2cc(c(F)n2C)SC)ccs4)c2cc(c(o2)F)OC)F)SC)OC)F)o1)SC)F)c1cc(c(o1)F)OC)F)SC	


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


key: InChI
value:
  InChI=1S/C86H64F10N8O10S10/c1-29-85(109-11)99-60-51(69-73(117-15)35(87)28-111-69)55(88)67(107-9)53(62(60)97-29)76-79(119-17)59(92)75(124-76)39-22-33-50(41-27-43(106-8)84(96)113-41)72-34(48(65(33)102(39)4)37-25-46(116-14)82(94)104(37)6)23-44(122-72)66-57(90)78(118-16)70(114-66)52-56(89)68(108-10)54(63-61(52)100-86(110-12)30(2)98-63)77-80(120-18)58(91)74(123-77)38-21-32-49(40-26-42(105-7)83(95)112-40)71-31(19-20-121-71)47(64(32)101(38)3)36-24-45(115-13)81(93)103(36)5/h19-28H,1-18H3


key: InChI
value:
  InChI=1S/C30H19FO5S6/c1-12-21-14(11-39-12)24(32)22-23(26(21)34)27(17-7-13(31)10-40-17)36-28(22)18-9-20-30(41-18)19(42(20)4)8-15(35-2)25(33)29-16(37-3)5-6-38-29/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C15H9FN4Se2/c1-20-18-10-5-7(16)4-8(13(10)19-20)12-6-11-15(22-12)14-9(17-11)2-3-21-14/h2-6,17H,1H3


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


key: InChI
value:
  InChI=1S/C15H10FGeN3OS/c1-20-18-11-5-7(16)4-8(13(11)19-20)12-6-10-14(21-12)15-9(17-10)2-3-22-15/h2-6H,17H2,1H3


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(c(c(o2)c2c(c3c(c(c(c4c(c(c(c5c4nc(c(n5)c4cc(cc(c4)C)C)c4ccc(c(c4)OC)C)c4cc5c(s4)c(c(n5C)c4c(c5c(c(co5)OC)n4C)OC)F)SC)C)n3C)F)s2)SC)OC)n1C)OC)F	


key: CAN_SMILES
value:
  COc1cc(ccc1C)c1nc2c(nc1c1cc(C)cc(c1)C)c(c1cc3c(s1)c(c(n3C)c1n(C)c3c(c1OC)occ3OC)F)c(c(c2c1n(C)c2c(c1F)sc(c2SC)c1oc2c(c1OC)n(c(c2OC)c1n(C)c2c(c1F)sc(c2)c1c(SC)c(C)c(c2c1nc(c1cc(C)cc(c1)C)c(n2)c1ccc(c(c1)OC)C)c1n(C)c2c(c1F)scc2SC)C)C)SC	


key: InChI
value:
  InChI=1S/C100H88F4N10O8S8/c1-41-29-42(2)32-51(31-41)71-69(49-27-25-45(5)55(35-49)115-15)105-73-61(79-65(101)97-78(112(79)12)60(123-21)40-127-97)47(7)93(124-22)63(75(73)107-71)59-38-54-96(129-59)68(104)82(110(54)10)84-88(119-19)91-85(114(84)14)89(120-20)92(122-91)100-99(126-24)86-98(130-100)66(102)80(113(86)13)62-48(8)94(125-23)64(58-37-53-95(128-58)67(103)81(109(53)9)83-87(118-18)90-77(111(83)11)57(117-17)39-121-90)76-74(62)106-70(50-28-26-46(6)56(36-50)116-16)72(108-76)52-33-43(3)30-44(4)34-52/h25-40H,1-24H3


key: InChI
value:
  InChI=1S/C16H12N4OSe/c1-8-3-4-9-14(19-20(2)18-9)13(8)12-7-11-15(21-12)16-10(17-11)5-6-22-16/h3-7,17H,1-2H3


key: InChI
value:
  InChI=1S/C17H15FN4O2/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(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1oc2c3[se]c(cc3[nH]c2c1)c1c(c(c(c2c(c(c(c3c2nc(c(n3)c2ccc(c(c2)SC)F)c2ccc(cc2)SC)c2c(c(c(n2C)c2oc3c4[se]ccc4[nH]c3c2)OC)F)F)SC)o1)F)SC)OC)F	


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3oc(c(c3F)SC)c3[se]c4c(c3)[nH]c3c4oc(c3)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(c1)[nH]c1c2[se]cc1)OC)F	


key: InChI
value:
  InChI=1S/C84H58F8N8O6S8Se2/c1-99-69(45-29-42-73(104-45)83-41(93-42)25-26-115-83)78(101-3)59(91)72(99)52-57(89)81(113-11)54(68-66(52)98-64(36-18-24-40(86)48(28-36)110-8)62(96-68)34-15-21-38(108-6)22-16-34)77-60(92)82(114-12)75(106-77)50-31-44-84(116-50)74-43(94-44)30-46(105-74)70-79(102-4)58(90)71(100(70)2)51-56(88)80(112-10)53(76-55(87)49(111-9)32-103-76)67-65(51)97-63(35-17-23-39(85)47(27-35)109-7)61(95-67)33-13-19-37(107-5)20-14-33/h13-32,93-94H,1-12H3


key: InChI
value:
  InChI=1S/C19H20N4O2S/c1-11-6-7-12-17(21-23(3)20-12)16(11)19-14(24-4)10-13(25-19)18-15(26-5)8-9-22(18)2/h6-10H,1-5H3


key: InChI
value:
  InChI=1S/C15H10GeN2O2S2/c1-19-10-3-2-9-13(18-22-17-9)12(10)11-6-8-14(20-11)15-7(16-8)4-5-21-15/h2-6H,16H2,1H3


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1)F	


key: InChI
value:
  InChI=1S/C44H25F3O5S4Se/c1-18-8-20(11-23(9-18)50-3)32-25-14-29(56-41(25)33(31-19(2)17-54-43(31)32)21-10-22(45)13-24(12-21)53-4)42-27(46)15-28(55-42)39-36-35(40(52-39)30-6-5-7-57-30)37(48)26-16-51-44(47)34(26)38(36)49/h5-17H,1-4H3


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1	


key: InChI
value:
  InChI=1S/C17H11FN2O5S2/c1-21-8-4-7-10(20-25-19-7)9(12(8)22-2)15-17(26-3)14-16(27-15)13-11(24-14)6(18)5-23-13/h4-5H,1-3H3


key: InChI
value:
  InChI=1S/C31H16F2O8S3/c1-37-12-4-5-13-14(7-12)22(36)20-19(21(13)35)24(17-6-11(32)9-38-17)41-25(20)18-8-16(34)28(42-18)30-31(44(2)3)27-29(43-30)26-23(40-27)15(33)10-39-26/h4-10H,1-3H3


key: InChI
value:
  InChI=1S/C30H14F2O6SSe3/c1-35-15-7-12-11(6-13(15)31)23(33)21-22(24(12)34)30(42-29(21)19-4-3-5-40-19)20-9-17(36-2)28(41-20)18-8-16-27(39-18)26-25(38-16)14(32)10-37-26/h3-10H,1-2H3


key: InChI
value:
  InChI=1S/C15H10GeN2OS2Se/c1-19-10-3-2-9-13(18-21-17-9)12(10)11-6-8-14(20-11)15-7(16-8)4-5-22-15/h2-6H,16H2,1H3


key: InChI
value:
  InChI=1S/C17H17N3O4S2/c1-20-13-9(21-2)7-23-16(13)15(22-3)14(20)11-12-8(18-24-19-12)6-10(25-4)17(11)26-5/h6-7H,1-5H3


key: InChI
value:
  InChI=1S/C17H15FN4O/c1-10-7-15(14-5-4-6-21(14)2)23-17(10)12-8-11(18)9-13-16(12)20-22(3)19-13/h4-9H,1-3H3


key: InChI
value:
  InChI=1S/C23H24N4O2S/c1-11-8-9-14-18(25-27(5)24-14)15(11)22-13(3)17-20(28-6)19-16(12(2)10-26(19)4)21(29-7)23(17)30-22/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C18H18N4O2S/c1-21-10-11(23-3)9-15(21)13-6-7-14(22(13)2)17-16(24-4)8-5-12-18(17)20-25-19-12/h5-10H,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)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(c(s3)c1ccc(c2c3c(c([se]2)c2cc(c([se]2)c2c(c4c(c5c(c(c4n2C)c2cc(c(cc2)C)C)c(cs5)SC)c2cc(c(c(c2)F)SC)OC)OC)OC)C(=O)c2c(C3=O)cc(c(c2)OC)F)[se]1)SC)c1cc(c(c(c1)F)SC)OC)OC)OC	


key: CAN_SMILES
value:
  COc1cc(cc(c1SC)F)c1c2sc(c(c2c(c2c1c(OC)c(n2C)c1[se]c(cc1OC)c1[se]c(c2c1C(=O)c1cc(OC)c(cc1C2=O)F)c1ccc[se]1)c1ccc(c(c1)C)C)SC)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(c1ccc(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)OC)SC)scc1SC	


key: InChI
value:
  InChI=1S/C102H76F4N2O12S6Se6/c1-41-21-23-45(28-43(41)3)69-73-63(121-15)40-125-94(73)71(47-30-55(105)91(122-16)59(32-47)115-9)74-81(69)107(5)83(89(74)119-13)97-62(118-12)39-68(130-97)102-79-77(86(110)50-35-54(104)58(114-8)37-52(50)88(79)112)100(132-102)66-26-25-64(128-66)93-96(124-18)80-70(46-24-22-42(2)44(4)29-46)82-75(72(95(80)126-93)48-31-56(106)92(123-17)60(33-48)116-10)90(120-14)84(108(82)6)98-61(117-11)38-67(129-98)101-78-76(99(131-101)65-20-19-27-127-65)85(109)49-34-53(103)57(113-7)36-51(49)87(78)111/h19-40H,1-18H3


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(c(o3)c3c(c4c(c(c(c5c(c(c(c6c5nc(c(n6)c5cc(c(c(c5)F)OC)F)c5cc(c(c(c5)C)OC)SC)c5c(c6c(s5)c(c(n6C)c5cc6c(c7c(c(co7)SC)o6)n5C)SC)OC)OC)SC)n4C)OC)s3)F)SC)o2)n1C)SC)OC	


key: CAN_SMILES
value:
  CSc1cc(cc(c1OC)C)c1nc2c(nc1c1cc(F)c(c(c1)F)OC)c(c1sc3c(c1OC)n(c(c3SC)c1cc3c(n1C)c1c(o3)c(co1)SC)C)c(c(c2c1c(OC)c2c(n1C)c(c(s2)c1oc2c(c1SC)oc1c2n(C)c(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/C106H90F6N10O14S12/c1-39-27-41(33-54(137-19)80(39)123-9)62-64(43-29-45(107)82(125-11)46(108)30-43)115-68-59(85(127-13)95(140-22)57(66(68)113-62)75-89(129-15)100-70(119(75)5)49(111)38-145-100)97-92(132-18)79-105(147-97)103(143-25)72(121(79)7)51-36-53-74(118(51)4)88-93(135-53)106(144-26)94(136-88)99-61(112)77-101(148-99)90(130-16)76(122(77)8)58-67-69(116-65(44-31-47(109)83(126-12)48(110)32-44)63(114-67)42-28-40(2)81(124-10)55(34-42)138-20)60(86(128-14)96(58)141-23)98-91(131-17)78-104(146-98)102(142-24)71(120(78)6)50-35-52-73(117(50)3)87-84(134-52)56(139-21)37-133-87/h27-38H,1-26H3


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


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(c2c2ccc(s2)F)c(cs3)SC)c2cc(c(s2)OC)C)c1)F	


key: InChI
value:
  InChI=1S/C43H25F3O4S6Se2/c1-16-8-19-20(11-23(16)49-3)37(48)35-34(36(19)47)41(58-42(35)29-10-18(44)15-57-29)27-13-22(45)39(55-27)26-12-21-31(25-9-17(2)43(50-4)56-25)40-33(28(51-5)14-52-40)32(38(21)54-26)24-6-7-30(46)53-24/h6-15H,1-5H3


key: CAN_SMILES
value:
  COc1cc2C(=O)c3c([se]c(c3C(=O)c2cc1C)c1cc(c(s1)c1cc2c(s1)c(c1ccc(s1)F)c1c(c2c2cc(c(s2)OC)C)scc1SC)F)c1[se]cc(c1)F	


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(o3)C)SC)cc(s4)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)c6oc7c(c(c8c(c7c7cc(c(o7)C)SC)ccs8)c7cc(c(F)n7C)OC)c6OC)F)n5C)F)OC)SC)s4)F)s3)F)c3cc(c(F)n3C)OC)c2OC)F)n1C)F	


key: CAN_SMILES
value:
  CSc1cc(oc1C)c1c2cc(sc2c(c2c1oc(c2OC)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)c1cc(c(n1C)F)OC)c1sc2c(c1F)sc(c2F)c1c(SC)c(OC)c(c2c1nc(c1cc(OC)c(c(c1)SC)F)c(n2)c1cc(C)cc(c1)F)c1c(F)c2c(n1C)c(c(s2)c1oc2c(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)ccs1)F	


key: InChI
value:
  InChI=1S/C122H84F14N8O12S14/c1-41-25-45(29-49(123)27-41)86-88(47-31-58(145-9)77(126)64(33-47)159-19)139-92-75(110-84(133)118-108(166-110)53(125)40-164-118)112(161-21)102(151-15)73(90(92)137-86)94-79(128)115-97(143(94)7)82(131)117(170-115)105-101(150-14)72-70(55-37-61(148-12)122(136)142(55)6)107-52(68(99(72)156-105)57-39-63(158-18)44(4)154-57)35-66(165-107)109-83(132)119-120(167-109)85(134)111(168-119)76-93-91(138-87(46-26-42(2)28-50(124)30-46)89(140-93)48-32-59(146-10)78(127)65(34-48)160-20)74(103(152-16)113(76)162-22)95-80(129)114-96(144(95)8)81(130)116(169-114)104-100(149-13)71-69(54-36-60(147-11)121(135)141(54)5)106-51(23-24-163-106)67(98(71)155-104)56-38-62(157-17)43(3)153-56/h23-40H,1-22H3


key: InChI
value:
  InChI=1S/C16H12GeN2O3SSe/c1-20-10-6-9-13(19-22-18-9)12(14(10)21-2)11-5-8-15(23-11)16-7(17-8)3-4-24-16/h3-6H,17H2,1-2H3


key: InChI
value:
  InChI=1S/C19H12F3N3O4/c1-25-6-8(20)7-4-10-12(14(21)17(7)25)15(22)19(28-10)13-16-9(23-29-24-16)5-11(26-2)18(13)27-3/h4-6H,1-3H3


key: InChI
value:
  InChI=1S/C16H12N2OS3SeSi/c1-20-8-5-7-13(18-19-17-7)12(14(8)21-2)9-6-11-16(23-9)15-10(24-11)3-4-22-15/h3-6H,24H2,1-2H3


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)c1[se]c2c3[se]c(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)c3[se]c4c5[se]ccc5[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)c1[se]c3c(c1)[nH]c1c3[se]cc1)C)c(c(c2c1c(OC)c2c(n1C)c(c(s2)c1[se]c2c(c1)[nH]c1c2[se]c(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/C102H82F6N10O10S10Se4/c1-37-25-39(31-52(129-17)78(37)119-7)62-64(41-27-43(103)80(121-9)44(104)28-41)113-68-59(82(123-11)89(131-19)57(66(68)111-62)73-84(125-13)93-70(115(73)3)47(107)36-135-93)91-87(128-16)77-98(138-91)96(134-22)72(117(77)5)55-34-50-101(141-55)102-51(110-50)35-56(142-102)88-61(108)75-94(136-88)85(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)53(32-40)130-18)60(83(124-12)90(58)132-20)92-86(127-15)76-97(137-92)95(133-21)71(116(76)4)54-33-49-100(140-54)99-48(109-49)23-24-139-99/h23-36,109-110H,1-22H3


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)c1[se]c2c3sc(cc3[SiH2]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)c3[se]c4c5sccc5[SiH2]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)c1[se]c3c(c1)[SiH2]c1c3scc1)C)c(c(c2c1c(OC)c2c(n1C)c(c(s2)c1sc2c(c1)[SiH2]c1c2[se]c(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/C102H84F6N8O10S12Se2Si2/c1-37-25-39(31-48(127-17)78(37)117-7)62-64(41-27-43(103)80(119-9)44(104)28-41)111-68-59(82(121-11)91(129-19)57(66(68)109-62)73-84(123-13)95-70(113(73)3)47(107)36-134-95)93-87(126-16)77-100(138-93)98(132-22)72(115(77)5)52-35-56-102(140-52)90-54(142-56)33-50(135-90)88-61(108)75-96(136-88)85(124-14)74(116(75)6)58-67-69(112-65(42-29-45(105)81(120-10)46(106)30-42)63(110-67)40-26-38(2)79(118-8)49(32-40)128-18)60(83(122-12)92(58)130-20)94-86(125-15)76-99(137-94)97(131-21)71(114(76)4)51-34-55-101(139-51)89-53(141-55)23-24-133-89/h23-36H,141-142H2,1-22H3


key: InChI
value:
  InChI=1S/C30H15F2NO4SSe4/c1-36-17-6-12-13(7-19(17)38-2)25(35)22-23(24(12)34)30(21-5-11(31)10-40-21)42-29(22)18-8-14(32)26(37-18)20-9-16-28(41-20)27-15(33-16)3-4-39-27/h3-10,33H,1-2H3


key: InChI
value:
  InChI=1S/C31H22FNO7S2/c1-13-12-41-31-23(13)33(2)24(29(31)38-5)30-19(37-4)10-20(42-30)28-22-21(27(40-28)18-8-14(32)11-39-18)25(34)16-7-6-15(36-3)9-17(16)26(22)35/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C30H17FO5Se4Si/c1-34-15-9-13-12(8-14(15)31)24(32)22-23(25(13)33)29(40-28(22)18-4-3-6-37-18)19-10-16(35-2)27(39-19)17-11-21-26(36-17)30-20(41-21)5-7-38-30/h3-11H,41H2,1-2H3


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)c1[se]c2c3[se]c(cc3[nH]c2c1)c1cc(c(c2c(c(c(c3c2nc(c(n3)c2cc(c(c(c2)C)F)SC)c2cc(c(c(c2)SC)OC)OC)c2c(c(c(n2C)c2[se]c3c4[se]ccc4[nH]c3c2)SC)C)OC)C)o1)OC)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)c1[se]c2c(c1)[nH]c1c2[se]cc1)SC)c1[se]c2c(c1)[nH]c1c2[se]c(c1)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	


key: InChI
value:
  InChI=1S/C94H84F2N8O10S6Se4/c1-39-27-45(31-58(115-17)69(39)95)71-73(47-29-55(106-10)85(111-15)60(33-47)117-19)99-75-65(87-53(105-9)23-25-113-87)41(3)83(109-13)67(77(75)101-71)79-43(5)90(120-22)82(104(79)8)64-37-52-94(124-64)93-50(98-52)35-62(122-93)54-38-57(108-12)88(114-54)66-42(4)84(110-14)68(80-44(6)89(119-21)81(103(80)7)63-36-51-92(123-63)91-49(97-51)24-26-121-91)78-76(66)100-74(48-30-56(107-11)86(112-16)61(34-48)118-20)72(102-78)46-28-40(2)70(96)59(32-46)116-18/h23-38,97-98H,1-22H3


key: InChI
value:
  InChI=1S/C26H21F3N4O2S2/c1-10-7-13(20-21(34-6)11(2)8-32(20)4)18-19(31-33(5)30-18)15(10)22-12(3)16(28)23(35-22)25-17(29)26-24(37-25)14(27)9-36-26/h7-9H,1-6H3


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)c1sc2c(c(c3c(c2c2ccc(s2)F)c(c(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)c3sc4c(c(c5c(c4c4ccc(s4)F)c(cs5)SC)c4cc(c(s4)OC)C)c3)C)C)n2C)SC)SC)c2cc(c(s2)OC)C)c1)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(c1)c(c1sc(c(c1)C)OC)c1c(c2c2ccc(s2)F)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)c1n(C)c(c(c1C)C)c1sc2c(c1)c(c1sc(c(c1)C)OC)c1c(c2c2ccc(s2)F)c(SC)cs1	


key: InChI
value:
  InChI=1S/C116H96F6N8O6S14/c1-49-33-57(41-74(131-13)105(49)133-15)92-94(59-37-68(117)109(140-22)69(118)38-59)123-96-62(72-43-61(137-19)47-127(72)9)25-27-64(98(96)125-92)100-53(5)56(8)103(129(100)11)82-45-67-87(79-36-52(4)116(136-18)149-79)112-91(89(108(67)147-82)77-30-32-85(122)145-77)113(142-24)114(150-112)104-80(138-20)46-73(128(104)10)63-26-28-65(99-97(63)124-95(60-39-70(119)110(141-23)71(120)40-60)93(126-99)58-34-50(2)106(134-16)75(42-58)132-14)101-54(6)55(7)102(130(101)12)81-44-66-86(78-35-51(3)115(135-17)148-78)111-90(83(139-21)48-143-111)88(107(66)146-81)76-29-31-84(121)144-76/h25-48H,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)c1c(c2c(c(c(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)c4c(c5c(c(cn5C)C)s4)SC)SC)C)OC)s3)s2)C)s1)SC)SC)C	


key: CAN_SMILES
value:
  CSc1cc(cc(c1SC)C)c1nc2c(cc(c(c2nc1c1cc(C)c(c(c1)F)OC)c1sc2c(c1C)oc(c2SC)c1sc2c(c1SC)n(cc2C)C)OC)c1cc2c(s1)cc(s2)c1c(C)c2c(n1C)c(c(s2)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)SC	


key: InChI
value:
  InChI=1S/C98H82F2N6O6S16/c1-39-25-47(29-53(99)79(39)109-13)68-70(49-27-41(3)85(115-17)64(31-49)113-15)101-72-51(58-35-60-57(122-58)23-24-121-60)33-55(107-11)66(74(72)103-68)89-46(8)82-96(127-89)94(120-22)84(112-82)98-92(118-20)78-90(128-98)44(6)76(106(78)10)63-37-62-61(124-63)36-59(123-62)52-34-56(108-12)67(88-45(7)81-95(126-88)93(119-21)83(111-81)97-91(117-19)77-87(125-97)43(5)38-105(77)9)75-73(52)102-71(50-28-42(4)86(116-18)65(32-50)114-16)69(104-75)48-26-40(2)80(110-14)54(100)30-48/h23-38H,1-22H3


key: InChI
value:
  InChI=1S/C17H11FN2SSeSi/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/C30H16F2GeO3S2Se3/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)10-40-21)20-8-15(32)26(38-20)19-9-17-27(37-19)28-16(33-17)3-4-39-28/h3-10H,33H2,1-2H3


key: InChI
value:
  InChI=1S/C32H21F2NO5SSe2/c1-14-8-20(19-6-5-7-35(19)2)39-29(14)30-18(34)12-22(40-30)31-25-26(32(43-31)24-9-15(33)13-42-24)27(36)16-10-21(38-3)23(41-4)11-17(16)28(25)37/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C30H14F2O7S3/c1-35-12-3-4-13-14(6-12)24(34)22-21(23(13)33)25(16-5-11(31)9-37-16)39-26(22)18-7-17(36-2)29(40-18)19-8-20-30(42-19)27-28(41-20)15(32)10-38-27/h3-10H,1-2H3


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(cc(s2)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)c4cc(c(c5c(ccs5)SC)o4)OC)SC)OC)OC)SC)n3C)OC)s2)F)SC)o1)OC)SC)OC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1oc(cc1OC)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)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)c1oc(c(c1)OC)c1sccc1SC)C)C	


key: InChI
value:
  InChI=1S/C106H92F6N8O14S14/c1-41-29-43(35-57(136-20)82(41)123-9)66-68(45-31-47(107)84(125-11)48(108)32-45)115-72-63(88(127-13)97(139-23)61(70(72)113-66)77-90(129-15)101-74(117(77)3)51(111)40-144-101)99-93(132-18)81-106(148-99)104(142-26)76(119(81)5)53-38-55(122-8)87(134-53)96-59(138-22)39-60(145-96)94-65(112)79-102(146-94)91(130-16)78(120(79)6)62-71-73(116-69(46-33-49(109)85(126-12)50(110)34-46)67(114-71)44-30-42(2)83(124-10)58(36-44)137-21)64(89(128-14)98(62)140-24)100-92(131-17)80-105(147-100)103(141-25)75(118(80)4)52-37-54(121-7)86(133-52)95-56(135-19)27-28-143-95/h27-40H,1-26H3


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(SC)n1C)SC)c(c(o3)c1c(cc(c2c3c(c([se]2)c2cc(c(o2)c2c(c4c(c5c(c(c4n2C)c2cc(c(SC)n2C)SC)c(co5)C)c2cc(c(s2)C)C)F)F)C(=O)c2c(C3=O)cc(c(c2)SC)OC)[se]1)F)C)c1cc(c(s1)C)C)F)F	


key: CAN_SMILES
value:
  CSc1c(SC)cc(n1C)c1c2c(C)c(oc2c(c2c1n(C)c(c2F)c1oc(cc1F)c1[se]c(c2c1C(=O)c1cc(SC)c(cc1C2=O)OC)c1[se]cc(c1)F)c1cc(c(s1)C)C)c1[se]c(cc1F)c1[se]c(c2c1C(=O)c1cc(OC)c(cc1C2=O)SC)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/C94H68F6N4O10S8Se4/c1-33-19-55(121-37(33)5)65-67-73(99)77(103(9)75(67)63(61-35(3)31-111-86(61)65)47-29-57(117-15)93(119-17)101(47)7)84-45(97)27-52(113-84)90-70-72(80(106)41-23-50(110-12)54(116-14)25-43(41)82(70)108)92(126-90)60-28-46(98)88(124-60)83-36(4)62-64(48-30-58(118-16)94(120-18)102(48)8)76-68(66(87(62)114-83)56-20-34(2)38(6)122-56)74(100)78(104(76)10)85-44(96)26-51(112-85)89-69-71(91(125-89)59-21-39(95)32-123-59)79(105)40-22-49(109-11)53(115-13)24-42(40)81(69)107/h19-32H,1-18H3


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)C)C)c(co3)OC)c2cc(c(c(c2)F)C)F)c1SC)OC	


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1cc(c(s1)c1oc2c(c1SC)c(c1cc(F)c(c(c1)F)C)c1c(c2c2cc(C)c(c(c2)C)C)c(OC)co1)OC)c1occ(c1)F	


key: InChI
value:
  InChI=1S/C50H35F3O9S2/c1-20-11-24(12-21(2)22(20)3)36-38-34(58-7)19-60-46(38)37(25-13-30(52)23(4)31(53)14-25)41-47(36)62-48(50(41)63-8)49-33(57-6)17-35(64-49)45-40-39(44(61-45)32-15-26(51)18-59-32)42(54)28-10-9-27(56-5)16-29(28)43(40)55/h9-19H,1-8H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cn1C)C)OC)C)c1c(c(c(o1)c1sc2c(c(c3c(c2c2ccc(s2)F)c(cs3)SC)c2cc(c(s2)OC)C)c1)F)C	


key: InChI
value:
  InChI=1S/C41H34F2N4O3S5/c1-17-12-22(35-36(48-7)19(3)15-46(35)5)33-34(45-47(6)44-33)28(17)37-20(4)32(43)38(50-37)25-14-21-29(24-13-18(2)41(49-8)55-24)40-31(26(51-9)16-52-40)30(39(21)54-25)23-10-11-27(42)53-23/h10-16H,1-9H3


key: InChI
value:
  InChI=1S/C31H16F2O6S4/c1-11-4-13-14(6-17(11)36-2)25(35)22-23(24(13)34)30(43-29(22)18-5-12(40-3)9-37-18)19-7-15(32)26(39-19)20-8-21-31(41-20)27-28(42-21)16(33)10-38-27/h4-10H,1-3H3


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(c2C)c(c(o3)c2c(c3c(c(c(c4c(c(c(c5c4nc(c(n5)c4cc(cc(c4)C)C)c4ccc(c(c4)OC)C)c4cc5c(s4)c(c(n5C)c4oc5c(c(c6c(c5C)c(co6)C)C)c4F)F)SC)C)n3C)F)s2)SC)C)C)c1F)F	


key: CAN_SMILES
value:
  COc1cc(ccc1C)c1nc2c(nc1c1cc(C)cc(c1)C)c(c1sc3c(c1)n(c(c3F)c1oc3c(c1F)c(C)c1c(c3C)c(C)co1)C)c(c(c2c1c(F)c2c(n1C)c(c(s2)c1oc2c(c1C)c(C)c1c(c2C)c(F)c(o1)c1c(F)c2c(n1C)cc(s2)c1c(SC)c(C)c(c2c1nc(c1cc(C)cc(c1)C)c(n2)c1ccc(c(c1)OC)C)c1c(F)c2c(n1C)c(cs2)SC)SC)C)SC	


key: InChI
value:
  InChI=1S/C108H88F6N8O6S8/c1-41-29-42(2)32-57(31-41)82-80(55-27-25-45(5)61(35-55)123-19)115-84-70(89-76(111)105-88(121(89)17)65(129-21)40-133-105)53(13)101(130-22)72(86(84)117-82)63-38-60-104(134-63)79(114)92(120(60)16)100-75(110)69-52(12)95-67(49(9)97(69)128-100)50(10)98(126-95)108-107(132-24)93-106(136-108)77(112)90(122(93)18)71-54(14)102(131-23)73(87-85(71)116-81(56-28-26-46(6)62(36-56)124-20)83(118-87)58-33-43(3)30-44(4)34-58)64-37-59-103(135-64)78(113)91(119(59)15)99-74(109)68-51(11)94-66(47(7)39-125-94)48(8)96(68)127-99/h25-40H,1-24H3


key: InChI
value:
  InChI=1S/C37H28FNO8S2/c1-15-13-39(3)28-24(15)34(45-7)37-25(33(28)44-6)16(2)35(49-37)36-22(43-5)12-23(48-36)32-27-26(31(47-32)21-10-17(38)14-46-21)29(40)19-9-8-18(42-4)11-20(19)30(27)41/h8-14H,1-7H3


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(c2c2cc(c(c(c2)C)F)F)c(cs3)OC)c2ccc(cc2)C)c1C)SC	


key: InChI
value:
  InChI=1S/C51H37F4N3O4S6/c1-20-10-12-23(13-11-20)33-31-22(3)42(61-44(31)32(34-28(59-5)19-67-47(33)34)24-14-21(2)37(54)25(52)15-24)27-16-29-41(58(27)4)50(65-9)49(68-29)35-38(55)48(64-8)36(40-39(35)56-17-30(57-40)63-7)45-46(60-6)51-43(62-45)26(53)18-66-51/h10-19H,1-9H3


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:
  InChI=1S/C48H32F2O7S4/c1-21-9-23(12-28(10-21)54-4)38-32-17-36(61-46(32)39(37-22(2)20-59-48(37)38)24-11-25(49)14-29(13-24)58-6)47-34(55-5)18-35(60-47)45-41-40(44(57-45)33-15-26(50)19-56-33)42(51)30-8-7-27(53-3)16-31(30)43(41)52/h7-20H,1-6H3


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C35H27F2N3O3S7/c1-14-8-9-47-30(14)19-11-17(41-3)31(50-19)16-10-18-26(40(16)2)34(46-7)33(49-18)21-23(37)32(45-6)22(25-24(21)38-12-20(39-25)44-5)28-29(42-4)35-27(43-28)15(36)13-48-35/h8-13H,1-7H3


key: InChI
value:
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key: InChI
value:
  InChI=1S/C32H22GeN2O5S4Se/c1-36-20-12-37-18-10-17(39-28(18)20)24-22(41-2)7-13(25-26(24)34-11-23(35-25)42-3)27-31(43-4)29-19(40-27)9-16(38-29)21-8-15-30(44-21)32-14(33-15)5-6-45-32/h5-12H,33H2,1-4H3


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)c1ccc(c2c(cco2)OC)s1)SC)C	


key: InChI
value:
  InChI=1S/C49H39FN2O5S7/c1-22-16-25(18-28(50)42(22)55-6)38-39(26-17-23(2)46(59-8)36(19-26)58-7)51-40-27(34-21-35-31(62-34)13-15-61-35)20-30(54-5)37(41(40)52-38)47-24(3)43-49(64-47)48(60-9)45(57-43)33-11-10-32(63-33)44-29(53-4)12-14-56-44/h10-21H,1-9H3


key: CAN_SMILES
value:
  COc1cc(c2cc3c(s2)ccs3)c2c(c1c1sc3c(c1C)oc(c3SC)c1ccc(s1)c1occc1OC)nc(c(n2)c1cc(C)c(c(c1)SC)SC)c1cc(C)c(c(c1)F)OC	


key: InChI
value:
  InChI=1S/C32H19FN2O6S5/c1-36-18-11-37-16-7-15(40-27(16)18)23-20(42-2)5-12(24-25(23)34-9-22(35-24)43-3)26-32(44-4)28-17(41-26)6-14(39-28)19-8-21-31(45-19)29-30(46-21)13(33)10-38-29/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C34H25F2N3O3S6/c1-14-10-18(17-8-7-9-41-17)47-30(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)28-29(40-3)34-27(42-28)15(35)13-46-34/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C35H28FN3O3S5/c1-15-11-19(21-9-8-10-46-21)40-29(15)34-33(45-7)32-23(47-34)13-20(41-32)25-22(43-5)12-18(26-27(25)37-17(3)35(36)38-26)30-16(2)28-31(42-30)24(44-6)14-39(28)4/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C35H28F2N4O3S5/c1-15-11-19(17-9-8-10-40(17)2)43-28(15)18-12-20-27(41(18)3)34(47-7)33(49-20)22-24(37)32(46-6)23(26-25(22)38-13-21(39-26)45-5)30-31(42-4)35-29(44-30)16(36)14-48-35/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C29H20FNO3S6/c1-11-8-15(37-10-11)24-17-16(21(32)18-19(22(17)33)29(36-5)40-28(18)30)23(34-24)13-6-7-14(38-13)26-27(35-4)20-25(39-26)12(2)9-31(20)3/h6-10H,1-5H3


key: InChI
value:
  InChI=1S/C31H25NO5S4Se/c1-12-8-16(37-26(12)23-27(35-5)30-22(32(23)4)13(2)10-40-30)28-19-20(29(41-28)17-9-15(38-6)11-42-17)25(34)21-18(24(19)33)14(3)36-31(21)39-7/h8-11H,1-7H3


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


key: InChI
value:
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key: InChI
value:
  InChI=1S/C18H17N3OS3/c1-10-9-14(17-13(23-4)7-8-21(17)2)24-18(10)15-12(22-3)6-5-11-16(15)20-25-19-11/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C22H21FN4O2S/c1-10-9-26(3)18-15(10)20(29-6)22-16(19(18)28-5)11(2)21(30-22)13-7-12(23)8-14-17(13)25-27(4)24-14/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C21H19FN2O2S5/c1-25-12-9-11(26-17(12)19-13(27-2)6-7-31-19)15-16-10(8-14(28-3)18(15)29-4)23-20(22)21(24-16)30-5/h6-9H,1-5H3


key: InChI
value:
  InChI=1S/C22H15F4N3OS3/c1-29-7-9(23)8-5-11-13(15(24)18(8)29)16(25)19(30-11)14-17-10(6-12(31-2)20(14)32-3)27-21(26)22(28-17)33-4/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C33H27F2N3O5S3/c1-14-21(44-6)12-18(42-14)23-15-8-9-46-32(15)24(17-11-20(40-4)33(35)38(17)2)25-29(23)43-31(30(25)41-5)26-27(34)19(39-3)10-16-28(26)36-13-22(37-16)45-7/h8-13H,1-7H3


key: InChI
value:
  InChI=1S/C19H18FN3S4/c1-9-8-23(2)14-15(9)27-16(17(14)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/C21H18FN3O2S4/c1-25-10(7-11-16(25)18-17(27-11)13(29-3)8-26-18)14-15-9(6-12(28-2)19(14)30-4)23-20(22)21(24-15)31-5/h6-8H,1-5H3


