# text_key_values

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(cc(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)c6c(cc(c7c(ccs7)C)s6)OC)F)n5C)F)OC)SC)s4)F)s3)F)C)s2)OC)F)n1C)F	


key: CAN_SMILES
value:
  COc1cc(sc1c1sc2c(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)c1sc(cc1C)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)c1sc(cc1OC)c1sccc1C)F	


key: InChI
value:
  InChI=1S/C96H64F12N6O6S14/c1-33-19-37(24-41(97)21-33)66-68(39-26-44(115-7)57(100)48(28-39)121-13)111-72-55(86-64(107)92-82(130-86)43(99)32-126-92)88(123-15)78(119-11)53(70(72)109-66)74-60(103)91-77(114(74)6)62(105)94(134-91)84-47(118-10)31-52(129-84)81-36(4)23-50(127-81)85-63(106)95-96(131-85)65(108)87(132-95)56-73-71(110-67(38-20-34(2)22-42(98)25-38)69(112-73)40-27-45(116-8)58(101)49(29-40)122-14)54(79(120-12)89(56)124-16)75-59(102)90-76(113(75)5)61(104)93(133-90)83-46(117-9)30-51(128-83)80-35(3)17-18-125-80/h17-32H,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)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)cc(s3)c2c(c3c(c(c(c4c(c(c(c5c4nc(c(n5)c4cc(c(c(c4)F)OC)F)c4cc(c(c(c4)C)OC)SC)c4c(c5c(s4)c(c(n5C)c4oc5c(c(c6c(c5c5cc(c(o5)C)SC)ccs6)c5cc(c(F)n5C)OC)c4OC)SC)OC)OC)SC)n3C)OC)s2)F)c2cc(c(F)n2C)OC)c1OC)SC)OC	


key: CAN_SMILES
value:
  CSc1cc(oc1C)c1c2cc(sc2c(c2c1oc(c2OC)c1c(SC)c2c(n1C)c(c(s2)c1c(OC)c(SC)c(c2c1nc(c1cc(F)c(c(c1)F)OC)c(n2)c1cc(C)c(c(c1)SC)OC)c1c(OC)c2c(n1C)c(cs2)F)OC)c1cc(c(n1C)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)c1oc2c(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)ccs1)C)C	


key: Name
value:
  A8-CH3_OCH3_SCH3_F_OCH3_F_F_OCH3_SCH3_OCH3_SCH3_OCH3-NCH3_S_S_NCH3-D9-CH3_SCH3_OCH3_F_OCH3_H-O_O_NCH3_S-p2


key: InChI
value:
  InChI=1S/C132H112F8N10O18S14/c1-49-35-53(41-72(171-27)102(49)153-13)86-88(55-37-59(133)104(155-15)60(134)38-55)143-92-83(110(159-19)121(173-29)81(90(92)141-86)95-114(161-21)125-94(147(95)7)63(137)48-178-125)123-117(164-24)101-130(181-123)128(176-32)99(150(101)10)113-109(158-18)80-78(65-45-69(152-12)132(140)146(65)6)119-58(76(107(80)168-113)67-47-71(170-26)52(4)166-67)43-74(179-119)120-85(138)97-126(180-120)115(162-22)96(148(97)8)82-91-93(144-89(56-39-61(135)105(156-16)62(136)40-56)87(142-91)54-36-50(2)103(154-14)73(42-54)172-28)84(111(160-20)122(82)174-30)124-116(163-23)100-129(182-124)127(175-31)98(149(100)9)112-108(157-17)79-77(64-44-68(151-11)131(139)145(64)5)118-57(33-34-177-118)75(106(79)167-112)66-46-70(169-25)51(3)165-66/h33-48H,1-32H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)OC)C)c1cc(cc(c1)C)C)c1c(c2c(c(cs2)SC)n1C)F)C)SC)c1cc2c(s1)c(c(n2C)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(c(s3)c1c(c2c(c(c(c3c(c(c(c4c3nc(c(n4)c3cc(cc(c3)C)C)c3ccc(c(c3)OC)C)c3cc4c(s3)c(c(n4C)c3c(c4c(c5c(c(c4n3C)c3ccc(s3)SC)c(cs5)SC)c3cc(c(s3)C)F)C)F)SC)C)n2C)F)s1)SC)SC)c1cc(c(s1)C)F)C)F	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)c(sc2c(c2c1n(C)c(c2C)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)c1cc(c(s1)C)F)c1sc2c(c1SC)n(c(c2F)c1c(C)c(SC)c(c2c1nc(c1ccc(c(c1)OC)C)c(n2)c1cc(C)cc(c1)C)c1sc2c(c1)n(c(c2F)c1c(C)c2c(n1C)c(c1ccc(s1)SC)c1c(c2c2cc(c(s2)C)F)scc1SC)C)C	


key: InChI
value:
  InChI=1S/C128H106F6N10O2S18/c1-51-37-52(2)40-65(39-51)101-99(63-31-29-55(5)71(43-63)145-19)135-103-85(112-95(131)124-109(143(112)17)80(148-22)50-156-124)59(9)117(151-25)92(105(103)137-101)77-48-70-120(161-77)98(134)115(140(70)14)108-58(8)84-90(76-46-68(130)62(12)158-76)122-94(88(111(84)142(108)16)74-34-36-82(150-24)160-74)123(153-27)127(163-122)128-126(154-28)116-125(164-128)96(132)113(144(116)18)86-60(10)118(152-26)93(106-104(86)136-100(64-32-30-56(6)72(44-64)146-20)102(138-106)66-41-53(3)38-54(4)42-66)78-47-69-119(162-78)97(133)114(139(69)13)107-57(7)83-89(75-45-67(129)61(11)157-75)121-91(79(147-21)49-155-121)87(110(83)141(107)15)73-33-35-81(149-23)159-73/h29-50H,1-28H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)F)C)c1cc(cc(c1)OC)SC)c1c(c(cn1C)OC)SC)SC)SC)c1ccc(o1)c1c(c2c(c3c(cc2n1C)c(c(s3)c1c(c(c(c2c(c(c(c3c2nc(c(n3)c2cc(cc(c2)OC)SC)c2cc(c(c(c2)C)F)C)c2ccc(o2)c2c(c3c(c4c(cc3n2C)c(cs4)F)SC)SC)SC)SC)n1C)SC)OC)F)SC)SC	


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3c(SC)c4c(n3C)cc3c(c4SC)scc3F)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1c(SC)c(c(n1C)c1sc2c(c1F)cc1c(c2SC)c(SC)c(n1C)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/C100H90F4N8O6S14/c1-43-29-47(30-44(2)71(43)102)74-76(49-33-51(113-9)37-53(35-49)119-13)105-78-67(95(126-20)97(128-22)69(80(78)107-74)84-90(121-15)64(115-11)41-109(84)5)60-25-28-63(117-60)83-92(123-17)66-59(111(83)7)40-56-73(104)99(132-89(56)94(66)125-19)86-87(116-12)100(130-24)85(112(86)8)70-81-79(106-77(50-34-52(114-10)38-54(36-50)120-14)75(108-81)48-31-45(3)72(103)46(4)32-48)68(96(127-21)98(70)129-23)61-26-27-62(118-61)82-91(122-16)65-58(110(82)6)39-55-57(101)42-131-88(55)93(65)124-18/h25-42H,1-24H3


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)c1c(c(c(n1C)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(c(s3)c1c(c(c(c2cc(c(c3c2nsn3)c2c(c(c(n2C)c2c(c3c(c4c(c(c3n2C)c2ccc(s2)SC)c(cs4)SC)c2cc(c(s2)C)F)C)C)SC)C)o1)F)SC)SC)c1cc(c(s1)C)F)C)C)SC	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)c(sc2c(c2c1n(C)c(c2C)c1n(C)c(c(c1C)SC)c1c(C)cc(c2c1nsn2)c1occ(c1F)SC)c1sc(c(c1)F)C)c1oc(c(c1SC)F)c1cc(C)c(c2c1nsn2)c1c(SC)c(c(n1C)c1n(C)c2c(c1C)c(c1sc(c(c1)F)C)c1c(c2c2ccc(s2)SC)c(SC)cs1)C	


key: InChI
value:
  InChI=1S/C84H70F4N8O2S16/c1-31-25-39(75-61(87)47(99-13)29-97-75)63-65(91-113-89-63)51(31)73-78(103-17)36(6)70(96(73)12)68-34(4)54-58(46-28-42(86)38(8)109-46)81-60(56(72(54)94(68)10)44-22-24-50(102-16)111-44)82(105-19)84(112-81)77-83(106-20)62(88)76(98-77)40-26-32(2)52(66-64(40)90-114-92-66)74-79(104-18)35(5)69(95(74)11)67-33(3)53-57(45-27-41(85)37(7)108-45)80-59(48(100-14)30-107-80)55(71(53)93(67)9)43-21-23-49(101-15)110-43/h21-30H,1-20H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1[se]c2c3sc(cc3[SiH2]c2c1)c1ccc(c2c(c(c(c3c2nc(c(n3)c2cc(c(c(c2)F)OC)OC)c2ccc(c(c2)C)F)c2cc(c(s2)c2[se]c3c4sccc4[SiH2]c3c2)C)SC)OC)n1C)C	


key: CAN_SMILES
value:
  COc1c(SC)c(c2sc(c(c2)C)c2cc3c([se]2)c2c([SiH2]3)ccs2)c2c(c1c1ccc(n1C)c1cc3c(s1)c1c([SiH2]3)cc([se]1)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/C86H68F4N6O6S6Se2Si2/c1-37-26-41(17-19-45(37)87)67-69(43-30-47(89)75(99-9)52(32-43)97-7)93-73-65(83(103-13)77(101-11)63(71(73)91-67)50-16-15-24-95(50)5)55-29-40(4)80(108-55)58-36-62-86(110-58)82-60(112-62)34-54(106-82)49-21-22-51(96(49)6)64-72-74(94-70(44-31-48(90)76(100-10)53(33-44)98-8)68(92-72)42-18-20-46(88)38(2)27-42)66(84(104-14)78(64)102-12)56-28-39(3)79(107-56)57-35-61-85(109-57)81-59(111-61)23-25-105-81/h15-36H,111-112H2,1-14H3


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)c1[se]c2c3oc(cc3[SiH2]c2c1)c1c(c2c(c(c(c3c(c(c(c4c3nc(c(n4)c3cc(cc(c3)C)C)c3ccc(c(c3)OC)C)c3cc4c(s3)c(c(n4C)c3[se]c4c5occc5[SiH2]c4c3)F)SC)C)n2C)F)s1)SC)F	


key: CAN_SMILES
value:
  CSc1c(c2cc3c(s2)c(c(n3C)c2cc3c([se]2)c2c([SiH2]3)cco2)F)c2nc(c3cc(C)cc(c3)C)c(nc2c(c1C)c1n(C)c2c(c1F)sc(c2SC)c1cc2c(o1)c1c([SiH2]2)cc([se]1)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)c1ccc(c(c1)OC)C	


key: InChI
value:
  InChI=1S/C98H78F4N8O4S8Se2Si2/c1-39-25-40(2)28-49(27-39)75-73(47-21-19-43(5)53(31-47)111-13)103-77-65(84-71(101)94-81(109(84)11)58(115-15)38-119-94)45(7)89(116-16)67(79(77)105-75)56-34-52-92(121-56)70(100)83(108(52)10)60-37-64-98(124-60)88-62(126-64)35-55(114-88)93-96(118-18)86-95(122-93)72(102)85(110(86)12)66-46(8)90(117-17)68(57-33-51-91(120-57)69(99)82(107(51)9)59-36-63-97(123-59)87-61(125-63)23-24-113-87)80-78(66)104-74(48-22-20-44(6)54(32-48)112-14)76(106-80)50-29-41(3)26-42(4)30-50/h19-38H,125-126H2,1-18H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)F)C)c1cc(cc(c1)OC)SC)c1c(c(cn1C)OC)SC)SC)SC)c1ccc(o1)c1c(c2c(c(c(o2)c2c(c(c(c3c(c(c(c4c3nc(c(n4)c3cc(cc(c3)OC)SC)c3cc(c(c(c3)C)F)C)c3ccc(o3)c3c(c4c(c(co4)OC)n3C)OC)SC)SC)n2C)SC)OC)OC)n1C)OC	


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3c(OC)c4c(n3C)c(co4)OC)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1c(SC)c(c(n1C)c1oc2c(c1OC)n(c(c2OC)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)C)OC)SC	


key: InChI
value:
  InChI=1S/C92H88F2N8O12S8/c1-41-29-45(30-42(2)63(41)93)65-67(47-33-49(103-9)37-51(35-47)115-17)95-69-59(88(118-20)90(120-22)61(71(69)97-65)76-87(117-19)57(105-11)39-99(76)5)53-26-28-56(113-53)74-81(108-14)84-78(101(74)7)82(109-15)85(114-84)79-86(110-16)92(122-24)77(102(79)8)62-72-70(96-68(48-34-50(104-10)38-52(36-48)116-18)66(98-72)46-31-43(3)64(94)44(4)32-46)60(89(119-21)91(62)121-23)54-25-27-55(112-54)73-80(107-13)83-75(100(73)6)58(106-12)40-111-83/h25-40H,1-24H3


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(c2c2cc(cc(c2)F)SC)c(c(s3)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(c5c5cc(cc(c5)F)SC)c(cs6)C)c5cc(cc(c5)C)OC)c4)F)SC)C)n3C)F)s2)SC)C)c2cc(cc(c2)C)OC)c1)F	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2sc(c(c2c(c2c1cc(s2)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)c1cc(F)cc(c1)SC)C)c1sc2c(c1SC)n(c(c2F)c1c(C)c(SC)c(c2c1nc(c1ccc(c(c1)OC)C)c(n2)c1cc(C)cc(c1)C)c1sc2c(c1)n(c(c2F)c1cc2c(s1)c(c1cc(F)cc(c1)SC)c1c(c2c2cc(C)cc(c2)OC)scc1C)C)C	


key: InChI
value:
  InChI=1S/C134H108F6N8O4S14/c1-57-31-58(2)36-75(35-57)110-108(69-29-27-63(7)87(47-69)151-19)141-112-96(119-106(139)131-118(147(119)15)93(155-23)56-160-131)67(11)122(156-24)102(114(112)143-110)89-54-86-128(161-89)105(138)117(146(86)14)92-52-84-99(72-34-62(6)40-80(44-72)150-18)130-95(101(126(84)164-92)74-42-78(136)50-82(46-74)154-22)66(10)124(165-130)134-133(158-26)121-132(166-134)107(140)120(148(121)16)97-68(12)123(157-25)103(115-113(97)142-109(70-30-28-64(8)88(48-70)152-20)111(144-115)76-37-59(3)32-60(4)38-76)90-53-85-127(162-90)104(137)116(145(85)13)91-51-83-98(71-33-61(5)39-79(43-71)149-17)129-94(65(9)55-159-129)100(125(83)163-91)73-41-77(135)49-81(45-73)153-21/h27-56H,1-26H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)OC)C)c1cc(cc(c1)C)C)c1c(c2c(c(cs2)SC)n1C)F)C)SC)c1cc2c(s1)c(c(n2C)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(c(s3)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(c5c5cc(c(c(c5)C)F)F)c(cs6)OC)c5ccc(cc5)C)c4C)F)SC)C)n3C)F)s2)SC)OC)c2ccc(cc2)C)c1C)F	


key: CAN_SMILES
value:
  COc1cc(ccc1C)c1nc2c(nc1c1cc(C)cc(c1)C)c(c1sc3c(c1)n(c(c3F)c1oc3c(c1C)c(c1ccc(cc1)C)c1c(c3c3cc(C)c(c(c3)F)F)c(OC)cs1)C)c(c(c2c1c(F)c2c(n1C)c(c(s2)c1sc2c(c1OC)c(c1cc(C)c(c(c1)F)F)c1c(c2c2ccc(cc2)C)c(C)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/C134H106F8N8O6S10/c1-55-27-33-69(34-28-55)93-87-65(11)119(155-121(87)91(95-83(153-21)53-161-128(93)95)73-45-63(9)99(137)77(135)47-73)116-103(141)126-79(147(116)15)51-85(164-126)97-112-110(144-106(72-38-32-62(8)82(50-72)152-20)108(146-112)76-43-59(5)40-60(6)44-76)90(68(14)125(97)159-25)115-102(140)131-118(150(115)18)132(160-26)134(166-131)133-123(154-22)98-92(74-46-64(10)100(138)78(136)48-74)122-88(94(129(98)165-133)70-35-29-56(2)30-36-70)66(12)120(156-122)117-104(142)127-80(148(117)16)52-84(163-127)96-111-109(89(67(13)124(96)158-24)114-101(139)130-113(149(114)17)86(157-23)54-162-130)143-105(71-37-31-61(7)81(49-71)151-19)107(145-111)75-41-57(3)39-58(4)42-75/h27-54H,1-26H3