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)c1cc2c(c3c(c(c(o3)c3cc(c(c4c(c(c(c5c4nc(c(n5)c4cc(c(c(c4)C)F)SC)c4cc(c(c(c4)SC)OC)OC)c4c(c(c(n4C)c4cc5c(c6c(c(co6)SC)o5)n4C)SC)C)OC)C)o3)OC)SC)o2)n1C)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)c1n(C)c(c(c1C)SC)c1cc2c(n1C)c1c(o2)c(co1)SC)c1oc2c(c1SC)oc1c2n(C)c(c1)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	


key: InChI
value:
  InChI=1S/C98H92F2N8O14S8/c1-41-29-47(33-60(123-19)69(41)99)71-73(49-31-56(110-12)87(115-17)62(35-49)125-21)101-75-65(89-53(109-11)27-28-117-89)43(3)85(113-15)67(77(75)103-71)79-45(5)97(129-25)82(108(79)10)52-38-55-84(106(52)8)94-95(120-55)98(130-26)91(122-94)59-39-58(112-14)90(121-59)66-44(4)86(114-16)68(80-46(6)96(128-24)81(107(80)9)51-37-54-83(105(51)7)93-92(119-54)64(127-23)40-118-93)78-76(66)102-74(50-32-57(111-13)88(116-18)63(36-50)126-22)72(104-78)48-30-42(2)70(100)61(34-48)124-20/h27-40H,1-26H3


key: InChI
value:
  InChI=1S/C18H13FN2O2S/c1-10-9-20-17-12(21-10)4-3-11(19)16(17)14-5-6-15(24-14)18-13(22-2)7-8-23-18/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C28H12F4O4S3Se2/c1-35-14-4-10-11(5-16(14)37-2)22(34)18-19(21(10)33)28(17-3-9(29)8-40-17)41-27(18)15-6-12(30)23(36-15)25-20(32)26-24(39-25)13(31)7-38-26/h3-8H,1-2H3


key: InChI
value:
  InChI=1S/C31H22FNO7S2/c1-13-8-15-16(10-19(13)36-3)26(35)22-23(25(15)34)31(42-30(22)20-9-14(41-5)12-39-20)21-11-17(32)27(40-21)24-29(37-4)28-18(33(24)2)6-7-38-28/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C36H28FNO7S3Se/c1-13-11-38(4)26-20(13)33(42-6)35-21(32(26)41-5)14(2)34(48-35)29-17(37)10-18(44-29)30-23-24(31(45-30)19-9-16(46-8)12-47-19)27(39)22-15(3)49-36(43-7)25(22)28(23)40/h9-12H,1-8H3


key: InChI
value:
  InChI=1S/C32H21F2NO3S3Se2/c1-14-7-17-18(10-21(14)38-3)29(37)27-26(28(17)36)31(43-32(27)25-8-15(33)13-42-25)24-11-19(34)30(41-24)23-6-5-22(40-23)20-9-16(39-4)12-35(20)2/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C31H26FN3O3S5/c1-13-22-24(19-10-15(32)14(2)42-19)31-25(20(39-6)12-41-31)23(18-8-9-21(40-7)43-18)29(22)35(3)28(13)26-27-16(33-38-34-27)11-17(36-4)30(26)37-5/h8-12H,1-7H3


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(o2)C)SC)ccs3)c2cc(c(F)n2C)OC)c1OC)SC	


key: InChI
value:
  InChI=1S/C49H40F2N4O6S6/c1-19-38-40(31(64-10)18-54(38)4)60-39(19)23-14-29(63-9)34(37-36(23)53-48(50)20(2)52-37)26-17-30-41(59-26)46(65-11)47(67-30)44-43(57-7)35-33(24-15-27(56-6)49(51)55(24)5)45-22(12-13-66-45)32(42(35)61-44)25-16-28(62-8)21(3)58-25/h12-18H,1-11H3


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C32H19F2NO5SSe2/c1-12-5-15-16(7-19(12)38-4)27(37)24-23(26(15)36)31(43-32(24)22-6-14(33)11-42-22)21-8-17(34)30(41-21)18-9-20-25(35(18)3)29-28(40-20)13(2)10-39-29/h5-11H,1-4H3


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(c2C)c(co3)C)C)c1F)SC	


key: InChI
value:
  InChI=1S/C38H28F3N3O4S5/c1-13-11-46-29-15(3)21-24(40)32(47-30(21)14(2)20(13)29)17-9-18-28(44(17)4)37(51-8)36(53-18)22-25(41)35(50-7)23(27-26(22)42-10-19(43-27)49-6)33-34(45-5)38-31(48-33)16(39)12-52-38/h9-12H,1-8H3


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(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)F	


key: InChI
value:
  InChI=1S/C44H31F2NO5S7Se/c1-16-28-31(24-13-20(45)17(2)58-24)43-32(26(54-7)15-57-43)30(23-9-10-27(55-8)59-23)37(28)47(4)36(16)40-21(46)12-22(51-40)41-33-34(42(52-41)25-11-19(53-6)14-56-25)38(48)29-18(3)60-44(50-5)35(29)39(33)49/h9-15H,1-8H3


key: CAN_SMILES
value:
  CSc1csc(c1)c1oc(c2c1C(=O)c1c(C2=O)c([se]c1C)OC)c1oc(c(c1)F)c1c(C)c2c(n1C)c(c1ccc(s1)SC)c1c(c2c2cc(c(s2)C)F)scc1SC	


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(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1sc2c(c1SC)n(c(c2)c1n(C)c2c(c1C)c(c1sc(c(c1)F)C)c1c(c2c2ccc(s2)SC)c(SC)cs1)C)F)SC)c1oc2c(c1OC)scc2F	


key: InChI
value:
  InChI=1S/C48H37F3N4O2S10/c1-18-29-31(24-13-20(49)19(2)65-24)44-32(26(58-6)17-64-44)30(23-11-12-28(60-8)66-23)40(29)55(4)38(18)22-14-25-39(54(22)3)47(62-10)46(67-25)33-35(51)45(61-9)34(37-36(33)52-15-27(53-37)59-7)42-43(56-5)48-41(57-42)21(50)16-63-48/h11-17H,1-10H3


key: InChI
value:
  InChI=1S/C29H27FN4O4S/c1-14-12-17(25-26(36-7)15(2)13-33(25)4)23-24(32-34(5)31-23)21(14)27-16(3)22(30)29(38-27)20-9-8-19(39-20)28-18(35-6)10-11-37-28/h8-13H,1-7H3


key: InChI
value:
  InChI=1S/C33H31FN4O2S5/c1-14-10-19(45-16(14)3)24-25-27(34)30(26-28-17(35-40-36-28)11-20(41-6)32(26)43-8)38(5)29(25)23(22-15(2)13-39-31(22)24)18-12-21(42-7)33(44-9)37(18)4/h10-13H,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(c2c(c(co2)OC)n1C)OC)SC)C	


key: InChI
value:
  InChI=1S/C49H42FN3O6S6/c1-21-14-24(16-27(50)41(21)56-7)35-36(25-15-22(2)46(61-10)33(17-25)60-9)51-37-26(31-19-32-30(64-31)12-13-63-32)18-28(54-5)34(38(37)52-35)47-23(3)42-49(65-47)48(62-11)45(59-42)40-43(57-8)44-39(53(40)4)29(55-6)20-58-44/h12-20H,1-11H3


key: CAN_SMILES
value:
  COc1cc(c2cc3c(s2)ccs3)c2c(c1c1sc3c(c1C)oc(c3SC)c1n(C)c3c(c1OC)occ3OC)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)c1ccc(c2cc(co2)SC)s1)SC)C	


key: InChI
value:
  InChI=1S/C49H39FN2O4S8/c1-22-14-25(16-29(50)43(22)54-5)39-40(26-15-23(2)46(59-8)37(17-26)58-7)51-41-28(35-20-36-33(63-35)12-13-61-36)19-31(53-4)38(42(41)52-39)47-24(3)44-49(64-47)48(60-9)45(56-44)34-11-10-32(62-34)30-18-27(57-6)21-55-30/h10-21H,1-9H3


key: CAN_SMILES
value:
  CSc1coc(c1)c1ccc(s1)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/C32H29FN4O2S4/c1-14-11-20(42-16(14)3)25-26-27(33)30(24-19(38-6)10-9-17-28(24)35-43-34-17)37(5)29(26)23(22-15(2)13-39-31(22)25)18-12-21(40-7)32(41-8)36(18)4/h9-13H,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)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1)F	


key: InChI
value:
  InChI=1S/C48H31F3O5S4Se2/c1-20-7-22(10-26(8-20)54-3)38-30-16-35(60-45(30)39(37-21(2)18-59-46(37)38)23-9-24(49)12-27(11-23)57-5)44-31(51)17-33(56-44)47-40-41(48(62-47)36-13-25(50)19-61-36)42(52)28-14-32(55-4)34(58-6)15-29(28)43(40)53/h7-19H,1-6H3


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)c1oc(cc1F)c1[se]c(c2c1C(=O)c1cc(SC)c(cc1C2=O)OC)c1[se]cc(c1)F	


key: InChI
value:
  InChI=1S/C32H27F3N4O5/c1-12-9-16(25-26(40-7)13(2)10-38(25)5)23-24(37-39(6)36-23)17(12)27-15(4)20(33)31(43-27)32-22(35)19-21(34)28-18(14(3)11-42-28)29(41-8)30(19)44-32/h9-11H,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)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)c(co3)OC)c2cc(c(c(c2)F)C)F)c1SC)OC	


key: InChI
value:
  InChI=1S/C50H35F3O7SSe3/c1-20-12-24(13-21(2)22(20)3)36-38-33(58-7)19-59-44(38)37(25-14-28(51)23(4)29(52)15-25)41-45(36)60-46(47(41)61-8)48-32(57-6)18-35(63-48)50-40-39(49(64-50)34-10-9-11-62-34)42(54)26-16-30(53)31(56-5)17-27(26)43(40)55/h9-19H,1-8H3


key: CAN_SMILES
value:
  COc1cc([se]c1c1oc2c(c1SC)c(c1cc(F)c(c(c1)F)C)c1c(c2c2cc(C)c(c(c2)C)C)c(OC)co1)c1[se]c(c2c1C(=O)c1cc(OC)c(cc1C2=O)F)c1ccc[se]1	


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(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F)F	


key: InChI
value:
  InChI=1S/C47H35F3N2O5S4Se2/c1-18-10-29(61-20(18)3)34-35-38(50)40(52(5)39(35)33(32-19(2)16-56-44(32)34)25-15-30(59-8)47(60-9)51(25)4)43-24(49)14-27(57-43)45-36-37(46(63-45)31-11-21(48)17-62-31)41(53)22-12-26(55-6)28(58-7)13-23(22)42(36)54/h10-17H,1-9H3


key: CAN_SMILES
value:
  CSc1cc2C(=O)c3c([se]c(c3C(=O)c2cc1OC)c1[se]cc(c1)F)c1oc(c(c1)F)c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)occ1C	


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)c1sc2c(c(c3c(c2c2ccc(s2)F)c(c(s3)c2c(c(c(c3c(c(c(c4c3nc(c(n4)c3cc(cc(c3)OC)SC)c3cc(c(c(c3)C)F)C)c3ccc(o3)c3sc4c(c(c5c(c4c4ccc(s4)F)c(cs5)SC)c4cc(c(s4)OC)C)c3)SC)SC)n2C)SC)OC)SC)c2cc(c(s2)OC)C)c1	


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3cc4c(s3)c(c3ccc(s3)F)c3c(c4c4cc(c(s4)OC)C)scc3SC)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1c(SC)c(c(n1C)c1sc2c(c1SC)c(c1ccc(s1)F)c1c(c2c2cc(c(s2)OC)C)cc(s1)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/C116H96F4N6O8S18/c1-49-33-55(34-50(2)89(49)119)91-93(57-39-59(127-9)43-61(41-57)135-15)121-95-81(108(139-19)111(142-22)87(97(95)123-91)99-105(138-18)69(129-11)47-125(99)7)67-27-26-66(134-67)73-46-64-80(75-38-54(6)116(132-14)151-75)107-86(84(104(64)149-73)71-30-32-78(118)147-71)110(141-21)114(152-107)101-102(130-12)113(144-24)100(126(101)8)88-98-96(122-94(58-40-60(128-10)44-62(42-58)136-16)92(124-98)56-35-51(3)90(120)52(4)36-56)82(109(140-20)112(88)143-23)68-28-25-65(133-68)72-45-63-79(74-37-53(5)115(131-13)150-74)106-85(76(137-17)48-145-106)83(103(63)148-72)70-29-31-77(117)146-70/h25-48H,1-24H3


key: InChI
value:
  InChI=1S/C22H17F2N3S3/c1-10-8-25-18-14(26-10)6-5-12(23)16(18)19-21(28-3)17-15(27(19)2)7-11-13(24)9-30-20(11)22(17)29-4/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C34H29F2N3O2S2/c1-18-13-20(7-9-23(18)35)32-33(21-8-10-26(40-4)19(2)14-21)38-34-24(37-32)16-27(41-5)31(36)30(34)29-12-11-28(43-29)25-15-22(42-6)17-39(25)3/h7-17H,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)c1sc2c(c(c3c(c2c2cc(c(cc2)OC)C)ccn3C)c2cc(c(c(c2)F)OC)F)c1SC)F	


key: CAN_SMILES
value:
  COc1cc(cc(c1C)OC)c1nc2c(c3sc4c(c3)n(c(c4F)c3sc4c(c3SC)c(c3cc(F)c(c(c3)F)OC)c3c(c4c4ccc(c(c4)C)OC)ccn3C)C)c(OC)c(c(c2nc1c1cc(F)c(c(c1)F)C)c1sc2c(c1OC)scc2C)OC	


key: InChI
value:
  InChI=1S/C68H55F5N4O7S5/c1-28-19-32(15-16-42(28)78-7)46-36-17-18-76(5)56(36)47(33-20-39(71)58(81-10)40(72)21-33)49-64(46)89-67(66(49)85-14)57-51(73)63-41(77(57)6)26-45(87-63)48-54-55(50(60(83-12)59(48)82-11)65-61(84-13)68-62(88-65)29(2)27-86-68)75-52(34-22-37(69)30(3)38(70)23-34)53(74-54)35-24-43(79-8)31(4)44(25-35)80-9/h15-27H,1-14H3


key: InChI
value:
  InChI=1S/C18H13FN2OS2/c1-10-8-20-18-13(21-10)4-3-12(19)17(18)16-6-5-15(24-16)14-7-11(23-2)9-22-14/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C20H18N2O3S3/c1-23-13-6-5-12-18(22-20(27-4)19(21-12)24-2)17(13)16-8-7-15(28-16)14-9-11(26-3)10-25-14/h5-10H,1-4H3


key: InChI
value:
  InChI=1S/C19H16N2O3SSeSi/c1-22-10-5-4-9-15(21-19(25-3)18(20-9)23-2)14(10)11-8-13-17(26-11)16-12(27-13)6-7-24-16/h4-8H,27H2,1-3H3


key: InChI
value:
  InChI=1S/C17H12F2N2O2S3/c1-22-9-5-4-8-12(21-17(24-3)16(20-8)23-2)10(9)14-11(19)15-13(26-14)7(18)6-25-15/h4-6H,1-3H3


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)C)n1C)OC)SC)C	


key: InChI
value:
  InChI=1S/C49H42FN3O4S7/c1-21-14-25(16-28(50)41(21)55-7)35-36(26-15-22(2)45(59-10)33(17-26)58-9)51-37-27(31-19-32-30(63-31)12-13-61-32)18-29(54-6)34(38(37)52-35)46-24(4)42-49(64-46)48(60-11)44(57-42)40-43(56-8)47-39(53(40)5)23(3)20-62-47/h12-20H,1-11H3


key: CAN_SMILES
value:
  COc1c(C)cc(cc1F)c1nc2c(nc1c1cc(C)c(c(c1)SC)SC)c(cc(c2c1sc2c(c1C)oc(c2SC)c1c(OC)c2c(n1C)c(cs2)C)OC)c1sc2c(c1)scc2	


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(c2c2cc(c(cc2)OC)C)ccn3C)c2cc(c(c(c2)F)OC)F)c1SC)SC)OC	


key: CAN_SMILES
value:
  COc1c(F)cc(cc1F)c1nc2c(c(OC)c(c(c2nc1c1cc(C)c(c(c1)SC)OC)c1n(C)c2c(c1OC)scc2F)SC)c1sc2c(c1OC)n(c(c2SC)c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)ccn1C)C	


key: Name
value:
  A8-CH3_OCH3_SCH3_F_OCH3_F_F_OCH3_SCH3_OCH3_SCH3_OCH3-NCH3_S_S_NCH3-D10-H_OCH3_CH3_SCH3_F_OCH3_F_H-S_NCH3-p1


key: InChI
value:
  InChI=1S/C70H60F5N5O7S7/c1-29-21-31(17-18-41(29)81-6)43-35-19-20-78(3)52(35)44(32-23-36(71)58(83-8)37(72)24-32)45-63(43)93-70(66(45)90-15)56-68(91-16)69-55(80(56)5)62(87-12)65(94-69)47-51-50(46(64(89-14)60(47)85-10)54-61(86-11)67-53(79(54)4)40(75)28-92-67)76-48(33-22-30(2)57(82-7)42(27-33)88-13)49(77-51)34-25-38(73)59(84-9)39(74)26-34/h17-28H,1-16H3


key: InChI
value:
  InChI=1S/C33H27F2N3O4S4/c1-14-22(43-5)13-20(41-14)23-16-8-9-46-30(16)24(19-12-21(39-3)31(35)38(19)2)25-28(23)42-27(29(25)40-4)17-10-15(34)11-18-26(17)37-33(45-7)32(36-18)44-6/h8-13H,1-7H3


key: InChI
value:
  InChI=1S/C19H16FN3O2/c1-11-9-21-19-14(22-11)5-4-13(20)18(19)17-7-6-16(25-17)15-8-12(24-3)10-23(15)2/h4-10H,1-3H3


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)c1sc2c(c(c3c(c2OC)c(c(n3C)c2c(c3c(c(c(c4c(c(c(c5c4nc(c(n5)c4cc(cc(c4)C)C)c4ccc(c(c4)OC)C)c4cc5c(s4)c(c(n5C)c4sc5c(c(c6c(c5OC)c(cn6C)C)OC)c4C)F)SC)C)n3C)F)s2)SC)C)OC)c1C)F	


key: CAN_SMILES
value:
  COc1cc(ccc1C)c1nc2c(nc1c1cc(C)cc(c1)C)c(c1cc3c(s1)c(c(n3C)c1sc3c(c1C)c(OC)c1c(c3OC)c(C)cn1C)F)c(c(c2c1n(C)c2c(c1F)sc(c2SC)c1n(C)c2c(c1C)c(OC)c1c(c2OC)c(C)c(s1)c1n(C)c2c(c1F)sc(c2)c1c(SC)c(C)c(c2c1nc(c1cc(C)cc(c1)C)c(n2)c1ccc(c(c1)OC)C)c1n(C)c2c(c1F)scc2SC)C)SC	


key: InChI
value:
  InChI=1S/C112H100F4N10O6S10/c1-45-33-46(2)36-59(35-45)82-80(57-31-29-49(5)63(39-57)127-19)117-84-69(90-76(113)109-89(125(90)17)67(133-25)44-137-109)53(9)101(134-26)74(86(84)119-82)65-42-62-106(138-65)79(116)95(123(62)15)104-56(12)73-98(130-22)93-71(100(132-24)108(73)141-104)52(8)88(124(93)16)112-111(136-28)96-110(142-112)77(114)91(126(96)18)70-54(10)102(135-27)75(87-85(70)118-81(58-32-30-50(6)64(40-58)128-20)83(120-87)60-37-47(3)34-48(4)38-60)66-41-61-105(139-66)78(115)94(122(61)14)103-55(11)72-97(129-21)92-68(51(7)43-121(92)13)99(131-23)107(72)140-103/h29-44H,1-28H3


key: InChI
value:
  InChI=1S/C17H15N3O3S/c1-20-9-10(21-2)8-12(20)13-6-7-15(23-13)16-14(22-3)5-4-11-17(16)19-24-18-11/h4-9H,1-3H3


key: InChI
value:
  InChI=1S/C34H30FN3O2S6/c1-15-24-27(21-13-17(35)16(2)45-21)32-28(22(41-6)14-44-32)26(20-11-12-23(42-7)46-20)31(24)38(3)30(15)25-19(39-4)10-9-18-29(25)37-34(43-8)33(36-18)40-5/h9-14H,1-8H3


key: InChI
value:
  InChI=1S/C21H21FN4OS2/c1-25-11-13(27-3)10-18(25)17-7-6-16(26(17)2)14-8-12(22)9-15-19(14)24-21(29-5)20(23-15)28-4/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C27H21F2N3O5S3/c1-32-30-19-12(26-27(38-5)14(29)11-39-26)10-13(28)18(20(19)31-32)23-25(35-4)24(34-3)22(37-23)17-7-6-16(40-17)21-15(33-2)8-9-36-21/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C28H24F2N4O4S2/c1-13-10-18(17-8-7-9-33(17)2)37-22(13)26-25(36-5)24(35-4)23(38-26)19-15(29)11-14(20-21(19)32-34(3)31-20)27-28(39-6)16(30)12-40-27/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C28H24FN5O3S/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/h7-11,30H,1-6H3


key: InChI
value:
  InChI=1S/C26H18F2N4O4S2Se/c1-32-30-17-10(24-25(37-4)12(28)9-38-24)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)5-6-39-26/h5-9,29H,1-4H3


key: InChI
value:
  InChI=1S/C19H15FN2OS4/c1-24-11-8-14(23-9-11)16-5-4-15(27-16)12-6-10(20)7-13-17(12)22-19(26-3)18(21-13)25-2/h4-9H,1-3H3


key: InChI
value:
  InChI=1S/C23H19F2N3OS4/c1-28-13-6-10-11(24)9-33-21(10)23(32-5)16(13)22(31-4)20(28)17-18(25)14(29-2)7-12-19(17)26-8-15(27-12)30-3/h6-9H,1-5H3


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(c(co2)OC)n1C)OC)F	


key: InChI
value:
  InChI=1S/C50H45F2N5O4S4/c1-22-15-23(2)17-27(16-22)38-37(26-14-13-24(3)29(18-26)58-8)53-39-33(43-35(51)50-42(57(43)7)32(62-11)21-64-50)25(4)48(63-12)34(40(39)54-38)31-19-28-49(65-31)36(52)44(55(28)5)45-46(60-10)47-41(56(45)6)30(59-9)20-61-47/h13-21H,1-12H3


key: CAN_SMILES
value:
  COc1cc(ccc1C)c1nc2c(nc1c1cc(C)cc(c1)C)c(c1cc3c(s1)c(c(n3C)c1n(C)c3c(c1OC)occ3OC)F)c(c(c2c1n(C)c2c(c1F)scc2SC)C)SC	


key: InChI
value:
  InChI=1S/C29H26F2N4OS5/c1-13-10-19(24-18(37-5)8-9-34(24)3)40-25(13)29-27(38-6)14(2)26(41-29)20-16(30)11-15(21-22(20)33-36-32-21)23-28(39-7)17(31)12-35(23)4/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C31H24F3N3O3S3/c1-11-10-38-25-13(3)19-21(34)27(39-26(19)12(2)18(11)25)31-29(41-6)14(4)28(43-31)20-16(32)8-15(22-23(20)36-40-35-22)24-30(42-7)17(33)9-37(24)5/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C25H24FN3O2S3/c1-11-10-29(3)19-16(11)21(31-5)23-17(20(19)30-4)12(2)22(34-23)14-8-13(26)9-15-18(14)28-25(33-7)24(27-15)32-6/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C27H24F2N4O4S3/c1-11-24(40-27(25(11)38-6)21-22(35-5)23-20(33(21)3)15(34-4)10-36-23)16-13(28)8-12(17-18(16)31-37-30-17)19-26(39-7)14(29)9-32(19)2/h8-10H,1-7H3


key: SMILES
value:
  c1(c(cc(c2nonc12)c1c(c(cn1C)F)SC)F)c1c(c(c(s1)c1sc2c(c(c3c(c2c2ccc(s2)F)c(cs3)SC)c2cc(c(s2)OC)C)c1)SC)C	


key: InChI
value:
  InChI=1S/C39H28F3N3O2S8/c1-15-10-22(54-39(15)46-4)26-17-12-23(53-35(17)28(21-8-9-25(42)52-21)29-24(48-5)14-51-38(26)29)37-34(49-6)16(2)33(55-37)27-19(40)11-18(30-31(27)44-47-43-30)32-36(50-7)20(41)13-45(32)3/h8-14H,1-7H3


key: CAN_SMILES
value:
  CSc1c(sc(c1C)c1c(F)cc(c2c1non2)c1n(C)cc(c1SC)F)c1sc2c(c1)c(c1sc(c(c1)C)OC)c1c(c2c2ccc(s2)F)c(SC)cs1	


key: InChI
value:
  InChI=1S/C20H18N2O2S4/c1-23-12-8-7-11-17(22-20(26-4)19(21-11)24-2)16(12)14-10-15(25-3)18(28-14)13-6-5-9-27-13/h5-10H,1-4H3


key: InChI
value:
  InChI=1S/C21H19N3O4S2/c1-24-11(8-13-17(24)19-18(28-13)14(29-4)9-27-19)15-12(25-2)7-6-10-16(15)23-21(30-5)20(22-10)26-3/h6-9H,1-5H3


key: InChI
value:
  InChI=1S/C19H19N3O4S/c1-22-11-8-9-26-16(11)17(24-3)15(22)13-12(23-2)7-6-10-14(13)21-19(27-5)18(20-10)25-4/h6-9H,1-5H3


key: InChI
value:
  InChI=1S/C38H33F2N3O4S3/c1-18-15-19(9-11-25(18)44-3)27-21-13-14-43(2)32(21)28(20-16-22(39)33(46-5)23(40)17-20)30-34(27)50-36(35(30)48-7)29-26(45-4)12-10-24-31(29)42-38(49-8)37(41-24)47-6/h9-17H,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(c2c2cc(c(cc2)OC)C)ccn3C)c2cc(c(c(c2)F)OC)F)c1SC)SC)C	


key: InChI
value:
  InChI=1S/C67H54F3N3O5S8/c1-29-20-33(14-15-42(29)74-6)48-37-16-18-73(5)56(37)49(34-23-40(69)59(77-9)41(70)24-34)51-63(48)86-67(64(51)81-12)60-65(82-13)66-58(78-60)32(4)62(85-66)50-43(75-7)27-38(45-28-46-44(84-45)17-19-83-46)54-55(50)72-52(35-21-30(2)57(76-8)39(68)25-35)53(71-54)36-22-31(3)61(80-11)47(26-36)79-10/h14-28H,1-13H3


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)c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)ccn1C	


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)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)c(co3)OC)c2cc(c(c(c2)F)C)F)c1SC)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)c1oc2c(c1SC)c(c1cc(F)c(c(c1)F)C)c1c(c2c2cc(C)c(c(c2)C)C)c(OC)co1)C)OC)SC)c1c(OC)c2c(n1C)c(cs2)F	


key: Name
value:
  A8-CH3_OCH3_SCH3_F_OCH3_F_F_OCH3_SCH3_OCH3_SCH3_OCH3-NCH3_S_S_NCH3-D10-CH3_CH3_CH3_SCH3_F_CH3_F_OCH3-O_O-p1


key: InChI
value:
  InChI=1S/C71H61F5N4O8S6/c1-28-18-33(19-29(2)31(28)4)44-46-42(81-8)26-87-60(46)45(34-21-37(72)32(5)38(73)22-34)47-61(44)88-65(66(47)90-15)57-70(92-17)71-56(80(57)7)64(86-13)68(94-71)49-53-52(48(67(91-16)62(49)84-11)55-63(85-12)69-54(79(55)6)41(76)27-93-69)77-50(35-20-30(3)58(82-9)43(25-35)89-14)51(78-53)36-23-39(74)59(83-10)40(75)24-36/h18-27H,1-17H3


key: InChI
value:
  InChI=1S/C30H18Ge2N4O4S4/c1-37-17-4-3-16-25(35-43-33-16)22(17)19-9-14-28(40-19)30-15(32-14)10-21(42-30)11-7-18(38-2)23(26-24(11)34-44-36-26)20-8-13-27(39-20)29-12(31-13)5-6-41-29/h3-10H,31-32H2,1-2H3


key: InChI
value:
  InChI=1S/C30H24F2N4O4S2/c1-13-21(41-6)12-19(39-13)22-15-7-8-42-29(15)23(18-11-20(37-4)30(32)35(18)2)24-27(22)40-26(28(24)38-5)16-9-14(31)10-17-25(16)34-36(3)33-17/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C34H28F3N3O2S2/c1-17-13-19(7-9-21(17)35)30-31(20-8-10-24(41-4)18(2)14-20)39-32-23(38-30)15-25(42-5)29(37)28(32)26-16-27(43-6)34(44-26)33-22(36)11-12-40(33)3/h7-16H,1-6H3


key: InChI
value:
  InChI=1S/C35H32F2N4O3S2/c1-40-18-22(43-4)16-26(40)24-11-12-25(41(24)2)30-32(37)29(46-7)17-23-35(30)39-34(20-14-27(44-5)31(36)28(15-20)45-6)33(38-23)19-9-8-10-21(13-19)42-3/h8-18H,1-7H3


key: InChI
value:
  InChI=1S/C34H27F2N3O4S3/c1-39-20(14-22-32(39)34-33(43-22)25(46-6)15-42-34)26-28(36)24(45-5)13-19-31(26)38-30(17-11-21(41-3)27(35)23(12-17)44-4)29(37-19)16-8-7-9-18(10-16)40-2/h7-15H,1-6H3


key: InChI
value:
  InChI=1S/C37H34N4O4S3/c1-17-13-22(24-11-10-12-47-24)45-34(17)32-20(4)37-21(40(32)5)14-25(48-37)28-29-30(39-26(46-9)15-38-29)27(18(2)35(28)43-8)31-19(3)36-33(41(31)6)23(42-7)16-44-36/h10-16H,1-9H3


key: InChI
value:
  InChI=1S/C37H34N4O4S4/c1-17-28(33-18(2)36-34(41(33)5)23(42-6)16-45-36)31-30(38-14-27(39-31)47-9)29(35(17)43-7)26-13-21-37(49-26)19(3)32(40(21)4)25-11-10-24(48-25)22-12-20(46-8)15-44-22/h10-16H,1-9H3


key: InChI
value:
  InChI=1S/C32H21FO6S3/c1-14-8-17-18(11-21(14)36-3)28(35)25-26(27(17)34)32(42-31(25)22-10-16(40-4)13-38-22)23-12-19(33)29(39-23)30-15(2)9-24(41-30)20-6-5-7-37-20/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C19H15FN2O2S2/c1-10-7-12(14-5-4-6-26-14)24-19(10)16-17(20)13(23-2)8-11-18(16)21-9-15(22-11)25-3/h4-9H,1-3H3


key: InChI
value:
  InChI=1S/C33H26F2N2O2S4/c1-17-13-23(39-31(17)33-24(40-3)11-12-43-33)27-21(35)9-10-22-30(27)37-28(18-7-6-8-20(34)14-18)29(36-22)19-15-25(41-4)32(38-2)26(16-19)42-5/h6-16H,1-5H3


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


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


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


key: InChI
value:
  InChI=1S/C26H18F3N3O4S2/c1-11-8-15(14-6-5-7-32(14)2)34-22(11)16-9-12(27)23(35-16)17-19(29)25(37-4)18(21-20(17)30-36-31-21)26-24(33-3)13(28)10-38-26/h5-10H,1-4H3


key: InChI
value:
  InChI=1S/C24H13F3GeN2O4S3/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/h3-7H,28H2,1-2H3


key: InChI
value:
  InChI=1S/C33H28F2N4OS/c1-19-29(41-5)17-25-33(30(19)27-14-13-26(39(27)3)28-16-22(40-4)18-38(28)2)37-31(20-9-7-6-8-10-20)32(36-25)21-11-12-23(34)24(35)15-21/h6-18H,1-5H3


key: InChI
value:
  InChI=1S/C34H31F2N3O3S4/c1-16-15-46-34-29(16)39(2)30(32(34)42-5)25-28-21(14-24(44-7)31(25)41-4)37-27(18-11-19(35)33(45-8)20(36)12-18)26(38-28)17-9-10-22(40-3)23(13-17)43-6/h9-15H,1-8H3


key: InChI
value:
  InChI=1S/C34H25F3N2O4S5/c1-40-20-8-7-14(11-21(20)44-3)24-25(15-9-16(35)31(46-5)17(36)10-15)38-19-12-22(45-4)28(41-2)23(26(19)39-24)32-34(47-6)30-33(48-32)29-27(43-30)18(37)13-42-29/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C25H15F3N2O3S5/c1-31-22-11(27)9-37-25(22)17-20-19(29-33-30-20)16(18(28)24(17)35-3)21-10(26)7-12(32-21)14-8-15(34-2)23(38-14)13-5-4-6-36-13/h4-9H,1-3H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)ccs3)c1cc(c(o1)F)OC	


key: InChI
value:
  InChI=1S/C45H34F4N4O3S4/c1-52-28(18-25-36(30-20-31(54-3)45(49)56-30)43-24(13-14-60-43)35(41(25)52)29-19-34(59-7)44(48)53(29)2)37-26(47)11-12-27-40(37)51-38(21-9-8-10-23(46)15-21)39(50-27)22-16-32(57-5)42(55-4)33(17-22)58-6/h8-20H,1-7H3


key: CAN_SMILES
value:
  CSc1cc(cc(c1OC)SC)c1nc2ccc(c(c2nc1c1cccc(c1)F)c1cc2c(n1C)c(c1cc(c(n1C)F)SC)c1c(c2c2cc(c(o2)F)OC)scc1)F	


key: InChI
value:
  InChI=1S/C31H25F2N3O3S/c1-16-23(40-5)14-21-27(24(16)29-30(38-4)31-28(36(29)2)22(37-3)15-39-31)35-25(17-9-7-6-8-10-17)26(34-21)18-11-12-19(32)20(33)13-18/h6-15H,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)c1oc2c3sccc3[nH]c2c1	


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)c1n(C)cc(c1SC)OC)SC	


key: InChI
value:
  InChI=1S/C45H39FN4O4S5/c1-21-14-23(15-22(2)35(21)46)36-37(24-16-25(51-4)18-26(17-24)55-6)48-38-33(30-11-10-29(53-30)31-19-28-41(54-31)42-27(47-28)12-13-59-42)44(57-8)45(58-9)34(39(38)49-36)40-43(56-7)32(52-5)20-50(40)3/h10-20,47H,1-9H3


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)c1[se]c2c3[se]ccc3[nH]c2c1)SC)C	


key: InChI
value:
  InChI=1S/C47H43FN4O5S3Se2/c1-21-16-24(18-30(58-9)35(21)48)36-37(25-17-29(54-6)43(56-8)31(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)32-20-27-47(62-32)46-26(49-27)13-15-61-46/h12-20,49H,1-11H3


key: CAN_SMILES
value:
  COc1c(C)c(c2occc2OC)c2c(c1c1n(C)c(c(c1C)SC)c1cc3c([se]1)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/C33H29F2N3O2S2/c1-16-12-19(8-10-21(16)34)27-28(20-9-11-23(39-5)17(2)13-20)37-29-22(36-27)14-24(40-6)26(35)25(29)32-33(41-7)30-31(42-32)18(3)15-38(30)4/h8-15H,1-7H3


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


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(c2cccs2)s1)SC)C	


key: InChI
value:
  InChI=1S/C44H37F2N3O3S5/c1-22-17-24(13-14-26(22)45)36-37(25-19-27(46)40(51-5)29(20-25)50-4)48-39-35(44(54-8)41(52-6)34(38(39)47-36)28-11-9-15-49(28)3)31-18-23(2)42(56-31)33-21-32(53-7)43(57-33)30-12-10-16-55-30/h9-21H,1-8H3


key: CAN_SMILES
value:
  CSc1c(c2sc(c(c2)C)c2sc(c(c2)SC)c2cccs2)c2nc(c3cc(F)c(c(c3)OC)OC)c(nc2c(c1OC)c1cccn1C)c1ccc(c(c1)C)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)c1c(cc(c2ccco2)s1)C)C	


key: InChI
value:
  InChI=1S/C44H37F2N3O4S3/c1-22-17-25(13-14-27(22)45)36-37(26-20-28(46)40(51-6)31(21-26)50-5)48-39-35(44(54-8)41(52-7)34(38(39)47-36)29-11-9-15-49(29)4)33-19-24(3)43(56-33)42-23(2)18-32(55-42)30-12-10-16-53-30/h9-21H,1-8H3


key: InChI
value:
  InChI=1S/C22H15F3N2O4S/c1-8-7-30-19-12(8)21(29-3)22-13(16(19)24)17(25)20(31-22)14-15(23)10(28-2)5-9-18(14)26-6-11(27-9)32-4/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C19H18FN3O2S2/c1-9-8-27-19-16(9)23(2)17(18(19)25-4)13-14(20)11(24-3)6-10-15(13)21-7-12(22-10)26-5/h6-8H,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)c1oc2c(c(c3c(c2OC)c(co3)C)F)c1F	


key: InChI
value:
  InChI=1S/C49H42F3N3O6S4/c1-21-14-24(15-22(2)35(21)50)38-39(25-16-26(56-5)18-27(17-25)62-8)53-40-32(48(64-10)49(65-11)34(41(40)54-38)42-47(63-9)30(57-6)19-55(42)4)28-12-13-29(60-28)43-36(51)33-37(52)44-31(23(3)20-59-44)45(58-7)46(33)61-43/h12-20H,1-11H3