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(c2c2cc(c(c(c2)C)F)F)c(c(s3)c2cc3c(cc(c4cc(c(c5c4nc(c(n5)c4cc(c(c(c4)F)OC)C)c4cc(c(c(c4)SC)SC)C)c4c(c5c(s4)c(c(o5)c4oc5c(c(c6c(c5c5cc(c(c(c5)C)F)F)c(cs6)OC)c5ccc(cc5)C)c4C)SC)C)OC)s3)s2)OC)c2ccc(cc2)C)c1C)SC)C	


key: CAN_SMILES
value:
  CSc1cc(cc(c1SC)C)c1nc2c(cc(c(c2nc1c1cc(C)c(c(c1)F)OC)c1sc2c(c1C)oc(c2SC)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1)OC)c1cc2c(s1)cc(s2)c1sc2c(c1OC)c(c1cc(C)c(c(c1)F)F)c1c(c2c2ccc(cc2)C)c(C)c(o1)c1oc2c(c1SC)sc(c2C)c1c(OC)cc(c2c1nc(c1cc(C)c(c(c1)F)OC)c(n2)c1cc(C)c(c(c1)SC)SC)c1sc2c(c1)scc2	


key: InChI
value:
  InChI=1S/C132H100F6N4O10S14/c1-53-25-29-65(30-26-53)95-91-61(9)113(149-117(91)93(97-81(145-15)52-160-127(95)97)67-35-55(3)101(137)75(133)41-67)120-129(157-23)131-115(151-120)63(11)125(165-131)99-80(144-14)48-74(108-110(99)142-104(70-38-58(6)112(147-17)78(136)44-70)106(140-108)72-40-60(8)123(156-22)89(46-72)154-20)84-50-86-87(162-84)51-90(163-86)126-119(148-18)100-94(68-36-56(4)102(138)76(134)42-68)118-92(96(128(100)166-126)66-31-27-54(2)28-32-66)62(10)114(150-118)121-130(158-24)132-116(152-121)64(12)124(164-132)98-79(143-13)47-73(83-49-85-82(161-83)33-34-159-85)107-109(98)141-103(69-37-57(5)111(146-16)77(135)43-69)105(139-107)71-39-59(7)122(155-21)88(45-71)153-19/h25-52H,1-24H3


key: InChI
value:
  InChI=1S/C16H12N4OS/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/C18H10F4N4O/c1-25-6-10(20)8-5-12-13(14(21)17(8)25)15(22)18(27-12)9-3-7(19)4-11-16(9)24-26(2)23-11/h3-6H,1-2H3


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


key: InChI
value:
  InChI=1S/C34H28N6O4S2/c1-17-7-8-20-31(37-39(3)35-20)28(17)24-10-12-27(46-24)34-23(42-6)16-22(44-34)19-15-18(2)29(32-30(19)36-40(4)38-32)25-9-11-26(45-25)33-21(41-5)13-14-43-33/h7-16H,1-6H3


key: InChI
value:
  InChI=1S/C16H12FN3OS2/c1-20-18-12-6-9(17)5-11(16(12)19-20)14-3-4-15(23-14)13-7-10(22-2)8-21-13/h3-8H,1-2H3


key: InChI
value:
  InChI=1S/C32H22F2N6O2S4/c1-39-35-20-10-15(33)9-17(29(20)36-39)23-6-8-26(46-23)22-13-27(44-4)32(42-22)28-19(34)12-18(30-31(28)38-40(2)37-30)24-5-7-25(45-24)21-11-16(43-3)14-41-21/h5-14H,1-4H3


key: InChI
value:
  InChI=1S/C15H7F2N3O2S/c1-20-18-9-3-6(16)2-7(12(9)19-20)11-4-10-15(23-11)14-13(22-10)8(17)5-21-14/h2-5H,1H3


key: InChI
value:
  InChI=1S/C21H19FN4S3/c1-10-6-7-13-17(24-26(3)23-13)15(10)18-20(27-4)16-14(25(18)2)8-11-12(22)9-29-19(11)21(16)28-5/h6-9H,1-5H3


key: InChI
value:
  InChI=1S/C36H30N4O8S4/c1-15-11-19(45-30(15)35-21(49-7)9-10-51-35)25-28-29(40-48-39-28)26(34(44-6)33(25)43-5)22-14-23(50-8)36(52-22)31-16(2)12-18(46-31)24-27-17(37-47-38-27)13-20(41-3)32(24)42-4/h9-14H,1-8H3


key: InChI
value:
  InChI=1S/C17H14N2O5S/c1-20-10-6-7-23-16(10)13-5-4-12(25-13)14-15-9(18-24-19-15)8-11(21-2)17(14)22-3/h4-8H,1-3H3


key: InChI
value:
  InChI=1S/C20H14F2N2O6/c1-7-6-28-17-10(7)19(27-4)20-11(13(17)21)14(22)18(29-20)12-15-8(23-30-24-15)5-9(25-2)16(12)26-3/h5-6H,1-4H3


key: InChI
value:
  InChI=1S/C33H32FN5OS3/c1-15-10-11-19-29(36-39(7)35-19)24(15)31-28(34)27-26(21-12-16(2)18(4)43-21)32-23(17(3)14-40-32)25(30(27)38(31)6)20-13-22(41-8)33(42-9)37(20)5/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C32H20N6O8S2/c1-39-18-7-12-23(36-45-35-12)20(28(18)40-2)16-9-14-27(44-16)32-15(34-14)10-19(48-32)22-25-24(37-46-38-25)21(29(41-3)30(22)42-4)17-8-13-26(43-17)31-11(33-13)5-6-47-31/h5-10,33-34H,1-4H3


key: SMILES
value:
  c1(cc(cc2nn(nc12)C)F)c1oc2c(c(c3c(c2C)c(c(o3)c2c(cc(c3c2nn(n3)C)c2oc3c(c(c4c(c3C)c(co4)C)C)c2F)F)C)C)c1F	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(c(cc2c1oc2c(c1F)c(C)c1c(c2C)c(C)co1)F)c1oc2c(c1C)c(C)c1c(c2C)c(F)c(o1)c1cc(F)cc2c1nn(n2)C	


key: InChI
value:
  InChI=1S/C40H28F4N6O4/c1-13-12-51-34-17(5)26-29(43)40(53-36(26)14(2)24(13)34)21-11-22(42)28(33-32(21)47-50(8)48-33)38-16(4)25-15(3)37-27(18(6)35(25)52-38)30(44)39(54-37)20-9-19(41)10-23-31(20)46-49(7)45-23/h9-12H,1-8H3


key: InChI
value:
  InChI=1S/C20H15F2N3O2/c1-8-7-26-18-10(3)15-16(22)20(27-19(15)9(2)14(8)18)12-5-11(21)6-13-17(12)24-25(4)23-13/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C34H27FN2O4S3/c1-16-7-18(10-21(8-16)38-3)28-23-13-26(30-31-24(36-41-37-31)14-25(39-4)32(30)40-5)44-33(23)29(27-17(2)15-43-34(27)28)19-9-20(35)12-22(11-19)42-6/h7-15H,1-6H3


key: InChI
value:
  InChI=1S/C34H27F3N4O2S2/c1-16-11-17(7-8-25(16)42-4)26-20-9-10-40(2)30(20)27(18-12-22(36)31(43-5)23(37)13-18)28-33(26)45-32(34(28)44-6)21-14-19(35)15-24-29(21)39-41(3)38-24/h7-15H,1-6H3


key: InChI
value:
  InChI=1S/C35H29F2N3O5S2/c1-16-12-17(8-9-23(16)41-3)25-19-10-11-40(2)30(19)26(18-13-20(36)31(43-5)21(37)14-18)27-33(25)47-35(34(27)46-7)28-29-22(38-45-39-29)15-24(42-4)32(28)44-6/h8-15H,1-7H3


key: SMILES
value:
  c1(cc(cc2nn(nc12)C)F)c1sc2c(c(c3c(c2c2cc(c(cc2)OC)C)cc(n3C)c2c(cc(c3c2nn(n3)C)c2sc3c(c(c4c(c3c3cc(c(cc3)OC)C)ccn4C)c3cc(c(c(c3)F)OC)F)c2SC)F)c2cc(c(c(c2)F)OC)F)c1SC	


key: CAN_SMILES
value:
  COc1ccc(cc1C)c1c2sc(c(c2c(c2c1cc(n2C)c1c(F)cc(c2c1nn(n2)C)c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)ccn1C)c1cc(F)c(c(c1)F)OC)SC)c1cc(F)cc2c1nn(n2)C	


key: InChI
value:
  InChI=1S/C68H52F6N8O4S4/c1-29-19-31(13-15-47(29)83-7)49-36-17-18-79(3)59(36)51(33-21-41(71)61(85-9)42(72)22-33)54-65(49)90-64(67(54)87-11)39-27-40(70)53(58-57(39)77-82(6)78-58)46-28-37-50(32-14-16-48(84-8)30(2)20-32)66-55(52(60(37)80(46)4)34-23-43(73)62(86-10)44(74)24-34)68(88-12)63(89-66)38-25-35(69)26-45-56(38)76-81(5)75-45/h13-28H,1-12H3


key: InChI
value:
  InChI=1S/C27H12F2O5S2Se/c1-11-8-14(15-4-2-6-35-15)33-23(11)26-13(28)9-16(36-26)24-20-19(25(34-24)17-5-3-7-37-17)21(30)12-10-32-27(29)18(12)22(20)31/h2-10H,1H3


key: InChI
value:
  InChI=1S/C15H10FN3SSeSi/c1-19-17-9-5-7(16)4-8(13(9)18-19)10-6-12-15(21-10)14-11(22-12)2-3-20-14/h2-6H,22H2,1H3


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1c(cc(c2ccc(s2)c2ccc(c3c4c(c(o3)c3cc(c(s3)c3c(cc(c5cccs5)o3)C)F)C(=O)c3c(C4=O)coc3F)[se]2)o1)C)F	


key: CAN_SMILES
value:
  Cc1cc(oc1c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1)c1ccc(s1)c1ccc([se]1)c1oc(c2c1C(=O)c1c(C2=O)c(oc1)F)c1cc(c(s1)c1oc(cc1C)c1cccs1)F	


key: InChI
value:
  InChI=1S/C54H22F4O10S4Se2/c1-19-13-25(27-5-3-11-69-27)65-45(19)51-23(55)16-31(72-51)48-40-38(42(60)22-18-64-54(58)36(22)44(40)62)50(68-48)34-10-9-32(74-34)29-8-7-28(70-29)26-14-20(2)46(66-26)52-24(56)15-30(71-52)47-39-37(49(67-47)33-6-4-12-73-33)41(59)21-17-63-53(57)35(21)43(39)61/h3-18H,1-2H3


key: CAN_SMILES
value:
  Fc1cc2nn(nc2c(c1)c1cc2c([se]1)c1c([SiH2]2)cc(s1)c1c(F)cc(c2c1nn(n2)C)c1cc2c([se]1)c1c([SiH2]2)ccs1)C	


key: InChI
value:
  InChI=1S/C30H18F2N6S2Se2Si2/c1-37-33-15-6-11(31)5-12(24(15)34-37)17-9-22-30(42-17)28-20(44-22)8-16(40-28)23-14(32)7-13(25-26(23)36-38(2)35-25)18-10-21-29(41-18)27-19(43-21)3-4-39-27/h3-10H,43-44H2,1-2H3


key: InChI
value:
  InChI=1S/C26H9F2NO5S2Se/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/h1-8,29H


key: InChI
value:
  InChI=1S/C16H12N2O2S3/c1-19-11-4-3-10-16(18-23-17-10)15(11)14-6-5-13(22-14)12-7-9(21-2)8-20-12/h3-8H,1-2H3


key: InChI
value:
  InChI=1S/C36H30F2N6O2S8/c1-43-10-9-15(37)30(43)33-22(48-4)14-20(53-33)26-29-28(41-46-42-29)24(35(51-7)36(26)52-8)18-11-16(38)31(44(18)2)34-23(49-5)13-19(54-34)25-27-17(39-45-40-27)12-21(47-3)32(25)50-6/h9-14H,1-8H3


key: InChI
value:
  InChI=1S/C17H14N2O3S3/c1-20-10-5-4-9-15(19-25-18-9)14(10)11-8-12(21-2)16(22-11)17-13(23-3)6-7-24-17/h4-8H,1-3H3


key: InChI
value:
  InChI=1S/C30H17FGeO7S2/c1-35-13-3-4-14-15(8-13)25(34)23-22(24(14)33)27(18-7-12(31)11-37-18)39-28(23)21-10-19(36-2)30(41-21)20-9-17-26(38-20)29-16(32-17)5-6-40-29/h3-11H,32H2,1-2H3


key: InChI
value:
  InChI=1S/C26H10F4N4O2S6/c1-35-10-4-3-9-18(33-41-31-9)12(10)22-16(30)26-25(40-22)14(28)20(38-26)7-5-11(36-2)13(19-17(7)32-42-34-19)23-15(29)24-21(39-23)8(27)6-37-24/h3-6H,1-2H3


key: InChI
value:
  InChI=1S/C16H12N2O4SeSi/c1-19-9-5-7-13(18-22-17-7)12(14(9)20-2)8-6-11-15(21-8)16-10(24-11)3-4-23-16/h3-6H,24H2,1-2H3


key: InChI
value:
  InChI=1S/C29H22F2N4O3S3/c1-34-16(24-18(36-3)7-6-15-25(24)33-41-32-15)10-14-23(19-12-20(37-4)29(31)38-19)27-13(8-9-40-27)22(26(14)34)17-11-21(39-5)28(30)35(17)2/h6-12H,1-5H3


key: SMILES
value:
  c1(c(c(cc2nonc12)OC)OC)c1oc2c(c(c3c(c2OC)c(c(o3)c2c(c(c(c3c2non3)c2oc3c(c(c4c(c3OC)c(co4)C)F)c2F)OC)OC)C)F)c1F	


key: CAN_SMILES
value:
  COc1cc2nonc2c(c1OC)c1oc2c(c1F)c(F)c1c(c2OC)c(C)c(o1)c1c(OC)c(OC)c(c2c1non2)c1oc2c(c1F)c(F)c1c(c2OC)c(C)co1	


key: InChI
value:
  InChI=1S/C40H26F4N4O12/c1-11-10-55-31-15(11)35(51-5)39-17(22(31)41)24(43)34(58-39)21-28-27(47-60-48-28)20(37(53-7)38(21)54-8)29-12(2)16-32(56-29)23(42)18-25(44)33(57-40(18)36(16)52-6)19-26-13(45-59-46-26)9-14(49-3)30(19)50-4/h9-10H,1-8H3


key: InChI
value:
  InChI=1S/C36H32FN3O3S4/c1-17-9-10-19(13-18(17)2)26-29-25(44-7)16-46-36(29)27(20-14-21(37)35(45-8)24(15-20)42-5)30-32(26)40(3)33(34(30)43-6)28-23(41-4)12-11-22-31(28)39-47-38-22/h9-16H,1-8H3


key: SMILES
value:
  c1(c(c(cc2nonc12)OC)OC)c1oc2c3[se]c(cc3[SiH2]c2c1)c1c(c(c(c2c1non2)c1oc2c3[se]ccc3[SiH2]c2c1)OC)OC	


key: CAN_SMILES
value:
  COc1c(c2cc3c([se]2)c2c([SiH2]3)cc(o2)c2c(OC)c(OC)cc3c2non3)c2nonc2c(c1OC)c1cc2c(o1)c1c([SiH2]2)cc[se]1	


key: InChI
value:
  InChI=1S/C32H22N4O8Se2Si2/c1-37-14-7-11-23(34-43-33-11)20(26(14)38-2)12-8-18-28(42-12)32-19(48-18)10-15(46-32)22-25-24(35-44-36-25)21(29(39-3)30(22)40-4)13-9-17-27(41-13)31-16(47-17)5-6-45-31/h5-10H,47-48H2,1-4H3


key: InChI
value:
  InChI=1S/C33H25FN2O2S4/c1-16-8-18(11-21(9-16)37-3)28-23-14-26(30-25(38-4)7-6-24-31(30)36-42-35-24)41-32(23)29(27-17(2)15-40-33(27)28)19-10-20(34)13-22(12-19)39-5/h6-15H,1-5H3


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


key: InChI
value:
  InChI=1S/C15H10N2O2SSeSi/c1-18-8-3-2-7-13(17-20-16-7)12(8)9-6-11-14(19-9)15-10(22-11)4-5-21-15/h2-6H,22H2,1H3


key: SMILES
value:
  c1(c(c(cc2c1ncc(n2)SC)OC)F)c1oc2c3[se]c(cc3[nH]c2c1)c1c(c(c(c2c1nc(cn2)SC)c1oc2c3[se]ccc3[nH]c2c1)F)OC	


key: CAN_SMILES
value:
  COc1c(c2cc3c([se]2)c2c([nH]3)cc(o2)c2c(F)c(OC)cc3c2ncc(n3)SC)c2nc(SC)cnc2c(c1F)c1cc2c(o1)c1c([nH]2)cc[se]1	


key: InChI
value:
  InChI=1S/C36H22F2N6O4S2Se2/c1-45-20-7-14-29(39-11-22(43-14)49-3)24(27(20)37)18-9-16-33(48-18)36-17(42-16)10-21(52-36)26-31-30(40-12-23(44-31)50-4)25(28(38)34(26)46-2)19-8-15-32(47-19)35-13(41-15)5-6-51-35/h5-12,41-42H,1-4H3


key: InChI
value:
  InChI=1S/C15H10N2OS2SeSi/c1-18-8-3-2-7-13(17-20-16-7)12(8)9-6-11-15(21-9)14-10(22-11)4-5-19-14/h2-6H,22H2,1H3


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


key: InChI
value:
  InChI=1S/C15H10N2O2SSeSi/c1-18-8-3-2-7-13(17-20-16-7)12(8)9-6-11-15(21-9)14-10(22-11)4-5-19-14/h2-6H,22H2,1H3


key: InChI
value:
  InChI=1S/C30H18N4O4S2Se2Si2/c1-35-13-4-3-12-25(33-39-31-12)22(13)16-9-21-30(42-16)28-19(44-21)8-14(38-28)11-7-15(36-2)23(26-24(11)32-40-34-26)17-10-20-29(41-17)27-18(43-20)5-6-37-27/h3-10H,43-44H2,1-2H3


key: InChI
value:
  InChI=1S/C16H12N2O4SeSi/c1-19-8-5-7-13(18-22-17-7)12(14(8)20-2)9-6-11-16(23-9)15-10(24-11)3-4-21-15/h3-6H,24H2,1-2H3


key: InChI
value:
  InChI=1S/C19H20N4O4/c1-22-10-11(24-3)8-15(22)13-6-7-14(23(13)2)17-18-12(20-27-21-18)9-16(25-4)19(17)26-5/h6-10H,1-5H3


key: SMILES
value:
  c1(c(c(cc2nonc12)OC)OC)c1[se]c2c3oc(cc3[SiH2]c2c1)c1c(c(c(c2c1non2)c1[se]c2c3occc3[SiH2]c2c1)OC)OC	


key: CAN_SMILES
value:
  COc1c(c2cc3c(o2)c2c([SiH2]3)cc([se]2)c2c(OC)c(OC)cc3c2non3)c2nonc2c(c1OC)c1cc2c([se]1)c1c([SiH2]2)cco1	


key: InChI
value:
  InChI=1S/C32H22N4O8Se2Si2/c1-37-13-7-11-23(34-43-33-11)21(26(13)38-2)14-9-19-32(46-14)28-17(48-19)8-12(42-28)20-24-25(36-44-35-24)22(30(40-4)29(20)39-3)15-10-18-31(45-15)27-16(47-18)5-6-41-27/h5-10H,47-48H2,1-4H3


key: InChI
value:
  InChI=1S/C38H38N8O8/c1-10-52-27-17-26(22-12-14-23(45(22)4)29-32-20(39-53-40-32)16-28(49-7)37(29)50-8)46(5)35(27)31-34-33(41-54-42-34)30(38(51-9)36(31)47)24-13-11-21(44(24)3)25-15-19(48-6)18-43(25)2/h11-18,47H,10H2,1-9H3


key: InChI
value:
  InChI=1S/C16H15N3O3S2/c1-19-9-5-6-21-14(9)15(20-2)13(19)11-12-8(17-22-18-12)7-10(23-3)16(11)24-4/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C18H16N2O4S2/c1-9-5-6-25-17(9)13-8-12(22-3)18(26-13)14-15-10(19-24-20-15)7-11(21-2)16(14)23-4/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C32H28N6O6S4/c1-37-14-9-10-41-26(14)28(39-3)25(37)20-23-22(35-44-36-23)18(31(47-7)32(20)48-8)16-12-15-27(42-16)29(40-4)24(38(15)2)19-21-13(33-43-34-21)11-17(45-5)30(19)46-6/h9-12H,1-8H3


key: InChI
value:
  InChI=1S/C16H11N3O4S/c1-20-11-5-8-13(19-23-18-8)12(15(11)21-2)10-6-9-14(22-10)16-7(17-9)3-4-24-16/h3-6,17H,1-2H3


key: InChI
value:
  InChI=1S/C19H19N3O5S/c1-22-7-6-14(28-5)17(22)11-9-13(24-3)19(26-11)15-16-10(20-27-21-16)8-12(23-2)18(15)25-4/h6-9H,1-5H3


key: InChI
value:
  InChI=1S/C21H17FN2O3S2/c1-8-7-25-18-10(3)14-16(22)20(26-19(14)9(2)13(8)18)15-17-11(23-27-24-17)6-12(28-4)21(15)29-5/h6-7H,1-5H3


key: InChI
value:
  InChI=1S/C29H17F2NO6S2Se/c1-32-7-6-16(39-3)22(32)14-10-15(35-2)25(37-14)28-13(30)9-17(40-28)26-21-20(27(38-26)18-5-4-8-41-18)23(33)12-11-36-29(31)19(12)24(21)34/h4-11H,1-3H3


key: InChI
value:
  InChI=1S/C18H16N2O4S2/c1-9-7-11(23-16(9)18-13(25-4)5-6-26-18)14-15-10(19-24-20-15)8-12(21-2)17(14)22-3/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C38H38FN3O6S2/c1-15-13-42(7)28-21(15)32(45-10)37-23(31(28)44-9)18(4)36(50-37)34-25(39)19(5)30(48-34)22-17(3)29(43-8)24(33-35(49-12)16(2)14-47-33)27-26(22)41-38(46-11)20(6)40-27/h13-14H,1-12H3


key: InChI
value:
  InChI=1S/C23H23N3O3S3/c1-10-9-26(3)18-14(10)20(28-5)23-15(19(18)27-4)11(2)21(32-23)16-17-12(24-29-25-17)8-13(30-6)22(16)31-7/h8-9H,1-7H3


key: InChI
value:
  InChI=1S/C33H32FN3O5S/c1-15-13-21(20-11-10-12-37(20)6)41-27(15)31-24(34)18(4)29(42-31)22-17(3)28(38-7)23(30-32(43-9)16(2)14-40-30)26-25(22)36-33(39-8)19(5)35-26/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C34H27F4N3O5S/c1-12-11-44-30(33(12)47-8)21-26-25(40-34(43-7)15(4)39-26)19(13(2)28(21)42-6)29-14(3)22(36)31(46-29)32-24(38)20-18(45-32)9-16-17(35)10-41(5)27(16)23(20)37/h9-11H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)F)c1c(c(cs1)F)OC)SC)SC)c1c(c(c(n1C)c1c(c2c(c(c(s2)c2c(c(c(c3c(c(c(c4c3nc(c(n4)F)C)c3c(c(c(n3C)c3c(c4c(c(cs4)C)n3C)OC)F)F)SC)SC)s2)OC)F)C)n1C)OC)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)c1c(OC)c2c(n1C)c(cs2)C)c1sc2c(c1C)n(c(c2OC)c1c(F)c(c(n1C)c1c(SC)c(SC)c(c2c1nc(F)c(n2)C)c1scc(c1OC)F)F)C	


key: InChI
value:
  InChI=1S/C60H50F8N8O4S8/c1-19-17-85-57-37(19)73(5)43(47(57)79-11)41-30(64)28(62)40(75(41)7)25-34-36(70-22(4)60(68)72-34)27(55(84-16)53(25)82-14)51-46(78-10)32(66)56(88-51)49-20(2)38-58(87-49)48(80-12)44(74(38)6)42-31(65)29(63)39(76(42)8)24-33-35(69-21(3)59(67)71-33)26(54(83-15)52(24)81-13)50-45(77-9)23(61)18-86-50/h17-18H,1-16H3


key: InChI
value:
  InChI=1S/C30H26F4N4OS5/c1-11-9-37(3)22-24(11)44-29(28(22)42-8)21-17(33)16(32)20(38(21)4)14-18-19(35-12(2)30(34)36-18)15(27(41-7)26(14)40-6)25-23(39-5)13(31)10-43-25/h9-10H,1-8H3


key: InChI
value:
  InChI=1S/C36H33F2N3O4S4/c1-14-12-44-30(32(14)46-8)23-26-25(40-36(43-7)17(4)39-26)21(15(2)28(23)42-6)29-16(3)24(38)31(45-29)27-34(47-9)22-20(41(27)5)11-18-19(37)13-49-33(18)35(22)48-10/h11-13H,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)c1c(c2c(c(c(n2C)c2c(c(c(c3c(c(c(c4c3nc(c(n4)F)C)c3c(c(c(n3C)c3c(c4c(c(cn4C)C)s3)SC)F)F)SC)SC)s2)OC)F)C)s1)SC)F)F	


key: CAN_SMILES
value:
  COc1c(F)c(sc1c1c(SC)c(SC)c(c2c1nc(C)c(n2)F)c1c(F)c(c(n1C)c1sc2c(c1SC)n(cc2C)C)F)c1c(C)c2c(n1C)c(c(s2)c1c(F)c(c(n1C)c1c(SC)c(SC)c(c2c1nc(F)c(n2)C)c1scc(c1OC)F)F)SC	


key: InChI
value:
  InChI=1S/C60H50F8N8O2S10/c1-19-17-73(5)42-46(19)86-57(55(42)83-15)40-30(64)28(62)39(75(40)7)25-34-36(70-22(4)60(68)72-34)27(53(82-14)51(25)80-12)49-45(78-10)32(66)54(88-49)37-20(2)47-43(74(37)6)56(84-16)58(87-47)41-31(65)29(63)38(76(41)8)24-33-35(69-21(3)59(67)71-33)26(52(81-13)50(24)79-11)48-44(77-9)23(61)18-85-48/h17-18H,1-16H3


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(cc2n1C)c(c(s3)c1c(c(c(c2c(c(c(c3c2nc(c(n3)OC)C)c2c(c(c(o2)c2c(c3c(c4c(cc3n2C)c(cs4)F)SC)SC)F)C)C)OC)o1)SC)C)F)SC)SC)F)C	


key: CAN_SMILES
value:
  CSc1c(C)c(oc1c1c(OC)c(C)c(c2c1nc(C)c(n2)OC)c1oc(c(c1C)F)c1c(SC)c2c(n1C)cc1c(c2SC)scc1F)c1sc2c(c1F)cc1c(c2SC)c(SC)c(n1C)c1oc(c(c1F)C)c1c(C)c(OC)c(c2c1nc(OC)c(n2)C)c1occ(c1SC)C	


key: InChI
value:
  InChI=1S/C72H64F4N6O8S8/c1-25-23-87-58(62(25)91-15)42-49-47(79-71(85-13)31(7)77-49)38(26(2)53(42)83-11)55-28(4)45(75)61(88-55)52-67(94-18)41-37(82(52)10)22-34-46(76)70(98-65(34)69(41)96-20)57-30(6)63(92-16)59(90-57)43-50-48(80-72(86-14)32(8)78-50)39(27(3)54(43)84-12)56-29(5)44(74)60(89-56)51-66(93-17)40-36(81(51)9)21-33-35(73)24-97-64(33)68(40)95-19/h21-24H,1-20H3


key: SMILES
value:
  c1(cc(c(c2nn(nc12)C)c1c(c2c(c(cn2C)OC)n1C)SC)F)c1c(c2c(o1)c(c(n2C)c1sc2c(c(c3c(c2c2cc(c(cc2)OC)C)ccn3C)c2cc(c(c(c2)F)OC)F)c1SC)F)SC	


key: InChI
value:
  InChI=1S/C52H45F4N7O4S4/c1-22-17-23(13-14-30(22)64-7)32-25-15-16-59(2)39(25)33(24-18-28(54)46(66-9)29(55)19-24)35-48(32)71-52(49(35)68-10)42-36(56)47-44(62(42)5)51(70-12)45(67-47)26-20-27(53)34(38-37(26)57-63(6)58-38)41-50(69-11)43-40(61(41)4)31(65-8)21-60(43)3/h13-21H,1-12H3


key: CAN_SMILES
value:
  COc1ccc(cc1C)c1c2sc(c(c2c(c2c1ccn2C)c1cc(F)c(c(c1)F)OC)SC)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/C30H23F3N2O4S4/c1-12-10-15(16-8-7-9-42-16)39-23(12)28-20(33)29(41-6)27(43-28)18-22-21(35-30(37-4)13(2)34-22)17(19(32)24(18)36-3)25-26(40-5)14(31)11-38-25/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H27FGeN2O5S2/c1-12-11-38-28(29(12)41-7)20-23-22(35-31(37-6)15(4)34-23)19(13(2)24(20)36-5)25-14(3)21(32)27(40-25)18-10-17-26(39-18)30-16(33-17)8-9-42-30/h8-11H,33H2,1-7H3


key: InChI
value:
  InChI=1S/C31H24F3N5O2S5/c1-11-20-25(41-23(11)29-17(34)30-26(46-29)12(32)10-45-30)16(33)21(38(20)3)14-18-19(36-39(4)35-18)15(28(42-6)24(14)40-5)22-31(43-7)27-13(37(22)2)8-9-44-27/h8-10H,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)c1oc2c3sc(cc3[nH]c2c1)c1c(c(c(c2c(c(c(c3c2nc(c(n3)OC)C)c2c(c(c(o2)c2oc3c4sccc4[nH]c3c2)F)C)C)OC)o1)SC)C)F)C	


key: CAN_SMILES
value:
  CSc1c(C)c(oc1c1c(OC)c(C)c(c2c1nc(C)c(n2)OC)c1oc(c(c1C)F)c1cc2c(o1)c1c([nH]2)ccs1)c1cc2c(s1)c1c([nH]2)cc(o1)c1oc(c(c1F)C)c1c(C)c(OC)c(c2c1nc(OC)c(n2)C)c1occ(c1SC)C	


key: InChI
value:
  InChI=1S/C62H50F2N6O10S4/c1-21-20-75-55(57(21)81-13)38-44-42(69-61(73-11)27(7)65-44)36(22(2)47(38)71-9)49-25(5)41(64)54(80-49)34-18-31-52(77-34)60-32(68-31)19-35(84-60)46-26(6)58(82-14)56(78-46)39-45-43(70-62(74-12)28(8)66-45)37(23(3)48(39)72-10)50-24(4)40(63)53(79-50)33-17-30-51(76-33)59-29(67-30)15-16-83-59/h15-20,67-68H,1-14H3


key: InChI
value:
  InChI=1S/C34H26F5N3O3S3/c1-11-9-44-27-13(3)17-20(36)30(45-28(17)12(2)16(11)27)26-22(38)21(37)25(42(26)5)18-23-24(40-14(4)34(39)41-23)19(33(47-8)32(18)46-7)31-29(43-6)15(35)10-48-31/h9-10H,1-8H3


key: InChI
value:
  InChI=1S/C33H31F3N4OS5/c1-14-21(24-25(38-33(36)16(3)37-24)22(30(14)44-9)32-23(35)20(43-8)13-45-32)26-15(2)29(41-6)28(40(26)5)18-12-19(42-7)31(46-18)27-17(34)10-11-39(27)4/h10-13H,1-9H3


key: InChI
value:
  InChI=1S/C30H20F4N2O5S5/c1-9-30(38-3)36-16-12(20-23(42-4)11(32)8-39-20)14(33)19(37-2)13(17(16)35-9)24-25(43-5)15(34)26(45-24)29-28(44-6)22-27(46-29)21-18(41-22)10(31)7-40-21/h7-8H,1-6H3


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(c3c(c(c(o3)c3c(c(c(c4c(c(c(c5c4nc(c(n5)C)OC)c4c(c(c(s4)c4c(c5c(c6c(c(co6)F)o5)s4)SC)F)SC)OC)F)o3)SC)F)F)o2)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)oc1c2occ1F)c1oc2c(c1F)oc1c2sc(c1SC)c1sc(c(c1F)SC)c1c(OC)c(F)c(c2c1nc(C)c(n2)OC)c1occ(c1SC)F	


key: InChI
value:
  InChI=1S/C60H38F8N4O10S10/c1-15-59(75-5)71-29-19(36-45(83-7)18(62)14-77-36)23(63)34(73-3)21(31(29)69-15)46-50(86-10)28(68)52(90-46)58-56(88-12)44-54(92-58)42-39(82-44)25(65)38(81-42)40-26(66)48(84-8)37(80-40)20-24(64)35(74-4)22(32-30(20)72-60(76-6)16(2)70-32)47-49(85-9)27(67)51(89-47)57-55(87-11)43-53(91-57)41-33(79-43)17(61)13-78-41/h13-14H,1-12H3


key: InChI
value:
  InChI=1S/C32H29F2N3OS6/c1-14-21(24-25(36-32(34)16(3)35-24)22(29(14)41-8)31-23(33)20(40-7)13-43-31)26-15(2)28(38-5)27(37(26)4)18-12-19(39-6)30(44-18)17-10-9-11-42-17/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C33H23F5N2O6S3/c1-10-8-44-24-13(10)25(42-4)26-14(17(24)35)18(36)28(46-26)31-20(38)32(48-7)30(49-31)16-22-21(40-33(43-5)11(2)39-22)15(19(37)23(16)41-3)27-29(47-6)12(34)9-45-27/h8-9H,1-7H3