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3oc4c(c3F)c(F)c3c(c4OC)c(C)co3)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


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)c1[se]c2c3occc3[SiH2]c2c1)C)C	


key: InChI
value:
  InChI=1S/C45H40F2N4O3S2SeSi/c1-21-14-24(17-32(52-6)42(21)53-7)36-37(25-15-29(46)44(56-9)30(47)16-25)48-38-27(31-18-26(55-8)20-50(31)4)10-11-28(39(38)49-36)40-22(2)23(3)41(51(40)5)33-19-35-45(57-33)43-34(58-35)12-13-54-43/h10-20H,58H2,1-9H3


key: CAN_SMILES
value:
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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)c1sc2c(c(c3c(c2c2ccc(s2)F)c(cs3)SC)c2cc(c(s2)OC)C)c1	


key: InChI
value:
  InChI=1S/C58H49F2N3O4S9/c1-26-17-29(18-27(2)47(26)60)48-49(30-20-31(64-5)22-32(21-30)68-8)61-50-43(56(71-11)57(72-12)46(51(50)62-48)52-54(70-10)36(65-6)24-63(52)4)35-14-13-34(67-35)38-23-33-42(39-19-28(3)58(66-7)76-39)55-45(40(69-9)25-73-55)44(53(33)75-38)37-15-16-41(59)74-37/h13-25H,1-12H3


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C31H24F4N4O3S4/c1-11-31(35)37-20-16(29(44-6)30(45-7)17(21(20)36-11)28-25(40-4)12(32)10-46-28)24-19(34)18(33)22(39(24)3)13-8-14-23(38(13)2)27-26(42-14)15(43-5)9-41-27/h8-10H,1-7H3


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


key: InChI
value:
  InChI=1S/C30H20F2GeN2S2Se/c1-15-23(36-2)14-22-28(25(15)24-13-21-29(37-24)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:
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key: InChI
value:
  InChI=1S/C33H26F2N2O3S/c1-17-13-20(8-10-22(17)34)30-31(21-9-11-24(38-4)18(2)14-21)37-32-23(36-30)16-26(39-5)29(35)28(32)33-19(3)15-27(41-33)25-7-6-12-40-25/h6-16H,1-5H3


key: InChI
value:
  InChI=1S/C33H23F3N2O4S4/c1-39-20-7-6-14(10-22(20)43-3)26-27(15-8-16(34)32(45-5)17(35)9-15)37-19-11-24(44-4)30(40-2)25(28(19)38-26)23-12-21-33(46-23)31-29(42-21)18(36)13-41-31/h6-13H,1-5H3


key: InChI
value:
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key: InChI
value:
  InChI=1S/C33H29F2N3O3S3/c1-16-15-44-33-30(16)38(2)31(32(33)41-5)24-26(35)23(43-7)14-20-29(24)37-28(18-12-21(40-4)25(34)22(13-18)42-6)27(36-20)17-9-8-10-19(11-17)39-3/h8-15H,1-7H3


key: InChI
value:
  InChI=1S/C34H27F2N3O4S2/c1-16-15-42-34-32-23(43-33(16)34)14-21(39(32)2)26-28(36)25(45-6)13-20-31(26)38-30(18-11-22(41-4)27(35)24(12-18)44-5)29(37-20)17-8-7-9-19(10-17)40-3/h7-15H,1-6H3


key: InChI
value:
  InChI=1S/C34H27F2N3O4S/c1-16-11-18(7-9-20(16)35)29-30(19-8-10-23(40-4)17(2)12-19)38-31-21(37-29)13-24(41-5)28(36)27(31)22-14-25-32(39(22)3)34-33(43-25)26(44-6)15-42-34/h7-15H,1-6H3


key: InChI
value:
  InChI=1S/C35H31F2N3O2S2/c1-18-14-21(8-10-23(18)36)31-32(22-9-11-25(41-5)19(2)15-22)39-33-24(38-31)17-26(42-6)30(37)29(33)35-20(3)16-28(44-35)34-27(43-7)12-13-40(34)4/h8-17H,1-7H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(cc1)F)F)c1ccccc1)SC)C)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C	


key: InChI
value:
  InChI=1S/C45H34F3N3S6/c1-21-31(52-5)19-29-42(50-40(24-11-9-8-10-12-24)41(49-29)25-13-14-26(46)28(48)17-25)36(21)43-22(2)35-38(32-18-27(47)23(3)56-32)45-39(33(53-6)20-55-45)37(44(35)51(43)4)30-15-16-34(54-7)57-30/h8-20H,1-7H3


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)csc2c(c2c1n(C)c(c2C)c1c(C)c(SC)cc2c1nc(c1ccccc1)c(n2)c1ccc(c(c1)F)F)c1sc(c(c1)F)C	


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(co2)SC)s1)C	


key: InChI
value:
  InChI=1S/C44H37F2N3O4S4/c1-22-16-24(11-12-27(22)45)37-38(25-18-28(46)41(51-5)31(19-25)50-4)48-40-36(44(55-8)42(52-6)35(39(40)47-37)29-10-9-15-49(29)3)34-17-23(2)43(57-34)33-14-13-32(56-33)30-20-26(54-7)21-53-30/h9-21H,1-8H3


key: CAN_SMILES
value:
  CSc1coc(c1)c1ccc(s1)c1sc(cc1C)c1c(SC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)OC)OC)c(n2)c1ccc(c(c1)C)F)c1cccn1C	


key: InChI
value:
  InChI=1S/C34H31F2N3O5S3/c1-39-29-22(41-3)15-44-33(29)32(43-5)30(39)25-28-20(14-24(46-7)31(25)42-4)37-27(17-11-18(35)34(47-8)19(36)12-17)26(38-28)16-9-10-21(40-2)23(13-16)45-6/h9-15H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)F)C)c1c(c(cs1)SC)F)SC)C)c1c(c(c(n1C)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)OC)C	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)csc2c(c2c1n(C)c(c2C)c1c(OC)c(c(n1C)c1c(C)c(SC)c(c2c1nc(C)c(n2)F)c1scc(c1F)SC)C)c1cc(c(s1)C)F	


key: InChI
value:
  InChI=1S/C46H41F3N4OS8/c1-18-29-32(25-15-23(47)22(5)61-25)44-33(26(55-9)16-59-44)31(24-13-14-28(57-11)62-24)40(29)53(7)39(18)41-42(54-8)20(3)38(52(41)6)30-19(2)43(58-12)34(45-35(48)27(56-10)17-60-45)37-36(30)50-21(4)46(49)51-37/h13-17H,1-12H3


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[GeH2]c2c1)C)C	


key: InChI
value:
  InChI=1S/C45H40F2GeN4O3S3/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/h10-20H,48H2,1-9H3


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([GeH2]2)ccs1	


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)c1sc2c(c(c3c(c2c2ccc(s2)F)c(cs3)SC)c2cc(c(s2)OC)C)c1)C)C	


key: InChI
value:
  InChI=1S/C58H49F3N4O3S7/c1-26-17-30(21-39(66-7)54(26)67-8)48-49(31-19-36(59)56(71-12)37(60)20-31)62-50-33(38-22-32(69-10)24-64(38)5)13-14-34(51(50)63-48)52-28(3)29(4)53(65(52)6)42-23-35-45(41-18-27(2)58(68-9)75-41)57-47(43(70-11)25-72-57)46(55(35)74-42)40-15-16-44(61)73-40/h13-25H,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)c1n(C)c(c(c1C)C)c1sc2c(c1)c(c1sc(c(c1)C)OC)c1c(c2c2ccc(s2)F)c(SC)cs1	


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(c2)c(cn3C)F)F)c1F	


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3oc4c(c3F)c(F)c3c(c4)c(F)cn3C)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


key: InChI
value:
  InChI=1S/C48H40F4N4O4S4/c1-21-13-23(14-22(2)36(21)50)39-40(24-15-25(57-5)17-26(16-24)61-7)53-41-34(47(63-9)48(64-10)35(42(41)54-39)44-46(62-8)32(58-6)20-56(44)4)29-11-12-30(59-29)45-38(52)33-31(60-45)18-27-28(49)19-55(3)43(27)37(33)51/h11-20H,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(cc(c2ccco2)s1)C)C)C	


key: InChI
value:
  InChI=1S/C46H42F2N4O3S3/c1-23-16-27(20-36(53-7)44(23)54-8)38-39(28-18-32(47)46(57-10)33(48)19-28)49-40-30(34-21-29(56-9)22-51(34)5)13-14-31(41(40)50-38)42-25(3)26(4)43(52(42)6)45-24(2)17-37(58-45)35-12-11-15-55-35/h11-22H,1-10H3


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)c1sc(cc1C)c1ccco1	


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)c1oc2c(c(c3c(c2)c(cn3C)F)F)c1F)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)c1oc2c(c1F)c(F)c1c(c2)c(F)cn1C)SC	


key: InChI
value:
  InChI=1S/C50H44F4N4O6S3/c1-21-15-24(17-31(65-10)36(21)52)39-40(25-16-30(60-7)47(62-9)32(18-25)66-11)55-41-33(48-28(59-6)13-14-63-48)22(2)46(61-8)35(42(41)56-39)43-23(3)50(67-12)45(58(43)5)49-38(54)34-29(64-49)19-26-27(51)20-57(4)44(26)37(34)53/h13-20H,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)c1cc2c(c3c(c(co3)SC)o2)n1C)SC)C	


key: InChI
value:
  InChI=1S/C49H47FN4O7S4/c1-22-16-25(18-31(62-10)36(22)50)37-38(26-17-30(56-7)45(58-9)32(19-26)63-11)51-39-34(46-28(55-6)14-15-59-46)23(2)44(57-8)35(40(39)52-37)41-24(3)49(65-13)42(54(41)5)27-20-29-43(53(27)4)48-47(61-29)33(64-12)21-60-48/h14-21H,1-13H3


key: CAN_SMILES
value:
  COc1c(C)c(c2occc2OC)c2c(c1c1c(C)c(c(n1C)c1cc3c(n1C)c1c(o3)c(co1)SC)SC)nc(c(n2)c1cc(OC)c(c(c1)SC)OC)c1cc(C)c(c(c1)SC)F	


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(cc(c2c(ccn2C)SC)s1)C)C)C	


key: InChI
value:
  InChI=1S/C48H47F2N5O2S4/c1-24-17-28(21-36(56-8)46(24)57-9)39-40(29-19-33(49)48(60-12)34(50)20-29)51-41-31(35-22-30(58-10)23-54(35)6)13-14-32(42(41)52-39)43-26(3)27(4)44(55(43)7)47-25(2)18-38(61-47)45-37(59-11)15-16-53(45)5/h13-23H,1-12H3


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)c1sc(cc1C)c1c(SC)ccn1C)C)C	


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)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)F	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)csc2c(c2c1n(C)c(c2C)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)c1sc(c(c1)F)C	


key: InChI
value:
  InChI=1S/C64H52F4N4O5S8/c1-25-23-80-64-59(77-12)63(85-60(25)64)48-53-52(69-51(31-19-36(73-8)27(3)37(20-31)74-9)50(70-53)30-17-32(65)26(2)33(66)18-30)47(57(75-10)58(48)76-11)40-22-35-61(84-40)49(68)56(71(35)6)54-28(4)43-45(39-21-34(67)29(5)82-39)62-46(41(78-13)24-81-62)44(55(43)72(54)7)38-15-16-42(79-14)83-38/h15-24H,1-14H3


key: InChI
value:
  InChI=1S/C35H27F2N3O4S7/c1-40-15(16-11-17(41-2)28(43-16)31-18(45-4)8-9-49-31)10-19-26(40)34(48-7)33(51-19)21-23(37)32(47-6)22(25-24(21)38-12-20(39-25)46-5)29-30(42-3)35-27(44-29)14(36)13-50-35/h8-13H,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)c1ccc(c2c(cco2)OC)s1	


key: InChI
value:
  InChI=1S/C46H42FN3O5S5/c1-23-17-25(18-24(2)37(23)47)38-39(26-19-27(51-4)21-28(20-26)56-7)48-40-35(30-12-11-29(55-30)33-13-14-34(60-33)43-31(52-5)15-16-54-43)45(58-9)46(59-10)36(41(40)49-38)42-44(57-8)32(53-6)22-50(42)3/h11-22H,1-10H3


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3ccc(s3)c3occc3OC)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


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(cn2C)C)s1)SC)SC)C	


key: InChI
value:
  InChI=1S/C49H42FN3O3S8/c1-21-14-25(16-28(50)40(21)55-7)35-36(26-15-22(2)43(58-9)33(17-26)57-8)51-37-27(31-19-32-30(62-31)12-13-61-32)18-29(54-6)34(38(37)52-35)45-24(4)41-48(64-45)47(60-11)42(56-41)49-46(59-10)39-44(63-49)23(3)20-53(39)5/h12-20H,1-11H3


key: CAN_SMILES
value:
  COc1c(C)cc(cc1F)c1nc2c(nc1c1cc(C)c(c(c1)SC)SC)c(cc(c2c1sc2c(c1C)oc(c2SC)c1sc2c(c1SC)n(cc2C)C)OC)c1sc2c(c1)scc2	


key: InChI
value:
  InChI=1S/C28H18FNO5S4/c1-11-18-13(10-37-11)22(31)19-20(23(18)32)25(15-7-12(29)9-38-15)35-26(19)16-8-17(36-4)28(39-16)21-27(33-3)24-14(30(21)2)5-6-34-24/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)c1[se]c2c3[se]ccc3[nH]c2c1)SC)OC	


key: InChI
value:
  InChI=1S/C51H42F3N5O5S5Se2/c1-20-14-21(17-28(65-9)40(20)60-4)32-33(22-15-23(52)41(61-5)24(53)16-22)57-35-31(42(62-6)45(66-10)30(34(35)56-32)38-43(63-7)47-36(58(38)2)25(54)19-68-47)46-44(64-8)39-49(69-46)48(67-11)37(59(39)3)29-18-27-51(71-29)50-26(55-27)12-13-70-50/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)c1[se]c2c(c1)[nH]c1c2[se]cc1)C)OC)SC)c1c(OC)c2c(n1C)c(cs2)F	


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(c2n1C)c1cc(c(F)n1C)SC)ccs3)c1cc(c(o1)F)OC	


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3cc4c(n3C)c(c3cc(c(n3C)F)SC)c3c(c4c4cc(c(o4)F)OC)scc3)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


key: InChI
value:
  InChI=1S/C59H52F3N5O5S6/c1-27-18-29(19-28(2)47(27)60)48-49(30-20-31(68-6)22-32(21-30)73-9)63-50-45(56(76-12)57(77-13)46(51(50)64-48)53-55(75-11)41(70-8)26-65(53)3)38-15-14-37(71-38)35-23-34-44(39-25-40(69-7)59(62)72-39)54-33(16-17-78-54)43(52(34)66(35)4)36-24-42(74-10)58(61)67(36)5/h14-26H,1-13H3


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[nH]c2c1)OC)F	


key: InChI
value:
  InChI=1S/C42H30F4N4O3S4Se/c1-50-36(24-16-23-38(53-24)42-22(47-23)13-14-58-42)40(51-2)31(46)37(50)27-30(45)41(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/h7-17,47H,1-6H3


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)[nH]c1c2[se]cc1)OC)F	


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)SC)s4)C)C)SC)C)o3)OC)o2)F)SC)s1)C)C	


key: CAN_SMILES
value:
  COc1c2oc(c(c2oc1c1c(C)c(SC)c(c2c1nsn2)c1oc2c(c1C)n(c(c2C)c1ccc(s1)c1cc(cn1C)SC)C)F)c1c(SC)cc(n1C)c1ccc(s1)c1c(C)c2c(n1C)c(c(o2)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)C	


key: InChI
value:
  InChI=1S/C68H56F2N8O8S8/c1-25-40(59-63(79-11)65-58(84-59)32(69)24-81-65)45-47(73-93-71-45)42(67(25)89-15)54-30(6)52-57(83-54)28(4)50(78(52)10)38-20-18-36(92-38)34-22-39(88-14)53(76(34)8)61-44(70)62-66(86-61)64(80-12)60(85-62)41-26(2)68(90-16)43(48-46(41)72-94-74-48)55-29(5)51-56(82-55)27(3)49(77(51)9)37-19-17-35(91-37)33-21-31(87-13)23-75(33)7/h17-24H,1-16H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(cs2)F)C)F)C)c1c(c2c(cc(s2)c2cc(c(c3ccc(s3)c3c(c4c(c(c(c5c(c(c(c6c5nsn6)c5c(c6c(cc(s6)c6cc(c(c7cccs7)s6)SC)n5C)OC)C)F)o4)C)s3)F)s2)SC)n1C)OC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1ccc(s1)c1sc2c(c1F)oc(c2C)c1c(F)c(C)c(c2c1nsn2)c1c(OC)c2c(n1C)cc(s2)c1cc(c(s1)c1cccs1)SC)c1sc2c(c1)n(c(c2OC)c1c(C)c(F)c(c2c1nsn2)c1oc2c(c1C)scc2F)C	


key: InChI
value:
  InChI=1S/C62H40F4N6O4S12/c1-21-37(44-46(69-87-67-44)39(41(21)64)50-23(3)56-52(75-50)25(63)20-80-56)48-55(74-8)59-27(72(48)6)17-32(83-59)34-19-36(78-10)61(85-34)29-13-14-30(81-29)62-43(66)53-57(86-62)24(4)51(76-53)40-42(65)22(2)38(45-47(40)70-88-68-45)49-54(73-7)58-26(71(49)5)16-31(82-58)33-18-35(77-9)60(84-33)28-12-11-15-79-28/h11-20H,1-10H3


key: SMILES
value:
  c1(c(c(c(c2c1nccn2)c1c(c(co1)SC)SC)F)F)c1c(c(c(n1C)c1cc2c(c3c(c(c(o3)c3c(c(c(c4c(c(c(c5c4nccn5)c4c(c(c(n4C)c4cc5c(c6c(c(co6)F)s5)s4)OC)C)F)F)o3)SC)SC)F)s2)s1)OC)C	


key: CAN_SMILES
value:
  CSc1c(oc(c1SC)c1c(F)c(F)c(c2c1nccn2)c1c(C)c(c(n1C)c1cc2c(s1)c1c(s2)c(co1)F)OC)c1oc2c(c1F)sc1c2sc(c1)c1c(OC)c(c(n1C)c1c(F)c(F)c(c2c1nccn2)c1occ(c1SC)SC)C	


key: InChI
value:
  InChI=1S/C58H38F6N6O6S8/c1-19-40(27-31(60)33(62)29(38-36(27)65-11-13-67-38)46-53(78-8)26(77-7)18-74-46)70(4)43(45(19)72-6)23-16-25-55(82-23)51-56(84-25)35(64)48(76-51)49-58(80-10)57(79-9)47(75-49)30-34(63)32(61)28(37-39(30)68-14-12-66-37)41-20(2)44(71-5)42(69(41)3)22-15-24-54(81-22)50-52(83-24)21(59)17-73-50/h11-18H,1-10H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)OC)SC)OC)c1cc2c(c3c(c(c(o3)c3cc(c(c4c3nc(c(n4)SC)OC)c3cc4c(c5c(c(co5)SC)o4)n3C)OC)SC)o2)n1C	


key: CAN_SMILES
value:
  CSc1c(oc2c1oc1c2n(c(c1)c1c(OC)ccc2c1nc(SC)c(n2)OC)C)c1cc(OC)c(c2c1nc(OC)c(n2)SC)c1cc2c(n1C)c1c(o2)c(co1)SC	


key: InChI
value:
  InChI=1S/C42H36N6O8S4/c1-47-20(15-23-31(47)35-34(54-23)25(57-7)16-53-35)27-22(50-4)13-17(28-30(27)46-42(60-10)40(44-28)52-6)33-38(58-8)37-36(56-33)32-24(55-37)14-19(48(32)2)26-21(49-3)12-11-18-29(26)45-41(59-9)39(43-18)51-5/h11-16H,1-10H3


key: SMILES
value:
  c1(c(cc(c2nonc12)c1c(c(cn1C)F)SC)F)c1c(c(c(s1)c1c(c2c(c(c(o2)c2c(c(c(c3cc(c(c4c3non4)c3c(c(c(s3)c3c(c4c(c(co4)OC)n3C)OC)SC)C)F)n2C)SC)F)OC)n1C)OC)SC)C	


key: CAN_SMILES
value:
  COc1c2c(oc1c1c(F)c(c(n1C)c1cc(F)c(c3c1non3)c1sc(c(c1C)SC)c1c(OC)c3c(n1C)c(co3)OC)SC)c(c(n2C)c1sc(c(c1SC)C)c1c(F)cc(c2c1non2)c1n(C)cc(c1SC)F)OC	


key: InChI
value:
  InChI=1S/C54H46F4N8O8S6/c1-19-48(79-53(49(19)75-11)39-42(69-9)44-36(65(39)5)26(67-7)18-71-44)28-24(56)16-22(31-33(28)62-74-60-31)35-52(78-14)29(58)37(64(35)4)45-41(68-8)38-46(72-45)43(70-10)40(66(38)6)54-50(76-12)20(2)47(80-54)27-23(55)15-21(30-32(27)61-73-59-30)34-51(77-13)25(57)17-63(34)3/h15-18H,1-14H3


key: SMILES
value:
  c1(c(c(cc2c1ncc(n2)SC)OC)F)c1oc2c(c(c3c(c2OC)c(c(o3)c2c(c(c(c3c2nc(cn3)SC)c2oc3c(c(c4c(c3OC)c(co4)C)F)c2F)F)OC)C)F)c1F	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c1oc3c(c1C)c(OC)c1c(c3F)c(F)c(o1)c1c(F)c(OC)cc3c1ncc(n3)SC)c(c(c2c1oc2c(c1F)c(F)c1c(c2OC)c(C)co1)F)OC	


key: InChI
value:
  InChI=1S/C44H28F6N4O8S2/c1-13-12-59-37-19(13)41(57-5)43-21(27(37)46)29(48)40(62-43)24-31(50)36(56-4)25(34-33(24)52-11-18(54-34)64-8)35-14(2)20-38(60-35)28(47)22-30(49)39(61-44(22)42(20)58-6)23-26(45)16(55-3)9-15-32(23)51-10-17(53-15)63-7/h9-12H,1-8H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)SC)C(=O)c1c([se]c(c1C2=O)OC)C)c1cc(c(o1)c1oc2c3sc(cc3[nH]c2c1)c1c(cc(c2c3c(c(o2)c2cc(c(o2)c2oc4c5sccc5[nH]c4c2)F)C(=O)c2c(C3=O)c([se]c2OC)C)s1)SC)F	


key: CAN_SMILES
value:
  CSc1cc(sc1c1cc2c(s1)c1c([nH]2)cc(o1)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(o1)c1c([nH]2)ccs1)F	


key: InChI
value:
  InChI=1S/C58H30F2N2O12S6Se2/c1-17-34-40(57(67-3)81-17)44(65)36-38(42(34)63)52(30-9-19(75-5)16-78-30)73-50(36)26-10-21(60)47(69-26)29-13-24-49(72-29)55-25(62-24)14-33(80-55)56-32(76-6)15-31(79-56)53-39-37(45(66)41-35(43(39)64)18(2)82-58(41)68-4)51(74-53)27-11-20(59)46(70-27)28-12-23-48(71-28)54-22(61-23)7-8-77-54/h7-16,61-62H,1-6H3


key: InChI
value:
  InChI=1S/C32H22N8O2Se2/c1-13-5-6-16-27(37-39(3)35-16)24(13)21-11-19-30(42-21)32-20(34-19)12-23(44-32)15-9-14(2)25(28-26(15)36-40(4)38-28)22-10-18-29(41-22)31-17(33-18)7-8-43-31/h5-12,33-34H,1-4H3


key: InChI
value:
  InChI=1S/C38H28F2N4O2S8/c1-47-18-13-23(45-16-18)27-9-7-26(53-27)20-14-21(40)30(33-32(20)43-37(51-5)38(44-33)52-6)34-29(48-2)15-24(46-34)28-10-8-25(54-28)19-11-17(39)12-22-31(19)42-36(50-4)35(41-22)49-3/h7-16H,1-6H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)OC)SC)OC)c1[se]c2c3oc(cc3[SiH2]c2c1)c1cc(c(c2c1nc(c(n2)SC)OC)c1[se]c2c3occc3[SiH2]c2c1)OC	


key: CAN_SMILES
value:
  COc1cc(c2cc3c(o2)c2c([SiH2]3)cc([se]2)c2c(OC)ccc3c2nc(SC)c(n3)OC)c2c(c1c1cc3c([se]1)c1c([SiH2]3)cco1)nc(c(n2)OC)SC	


key: InChI
value:
  InChI=1S/C38H30N4O6S2Se2Si2/c1-43-17-8-7-16-29(41-37(49-5)35(39-16)45-3)26(17)20-13-25-34(52-20)32-23(54-25)12-18(48-32)15-11-19(44-2)27(30-28(15)40-36(46-4)38(42-30)50-6)21-14-24-33(51-21)31-22(53-24)9-10-47-31/h7-14H,53-54H2,1-6H3


key: SMILES
value:
  c1(c(ccc2c1ncc(n2)C)F)c1c(c2c(c3c(cc2n1C)c(c(s3)c1cc(c(c2c1nc(cn2)C)c1c(c2c(c3c(cc2n1C)c(cs3)F)SC)SC)F)F)SC)SC	


key: CAN_SMILES
value:
  CSc1c2sc(c(c2cc2c1c(SC)c(n2C)c1c(F)ccc2c1ncc(n2)C)F)c1cc(F)c(c2c1nc(C)cn2)c1c(SC)c2c(n1C)cc1c(c2SC)scc1F	


key: InChI
value:
  InChI=1S/C44H32F4N6S6/c1-17-14-49-34-25(51-17)10-9-22(45)28(34)36-42(56-6)31-27(54(36)4)13-20-32(48)38(60-40(20)44(31)58-8)21-11-23(46)29(35-33(21)52-18(2)15-50-35)37-41(55-5)30-26(53(37)3)12-19-24(47)16-59-39(19)43(30)57-7/h9-16H,1-8H3


key: InChI
value:
  InChI=1S/C38H36N6O8S2/c1-43-19-13-14-51-31(19)33(47-5)30(43)25-23(46-4)15-17(26-28(25)42-38(54-10)36(40-26)50-8)22-16-20-32(52-22)34(48-6)29(44(20)2)24-21(45-3)12-11-18-27(24)41-37(53-9)35(39-18)49-7/h11-16H,1-10H3


key: InChI
value:
  InChI=1S/C36H24F2N4O2S4/c1-17-14-39-34-23(41-17)6-5-21(37)31(34)28-10-8-27(48-28)25-13-30(46-4)36(44-25)20-12-22(38)32(35-33(20)42-18(2)15-40-35)29-9-7-26(47-29)24-11-19(45-3)16-43-24/h5-16H,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nccn2)c1c(c(co1)SC)SC)F)F)c1c(c(c(n1C)c1ccc(c2cc(c(o2)c2c(c(c(c3c(c(c(c4c3nccn4)c3c(c(c(n3C)c3ccc(c4cc(co4)SC)s3)OC)C)F)F)o2)SC)SC)SC)s1)OC)C	


key: CAN_SMILES
value:
  CSc1coc(c1)c1ccc(s1)c1c(OC)c(c(n1C)c1c(F)c(F)c(c2c1nccn2)c1oc(c(c1SC)SC)c1oc(cc1SC)c1ccc(s1)c1c(OC)c(c(n1C)c1c(F)c(F)c(c2c1nccn2)c1occ(c1SC)SC)C)C	


key: InChI
value:
  InChI=1S/C60H48F4N6O6S8/c1-25-48(36-40(61)42(63)38(46-44(36)65-17-19-67-46)55-58(80-10)35(79-9)24-74-55)70(4)51(53(25)72-6)33-16-14-31(84-33)29-22-34(78-8)54(75-29)57-60(82-12)59(81-11)56(76-57)39-43(64)41(62)37(45-47(39)68-20-18-66-45)49-26(2)52(71-5)50(69(49)3)32-15-13-30(83-32)28-21-27(77-7)23-73-28/h13-24H,1-12H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)OC)SC)OC)c1c(cc(c2c(cc(s2)c2cc(c(c3c2nc(c(n3)SC)OC)c2c(cc(c3c(ccs3)C)s2)OC)OC)C)s1)OC	


key: InChI
value:
  InChI=1S/C42H38N4O6S6/c1-19-13-14-55-35(19)28-17-25(49-5)38(57-28)31-24(48-4)16-21(32-34(31)46-42(54-10)40(44-32)52-8)27-15-20(2)36(56-27)29-18-26(50-6)37(58-29)30-23(47-3)12-11-22-33(30)45-41(53-9)39(43-22)51-7/h11-18H,1-10H3


key: SMILES
value:
  c1(c(c(cc2c1ncc(n2)SC)OC)F)c1c(c2c(c3c(cc2n1C)c(c(s3)c1c(c(c(c2c1nc(cn2)SC)c1c(c2c(c3c(cc2n1C)c(cs3)F)SC)SC)F)OC)F)SC)SC	


key: CAN_SMILES
value:
  CSc1c2sc(c(c2cc2c1c(SC)c(n2C)c1c(F)c(OC)cc2c1ncc(n2)SC)F)c1c(OC)c(F)c(c2c1nc(SC)cn2)c1c(SC)c2c(n1C)cc1c(c2SC)scc1F	


key: InChI
value:
  InChI=1S/C46H36F4N6O2S8/c1-55-21-11-17-19(47)16-65-40(17)45(63-9)26(21)43(61-7)38(55)29-33(50)39(58-4)30(36-35(29)52-15-25(54-36)60-6)42-31(48)18-12-22-27(46(64-10)41(18)66-42)44(62-8)37(56(22)2)28-32(49)23(57-3)13-20-34(28)51-14-24(53-20)59-5/h11-16H,1-10H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)OC)SC)OC)c1cc(c(c2ccc(s2)c2cc(c(c3c2nc(c(n3)SC)OC)c2cc(c(c3cccs3)s2)SC)OC)s1)SC	


key: InChI
value:
  InChI=1S/C40H34N4O4S8/c1-45-21-12-11-20-33(43-39(51-7)37(41-20)47-3)30(21)26-17-29(50-6)36(56-26)25-14-13-23(54-25)19-16-22(46-2)31(34-32(19)42-38(48-4)40(44-34)52-8)27-18-28(49-5)35(55-27)24-10-9-15-53-24/h9-18H,1-8H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1cc(c(c2c(cc(s2)c2cc(c(c3c2nc(c(n3)c2cc(ccc2)F)c2cc(c(c(c2)SC)OC)SC)c2cc(c(c3c(ccs3)SC)o2)C)F)SC)o1)C	


key: CAN_SMILES
value:
  CSc1cc(sc1c1oc(cc1C)c1c(F)ccc2c1nc(c1cccc(c1)F)c(n2)c1cc(SC)c(c(c1)SC)OC)c1cc(F)c(c2c1nc(c1cc(SC)c(c(c1)SC)OC)c(n2)c1cccc(c1)F)c1oc(c(c1)C)c1sccc1SC	


key: InChI
value:
  InChI=1S/C66H50F4N4O4S8/c1-31-21-44(77-61(31)65-45(79-5)19-20-85-65)53-41(70)29-39(58-60(53)74-55(34-14-12-16-38(68)24-34)57(72-58)36-27-49(82-8)64(76-4)50(28-36)83-9)46-30-51(84-10)66(86-46)62-32(2)22-43(78-62)52-40(69)17-18-42-59(52)73-54(33-13-11-15-37(67)23-33)56(71-42)35-25-47(80-6)63(75-3)48(26-35)81-7/h11-30H,1-10H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(cs2)F)C)F)C)c1c(c2c(cc(s2)c2c(c3c(c(c(s3)c3c(c4c(c(c(c5c(c(c(c6c5nsn6)c5c(c6c(cc(s6)c6c(c7c(c(cs7)C)n6C)OC)n5C)OC)C)F)o4)C)s3)F)C)n2C)OC)n1C)OC	


key: CAN_SMILES
value:
  COc1c(c2sc3c(c2)n(c(c3OC)c2c(C)c(F)c(c3c2nsn3)c2oc3c(c2C)scc3F)C)n(c2c1sc(c2C)c1sc2c(c1F)oc(c2C)c1c(F)c(C)c(c2c1nsn2)c1c(OC)c2c(n1C)cc(s2)c1c(OC)c2c(n1C)c(cs2)C)C	


key: InChI
value:
  InChI=1S/C62H46F4N8O6S8/c1-19-17-81-61-41(19)73(9)43(51(61)75-11)28-15-26-58(83-28)53(77-13)46(71(26)7)31-21(3)35(65)33(40-38(31)68-88-70-40)48-24(6)56-50(80-48)36(66)60(85-56)57-22(4)42-62(86-57)52(76-12)44(74(42)10)29-16-27-59(84-29)54(78-14)45(72(27)8)30-20(2)34(64)32(39-37(30)67-87-69-39)47-23(5)55-49(79-47)25(63)18-82-55/h15-18H,1-14H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)C)c1c(c(co1)F)SC)F)OC)c1c(c(c(s1)c1c(c2c(c(c(n2C)c2c(c(c(c3c(c(c(c4c3nc(c(n4)C)OC)c3c(c(c(s3)c3c(c4c(c(cn4C)C)s3)SC)F)SC)OC)F)o2)SC)F)C)s1)SC)F)SC	


key: CAN_SMILES
value:
  CSc1c(F)c(oc1c1c(F)c(OC)c(c2c1nc(OC)c(n2)C)c1sc(c(c1SC)F)c1sc2c(c1SC)n(cc2C)C)c1c(C)c2c(n1C)c(c(s2)c1sc(c(c1F)SC)c1c(OC)c(F)c(c2c1nc(C)c(n2)OC)c1occ(c1SC)F)SC	


key: InChI
value:
  InChI=1S/C60H50F6N6O6S10/c1-19-17-71(5)38-45(19)85-57(55(38)83-15)53-31(65)51(81-13)49(87-53)27-36-34(70-60(76-10)22(4)68-36)25(29(63)41(27)74-8)43-50(80-12)30(64)44(78-43)37-20(2)46-39(72(37)6)56(84-16)58(86-46)54-32(66)52(82-14)48(88-54)26-35-33(69-59(75-9)21(3)67-35)24(28(62)40(26)73-7)42-47(79-11)23(61)18-77-42/h17-18H,1-16H3


key: InChI
value:
  InChI=1S/C36H32N6O2S6/c1-17-13-26(33-24(45-7)11-12-41(33)3)47-36(17)29-23(44-6)15-19(30-32(29)40-50-38-30)21-16-25(46-8)34(42(21)4)27-14-18(2)35(48-27)28-22(43-5)10-9-20-31(28)39-49-37-20/h9-16H,1-8H3


key: InChI
value:
  InChI=1S/C34H28F2N8O2/c1-17-12-27(24-8-7-11-41(24)3)45-34(17)21-16-22(36)29(32-31(21)39-44(6)40-32)26-10-9-25(42(26)4)28-13-18(2)33(46-28)20-14-19(35)15-23-30(20)38-43(5)37-23/h7-16H,1-6H3


key: SMILES
value:
  c1(c(c(c(c2c1nccn2)c1c(c(co1)SC)SC)F)F)c1c(c(c(n1C)c1[se]c2c3oc(cc3[SiH2]c2c1)c1c(c(c(c2c(c(c(c3c2nccn3)c2c(c(c(n2C)c2[se]c3c4occc4[SiH2]c3c2)OC)C)F)F)o1)SC)SC)OC)C	


key: CAN_SMILES
value:
  CSc1c(oc(c1SC)c1c(F)c(F)c(c2c1nccn2)c1c(C)c(c(n1C)c1cc2c([se]1)c1c([SiH2]2)cco1)OC)c1cc2c(o1)c1c([SiH2]2)cc([se]1)c1c(OC)c(c(n1C)c1c(F)c(F)c(c2c1nccn2)c1occ(c1SC)SC)C	


key: InChI
value:
  InChI=1S/C58H44F4N6O6S4Se2Si2/c1-21-43(31-35(59)37(61)33(41-39(31)63-12-14-65-41)52-54(76-8)24(75-7)20-72-52)68(4)46(48(21)70-6)26-19-30-58(80-26)51-28(82-30)17-23(73-51)49-55(77-9)56(78-10)53(74-49)34-38(62)36(60)32(40-42(34)66-15-13-64-40)44-22(2)47(69-5)45(67(44)3)25-18-29-57(79-25)50-27(81-29)11-16-71-50/h11-20H,81-82H2,1-10H3