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: 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: 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: InChI
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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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: 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:
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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:
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key: CAN_SMILES
value:
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key: SMILES
value:
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key: InChI
value:
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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(c(o4)c4cc5c(c(c(c6c(c(c(c7c6nn(n7)C)c6c(c7c(c(c(o7)c7c(c8c(c9c(c(co9)F)o8)s7)SC)C)n6C)F)OC)SC)n5C)SC)s4)F)o3)s2)SC)C)n1C)F	


key: CAN_SMILES
value:
  CSc1c2oc3c(c2sc1c1oc2c(c1C)n(c(c2F)c1c(OC)c(SC)c(c2c1nn(n2)C)c1c(SC)c2c(n1C)ccs2)C)oc(c3F)c1sc2c(c1)n(c(c2SC)c1c(SC)c(OC)c(c2c1nn(n2)C)c1c(F)c2c(n1C)c(c(o2)c1sc2c(c1SC)oc1c2occ1F)C)C	


key: InChI
value:
  InChI=1S/C68H52F4N10O8S10/c1-21-38-50(86-44(21)67-65(95-15)55-63(99-67)53-46(88-55)23(69)20-85-53)31(70)41(79(38)5)28-35-37(76-82(8)74-35)30(60(92-12)49(28)84-10)43-62(94-14)58-25(78(43)4)19-26(98-58)47-33(72)52-54(89-47)64-56(90-52)66(96-16)68(100-64)45-22(2)39-51(87-45)32(71)40(80(39)6)27-34-36(75-81(7)73-34)29(59(91-11)48(27)83-9)42-61(93-13)57-24(77(42)3)17-18-97-57/h17-20H,1-16H3


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(cc3n2C)c(cs4)F)SC)SC)C)n1C)F	


key: InChI
value:
  InChI=1S/C38H34F2N6O2S6/c1-15-26-32(48-30(15)29-35(49-7)20-19(44(29)3)13-16-17(39)14-54-33(16)37(20)51-9)23(40)27(45(26)4)21-24-25(42-46(5)41-24)22(36(50-8)31(21)47-6)28-38(52-10)34-18(43(28)2)11-12-53-34/h11-14H,1-10H3


key: CAN_SMILES
value:
  COc1c(SC)c(c2c(c1c1c(F)c3c(n1C)c(c(o3)c1c(SC)c3c(n1C)cc1c(c3SC)scc1F)C)nn(n2)C)c1c(SC)c2c(n1C)ccs2	


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(cc3n2C)c(c(s4)c2cc3c(c(c(c4c(c(c(c5c4nn(n5)C)c4c(c5c(c(c(o5)c5c(c6c(c7c(cc6n5C)c(cs7)F)SC)SC)C)n4C)F)OC)SC)n3C)SC)s2)F)SC)SC)C)n1C)F	


key: CAN_SMILES
value:
  CSc1c2sc(c(c2cc2c1c(SC)c(n2C)c1oc2c(c1C)n(c(c2F)c1c(OC)c(SC)c(c2c1nn(n2)C)c1c(SC)c2c(n1C)ccs2)C)F)c1sc2c(c1)n(c(c2SC)c1c(SC)c(OC)c(c2c1nn(n2)C)c1c(F)c2c(n1C)c(c(o2)c1c(SC)c2c(n1C)cc1c(c2SC)scc1F)C)C	


key: InChI
value:
  InChI=1S/C76H66F4N12O4S12/c1-27-50-62(95-58(27)56-69(97-13)37-33(86(56)4)23-29-31(77)26-106-64(29)73(37)101-17)45(80)53(89(50)7)40-47-49(84-92(10)82-47)42(72(100-16)61(40)94-12)55-76(104-20)67-35(88(55)6)25-36(107-67)68-43(78)30-24-34-38(74(102-18)65(30)108-68)70(98-14)57(87(34)5)59-28(2)51-63(96-59)44(79)52(90(51)8)39-46-48(83-91(9)81-46)41(71(99-15)60(39)93-11)54-75(103-19)66-32(85(54)3)21-22-105-66/h21-26H,1-20H3


key: InChI
value:
  InChI=1S/C33H26F2N4O2S5/c1-13-10-19(26-18(42-7)8-9-38(26)4)44-31(13)20-11-17-33(45-20)30(40-6)27(39(17)5)21-14(2)23(35)22(25-24(21)36-46-37-25)28-15(3)32-29(41-28)16(34)12-43-32/h8-12H,1-7H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(cs2)F)C)F)C)c1c(c2c(cc(s2)c2c(cc(c3c(cc(n3C)c3c(c4c(c(c(c5c(c(c(c6c5nsn6)c5c(c6c(cc(s6)c6c(cc(c7c(ccn7C)SC)s6)C)n5C)OC)C)F)o4)C)s3)F)SC)s2)C)n1C)OC	


key: CAN_SMILES
value:
  CSc1cc(n(c1c1cc(c(s1)c1sc2c(c1)n(c(c2OC)c1c(C)c(F)c(c2c1nsn2)c1oc2c(c1C)scc2F)C)C)C)c1sc2c(c1F)oc(c2C)c1c(F)c(C)c(c2c1nsn2)c1c(OC)c2c(n1C)cc(s2)c1sc(cc1C)c1c(SC)ccn1C	


key: InChI
value:
  InChI=1S/C66H50F4N8O4S10/c1-23-17-35(50-33(83-13)15-16-75(50)7)86-60(23)37-20-31-65(88-37)58(79-11)53(77(31)9)40-26(4)44(69)42(49-47(40)72-92-74-49)55-28(6)63-57(82-55)45(70)64(90-63)30-19-34(84-14)51(76(30)8)36-18-24(2)61(87-36)38-21-32-66(89-38)59(80-12)52(78(32)10)39-25(3)43(68)41(48-46(39)71-91-73-48)54-27(5)62-56(81-54)29(67)22-85-62/h15-22H,1-14H3


key: InChI
value:
  InChI=1S/C32H22F2N4O4S4/c1-11-19(22-23(36-46-35-22)20(21(11)34)26-12(2)31-27(42-26)13(33)10-44-31)25-30(39-5)32-15(38(25)4)8-17(45-32)14-7-16-24(37(14)3)29-28(41-16)18(43-6)9-40-29/h7-10H,1-6H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(cs2)F)C)F)C)c1c(c2c(cc(s2)c2cc3c(c4c(c(c(o4)c4c(c5c(c(c(c6c(c(c(c7c6nsn7)c6c(c7c(cc(s7)c7cc8c(c9c(c(co9)SC)o8)n7C)n6C)OC)C)F)o5)C)s4)F)SC)o3)n2C)n1C)OC	


key: CAN_SMILES
value:
  CSc1c(oc2c1oc1c2n(c(c1)c1sc2c(c1)n(c(c2OC)c1c(C)c(F)c(c2c1nsn2)c1oc2c(c1C)scc2F)C)C)c1sc2c(c1F)oc(c2C)c1c(F)c(C)c(c2c1nsn2)c1c(OC)c2c(n1C)cc(s2)c1cc2c(n1C)c1c(o2)c(co1)SC	


key: InChI
value:
  InChI=1S/C64H42F4N8O8S8/c1-19-33(40-42(71-91-69-40)35(37(19)66)48-21(3)59-50(82-48)23(65)18-87-59)46-56(78-10)62-27(76(46)8)16-31(89-62)25-14-29-45(74(25)6)54-57(81-29)64(86-12)58(84-54)63-39(68)52-60(90-63)22(4)49(83-52)36-38(67)20(2)34(41-43(36)72-92-70-41)47-55(77-9)61-26(75(47)7)15-30(88-61)24-13-28-44(73(24)5)53-51(80-28)32(85-11)17-79-53/h13-18H,1-12H3


key: InChI
value:
  InChI=1S/C34H21F4N3O5S3/c1-10-8-44-29-16(10)30(42-5)31-18(22(29)38)21(37)28(46-31)15-7-14-34(48-15)32(43-6)25(41(14)4)17-11(2)20(36)19(24-23(17)39-49-40-24)26-12(3)33-27(45-26)13(35)9-47-33/h7-9H,1-6H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(cs2)F)C)F)C)c1c(c2c(cc(s2)c2oc3c(c(c4c(c3OC)c(c(o4)c3c(c4c(c(c(c5c(c(c(c6c5nsn6)c5c(c6c(cc(s6)c6oc7c(c(c8c(c7OC)c(co8)C)F)c6F)n5C)OC)C)F)o4)C)s3)F)C)F)c2F)n1C)OC	


key: CAN_SMILES
value:
  COc1c2c(C)c(oc2c(c2c1oc(c2F)c1sc2c(c1)n(c(c2OC)c1c(C)c(F)c(c2c1nsn2)c1oc2c(c1C)scc2F)C)F)c1sc2c(c1F)oc(c2C)c1c(F)c(C)c(c2c1nsn2)c1c(OC)c2c(n1C)cc(s2)c1oc2c(c1F)c(F)c1c(c2OC)c(C)co1	


key: InChI
value:
  InChI=1S/C68H40F8N6O10S6/c1-17-15-87-55-28(17)57(83-9)59-32(40(55)74)38(72)53(91-59)26-13-24-66(94-26)63(86-12)48(81(24)7)30-19(3)37(71)35(46-44(30)78-98-80-46)50-22(6)65-61(89-50)42(76)68(96-65)51-20(4)31-56(90-51)41(75)33-39(73)54(92-60(33)58(31)84-10)27-14-25-67(95-27)62(85-11)47(82(25)8)29-18(2)36(70)34(45-43(29)77-97-79-45)49-21(5)64-52(88-49)23(69)16-93-64/h13-16H,1-12H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(cs2)F)C)F)C)c1c(c2c(cc(s2)c2oc3c(c(c4c(c3c3cc(c(o3)C)SC)ccs4)c3cc(c(F)n3C)OC)c2OC)n1C)OC	


key: InChI
value:
  InChI=1S/C45H33F3N4O6S5/c1-16-27(33-34(50-63-49-33)31(32(16)47)36-17(2)42-37(57-36)20(46)15-61-42)35-41(55-8)44-22(51(35)4)13-26(62-44)38-40(54-7)30-29(21-12-24(53-6)45(48)52(21)5)43-19(10-11-60-43)28(39(30)58-38)23-14-25(59-9)18(3)56-23/h10-15H,1-9H3


key: CAN_SMILES
value:
  COc1cc(n(c1F)C)c1c2c(OC)c(oc2c(c2c1scc2)c1oc(c(c1)SC)C)c1cc2c(s1)c(c(n2C)c1c(C)c(F)c(c2c1nsn2)c1oc2c(c1C)scc2F)OC	


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)7-15(40-29)14-8-17-26(37-14)30-16(43-17)5-6-42-30/h5-9H,43H2,1-4H3


key: InChI
value:
  InChI=1S/C34H28FN3O5S4/c1-13-9-10-45-32(13)19-11-18(39-6)34(46-19)25-16(4)27-24(38(25)5)15(3)26(42-27)21-23-22(36-47-37-23)20(14(2)33(21)44-8)29-30(40-7)31-28(43-29)17(35)12-41-31/h9-12H,1-8H3


key: InChI
value:
  InChI=1S/C35H31FN4O4S4/c1-14-12-20(27-19(45-8)10-11-39(27)5)47-34(14)26-17(4)29-25(40(26)6)16(3)28(43-29)22-24-23(37-48-38-24)21(15(2)35(22)46-9)31-32(41-7)33-30(44-31)18(36)13-42-33/h10-13H,1-9H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1c(cc(c2c(cc(n2C)c2c(c3c(c(c(c4c(c(c(c5c4nsn5)c4c(c5c(o4)c(c(n5C)c4c(cc(c5c(ccn5C)SC)s4)C)C)C)SC)C)o3)OC)o2)F)SC)s1)C)C)C	


key: CAN_SMILES
value:
  CSc1cc(n(c1c1cc(c(s1)c1n(C)c2c(c1C)oc(c2C)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)C)C)c1oc2c(c1F)oc(c2OC)c1c(C)c(SC)c(c2c1nsn2)c1oc2c(c1C)n(c(c2C)c1sc(cc1C)c1n(C)ccc1SC)C	


key: InChI
value:
  InChI=1S/C70H60F2N8O8S8/c1-25-21-37(52-35(89-15)19-20-77(52)9)93-67(25)50-31(7)56-48(79(50)11)29(5)55(84-56)42-47-45(74-96-76-47)40(28(4)70(42)92-18)61-64(82-14)66-62(88-61)43(72)59(87-66)34-23-36(90-16)53(78(34)10)38-22-26(2)68(94-38)51-32(8)57-49(80(51)12)30(6)54(85-57)41-46-44(73-95-75-46)39(27(3)69(41)91-17)60-63(81-13)65-58(86-60)33(71)24-83-65/h19-24H,1-18H3


key: InChI
value:
  InChI=1S/C33H29FN4O5S3/c1-12-11-45-33-21(12)37(5)24(29(33)39-7)22-14(3)26-23(38(22)6)15(4)25(42-26)18-20-19(35-46-36-20)17(13(2)32(18)44-9)28-30(40-8)31-27(43-28)16(34)10-41-31/h10-11H,1-9H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1c(c2c(c3c(cc2n1C)c(cs3)F)SC)SC)C)C	


key: InChI
value:
  InChI=1S/C37H30F2N4O4S5/c1-13-20(31-32(44-6)33-30(47-31)17(38)11-45-33)23-24(41-52-40-23)22(34(13)48-7)28-15(3)26-29(46-28)14(2)25(43(26)5)27-36(49-8)21-19(42(27)4)10-16-18(39)12-51-35(16)37(21)50-9/h10-12H,1-9H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1c(c2c(c3c(cc2n1C)c(c(s3)c1c(c2c(c(c(c3c(c(c(c4c3nsn4)c3c(c4c(o3)c(c(n4C)c3c(c4c(c5c(cc4n3C)c(cs5)F)SC)SC)C)C)SC)C)o2)OC)o1)F)F)SC)SC)C)C	


key: CAN_SMILES
value:
  COc1c2oc(c(c2oc1c1c(C)c(SC)c(c2c1nsn2)c1oc2c(c1C)n(c(c2C)c1c(SC)c2c(n1C)cc1c(c2SC)scc1F)C)F)c1sc2c(c1F)cc1c(c2SC)c(SC)c(n1C)c1c(C)c2c(n1C)c(c(o2)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)C	


key: InChI
value:
  InChI=1S/C74H58F4N8O8S10/c1-23-35(58-62(87-11)64-57(92-58)31(75)21-89-64)43-45(81-103-79-43)39(66(23)95-13)53-28(6)50-56(90-53)26(4)48(86(50)10)52-71(98-16)38-34(84(52)8)20-30-41(77)74(102-69(30)73(38)100-18)61-42(78)60-65(94-61)63(88-12)59(93-60)36-24(2)67(96-14)40(46-44(36)80-104-82-46)54-27(5)49-55(91-54)25(3)47(85(49)9)51-70(97-15)37-33(83(51)7)19-29-32(76)22-101-68(29)72(37)99-17/h19-22H,1-18H3


key: InChI
value:
  InChI=1S/C32H24FN3O5S2SeSi/c1-11-18(28-29(37-5)30-26(41-28)14(33)10-39-30)20-21(35-43-34-20)19(31(11)42-6)24-13(3)23-25(40-24)12(2)22(36(23)4)15-9-17-32(44-15)27-16(45-17)7-8-38-27/h7-10H,45H2,1-6H3


key: InChI
value:
  InChI=1S/C34H30F2N6O4S3/c1-39-14-18(44-6)25-28(39)33(47-7)27(40(25)2)21-16(35)13-15(23-24(21)38-42(4)37-23)30-34(48-8)29-32(46-30)22(36)26(41(29)3)19-9-10-20(49-19)31-17(43-5)11-12-45-31/h9-14H,1-8H3


key: SMILES
value:
  c1(cc(c(c2nn(nc12)C)c1c(c2c(c(cn2C)OC)n1C)SC)F)c1c(c2c(o1)c(c(n2C)c1ccc(c2c(cc(o2)c2c(c3c(c(c(c4c(cc(c5c4nn(n5)C)c4c(c5c(o4)c(c(n5C)c4ccc(c5c(cco5)OC)s4)F)SC)F)n3C)SC)n2C)OC)OC)s1)F)SC	


key: CAN_SMILES
value:
  COc1cc(oc1c1ccc(s1)c1c(F)c2c(n1C)c(c(o2)c1cc(F)c(c2c1nn(n2)C)c1n(C)c2c(c1SC)n(cc2OC)C)SC)c1n(C)c2c(c1OC)n(c(c2SC)c1c(F)cc(c2c1nn(n2)C)c1oc2c(c1SC)n(c(c2F)c1ccc(s1)c1occc1OC)C)C	


key: InChI
value:
  InChI=1S/C68H58F4N12O8S6/c1-77-26-34(87-11)47-54(77)65(93-13)51(78(47)2)39-29(69)23-27(43-45(39)75-83(7)73-43)58-68(96-16)57-63(92-58)42(72)50(81(57)5)36-18-20-38(98-36)61-33(86-10)25-32(90-61)48-64(88-12)53-55(79(48)3)66(94-14)52(82(53)6)40-30(70)24-28(44-46(40)76-84(8)74-44)59-67(95-15)56-62(91-59)41(71)49(80(56)4)35-17-19-37(97-35)60-31(85-9)21-22-89-60/h17-26H,1-16H3


key: InChI
value:
  InChI=1S/C33H25F3N6O4S3/c1-39-10-16(43-5)22-25(39)32(47-6)24(40(22)2)18-13(34)8-12(20-21(18)38-42(4)37-20)27-33(48-7)26-29(46-27)19(36)23(41(26)3)17-9-15-31(49-17)30-28(45-15)14(35)11-44-30/h8-11H,1-7H3


key: SMILES
value:
  c1(cc(c(c2nn(nc12)C)c1c(c2c(c(cn2C)OC)n1C)SC)F)c1c(c2c(o1)c(c(n2C)c1c(c2c(c3c(c(co3)F)o2)s1)SC)F)SC	


key: InChI
value:
  InChI=1S/C34H27F3N6O4S4/c1-40-10-15(44-5)20-23(40)30(48-6)21(41(20)2)16-13(35)9-12(18-19(16)39-43(4)38-18)25-31(49-7)24-27(46-25)17(37)22(42(24)3)32-34(50-8)29-33(51-32)28-26(47-29)14(36)11-45-28/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C34H33F2N7O2S4/c1-14-12-39(2)27-30(14)49-34(33(27)48-10)24-19(36)29-26(42(24)5)32(47-9)28(45-29)15-11-16(35)18(21-20(15)37-43(6)38-21)23-31(46-8)25-22(41(23)4)17(44-7)13-40(25)3/h11-13H,1-10H3


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:
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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: 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/C49H44F2N6O5S6/c1-19-28(37-47(65-12)38-36(56(37)6)27(64-11)18-54(38)4)34-35(53-57(7)52-34)32(33(19)50)46-48(66-13)43-44(68-46)20(2)39(61-43)42-41(59-9)31-30(23-16-25(58-8)49(51)55(23)5)45-22(14-15-67-45)29(40(31)62-42)24-17-26(63-10)21(3)60-24/h14-18H,1-13H3


key: CAN_SMILES
value:
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key: SMILES
value:
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key: InChI
value:
  InChI=1S/C51H44F2N4O2S6/c1-23-16-24(2)18-29(17-23)41-40(28-13-12-25(3)31(20-28)58-8)54-42-36(46-39(53)51-45(57(46)7)35(61-10)22-64-51)27(5)48(62-11)37(43(42)55-41)34-21-30-49(65-34)38(52)44(56(30)6)32-19-26(4)47(59-32)50-33(60-9)14-15-63-50/h12-22H,1-11H3


key: CAN_SMILES
value:
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key: SMILES
value:
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key: InChI
value:
  InChI=1S/C49H43F2N5O3S4/c1-22-16-23(2)18-27(17-22)38-37(26-13-12-24(3)30(19-26)57-8)52-39-33(42-35(50)49-41(56(42)7)32(60-10)21-62-49)25(4)47(61-11)34(40(39)53-38)31-20-29-48(63-31)36(51)43(55(29)6)44-46(58-9)45-28(54(44)5)14-15-59-45/h12-21H,1-11H3


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C18H16FN3OS4/c1-22-6-5-9(19)16(22)18-13(25-3)8-11(27-18)14-15-10(20-23-21-15)7-12(24-2)17(14)26-4/h5-8H,1-4H3


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:
  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(ccs3)C)s2)OC)F)n1C)F	


key: InChI
value:
  InChI=1S/C48H33F6N3O3S7/c1-18-11-20(13-22(49)12-18)34-35(21-14-24(58-4)30(51)26(15-21)61-7)56-37-29(44-33(54)47-42(66-44)23(50)17-64-47)45(62-8)40(60-6)28(36(37)55-34)38-31(52)46-39(57(38)3)32(53)48(67-46)43-25(59-5)16-27(65-43)41-19(2)9-10-63-41/h9-17H,1-8H3


key: CAN_SMILES
value:
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key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cc(cc(c1)C)F)c1c(c2c(s1)c(cs2)F)F)SC)OC)c1c(c2c(c(c(s2)c2cc(c(c3c(ccs3)SC)o2)C)F)n1C)F	


key: InChI
value:
  InChI=1S/C48H33F6N3O3S7/c1-18-11-20(14-22(49)12-18)34-35(21-15-24(58-4)30(51)27(16-21)62-7)56-37-29(45-33(54)48-42(66-45)23(50)17-65-48)46(63-8)41(59-5)28(36(37)55-34)38-31(52)47-39(57(38)3)32(53)43(67-47)25-13-19(2)40(60-25)44-26(61-6)9-10-64-44/h9-17H,1-8H3


key: CAN_SMILES
value:
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key: SMILES
value:
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key: InChI
value:
  InChI=1S/C66H51F3N2O5S7/c1-28-13-15-34(16-14-28)49-47-32(5)58(75-60(47)48(50-42(73-8)27-81-64(49)50)35-19-29(2)52(69)39(67)22-35)61-65(79-12)66-59(76-61)33(6)63(83-66)51-41(72-7)25-38(44-26-45-43(82-44)17-18-80-45)55-56(51)71-53(36-20-30(3)57(74-9)40(68)23-36)54(70-55)37-21-31(4)62(78-11)46(24-37)77-10/h13-27H,1-12H3


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/C46H29F6N3O2S6SeSi/c1-16-9-17(11-19(47)10-16)32-33(18-12-21(56-3)28(49)22(13-18)58-5)54-35-27(42-31(52)45-39(62-42)20(48)15-61-45)43(59-6)38(57-4)26(34(35)53-32)36-29(50)44-37(55(36)2)30(51)40(63-44)23-14-25-46(64-23)41-24(65-25)7-8-60-41/h7-15H,65H2,1-6H3


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


key: InChI
value:
  InChI=1S/C48H36FN3O4S7/c1-20-13-23(15-26(49)40(20)54-5)36-37(24-14-21(2)44(58-7)34(16-24)57-6)51-38-25(32-19-33-31(62-32)10-12-60-33)17-29(53-4)35(39(38)52-36)45-22(3)41-48(63-45)47(59-8)43(56-41)30-18-28-42(55-30)46-27(50-28)9-11-61-46/h9-19,50H,1-8H3


key: CAN_SMILES
value:
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key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1c(c2c(c3c(cc2n1C)c(cs3)F)SC)SC)SC)C	


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:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1c(cc(c2ccco2)s1)C)SC)C	


key: InChI
value:
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key: CAN_SMILES
value:
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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(cn2C)OC)n1C)SC)C	


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:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1c(cc(c2c(ccn2C)SC)s1)C)SC)C	


key: InChI
value:
  InChI=1S/C51H44FN3O3S8/c1-23-16-27(19-30(52)44(23)57-7)39-40(28-17-24(2)47(61-10)37(20-28)60-9)53-41-29(34-22-35-32(64-34)13-15-63-35)21-31(56-6)38(42(41)54-39)49-26(4)45-51(66-49)50(62-11)46(58-45)48-25(3)18-36(65-48)43-33(59-8)12-14-55(43)5/h12-22H,1-11H3


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)c1sc(cc1C)c1c(SC)ccn1C	


key: InChI
value:
  InChI=1S/C38H36N4O4S4/c1-17-13-22(46-34(17)38-24(47-9)11-12-49-38)31-20(4)37-21(41(31)5)14-25(50-37)28-29-30(40-26(48-10)15-39-29)27(18(2)35(28)44-8)32-19(3)36-33(42(32)6)23(43-7)16-45-36/h11-16H,1-10H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1cc2c(c3c(c(co3)SC)o2)n1C)SC)C	


key: InChI
value:
  InChI=1S/C50H40FN3O5S7/c1-21-13-24(15-27(51)42(21)56-6)37-38(25-14-22(2)47(62-9)34(16-25)60-7)52-39-26(32-19-33-31(65-32)11-12-64-33)17-29(55-5)36(40(39)53-37)48-23(3)43-50(66-48)49(63-10)44(59-43)28-18-30-41(54(28)4)46-45(58-30)35(61-8)20-57-46/h11-20H,1-10H3


key: CAN_SMILES
value:
  COc1c(C)cc(cc1F)c1nc2c(c(OC)cc(c2nc1c1cc(C)c(c(c1)SC)SC)c1sc2c(c1)scc2)c1sc2c(c1C)oc(c2SC)c1cc2c(n1C)c1c(o2)c(co1)SC	


key: InChI
value:
  InChI=1S/C31H16F3NO4S4Se/c1-35-15-7-11-14(33)10-42-27(11)30(41-3)19(15)29(40-2)22(35)28-13(32)8-16(43-28)25-21-20(26(39-25)17-5-4-6-44-17)23(36)12-9-38-31(34)18(12)24(21)37/h4-10H,1-3H3


key: InChI
value:
  InChI=1S/C29H17F2NO4S3Se/c1-12-9-16(22-15(37-3)6-7-32(22)2)38-27(12)28-14(30)10-17(39-28)25-21-20(26(36-25)18-5-4-8-40-18)23(33)13-11-35-29(31)19(13)24(21)34/h4-11H,1-3H3


key: SMILES
value:
  c1(c(c(c(c2c1ncc(n2)SC)c1c(c2c(c(co2)OC)n1C)C)C)OC)c1cc2c(s1)c(c(n2C)c1sc2c(c(c3c(c2OC)c(cn3C)C)OC)c1C)C	


key: InChI
value:
  InChI=1S/C43H43N5O5S3/c1-18-16-46(6)36-27(18)40(52-12)43-29(39(36)51-11)20(3)42(56-43)34-22(5)41-23(47(34)7)14-25(55-41)30-31-32(45-26(54-13)15-44-31)28(19(2)37(30)50-10)33-21(4)38-35(48(33)8)24(49-9)17-53-38/h14-17H,1-13H3


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1cc2c(s1)c(c(n2C)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cn1C)C)OC)C)c1n(C)c2c(c1C)occ2OC	


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)OC)c1c(c2c(c(co2)C)n1C)SC)C)SC)c1c(c2c(s1)c(c(n2C)c1sc2c(c(c3c(c2OC)c(cn3C)C)OC)c1C)SC)F	


key: InChI
value:
  InChI=1S/C44H44FN5O5S5/c1-17-15-48(5)29-21(17)34(52-9)39-23(33(29)51-8)20(4)37(59-39)32-41(58-14)42-31(50(32)7)25(45)38(60-42)24-27-26(46-43(53-10)44(47-27)54-11)22(19(3)36(24)56-12)30-40(57-13)35-28(49(30)6)18(2)16-55-35/h15-16H,1-14H3


key: CAN_SMILES
value:
  COc1nc2c(nc1OC)c(c(c(c2c1n(C)c2c(c1SC)occ2C)C)SC)c1sc2c(c1F)n(c(c2SC)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cn1C)C	


key: InChI
value:
  InChI=1S/C34H25N3O7S3/c1-14-12-40-33-28-19(43-29(14)33)8-16(37(28)2)17-9-21-32(41-17)34(47-6)30(44-21)15-7-23(45-4)25(27-26(15)36-24(46-5)11-35-27)18-10-20-31(42-18)22(38-3)13-39-20/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C36H30F2N4O2S7/c1-15-11-19(27-18(45-5)9-10-41(27)2)50-32(15)17-12-20-28(42(17)3)35(48-8)34(51-20)22-24(38)33(47-7)23(26-25(22)39-13-21(40-26)46-6)30-31(43-4)36-29(44-30)16(37)14-49-36/h9-14H,1-8H3


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


key: InChI
value:
  InChI=1S/C35H27F3N4O2S7/c1-41-9-8-14(36)26(41)31-19(45-4)11-17(50-31)16-10-18-27(42(16)2)34(48-7)33(51-18)21-23(38)32(47-6)22(25-24(21)39-12-20(40-25)46-5)29-30(43-3)35-28(44-29)15(37)13-49-35/h8-13H,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)c1c(c2c(c3c(c(co3)F)o2)s1)SC)SC	


key: InChI
value:
  InChI=1S/C34H22F3N3O4S7/c1-40-13(28-34(48-6)27-33(51-28)26-22(43-27)11(35)9-42-26)7-14-21(40)31(47-5)30(50-14)16-18(37)29(46-4)17(20-19(16)38-8-15(39-20)45-3)24-25(41-2)32-23(44-24)12(36)10-49-32/h7-10H,1-6H3


key: InChI
value:
  InChI=1S/C35H31FN4O5S4/c1-14-25-29(21(47-8)12-39(25)3)45-28(14)16-10-19(46-7)22(24-23(16)38-35(36)15(2)37-24)17-11-20-30(44-17)34(48-9)33(49-20)27-31(42-6)32-26(40(27)4)18(41-5)13-43-32/h10-13H,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(cc2n1C)c(cs3)F)SC)SC)SC	


key: InChI
value:
  InChI=1S/C39H32F2N4O2S7/c1-15-29-32(24(49-6)13-44(29)3)47-31(15)18-11-22(48-5)26(28-27(18)43-39(41)16(2)42-28)21-12-23-33(46-21)38(52-9)37(54-23)30-35(50-7)25-20(45(30)4)10-17-19(40)14-53-34(17)36(25)51-8/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C29H10F5NO5SSe/c1-35-7-12(31)9-5-13-17(20(32)22(9)35)21(33)27(39-13)28-11(30)6-14(41-28)25-19-18(26(40-25)15-3-2-4-42-15)23(36)10-8-38-29(34)16(10)24(19)37/h2-8H,1H3


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)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/C43H29F3N2O5S4Se/c1-16-11-22(56-18(16)3)29-30-33(45)35(48(5)34(30)28(26-17(2)14-51-40(26)29)21-13-24(54-6)43(55-7)47(21)4)41-20(44)12-23(57-41)38-32-31(39(53-38)25-9-8-10-58-25)36(49)19-15-52-42(46)27(19)37(32)50/h8-15H,1-7H3


key: CAN_SMILES
value:
  CSc1c(SC)cc(n1C)c1c2c(C)coc2c(c2c1n(C)c(c2F)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1)c1cc(c(s1)C)C	


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


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)ccs3)c2cc(c(F)n2C)OC)c1OC)F	


key: InChI
value:
  InChI=1S/C41H24F3NO8S3Se/c1-15-22(54-5)13-20(51-15)25-16-8-9-55-38(16)27(19-12-21(48-3)40(43)45(19)2)30-35(25)53-37(36(30)49-4)39-18(42)11-23(56-39)33-29-28(34(52-33)24-7-6-10-57-24)31(46)17-14-50-41(44)26(17)32(29)47/h6-14H,1-5H3


key: CAN_SMILES
value:
  COc1cc(n(c1F)C)c1c2c(OC)c(oc2c(c2c1scc2)c1oc(c(c1)SC)C)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1	


key: InChI
value:
  InChI=1S/C28H14FNO3S4Se2/c1-10-19-12(9-35-10)22(31)20-21(23(19)32)24(15-5-11(29)8-36-15)33-25(20)16-7-17(34-2)26(37-16)18-6-14-28(39-18)27-13(30-14)3-4-38-27/h3-9,30H,1-2H3


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(cs3)OC)c2ccc(cc2)C)c1C)F	


key: InChI
value:
  InChI=1S/C44H24F4O6S2Se/c1-17-7-9-20(10-8-17)30-28-19(3)38(53-41(28)29(32-25(51-4)16-55-43(30)32)21-12-18(2)35(47)23(45)13-21)42-24(46)14-26(56-42)39-34-33(40(54-39)27-6-5-11-57-27)36(49)22-15-52-44(48)31(22)37(34)50/h5-16H,1-4H3


key: CAN_SMILES
value:
  COc1csc2c1c(c1cc(C)c(c(c1)F)F)c1c(c2c2ccc(cc2)C)c(c(o1)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1)C	