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1cc(c(c2ccc(s2)c2c(c(c(c3c(c(c(c4c3non4)c3c(cc(o3)c3cc(c(c4cccs4)s3)SC)F)F)SC)s2)OC)F)s1)SC)F	


key: CAN_SMILES
value:
  COc1c(F)c(sc1c1c(SC)c(F)c(c2c1non2)c1oc(cc1F)c1cc(c(s1)c1cccs1)SC)c1ccc(s1)c1sc(cc1SC)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F	


key: InChI
value:
  InChI=1S/C50H28F6N4O6S10/c1-61-42-19(53)16-72-49(42)31-38-36(57-65-59-38)29(33(54)47(31)69-5)40-18(52)13-21(64-40)26-15-28(68-4)45(75-26)23-9-10-24(73-23)46-35(56)43(62-2)50(76-46)32-39-37(58-66-60-39)30(34(55)48(32)70-6)41-17(51)12-20(63-41)25-14-27(67-3)44(74-25)22-8-7-11-71-22/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)SC)c1cc(c(o1)c1ccc(c2cc(c(n2C)c2c(cc(c3c4c(c([se]3)c3cc(c(o3)c3ccc(c5cc(cn5C)OC)o3)F)C(=O)c3c(C4=O)cc(c(c3)SC)OC)[se]2)F)OC)o1)F	


key: CAN_SMILES
value:
  COc1cn(c(c1)c1ccc(o1)c1oc(cc1F)c1[se]c(c2c1C(=O)c1cc(SC)c(cc1C2=O)OC)c1[se]c(c(c1)F)c1c(OC)cc(n1C)c1ccc(o1)c1oc(cc1F)c1[se]c(c2c1C(=O)c1cc(SC)c(cc1C2=O)OC)c1[se]cc(c1)F)C	


key: InChI
value:
  InChI=1S/C64H40F4N2O12S2Se4/c1-69-23-26(75-3)14-34(69)36-9-11-38(79-36)58-31(66)20-44(82-58)62-50-52(55(72)28-16-41(77-5)46(84-8)18-30(28)57(50)74)64(88-62)48-21-33(68)60(86-48)53-42(78-6)22-35(70(53)2)37-10-12-39(80-37)59-32(67)19-43(81-59)61-49-51(63(87-61)47-13-25(65)24-85-47)54(71)27-15-40(76-4)45(83-7)17-29(27)56(49)73/h9-24H,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(c(c(o2)c2c(c3c(c(c(c4c(c(c(c5c4nsn5)c4c(c5c(o4)c(c(n5C)c4c(c5c(c(co5)OC)n4C)OC)C)C)SC)C)o3)OC)o2)F)OC)n1C)OC)C)C	


key: CAN_SMILES
value:
  COc1c(oc2c1n(C)c(c2OC)c1c(C)c2c(n1C)c(c(o2)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)C)c1oc2c(c1F)oc(c2OC)c1c(C)c(SC)c(c2c1nsn2)c1oc2c(c1C)n(c(c2C)c1c(OC)c2c(n1C)c(co2)OC)C	


key: InChI
value:
  InChI=1S/C66H56F2N8O14S4/c1-21-29(51-60(81-15)62-50(87-51)27(67)19-83-62)34-36(71-93-69-34)31(65(21)91-17)47-26(6)41-49(86-47)24(4)39(74(41)8)44-56(79-13)59-45(76(44)10)57(80-14)63(90-59)53-33(68)54-64(89-53)61(82-16)52(88-54)30-22(2)66(92-18)32(37-35(30)70-94-72-37)46-25(5)40-48(85-46)23(3)38(73(40)7)43-55(78-12)58-42(75(43)9)28(77-11)20-84-58/h19-20H,1-18H3


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(o3)c3cc4c(c(c(c5c(c(c(c6c5nn(n6)C)c5c(c6c(c(c(o6)c6ccc(c7cc(co7)SC)s6)C)n5C)F)OC)SC)n4C)SC)s3)SC)s2)C)n1C)F	


key: CAN_SMILES
value:
  CSc1coc(c1)c1ccc(s1)c1oc2c(c1C)n(c(c2F)c1c(OC)c(SC)c(c2c1nn(n2)C)c1c(SC)c2c(n1C)cc(s2)c1oc(cc1SC)c1ccc(s1)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/C68H58F2N10O6S10/c1-27-50-61(85-56(27)36-19-17-34(94-36)32-23-29(87-11)26-83-32)44(69)53(77(50)5)41-47-49(74-80(8)72-47)43(66(90-14)60(41)82-10)55-68(92-16)64-31(76(55)4)24-39(96-64)58-38(88-12)25-33(84-58)35-18-20-37(95-35)57-28(2)51-62(86-57)45(70)52(78(51)6)40-46-48(73-79(7)71-46)42(65(89-13)59(40)81-9)54-67(91-15)63-30(75(54)3)21-22-93-63/h17-26H,1-16H3


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1sc2c3[se]c(cc3[GeH2]c2c1)c1ccc(c2c3c(c(o2)c2cc(c(s2)c2sc4c5[se]ccc5[GeH2]c4c2)F)C(=O)c2c(C3=O)coc2F)[se]1)F	


key: CAN_SMILES
value:
  O=C1c2c(oc(c2C(=O)c2c1coc2F)c1sc(c(c1)F)c1cc2c(s1)c1c([GeH2]2)cc[se]1)c1ccc([se]1)c1cc2c([se]1)c1c([GeH2]2)cc(s1)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1	


key: InChI
value:
  InChI=1S/C52H18F4Ge2O8S4Se4/c53-17-9-24(68-45(17)25-10-20-47(69-25)49-19(57-20)5-7-72-49)42-36-34(38(60)16-14-64-52(56)32(16)40(36)62)44(66-42)29-4-3-27(73-29)30-12-22-50(74-30)48-21(58-22)11-26(70-48)46-18(54)8-23(67-46)41-35-33(43(65-41)28-2-1-6-71-28)37(59)15-13-63-51(55)31(15)39(35)61/h1-14H,57-58H2


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(c(c(s2)c2c(c3c(c(c(c4c(c(c(c5c4nc(cn5)SC)c4cc5c(s4)c(c(n5C)c4c(c5c(c(cs5)F)s4)F)C)OC)C)n3C)C)o2)OC)F)s1)F)C	


key: CAN_SMILES
value:
  COc1c(oc2c1n(C)c(c2C)c1c(C)c(OC)c(c2c1nc(SC)cn2)c1sc2c(c1)n(c(c2C)c1sc2c(c1F)scc2F)C)c1sc2c(c1F)sc(c2F)c1c(C)c2c(n1C)cc(s2)c1c(OC)c(C)c(c2c1ncc(n2)SC)c1c(C)c2c(n1C)c(co2)OC	


key: InChI
value:
  InChI=1S/C68H54F4N8O6S8/c1-23-37(48-25(3)56-52(79(48)9)32(81-11)21-85-56)46-44(73-19-35(75-46)87-15)39(54(23)82-12)34-18-31-61(91-34)28(6)51(78(31)8)64-42(71)67-68(93-64)43(72)65(94-67)59-58(84-14)53-57(86-59)26(4)49(80(53)10)38-24(2)55(83-13)40(45-47(38)76-36(88-16)20-74-45)33-17-30-60(90-33)27(5)50(77(30)7)63-41(70)66-62(92-63)29(69)22-89-66/h17-22H,1-16H3


key: SMILES
value:
  c1(c(c(c(c2c1nccn2)c1c(c(co1)SC)SC)F)F)c1c(c(c(n1C)c1[se]c2c3[se]c(cc3[nH]c2c1)c1c(c(c(c2c(c(c(c3c2nccn3)c2c(c(c(n2C)c2[se]c3c4[se]ccc4[nH]c3c2)OC)C)F)F)o1)SC)SC)OC)C	


key: CAN_SMILES
value:
  CSc1c(oc(c1SC)c1c(F)c(F)c(c2c1nccn2)c1c(C)c(c(n1C)c1cc2c([se]1)c1c([nH]2)cc[se]1)OC)c1cc2c([se]1)c1c([nH]2)cc([se]1)c1c(OC)c(c(n1C)c1c(F)c(F)c(c2c1nccn2)c1occ(c1SC)SC)C	


key: InChI
value:
  InChI=1S/C58H42F4N8O4S4Se4/c1-21-43(31-35(59)37(61)33(41-39(31)63-12-14-65-41)50-52(76-8)27(75-7)20-73-50)70(4)46(48(21)72-6)29-18-25-57(81-29)58-26(68-25)19-30(82-58)49-53(77-9)54(78-10)51(74-49)34-38(62)36(60)32(40-42(34)66-15-13-64-40)44-22(2)47(71-5)45(69(44)3)28-17-24-56(80-28)55-23(67-24)11-16-79-55/h11-20,67-68H,1-10H3


key: SMILES
value:
  c1(c(c(c(c2c1nccn2)c1c(c(co1)SC)SC)F)F)c1c(c(c(n1C)c1ccc(c2cc(c(n2C)c2c(c(c(c3c(c(c(c4c3nccn4)c3c(c(c(n3C)c3ccc(c4cc(cn4C)OC)n3C)OC)C)F)F)o2)SC)SC)OC)n1C)OC)C	


key: CAN_SMILES
value:
  COc1cc(n(c1)C)c1ccc(n1C)c1n(C)c(c(c1OC)C)c1c(F)c(F)c(c2c1nccn2)c1oc(c(c1SC)SC)c1c(OC)cc(n1C)c1ccc(n1C)c1n(C)c(c(c1OC)C)c1c(F)c(F)c(c2c1nccn2)c1occ(c1SC)SC	


key: InChI
value:
  InChI=1S/C64H60F4N10O6S4/c1-29-52(40-44(65)46(67)42(50-48(40)69-21-23-71-50)59-62(86-14)39(85-13)28-83-59)78(8)55(58(29)82-12)35-20-18-33(75(35)5)37-26-38(80-10)56(76(37)6)61-64(88-16)63(87-15)60(84-61)43-47(68)45(66)41(49-51(43)72-24-22-70-49)53-30(2)57(81-11)54(77(53)7)34-19-17-32(74(34)4)36-25-31(79-9)27-73(36)3/h17-28H,1-16H3


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)c1cc(c(c2c(cc(s2)c2c(c3c(c(c(c4c(c(c(c5c4nn(n5)C)c4c(c5c(s4)c(c(o5)c4cc(c(c5c(ccs5)SC)o4)OC)C)SC)F)C)n3C)SC)n2C)SC)SC)o1)OC)C)SC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1oc(cc1OC)c1oc2c(c1C)sc(c2SC)c1c(F)c(C)c(c2c1nn(n2)C)c1n(C)c2c(c1SC)n(cc2SC)C)c1n(C)c2c(c1SC)n(c(c2SC)c1c(C)c(F)c(c2c1nn(n2)C)c1sc2c(c1SC)oc(c2C)c1oc(c(c1)OC)c1sccc1SC)C	


key: InChI
value:
  InChI=1S/C72H66F2N10O6S12/c1-27-39(51-69(95-17)53-49(80(51)6)38(93-15)26-79(53)5)45-47(77-83(9)75-45)41(43(27)73)66-72(98-20)61-63(102-66)30(4)57(90-61)34-24-32(86-12)59(88-34)65-37(92-14)25-36(100-65)50-68(94-16)54-55(81(50)7)70(96-18)52(82(54)8)40-28(2)44(74)42(48-46(40)76-84(10)78-48)67-71(97-19)60-62(101-67)29(3)56(89-60)33-23-31(85-11)58(87-33)64-35(91-13)21-22-99-64/h21-26H,1-20H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C74H66N8O8S8/c1-31-52(62-33(3)68-64(81(62)9)42(83-11)30-88-68)58-56(75-27-50(77-58)93-17)54(66(31)84-12)47-25-39-74(98-47)36(6)61(80(39)8)46-22-20-44(96-46)41-26-49(92-16)70(89-41)72-71(86-14)65-69(90-72)34(4)63(82(65)10)53-32(2)67(85-13)55(57-59(53)78-51(94-18)28-76-57)48-24-38-73(97-48)35(5)60(79(38)7)45-21-19-43(95-45)40-23-37(91-15)29-87-40/h19-30H,1-18H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C88H72F4N6O8S8/c1-41-30-45(19-21-50(41)89)72-74(47-34-52(91)80(101-9)59(36-47)99-7)95-78-70(87(109-15)83(103-11)68(76(78)93-72)54-18-17-29-97(54)5)65-33-44(4)86(114-65)64-28-26-62(112-64)58-39-67(108-14)82(106-58)56-24-23-55(98(56)6)69-77-79(96-75(48-35-53(92)81(102-10)60(37-48)100-8)73(94-77)46-20-22-51(90)42(2)31-46)71(88(110-16)84(69)104-12)66-32-43(3)85(113-66)63-27-25-61(111-63)57-38-49(107-13)40-105-57/h17-40H,1-16H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C44H28F8N6O2S6/c1-57-12-15(45)13-9-17-20(26(47)33(13)57)28(49)37(59-17)24-32-31(54-42(52)44(56-32)66-8)22(39(63-5)40(24)64-6)35-25(46)14-10-18-21(27(48)34(14)58(35)2)29(50)36(60-18)23-30-16(11-19(61-3)38(23)62-4)53-41(51)43(55-30)65-7/h9-12H,1-8H3


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


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C34H20F2N4O10S4/c1-41-11-7-10-16(38-49-37-10)13(20(11)42-2)29-34(52-6)28-32(54-29)26-24(48-28)15(36)21(47-26)12-17-18(40-50-39-17)14(23(44-4)22(12)43-3)30-33(51-5)27-31(53-30)25-19(46-27)9(35)8-45-25/h7-8H,1-6H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C58H38F8N8O4S6Se2/c1-17-57(65)71-36-27(51(79-7)53(81-9)29(38(36)67-17)49-44(75-5)19(59)16-83-49)42-34(63)32(61)41(74(42)4)25-14-22-46(78-25)56-23(70-22)15-26(86-56)48-35(64)47(76-6)50(84-48)30-39-37(72-58(66)18(2)68-39)28(52(80-8)54(30)82-10)43-33(62)31(60)40(73(43)3)24-13-21-45(77-24)55-20(69-21)11-12-85-55/h11-16,69-70H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C62H58F2N6O12S2/c1-23-22-78-53(59(23)83-17)36-42-40(67-61(75-15)29(7)65-42)34(24(2)47(36)71-11)49-27(5)39(64)56(82-49)45-58(74-14)52-32(70(45)10)21-33(79-52)46-28(6)60(84-18)54(80-46)37-43-41(68-62(76-16)30(8)66-43)35(25(3)48(37)72-12)50-26(4)38(63)55(81-50)44-57(73-13)51-31(69(44)9)19-20-77-51/h19-22H,1-18H3


key: SMILES
value:
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key: CAN_SMILES
value:
  COc1cc(n(c1)C)c1ccc(o1)C1=C(OC)[C@H]([C](N1C)c1c([CH2])c(SC)c(c2c1nc(C)c(n2)F)c1sc(c(c1F)SC)c1c(OC)cc(n1C)c1ccc(o1)C1=C(OC)[C@H]([C](N1C)c1c([CH2])c(SC)c(c2c1nc(C)c(n2)F)c1scc(c1F)SC)C)C	


key: InChI
value:
  InChI=1S/C66H62F4N8O6S6/c1-27-42(48-50(73-65(69)31(5)71-48)44(59(27)86-16)61-46(67)41(85-15)26-89-61)52-29(3)58(82-14)55(78(52)10)39-22-20-37(84-39)35-24-40(80-12)56(76(35)8)64-63(88-18)47(68)62(90-64)45-51-49(72-32(6)66(70)74-51)43(28(2)60(45)87-17)53-30(4)57(81-13)54(77(53)9)38-21-19-36(83-38)34-23-33(79-11)25-75(34)7/h19-26,29-30H,1-2H2,3-18H3/b52-42-,53-43-/t29-,30-/m0/s1


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C60H44F6N4O8S8/c1-21-18-29(26-14-13-17-75-26)83-49(21)57-38(65)55(81-11)53(85-57)34-43-41(70-60(74-8)24(4)68-43)32(36(63)46(34)72-6)48-54(80-10)37(64)44(78-48)28-16-15-27(77-28)30-19-22(2)50(84-30)58-39(66)56(82-12)52(86-58)33-42-40(69-59(73-7)23(3)67-42)31(35(62)45(33)71-5)47-51(79-9)25(61)20-76-47/h13-20H,1-12H3


key: SMILES
value:
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key: CAN_SMILES
value:
  COC1=C(c2cc3c(o2)c2c([SiH2]3)cc([se]2)c2sc(c(c2SC)F)c2c(SC)c([CH2])c(c3c2nc(F)c(n3)C)[C]2[C@H](C)C(=C(N2C)c2cc3c(o2)c2c([SiH2]3)cc[se]2)OC)N([C]([C@@H]1C)c1c([CH2])c(SC)c(c2c1nc(C)c(n2)F)c1scc(c1F)SC)C	


key: InChI
value:
  InChI=1S/C62H52F4N6O4S6Se2Si2/c1-21-35(41-43(69-61(65)25(5)67-41)37(53(21)78-12)56-39(63)29(77-11)20-81-56)45-23(3)50(74-10)48(72(45)8)28-18-33-52(76-28)60-34(86-33)19-30(84-60)55-58(80-14)40(64)57(82-55)38-44-42(68-26(6)62(66)70-44)36(22(2)54(38)79-13)46-24(4)49(73-9)47(71(46)7)27-17-32-51(75-27)59-31(85-32)15-16-83-59/h15-20,23-24H,1-2,85-86H2,3-14H3/b45-35-,46-36-/t23-,24-/m0/s1


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C58H38F8N8O4S8/c1-17-57(65)71-36-27(53(79-7)55(81-9)29(38(36)67-17)51-44(75-5)19(59)16-84-51)42-34(63)32(61)41(74(42)4)25-14-22-46(78-25)49-23(70-22)15-26(85-49)50-35(64)47(76-6)52(86-50)30-39-37(72-58(66)18(2)68-39)28(54(80-8)56(30)82-10)43-33(62)31(60)40(73(43)3)24-13-21-45(77-24)48-20(69-21)11-12-83-48/h11-16,69-70H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C58H40F8Ge2N6O2S8Se2/c1-17-57(65)71-36-27(51(77-7)53(79-9)29(38(36)69-17)49-44(75-5)19(59)16-81-49)42-34(63)32(61)41(74(42)4)25-14-22-47(83-25)56-23(68-22)15-26(86-56)48-35(64)45(76-6)50(84-48)30-39-37(72-58(66)18(2)70-39)28(52(78-8)54(30)80-10)43-33(62)31(60)40(73(43)3)24-13-21-46(82-24)55-20(67-21)11-12-85-55/h11-16H,67-68H2,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C60H32F2O10Se8Si2/c1-67-27-14-23-21(12-25(27)61)47(63)43-45(49(23)65)57(79-55(43)34-6-5-10-73-34)37-16-30(70-4)54(77-37)32-19-41-52(72-32)60-42(82-41)20-36(76-60)33-7-8-35(75-33)56-44-46(50(66)24-15-28(68-2)26(62)13-22(24)48(44)64)58(80-56)38-17-29(69-3)53(78-38)31-18-40-51(71-31)59-39(81-40)9-11-74-59/h5-20H,81-82H2,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)C)c1c(c(co1)F)SC)F)OC)c1c(c(c(s1)c1cc(c(c2c(cc(s2)c2c(c(c(c3c(c(c(c4c3nc(c(n4)C)OC)c3c(c(c(s3)c3cc(c(c4c(ccs4)SC)o3)OC)F)SC)OC)F)o2)SC)F)SC)o1)OC)F)SC	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C62H48F6N4O10S10/c1-21-61(77-7)71-40-31(49-51(85-11)23(63)20-79-49)35(64)47(75-5)33(42(40)69-21)56-60(88-14)39(68)53(92-56)27-18-25(74-4)45(81-27)55-30(84-10)19-29(90-55)46-37(66)58(86-12)50(82-46)32-36(65)48(76-6)34(43-41(32)72-62(78-8)22(2)70-43)57-59(87-13)38(67)52(91-57)26-17-24(73-3)44(80-26)54-28(83-9)15-16-89-54/h15-20H,1-14H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C70H64F2N12O6S6/c1-29-26-38(33-20-19-24-77(33)5)87-57(29)59-31(3)51-63(89-59)45(71)54(81(51)9)42-48-50(76-84(12)74-48)44(68(92-16)62(42)86-14)56-70(94-18)66-37(80(56)8)28-40(96-66)35-22-21-34(78(35)6)39-27-30(2)58(88-39)60-32(4)52-64(90-60)46(72)53(82(52)10)41-47-49(75-83(11)73-47)43(67(91-15)61(41)85-13)55-69(93-17)65-36(79(55)7)23-25-95-65/h19-28H,1-18H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C68H58F2N10O8S8/c1-27-49-61(87-55(27)34-17-19-36(94-34)57-31(81-9)21-23-85-57)43(69)52(77(49)5)40-46-48(74-80(8)72-46)42(66(90-14)60(40)84-12)54-68(92-16)64-30(76(54)4)25-38(96-64)32-26-33(82-10)58(86-32)37-20-18-35(95-37)56-28(2)50-62(88-56)44(70)51(78(50)6)39-45-47(73-79(7)71-45)41(65(89-13)59(39)83-11)53-67(91-15)63-29(75(53)3)22-24-93-63/h17-26H,1-16H3


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(c(o3)c3c(c4c(c(c(c5c(c(c(c6c5nn(n6)C)c5c(c6c(s5)c(c(o6)c5cc6c(c7c(c(co7)F)s6)s5)C)SC)F)C)n4C)SC)n3C)SC)F)s2)s1)C)SC	


key: CAN_SMILES
value:
  CSc1c(c2oc3c(c2F)sc2c3sc(c2)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)c1cc2c(s1)c1c(s2)c(co1)F)C	


key: InChI
value:
  InChI=1S/C68H52F4N10O4S12/c1-21-31(43-64(88-12)45-42(78(43)6)30(87-11)19-77(45)5)38-40(75-81(9)73-38)33(35(21)70)61-68(92-16)54-57(98-61)24(4)50(85-54)27-18-29-60(94-27)55-63(96-29)37(72)51(86-55)48-66(90-14)47-46(80(48)8)65(89-13)44(79(47)7)32-22(2)36(71)34(41-39(32)74-82(10)76-41)62-67(91-15)53-56(97-62)23(3)49(84-53)26-17-28-59(93-26)52-58(95-28)25(69)20-83-52/h17-20H,1-16H3


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)c2[se]c3c4oc(cc4[SiH2]c3c2)c2c(c3c(c(c(c4c(c(c(c5c4nc(c(n5)c4cc(cc(c4)C)F)c4cc(c(c(c4)OC)F)SC)c4c(c5c(c(c(s5)c5[se]c6c7occc7[SiH2]c6c5)F)n4C)F)OC)SC)s3)F)s2)F)F)n1C)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C92H56F12N6O6S10Se2Si2/c1-29-15-31(19-35(93)17-29)62-64(33-21-38(111-5)53(96)41(23-33)117-9)107-68-51(82-60(103)88-78(122-82)37(95)28-121-88)84(119-11)76(113-7)49(66(68)105-62)70-56(99)87-73(110(70)4)58(101)81(125-87)44-27-48-92(128-44)75-46(130-48)25-40(116-75)79-59(102)89-90(123-79)61(104)83(126-89)52-69-67(106-63(32-16-30(2)18-36(94)20-32)65(108-69)34-22-39(112-6)54(97)42(24-34)118-10)50(77(114-8)85(52)120-12)71-55(98)86-72(109(71)3)57(100)80(124-86)43-26-47-91(127-43)74-45(129-47)13-14-115-74/h13-28H,129-130H2,1-12H3


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(c(c(o3)c3c(c4c(c(c(c5c(c(c(c6c5nc(cn6)SC)c5cc6c(s5)c(c(n6C)c5c(c6c(c7c(c(co7)F)o6)s5)SC)C)OC)C)n4C)C)o3)OC)F)o2)s1)SC)C	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1sc2c(c1)n(c(c2C)c1sc2c(c1SC)oc1c2occ1F)C)OC)C)c1c(C)c2c(n1C)c(c(o2)c1oc2c(c1F)oc1c2sc(c1SC)c1c(C)c2c(n1C)cc(s2)c1c(OC)c(C)c(c2c1ncc(n2)SC)c1c(C)c2c(n1C)c(co2)OC)OC	


key: InChI
value:
  InChI=1S/C74H60F2N8O10S8/c1-25-39(48-27(3)56-52(83(48)9)34(85-11)24-90-56)46-44(77-21-37(79-46)95-15)41(54(25)86-12)35-20-33-68(100-35)30(6)51(82(33)8)70-74(98-18)66-72(102-70)64-60(94-66)43(76)59(93-64)62-61(88-14)53-57(91-62)28(4)49(84(53)10)40-26(2)55(87-13)42(45-47(40)80-38(96-16)22-78-45)36-19-32-67(99-36)29(5)50(81(32)7)69-73(97-17)65-71(101-69)63-58(92-65)31(75)23-89-63/h19-24H,1-18H3


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(c2ccc(o2)c2ccc(c3c(c(c(c4c3nc(c(n4)c3cc(c(c(c3)F)OC)OC)c3ccc(c(c3)C)F)c3cc(c(s3)c3c(cc(c4ccco4)s3)C)C)SC)OC)n2C)s1)C)C	


key: CAN_SMILES
value:
  COc1cc(cc(c1OC)F)c1nc2c(c3sc(c(c3)C)c3sc(cc3C)c3ccco3)c(SC)c(c(c2nc1c1ccc(c(c1)C)F)c1ccc(n1C)c1ccc(o1)c1sc(c(c1)C)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/C88H72F4N6O8S6/c1-41-31-47(21-23-51(41)89)71-73(49-37-53(91)79(101-11)61(39-49)99-9)95-77-69(87(107-15)81(103-13)67(75(77)93-71)56-19-17-29-97(56)7)65-36-46(6)86(112-65)84-44(4)34-64(110-84)60-28-27-58(106-60)55-25-26-57(98(55)8)68-76-78(96-74(50-38-54(92)80(102-12)62(40-50)100-10)72(94-76)48-22-24-52(90)42(2)32-48)70(88(108-16)82(68)104-14)66-35-45(5)85(111-66)83-43(3)33-63(109-83)59-20-18-30-105-59/h17-40H,1-16H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)F)C)c1c(c(cs1)SC)F)SC)C)c1c(c(c(n1C)c1cc(c(c2c(cc(s2)c2c(c(c(c3c(c(c(c4c3nc(c(n4)C)F)c3c(c(c(n3C)c3cc(c(c4c(ccs4)SC)o3)C)OC)C)C)SC)s2)F)SC)SC)o1)C)OC)C	


key: CAN_SMILES
value:
  CSc1c(sc(c1F)c1c(SC)c(C)c(c2c1nc(F)c(n2)C)c1c(C)c(c(n1C)c1oc(c(c1)C)c1sccc1SC)OC)c1sc(c(c1)SC)c1oc(cc1C)c1c(OC)c(c(n1C)c1c(C)c(SC)c(c2c1nc(C)c(n2)F)c1scc(c1F)SC)C	


key: InChI
value:
  InChI=1S/C66H60F4N6O4S10/c1-25-21-33(79-53(25)59-35(81-13)19-20-87-59)51-55(77-11)30(6)50(75(51)9)40-28(4)58(85-17)42(48-46(40)72-32(8)66(70)74-48)63-44(68)64(86-18)61(90-63)37-23-36(82-14)60(89-37)54-26(2)22-34(80-54)52-56(78-12)29(5)49(76(52)10)39-27(3)57(84-16)41(62-43(67)38(83-15)24-88-62)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)F)c1c(c(cs1)F)OC)SC)SC)c1c(c(c(n1C)c1cc2c(c3c(c(c(o3)c3c(c(c(c4c(c(c(c5c4nc(c(n5)F)C)c4c(c(c(n4C)c4cc5c(c6c(c(co6)SC)o5)n4C)F)F)SC)SC)s3)OC)F)SC)o2)n1C)F)F	


key: CAN_SMILES
value:
  COc1c(F)c(sc1c1c(SC)c(SC)c(c2c1nc(C)c(n2)F)c1c(F)c(c(n1C)c1cc2c(n1C)c1c(o2)c(co1)SC)F)c1oc2c(c1SC)oc1c2n(C)c(c1)c1n(C)c(c(c1F)F)c1c(SC)c(SC)c(c2c1nc(F)c(n2)C)c1scc(c1OC)F	


key: InChI
value:
  InChI=1S/C62H46F8N8O6S8/c1-19-61(69)73-36-27(55(86-10)57(88-12)29(38(36)71-19)53-46(79-7)21(63)18-91-53)44-34(67)32(65)41(78(44)6)23-16-25-43(76(23)4)50-51(83-25)60(90-14)52(84-50)59-35(68)48(80-8)54(92-59)30-39-37(74-62(70)20(2)72-39)28(56(87-11)58(30)89-13)45-33(66)31(64)40(77(45)5)22-15-24-42(75(22)3)49-47(82-24)26(85-9)17-81-49/h15-18H,1-14H3


key: SMILES
value:
  c1(cc(c(c2c1nc(cn2)SC)c1cc2c(o1)c(co2)OC)SC)c1c(c2c(o1)cc(o2)c1sc2c3[se]c(cc3[GeH2]c2c1)c1c(c2c(cc(c3c(cc(c4c3ncc(n4)SC)c3c(c4c(o3)cc(o4)c3sc4c5[se]ccc5[GeH2]c4c3)SC)SC)o2)o1)OC)SC	


key: CAN_SMILES
value:
  COc1c(oc2c1oc(c2)c1c(SC)cc(c2c1ncc(n2)SC)c1oc2c(c1SC)oc(c2)c1cc2c(s1)c1c([GeH2]2)cc[se]1)c1cc2c([se]1)c1c([GeH2]2)cc(s1)c1cc2c(o1)c(c(o2)c1cc(SC)c(c2c1nc(SC)cn2)c1cc2c(o1)c(co2)OC)SC	


key: InChI
value:
  InChI=1S/C64H42Ge2N4O10S8Se2/c1-71-37-22-73-33-18-31(76-53(33)37)45-40(81-3)11-23(47-49(45)67-20-43(69-47)83-5)51-62(86-8)56-36(79-51)17-30(75-56)39-14-27-60(88-39)64-28(66-27)15-42(90-64)57-58(72-2)54-34(80-57)19-32(77-54)46-41(82-4)12-24(48-50(46)68-21-44(70-48)84-6)52-61(85-7)55-35(78-52)16-29(74-55)38-13-26-59(87-38)63-25(65-26)9-10-89-63/h9-22H,65-66H2,1-8H3


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1ccc(c2cc(c(n2C)c2ccc(c3c4c(c(o3)c3cc(c(s3)c3ccc(c5cc(cn5C)SC)s3)F)C(=O)c3c(C4=O)coc3F)[se]2)SC)s1)F	


key: CAN_SMILES
value:
  CSc1cc(n(c1)C)c1ccc(s1)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc([se]1)c1c(SC)cc(n1C)c1ccc(s1)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1	


key: InChI
value:
  InChI=1S/C56H28F4N2O8S6Se2/c1-61-18-21(71-3)14-26(61)28-7-9-30(73-28)53-24(57)16-34(76-53)50-43-41(46(64)23-20-68-56(60)39(23)48(43)66)52(70-50)37-12-11-35(78-37)44-32(72-4)17-27(62(44)2)29-8-10-31(74-29)54-25(58)15-33(75-54)49-42-40(51(69-49)36-6-5-13-77-36)45(63)22-19-67-55(59)38(22)47(42)65/h5-20H,1-4H3


key: SMILES
value:
  c1(cc(c(c2nn(nc12)C)c1c(c2c(c(cn2C)OC)n1C)SC)F)c1c(c2c(o1)c(c(n2C)c1cc(c(c2ccc(s2)c2c(c3c(c(c(c4c(cc(c5c4nn(n5)C)c4c(c5c(o4)c(c(n5C)c4cc(c(c5cccs5)s4)SC)F)SC)F)n3C)SC)n2C)OC)s1)SC)F)SC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1ccc(s1)c1n(C)c2c(c1OC)n(c(c2SC)c1c(F)cc(c2c1nn(n2)C)c1oc2c(c1SC)n(c(c2F)c1cc(c(s1)c1cccs1)SC)C)C)c1c(F)c2c(n1C)c(c(o2)c1cc(F)c(c2c1nn(n2)C)c1n(C)c2c(c1SC)n(cc2OC)C)SC	


key: InChI
value:
  InChI=1S/C68H58F4N12O4S10/c1-77-26-31(85-9)47-54(77)65(91-13)51(78(47)2)39-29(69)22-27(43-45(39)75-83(7)73-43)58-68(94-16)57-61(88-58)42(72)49(80(57)4)36-25-38(90-12)64(98-36)34-20-19-32(96-34)50-62(86-10)53-55(81(50)5)66(92-14)52(82(53)6)40-30(70)23-28(44-46(40)76-84(8)74-44)59-67(93-15)56-60(87-59)41(71)48(79(56)3)35-24-37(89-11)63(97-35)33-18-17-21-95-33/h17-26H,1-16H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(cs2)F)C)F)C)c1c(c2c(cc(s2)c2c(c3c(c4c(c(c3n2C)c2ccc(s2)SC)c(c(s4)c2c(c3c(c(c(c4c(c(c(c5c4nsn5)c4c(c5c(cc(s5)c5c(c6c(c7c(c(c6n5C)c5ccc(s5)SC)c(cs7)SC)c5cc(c(s5)C)F)C)n4C)OC)C)F)o3)C)s2)F)SC)c2cc(c(s2)C)F)C)n1C)OC	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)c(sc2c(c2c1n(C)c(c2C)c1cc2c(s1)c(c(n2C)c1c(C)c(F)c(c2c1nsn2)c1oc2c(c1C)scc2F)OC)c1sc(c(c1)F)C)c1sc2c(c1F)oc(c2C)c1c(F)c(C)c(c2c1nsn2)c1n(C)c2c(c1OC)sc(c2)c1n(C)c2c(c1C)c(c1sc(c(c1)F)C)c1c(c2c2ccc(s2)SC)c(SC)cs1	


key: InChI
value:
  InChI=1S/C90H64F6N8O4S16/c1-29-53(66-68(99-123-97-66)61(63(29)94)76-33(5)82-78(107-76)39(93)27-113-82)74-80(105-13)85-41(102(74)10)26-47(120-85)71-32(4)52-58(45-24-38(92)36(8)116-45)87-60(56(73(52)104(71)12)43-20-22-50(111-17)118-43)88(112-18)90(122-87)89-65(96)79-83(121-89)34(6)77(108-79)62-64(95)30(2)54(67-69(62)100-124-98-67)75-81(106-14)84-40(101(75)9)25-46(119-84)70-31(3)51-57(44-23-37(91)35(7)115-44)86-59(48(109-15)28-114-86)55(72(51)103(70)11)42-19-21-49(110-16)117-42/h19-28H,1-18H3


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)C)o8)n7C)C)n6C)F)OC)SC)n5C)SC)s4)C)o3)n2C)C)n1C)F	


key: CAN_SMILES
value:
  CSc1c(c2nn(nc2c(c1OC)c1n(C)c2c(c1F)oc(c2C)c1cc2c(n1C)c1c(o2)c(co1)C)C)c1n(C)c2c(c1SC)sc(c2)c1oc2c(c1C)oc1c2n(C)c(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/C70H60F2N12O8S6/c1-25-24-87-63-48-33(88-54(25)63)21-30(78(48)6)55-26(2)46-61(90-55)40(71)51(81(46)9)37-43-45(76-84(12)74-43)39(68(94-16)60(37)86-14)53-70(96-18)66-32(80(53)8)23-35(98-66)57-28(4)58-64(92-57)49-34(89-58)22-31(79(49)7)56-27(3)47-62(91-56)41(72)50(82(47)10)36-42-44(75-83(11)73-42)38(67(93-15)59(36)85-13)52-69(95-17)65-29(77(52)5)19-20-97-65/h19-24H,1-18H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C68H64F2N12O6S8/c1-25-24-94-65-42(25)77(7)50(58(65)85-15)52-26(2)43-56(87-52)36(69)47(78(43)8)33-39-41(74-82(12)72-39)35(64(90-18)55(33)84-14)49-68(92-20)62-30(76(49)6)23-31(95-62)60-28(4)45-66(96-60)59(86-16)51(80(45)10)53-27(3)44-57(88-53)37(70)46(79(44)9)32-38-40(73-81(11)71-38)34(63(89-17)54(32)83-13)48-67(91-19)61-29(75(48)5)21-22-93-61/h21-24H,1-20H3


key: SMILES
value:
  c1(cc(c(c2c1nc(cn2)SC)c1cc2c(o1)c(co2)OC)SC)c1c(c2c(o1)cc(o2)c1cc2c(c3c(c(c(o3)c3c(c4c(cc(c5c(cc(c6c5ncc(n6)SC)c5c(c6c(o5)cc(o6)c5cc6c(c7c(c(co7)F)s6)s5)SC)SC)o4)o3)OC)F)s2)s1)SC	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C64H36F2N4O12S10/c1-71-32-20-73-28-13-26(77-50(28)32)41-35(83-3)9-21(44-46(41)67-17-39(69-44)85-5)48-64(88-8)53-31(80-48)12-25(76-53)34-16-38-61(90-34)58-62(92-38)43(66)54(82-58)56-55(72-2)51-29(81-56)14-27(78-51)42-36(84-4)10-22(45-47(42)68-18-40(70-45)86-6)49-63(87-7)52-30(79-49)11-24(75-52)33-15-37-60(89-33)57-59(91-37)23(65)19-74-57/h9-20H,1-8H3


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(n3C)c3cc4c(c(c(c5c(c(c(c6c5nn(n6)C)c5c(c6c(c(c(o6)c6c(c7c(c(cn7C)C)s6)SC)C)n5C)F)OC)SC)n4C)SC)s3)C)s2)SC)C)n1C)F	


key: CAN_SMILES
value:
  CSc1c(sc2c1n(C)c(c2C)c1cc2c(s1)c(c(n2C)c1c(SC)c(OC)c(c2c1nn(n2)C)c1n(C)c2c(c1F)oc(c2C)c1sc2c(c1SC)n(cc2C)C)SC)c1oc2c(c1C)n(c(c2F)c1c(OC)c(SC)c(c2c1nn(n2)C)c1n(C)c2c(c1SC)scc2)C	


key: InChI
value:
  InChI=1S/C68H64F2N12O4S10/c1-25-24-75(5)49-57(25)95-67(65(49)91-19)51-26(2)43-55(85-51)36(69)46(79(43)9)33-39-41(74-82(12)72-39)35(62(88-16)54(33)84-14)48-64(90-18)60-30(77(48)7)23-31(94-60)42-28(4)58-50(78(42)8)66(92-20)68(96-58)52-27(3)44-56(86-52)37(70)45(80(44)10)32-38-40(73-81(11)71-38)34(61(87-15)53(32)83-13)47-63(89-17)59-29(76(47)6)21-22-93-59/h21-24H,1-20H3


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(c(o2)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)c4c(c5c(c(co5)OC)n4C)OC)SC)C)OC)s3)s2)OC)n1C)OC)SC)C	


key: CAN_SMILES
value:
  CSc1cc(cc(c1SC)C)c1nc2c(cc(c(c2nc1c1cc(C)c(c(c1)F)OC)c1sc2c(c1C)oc(c2SC)c1c(OC)c2c(n1C)c(co2)OC)OC)c1cc2c(s1)cc(s2)c1oc2c(c1OC)n(c(c2OC)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)C	


key: InChI
value:
  InChI=1S/C98H82F2N6O12S12/c1-39-25-45(29-51(99)79(39)110-12)67-69(47-27-41(3)91(121-19)63(31-47)119-17)101-71-49(57-35-59-56(126-57)23-24-125-59)33-53(107-9)65(73(71)103-67)94-44(6)82-98(130-94)96(124-22)90(117-82)78-86(114-16)88-76(106(78)8)84(112-14)83(118-88)62-37-61-60(128-62)36-58(127-61)50-34-54(108-10)66(93-43(5)81-97(129-93)95(123-21)89(116-81)77-85(113-15)87-75(105(77)7)55(109-11)38-115-87)74-72(50)102-70(48-28-42(4)92(122-20)64(32-48)120-18)68(104-74)46-26-40(2)80(111-13)52(100)30-46/h23-38H,1-22H3


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1c(cc(c2ccc(n2C)c2c(c(c(c3c(c(c(c4c3non4)c3c(cc(o3)c3c(cc(c4cccn4C)o3)C)F)F)SC)s2)OC)F)o1)C)F	


key: CAN_SMILES
value:
  COc1c(F)c(sc1c1c(SC)c(F)c(c2c1non2)c1oc(cc1F)c1oc(cc1C)c1cccn1C)c1ccc(n1C)c1cc(c(o1)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F)C	


key: InChI
value:
  InChI=1S/C52H34F6N6O8S4/c1-19-14-27(24-10-9-13-63(24)3)67-42(19)29-16-21(53)45(69-29)32-36(57)50(74-8)34(41-39(32)60-72-62-41)52-47(66-6)37(58)48(76-52)26-12-11-25(64(26)4)28-15-20(2)43(68-28)30-17-22(54)44(70-30)31-35(56)49(73-7)33(40-38(31)59-71-61-40)51-46(65-5)23(55)18-75-51/h9-18H,1-8H3


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1c(c2c(c(c(n2C)c2ccc(c3c4c(c(o3)c3cc(c(s3)c3c(c5c(c(cn5C)C)s3)SC)F)C(=O)c3c(C4=O)coc3F)[se]2)C)s1)SC)F	


key: CAN_SMILES
value:
  CSc1c(sc2c1n(C)c(c2C)c1ccc([se]1)c1oc(c2c1C(=O)c1c(C2=O)c(oc1)F)c1cc(c(s1)c1sc2c(c1SC)n(cc2C)C)F)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1	


key: InChI
value:
  InChI=1S/C54H28F4N2O8S6Se2/c1-17-14-59(3)35-45(17)73-51(49(35)69-5)47-21(55)12-24(71-47)42-33-31(38(62)20-16-66-54(58)29(20)40(33)64)44(68-42)27-10-9-25(76-27)34-18(2)46-36(60(34)4)50(70-6)52(74-46)48-22(56)13-23(72-48)41-32-30(43(67-41)26-8-7-11-75-26)37(61)19-15-65-53(57)28(19)39(32)63/h7-16H,1-6H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)C)C(=O)c1c(sc(c1C2=O)F)SC)c1ccc(s1)c1ccc(c2c(cc(o2)c2c(cc(c3c4c(c(o3)c3ccc(s3)c3ccc(c5c(cco5)OC)s3)C(=O)c3c(C4=O)c(sc3F)SC)s2)C)OC)s1	


key: CAN_SMILES
value:
  COc1cc(oc1c1ccc(s1)c1ccc(s1)c1oc(c2c1C(=O)c1c(C2=O)c(sc1F)SC)c1scc(c1)C)c1sc(cc1C)c1oc(c2c1C(=O)c1c(C2=O)c(sc1SC)F)c1ccc(s1)c1ccc(s1)c1occc1OC	


key: InChI
value:
  InChI=1S/C58H32F2O10S10/c1-21-17-34(73-20-21)52-38-36(44(61)40-42(46(38)63)57(71-5)79-55(40)59)50(69-52)32-13-10-29(77-32)27-8-12-31(75-27)49-24(66-4)19-25(68-49)54-22(2)18-35(78-54)53-39-37(45(62)41-43(47(39)64)58(72-6)80-56(41)60)51(70-53)33-14-9-28(76-33)26-7-11-30(74-26)48-23(65-3)15-16-67-48/h7-20H,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)c1cc2c(c3c(c(c(o3)c3c(c4c(c(c(c5c(c(c(c6c5nsn6)c5c(c6c(o5)c(c(n6C)c5cc6c(c7c(c(co7)C)o6)n5C)C)C)SC)C)o4)OC)o3)F)C)o2)n1C)C)C	


key: CAN_SMILES
value:
  CSc1c(C)c(c2oc3c(c2OC)oc(c3F)c2oc3c(c2C)oc2c3n(C)c(c2)c2n(C)c3c(c2C)oc(c3C)c2c(SC)c(C)c(c3c2nsn3)c2oc3c(c2OC)occ3F)c2c(c1c1oc3c(c1C)n(c(c3C)c1cc3c(n1C)c1c(o3)c(co1)C)C)nsn2	


key: InChI
value:
  InChI=1S/C68H52F2N8O12S4/c1-21-19-81-61-47-32(83-49(21)61)17-30(75(47)9)43-24(4)52-45(77(43)11)26(6)51(85-52)37-42-40(72-94-74-42)35(23(3)68(37)92-16)58-64(80-14)66-60(89-58)38(70)59(90-66)54-28(8)55-62(87-54)48-33(84-55)18-31(76(48)10)44-25(5)53-46(78(44)12)27(7)50(86-53)36-41-39(71-93-73-41)34(22(2)67(36)91-15)57-63(79-13)65-56(88-57)29(69)20-82-65/h17-20H,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(cc(c2ccc(n2C)c2c(cc(c3c4c(c([se]3)c3cc(c(o3)c3c(cc(c5cccn5C)o3)C)F)C(=O)c3c(C4=O)cc(c(c3)SC)OC)[se]2)F)o1)C)F	


key: CAN_SMILES
value:
  COc1cc2C(=O)c3c([se]c(c3C(=O)c2cc1SC)c1oc(c(c1)F)c1oc(cc1C)c1cccn1C)c1[se]c(c(c1)F)c1ccc(n1C)c1oc(c(c1)C)c1oc(cc1F)c1[se]c(c2c1C(=O)c1cc(SC)c(cc1C2=O)OC)c1[se]cc(c1)F	


key: InChI
value:
  InChI=1S/C64H40F4N2O10S2Se4/c1-25-14-38(35-10-9-13-69(35)3)77-56(25)58-32(66)22-43(80-58)62-49-51(53(72)29-18-41(76-6)45(82-8)20-31(29)55(49)74)64(86-62)47-23-34(68)60(84-47)37-12-11-36(70(37)4)39-15-26(2)57(78-39)59-33(67)21-42(79-59)61-48-50(63(85-61)46-16-27(65)24-83-46)52(71)28-17-40(75-5)44(81-7)19-30(28)54(48)73/h9-24H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)C)c1c(c(co1)F)SC)F)OC)c1c(c(c(s1)c1[se]c2c3[se]c(cc3[nH]c2c1)c1c(c(c(c2c(c(c(c3c2nc(c(n3)C)OC)c2c(c(c(s2)c2[se]c3c4[se]ccc4[nH]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([se]1)c1c([nH]2)cc[se]1)c1cc2c([se]1)c1c([nH]2)cc([se]1)c1sc(c(c1F)SC)c1c(OC)c(F)c(c2c1nc(C)c(n2)OC)c1occ(c1SC)F	


key: InChI
value:
  InChI=1S/C58H38F6N6O6S6Se4/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)65-17)48-52(80-10)35(64)47(82-48)26-15-23-56(86-26)55-21(68-23)13-24(84-55)40-33(62)50(78-8)44(76-40)28-32(61)42(72-4)30(39-37(28)70-58(74-6)18(2)66-39)49-51(79-9)34(63)46(81-49)25-14-22-54(85-25)53-20(67-22)11-12-83-53/h11-16,67-68H,1-10H3


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(c2OC)c(c(o3)c2c(c(c(c3c(c(c(c4c3nc(c(n4)OC)C)c3c(c(c(o3)c3oc4c(c(c5c(c4OC)c(co5)C)F)c3F)F)C)C)OC)o2)SC)C)C)F)c1F)F)C	


key: CAN_SMILES
value:
  CSc1c(C)c(oc1c1c(OC)c(C)c(c2c1nc(C)c(n2)OC)c1oc(c(c1C)F)c1oc2c(c1F)c(F)c1c(c2OC)c(C)co1)c1oc2c(c1C)c(OC)c1c(c2F)c(F)c(o1)c1oc(c(c1F)C)c1c(C)c(OC)c(c2c1nc(OC)c(n2)C)c1occ(c1SC)C	


key: InChI
value:
  InChI=1S/C70H56F6N4O14S2/c1-21-19-87-55-31(21)57(83-13)59-35(41(55)73)43(75)65(93-59)63-39(71)27(7)52(90-63)33-24(4)50(82-12)38(48-46(33)80-70(86-16)30(10)78-48)62-68(96-18)28(8)54(92-62)53-25(5)34-56(91-53)42(74)36-44(76)66(94-60(36)58(34)84-14)64-40(72)26(6)51(89-64)32-23(3)49(81-11)37(61-67(95-17)22(2)20-88-61)47-45(32)79-69(85-15)29(9)77-47/h19-20H,1-18H3


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(cc(c2ccc(s2)c2c(c3c(c(c(c4cc(c(c5c4nc(c(n5)C)F)c4cc5c(o4)c(c(s5)c4c(cc(c5cccs5)o4)C)SC)SC)o3)C)n2C)SC)o1)C)SC	


key: CAN_SMILES
value:
  CSc1cc(c2c(c1c1cc3c(o1)c(c(s3)c1oc(cc1C)c1cccs1)SC)nc(c(n2)F)C)c1oc2c(c1C)n(c(c2SC)c1ccc(s1)c1cc(c(o1)c1sc2c(c1SC)oc(c2)c1c(SC)cc(c2c1nc(C)c(n2)F)c1oc2c(c1C)n(cc2SC)C)C)C	


key: InChI
value:
  InChI=1S/C70H54F2N6O6S10/c1-27-20-35(39-16-15-19-91-39)79-56(27)67-65(89-13)61-44(93-67)24-38(81-61)48-43(86-10)23-34(50-52(48)74-32(6)70(72)76-50)59-30(4)54-63(84-59)64(88-12)55(78(54)8)41-18-17-40(92-41)36-21-28(2)57(80-36)68-66(90-14)62-45(94-68)25-37(82-62)47-42(85-9)22-33(49-51(47)73-31(5)69(71)75-49)58-29(3)53-60(83-58)46(87-11)26-77(53)7/h15-26H,1-14H3


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(cc(c2c(cc(s2)c2c(c3c(c(c(c4c(c(c(c5c4nc(cn5)SC)c4c(c5c(s4)cc(n5C)c4c(cc(c5c(ccs5)C)s4)OC)SC)F)SC)o3)OC)s2)F)C)s1)OC)SC	


key: CAN_SMILES
value:
  COc1c2sc(c(c2oc1c1c(SC)c(F)c(c2c1nc(SC)cn2)c1sc2c(c1SC)n(c(c2)c1sc(cc1OC)c1sccc1C)C)F)c1cc(c(s1)c1cc(c(s1)c1cc2c(n1C)c(c(s2)c1c(F)c(SC)c(c2c1ncc(n2)SC)c1oc2c(c1OC)scc2F)SC)OC)C	


key: InChI
value:
  InChI=1S/C70H52F4N6O6S14/c1-25-15-16-93-58(25)35-20-30(81-5)60(98-35)28-18-32-50(79(28)3)67(91-13)66(95-32)40-44(73)64(90-12)42(49-47(40)76-23-38(78-49)88-10)54-57(84-8)70-55(86-54)45(74)62(100-70)34-17-26(2)59(97-34)36-21-31(82-6)61(99-36)29-19-33-51(80(29)4)68(92-14)65(96-33)39-43(72)63(89-11)41(48-46(39)75-22-37(77-48)87-9)53-56(83-7)69-52(85-53)27(71)24-94-69/h15-24H,1-14H3


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(cc(c2ccc(n2C)c2c(c3c(c(c(c4c(c(c(c5c4nc(cn5)SC)c4c(c5c(s4)cc(n5C)c4c(cc(c5cccn5C)o4)C)SC)F)SC)o3)OC)s2)F)o1)C)SC	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C70H54F4N8O6S10/c1-27-20-35(30-16-15-19-79(30)3)85-54(27)33-22-37-52(81(33)5)67(93-13)66(96-37)42-46(73)64(92-12)44(51-49(42)76-25-40(78-51)90-10)58-61(84-8)70-59(88-58)47(74)62(98-70)32-18-17-31(80(32)4)36-21-28(2)55(86-36)34-23-38-53(82(34)6)68(94-14)65(97-38)41-45(72)63(91-11)43(50-48(41)75-24-39(77-50)89-9)57-60(83-7)69-56(87-57)29(71)26-95-69/h15-26H,1-14H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C56H46F4N8O8S4/c1-23-18-33(30-14-13-17-65(30)3)73-42(23)50-48(71-9)47(70-8)45(75-50)36-28(58)21-26(39-41(36)64-68(6)62-39)53-56(78-12)37(60)55(80-53)32-16-15-31(66(32)4)34-19-24(2)43(74-34)51-49(72-10)46(69-7)44(76-51)35-27(57)20-25(38-40(35)63-67(5)61-38)52-54(77-11)29(59)22-79-52/h13-22H,1-12H3


key: InChI
value:
  InChI=1S/C38H38N8O4S2/c1-19-11-12-22-33(41-45(5)39-22)30(19)37-27(48-8)18-25(50-37)36-29(52-10)16-23(44(36)4)21-15-20(2)31(34-32(21)40-46(6)42-34)38-26(47-7)17-24(49-38)35-28(51-9)13-14-43(35)3/h11-18H,1-10H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cs1)F)SC)F)c1c(c(c(o1)c1oc2c3[se]c(cc3[nH]c2c1)c1c(c(c(c2cc(c(c3c2nn(n3)C)c2c(c(c(o2)c2oc3c4[se]ccc4[nH]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([nH]2)cc[se]1)c1cc2c([se]1)c1c([nH]2)cc(o1)c1oc(c(c1OC)OC)c1c(F)cc(c2c1nn(n2)C)c1scc(c1SC)F	


key: InChI
value:
  InChI=1S/C52H34F4N8O8S4Se2/c1-63-59-32-17(46-48(73-7)21(55)16-75-46)11-19(53)29(34(32)61-63)40-44(67-5)43(66-4)39(72-40)27-14-24-37(70-27)52-25(58-24)15-28(78-52)49-31(56)50(74-8)47(76-49)18-12-20(54)30(35-33(18)60-64(2)62-35)41-45(68-6)42(65-3)38(71-41)26-13-23-36(69-26)51-22(57-23)9-10-77-51/h9-16,57-58H,1-8H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(cc1)F)F)c1ccccc1)SC)C)c1[se]c2c3sc(cc3[SiH2]c2c1)c1c(c(c(c2c1nc(c(n2)c1ccccc1)c1cc(c(cc1)F)F)c1[se]c2c3sccc3[SiH2]c2c1)C)SC	


key: CAN_SMILES
value:
  CSc1cc2nc(c3ccc(c(c3)F)F)c(nc2c(c1C)c1cc2c([se]1)c1c([SiH2]2)cc(s1)c1c(SC)c(C)c(c2c1nc(c1ccc(c(c1)F)F)c(n2)c1ccccc1)c1[se]c2c(c1)[SiH2]c1c2scc1)c1ccccc1	


key: InChI
value:
  InChI=1S/C60H38F4N4S4Se2Si2/c1-27-38(69-3)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)58-43(76-45)24-39(72-58)48-55-54(47(28(2)56(48)70-4)41-26-44-59(73-41)57-42(75-44)19-20-71-57)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(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(c3c(c4c(cc3n2C)c(c(s4)c2c(c3c(c(c(c4c(c(c(c5c4nc(c(n5)c4cc(cc(c4)C)F)c4cc(c(c(c4)OC)F)SC)c4c(c5c(c(c(s5)c5c(c6c(c7c(cc6n5C)c(cs7)F)SC)SC)F)n4C)F)OC)SC)s3)F)s2)F)F)SC)SC)F)n1C)F	


key: CAN_SMILES
value:
  CSc1c(c2sc3c(c2F)sc(c3F)c2sc3c(c2F)cc2c(c3SC)c(SC)c(n2C)c2sc3c(c2F)n(c(c3F)c2c(OC)c(SC)c(c3c2nc(c2cc(C)cc(c2)F)c(n3)c2cc(OC)c(c(c2)SC)F)c2sc3c(c2F)scc3F)C)c2nc(c3cc(OC)c(c(c3)SC)F)c(nc2c(c1OC)c1n(C)c2c(c1F)sc(c2F)c1n(C)c2c(c1SC)c(SC)c1c(c2)c(F)cs1)c1cc(C)cc(c1)F	


key: InChI
value:
  InChI=1S/C102H68F14N8O4S16/c1-33-19-35(23-39(103)21-33)67-69(37-25-47(125-7)58(108)49(27-37)129-11)119-73-55(86-64(114)98-85(140-86)44(106)32-138-98)90(133-15)81(127-9)53(71(73)117-67)75-60(110)95-78(123(75)5)63(113)97(143-95)80-89(132-14)52-46(122(80)4)30-42-57(107)99(139-84(42)93(52)136-18)101-66(116)102-100(144-101)65(115)87(141-102)56-74-72(118-68(36-20-34(2)22-40(104)24-36)70(120-74)38-26-48(126-8)59(109)50(28-38)130-12)54(82(128-10)91(56)134-16)76-61(111)94-77(124(76)6)62(112)96(142-94)79-88(131-13)51-45(121(79)3)29-41-43(105)31-137-83(41)92(51)135-17/h19-32H,1-18H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1c(sc2c1n(C)c(c2C)c1sc(cc1C)c1oc(c2c1C(=O)c1c(C2=O)c(sc1SC)F)c1ccc(s1)c1sc2c(c1SC)n(cc2C)C)c1ccc(s1)c1oc(c2c1C(=O)c1c(C2=O)c(sc1F)SC)c1scc(c1)C	


key: InChI
value:
  InChI=1S/C58H38F2N2O6S12/c1-19-15-27(73-18-19)46-31-29(40(63)33-35(42(31)65)57(71-9)79-55(33)59)44(67-46)23-12-14-26(75-23)52-54(70-8)39-50(78-52)22(4)37(62(39)6)48-20(2)16-28(76-48)47-32-30(41(64)34-36(43(32)66)58(72-10)80-56(34)60)45(68-47)24-11-13-25(74-24)51-53(69-7)38-49(77-51)21(3)17-61(38)5/h11-18H,1-10H3


key: SMILES
value:
  c1(c(c(c(c2c1ncc(n2)SC)c1c(c2c(o1)c(cs2)F)OC)SC)F)c1c(c2c(s1)cc(n2C)c1cc(c(c2c(cc(s2)c2c(c3c(c(c(c4c(c(c(c5c4nc(cn5)SC)c4c(c5c(s4)cc(n5C)c4cc(c(c5c(ccs5)SC)o4)OC)SC)F)SC)o3)OC)s2)F)SC)o1)OC)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c1oc3c(c1OC)sc(c3F)c1sc(c(c1)SC)c1oc(cc1OC)c1cc3c(n1C)c(c(s3)c1c(F)c(SC)c(c3c1ncc(n3)SC)c1oc3c(c1OC)scc3F)SC)c(c(c2c1sc2c(c1SC)n(c(c2)c1oc(c(c1)OC)c1sccc1SC)C)F)SC	


key: InChI
value:
  InChI=1S/C70H52F4N6O8S14/c1-79-26(28-19-30(81-3)53(85-28)61-32(89-7)15-16-97-61)17-33-50(79)67(95-13)66(99-33)40-44(73)64(94-12)42(49-47(40)76-23-38(78-49)92-10)56-59(84-6)70-57(88-56)45(74)60(102-70)36-21-35(90-8)62(101-36)54-31(82-4)20-29(86-54)27-18-34-51(80(27)2)68(96-14)65(100-34)39-43(72)63(93-11)41(48-46(39)75-22-37(77-48)91-9)55-58(83-5)69-52(87-55)25(71)24-98-69/h15-24H,1-14H3


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(cc(c2ccc(o2)c2c(c3c(c(c(c4c(c(c(c5c4nc(cn5)SC)c4c(c5c(s4)cc(n5C)c4c(cc(c5ccco5)s4)C)SC)F)SC)o3)OC)s2)F)s1)C)SC	


key: CAN_SMILES
value:
  COc1c2sc(c(c2oc1c1c(SC)c(F)c(c2c1nc(SC)cn2)c1sc2c(c1SC)n(c(c2)c1sc(cc1C)c1ccco1)C)F)c1ccc(o1)c1cc(c(s1)c1cc2c(n1C)c(c(s2)c1c(F)c(SC)c(c2c1ncc(n2)SC)c1oc2c(c1OC)scc2F)SC)C	


key: InChI
value:
  InChI=1S/C68H48F4N6O6S12/c1-25-18-33(30-14-13-17-81-30)92-58(25)28-20-35-50(77(28)3)65(89-11)64(94-35)40-44(71)62(88-10)42(49-47(40)74-23-38(76-49)86-8)54-57(80-6)68-55(84-54)45(72)60(96-68)32-16-15-31(82-32)34-19-26(2)59(93-34)29-21-36-51(78(29)4)66(90-12)63(95-36)39-43(70)61(87-9)41(48-46(39)73-22-37(75-48)85-7)53-56(79-5)67-52(83-53)27(69)24-91-67/h13-24H,1-12H3


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(n2C)c2c(c3c(c(c(c4c(c(c(c5c4nsn5)c4c(c5c(o4)c(c(n5C)c4c(cc(c5cccn5C)o4)C)C)C)SC)C)o3)OC)o2)F)o1)C)C)C	


key: CAN_SMILES
value:
  COc1c2oc(c(c2oc1c1c(C)c(SC)c(c2c1nsn2)c1oc2c(c1C)n(c(c2C)c1oc(cc1C)c1cccn1C)C)F)c1ccc(n1C)c1cc(c(o1)c1c(C)c2c(n1C)c(c(o2)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)C)C	


key: InChI
value:
  InChI=1S/C68H56F2N8O10S4/c1-25-22-37(34-18-17-21-75(34)9)82-52(25)48-31(7)56-50(77(48)11)29(5)55(84-56)42-47-45(72-92-74-47)40(28(4)68(42)90-16)61-64(80-14)66-62(88-61)43(70)59(87-66)36-20-19-35(76(36)10)38-23-26(2)53(83-38)49-32(8)57-51(78(49)12)30(6)54(85-57)41-46-44(71-91-73-46)39(27(3)67(41)89-15)60-63(79-13)65-58(86-60)33(69)24-81-65/h17-24H,1-16H3


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1oc2c(c(c3c(c2OC)c(c(o3)c2ccc(c3c4c(c(o3)c3cc(c(s3)c3oc5c(c(c6c(c5OC)c(co6)C)F)c3F)F)C(=O)c3c(C4=O)coc3F)[se]2)C)F)c1F)F	


key: CAN_SMILES
value:
  COc1c2c(C)c(oc2c(c2c1oc(c2F)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1)F)c1ccc([se]1)c1oc(c2c1C(=O)c1c(C2=O)c(oc1)F)c1cc(c(s1)c1oc2c(c1F)c(F)c1c(c2OC)c(C)co1)F	


key: InChI
value:
  InChI=1S/C60H22F8O14S2Se2/c1-15-12-75-49-26(15)51(73-3)53-34(36(49)63)38(65)55(81-53)57-20(62)11-22(84-57)46-33-31(41(70)18-14-77-60(68)29(18)43(33)72)48(80-46)25-8-7-24(86-25)44-16(2)27-50(78-44)37(64)35-39(66)56(82-54(35)52(27)74-4)58-19(61)10-21(83-58)45-32-30(47(79-45)23-6-5-9-85-23)40(69)17-13-76-59(67)28(17)42(32)71/h5-14H,1-4H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)c1cc(c(s1)c1sc2c(c(c3c(c2OC)c(c(n3C)c2c(cc(c3c4c(c(o3)c3cc(c(s3)c3sc5c(c(c6c(c5OC)c(cn6C)C)OC)c3C)OC)C(=O)c3c(C4=O)ccc(c3)OC)o2)F)C)OC)c1C)OC	


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1cc(c(s1)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cn1C)OC)c1cc(c(o1)c1n(C)c2c(c1C)c(OC)c1c(c2OC)c(C)c(s1)c1sc(cc1OC)c1oc(c2c1C(=O)c1c(C2=O)ccc(c1)OC)c1occ(c1)F)F	


key: InChI
value:
  InChI=1S/C74H54F2N2O16S4/c1-27-25-77(5)54-45(27)67(89-13)73-47(65(54)87-11)29(3)69(97-73)71-42(86-10)24-44(96-71)64-52-50(57(80)35-18-16-33(84-8)21-37(35)59(52)82)62(94-64)40-22-38(76)60(92-40)53-28(2)46-55(78(53)6)66(88-12)48-30(4)70(98-74(48)68(46)90-14)72-41(85-9)23-43(95-72)63-51-49(61(93-63)39-19-31(75)26-91-39)56(79)34-17-15-32(83-7)20-36(34)58(51)81/h15-26H,1-14H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1ccc(c(c1)SC)OC)SC)OC)c1ccc(c2c(cc(o2)c2c(c(c(c3c2nc(c(n3)c2ccc(c(c2)SC)OC)c2cc(c(c(c2)F)SC)F)c2ccc(c3c(cco3)OC)s2)OC)SC)OC)s1	


key: CAN_SMILES
value:
  COc1cc(oc1c1ccc(s1)c1c(OC)c(SC)cc2c1nc(c1ccc(c(c1)SC)OC)c(n2)c1cc(F)c(c(c1)F)SC)c1c(SC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1ccc(c(c1)SC)OC)c1ccc(s1)c1occc1OC	


key: InChI
value:
  InChI=1S/C68H54F4N4O8S8/c1-77-40-15-13-31(27-49(40)85-7)55-57(33-23-35(69)66(88-10)36(70)24-33)73-39-29-51(87-9)64(81-5)53(59(39)74-55)45-18-20-48(92-45)63-44(80-4)30-43(84-63)52-60-61(54(65(82-6)68(52)90-12)46-17-19-47(91-46)62-42(79-3)21-22-83-62)75-56(32-14-16-41(78-2)50(28-32)86-8)58(76-60)34-25-37(71)67(89-11)38(72)26-34/h13-30H,1-12H3


key: CAN_SMILES
value:
  Cc1cnc2c(n1)c(cc(c2c1cc2c([se]1)c1c([SiH2]2)ccs1)F)c1cc2c(s1)c1c([SiH2]2)cc([se]1)c1c(F)ccc2c1ncc(n2)C	


key: InChI
value:
  InChI=1S/C34H20F2N4S2Se2Si2/c1-13-11-37-29-18(39-13)4-3-16(35)26(29)20-9-25-34(44-20)32-23(46-25)8-19(42-32)15-7-17(36)27(30-28(15)40-14(2)12-38-30)21-10-24-33(43-21)31-22(45-24)5-6-41-31/h3-12H,45-46H2,1-2H3


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(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)o4)s3)OC)SC)F)o2)s1	


key: CAN_SMILES
value:
  CSc1cc2nc(c3cc(F)c(c(c3)F)SC)c(nc2c(c1OC)c1cc2c(s1)c1c(o2)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)oc1c2occ1F)F)c1ccc(c(c1)SC)OC	


key: InChI
value:
  InChI=1S/C66H44F6N4O8S8/c1-77-35-13-11-25(19-39(35)85-5)48-50(27-15-29(67)62(88-8)30(68)16-27)73-34-21-43(87-7)56(79-3)44(52(34)74-48)41-23-38-65(92-41)61-59(83-38)47(72)57(84-61)46-54-53(45(58(80-4)66(46)90-10)42-22-37-64(91-42)60-55(82-37)33(71)24-81-60)75-49(26-12-14-36(78-2)40(20-26)86-6)51(76-54)28-17-31(69)63(89-9)32(70)18-28/h11-24H,1-10H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cccc(c1)OC)c1cc(c(c(c1)OC)F)SC)SC)F)c1c(cc(c2c(cc(s2)c2c(c(c(c3c2nc(c(n3)c2cc(c(c(c2)OC)F)SC)c2cccc(c2)OC)c2c(cc(c3c(ccs3)C)s2)OC)F)SC)C)s1)OC	


key: CAN_SMILES
value:
  COc1cccc(c1)c1nc2c(c3cc(c(s3)c3cc(c(s3)c3c(F)c(SC)cc4c3nc(c3cc(OC)c(c(c3)SC)F)c(n4)c3cccc(c3)OC)OC)C)c(SC)c(c(c2nc1c1cc(OC)c(c(c1)SC)F)c1sc(cc1OC)c1sccc1C)F	


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


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)c1ccc(c2c(cc(o2)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)c4ccc(c5c(cco5)OC)s4)SC)C)OC)s3)s2)OC)s1)SC)C	


key: CAN_SMILES
value:
  COc1cc(oc1c1ccc(s1)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)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)c1ccc(s1)c1occc1OC	


key: InChI
value:
  InChI=1S/C98H76F2N4O10S14/c1-41-27-47(31-53(99)83(41)109-11)75-77(49-29-43(3)91(117-15)71(33-49)115-13)101-79-51(65-38-68-60(122-65)24-26-121-68)35-57(106-8)73(81(79)103-75)93-46(6)86-98(128-93)96(120-18)90(114-86)64-22-20-62(124-64)88-59(108-10)37-56(112-88)67-40-70-69(126-67)39-66(125-70)52-36-58(107-9)74(94-45(5)85-97(127-94)95(119-17)89(113-85)63-21-19-61(123-63)87-55(105-7)23-25-111-87)82-80(52)102-78(50-30-44(4)92(118-16)72(34-50)116-14)76(104-82)48-28-42(2)84(110-12)54(100)32-48/h19-40H,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)c1c(c2c(c(c(s2)c2c(cc(c3c4c(c(s3)c3cc(c(o3)c3c(c5c(c(cs5)C)n3C)OC)C)C(=O)c3c(C4=O)c(oc3C)SC)[se]2)SC)C)n1C)OC)C	


key: CAN_SMILES
value:
  CSc1c[se]c(c1)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1oc(c(c1)C)c1c(OC)c2c(n1C)c(c(s2)c1[se]c(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1oc(c(c1)C)c1c(OC)c2c(n1C)c(cs2)C)C	


key: InChI
value:
  InChI=1S/C62H48N2O10S8Se2/c1-21-15-29(73-49(21)43-51(69-9)58-41(63(43)7)23(3)19-79-58)55-36-38(48(68)40-34(46(36)66)26(6)72-62(40)78-14)57(82-55)32-18-30(76-12)60(84-32)53-24(4)42-59(80-53)52(70-10)44(64(42)8)50-22(2)16-28(74-50)54-35-37(56(81-54)31-17-27(75-11)20-83-31)47(67)39-33(45(35)65)25(5)71-61(39)77-13/h15-20H,1-14H3


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)c1cc2c(c3c(c(c(o3)c3c(cc(c4c5c(c([se]4)c4cc(c(s4)c4cc6c(c7c(c(co7)C)o6)n4C)F)C(=O)c4c(C5=O)cc(c(c4)C)OC)[se]3)F)C)o2)n1C)F	


key: CAN_SMILES
value:
  COc1cc2c(cc1C)C(=O)c1c(C2=O)c([se]c1c1cc(c(s1)c1cc2c(n1C)c1c(o2)c(co1)C)F)c1[se]c(c(c1)F)c1oc2c(c1C)oc1c2n(C)c(c1)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/C64H36F4N2O10S2Se4/c1-21-9-26-28(12-35(21)75-7)51(73)45-43(49(26)71)61(85-63(45)41-11-25(65)20-83-41)39-14-31(67)59(81-39)34-18-38-48(70(34)6)57-54(79-38)24(4)55(80-57)60-32(68)16-42(84-60)64-46-44(50(72)27-10-22(2)36(76-8)13-29(27)52(46)74)62(86-64)40-15-30(66)58(82-40)33-17-37-47(69(33)5)56-53(78-37)23(3)19-77-56/h9-20H,1-8H3


key: SMILES
value:
  c1(cc(c(c2c1nc(cn2)SC)c1cc2c(o1)c(co2)OC)SC)c1c(c2c(o1)cc(o2)c1c(c2c(c3c(c(c(o3)c3c(c4c(cc(c5c(cc(c6c5ncc(n6)SC)c5c(c6c(o5)cc(o6)c5c(c6c(c7c(c(co7)F)o6)s5)SC)SC)SC)o4)o3)OC)F)o2)s1)SC)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(cc(c2c1cc2c(o1)c(c(o2)c1oc2c(c1F)oc1c2sc(c1SC)c1oc2c(c1)oc(c2SC)c1cc(SC)c(c2c1nc(SC)cn2)c1cc2c(o1)c(co2)OC)OC)SC)c1oc2c(c1SC)oc(c2)c1sc2c(c1SC)oc1c2occ1F	


key: InChI
value:
  InChI=1S/C66H40F2N4O14S10/c1-73-32-20-75-26-13-24(77-47(26)32)37-33(87-3)11-21(40-42(37)69-17-35(71-40)89-5)44-62(92-8)50-29(80-44)16-31(83-50)60-66(94-10)58-64(96-60)56-52(86-58)39(68)51(85-56)54-53(74-2)48-27(81-54)14-25(78-48)38-34(88-4)12-22(41-43(38)70-18-36(72-41)90-6)45-61(91-7)49-28(79-45)15-30(82-49)59-65(93-9)57-63(95-59)55-46(84-57)23(67)19-76-55/h11-20H,1-10H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cccc(c1)OC)c1cc(c(c(c1)OC)F)SC)SC)F)c1ccc(c2cc(c(n2C)c2c(c(c(c3c2nc(c(n3)c2cc(c(c(c2)OC)F)SC)c2cccc(c2)OC)c2ccc(c3cc(cn3C)OC)n2C)F)SC)OC)n1C	


key: CAN_SMILES
value:
  COc1cccc(c1)c1nc2c(nc1c1cc(OC)c(c(c1)SC)F)c(c(c(c2c1c(OC)cc(n1C)c1ccc(n1C)c1c(F)c(SC)cc2c1nc(c1cc(OC)c(c(c1)SC)F)c(n2)c1cccc(c1)OC)SC)F)c1ccc(n1C)c1cc(cn1C)OC	


key: InChI
value:
  InChI=1S/C70H62F4N8O6S4/c1-79-34-41(85-7)31-47(79)43-21-23-46(80(43)2)56-61(74)70(92-14)57(68-67(56)78-65(38-28-50(87-9)59(72)53(30-38)90-12)63(77-68)36-18-16-20-40(26-36)84-6)69-51(88-10)33-48(82(69)4)44-22-24-45(81(44)3)55-60(73)54(91-13)32-42-66(55)76-64(37-27-49(86-8)58(71)52(29-37)89-11)62(75-42)35-17-15-19-39(25-35)83-5/h15-34H,1-14H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1ccc(c(c1)C)F)c1ccc(c(c1)C)OC)OC)F)c1cc2c(c3c(c(c(o3)c3c(c(c(c4c3nc(c(n4)c3ccc(c(c3)C)OC)c3ccc(c(c3)C)F)c3cc4c(c5c(c(co5)SC)o4)n3C)F)OC)SC)o2)n1C	


key: CAN_SMILES
value:
  CSc1c2oc3c(c2oc1c1c(OC)c(F)c(c2c1nc(c1ccc(c(c1)C)F)c(n2)c1ccc(c(c1)C)OC)c1cc2c(n1C)c1c(o2)c(co1)SC)n(c(c3)c1c(F)c(OC)cc2c1nc(c1ccc(c(c1)C)OC)c(n2)c1ccc(c(c1)C)F)C	


key: InChI
value:
  InChI=1S/C68H52F4N6O8S2/c1-29-21-33(13-17-37(29)69)53-54(35-15-19-42(79-7)31(3)23-35)74-57-39(73-53)25-44(81-9)51(71)48(57)40-26-46-61(78(40)6)66-67(85-46)68(88-12)64(86-66)50-59-58(49(52(72)63(50)82-10)41-27-45-60(77(41)5)65-62(84-45)47(87-11)28-83-65)75-56(36-16-20-43(80-8)32(4)24-36)55(76-59)34-14-18-38(70)30(2)22-34/h13-28H,1-12H3