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


key: InChI
value:
  InChI=1S/C26H11F3O3S6/c1-8-5-12(34-6-8)21-14-13(18(30)15-16(19(14)31)26(33-2)38-25(15)29)20(32-21)10-3-4-11(36-10)23-17(28)24-22(37-23)9(27)7-35-24/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C29H20FNO4S5/c1-11-8-39-29-21(11)31(3)22(27(29)34-4)28-17(36-5)7-16(40-28)26-19-20(25(35-26)15-6-13(30)9-38-15)24(33)18-12(2)37-10-14(18)23(19)32/h6-10H,1-5H3


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


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)csc2c(c2c1n(C)c(c2C)c1ccc(s1)c1oc(c2c1C(=O)c1c(C2=O)c(sc1F)SC)c1scc(c1)C)c1cc(c(s1)C)F	


key: InChI
value:
  InChI=1S/C43H29F2NO3S9/c1-16-12-24(53-14-16)40-32-31(37(47)33-34(38(32)48)43(52-7)58-42(33)45)39(49-40)22-9-8-21(56-22)35-17(2)27-29(23-13-19(44)18(3)55-23)41-30(25(50-5)15-54-41)28(36(27)46(35)4)20-10-11-26(51-6)57-20/h8-15H,1-7H3


key: InChI
value:
  InChI=1S/C30H22FNO6S3Se/c1-11-9-41-29-21(11)32(3)22(28(29)35-4)25-14(31)8-15(37-25)26-18-19(27(38-26)16-7-13(39-6)10-40-16)23(33)17-12(2)42-30(36-5)20(17)24(18)34/h7-10H,1-6H3


key: InChI
value:
  InChI=1S/C31H22O5S4Se/c1-13-9-18(36-27(13)28-14(2)10-19(39-28)17-7-6-8-34-17)29-22-23(30(40-29)20-11-16(37-4)12-41-20)26(33)24-21(25(22)32)15(3)35-31(24)38-5/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C32H24FNO4S5Se/c1-13-9-17(38-28(13)18-11-19(40-5)30(42-18)25-16(33)7-8-34(25)3)29-22-23(31(43-29)20-10-15(39-4)12-44-20)27(36)24-21(26(22)35)14(2)37-32(24)41-6/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C29H27FN4OS5/c1-14-9-17(28-24(30)22(37-5)13-35-28)25-26(33-40-32-25)23(14)27-29(38-6)15(2)18(11-31-27)20-7-8-21(39-20)19-10-16(36-4)12-34(19)3/h7-10,12-13,18H,11H2,1-6H3/t18-/m1/s1


key: InChI
value:
  InChI=1S/C32H23NO6S4Se/c1-12-7-17(39-27(12)15-9-16-24(33(15)3)29-28(38-16)18(41-5)10-36-29)30-21-22(31(43-30)19-8-14(40-4)11-44-19)26(35)23-20(25(21)34)13(2)37-32(23)42-6/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H21FN4OS3Se2/c1-11-7-13(23-19(28)16(34-3)9-33-23)20-21(31-36-30-20)18(11)22-24(35-4)12(2)27(10-32(22)27)17-8-15-26(38-17)25-14(29-15)5-6-37-25/h5-9,12,29H,10H2,1-4H3/t12-,27+,32-/m0/s1


key: InChI
value:
  InChI=1S/C28H16F2O4S5Se/c1-10-18-21(28(33-10)36-3)23(32)20-19(22(18)31)26(39-27(20)17-5-12(35-2)9-40-17)16-4-11-7-37-25-14(30)8-38-24(25)13(29)6-15(11)34-16/h4-6,8-9H,7H2,1-3H3/b13-6-


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)27-17(4)22(30)28(37-27)29-15(2)12-20(38-29)19-9-8-10-36-19/h8-13H,1-7H3


key: InChI
value:
  InChI=1S/C30H19NO4S3Se3/c1-11-7-16(35-25(11)17-9-15-29(41-17)28-14(31-15)5-6-39-28)26-20-21(27(38-26)18-8-13(36-3)10-40-18)24(33)22-19(23(20)32)12(2)34-30(22)37-4/h5-10,31H,1-4H3


key: InChI
value:
  InChI=1S/C28H25FN4O3SeSi/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(36-25)16-10-18-28(37-16)27-17(38-18)7-8-35-27/h7-11H,38H2,1-6H3


key: InChI
value:
  InChI=1S/C30H20FNO3S6/c1-13-23-16(12-38-13)26(33)24-25(27(23)34)28(20-7-14(31)11-39-20)35-29(24)21-9-22(37-4)30(41-21)19-6-5-18(40-19)17-8-15(36-3)10-32(17)2/h5-12H,1-4H3


key: InChI
value:
  InChI=1S/C29H25FN4O3S4/c1-12-7-14(25-20(30)16(38-4)9-35-25)21-22(32-41-31-21)19(12)24-28(40-6)13(2)29(11-34(24)29)18-8-15-23(33(18)3)27-26(37-15)17(39-5)10-36-27/h7-10,13H,11H2,1-6H3/t13-,29+,34-/m0/s1


key: InChI
value:
  InChI=1S/C28H27FN4OS5/c1-12-8-15(24-19(29)17(35-5)11-34-24)20-21(32-39-31-20)18(12)22-26(36-6)14(3)16(9-30-22)27-28(37-7)23-25(38-27)13(2)10-33(23)4/h8,10-11,16H,9H2,1-7H3/t16-/m1/s1


key: InChI
value:
  InChI=1S/C30H28FN5O4S/c1-13-9-16(24-26(37-7)14(2)11-34(24)4)22-23(33-36(6)32-22)20(13)27-15(3)21(31)28(40-27)17-10-18-25(35(17)5)30-29(39-18)19(41-8)12-38-30/h9-12H,1-8H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cs1)F)SC)F)c1c(c(c(o1)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(cs3)OC)c2ccc(cc2)C)c1C)OC)OC	


key: InChI
value:
  InChI=1S/C44H33F4N3O5S3/c1-18-9-11-21(12-10-18)30-28-20(3)36(55-37(28)29(32-27(52-5)17-59-44(30)32)22-13-19(2)33(48)25(46)14-22)41-40(54-7)39(53-6)38(56-41)31-24(45)15-23(34-35(31)50-51(4)49-34)42-43(57-8)26(47)16-58-42/h9-17H,1-8H3


key: CAN_SMILES
value:
  COc1c(oc(c1OC)c1c(F)cc(c2c1nn(n2)C)c1scc(c1SC)F)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1	


key: InChI
value:
  InChI=1S/C27H21F2N3O2S4/c1-12-9-18(17-7-6-8-33-17)37-23(12)27-25(35-4)13(2)24(38-27)19-15(28)10-14(20-21(19)31-34-30-20)22-26(36-5)16(29)11-32(22)3/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C28H22F2N4O3S4/c1-11-25(18-13(29)7-12(19-20(18)32-37-31-19)21-27(40-6)14(30)9-33(21)2)41-28(26(11)39-5)15-8-16-22(34(15)3)24-23(36-16)17(38-4)10-35-24/h7-10H,1-6H3


key: InChI
value:
  InChI=1S/C27H24F2N4OS5/c1-11-9-32(3)20-21(11)38-27(25(20)37-7)26-23(35-5)12(2)22(39-26)16-14(28)8-13(17-18(16)31-34-30-17)19-24(36-6)15(29)10-33(19)4/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C25H15F3N2O5S3/c1-31-12-6-7-33-23(12)15-5-4-14(38-15)13-8-10(26)21(34-13)16-18(28)24(36-3)17(20-19(16)29-35-30-20)25-22(32-2)11(27)9-37-25/h4-9H,1-3H3


key: InChI
value:
  InChI=1S/C29H15F3O5S4/c1-10-4-12-13(6-16(10)35-2)23(34)19-20(22(12)33)27(41-26(19)17-5-11(38-3)8-36-17)18-7-14(30)24(37-18)28-21(32)29-25(40-28)15(31)9-39-29/h4-9H,1-3H3


key: InChI
value:
  InChI=1S/C36H25F2NO5S5/c1-14-7-16-17(10-22(14)42-3)30(41)26-27(29(16)40)34(49-33(26)23-8-15(45-4)12-43-23)24-11-19(37)31(44-24)28-35(46-5)25-21(39(28)2)9-18-20(38)13-48-32(18)36(25)47-6/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C31H19FO5S3SeSi/c1-12-6-14-15(8-17(12)35-2)26(34)23-24(25(14)33)29(40-28(23)18-7-13(38-3)11-36-18)19-9-16(32)27(37-19)20-10-22-31(41-20)30-21(42-22)4-5-39-30/h4-11H,42H2,1-3H3


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


key: SMILES
value:
  c1(c2c(c([se]1)c1cc(c[se]1)F)C(=O)c1c(C2=O)cc(c(c1)OC)SC)c1cc(c(o1)c1oc2c(c(c3c(c2C)c(co3)C)C)c1F)F	


key: InChI
value:
  InChI=1S/C35H21F3O6SSe2/c1-12-10-42-30-14(3)24-27(38)33(44-31(24)13(2)23(12)30)32-18(37)9-20(43-32)34-25-26(35(47-34)22-6-15(36)11-46-22)28(39)16-7-19(41-4)21(45-5)8-17(16)29(25)40/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)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)ccs3)c1cc(c(o1)F)OC)F	


key: InChI
value:
  InChI=1S/C44H28F4N2O6S3Se2/c1-49-24(10-21-33(26-15-28(54-4)44(48)56-26)40-18(7-8-59-40)32(36(21)49)23-14-30(58-6)43(47)50(23)2)39-22(46)13-27(55-39)41-34-35(42(61-41)31-9-17(45)16-60-31)37(51)19-11-25(53-3)29(57-5)12-20(19)38(34)52/h7-16H,1-6H3


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


key: InChI
value:
  InChI=1S/C30H15F2NO5S2Se2/c1-36-17-6-12-13(7-20(17)39-2)25(35)22-23(24(12)34)30(21-5-11(31)10-41-21)42-29(22)19-8-14(32)26(38-19)18-9-16-27(37-18)28-15(33-16)3-4-40-28/h3-10,33H,1-2H3


key: InChI
value:
  InChI=1S/C33H24F2N2O4SSe2/c1-15-8-18-19(11-24(15)41-5)30(39)28-27(29(18)38)32(44-33(28)26-9-16(34)14-43-26)25-12-20(35)31(42-25)22-7-6-21(37(22)3)23-10-17(40-4)13-36(23)2/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C32H20F2O4S3Se2/c1-13-5-6-39-28(13)21-11-20(38-4)30(40-21)29-18(34)10-22(41-29)31-24-25(32(43-31)23-8-15(33)12-42-23)27(36)17-9-19(37-3)14(2)7-16(17)26(24)35/h5-12H,1-4H3


key: InChI
value:
  InChI=1S/C32H21F2NO6S3/c1-35-8-7-18(34)26(35)32-22(42-4)12-23(44-32)31-20(39-3)11-21(43-31)30-25-24(29(41-30)19-9-14(33)13-40-19)27(36)16-6-5-15(38-2)10-17(16)28(25)37/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C28H13F3O6S3/c1-35-11-3-4-12-13(6-11)22(34)19-18(21(12)33)23(16-5-10(29)8-36-16)37-24(19)17-7-15(32)25(39-17)28-20(31)26-27(40(28)2)14(30)9-38-26/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C30H17FO7SSeSi/c1-34-13-3-4-14-15(8-13)25(33)23-22(24(14)32)26(16-7-12(31)11-36-16)38-27(23)19-9-17(35-2)29(39-19)18-10-21-28(37-18)30-20(41-21)5-6-40-30/h3-11H,41H2,1-2H3


key: InChI
value:
  InChI=1S/C32H21F2NO4S2Se3/c1-35-8-7-16(33)26(35)29-20(40-4)13-21(41-29)30-19(39-3)12-23(43-30)32-25-24(31(44-32)22-6-5-9-42-22)27(36)14-10-17(34)18(38-2)11-15(14)28(25)37/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C32H20FNO6Se3/c1-13-12-39-29-25-19(40-28(13)29)10-17(34(25)2)30-20(38-4)11-22(42-30)32-24-23(31(43-32)21-6-5-7-41-21)26(35)14-8-16(33)18(37-3)9-15(14)27(24)36/h5-12H,1-4H3


key: InChI
value:
  InChI=1S/C34H22F4N2O3S/c1-15-14-42-31-23(15)33(41-3)34-25(26(31)37)27(38)32(43-34)24-16(2)22(44-4)13-21-30(24)40-28(17-8-6-5-7-9-17)29(39-21)18-10-11-19(35)20(36)12-18/h5-14H,1-4H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1ccc(c(c1)C)F)c1ccc(c(c1)C)OC)OC)F)c1sc2c(c(c3c(c2c2ccc(s2)F)c(cs3)SC)c2cc(c(s2)OC)C)c1	


key: InChI
value:
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key: CAN_SMILES
value:
  COc1cc2nc(c3ccc(c(c3)C)F)c(nc2c(c1F)c1cc2c(s1)c(c1ccc(s1)F)c1c(c2c2cc(c(s2)OC)C)scc1SC)c1ccc(c(c1)C)OC	


key: InChI
value:
  InChI=1S/C32H23F2N3O2Se2/c1-15-11-17(5-7-19(15)33)28-29(18-6-8-23(38-3)16(2)12-18)37-30-21(36-28)13-24(39-4)27(34)26(30)25-14-22-32(41-25)31-20(35-22)9-10-40-31/h5-14,35H,1-4H3


key: InChI
value:
  InChI=1S/C32H24F2GeN2O2S3Se/c1-38-17-7-5-6-15(10-17)28-29(16-11-21(39-2)26(33)23(12-16)40-3)37-30-20(36-28)14-24(41-4)27(34)25(30)22-13-19-31(42-22)32-18(35-19)8-9-43-32/h5-14H,35H2,1-4H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1sc2c(c(c3c(c2c2ccc(s2)F)c(cs3)SC)c2cc(c(s2)OC)C)c1	


key: InChI
value:
  InChI=1S/C44H31F3N2O2S7/c1-20-14-28(58-44(20)51-3)34-24-18-29(57-42(24)36(27-12-13-33(47)56-27)37-32(54-6)19-55-43(34)37)35-25(46)10-11-26-40(35)49-38(21-8-7-9-23(45)15-21)39(48-26)22-16-30(52-4)41(50-2)31(17-22)53-5/h7-19H,1-6H3


key: CAN_SMILES
value:
  CSc1cc(cc(c1OC)SC)c1nc2ccc(c(c2nc1c1cccc(c1)F)c1cc2c(s1)c(c1ccc(s1)F)c1c(c2c2cc(c(s2)OC)C)scc1SC)F	


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC	


key: InChI
value:
  InChI=1S/C52H44F3N3O3S5/c1-25-14-15-27(18-26(25)2)39-42-38(64-9)24-66-52(42)40(29-20-33(55)51(65-10)35(21-29)59-4)43-47(39)58(3)48(50(43)61-6)41-32(54)16-17-34-46(41)57-44(28-12-11-13-31(53)19-28)45(56-34)30-22-36(62-7)49(60-5)37(23-30)63-8/h11-24H,1-10H3


key: CAN_SMILES
value:
  COc1c(SC)cc(cc1SC)c1nc2ccc(c(c2nc1c1cccc(c1)F)c1n(C)c2c(c1OC)c(c1cc(F)c(c(c1)OC)SC)c1c(c2c2ccc(c(c2)C)C)c(SC)cs1)F	


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1	


key: InChI
value:
  InChI=1S/C49H37F3N2O2S5/c1-24-13-27(17-32(14-24)55-3)41-34-22-37(61-48(34)42(40-25(2)23-60-49(40)41)28-16-31(51)21-33(18-28)57-5)43-35(52)11-12-36-46(43)54-44(26-9-8-10-30(50)15-26)45(53-36)29-19-38(58-6)47(56-4)39(20-29)59-7/h8-23H,1-7H3


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)c1c(F)ccc2c1nc(c1cccc(c1)F)c(n2)c1cc(SC)c(c(c1)SC)OC	


key: InChI
value:
  InChI=1S/C31H21F2N3O2S2Se/c1-37-30-23(39-2)12-16(13-24(30)40-3)27-26(15-5-4-6-17(32)11-15)36-28-19(35-27)8-7-18(33)25(28)22-14-21-29(38-22)31-20(34-21)9-10-41-31/h4-14,34H,1-3H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)F)C)c1cc(cc(c1)OC)SC)c1c(c(cn1C)OC)SC)SC)SC)c1ccc(o1)c1c(c2c(c3c(cc2n1C)c(cs3)F)SC)SC	


key: InChI
value:
  InChI=1S/C50H46F2N4O3S7/c1-23-15-25(16-24(2)38(23)52)39-40(26-17-27(57-5)19-28(18-26)60-7)53-41-36(49(64-11)50(65-12)37(42(41)54-39)44-46(61-8)34(58-6)21-55(44)3)32-13-14-33(59-32)43-47(62-9)35-31(56(43)4)20-29-30(51)22-66-45(29)48(35)63-10/h13-22H,1-12H3