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)s6)s4)F)C(=O)c4c(C5=O)coc4F)[se]3)F)s2)s1)F	


key: CAN_SMILES
value:
  O=C1c2c(oc(c2C(=O)c2c1coc2F)c1sc(c(c1)F)c1cc2c(s1)c1c(s2)c(co1)F)c1ccc([se]1)c1oc2c(c1F)sc1c2sc(c1)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1	


key: InChI
value:
  InChI=1S/C52H12F6O10S6Se2/c53-15-7-19(70-45(15)20-8-22-48(72-20)43-47(71-22)17(55)12-63-43)39-32-30(35(60)14-11-65-52(58)28(14)37(32)62)41(67-39)25-3-4-26(76-25)42-33(56)50-44(68-42)49-23(74-50)9-21(73-49)46-16(54)6-18(69-46)38-31-29(40(66-38)24-2-1-5-75-24)34(59)13-10-64-51(57)27(13)36(31)61/h1-12H


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cn1C)C)OC)C)c1c(c(c(o1)c1oc2c3sc(cc3[nH]c2c1)c1c(c(c(c2cc(c(c3c2nn(n3)C)c2c(c(c(o2)c2oc3c4sccc4[nH]c3c2)F)C)C)n1C)OC)C)F)C	


key: CAN_SMILES
value:
  COc1c(c2cc(C)c(c3c2nn(n3)C)c2oc(c(c2C)F)c2cc3c(o2)c2c([nH]3)ccs2)n(c(c1C)c1cc2c(s1)c1c([nH]2)cc(o1)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)cc(c1OC)C)C	


key: InChI
value:
  InChI=1S/C56H46F2N10O6S2/c1-21-15-27(45-47(69-11)23(3)20-65(45)7)40-42(63-67(9)61-40)36(21)48-25(5)39(58)54(74-48)34-18-31-52(72-34)56-32(60-31)19-35(76-56)44-26(6)50(70-12)46(66(44)8)28-16-22(2)37(43-41(28)62-68(10)64-43)49-24(4)38(57)53(73-49)33-17-30-51(71-33)55-29(59-30)13-14-75-55/h13-20,59-60H,1-12H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1cc(c(c2c(cc(s2)c2cc(c(c3c2nc(c(n3)c2cc(ccc2)F)c2cc(c(c(c2)SC)OC)SC)c2cc(c(c3c(ccs3)SC)o2)OC)F)SC)o1)OC	


key: CAN_SMILES
value:
  COc1cc(oc1c1sc(cc1SC)c1cc(F)c(c2c1nc(c1cc(SC)c(c(c1)SC)OC)c(n2)c1cccc(c1)F)c1oc(c(c1)OC)c1sccc1SC)c1c(F)ccc2c1nc(c1cccc(c1)F)c(n2)c1cc(SC)c(c(c1)SC)OC	


key: InChI
value:
  InChI=1S/C66H50F4N4O6S8/c1-75-43-29-42(79-61(43)65-45(81-5)19-20-87-65)53-39(70)27-37(58-60(53)74-55(32-14-12-16-36(68)22-32)57(72-58)34-25-49(84-8)64(78-4)50(26-34)85-9)46-30-51(86-10)66(88-46)62-44(76-2)28-41(80-62)52-38(69)17-18-40-59(52)73-54(31-13-11-15-35(67)21-31)56(71-40)33-23-47(82-6)63(77-3)48(24-33)83-7/h11-30H,1-10H3


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(c2C)c(c(o3)c2c(c(c(c3c(c(c(c4c3nc(c(n4)OC)C)c3c(c(c(o3)c3oc4c(c(c5c(c4C)c(co5)C)C)c3F)F)C)C)OC)o2)SC)C)C)C)c1F)F)C	


key: CAN_SMILES
value:
  CSc1c(C)c(oc1c1c(OC)c(C)c(c2c1nc(C)c(n2)OC)c1oc(c(c1C)F)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1)c1oc2c(c1C)c(C)c1c(c2C)c(F)c(o1)c1oc(c(c1F)C)c1c(C)c(OC)c(c2c1nc(OC)c(n2)C)c1occ(c1SC)C	


key: InChI
value:
  InChI=1S/C72H62F4N4O12S2/c1-23-21-85-55-28(6)39-47(75)67(88-57(39)25(3)37(23)55)65-45(73)33(11)60(91-65)42-31(9)54(82-16)44(52-50(42)80-72(84-18)36(14)78-52)64-70(94-20)34(12)62(92-64)61-27(5)38-26(4)58-40(29(7)56(38)87-61)48(76)68(89-58)66-46(74)32(10)59(90-66)41-30(8)53(81-15)43(63-69(93-19)24(2)22-86-63)51-49(41)79-71(83-17)35(13)77-51/h21-22H,1-20H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(cc1)F)F)c1ccccc1)SC)C)c1ccc(c2cc(c(n2C)c2c(c(c(c3c2nc(c(n3)c2ccccc2)c2cc(c(cc2)F)F)c2ccc(c3cc(cn3C)OC)n2C)C)SC)OC)n1C	


key: CAN_SMILES
value:
  COc1cc(n(c1)C)c1ccc(n1C)c1c(C)c(SC)c(c2c1nc(c1ccccc1)c(n2)c1ccc(c(c1)F)F)c1c(OC)cc(n1C)c1ccc(n1C)c1c(C)c(SC)cc2c1nc(c1ccccc1)c(n2)c1ccc(c(c1)F)F	


key: InChI
value:
  InChI=1S/C66H54F4N8O2S2/c1-35-54(81-9)32-46-62(72-58(37-17-13-11-14-18-37)60(71-46)39-21-23-42(67)44(69)29-39)55(35)49-28-26-48(77(49)5)52-33-53(80-8)65(78(52)6)57-64-63(73-59(38-19-15-12-16-20-38)61(74-64)40-22-24-43(68)45(70)30-40)56(36(2)66(57)82-10)50-27-25-47(76(50)4)51-31-41(79-7)34-75(51)3/h11-34H,1-10H3


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1oc2c3sc(cc3[GeH2]c2c1)c1c(c(c(c2c(c(c(c3c2non3)c2c(cc(o2)c2oc3c4sccc4[GeH2]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([GeH2]2)ccs1)c1cc2c(s1)c1c([GeH2]2)cc(o1)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F	


key: InChI
value:
  InChI=1S/C48H24F6Ge2N4O8S6/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/h5-12H,55-56H2,1-4H3


key: SMILES
value:
  c1(c(c(c(c2c1nccn2)c1c(c(co1)SC)SC)F)F)c1c(c(c(n1C)c1c(c2c(c3c(c(c(o3)c3c(c(c(c4c(c(c(c5c4nccn5)c4c(c(c(n4C)c4c(c5c(c6c(c(co6)F)o5)s4)SC)OC)C)F)F)o3)SC)SC)F)o2)s1)SC)OC)C	


key: CAN_SMILES
value:
  CSc1c(oc(c1SC)c1c(F)c(F)c(c2c1nccn2)c1c(C)c(c(n1C)c1sc2c(c1SC)oc1c2occ1F)OC)c1oc2c(c1F)oc1c2sc(c1SC)c1c(OC)c(c(n1C)c1c(F)c(F)c(c2c1nccn2)c1occ(c1SC)SC)C	


key: InChI
value:
  InChI=1S/C60H42F6N6O8S8/c1-19-36(23-27(62)29(64)25(34-32(23)67-13-15-69-34)43-52(82-8)22(81-7)18-76-43)72(4)39(41(19)74-6)54-60(86-12)51-56(88-54)48-45(80-51)31(66)46(79-48)49-58(84-10)57(83-9)44(78-49)26-30(65)28(63)24(33-35(26)70-16-14-68-33)37-20(2)40(73-5)38(71(37)3)53-59(85-11)50-55(87-53)47-42(77-50)21(61)17-75-47/h13-18H,1-12H3


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)c1ccc(c2cc(c(o2)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)c4ccc(c5cc(co5)SC)s4)SC)C)OC)s3)s2)SC)s1)SC)C	


key: CAN_SMILES
value:
  CSc1coc(c1)c1ccc(s1)c1oc2c(c1SC)sc(c2C)c1c(OC)cc(c2c1nc(c1cc(C)c(c(c1)F)OC)c(n2)c1cc(C)c(c(c1)SC)SC)c1cc2c(s1)cc(s2)c1oc(cc1SC)c1ccc(s1)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/C98H76F2N4O8S16/c1-41-25-47(29-54(99)84(41)107-9)76-78(49-27-43(3)91(117-15)72(31-49)115-13)101-80-52(65-37-67-62(124-65)23-24-121-67)34-58(105-7)74(82(80)103-76)93-46(6)87-98(128-93)96(120-18)90(112-87)64-22-20-61(123-64)57-36-70(114-12)88(110-57)71-39-69-68(126-71)38-66(125-69)53-35-59(106-8)75(94-45(5)86-97(127-94)95(119-17)89(111-86)63-21-19-60(122-63)56-33-51(113-11)40-109-56)83-81(53)102-79(50-28-44(4)92(118-16)73(32-50)116-14)77(104-83)48-26-42(2)85(108-10)55(100)30-48/h19-40H,1-18H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)F)C)c1c(c2c(o1)c(cn2C)SC)C)SC)c1cc2c(o1)c(c(s2)c1cc(c(c2ccc(s2)c2c(c3c(c(c(c4cc(c(c5c4nc(c(n5)C)F)c4cc5c(o4)c(c(s5)c4cc(c(c5cccs5)s4)SC)SC)SC)o3)C)n2C)SC)s1)SC)SC	


key: CAN_SMILES
value:
  CSc1c(c2ccc(s2)c2sc(cc2SC)c2sc3c(c2SC)oc(c3)c2c(SC)cc(c3c2nc(C)c(n3)F)c2oc3c(c2C)n(cc3SC)C)n(c2c1oc(c2C)c1cc(SC)c(c2c1nc(F)c(n2)C)c1cc2c(o1)c(c(s2)c1cc(c(s1)c1cccs1)SC)SC)C	


key: InChI
value:
  InChI=1S/C70H54F2N6O4S14/c1-27-53-58(46(87-11)26-77(53)5)81-56(27)31-20-38(83-7)47(51-49(31)75-69(71)29(3)73-51)33-23-41-60(80-33)68(90-14)65(94-41)45-25-43(86-10)63(96-45)37-18-17-35(92-37)55-66(88-12)61-54(78(55)6)28(2)57(82-61)32-21-39(84-8)48(52-50(32)76-70(72)30(4)74-52)34-22-40-59(79-34)67(89-13)64(93-40)44-24-42(85-9)62(95-44)36-16-15-19-91-36/h15-26H,1-14H3


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(c(s3)c2ccc(c3c4c(c(o3)c3cc(c(s3)c3sc5c(c(c6c(c5c5cc(cc(c5)F)SC)c(cs6)C)c5cc(cc(c5)C)OC)c3)F)C(=O)c3c(C4=O)coc3F)[se]2)C)c2cc(cc(c2)C)OC)c1)F	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2sc(c(c2c(c2c1cc(s2)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1)c1cc(F)cc(c1)SC)C)c1ccc([se]1)c1oc(c2c1C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1cc2c(s1)c(c1cc(F)cc(c1)SC)c1c(c2c2cc(C)cc(c2)OC)scc1C)F	


key: InChI
value:
  InChI=1S/C88H48F6O10S8Se2/c1-33-14-37(20-43(16-33)99-5)62-47-26-55(110-81(47)64(60-35(3)32-107-85(60)62)39-18-41(89)24-45(22-39)105-7)83-52(92)29-54(109-83)77-71-69(73(96)50-31-102-88(94)67(50)75(71)98)79(104-77)58-11-12-59(114-58)80-36(4)61-65(40-19-42(90)25-46(23-40)106-8)82-48(63(86(61)112-80)38-15-34(2)17-44(21-38)100-6)27-56(111-82)84-51(91)28-53(108-84)76-70-68(78(103-76)57-10-9-13-113-57)72(95)49-30-101-87(93)66(49)74(70)97/h9-32H,1-8H3


key: InChI
value:
  InChI=1S/C30H18F2Ge2N6O2S2/c1-39-35-19-6-11(31)5-12(24(19)36-39)20-9-17-28(42-20)30-18(34-17)10-22(44-30)23-14(32)7-13(25-26(23)38-40(2)37-25)21-8-16-27(41-21)29-15(33-16)3-4-43-29/h3-10H,33-34H2,1-2H3


key: SMILES
value:
  c1(c(c(cc2nonc12)SC)SC)c1oc2c3[se]c(cc3[SiH2]c2c1)c1c(c(c(c2c1non2)c1oc2c3[se]ccc3[SiH2]c2c1)SC)SC	


key: CAN_SMILES
value:
  CSc1c(c2cc3c([se]2)c2c([SiH2]3)cc(o2)c2c(SC)c(SC)cc3c2non3)c2nonc2c(c1SC)c1cc2c(o1)c1c([SiH2]2)cc[se]1	


key: InChI
value:
  InChI=1S/C32H22N4O4S4Se2Si2/c1-41-14-7-11-23(34-39-33-11)20(28(14)42-2)12-8-18-27(38-12)32-19(48-18)10-15(46-32)22-25-24(35-40-36-25)21(29(43-3)30(22)44-4)13-9-17-26(37-13)31-16(47-17)5-6-45-31/h5-10H,47-48H2,1-4H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cccc(c1)OC)c1cc(c(c(c1)OC)F)SC)SC)F)c1cc2c(c3c(c(c(o3)c3c(c(c(c4c3nc(c(n4)c3cc(c(c(c3)OC)F)SC)c3cccc(c3)OC)c3cc4c(c5c(c(co5)C)o4)n3C)F)SC)C)o2)n1C	


key: CAN_SMILES
value:
  COc1cccc(c1)c1nc2c(c(SC)c(c(c2nc1c1cc(OC)c(c(c1)SC)F)c1cc2c(n1C)c1c(o2)c(co1)C)F)c1oc2c(c1C)oc1c2n(C)c(c1)c1c(F)c(SC)cc2c1nc(c1cc(OC)c(c(c1)SC)F)c(n2)c1cccc(c1)OC	


key: InChI
value:
  InChI=1S/C68H52F4N6O8S4/c1-29-28-83-66-61-42(84-63(29)66)27-39(77(61)3)48-53(72)68(90-12)49(60-59(48)76-57(34-22-41(82-8)51(70)45(24-34)88-10)55(75-60)32-16-14-18-36(20-32)80-6)64-30(2)65-67(86-64)62-43(85-65)26-38(78(62)4)47-52(71)46(89-11)25-37-58(47)74-56(33-21-40(81-7)50(69)44(23-33)87-9)54(73-37)31-15-13-17-35(19-31)79-5/h13-28H,1-12H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cccc(c1)OC)c1cc(c(c(c1)OC)F)SC)SC)F)c1c(c2c(c(c(s2)c2c(c(c(c3c2nc(c(n3)c2cc(c(c(c2)OC)F)SC)c2cccc(c2)OC)c2c(c3c(c(cs3)C)n2C)OC)F)SC)C)n1C)OC	


key: CAN_SMILES
value:
  COc1cccc(c1)c1nc2c(nc1c1cc(OC)c(c(c1)SC)F)c(c(c(c2c1sc2c(c1C)n(c(c2OC)c1c(F)c(SC)cc2c1nc(c1cc(OC)c(c(c1)SC)F)c(n2)c1cccc(c1)OC)C)SC)F)c1c(OC)c2c(n1C)c(cs2)C	


key: InChI
value:
  InChI=1S/C66H56F4N6O6S6/c1-29-28-87-65-57(29)75(3)60(61(65)81-9)44-49(70)64(86-14)45(56-55(44)74-53(34-24-39(80-8)47(68)41(26-34)84-12)51(73-56)32-18-16-20-36(22-32)78-6)63-30(2)58-66(88-63)62(82-10)59(76(58)4)43-48(69)42(85-13)27-37-54(43)72-52(33-23-38(79-7)46(67)40(25-33)83-11)50(71-37)31-17-15-19-35(21-31)77-5/h15-28H,1-14H3


key: SMILES
value:
  c1(c(c(cc2c1ncc(n2)SC)OC)F)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)cc(s3)c2c(c(c(c3c2nc(cn3)SC)c2oc3c(c(c4c(c3c3cc(c(o3)C)SC)ccs4)c3cc(c(F)n3C)OC)c2OC)F)OC)c2cc(c(F)n2C)OC)c1OC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c1cc3c(s1)c(c1cc(c(n1C)F)OC)c1c(c3c3cc(c(o3)C)SC)oc(c1OC)c1c(F)c(OC)cc3c1ncc(n3)SC)c(c(c2c1oc2c(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)ccs1)F)OC	


key: InChI
value:
  InChI=1S/C66H52F4N6O10S6/c1-25-37(87-11)21-32(83-25)42-27-15-16-91-63(27)44(30-19-35(78-6)65(69)75(30)3)47-56(42)85-62(59(47)81-9)50-52(68)58(80-8)46(55-54(50)72-24-41(74-55)90-14)39-17-28-43(33-22-38(88-12)26(2)84-33)57-48(45(64(28)92-39)31-20-36(79-7)66(70)76(31)4)60(82-10)61(86-57)49-51(67)34(77-5)18-29-53(49)71-23-40(73-29)89-13/h15-24H,1-14H3


key: SMILES
value:
  c1(c(cc(c2nonc12)c1c(c(cn1C)F)SC)F)c1c(c(c(s1)c1sc2c(c(c3c(c2c2ccc(s2)F)c(c(s3)c2c(c(c(c3cc(c(c4c3non4)c3c(c(c(s3)c3sc4c(c(c5c(c4c4ccc(s4)F)c(cs5)SC)c4cc(c(s4)OC)C)c3)SC)C)F)n2C)SC)F)SC)c2cc(c(s2)OC)C)c1)SC)C	


key: CAN_SMILES
value:
  COc1sc(cc1C)c1c2sc(c(c2c(c2c1cc(s2)c1sc(c(c1SC)C)c1c(F)cc(c2c1non2)c1n(C)cc(c1SC)F)c1ccc(s1)F)SC)c1c(F)c(c(n1C)c1cc(F)c(c2c1non2)c1sc(c(c1C)SC)c1cc2c(s1)c(c1ccc(s1)F)c1c(c2c2cc(c(s2)OC)C)scc1SC)SC	


key: InChI
value:
  InChI=1S/C78H54F6N6O4S16/c1-27-19-40(106-77(27)91-7)47-31-23-42(104-67(31)51(38-15-17-45(82)102-38)53-44(95-9)26-101-72(47)53)70-65(96-10)30(4)64(109-70)50-36(80)22-34(57-59(50)88-94-86-57)61-75(100-14)55(84)62(90(61)6)76-74(99-13)54-52(39-16-18-46(83)103-39)68-32(48(73(54)110-76)41-20-28(2)78(92-8)107-41)24-43(105-68)71-66(97-11)29(3)63(108-71)49-35(79)21-33(56-58(49)87-93-85-56)60-69(98-12)37(81)25-89(60)5/h15-26H,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(c(c(s2)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)c4c(c5c(c(cs5)C)n4C)OC)SC)C)OC)s3)s2)C)n1C)OC)SC)C	


key: CAN_SMILES
value:
  CSc1cc(cc(c1SC)C)c1nc2c(cc(c(c2nc1c1cc(C)c(c(c1)F)OC)c1sc2c(c1C)oc(c2SC)c1c(OC)c2c(n1C)c(cs2)C)OC)c1cc2c(s1)cc(s2)c1sc2c(c1C)n(c(c2OC)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)C	


key: InChI
value:
  InChI=1S/C98H82F2N6O8S14/c1-39-25-47(29-53(99)80(39)109-13)68-70(49-27-41(3)88(117-19)63(31-49)115-17)101-72-51(58-35-60-57(123-58)23-24-121-60)33-55(107-11)66(74(72)103-68)92-46(8)83-98(128-92)96(120-22)87(114-83)79-85(112-16)94-77(106(79)10)44(6)90(126-94)65-37-62-61(125-65)36-59(124-62)52-34-56(108-12)67(91-45(7)82-97(127-91)95(119-21)86(113-82)78-84(111-15)93-76(105(78)9)43(5)38-122-93)75-73(52)102-71(50-28-42(4)89(118-20)64(32-50)116-18)69(104-75)48-26-40(2)81(110-14)54(100)30-48/h23-38H,1-22H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1[se]c2c3oc(cc3[SiH2]c2c1)c1cc(c(c2c1nc(c(n2)c1cc(ccc1)F)c1cc(c(c(c1)SC)OC)SC)c1[se]c2c3occc3[SiH2]c2c1)F	


key: CAN_SMILES
value:
  CSc1cc(cc(c1OC)SC)c1nc2ccc(c(c2nc1c1cccc(c1)F)c1[se]c2c(c1)[SiH2]c1c2oc(c1)c1cc(F)c(c2c1nc(c1cc(SC)c(c(c1)SC)OC)c(n2)c1cccc(c1)F)c1[se]c2c(c1)[SiH2]c1c2occ1)F	


key: InChI
value:
  InChI=1S/C62H42F4N4O4S4Se2Si2/c1-71-57-38(75-3)19-29(20-39(57)76-4)52-50(27-9-7-11-31(63)17-27)69-55-36(67-52)14-13-34(65)48(55)42-25-47-62(80-42)60-45(82-47)24-37(74-60)33-23-35(66)49(43-26-46-61(79-43)59-44(81-46)15-16-73-59)56-54(33)68-53(51(70-56)28-10-8-12-32(64)18-28)30-21-40(77-5)58(72-2)41(22-30)78-6/h7-26H,81-82H2,1-6H3


key: InChI
value:
  InChI=1S/C32H24Ge2N6O2S2/c1-13-5-6-20-27(37-39(3)35-20)24(13)21-11-18-30(42-21)32-19(34-18)12-23(44-32)15-9-14(2)25(28-26(15)36-40(4)38-28)22-10-17-29(41-22)31-16(33-17)7-8-43-31/h5-12H,33-34H2,1-4H3


key: InChI
value:
  InChI=1S/C30H18Ge2N4O2S4Se2/c1-37-17-4-3-16-25(35-41-33-16)22(17)19-9-14-28(40-19)30-15(32-14)10-21(44-30)11-7-18(38-2)23(26-24(11)34-42-36-26)20-8-13-27(39-20)29-12(31-13)5-6-43-29/h3-10H,31-32H2,1-2H3


key: SMILES
value:
  c1(c(c(cc2nonc12)SC)SC)c1[se]c2c3sc(cc3[SiH2]c2c1)c1c(c(c(c2c1non2)c1[se]c2c3sccc3[SiH2]c2c1)SC)SC	


key: CAN_SMILES
value:
  CSc1c(c2cc3c(s2)c2c([SiH2]3)cc([se]2)c2c(SC)c(SC)cc3c2non3)c2nonc2c(c1SC)c1cc2c([se]1)c1c([SiH2]2)ccs1	


key: InChI
value:
  InChI=1S/C32H22N4O2S6Se2Si2/c1-39-13-7-11-23(34-37-33-11)21(26(13)40-2)14-9-19-32(46-14)28-17(48-19)8-12(44-28)20-24-25(36-38-35-24)22(30(42-4)29(20)41-3)15-10-18-31(45-15)27-16(47-18)5-6-43-27/h5-10H,47-48H2,1-4H3


key: CAN_SMILES
value:
  Fc1cc2nn(nc2c(c1)c1cc2c([se]1)c1c([nH]2)cc([se]1)c1c(F)cc(c2c1nn(n2)C)c1cc2c([se]1)c1c([nH]2)cc[se]1)C	


key: InChI
value:
  InChI=1S/C30H16F2N8Se4/c1-39-35-16-6-11(31)5-12(24(16)36-39)20-9-18-29(43-20)30-19(34-18)10-22(44-30)23-14(32)7-13(25-26(23)38-40(2)37-25)21-8-17-28(42-21)27-15(33-17)3-4-41-27/h3-10,33-34H,1-2H3


key: SMILES
value:
  c1(c(c(cc2nonc12)OC)OC)c1sc2c3[se]c(cc3[GeH2]c2c1)c1c(c(c(c2c1non2)c1sc2c3[se]ccc3[GeH2]c2c1)OC)OC	


key: CAN_SMILES
value:
  COc1c(c2cc3c([se]2)c2c([GeH2]3)cc(s2)c2c(OC)c(OC)cc3c2non3)c2nonc2c(c1OC)c1cc2c(s1)c1c([GeH2]2)cc[se]1	


key: InChI
value:
  InChI=1S/C32H22Ge2N4O6S2Se2/c1-39-16-10-15-23(36-43-35-15)20(26(16)40-2)17-8-13-30(46-17)32-14(34-13)9-19(48-32)22-25-24(37-44-38-25)21(27(41-3)28(22)42-4)18-7-12-29(45-18)31-11(33-12)5-6-47-31/h5-10H,33-34H2,1-4H3


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)c1[se]c2c3[se]c(cc3[nH]c2c1)c1c(cc(c2c3c(c([se]2)c2cc(c(o2)c2[se]c4c5[se]ccc5[nH]c4c2)F)C(=O)c2c(C3=O)cc(c(c2)SC)OC)[se]1)F)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C60H28F4N2O8S2Se8/c1-71-31-8-20-22(10-35(31)75-3)48(69)42-44(46(20)67)59(39-7-19(61)18-78-39)83-57(42)33-12-25(63)51(73-33)38-16-29-55(80-38)56-30(66-29)17-41(82-56)52-26(64)14-40(81-52)60-45-43(49(70)23-11-36(76-4)32(72-2)9-21(23)47(45)68)58(84-60)34-13-24(62)50(74-34)37-15-28-54(79-37)53-27(65-28)5-6-77-53/h5-18,65-66H,1-4H3


key: InChI
value:
  InChI=1S/C38H28F2N4O4S4/c1-17-12-20(23-8-7-11-51-23)47-37(17)30-32(40)38(46-4)28(35-34(30)42-16-27(44-35)50-6)25-10-9-24(52-25)21-13-18(2)36(48-21)29-31(39)22(45-3)14-19-33(29)41-15-26(43-19)49-5/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)c1sc2c3[se]c(cc3[GeH2]c2c1)c1c(cc(c2c3c(c([se]2)c2cc(c(s2)c2sc4c5[se]ccc5[GeH2]c4c2)F)C(=O)c2c(C3=O)cc(c(c2)C)OC)[se]1)F)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C60H30F4Ge2O6S4Se6/c1-19-7-22-24(10-33(19)71-3)48(69)44-42(46(22)67)57(81-59(44)39-9-21(61)18-78-39)37-12-27(63)51(75-37)36-16-31-53(74-36)56-32(66-31)17-41(80-56)54-28(64)14-40(79-54)60-45-43(47(68)23-8-20(2)34(72-4)11-25(23)49(45)70)58(82-60)38-13-26(62)50(76-38)35-15-30-52(73-35)55-29(65-30)5-6-77-55/h5-18H,65-66H2,1-4H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)OC)SC)OC)c1c(c2c(c(c(s2)c2cc(c(c3c2nc(c(n3)SC)OC)c2c(c3c(c(cs3)F)s2)F)OC)F)s1)F	


key: InChI
value:
  InChI=1S/C34H22F4N4O4S6/c1-43-14-8-7-13-22(41-33(47-5)31(39-13)45-3)16(14)26-20(38)30-29(52-26)18(36)24(50-30)11-9-15(44-2)17(23-21(11)40-32(46-4)34(42-23)48-6)27-19(37)28-25(51-27)12(35)10-49-28/h7-10H,1-6H3


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:
  InChI=1S/C38H34F2N6O4S4/c1-15-14-53-37-29(15)45(3)32(34(37)49-7)22-25(40)33(48-6)23(28-27(22)42-13-20(44-28)52-10)36-16(2)30-38(54-36)35(50-8)31(46(30)4)21-24(39)18(47-5)11-17-26(21)41-12-19(43-17)51-9/h11-14H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1cc(n(c1)C)c1ccc(s1)c1sc(cc1F)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)C)OC)c1cc(c([se]1)c1c(SC)cc(n1C)c1ccc(s1)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/C64H40F4N2O6S6Se4/c1-25-13-29-31(17-38(25)75-5)56(73)51-49(54(29)71)61(85-63(51)47-15-27(65)24-83-47)45-19-34(67)59(81-45)43-12-10-41(80-43)37-22-44(78-8)53(70(37)4)60-35(68)21-48(84-60)64-52-50(55(72)30-14-26(2)39(76-6)18-32(30)57(52)74)62(86-64)46-20-33(66)58(82-46)42-11-9-40(79-42)36-16-28(77-7)23-69(36)3/h9-24H,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)c1c(cc(c2ccc(o2)c2c(cc(c3c4c(c(s3)c3cc(c(o3)c3c(cc(c5ccco5)s3)C)F)C(=O)c3c(C4=O)cc(c(c3)C)OC)o2)SC)s1)C)F	


key: CAN_SMILES
value:
  CSc1coc(c1)c1sc(c2c1C(=O)c1cc(OC)c(cc1C2=O)C)c1cc(c(o1)c1sc(cc1C)c1ccc(o1)c1oc(cc1SC)c1sc(c2c1C(=O)c1cc(OC)c(cc1C2=O)C)c1oc(c(c1)F)c1sc(cc1C)c1ccco1)F	


key: InChI
value:
  InChI=1S/C64H40F2O12S6/c1-25-14-30-32(19-39(25)71-5)54(69)48-49(52(30)67)62(83-61(48)41-18-29(79-7)24-74-41)42-21-35(66)57(76-42)60-28(4)17-46(82-60)37-11-12-38(75-37)58-47(80-8)23-44(78-58)64-51-50(53(68)31-15-26(2)40(72-6)20-33(31)55(51)70)63(84-64)43-22-34(65)56(77-43)59-27(3)16-45(81-59)36-10-9-13-73-36/h9-24H,1-8H3


key: InChI
value:
  InChI=1S/C32H18F2N6O2S4/c1-11-5-6-15-24(37-39(3)35-15)20(11)16-8-19-31(44-16)28-32(46-19)22(34)26(42-28)13-7-12(2)21(25-23(13)36-40(4)38-25)17-9-18-30(43-17)27-29(45-18)14(33)10-41-27/h5-10H,1-4H3


key: SMILES
value:
  c1(cc(cc2c1nc(c(n2)SC)SC)F)c1c(c2c(c(c(n2C)c2c(cc(c3c2nc(c(n3)SC)SC)c2c(c3c(c(cn3C)C)s2)SC)F)C)s1)SC	


key: InChI
value:
  InChI=1S/C38H34F2N6S8/c1-15-14-45(3)27-29(15)53-32(33(27)47-5)19-13-20(40)22(25-24(19)43-37(51-9)38(44-25)52-10)26-16(2)30-28(46(26)4)34(48-6)31(54-30)18-11-17(39)12-21-23(18)42-36(50-8)35(41-21)49-7/h11-14H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C60H28F4N2O8S4Se4/c1-19-7-22-24(10-33(19)71-3)48(69)44-42(46(22)67)57(81-59(44)40-9-21(61)18-79-40)37-12-27(63)53(76-37)36-16-31-51(74-36)55-32(66-31)17-39(78-55)56-28(64)14-41(80-56)60-45-43(47(68)23-8-20(2)34(72-4)11-25(23)49(45)70)58(82-60)38-13-26(62)52(77-38)35-15-30-50(73-35)54-29(65-30)5-6-75-54/h5-18,65-66H,1-4H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)F)SC)SC)SC)c1cc(c(c2c(cc(s2)c2c(c(c(c3c2nc(c(n3)SC)F)c2cc(c(c3c(ccs3)SC)o2)OC)SC)SC)SC)o1)OC	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C42H36F2N4O4S10/c1-49-20-15-19(51-32(20)35-22(53-3)11-12-61-35)27-30-31(46-40(44)42(48-30)60-10)28(38(58-8)37(27)57-7)23-16-25(55-5)36(62-23)33-21(50-2)14-18(52-33)26-29-17(13-24(54-4)34(26)56-6)45-39(43)41(47-29)59-9/h11-16H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C38H26F2N6O2S8/c1-49-21-11-14-25(45-37(53-5)35(39)43-14)22(32(21)50-2)18-10-16-29(48-18)31-17(42-16)12-20(56-31)24-27-26(46-38(54-6)36(40)44-27)23(33(51-3)34(24)52-4)19-9-15-28(47-19)30-13(41-15)7-8-55-30/h7-12,41-42H,1-6H3


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(c2OC)c(c(n3C)c2c(cc(c3c4c(c(o3)c3cc(c(o3)c3sc5c(c(c6c(c5OC)c(cn6C)C)OC)c3C)F)C(=O)c3c(C4=O)c([se]c3OC)C)s2)SC)C)OC)c1C)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C72H54F2N2O14S6Se2/c1-23-21-75(7)50-37(23)64(83-11)69-39(62(50)81-9)25(3)66(95-69)56-31(74)19-33(88-56)59-44-46(53(78)42-28(6)98-72(86-14)48(42)55(44)80)61(90-59)35-20-36(92-16)68(94-35)49-24(2)38-51(76(49)8)63(82-10)40-26(4)67(96-70(40)65(38)84-12)57-30(73)18-32(87-57)58-43-45(60(89-58)34-17-29(91-15)22-93-34)52(77)41-27(5)97-71(85-13)47(41)54(43)79/h17-22H,1-16H3


key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1cc2nc(c3ccc(c(c3)F)F)c(nc2c(c1C)c1sc2c(c1)[GeH2]c1c2[se]c(c1)c1c(SC)c(C)c(c2c1nc(c1ccc(c(c1)F)F)c(n2)c1ccccc1)c1sc2c(c1)[GeH2]c1c2[se]cc1)c1ccccc1	


key: InChI
value:
  InChI=1S/C60H38F4Ge2N4S4Se2/c1-27-42(71-3)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)43-24-39-58(74-43)60-40(66-39)25-45(76-60)48-55-54(47(28(2)56(48)72-4)44-23-38-57(73-44)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:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C38H22F6N6O8/c1-49-10-13(39)11-7-15-18(24(41)31(11)49)26(43)36(55-15)22-30-29(47-58-48-30)20(37(53-5)38(22)54-6)33-23(40)12-8-16-19(25(42)32(12)50(33)2)27(44)35(56-16)21-28-14(45-57-46-28)9-17(51-3)34(21)52-4/h7-10H,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(c(c(n2C)c2c(c(c(c3c2nc(c(n3)c2ccc(c(c2)C)OC)c2ccc(c(c2)C)F)c2c(c3c(c(cn3C)C)s2)SC)F)OC)C)s1)SC	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C66H56F4N6O4S4/c1-29-23-35(15-19-39(29)67)50-51(37-17-21-42(77-9)31(3)25-37)72-54-41(71-50)27-44(79-11)48(69)45(54)63-66(82-14)59-62(84-63)34(6)57(76(59)8)47-56-55(46(49(70)60(47)80-12)64-65(81-13)58-61(83-64)33(5)28-75(58)7)73-53(38-18-22-43(78-10)32(4)26-38)52(74-56)36-16-20-40(68)30(2)24-36/h15-28H,1-14H3


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)C1=C([C@@H]([C@@]2(N1C2)c1cc2c(C(=O)/C(=C(\C#C/C(=C(\C(=O)c3cc(c(c4c3nsn4)C3=C([C@@H]([C@@]4(N3C4)c3cc4c(c5c(c(co5)C)o4)n3C)C)SC)C)/F)/SC)/C)/O2)n1C)C)SC	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C58H48F2N8O6S6/c1-23(51-50(70)45-31(73-51)17-35(65(45)7)57-21-67(57)48(55(77-11)27(57)5)38-25(3)16-30(42-44(38)64-80-62-42)53-40(60)34(76-10)20-72-53)13-14-33(75-9)39(59)49(69)29-15-24(2)37(43-41(29)61-79-63-43)47-56(78-12)28(6)58(22-68(47)58)36-18-32-46(66(36)8)54-52(74-32)26(4)19-71-54/h15-20,27-28H,21-22H2,1-12H3/b39-33-,51-23+/t27-,28-,57+,58+,67-,68-/m0/s1


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)OC)SC)OC)c1ccc(c2cc(c(o2)c2cc(c(c3c2nc(c(n3)SC)OC)c2ccc(c3cc(co3)SC)s2)OC)SC)s1	


key: InChI
value:
  InChI=1S/C40H34N4O6S6/c1-45-22-10-9-21-34(43-39(53-7)37(41-21)47-3)31(22)28-14-12-27(56-28)24-17-30(52-6)36(50-24)20-16-25(46-2)32(35-33(20)42-38(48-4)40(44-35)54-8)29-13-11-26(55-29)23-15-19(51-5)18-49-23/h9-18H,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)c1cc2c(c3c(c(c(o3)c3ccc(c4c5c(c([se]4)c4cc(c([se]4)c4cc6c(c7c(c(co7)F)o6)s4)OC)C(=O)c4c(C5=O)cc(c(c4)OC)F)[se]3)F)o2)s1)OC	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C60H26F4O12S2Se6/c1-69-26-12-21-19(10-23(26)61)44(65)39-41(46(21)67)59(83-57(39)35-6-5-9-79-35)37-16-31(72-4)56(81-37)33-15-29-54(78-33)52-50(75-29)43(64)49(76-52)34-7-8-36(80-34)58-40-42(47(68)22-13-27(70-2)24(62)11-20(22)45(40)66)60(84-58)38-17-30(71-3)55(82-38)32-14-28-53(77-32)51-48(74-28)25(63)18-73-51/h5-18H,1-4H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1cc(sc1c1cc2c(o1)c1c([SiH2]2)cc([se]1)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)csc1C)c1cc(c(s1)c1cc2c(o1)c1c([SiH2]2)cc[se]1)SC)c1oc(c2c1C(=O)c1csc(c1C2=O)C)c1scc(c1)F	


key: InChI
value:
  InChI=1S/C56H28F2O8S8Se2Si2/c1-17-36-20(15-69-17)42(59)38-40(44(36)61)46(25-7-19(57)14-71-25)65-48(38)27-11-30(68-4)54(73-27)24-10-34-51(64-24)56-35(78-34)13-31(76-56)52-22(58)8-26(72-52)47-41-39(43(60)21-16-70-18(2)37(21)45(41)62)49(66-47)28-12-29(67-3)53(74-28)23-9-33-50(63-23)55-32(77-33)5-6-75-55/h5-16H,77-78H2,1-4H3


key: InChI
value:
  InChI=1S/C34H28F2N8O4/c1-41-16-18(45-5)13-23(41)27-9-7-26(47-27)20-14-21(36)30(33-32(20)39-44(4)40-33)34-29(46-6)15-24(42(34)2)28-10-8-25(48-28)19-11-17(35)12-22-31(19)38-43(3)37-22/h7-16H,1-6H3


key: InChI
value:
  InChI=1S/C34H32N6O8S4/c1-39-22-14(41-3)12-45-30(22)27(42-4)24(39)17-20-21(38-48-37-20)18(34(52-10)33(17)51-9)26-29(44-6)25-31(46-26)28(43-5)23(40(25)2)16-19-13(35-47-36-19)11-15(49-7)32(16)50-8/h11-12H,1-10H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1ccc(c(c1)C)F)c1ccc(c(c1)C)OC)OC)F)c1oc2c3sc(cc3[nH]c2c1)c1c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)OC)c1ccc(c(c1)C)F)c1oc2c3sccc3[nH]c2c1)F)OC	


key: CAN_SMILES
value:
  COc1ccc(cc1C)c1nc2c(c3oc4c(c3)[nH]c3c4scc3)c(F)c(c(c2nc1c1ccc(c(c1)C)F)c1sc2c(c1)[nH]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/C64H44F4N6O6S2/c1-27-19-31(9-13-35(27)65)53-54(33-11-15-42(75-5)29(3)21-33)72-57-38(71-53)23-46(77-7)51(67)48(57)44-25-40-61(80-44)64-41(70-40)26-47(82-64)50-59-58(49(52(68)62(50)78-8)45-24-39-60(79-45)63-37(69-39)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/h9-26,69-70H,1-8H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)F)C(=O)c1c(scc1C2=O)C)c1cc(c(s1)c1cc2c(c3c(c(c(o3)c3c(cc(c4c5c(c(o4)c4cc(c(s4)c4cc6c(c7c(c(co7)F)o6)s4)SC)C(=O)c4c(C5=O)c(sc4)C)s3)F)F)o2)s1)SC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1sc2c(c1)oc1c2oc(c1F)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)csc1C)c1sc(c(c1)SC)c1cc2c(s1)c1c(o2)c(co1)F)c1oc(c2c1C(=O)c1c(C2=O)c(sc1)C)c1scc(c1)F	


key: InChI
value:
  InChI=1S/C56H22F4O10S10/c1-15-32-18(13-73-15)39(61)34-36(41(32)63)44(24-5-17(57)12-75-24)68-46(34)26-9-29(72-4)56(77-26)31-8-23-54(80-31)51-48(67-23)38(60)49(70-51)52-20(58)6-25(76-52)45-37-35(40(62)19-14-74-16(2)33(19)42(37)64)47(69-45)27-10-28(71-3)55(78-27)30-7-22-53(79-30)50-43(66-22)21(59)11-65-50/h5-14H,1-4H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cccc(c1)OC)c1cc(c(c(c1)OC)F)SC)SC)F)c1cc2c(c3c(c(c(o3)c3c(c(c(c4c3nc(c(n4)c3cc(c(c(c3)OC)F)SC)c3cccc(c3)OC)c3cc4c(c5c(c(co5)SC)o4)n3C)F)SC)SC)o2)n1C	


key: CAN_SMILES
value:
  COc1cccc(c1)c1nc2c(c3oc4c(c3SC)oc3c4n(C)c(c3)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)c1c(o2)c(co1)SC)F	


key: InChI
value:
  InChI=1S/C68H52F4N6O8S6/c1-77-37(27-40-60(77)64-62(84-40)45(90-10)28-83-64)47-52(72)67(91-11)48(59-58(47)76-56(32-22-39(82-6)50(70)43(24-32)88-8)54(75-59)30-16-14-18-34(20-30)80-4)63-68(92-12)66-65(86-63)61-41(85-66)26-36(78(61)2)46-51(71)44(89-9)25-35-57(46)74-55(31-21-38(81-5)49(69)42(23-31)87-7)53(73-35)29-15-13-17-33(19-29)79-3/h13-28H,1-12H3


key: SMILES
value:
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key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2sc(c(c2c(c2c1cc(s2)c1cc(F)cc2c1nc(SC)c(n2)SC)c1cc(F)cc(c1)SC)C)c1c(F)cc(c2c1nc(SC)c(n2)SC)c1cc2c(s1)c(c1cc(F)cc(c1)SC)c1c(c2c2cc(C)cc(c2)OC)scc1C	


key: InChI
value:
  InChI=1S/C72H54F4N4O2S10/c1-31-13-35(19-42(15-31)81-5)56-48-28-53(91-65(48)58(54-33(3)30-89-67(54)56)37-17-39(73)23-44(21-37)83-7)47-27-50(76)60(63-62(47)79-71(87-11)72(80-63)88-12)64-34(4)55-59(38-18-40(74)24-45(22-38)84-8)66-49(57(68(55)92-64)36-14-32(2)16-43(20-36)82-6)29-52(90-66)46-25-41(75)26-51-61(46)78-70(86-10)69(77-51)85-9/h13-30H,1-12H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(c[se]1)SC)C(=O)c1c(oc(c1C2=O)C)SC)c1cc(c(o1)c1ccc(c2cc(c(n2C)c2c(cc(c3c4c(c(s3)c3cc(c(o3)c3ccc(c5cc(cn5C)OC)n3C)C)C(=O)c3c(C4=O)c(oc3C)SC)[se]2)SC)OC)n1C)C	


key: CAN_SMILES
value:
  CSc1c[se]c(c1)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1oc(c(c1)C)c1ccc(n1C)c1cc(c(n1C)c1[se]c(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1oc(c(c1)C)c1ccc(n1C)c1cc(cn1C)OC)OC	


key: InChI
value:
  InChI=1S/C66H54N4O10S6Se2/c1-27-20-41(80-58(27)35-17-15-33(68(35)6)37-21-31(75-9)25-67(37)5)61-48-50(57(74)52-46(55(48)72)30(4)78-66(52)84-14)63(86-61)44-24-42(82-12)64(88-44)53-39(76-10)23-38(70(53)8)34-16-18-36(69(34)7)59-28(2)19-40(79-59)60-47-49(62(85-60)43-22-32(81-11)26-87-43)56(73)51-45(54(47)71)29(3)77-65(51)83-13/h15-26H,1-14H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(cs2)F)C)F)C)c1c(c2c(cc(s2)c2cc3c(c4c(c(c3n2C)c2cc(c(F)n2C)SC)cc(s4)c2c(c3c(c(c(c4c(c(c(c5c4nsn5)c4c(c5c(cc(s5)c5cc6c(c7c(c(c6n5C)c5cc(c(F)n5C)SC)ccs7)c5cc(c(o5)F)OC)n4C)OC)C)F)o3)C)s2)F)c2cc(c(o2)F)OC)n1C)OC	


key: CAN_SMILES
value:
  COc1cc(oc1F)c1c2sc(cc2c(c2c1cc(n2C)c1cc2c(s1)c(c(n2C)c1c(C)c(F)c(c2c1nsn2)c1oc2c(c1C)scc2F)OC)c1cc(c(n1C)F)SC)c1sc2c(c1F)oc(c2C)c1c(F)c(C)c(c2c1nsn2)c1n(C)c2c(c1OC)sc(c2)c1cc2c(n1C)c(c1c(c2c2oc(c(c2)OC)F)scc1)c1cc(c(n1C)F)SC	


key: InChI
value:
  InChI=1S/C88H60F8N10O8S10/c1-29-53(64-66(99-123-97-64)59(61(29)90)72-31(3)78-74(113-72)37(89)28-118-78)70-76(109-13)83-43(104(70)8)25-49(120-83)39-20-35-58(45-27-47(108-12)88(96)112-45)81-36(56(69(35)102(39)6)41-23-52(116-16)86(94)106(41)10)21-50(121-81)84-63(92)75-79(122-84)32(4)73(114-75)60-62(91)30(2)54(65-67(60)100-124-98-65)71-77(110-14)82-42(103(71)7)24-48(119-82)38-19-34-57(44-26-46(107-11)87(95)111-44)80-33(17-18-117-80)55(68(34)101(38)5)40-22-51(115-15)85(93)105(40)9/h17-28H,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(c2c(c(c(o2)c2c(c(c(c3c2nc(c(n3)c2ccc(c(c2)SC)OC)c2cc(c(c(c2)F)SC)F)c2c(c3c(c(co3)OC)n2C)OC)OC)SC)OC)n1C)OC	


key: CAN_SMILES
value:
  COc1ccc(cc1SC)c1nc2c(nc1c1cc(F)c(c(c1)F)SC)cc(c(c2c1n(C)c2c(c1OC)oc(c2OC)c1c(SC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1ccc(c(c1)SC)OC)c1n(C)c2c(c1OC)occ2OC)OC)SC	


key: InChI
value:
  InChI=1S/C68H60F4N6O10S6/c1-77-54-40(81-5)28-87-64(54)61(84-8)56(77)45-52-53(76-50(32-23-35(71)67(93-15)36(72)24-32)48(75-52)30-18-20-39(80-4)42(26-30)90-12)46(68(94-16)60(45)83-7)59-63(86-10)57-65(88-59)62(85-9)55(78(57)2)44-51-37(27-43(91-13)58(44)82-6)73-49(31-21-33(69)66(92-14)34(70)22-31)47(74-51)29-17-19-38(79-3)41(25-29)89-11/h17-28H,1-16H3


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)c1oc2c3sc(cc3[GeH2]c2c1)c1c(cc(c2ccc(c3c2nc(c(n3)c2cc(c(c(c2)C)OC)OC)c2cc(c(c(c2)F)SC)F)c2c(c(c(n2C)c2oc3c4sccc4[GeH2]c3c2)C)C)n1C)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)c1cc2c(o1)c1c([GeH2]2)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(c1)[GeH2]c1c2scc1)C)C)C	


key: InChI
value:
  InChI=1S/C90H78F4Ge2N8O6S6/c1-39-25-45(31-66(105-11)83(39)107-13)70-72(47-27-54(91)87(113-17)55(92)28-47)97-74-50(62-33-49(111-15)38-101(62)7)19-21-52(76(74)99-70)78-42(4)44(6)81(104(78)10)65-35-60-86(110-65)90-61(96-60)36-69(116-90)82-68(112-16)37-63(102(82)8)51-20-22-53(79-41(3)43(5)80(103(79)9)64-34-59-85(109-64)89-58(95-59)23-24-115-89)77-75(51)98-73(48-29-56(93)88(114-18)57(94)30-48)71(100-77)46-26-40(2)84(108-14)67(32-46)106-12/h19-38H,95-96H2,1-18H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)F)c1c(c(cs1)F)OC)SC)SC)c1c(c(c(n1C)c1cc2c(c3c(c(c(o3)c3c(c(c(c4c(c(c(c5c4nc(c(n5)F)C)c4c(c(c(n4C)c4cc5c(c6c(c(co6)F)o5)s4)F)F)SC)SC)s3)OC)F)F)o2)s1)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(s1)c1c(o2)c(co1)F)c1oc2c(c1F)oc1c2sc(c1)c1n(C)c(c(c1F)F)c1c(SC)c(SC)c(c2c1nc(F)c(n2)C)c1scc(c1OC)F	


key: InChI
value:
  InChI=1S/C58H34F10N6O6S8/c1-15-57(67)71-33-23(52(81-7)54(83-9)25(35(33)69-15)50-42(75-5)18(60)14-85-50)39-30(64)28(62)38(74(39)4)22-12-20-49(87-22)47-43(79-20)31(65)45(80-47)56-32(66)44(76-6)51(88-56)26-36-34(72-58(68)16(2)70-36)24(53(82-8)55(26)84-10)40-29(63)27(61)37(73(40)3)21-11-19-48(86-21)46-41(78-19)17(59)13-77-46/h11-14H,1-10H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)F)c1c(c(cs1)F)OC)SC)SC)c1c(c(c(n1C)c1cc2c(c3c(c(c(o3)c3c(c(c(c4c(c(c(c5c4nc(c(n5)F)C)c4c(c(c(n4C)c4cc5c(c6c(c(co6)F)s5)s4)F)F)SC)SC)s3)OC)F)F)s2)s1)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(s1)c1c(s2)c(co1)F)c1oc2c(c1F)sc1c2sc(c1)c1n(C)c(c(c1F)F)c1c(SC)c(SC)c(c2c1nc(F)c(n2)C)c1scc(c1OC)F	


key: InChI
value:
  InChI=1S/C58H34F10N6O4S10/c1-15-57(67)71-33-23(51(79-7)53(81-9)25(35(33)69-15)49-41(75-5)18(60)14-83-49)39-30(64)28(62)38(74(39)4)20-12-22-48(85-20)45-56(87-22)32(66)43(78-45)55-31(65)42(76-6)50(88-55)26-36-34(72-58(68)16(2)70-36)24(52(80-8)54(26)82-10)40-29(63)27(61)37(73(40)3)19-11-21-47(84-19)44-46(86-21)17(59)13-77-44/h11-14H,1-10H3


key: SMILES
value:
  c1(c(ccc2nn(nc12)C)C)c1sc2c(c(c3c(c2OC)c(c(n3C)c2cc(c(c3c2nn(n3)C)c2sc3c(c(c4c(c3OC)c(cn4C)C)OC)c2C)C)C)OC)c1C	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C46H46N8O4S2/c1-19-15-16-26-34(49-53(9)47-26)27(19)43-24(6)32-40(56-12)38-30(42(58-14)46(32)59-43)22(4)36(52(38)8)25-17-20(2)28(35-33(25)48-54(10)50-35)44-23(5)31-39(55-11)37-29(21(3)18-51(37)7)41(57-13)45(31)60-44/h15-18H,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:
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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:
  InChI=1S/C52H40F6N8O4S4/c1-17-13-23(38-40(67-11)19(3)15-63(38)7)33-35(61-65(9)59-33)26(17)41-21(5)29(55)45(70-41)49-32(58)52-51(74-49)30(56)47(73-52)37-22(6)43(68-12)39(64(37)8)24-14-18(2)27(36-34(24)60-66(10)62-36)42-20(4)28(54)44(69-42)48-31(57)50-46(72-48)25(53)16-71-50/h13-16H,1-12H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C62H42F2N2O14S4/c1-23-13-26-28(16-34(23)71-5)50(69)42-43(48(26)67)60(83-59(42)37-15-25(81-9)22-76-37)38-19-31(64)53(79-38)47-58(74-8)55-33(66(47)4)20-36(77-55)56-41(82-10)21-40(80-56)62-45-44(49(68)27-14-24(2)35(72-6)17-29(27)51(45)70)61(84-62)39-18-30(63)52(78-39)46-57(73-7)54-32(65(46)3)11-12-75-54/h11-22H,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: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C62H30F4O12S8/c1-19-7-22-24(10-29(19)71-3)47(69)40-41(45(22)67)57(85-56(40)31-9-21(79-5)17-73-31)32-12-27(64)50(75-32)37-16-39-61(82-37)54-62(84-39)44(66)52(78-54)51-35(80-6)14-34(77-51)59-43-42(46(68)23-8-20(2)30(72-4)11-25(23)48(43)70)58(86-59)33-13-26(63)49(76-33)36-15-38-60(81-36)53-55(83-38)28(65)18-74-53/h7-18H,1-6H3


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/C60H32F2O12S8Se2/c1-17-10-24(71-45(17)27-12-25-54(79-27)50-47(72-25)22(61)15-67-50)53-35-37(44(66)39-33(42(35)64)20(4)69-60(39)78-8)57(82-53)31-14-29(76-6)58(84-31)49-40(62)48-51(74-49)55-26(73-48)13-28(80-55)46-18(2)9-23(70-46)52-34-36(56(81-52)30-11-21(75-5)16-83-30)43(65)38-32(41(34)63)19(3)68-59(38)77-7/h9-16H,1-8H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)C1=CC(=O)[C](S1)c1c(c2c(c3c(c(c(o3)c3c(cc(c4c5c(c(o4)C4=CC(=O)[C](S4)c4c(c6c(c7c(c(co7)F)o6)s4)[S](C)C)C(=O)c4c(C5=O)ccc(c4)OC)o3)F)F)o2)s1)[S](C)C	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C62H30F4O16S6/c1-73-20-7-9-22-24(12-20)41(71)36-34(39(22)69)45(30-11-19(63)17-75-30)79-47(36)32-15-29(68)56(83-32)60-62(88(5)6)54-58(86-60)52-50(82-54)38(66)49(81-52)43-26(64)14-31(77-43)46-35-37(42(72)25-13-21(74-2)8-10-23(25)40(35)70)48(80-46)33-16-28(67)55(84-33)59-61(87(3)4)53-57(85-59)51-44(78-53)27(65)18-76-51/h7-18H,1-6H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C68H66F4N8O2S10/c1-27-23-38(53-36(83-15)21-22-77(53)9)90-59(27)55-57(81-13)32(6)52(79(55)11)42-30(4)62(87-19)44(50-48(42)74-34(8)68(72)76-50)65-46(70)66(88-20)63(92-65)35-25-37(84-16)54(78(35)10)39-24-28(2)60(91-39)56-58(82-14)31(5)51(80(56)12)41-29(3)61(86-18)43(64-45(69)40(85-17)26-89-64)49-47(41)73-33(7)67(71)75-49/h21-26H,1-20H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C58H52F2N8O8S2/c1-25-21-31(49-51(71-13)27(3)24-65(49)7)44-46(63-67(9)61-44)40(25)52-29(5)43(60)58(76-52)39-18-16-37(78-39)56-35(70-12)23-34(74-56)48-30(6)54(72-14)50(66(48)8)32-22-26(2)41(47-45(32)62-68(10)64-47)53-28(4)42(59)57(75-53)38-17-15-36(77-38)55-33(69-11)19-20-73-55/h15-24H,1-14H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C58H50F4N8O2S10/c1-23-17-35(47-33(73-9)15-16-67(47)5)79-49(23)57-53(75-11)26(4)52(81-57)38-30(60)20-28(41-43(38)66-72-64-41)45-56(78-14)39(62)46(70(45)8)32-21-34(74-10)48(69(32)7)36-18-24(2)50(80-36)58-54(76-12)25(3)51(82-58)37-29(59)19-27(40-42(37)65-71-63-40)44-55(77-13)31(61)22-68(44)6/h15-22H,1-14H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)C)C(=O)c1c(sc(c1C2=O)F)SC)c1ccc(s1)c1cc(c(c2c(cc(s2)c2c(cc(c3c4c(c(o3)c3ccc(s3)c3cc(c(c5c(ccs5)SC)o3)OC)C(=O)c3c(C4=O)c(sc3F)SC)s2)C)SC)o1)OC	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C60H36F2O10S12/c1-21-15-32(78-20-21)52-38-36(44(63)40-42(46(38)65)59(75-7)83-57(40)61)50(71-52)29-11-10-28(80-29)24-18-26(68-4)49(70-24)56-34(74-6)19-35(82-56)54-22(2)16-33(81-54)53-39-37(45(64)41-43(47(39)66)60(76-8)84-58(41)62)51(72-53)30-12-9-27(79-30)23-17-25(67-3)48(69-23)55-31(73-5)13-14-77-55/h9-20H,1-8H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C64H52F6N8O10/c1-21-17-29(48-50(79-13)23(3)19-75(48)9)43-45(73-77(11)71-43)31(21)51-26(6)38(66)62(84-51)64-42(70)36-40(68)56-34(58(82-16)60(36)88-64)25(5)54(86-56)47-28(8)53(80-14)49(76(47)10)30-18-22(2)32(46-44(30)72-78(12)74-46)52-27(7)37(65)61(85-52)63-41(69)35-39(67)55-33(24(4)20-83-55)57(81-15)59(35)87-63/h17-20H,1-16H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cs1)F)SC)F)c1c(c(c(o1)c1ccc(c2c(cc(o2)c2c(c(c(c3cc(c(c4c3nn(n4)C)c3c(c(c(o3)c3ccc(c4c(cco4)OC)s3)OC)OC)F)s2)SC)F)OC)s1)OC)OC	


key: CAN_SMILES
value:
  COc1cc(oc1c1ccc(s1)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)c1ccc(s1)c1occc1OC	


key: InChI
value:
  InChI=1S/C54H40F4N6O10S6/c1-63-59-36-21(50-52(75-9)25(57)20-77-50)17-23(55)33(38(36)61-63)44-48(69-7)47(68-6)43(74-44)32-14-12-30(79-32)41-27(66-4)19-28(72-41)53-35(58)54(76-10)51(80-53)22-18-24(56)34(39-37(22)60-64(2)62-39)45-49(70-8)46(67-5)42(73-45)31-13-11-29(78-31)40-26(65-3)15-16-71-40/h11-20H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
  COc1ccc(cc1C)c1nc2c(c(F)c(c(c2nc1c1ccc(c(c1)C)F)c1ccc(o1)c1cc(c(s1)c1c(F)c(OC)cc2c1nc(c1ccc(c(c1)C)OC)c(n2)c1ccc(c(c1)C)F)C)OC)c1sc(cc1C)c1ccco1	


key: InChI
value:
  InChI=1S/C66H50F4N4O6S2/c1-31-24-37(13-17-41(31)67)57-58(39-15-19-44(75-7)33(3)26-39)72-61-43(71-57)30-49(77-9)55(69)53(61)65-36(6)29-51(82-65)47-21-22-48(80-47)52-62-63(54(56(70)64(52)78-10)66-35(5)28-50(81-66)46-12-11-23-79-46)74-60(40-16-20-45(76-8)34(4)27-40)59(73-62)38-14-18-42(68)32(2)25-38/h11-30H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
  COc1cc(n(c1c1c(F)cc(c2c1nc(SC)c(n2)SC)c1ccc(n1C)c1cc(cn1C)OC)C)c1ccc(n1C)c1cc(F)cc2c1nc(SC)c(n2)SC	


key: InChI
value:
  InChI=1S/C42H40F2N8O2S4/c1-49-20-22(53-5)17-31(49)29-13-11-28(50(29)2)24-18-25(44)34(37-36(24)47-41(57-9)42(48-37)58-10)38-33(54-6)19-32(52(38)4)30-14-12-27(51(30)3)23-15-21(43)16-26-35(23)46-40(56-8)39(45-26)55-7/h11-20H,1-10H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1ccc(c(c1)C)F)c1ccc(c(c1)C)OC)OC)F)c1ccc(c2cc(c(n2C)c2c(c(c(c3c2nc(c(n3)c2ccc(c(c2)C)OC)c2ccc(c(c2)C)F)c2ccc(c3cc(cn3C)SC)s2)F)OC)SC)s1	


key: CAN_SMILES
value:
  CSc1cc(n(c1)C)c1ccc(s1)c1c(F)c(OC)c(c2c1nc(c1ccc(c(c1)C)OC)c(n2)c1ccc(c(c1)C)F)c1c(SC)cc(n1C)c1ccc(s1)c1c(F)c(OC)cc2c1nc(c1ccc(c(c1)C)OC)c(n2)c1ccc(c(c1)C)F	


key: InChI
value:
  InChI=1S/C68H56F4N6O4S4/c1-33-25-37(13-17-42(33)69)60-61(39-15-19-47(79-7)35(3)27-39)74-64-44(73-60)30-49(81-9)58(71)55(64)52-24-22-51(86-52)46-31-54(84-12)67(78(46)6)57-66-65(56(59(72)68(57)82-10)53-23-21-50(85-53)45-29-41(83-11)32-77(45)5)75-63(40-16-20-48(80-8)36(4)28-40)62(76-66)38-14-18-43(70)34(2)26-38/h13-32H,1-12H3


key: SMILES
value:
  c1(c(c(c(c2c1nccn2)c1c(c(co1)SC)SC)F)F)c1c(c(c(n1C)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(c(s3)c1c(c(c(c2c(c(c(c3c2nccn3)c2c(c(c(n2C)c2c(c3c(c4c(c(c3n2C)c2ccc(s2)SC)c(cs4)SC)c2cc(c(s2)C)F)C)OC)C)F)F)o1)SC)SC)SC)c1cc(c(s1)C)F)C)OC)C	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)c(sc2c(c2c1n(C)c(c2C)c1n(C)c(c(c1OC)C)c1c(F)c(F)c(c2c1nccn2)c1occ(c1SC)SC)c1sc(c(c1)F)C)c1oc(c(c1SC)SC)c1c(F)c(F)c(c2c1nccn2)c1c(C)c(c(n1C)c1n(C)c2c(c1C)c(c1sc(c(c1)F)C)c1c(c2c2ccc(s2)SC)c(SC)cs1)OC	


key: InChI
value:
  InChI=1S/C88H72F6N8O4S14/c1-33-49-53(43-29-39(89)37(5)116-43)83-55(46(108-14)32-115-83)51(41-21-23-47(109-15)118-41)73(49)101(9)71(33)75-77(103-11)36(4)70(100(75)8)58-62(92)64(94)60(68-66(58)96-26-28-98-68)80-86(113-19)87(114-20)81(106-80)88-85(112-18)56-52(42-22-24-48(110-16)119-42)74-50(54(84(56)120-88)44-30-40(90)38(6)117-44)34(2)72(102(74)10)76-78(104-12)35(3)69(99(76)7)57-61(91)63(93)59(67-65(57)95-25-27-97-67)79-82(111-17)45(107-13)31-105-79/h21-32H,1-20H3


key: SMILES
value:
  c1(c(c(c(c2c1ncc(n2)SC)c1c(c2c(o1)c(cs2)F)OC)SC)F)c1c(c2c(s1)cc(n2C)c1sc2c(c(c3c(c2c2ccc(s2)F)c(c(s3)c2c(c3c(c(c(c4c(c(c(c5c4nc(cn5)SC)c4c(c5c(s4)cc(n5C)c4sc5c(c(c6c(c5c5ccc(s5)F)c(cs6)SC)c5cc(c(s5)OC)C)c4)SC)F)SC)o3)OC)s2)F)SC)c2cc(c(s2)OC)C)c1)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c1oc3c(c1OC)sc(c3F)c1sc3c(c1SC)c(c1ccc(s1)F)c1c(c3c3sc(c(c3)C)OC)cc(s1)c1cc3c(n1C)c(c(s3)c1c(F)c(SC)c(c3c1ncc(n3)SC)c1oc3c(c1OC)scc3F)SC)c(c(c2c1sc2c(c1SC)n(c(c2)c1sc2c(c1)c(c1sc(c(c1)C)OC)c1c(c2c2ccc(s2)F)c(SC)cs1)C)F)SC	


key: InChI
value:
  InChI=1S/C92H62F6N6O6S20/c1-31-21-42(127-91(31)107-7)51-33-23-40(123-76(33)53(38-17-19-47(94)121-38)55-46(111-9)30-120-78(51)55)36-25-44-68(103(36)3)86(117-15)84(125-44)58-62(97)81(115-13)60(67-65(58)100-28-50(102-67)113-11)72-75(106-6)89-73(110-72)63(98)85(130-89)90-82(116-14)56-54(39-18-20-48(95)122-39)77-34(52(79(56)129-90)43-22-32(2)92(108-8)128-43)24-41(124-77)37-26-45-69(104(37)4)87(118-16)83(126-45)57-61(96)80(114-12)59(66-64(57)99-27-49(101-66)112-10)71-74(105-5)88-70(109-71)35(93)29-119-88/h17-30H,1-16H3


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)C1=NC[C@H](C(=C1SC)C)c1c(cc(c2c(cc(n2C)c2c(c(c(c3cc(c(c4c3nsn4)C3=NC[C@H](C(=C3SC)C)c3c(cc(c4c(ccn4C)SC)o3)OC)C)o2)F)SC)SC)o1)OC	


key: CAN_SMILES
value:
  CSc1c(F)c(oc1c1cc(c(n1C)c1oc(c(c1)OC)[C@@H]1CN=C(C(=C1C)SC)c1c(C)cc(c2c1nsn2)c1occ(c1F)SC)SC)c1cc(C)c(c2c1nsn2)C1=NC[C@H](C(=C1SC)C)c1oc(cc1OC)c1c(SC)ccn1C	


key: InChI
value:
  InChI=1S/C60H56F2N8O6S8/c1-25-17-29(55-43(61)40(79-11)24-73-55)45-47(67-83-65-45)41(25)49-59(81-13)28(4)32(23-64-49)54-37(72-8)21-35(75-54)52-39(78-10)19-33(70(52)6)57-60(82-14)44(62)56(76-57)30-18-26(2)42(48-46(30)66-84-68-48)50-58(80-12)27(3)31(22-63-50)53-36(71-7)20-34(74-53)51-38(77-9)15-16-69(51)5/h15-21,24,31-32H,22-23H2,1-14H3/t31-,32-/m1/s1


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cn1C)C)OC)C)c1c(c(c(o1)c1sc2c(c(c3c(c2c2ccc(s2)F)c(c(s3)c2c(c(c(c3cc(c(c4c3nn(n4)C)c3c(c(c(o3)c3sc4c(c(c5c(c4c4ccc(s4)F)c(cs5)SC)c4cc(c(s4)OC)C)c3)F)C)C)n2C)OC)C)SC)c2cc(c(s2)OC)C)c1)F)C	


key: CAN_SMILES
value:
  COc1sc(cc1C)c1c2sc(c(c2c(c2c1cc(s2)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)cc(c1OC)C)c1ccc(s1)F)SC)c1c(C)c(c(n1C)c1cc(C)c(c2c1nn(n2)C)c1oc(c(c1C)F)c1cc2c(s1)c(c1ccc(s1)F)c1c(c2c2cc(c(s2)OC)C)scc1SC)OC	


key: InChI
value:
  InChI=1S/C82H66F4N8O6S10/c1-31-23-41(67-69(95-13)35(5)29-91(67)9)62-64(89-93(11)87-62)52(31)70-36(6)61(86)74(99-70)48-28-40-55(46-26-34(4)82(98-16)109-46)78-59(57(76(40)107-48)44-20-22-51(84)105-44)79(102-18)80(110-78)66-38(8)72(96-14)68(92(66)10)42-24-32(2)53(65-63(42)88-94(12)90-65)71-37(7)60(85)73(100-71)47-27-39-54(45-25-33(3)81(97-15)108-45)77-58(49(101-17)30-103-77)56(75(39)106-47)43-19-21-50(83)104-43/h19-30H,1-18H3


key: SMILES
value:
  c1(c(cc(c2nonc12)c1c(c(cn1C)F)SC)F)c1c(c(c(s1)c1oc2c(c(c3c(c2C)c(c(o3)c2c(c(c(c3cc(c(c4c3non4)c3c(c(c(s3)c3oc4c(c(c5c(c4C)c(co5)C)C)c3F)SC)C)F)n2C)SC)F)C)C)c1F)SC)C	


key: CAN_SMILES
value:
  CSc1c(sc(c1C)c1c(F)cc(c2c1non2)c1n(C)cc(c1SC)F)c1oc2c(c1F)c(C)c1c(c2C)c(C)c(o1)c1c(F)c(c(n1C)c1cc(F)c(c2c1non2)c1sc(c(c1C)SC)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1)SC	


key: InChI
value:
  InChI=1S/C62H46F6N6O6S6/c1-19-18-75-48-23(5)34-38(66)53(77-50(34)20(2)32(19)48)61-57(81-11)26(8)56(86-61)37-30(64)16-28(42-44(37)72-80-70-42)46-60(84-14)40(68)47(74(46)10)52-22(4)33-21(3)51-35(24(6)49(33)76-52)39(67)54(78-51)62-58(82-12)25(7)55(85-62)36-29(63)15-27(41-43(36)71-79-69-41)45-59(83-13)31(65)17-73(45)9/h15-18H,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)c1sc2c3[se]c(cc3[GeH2]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)c3sc4c5[se]ccc5[GeH2]c4c3)F)OC)OC)s2)OC)s1)C)F	


key: CAN_SMILES
value:
  COc1cc(cc(c1C)OC)c1nc2c(c3sc4c(c3)n(c(c4F)c3sc4c(c3)[GeH2]c3c4[se]cc3)C)c(OC)c(c(c2nc1c1cc(F)c(c(c1)F)C)c1sc2c(c1OC)sc(c2C)c1[se]c2c(c1)[GeH2]c1c2sc(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/C98H74F6Ge2N6O10S8Se2/c1-35-34-123-95-84(121-17)93(128-86(35)95)66-76-74(107-72(43-25-55(113-9)38(4)56(26-43)114-10)70(109-76)41-21-45(99)36(2)46(100)22-41)64(80(117-13)82(66)119-15)59-33-54-92(125-59)69(104)79(112(54)8)62-30-51-90(127-62)98-52(106-51)31-63(132-98)87-40(6)88-96(129-87)85(122-18)94(130-88)67-77-75(108-73(44-27-57(115-11)39(5)58(28-44)116-12)71(110-77)42-23-47(101)37(3)48(102)24-42)65(81(118-14)83(67)120-16)60-32-53-91(124-60)68(103)78(111(53)7)61-29-50-89(126-61)97-49(105-50)19-20-131-97/h19-34H,105-106H2,1-18H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)C)c1c(c(co1)F)SC)F)OC)c1c(c(c(s1)c1c(c2c(c(c(s2)c2c(c(c(c3c(c(c(c4c3nc(c(n4)C)OC)c3c(c(c(s3)c3c(c4c(c(cs4)C)n3C)OC)F)SC)OC)F)o2)SC)F)C)n1C)OC)F)SC	


key: CAN_SMILES
value:
  CSc1c(F)c(oc1c1c(F)c(OC)c(c2c1nc(OC)c(n2)C)c1sc(c(c1SC)F)c1c(OC)c2c(n1C)c(cs2)C)c1sc2c(c1C)n(c(c2OC)c1sc(c(c1F)SC)c1c(OC)c(F)c(c2c1nc(C)c(n2)OC)c1occ(c1SC)F)C	


key: InChI
value:
  InChI=1S/C60H50F6N6O8S8/c1-19-18-85-57-37(19)71(5)39(46(57)75-9)52-31(65)55(83-15)51(87-52)27-36-34(70-60(78-12)22(4)68-36)25(29(63)42(27)74-8)44-54(82-14)30(64)45(80-44)48-20(2)38-58(86-48)47(76-10)40(72(38)6)53-32(66)56(84-16)50(88-53)26-35-33(69-59(77-11)21(3)67-35)24(28(62)41(26)73-7)43-49(81-13)23(61)17-79-43/h17-18H,1-16H3