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3c(SC)c4c(n3C)cc3c(c4SC)scc3F)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)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F)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)c1n(C)c(c(c1C)C)c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)occ1C)C	


key: InChI
value:
  InChI=1S/C62H59F3N6O3S5/c1-28-20-44(79-33(28)6)48-49-50(65)58(71(10)57(49)47(46-30(3)27-74-60(46)48)42-25-45(76-14)62(78-16)69(42)8)56-32(5)31(4)55(70(56)9)38-18-17-37(41-24-36(75-13)26-68(41)7)53-54(38)67-51(34-19-29(2)59(73-12)43(23-34)72-11)52(66-53)35-21-39(63)61(77-15)40(64)22-35/h17-27H,1-16H3


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


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3sc4c(c3SC)c(c3cc(F)c(c(c3)F)OC)c3c(c4c4ccc(c(c4)C)OC)ccn3C)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


key: InChI
value:
  InChI=1S/C64H57F3N4O5S6/c1-30-21-33(15-16-42(30)73-7)46-39-19-20-70(4)56(39)47(34-26-40(65)58(75-9)41(66)27-34)49-61(46)82-60(63(49)80-13)44-18-17-43(76-44)48-54-55(50(64(81-14)62(48)79-12)57-59(78-11)45(74-8)29-71(57)5)69-52(35-22-31(2)51(67)32(3)23-35)53(68-54)36-24-37(72-6)28-38(25-36)77-10/h15-29H,1-14H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1c(c2c(c(co2)OC)n1C)OC)C	


key: InChI
value:
  InChI=1S/C44H40F2N4O6S2/c1-21-16-23(13-14-25(21)45)33-34(24-18-26(46)39(53-7)28(19-24)51-5)48-36-32(44(57-10)40(54-8)31(35(36)47-33)27-12-11-15-49(27)3)30-17-22(2)43(58-30)38-41(55-9)42-37(50(38)4)29(52-6)20-56-42/h11-20H,1-10H3


key: CAN_SMILES
value:
  COc1cc(cc(c1OC)F)c1nc2c(c3sc(c(c3)C)c3c(OC)c4c(n3C)c(co4)OC)c(SC)c(c(c2nc1c1ccc(c(c1)C)F)c1cccn1C)OC	


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(cc2n1C)c(cs3)F)SC)SC)C	


key: InChI
value:
  InChI=1S/C48H41F3N4O3S5/c1-22-16-24(13-14-27(22)49)37-38(25-18-28(50)42(57-6)32(19-25)56-5)53-40-36(47(60-9)43(58-7)34(39(40)52-37)30-12-11-15-54(30)3)33-17-23(2)44(63-33)41-46(59-8)35-31(55(41)4)20-26-29(51)21-62-45(26)48(35)61-10/h11-21H,1-10H3


key: CAN_SMILES
value:
  CSc1c(c2cc(c(s2)c2n(C)c3c(c2SC)c(SC)c2c(c3)c(F)cs2)C)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(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1cc2c(c3c(c(co3)F)o2)s1)OC)F	


key: InChI
value:
  InChI=1S/C42H28F5N3O4S5/c1-50-35(24-14-22-41(59-24)40-37(54-22)21(44)15-52-40)39(51-2)30(47)36(50)26-29(46)42(58-6)27(38-28(45)25(57-5)16-53-38)34-33(26)49-32(18-9-12-20(43)23(13-18)56-4)31(48-34)17-7-10-19(55-3)11-8-17/h7-16H,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)c1sc2c(c1)oc1c2occ1F)OC)F	


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1[se]c2c3sccc3[SiH2]c2c1)C	


key: InChI
value:
  InChI=1S/C43H35F2N3O3S3SeSi/c1-20-15-22(10-11-24(20)44)34-35(23-17-25(45)38(50-5)27(18-23)49-4)47-37-33(42(52-7)39(51-6)32(36(37)46-34)26-9-8-13-48(26)3)28-16-21(2)40(54-28)29-19-31-43(55-29)41-30(56-31)12-14-53-41/h8-19H,56H2,1-7H3


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C20H18FN3O3S/c1-24-10-11(25-2)7-13(24)14-5-6-15(27-14)18-19(21)16(26-3)8-12-20(18)22-9-17(23-12)28-4/h5-10H,1-4H3


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C38H22F4N4O4S8/c1-51-33-27-31(25-22(48-27)15(41)10-47-25)57-30(33)13-9-14(40)17(21-20(13)45-37(55-5)38(46-21)56-6)23-18(42)24-26(49-23)32-28(50-24)34(52-2)29(58-32)12-7-11(39)8-16-19(12)44-36(54-4)35(43-16)53-3/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: 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:
  InChI=1S/C18H10F2N2O2S2/c1-7-5-21-12-10(22-7)4-3-8(19)11(12)16-18(25-2)15-17(26-16)14-13(24-15)9(20)6-23-14/h3-6H,1-2H3


key: InChI
value:
  InChI=1S/C24H22FN3O2S/c1-11-10-28(4)20-16(11)22(30-6)24-17(21(20)29-5)13(3)23(31-24)18-14(25)7-8-15-19(18)26-9-12(2)27-15/h7-10H,1-6H3


key: InChI
value:
  InChI=1S/C32H25F2N3O4S2/c1-14-13-35-27-18(36-14)8-7-17(33)24(27)30-29(39-5)26-25(19-11-21(38-4)32(34)37(19)3)31-16(9-10-43-31)23(28(26)41-30)20-12-22(42-6)15(2)40-20/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C20H15FN2O4S3/c1-24-10-6-5-9-12(23-20(29-4)19(22-9)25-2)11(10)16-18(28-3)15-17(30-16)14-13(27-15)8(21)7-26-14/h5-7H,1-4H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: InChI
value:
  InChI=1S/C32H22N8O2S2/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:
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key: InChI
value:
  InChI=1S/C28H14FNO4S5/c1-10-19-12(9-37-10)22(31)20-21(23(19)32)25(16-5-11(29)8-38-16)34-26(20)17-7-18(35-2)28(39-17)15-6-14-24(33-15)27-13(30-14)3-4-36-27/h3-9,30H,1-2H3


key: InChI
value:
  InChI=1S/C30H16FNO7S2/c1-35-13-3-4-14-15(8-13)25(34)23-22(24(14)33)27(18-7-12(31)11-37-18)39-28(23)21-10-19(36-2)30(41-21)20-9-17-26(38-20)29-16(32-17)5-6-40-29/h3-11,32H,1-2H3


key: InChI
value:
  InChI=1S/C18H13FN2O2SSeSi/c1-22-9-5-8-16(20-7-13(21-8)24-2)14(15(9)19)10-6-12-18(25-10)17-11(26-12)3-4-23-17/h3-7H,26H2,1-2H3


key: InChI
value:
  InChI=1S/C26H16F3N3O3S4/c1-9-22(39-26(23(9)36-3)15-6-14-25(38-15)21-20(34-14)13(29)8-33-21)16-11(27)5-10(17-18(16)31-35-30-17)19-24(37-4)12(28)7-32(19)2/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C31H21FO7S4Se/c1-12-20-23(31(36-3)44-12)25(34)21-22(24(20)33)29(19-8-13(40-4)11-43-19)39-27(21)16-9-14(32)26(37-16)17-10-15(35-2)28(38-17)30-18(41-5)6-7-42-30/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C31H24F3N3O4S3/c1-11-7-14(25-19(32)15(42-5)9-40-25)22-23(36-44-35-22)16(11)24-29(43-6)13(3)31(10-37(24)31)30-21(34)18-20(33)26-17(12(2)8-39-26)27(38-4)28(18)41-30/h7-9,13H,10H2,1-6H3/t13-,31+,37-/m0/s1


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


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C49H43F2N5O5S5/c1-18-14-26(65-23(18)6)31-32-34(51)40(56(9)39(32)30(28-19(2)16-58-44(28)31)25-15-27(62-11)49(64-13)54(25)7)37-21(4)42-38(55(37)8)22(5)41(60-42)33-36-35(52-66-53-36)29(20(3)48(33)63-12)45-46(57-10)47-43(61-45)24(50)17-59-47/h14-17H,1-13H3


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)c1oc2c3[se]ccc3[nH]c2c1)SC)OC	


key: InChI
value:
  InChI=1S/C51H42F3N5O6S5Se/c1-20-14-21(17-29(66-9)40(20)60-4)32-33(22-15-23(52)41(61-5)24(53)16-22)57-35-31(43(62-6)46(67-10)30(34(35)56-32)38-44(63-7)48-36(58(38)2)25(54)19-69-48)47-45(64-8)39-50(70-47)49(68-11)37(59(39)3)28-18-27-42(65-28)51-26(55-27)12-13-71-51/h12-19,55H,1-11H3


key: CAN_SMILES
value:
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key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(c(cn2C)SC)n1C)SC)C)F)c1c(c2c(s1)c(c(o2)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)c(co3)OC)c2cc(c(c(c2)F)C)F)c1SC)C)SC	


key: InChI
value:
  InChI=1S/C54H48F3N5O4S5/c1-21-15-27(16-22(2)23(21)3)34-36-31(63-10)20-64-46(36)35(28-17-29(55)24(4)30(56)18-28)37-47(34)66-48(51(37)68-12)45-26(6)50-49(65-45)54(70-14)52(71-50)38-39(57)25(5)33(40-41(38)59-62(9)58-40)43-53(69-13)44-42(61(43)8)32(67-11)19-60(44)7/h15-20H,1-14H3


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C33H20F2O5S4/c1-11-8-38-28-13(3)21-25(35)32(39-29(21)12(2)20(11)28)33-19(41-5)7-18(44-33)31-23-24(30(40-31)17-6-15(34)9-43-17)27(37)22-14(4)42-10-16(22)26(23)36/h6-10H,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(c3c(cc2n1C)c(cs3)F)SC)SC)F	


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:
  InChI=1S/C38H36N4O4S4/c1-17-11-12-48-36(17)25-14-22(43-7)38(50-25)32-20(4)37-21(41(32)5)13-24(49-37)28-29-30(40-26(47-10)15-39-29)27(18(2)34(28)45-9)31-19(3)35-33(42(31)6)23(44-8)16-46-35/h11-16H,1-10H3


key: InChI
value:
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key: SMILES
value:
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key: InChI
value:
  InChI=1S/C46H26F7N3O4S6/c1-15-7-16(9-18(47)8-15)31-32(17-10-21(57-3)27(50)23(11-17)61-5)55-34-26(43-30(53)46-40(65-43)20(49)14-63-46)44(62-6)38(58-4)25(33(34)54-31)35-28(51)45-36(56(35)2)29(52)42(66-45)24-12-22-41(64-24)39-37(60-22)19(48)13-59-39/h7-14H,1-6H3


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C33H26F2N4O4S5/c1-38-14-8-9-42-26(14)28(40-3)23(38)15-10-16-24(39(15)2)32(46-7)31(48-16)18-20(35)30(45-6)19(22-21(18)36-11-17(37-22)44-5)27-29(41-4)33-25(43-27)13(34)12-47-33/h8-12H,1-7H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)ccs3)c2cc(c(F)n2C)OC)c1OC)SC)C	


key: InChI
value:
  InChI=1S/C63H51F2N3O7S8/c1-26-18-30(20-34(64)52(26)71-8)48-49(31-19-27(2)58(78-12)43(21-31)77-11)66-50-33(41-25-42-39(82-41)15-17-80-42)22-36(69-6)46(51(50)67-48)59-28(3)53-62(83-59)61(79-13)57(74-53)56-55(72-9)47-45(35-23-38(70-7)63(65)68(35)5)60-32(14-16-81-60)44(54(47)75-56)37-24-40(76-10)29(4)73-37/h14-25H,1-13H3


key: CAN_SMILES
value:
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key: SMILES
value:
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key: InChI
value:
  InChI=1S/C46H39F3N4O3S5/c1-20-14-23(10-11-30(20)54-5)33-25-12-13-53(4)40(25)34(24-16-28(47)42(55-6)29(48)17-24)35-45(33)60-44(46(35)59-9)27-18-50-39(43(58-8)22(27)3)32-21(2)15-26(37-38(32)52-61-51-37)41-36(49)31(57-7)19-56-41/h10-17,19,27H,18H2,1-9H3/t27-/m1/s1


key: CAN_SMILES
value:
  CSC1=C(C)[C@@H](CN=C1c1c(C)cc(c2c1nsn2)c1occ(c1F)SC)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(c2)c(cn3C)F)F)c1F)SC)OC	


key: InChI
value:
  InChI=1S/C54H43F6N5O6S5/c1-20-13-21(16-29(72-10)44(20)66-5)35-36(22-14-24(55)45(67-6)25(56)15-22)62-38-32(46(68-7)50(73-11)31(37(38)61-35)41-48(69-8)52-40(64(41)3)27(58)19-75-52)51-49(70-9)43-54(76-51)53(74-12)42(65(43)4)47-34(60)30-28(71-47)17-23-26(57)18-63(2)39(23)33(30)59/h13-19H,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)c1oc2c(c1F)c(F)c1c(c2)c(F)cn1C)C)OC)SC)c1c(OC)c2c(n1C)c(cs2)F	


key: InChI
value:
  InChI=1S/C32H22N4O4S6/c1-37-18-6-5-17-30(35-45-33-17)27(18)24-10-8-23(44-24)20-13-26(42-4)32(40-20)16-12-21(38-2)28(31-29(16)34-46-36-31)25-9-7-22(43-25)19-11-15(41-3)14-39-19/h5-14H,1-4H3


key: InChI
value:
  InChI=1S/C33H29F2N3O5/c1-16-12-18(8-10-20(16)34)27-28(19-9-11-22(39-4)17(2)13-19)37-29-21(36-27)14-23(40-5)26(35)25(29)31-32(42-7)33-30(38(31)3)24(41-6)15-43-33/h8-15H,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(o2)C)SC)ccs3)c2cc(c(F)n2C)OC)c1OC)SC	


key: InChI
value:
  InChI=1S/C48H37F3N4O6S7/c1-18-25(62-7)15-23(59-18)28-19-11-12-66-43(19)29(21-13-24(56-4)48(51)55(21)3)30-39(28)61-38(40(30)57-5)22-14-26-36(54(22)2)46(65-10)45(68-26)31-33(50)44(64-9)32(35-34(31)52-16-27(53-35)63-8)41-42(58-6)47-37(60-41)20(49)17-67-47/h11-17H,1-10H3


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1sc2c(c1SC)n(c(c2)c1oc2c(c1OC)c(c1c(c2c2oc(c(c2)SC)C)ccs1)c1cc(c(n1C)F)OC)C)F)SC)c1oc2c(c1OC)scc2F	


key: InChI
value:
  InChI=1S/C30H20F2N2OSSeSi/c1-15-22(36-2)13-20-28(25(15)21-14-24-29(35-21)30-23(38-24)10-11-37-30)34-26(16-6-4-3-5-7-16)27(33-20)17-8-9-18(31)19(32)12-17/h3-14H,38H2,1-2H3


key: SMILES
value:
  c1(c(c(c(c2c1ncc(n2)SC)c1c(c2c(o1)c(cs2)F)OC)SC)F)c1c(c2c(s1)cc(n2C)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC)SC	


key: InChI
value:
  InChI=1S/C54H45F3N4O4S8/c1-22-13-14-24(15-23(22)2)33-35-31(66-8)21-72-50(35)34(25-16-26(55)49(68-10)29(17-25)62-5)36-44(33)61(4)42(46(36)63-6)28-18-30-43(60(28)3)53(70-12)52(73-30)37-39(57)51(69-11)38(41-40(37)58-19-32(59-41)67-9)47-48(64-7)54-45(65-47)27(56)20-71-54/h13-21H,1-12H3


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1sc2c(c1SC)n(c(c2)c1c(OC)c2c(n1C)c(c1ccc(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)OC)SC)scc1SC)C)F)SC)c1oc2c(c1OC)scc2F	


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1ccc(c(c1)C)F)c1ccc(c(c1)C)OC)OC)F)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)c(co3)OC)c2cc(c(c(c2)F)C)F)c1SC	


key: InChI
value:
  InChI=1S/C52H42F4N2O5S/c1-23-15-31(16-24(2)27(23)5)40-42-39(61-9)22-62-49(42)41(32-19-34(54)28(6)35(55)20-32)43-50(40)63-51(52(43)64-10)44-45(56)38(60-8)21-36-48(44)58-47(30-12-14-37(59-7)26(4)18-30)46(57-36)29-11-13-33(53)25(3)17-29/h11-22H,1-10H3


key: CAN_SMILES
value:
  COc1cc2nc(c3ccc(c(c3)C)F)c(nc2c(c1F)c1oc2c(c1SC)c(c1cc(F)c(c(c1)F)C)c1c(c2c2cc(C)c(c(c2)C)C)c(OC)co1)c1ccc(c(c1)C)OC	


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cn1C)C)OC)C)c1c(c(c(o1)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)F)C	


key: InChI
value:
  InChI=1S/C43H39F2N5O2S5/c1-18-14-23(38-40(51-9)19(2)16-48(38)6)35-36(47-50(8)46-35)29(18)41-21(4)34(45)42(52-41)37-20(3)30-32(26-15-24(44)22(5)56-26)43-33(27(53-10)17-55-43)31(39(30)49(37)7)25-12-13-28(54-11)57-25/h12-17H,1-11H3


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)csc2c(c2c1n(C)c(c2C)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)cc(c1OC)C)c1sc(c(c1)F)C	


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)F)C)c1cc(cc(c1)OC)SC)c1c(c(cn1C)OC)SC)SC)SC)c1ccc(o1)c1c(c2c(c(co2)OC)n1C)OC	


key: InChI
value:
  InChI=1S/C46H45FN4O6S4/c1-22-15-24(16-23(2)34(22)47)35-36(25-17-26(52-5)19-27(18-25)58-9)48-37-32(28-13-14-29(57-28)39-42(55-8)43-40(51(39)4)31(54-7)21-56-43)45(60-11)46(61-12)33(38(37)49-35)41-44(59-10)30(53-6)20-50(41)3/h13-21H,1-12H3


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3c(OC)c4c(n3C)c(co4)OC)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cn1C)C)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/C46H39F3N4O4S/c1-20-11-13-26(14-12-20)34-32-24(5)43(57-44(32)33(35-30(54-9)19-58-46(34)35)27-15-22(3)36(48)29(47)17-27)45-37(49)25(6)42(56-45)31-21(2)16-28(38-39(31)51-53(8)50-38)40-41(55-10)23(4)18-52(40)7/h11-19H,1-10H3


key: CAN_SMILES
value:
  COc1c(C)cn(c1c1cc(C)c(c2c1nn(n2)C)c1oc(c(c1C)F)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1)C	


key: InChI
value:
  InChI=1S/C33H26F2N2O3S3SeSi/c1-38-20-7-6-15(12-21(20)41-3)27-28(16-10-17(34)32(43-5)18(35)11-16)36-19-13-22(42-4)30(39-2)26(29(19)37-27)23-14-25-33(44-23)31-24(45-25)8-9-40-31/h6-14H,45H2,1-5H3


key: InChI
value:
  InChI=1S/C27H24F2N4O6S2/c1-32-18-14(34-3)9-38-22(18)21(35-4)19(32)23-25(37-6)24(36-5)20(39-23)15-12(28)8-11(16-17(15)31-33(2)30-16)26-27(40-7)13(29)10-41-26/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C32H21F3N2O3S4/c1-38-27-20(41-2)11-15(12-21(27)42-3)24-23(14-6-5-7-16(33)10-14)37-25-19(36-24)9-8-17(34)22(25)30-32(43-4)29-31(44-30)28-26(40-29)18(35)13-39-28/h5-13H,1-4H3


key: SMILES
value:
  c1(c(cc(c2nonc12)c1c(c(cn1C)F)SC)F)c1c(c(c(s1)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1)SC)C	


key: InChI
value:
  InChI=1S/C44H34F3N3O2S6/c1-19-9-22(12-25(10-19)51-5)33-27-16-31(57-41(27)34(32-20(2)18-56-44(32)33)23-11-24(45)14-26(13-23)53-6)43-40(54-7)21(3)39(58-43)35-29(46)15-28(36-37(35)49-52-48-36)38-42(55-8)30(47)17-50(38)4/h9-18H,1-8H3


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)c1sc(c(c1SC)C)c1c(F)cc(c2c1non2)c1n(C)cc(c1SC)F	


key: InChI
value:
  InChI=1S/C31H19F3N2O3S3/c1-37-29-22(40-2)10-15(11-23(29)41-3)26-25(14-5-4-6-16(32)9-14)36-27-19(35-26)8-7-17(33)24(27)21-12-20-31(42-21)30-28(39-20)18(34)13-38-30/h4-13H,1-3H3


key: SMILES
value:
  c1(c(cc(c2nonc12)c1c(c(cn1C)F)SC)F)c1c(c(c(s1)c1sc2c(c(c3c(c2c2cc(c(cc2)OC)C)ccn3C)c2cc(c(c(c2)F)OC)F)c1SC)SC)C	


key: InChI
value:
  InChI=1S/C45H36F4N4O3S5/c1-19-14-21(10-11-29(19)54-5)30-23-12-13-52(3)36(23)31(22-15-26(47)38(55-6)27(48)16-22)33-42(30)61-45(43(33)59-9)44-40(57-7)20(2)39(60-44)32-25(46)17-24(34-35(32)51-56-50-34)37-41(58-8)28(49)18-53(37)4/h10-18H,1-9H3


key: CAN_SMILES
value:
  CSc1c(sc(c1C)c1c(F)cc(c2c1non2)c1n(C)cc(c1SC)F)c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)ccn1C	


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)F)F)c(cs3)OC)c2ccc(cc2)C)c1C	


key: InChI
value:
  InChI=1S/C49H36F4N2O3S3/c1-23-11-13-26(14-12-23)39-37-25(3)46(58-48(37)38(41-34(56-4)22-61-49(39)41)28-17-24(2)42(53)32(52)19-28)40-31(51)15-16-33-45(40)55-43(27-9-8-10-30(50)18-27)44(54-33)29-20-35(59-6)47(57-5)36(21-29)60-7/h8-22H,1-7H3


key: CAN_SMILES
value:
  COc1c(SC)cc(cc1SC)c1nc2ccc(c(c2nc1c1cccc(c1)F)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1)F	


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)F	


key: InChI
value:
  InChI=1S/C39H27F4N3O3S7/c1-14-24-26(21-11-16(40)15(2)55-21)37-27(22(50-5)13-54-37)25(20-8-9-23(51-6)56-20)34(24)46(3)33(14)19-10-17(41)35(48-19)28-30(43)38(52-7)29(32-31(28)44-49-45-32)39-36(47-4)18(42)12-53-39/h8-13H,1-7H3


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)csc2c(c2c1n(C)c(c2C)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F)c1sc(c(c1)F)C	


key: InChI
value:
  InChI=1S/C35H31F2N3O2S5/c1-40-17-20(43-4)15-24(40)26-10-11-27(47-26)30-33-23(16-29(45-6)34(30)42-3)38-32(19-12-21(36)35(46-7)22(37)13-19)31(39-33)18-8-9-25(41-2)28(14-18)44-5/h8-17H,1-7H3


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1)F	


key: InChI
value:
  InChI=1S/C42H28F4N2O4S5/c1-17-7-19(10-22(8-17)49-3)30-24-13-28(57-39(24)31(29-18(2)15-55-40(29)30)20-9-21(43)12-23(11-20)53-5)27-14-25(44)37(51-27)32-34(46)41(54-6)33(36-35(32)47-52-48-36)42-38(50-4)26(45)16-56-42/h7-16H,1-6H3


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F	


key: InChI
value:
  InChI=1S/C20H16FN3O2S3/c1-24-12(7-13-16(24)18-17(26-13)14(27-2)8-25-18)10-5-9(21)6-11-15(10)23-20(29-4)19(22-11)28-3/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C24H13F3GeN2O3S3Se/c1-31-20-9(26)7-35-23(20)15-18-17(29-33-30-18)14(16(27)22(15)34-2)19-8(25)5-12(32-19)13-6-11-21(36-13)24-10(28-11)3-4-37-24/h3-7H,28H2,1-2H3


key: InChI
value:
  InChI=1S/C33H27F2N3S7/c1-14-24-26(21-12-18(35)15(2)44-21)31-27(22(39-4)13-43-31)25(20-8-9-23(40-5)45-20)30(24)38(3)29(14)17-10-16(34)11-19-28(17)37-33(42-7)32(36-19)41-6/h8-13H,1-7H3


key: InChI
value:
  InChI=1S/C34H27FN2O6S2/c1-16-9-19-20(12-25(16)41-5)31(39)28-29(30(19)38)34(45-33(28)26-11-18(44-6)15-42-26)27-13-21(35)32(43-27)23-8-7-22(37(23)3)24-10-17(40-4)14-36(24)2/h7-15H,1-6H3


key: InChI
value:
  InChI=1S/C19H18FN3O3S2/c1-23-14(16(25-3)17-15(23)12(24-2)8-26-17)10-6-9(20)7-11-13(10)22-19(28-5)18(21-11)27-4/h6-8H,1-5H3


key: InChI
value:
  InChI=1S/C32H18F2O7S4/c1-11-5-13-14(7-17(11)37-2)23(36)20-21(22(13)35)29(44-28(20)18-6-12(42-3)9-38-18)19-8-15(33)25(40-19)32-31(43-4)27-30(45-32)26-24(41-27)16(34)10-39-26/h5-10H,1-4H3


key: InChI
value:
  InChI=1S/C19H16FN3S2/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: InChI
value:
  InChI=1S/C31H18F2O5S2Se2/c1-13-7-22(18-5-4-6-37-18)40-29(13)28-17(33)11-20(38-28)30-24-25(31(42-30)23-8-14(32)12-41-23)26(34)15-9-19(36-2)21(39-3)10-16(15)27(24)35/h4-12H,1-3H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(c(c1)C)F)c1cc(c(c(c1)F)OC)OC)c1cccn1C)OC)SC)c1cc(c(s1)c1c(c2c(c3c(c(co3)F)o2)s1)SC)C	


key: InChI
value:
  InChI=1S/C44H34F3N3O5S4/c1-19-14-21(11-12-23(19)45)31-32(22-16-24(46)35(52-5)27(17-22)51-4)49-34-30(41(56-7)37(53-6)29(33(34)48-31)26-10-9-13-50(26)3)28-15-20(2)40(58-28)44-43(57-8)39-42(59-44)38-36(55-39)25(47)18-54-38/h9-18H,1-8H3


key: CAN_SMILES
value:
  CSc1c(c2cc(c(s2)c2sc3c(c2SC)oc2c3occ2F)C)c2nc(c3cc(F)c(c(c3)OC)OC)c(nc2c(c1OC)c1cccn1C)c1ccc(c(c1)C)F	


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


key: InChI
value:
  InChI=1S/C43H25F3O5S6Se2/c1-16-8-26(57-43(16)50-3)31-20-12-27(56-39(20)32(24-6-7-30(46)55-24)33-28(53-5)14-54-40(31)33)38-21(45)13-23(51-38)41-34-35(42(59-41)29-9-17(44)15-58-29)36(47)18-10-22(49-2)25(52-4)11-19(18)37(34)48/h6-15H,1-5H3


key: CAN_SMILES
value:
  CSc1cc2C(=O)c3c([se]c(c3C(=O)c2cc1OC)c1[se]cc(c1)F)c1cc(c(o1)c1cc2c(s1)c(c1ccc(s1)F)c1c(c2c2cc(c(s2)OC)C)scc1SC)F	


key: InChI
value:
  InChI=1S/C20H20FN3S5/c1-9-8-24(2)14-15(9)29-17(18(14)27-5)12-13-10(7-11(25-3)16(12)26-4)22-19(21)20(23-13)28-6/h7-8H,1-6H3


key: InChI
value:
  InChI=1S/C32H20F2O4S3Se2/c1-13-7-16-17(10-19(13)37-3)27(36)25-24(26(16)35)31(43-32(25)23-9-15(33)12-42-23)22-11-18(34)29(41-22)20-8-14(2)28(38-20)30-21(39-4)5-6-40-30/h5-12H,1-4H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1ccc(c(c1)SC)OC)SC)OC)c1sc2c(c(c3c(c2c2ccc(s2)F)c(cs3)SC)c2cc(c(s2)OC)C)c1	


key: InChI
value:
  InChI=1S/C46H35F3N2O3S8/c1-20-13-30(62-46(20)54-4)35-23-17-31(61-43(23)36(28-11-12-34(49)60-28)37-33(57-7)19-59-45(35)37)38-41-26(18-32(56-6)42(38)53-3)50-40(22-14-24(47)44(58-8)25(48)15-22)39(51-41)21-9-10-27(52-2)29(16-21)55-5/h9-19H,1-8H3


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/C25H24FN3O3S2/c1-11-10-29(3)21-16(11)23(32-6)25-17(22(21)31-5)12(2)24(34-25)18-19(26)14(30-4)8-13-20(18)27-9-15(28-13)33-7/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C33H25FN2O7S/c1-35-14-18(40-4)12-23(35)21-8-9-22(36(21)2)33-25(41-5)13-26(44-33)32-28-27(31(43-32)24-10-16(34)15-42-24)29(37)19-7-6-17(39-3)11-20(19)30(28)38/h6-15H,1-5H3


key: InChI
value:
  InChI=1S/C18H16FN3OS/c1-9-8-24-18-15(9)22(3)16(17(18)23-4)13-11(19)5-6-12-14(13)20-7-10(2)21-12/h5-8H,1-4H3


key: InChI
value:
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key: InChI
value:
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key: InChI
value:
  InChI=1S/C32H21FO8S3/c1-36-15-5-6-16-17(10-15)27(35)25-24(26(16)34)28(19-9-14(33)13-39-19)41-30(25)23-12-20(38-3)31(44-23)21-11-18(37-2)29(40-21)32-22(42-4)7-8-43-32/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C30H17FO4SSe4Si/c1-34-15-9-13-12(8-14(15)31)24(32)22-23(25(13)33)29(40-28(22)17-4-3-7-37-17)18-10-16(35-2)27(38-18)19-11-21-30(39-19)26-20(41-21)5-6-36-26/h3-11H,41H2,1-2H3


key: InChI
value:
  InChI=1S/C32H24F2N2OS3/c1-17-12-13-39-31(17)26-16-24(37-3)32(40-26)27-18(2)25(38-4)15-23-30(27)36-28(19-8-6-5-7-9-19)29(35-23)20-10-11-21(33)22(34)14-20/h5-16H,1-4H3


key: InChI
value:
  InChI=1S/C30H17F3N2O2S2/c1-14-22(38-2)11-20-27(24(14)23-12-21-30(39-23)29-28(37-21)19(33)13-36-29)35-25(15-6-4-3-5-7-15)26(34-20)16-8-9-17(31)18(32)10-16/h3-13H,1-2H3


key: InChI
value:
  InChI=1S/C18H12FN3O2SSe/c1-23-12-5-9-16(20-7-13(22-9)25-2)14(15(12)19)11-6-10-17(24-11)18-8(21-10)3-4-26-18/h3-7,21H,1-2H3


key: InChI
value:
  InChI=1S/C35H25F3N2O2S/c1-16-15-41-33-19(4)27-29(38)35(42-34(27)18(3)26(16)33)28-17(2)25(43-5)14-24-32(28)40-30(20-9-7-6-8-10-20)31(39-24)21-11-12-22(36)23(37)13-21/h6-15H,1-5H3


key: InChI
value:
  InChI=1S/C19H12F2N2O2S4/c1-26-17-14-16(13-12(25-14)9(21)6-24-13)29-15(17)8-4-7(20)5-10-11(8)23-19(28-3)18(22-10)27-2/h4-6H,1-3H3


key: InChI
value:
  InChI=1S/C30H20F4N2O2S4/c1-37-15-7-5-6-13(8-15)25-26(14-9-18(38-2)22(32)19(10-14)39-3)36-27-17(35-25)11-20(40-4)23(33)21(27)29-24(34)30-28(42-29)16(31)12-41-30/h5-12H,1-4H3


key: SMILES
value:
  c1(c(ccc2nn(nc12)C)C)c1c(c2c(c3c(cc2n1C)c(c(s3)c1cc(c(c2c1nn(n2)C)c1c(c2c(c3c(cc2n1C)c(cs3)F)SC)SC)C)F)SC)SC	


key: CAN_SMILES
value:
  CSc1c2sc(c(c2cc2c1c(SC)c(n2C)c1c(C)ccc2c1nn(n2)C)F)c1cc(C)c(c2c1nn(n2)C)c1c(SC)c2c(n1C)cc1c(c2SC)scc1F	


key: InChI
value:
  InChI=1S/C42H36F2N8S6/c1-17-11-12-23-32(47-51(5)45-23)26(17)34-40(54-8)29-25(50(34)4)15-20-30(44)36(58-38(20)42(29)56-10)21-13-18(2)27(33-31(21)46-52(6)48-33)35-39(53-7)28-24(49(35)3)14-19-22(43)16-57-37(19)41(28)55-9/h11-16H,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)c1ccc(c2c(cco2)OC)s1)SC)C	


key: InChI
value:
  InChI=1S/C48H46FN3O7S4/c1-23-19-26(21-33(60-10)37(23)49)38-39(27-20-30(55-7)45(57-9)34(22-27)61-11)50-40-35(47-29(54-6)16-18-59-47)24(2)44(56-8)36(41(40)51-38)42-25(3)48(62-12)43(52(42)4)31-13-14-32(63-31)46-28(53-5)15-17-58-46/h13-22H,1-12H3


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)c1