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)OC)n4C)SC)SC)o3)o2)OC)OC)n1C)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(cc(c2c1cc2c(o1)c(c(o2)c1c(OC)cc(n1C)c1ccc(n1C)c1oc2c(c1)oc(c2SC)c1cc(SC)c(c2c1nc(SC)cn2)c1cc2c(o1)c(co2)OC)OC)SC)c1oc2c(c1SC)oc(c2)c1ccc(n1C)c1cc(cn1C)OC	


key: InChI
value:
  InChI=1S/C70H58N8O12S6/c1-75-29-31(79-5)19-38(75)34-15-17-36(76(34)2)40-23-47-65(84-40)69(95-13)62(88-47)33-21-51(92-10)55(59-57(33)74-53(94-12)28-72-59)43-26-46-64(87-43)68(82-8)67(90-46)60-44(80-6)22-39(78(60)4)35-16-18-37(77(35)3)41-24-48-66(85-41)70(96-14)61(89-48)32-20-50(91-9)54(58-56(32)73-52(93-11)27-71-58)42-25-45-63(86-42)49(81-7)30-83-45/h15-30H,1-14H3


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]c2c3oc(cc3[SiH2]c2c1)c1c(c2c(c(c(c3c(c(c(c4c3nc(cn4)SC)c3cc4c(s3)c(c(n4C)c3[se]c4c5occc5[SiH2]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([SiH2]2)cco1)C)OC)C)c1n(C)c2c(c1C)oc(c2OC)c1cc2c(o1)c1c([SiH2]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/C72H62N8O8S4Se2Si2/c1-27-47(57-29(3)63-59(79(57)9)36(81-11)26-86-63)53-51(73-24-45(75-53)89-15)49(61(27)82-12)37-20-34-70(92-37)32(6)56(78(34)8)40-23-44-72(94-40)67-42(96-44)21-35(87-67)65-68(84-14)60-64(88-65)30(4)58(80(60)10)48-28(2)62(83-13)50(52-54(48)76-46(90-16)25-74-52)38-19-33-69(91-38)31(5)55(77(33)7)39-22-43-71(93-39)66-41(95-43)17-18-85-66/h17-26H,95-96H2,1-16H3


key: SMILES
value:
  c1(cc(c(c2c1nc(cn2)SC)c1cc2c(o1)c(co2)OC)SC)c1c(c2c(o1)cc(o2)c1cc(c(c2c(cc(n2C)c2c(c3c(cc(c4c(cc(c5c4ncc(n5)SC)c4c(c5c(o4)cc(o5)c4cc(c(c5c(ccn5C)F)s4)SC)SC)SC)o3)o2)OC)F)s1)SC)SC	


key: CAN_SMILES
value:
  COc1c2oc(cc2oc1c1cc(c(n1C)c1sc(cc1SC)c1cc2c(o1)c(c(o2)c1cc(SC)c(c2c1nc(SC)cn2)c1cc2c(o1)c(co2)OC)SC)F)c1c(SC)cc(c2c1ncc(n2)SC)c1oc2c(c1SC)oc(c2)c1cc(c(s1)c1c(F)ccn1C)SC	


key: InChI
value:
  InChI=1S/C68H50F2N6O10S10/c1-75-14-13-29(69)55(75)65-45(89-7)22-41(95-65)32-18-38-62(80-32)67(93-11)58(84-38)28-16-44(88-6)50(54-52(28)74-48(92-10)25-72-54)35-21-37-61(83-35)64(78-4)59(86-37)31-17-30(70)56(76(31)2)66-46(90-8)23-42(96-66)33-19-39-63(81-33)68(94-12)57(85-39)27-15-43(87-5)49(53-51(27)73-47(91-9)24-71-53)34-20-36-60(82-34)40(77-3)26-79-36/h13-26H,1-12H3


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(c2ccc(s2)c2ccc(c3c(c(c(c4c3nc(c(n4)c3cc(c(c(c3)F)OC)OC)c3ccc(c(c3)C)F)c3cc(c(s3)c3cc(c(c4cccs4)s3)SC)C)SC)OC)n2C)s1)SC)C	


key: CAN_SMILES
value:
  CSc1cc(sc1c1ccc(s1)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)c1cc(c(s1)c1cccs1)SC)C)c1sc(cc1C)c1c(SC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)OC)OC)c(n2)c1ccc(c(c1)C)F)c1cccn1C	


key: InChI
value:
  InChI=1S/C88H72F4N6O6S10/c1-41-31-45(21-23-49(41)89)71-73(47-35-51(91)79(101-9)56(37-47)99-7)95-77-69(87(107-15)81(103-11)67(75(77)93-71)54-19-17-29-97(54)5)61-34-44(4)84(112-61)66-40-64(106-14)86(114-66)60-28-27-58(110-60)53-25-26-55(98(53)6)68-76-78(96-74(48-36-52(92)80(102-10)57(38-48)100-8)72(94-76)46-22-24-50(90)42(2)32-46)70(88(108-16)82(68)104-12)62-33-43(3)83(111-62)65-39-63(105-13)85(113-65)59-20-18-30-109-59/h17-40H,1-16H3


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(c2)c(cn3C)F)F)c1F)C	


key: InChI
value:
  InChI=1S/C46H35F5N4O4S2/c1-20-14-22(11-12-25(20)47)37-38(23-16-26(48)42(57-6)30(17-23)56-5)53-40-34(46(60-8)43(58-7)32(39(40)52-37)28-10-9-13-54(28)3)31-15-21(2)45(61-31)44-36(51)33-29(59-44)18-24-27(49)19-55(4)41(24)35(33)50/h9-19H,1-8H3


key: CAN_SMILES
value:
  CSc1c(c2cc(c(s2)c2oc3c(c2F)c(F)c2c(c3)c(F)cn2C)C)c2nc(c3cc(F)c(c(c3)OC)OC)c(nc2c(c1OC)c1cccn1C)c1ccc(c(c1)C)F	


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)OC)SC)OC)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(c(s3)c1cc(c(c2c1nc(c(n2)SC)OC)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)OC)SC)c1cc(c(s1)C)F)C	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)c(sc2c(c2c1n(C)c(c2C)c1c(OC)ccc2c1nc(SC)c(n2)OC)c1cc(c(s1)C)F)c1cc(OC)c(c2c1nc(OC)c(n2)SC)c1c(C)c2c(n1C)c(c1ccc(s1)SC)c1c(c2c2cc(c(s2)C)F)scc1SC	


key: InChI
value:
  InChI=1S/C68H58F2N6O4S12/c1-27-44-50(39-24-32(69)29(3)88-39)62-52(41(81-11)26-87-62)48(37-19-21-42(82-12)90-37)59(44)76(6)58(27)47-36(78-8)23-31(54-56(47)74-68(86-16)66(72-54)80-10)61-64(84-14)53-49(38-20-22-43(83-13)91-38)60-45(51(63(53)92-61)40-25-33(70)30(4)89-40)28(2)57(75(60)5)46-35(77-7)18-17-34-55(46)73-67(85-15)65(71-34)79-9/h17-26H,1-16H3


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(c2c2cc(c(c(c2)C)F)F)c(c(s3)c2c(c3c(c(c(c4c(c(c(c5c4nc(cn5)SC)c4c(c5c(s4)cc(n5C)c4oc5c(c(c6c(c5c5cc(c(c(c5)C)F)F)c(cs6)OC)c5ccc(cc5)C)c4C)SC)F)SC)o3)OC)s2)F)OC)c2ccc(cc2)C)c1C)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c1oc3c(c1OC)sc(c3F)c1sc3c(c1OC)c(c1cc(C)c(c(c1)F)F)c1c(c3c3ccc(cc3)C)c(C)c(o1)c1cc3c(n1C)c(c(s3)c1c(F)c(SC)c(c3c1ncc(n3)SC)c1oc3c(c1OC)scc3F)SC)c(c(c2c1sc2c(c1SC)n(c(c2)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1)C)F)SC	


key: InChI
value:
  InChI=1S/C102H72F8N6O8S12/c1-37-19-23-43(24-20-37)61-57-41(5)80(121-83(57)59(63-52(117-9)36-132-91(61)63)45-27-39(3)69(106)47(103)29-45)50-31-53-78(115(50)7)98(129-17)96(133-53)66-72(109)94(128-16)68(77-75(66)112-34-56(114-77)126-14)86-90(120-12)101-88(124-86)73(110)97(136-101)102-87(118-10)64-60(46-28-40(4)70(107)48(104)30-46)84-58(62(92(64)135-102)44-25-21-38(2)22-26-44)42(6)81(122-84)51-32-54-79(116(51)8)99(130-18)95(134-54)65-71(108)93(127-15)67(76-74(65)111-33-55(113-76)125-13)85-89(119-11)100-82(123-85)49(105)35-131-100/h19-36H,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)c1sc2c(c(c3c(c2c2ccc(s2)F)c(c(s3)c2c(c3c(c(c(c4c(c(c(c5c4nn(n5)C)c4c(c5c(s4)c(c(o5)c4sc5c(c(c6c(c5c5ccc(s5)F)c(cs6)SC)c5cc(c(s5)OC)C)c4)C)SC)F)C)n3C)SC)n2C)SC)SC)c2cc(c(s2)OC)C)c1)C)SC	


key: CAN_SMILES
value:
  COc1sc(cc1C)c1c2sc(c(c2c(c2c1cc(s2)c1oc2c(c1C)sc(c2SC)c1c(F)c(C)c(c2c1nn(n2)C)c1c(SC)c2c(n1C)c(cn2C)SC)c1ccc(s1)F)SC)c1c(SC)c2c(n1C)c(c(n2C)c1c(C)c(F)c(c2c1nn(n2)C)c1sc2c(c1SC)oc(c2C)c1sc2c(c1)c(c1sc(c(c1)C)OC)c1c(c2c2ccc(s2)F)c(SC)cs1)SC	


key: InChI
value:
  InChI=1S/C94H76F4N10O4S18/c1-33-27-43(126-93(33)109-13)53-39-29-45(124-80(39)55(41-23-25-49(95)122-41)57-48(114-16)32-121-82(53)57)74-37(5)78-76(111-74)91(119-21)86(128-78)60-62(98)36(4)52(64-66(60)102-108(12)100-64)69-88(117-19)71-72(105(69)9)89(118-20)73(106(71)10)90-84(115-17)58-56(42-24-26-50(96)123-42)81-40(54(83(58)130-90)44-28-34(2)94(110-14)127-44)30-46(125-81)75-38(6)79-77(112-75)92(120-22)85(129-79)59-61(97)35(3)51(63-65(59)101-107(11)99-63)68-87(116-18)70-67(104(68)8)47(113-15)31-103(70)7/h23-32H,1-22H3


key: InChI
value:
  InChI=1S/C32H23FN4O5S2Se/c1-11-18(28-29(38-5)30-26(42-28)14(33)10-39-30)20-21(36-44-35-20)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)7-8-45-32/h7-10,34H,1-6H3


key: InChI
value:
  InChI=1S/C26H27N3O4S2/c1-12-11-29(3)20-16(12)22(32-6)24-17(21(20)31-5)13(2)23(35-24)18-15(30-4)10-9-14-19(18)28-26(34-8)25(27-14)33-7/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C30H16F2O7S4Se/c1-9-15-18(30(35-2)44-9)20(34)16-17(19(15)33)23(13-5-10(40-3)8-41-13)39-22(16)12-6-14-24(37-12)28-29(43(14,4)32)26-27(42-28)25-21(38-26)11(31)7-36-25/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C32H22F2N4O4S3/c1-11-9-40-29-24-17(41-26(11)29)7-15(37(24)4)18-8-16-32(44-18)30(39-6)25(38(16)5)19-12(2)21(34)20(23-22(19)35-45-36-23)27-13(3)31-28(42-27)14(33)10-43-31/h7-10H,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)c1[se]c2c3[se]ccc3[nH]c2c1)C)SC	


key: InChI
value:
  InChI=1S/C34H29FN6OS4Se2/c1-13-19(25-31(44-7)26-24(40(25)4)17(43-6)12-39(26)3)22-23(38-41(5)37-22)20(21(13)35)30-32(45-8)28-29(46-30)14(2)27(42-28)18-11-16-34(48-18)33-15(36-16)9-10-47-33/h9-12,36H,1-8H3


key: InChI
value:
  InChI=1S/C30H25F2N3O2S5/c1-14-25(35(2)26(27(14)36-3)16-12-17(38-4)29(42-16)15-8-7-11-41-15)19-21(31)22(32)20(24-23(19)33-9-10-34-24)28-30(40-6)18(39-5)13-37-28/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C37H30F2N2OS6/c1-17-8-19(11-22(9-17)42-3)29-24-14-26(31-32-25(15-27(44-5)34(31)45-6)40-36(39)37(41-32)46-7)48-33(24)30(28-18(2)16-47-35(28)29)20-10-21(38)13-23(12-20)43-4/h8-16H,1-7H3


key: InChI
value:
  InChI=1S/C31H26F2N4O2S4/c1-12-19(22-23(36-31(33)14(3)34-22)20(28(12)41-7)30-21(32)18(40-6)11-43-30)24-13(2)26(38-5)25(37(24)4)17-10-16-27(39-17)29-15(35-16)8-9-42-29/h8-11,35H,1-7H3


key: InChI
value:
  InChI=1S/C24H20F2N2O2S3/c1-9-8-29-19-11(3)15-17(25)21(30-20(15)10(2)14(9)19)16-18-12(7-13(31-4)22(16)32-5)27-23(26)24(28-18)33-6/h7-8H,1-6H3


key: InChI
value:
  InChI=1S/C31H22FNO6S2Se/c1-13-9-18(17-7-6-8-33(17)3)37-27(13)28-16(32)11-19(38-28)29-22-23(30(39-29)20-10-15(40-5)12-41-20)25(34)21-14(2)42-31(36-4)24(21)26(22)35/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C31H21FO6S4Se/c1-12-6-7-40-29(12)19-10-17(35-3)30(42-19)26-15(32)9-16(37-26)27-21-22(28(38-27)18-8-14(39-5)11-41-18)24(33)20-13(2)43-31(36-4)23(20)25(21)34/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C20H21N3O3S2/c1-10-9-28-18-15(10)23(2)16(17(18)25-4)13-12(24-3)8-7-11-14(13)22-20(27-6)19(21-11)26-5/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C26H18F2N4O2S4/c1-10-22(38-26(23(10)35-3)16-8-15-21(33-16)25-14(29-15)5-6-37-25)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: InChI
value:
  InChI=1S/C18H10F2N2OS4/c1-24-17-18(25-2)22-13-8(3-7(19)4-10(13)21-17)11-5-12-16(26-11)14-15(27-12)9(20)6-23-14/h3-6H,1-2H3


key: InChI
value:
  InChI=1S/C27H17F5N2O3S5/c1-8-27(36-3)34-16-11(19-20(38-4)9(28)6-37-19)13(30)18(35-2)12(17(16)33-8)22-23(39-5)14(31)25(42-22)26-15(32)24-21(41-26)10(29)7-40-24/h6-7H,1-5H3


key: InChI
value:
  InChI=1S/C30H19F2N3O3S3SeSi/c1-10-18(21-22(34-41-33-21)19(20(10)32)24-11(2)28-25(38-24)12(31)9-39-28)23-27(36-4)29-13(35(23)3)7-14(40-29)15-8-17-30(42-15)26-16(43-17)5-6-37-26/h5-9H,43H2,1-4H3


key: InChI
value:
  InChI=1S/C29H26F2N4O4S2/c1-13-22(35(3)23(25(13)36-4)24-28(37-5)26-14(34(24)2)8-11-38-26)16-18(30)19(31)17(21-20(16)32-9-10-33-21)27-29(41-7)15(40-6)12-39-27/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C33H27FN6O3S3Se/c1-13-23-29(43-26(13)17-12-15-27(42-17)33-14(35-15)9-11-47-33)20(34)24(39(23)3)18-21-22(37-40(4)36-21)19(31(44-6)28(18)41-5)25-32(45-7)30-16(38(25)2)8-10-46-30/h8-12,35H,1-7H3


key: InChI
value:
  InChI=1S/C33H27F2N5O3S3/c1-14-23(26-27(37-46-36-26)24(25(14)35)29-15(2)32-30(43-29)17(34)13-44-32)28-31(42-7)33-21(40(28)5)11-22(45-33)19-9-8-18(39(19)4)20-10-16(41-6)12-38(20)3/h8-13H,1-7H3


key: InChI
value:
  InChI=1S/C32H21F6N3O4S3/c1-10-32(43-4)40-22-16(26-28(46-5)13(34)9-44-26)20(37)25(42-3)17(23(22)39-10)29-31(47-6)21(38)30(48-29)27-19(36)15-14(45-27)7-11-12(33)8-41(2)24(11)18(15)35/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C31H21F2N3O3S5/c1-12-21(24-25(35-44-34-24)22(23(12)33)27-13(2)30-28(39-27)15(32)11-41-30)26-29(37-4)31-16(36(26)3)9-20(43-31)19-7-6-18(42-19)17-8-14(40-5)10-38-17/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C33H28FN5O3S3SeSi/c1-13-23-29(42-26(13)15-12-17-27(41-15)33-16(47-17)9-11-46-33)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)8-10-45-30/h8-12H,47H2,1-7H3


key: InChI
value:
  InChI=1S/C32H21N3O6S3Se/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)27-31(44-4)30-20(41-27)9-17(39-30)16-8-15-28(38-16)32-14(34-15)5-6-45-32/h5-12,34H,1-4H3


key: InChI
value:
  InChI=1S/C35H32FN5O3S5/c1-15-10-12-47-31(15)19-14-18(42-6)33(49-19)28-16(2)25-30(44-28)22(36)26(40(25)4)20-23-24(38-41(5)37-23)21(34(45-8)29(20)43-7)27-35(46-9)32-17(39(27)3)11-13-48-32/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C26H10F2GeO5S2Se/c27-10-6-14(36-24(10)13-7-12-21(33-13)25-11(29-12)3-4-35-25)22-18-17(23(34-22)15-2-1-5-37-15)19(30)9-8-32-26(28)16(9)20(18)31/h1-8H,29H2


key: InChI
value:
  InChI=1S/C32H23F3N4O2S5/c1-12-20(23-24(37-46-36-23)21(22(12)35)27-13(2)30-28(41-27)15(34)11-43-30)26-29(40-5)31-16(39(26)4)9-17(44-31)18-10-19(42-6)32(45-18)25-14(33)7-8-38(25)3/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C34H27FN4O6S3/c1-12-19(30-32(40-6)33-28(45-30)15(35)10-41-33)21-22(37-48-36-21)20(34(12)47-8)26-14(3)24-27(44-26)13(2)23(39(24)5)16-9-17-25(38(16)4)31-29(43-17)18(46-7)11-42-31/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C33H23F2N3O6S4/c1-10-15(25-26(39-5)27-23(43-25)13(34)8-40-27)17-18(37-48-36-17)16(30(10)45-6)21-11(2)19-22(42-21)12(3)20(38(19)4)31-33(46-7)29-32(47-31)28-24(44-29)14(35)9-41-28/h8-9H,1-7H3


key: InChI
value:
  InChI=1S/C34H28FN3O6S4/c1-13-20(30-31(40-6)32-28(44-30)16(35)12-41-32)22-23(37-48-36-22)21(33(13)46-8)26-15(3)25-27(43-26)14(2)24(38(25)4)17-11-18(39-5)29(42-17)34-19(45-7)9-10-47-34/h9-12H,1-8H3


key: InChI
value:
  InChI=1S/C24H6F4O4S3Se/c25-8-4-10(34-20(8)23-15(27)22-21(35-23)9(26)6-33-22)18-14-13(19(32-18)11-2-1-3-36-11)16(29)7-5-31-24(28)12(7)17(14)30/h1-6H


key: InChI
value:
  InChI=1S/C29H18F2N2O5SSe/c1-32-11-13(36-3)9-18(32)16-6-7-17(33(16)2)28-15(30)10-19(39-28)26-23-22(27(38-26)20-5-4-8-40-20)24(34)14-12-37-29(31)21(14)25(23)35/h4-12H,1-3H3


key: InChI
value:
  InChI=1S/C33H28F2N6O3S2SeSi/c1-38-12-16(42-5)24-26(38)31(45-6)25(40(24)3)19-14(34)10-13(21-22(19)37-41(4)36-21)28-32(46-7)27-30(44-28)20(35)23(39(27)2)15-11-18-29(43-15)33-17(48-18)8-9-47-33/h8-12H,48H2,1-7H3


key: InChI
value:
  InChI=1S/C33H27F3N4O2S5/c1-39-17(25-26-16(11-21(43-4)29(25)45-6)37-30(34)33(38-26)46-7)10-15-24(19-13-20(41-3)32(36)42-19)28-14(8-9-47-28)23(27(15)39)18-12-22(44-5)31(35)40(18)2/h8-13H,1-7H3


key: InChI
value:
  InChI=1S/C33H28F2GeN6O3S3/c1-39-12-18(43-5)24-26(39)32(46-6)25(41(24)3)19-14(34)10-13(21-22(19)38-42(4)37-21)28-33(47-7)27-30(45-28)20(35)23(40(27)2)17-11-16-29(44-17)31-15(36-16)8-9-48-31/h8-12H,36H2,1-7H3


key: InChI
value:
  InChI=1S/C33H28F2N6O2S3SeSi/c1-38-12-15(42-5)23-26(38)31(44-6)25(39(23)2)19-14(34)10-13(21-22(19)37-41(4)36-21)28-32(45-7)27-29(43-28)20(35)24(40(27)3)16-11-18-33(47-16)30-17(48-18)8-9-46-30/h8-12H,48H2,1-7H3


key: InChI
value:
  InChI=1S/C28H14F3NO4S3Se/c1-32-6-5-12(29)21(32)27-15(37-2)9-16(39-27)26-13(30)8-14(38-26)24-20-19(25(36-24)17-4-3-7-40-17)22(33)11-10-35-28(31)18(11)23(20)34/h3-10H,1-2H3


key: InChI
value:
  InChI=1S/C35H32FN5O2S5/c1-15-13-18(19-11-10-12-47-19)42-29(15)30-17(3)32-31(43-30)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(c2nn(nc12)C)c1c(c2c(c(cn2C)SC)n1C)SC)C)F)c1c(c2c(s1)c(c(o2)c1oc2c3[se]ccc3[SiH2]c2c1)C)SC	


key: InChI
value:
  InChI=1S/C34H30FN5O2S4SeSi/c1-13-19(25-32(44-7)26-24(39(25)4)16(43-6)12-38(26)3)22-23(37-40(5)36-22)20(21(13)35)31-33(45-8)29-30(46-31)14(2)27(42-29)15-11-18-28(41-15)34-17(48-18)9-10-47-34/h9-12H,48H2,1-8H3


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)c1[se]c2c3[se]ccc3[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([se]1)c1c([nH]2)cc[se]1	


key: InChI
value:
  InChI=1S/C45H39F2N5O2S2Se2/c1-21-14-24(17-34(53-6)42(21)54-7)36-37(25-15-29(46)43(56-9)30(47)16-25)49-38-27(33-18-26(55-8)20-51(33)4)10-11-28(39(38)50-36)40-22(2)23(3)41(52(40)5)35-19-32-45(58-35)44-31(48-32)12-13-57-44/h10-20,48H,1-9H3


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(o2)C)SC)ccs3)c2cc(c(F)n2C)OC)c1OC)F)SC	


key: CAN_SMILES
value:
  CSc1cc(oc1C)c1c2oc(c(c2c(c2c1ccs2)c1cc(c(n1C)F)OC)OC)c1c(F)c2c(n1C)c(c(o2)c1cc(F)c(c2c1nn(n2)C)c1n(C)c2c(c1SC)n(cc2OC)C)SC	


key: InChI
value:
  InChI=1S/C48H42F3N7O6S4/c1-19-27(65-10)17-24(62-19)28-20-13-14-68-45(20)30(23-16-25(59-7)48(51)55(23)3)31-41(28)64-44(42(31)61-9)37-32(50)43-39(57(37)5)47(67-12)40(63-43)21-15-22(49)29(34-33(21)52-58(6)53-34)36-46(66-11)38-35(56(36)4)26(60-8)18-54(38)2/h13-18H,1-12H3


key: InChI
value:
  InChI=1S/C15H9N3OSSe2/c1-19-10-3-2-7-13(18-20-17-7)12(10)11-6-9-15(22-11)14-8(16-9)4-5-21-14/h2-6,16H,1H3


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(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1)SC)C	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)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/C66H52F2N2O4S9/c1-29-15-34(20-39(16-29)71-6)51-42-26-48(82-63(42)52(50-32(4)28-80-64(50)51)35-19-38(67)24-40(21-35)75-9)60-65(78-12)66-59(74-60)33(5)62(83-66)53-44(72-7)25-41(46-27-47-45(81-46)13-14-79-47)56-57(53)70-54(36-17-30(2)58(73-8)43(68)22-36)55(69-56)37-18-31(3)61(77-11)49(23-37)76-10/h13-28H,1-12H3


key: InChI
value:
  InChI=1S/C15H9N3O2S2/c1-19-10-3-2-7-13(18-22-17-7)12(10)11-6-9-14(20-11)15-8(16-9)4-5-21-15/h2-6,16H,1H3


key: InChI
value:
  InChI=1S/C36H32N4O4S2SeSi/c1-15-25(30-16(2)33-31(40(30)5)20(41-6)14-43-33)28-27(37-13-24(38-28)45-8)26(32(15)42-7)21-11-18-35(46-21)17(3)29(39(18)4)19-12-23-34(44-19)36-22(48-23)9-10-47-36/h9-14H,48H2,1-8H3


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)c1c(cc(c2c(ccn2C)SC)o1)OC	


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3oc(cc3OC)c3c(SC)ccn3C)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


key: InChI
value:
  InChI=1S/C48H47FN4O5S5/c1-24-17-26(18-25(2)38(24)49)39-40(27-19-28(54-5)21-29(20-27)59-8)50-41-36(47(62-11)48(63-12)37(42(41)51-39)44-46(61-10)34(56-7)23-53(44)4)30-13-14-31(57-30)45-33(55-6)22-32(58-45)43-35(60-9)15-16-52(43)3/h13-23H,1-12H3


key: InChI
value:
  InChI=1S/C17H15N3OS/c1-10-6-7-12-16(19-20(3)18-12)15(10)17-11(2)9-13(21-17)14-5-4-8-22-14/h4-9H,1-3H3


key: InChI
value:
  InChI=1S/C29H17FO3S7/c1-12-9-17(37-11-12)26-20-19(23(31)21-22(24(20)32)29(35-3)40-28(21)30)25(33-26)14-7-6-13(38-14)16-10-18(34-2)27(39-16)15-5-4-8-36-15/h4-11H,1-3H3


key: InChI
value:
  InChI=1S/C36H31N5O4S2Se/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(47-23)17(3)29(40(20)4)21-11-19-34(45-21)36-18(38-19)9-10-48-36/h9-14,38H,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)c1oc2c3[se]ccc3[SiH2]c2c1)F	


key: CAN_SMILES
value:
  CSc1c(c2cc3c(s2)c(c(n3C)c2cc3c(o2)c2c([SiH2]3)cc[se]2)F)c2nc(c3cc(C)cc(c3)C)c(nc2c(c1C)c1n(C)c2c(c1F)scc2SC)c1ccc(c(c1)OC)C	


key: InChI
value:
  InChI=1S/C49H40F2N4O2S4SeSi/c1-21-14-22(2)16-26(15-21)39-38(25-11-10-23(3)28(17-25)56-7)52-40-34(44-37(51)48-43(55(44)6)31(58-8)20-60-48)24(4)46(59-9)35(41(40)53-39)30-18-27-47(61-30)36(50)42(54(27)5)29-19-33-45(57-29)49-32(63-33)12-13-62-49/h10-20H,63H2,1-9H3


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(c3c(c4c(c(co4)F)o3)s2)SC)F)n1C)F	


key: CAN_SMILES
value:
  COc1c(SC)c(c2c(c1c1n(C)c3c(c1F)sc(c3F)c1sc3c(c1SC)oc1c3occ1F)nc(c(n2)c1cc(OC)c(c(c1)SC)F)c1cc(C)cc(c1)F)c1sc2c(c1F)scc2F	


key: InChI
value:
  InChI=1S/C47H28F7N3O4S7/c1-15-8-16(10-18(48)9-15)29-30(17-11-21(58-3)25(51)22(12-17)62-5)56-32-24(40-28(54)43-39(66-40)20(50)14-65-43)41(63-6)36(59-4)23(31(32)55-29)33-26(52)42-34(57(33)2)27(53)44(67-42)47-46(64-7)38-45(68-47)37-35(61-38)19(49)13-60-37/h8-14H,1-7H3


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)c1cc2c(c3c(c(co3)F)s2)s1)SC)F	


key: CAN_SMILES
value:
  CSc1c(c2cc3c(s2)c2c(s3)c(co2)F)n(c2c1sc(c2F)c1c(SC)c(C)c(c2c1nc(OC)c(n2)OC)c1c(SC)c2c(n1C)c(co2)C)C	


key: InChI
value:
  InChI=1S/C37H30F2N4O4S6/c1-13-11-46-27-23(13)42(3)25(33(27)49-8)18-14(2)29(48-7)19(22-21(18)40-36(44-5)37(41-22)45-6)32-20(39)26-35(53-32)34(50-9)24(43(26)4)16-10-17-31(51-16)28-30(52-17)15(38)12-47-28/h10-12H,1-9H3


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)c1oc2c(c(c3c(c2)c(cn3C)F)F)c1F)F	


key: CAN_SMILES
value:
  COc1c(OC)c(c2c(c1c1cc3c(s1)c(c(n3C)c1oc3c(c1F)c(F)c1c(c3)c(F)cn1C)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/C52H38F6N4O6S3/c1-19-18-69-52-48(67-10)51(71-49(19)52)35-42-41(59-40(23-13-29(63-6)21(3)30(14-23)64-7)39(60-42)22-11-25(53)20(2)26(54)12-22)34(45(65-8)46(35)66-9)32-16-28-50(70-32)38(58)44(62(28)5)47-37(57)33-31(68-47)15-24-27(55)17-61(4)43(24)36(33)56/h11-18H,1-10H3


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(c3OC)c(co4)C)F)c2F)F)n1C)F	


key: CAN_SMILES
value:
  COc1c(SC)c(c2c(c1c1n(C)c3c(c1F)sc(c3F)c1oc3c(c1F)c(F)c1c(c3OC)c(C)co1)nc(c(n2)c1cc(OC)c(c(c1)SC)F)c1cc(C)cc(c1)F)c1sc2c(c1F)scc2F	


key: InChI
value:
  InChI=1S/C50H31F8N3O5S5/c1-16-9-18(11-20(51)10-16)34-35(19-12-22(62-4)28(53)23(13-19)67-7)60-37-27(46-33(58)50-45(70-46)21(52)15-69-50)47(68-8)43(64-6)26(36(37)59-34)38-31(56)48-39(61(38)3)32(57)49(71-48)44-30(55)25-29(54)40-24(17(2)14-65-40)41(63-5)42(25)66-44/h9-15H,1-8H3


key: InChI
value:
  InChI=1S/C33H27N3O5S5/c1-14-12-36(2)26-30(14)46-31(32(26)44-6)19-10-18-29(41-19)33(45-7)27(40-18)15-8-21(42-4)23(25-24(15)35-22(43-5)11-34-25)16-9-17-28(39-16)20(37-3)13-38-17/h8-13H,1-7H3


key: InChI
value:
  InChI=1S/C32H22N2O6S3SeSi/c1-35-18-12-37-16-9-15(39-28(16)18)24-19(41-2)7-13(25-26(24)33-11-23(34-25)42-3)27-31(43-4)29-17(40-27)8-14(38-29)20-10-22-32(44-20)30-21(45-22)5-6-36-30/h5-12H,45H2,1-4H3


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(cc(c2cccn2C)o1)C)F	


key: CAN_SMILES
value:
  COc1c(OC)c(c2c(c1c1cc3c(s1)c(c(n3C)c1oc(cc1C)c1cccn1C)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/C51H43F3N4O6S3/c1-22-15-34(30-13-12-14-57(30)5)64-44(22)43-38(54)49-31(58(43)6)20-35(66-49)36-41-42(37(46(62-10)45(36)61-9)50-47(63-11)51-48(67-50)23(2)21-65-51)56-39(26-16-28(52)24(3)29(53)17-26)40(55-41)27-18-32(59-7)25(4)33(19-27)60-8/h12-21H,1-11H3


key: InChI
value:
  InChI=1S/C34H26N2O6S5/c1-15-7-8-46-32(15)24-12-20(37-2)33(47-24)21-11-19-31(42-21)34(45-6)29(41-19)16-9-23(43-4)26(28-27(16)36-25(44-5)13-35-28)17-10-18-30(40-17)22(38-3)14-39-18/h7-14H,1-6H3


key: InChI
value:
  InChI=1S/C30H18F2N2O5S5/c1-35-17-9-36-14-6-13(37-25(14)17)20-18(40-2)5-11(22-23(20)33-8-19(34-22)41-3)24-30(42-4)26-15(38-24)7-16(39-26)28-21(32)29-27(44-28)12(31)10-43-29/h5-10H,1-4H3


key: InChI
value:
  InChI=1S/C34H25F2N3O4S6/c1-39-15(17-7-8-18(48-17)28-16(40-2)9-10-42-28)11-19-26(39)33(46-6)32(49-19)21-23(36)31(45-5)22(25-24(21)37-12-20(38-25)44-4)29-30(41-3)34-27(43-29)14(35)13-47-34/h7-13H,1-6H3


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(c2C)c(co3)C)C)c1F)SC)F	


key: CAN_SMILES
value:
  COc1nc2c(nc1OC)c(c(c(c2c1sc2c(c1F)n(c(c2SC)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1)C)SC)C)c1c(SC)c2c(n1C)c(co2)C	


key: InChI
value:
  InChI=1S/C42H38F2N4O5S4/c1-15-13-51-32-18(4)21-24(43)34(53-33(21)17(3)20(15)32)31-39(56-12)40-30(48(31)7)25(44)37(57-40)23-27-26(45-41(49-8)42(46-27)50-9)22(19(5)36(23)54-10)29-38(55-11)35-28(47(29)6)16(2)14-52-35/h13-14H,1-12H3


key: InChI
value:
  InChI=1S/C16H13GeN3SSe/c1-8-3-4-11-14(19-20(2)18-11)13(8)12-7-10-15(21-12)16-9(17-10)5-6-22-16/h3-7H,17H2,1-2H3


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(c2C)c(co3)C)C)c1F)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)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1	


key: InChI
value:
  InChI=1S/C53H42F2N2O5S6/c1-21-14-27(16-30(54)44(21)59-8)40-41(28-15-22(2)50(64-10)35(17-28)63-9)56-42-29(33-19-34-32(67-33)12-13-66-34)18-31(58-7)38(43(42)57-40)51-26(6)47-53(68-51)52(65-11)49(62-47)48-39(55)37-25(5)45-36(23(3)20-60-45)24(4)46(37)61-48/h12-20H,1-11H3


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)c1cc2c(c3c(c(co3)C)o2)n1C)F	


key: CAN_SMILES
value:
  CSc1c(c2cc3c(s2)c(c(n3C)c2cc3c(n2C)c2c(o3)c(co2)C)F)c2nc(c3cc(C)cc(c3)C)c(nc2c(c1C)c1n(C)c2c(c1F)scc2SC)c1ccc(c(c1)OC)C	


key: InChI
value:
  InChI=1S/C51H43F2N5O3S4/c1-22-14-23(2)16-28(15-22)40-39(27-13-12-24(3)31(17-27)59-9)54-41-35(46-38(53)51-45(58(46)8)34(62-10)21-64-51)26(5)49(63-11)36(42(41)55-40)33-19-30-50(65-33)37(52)43(57(30)7)29-18-32-44(56(29)6)48-47(61-32)25(4)20-60-48/h12-21H,1-11H3


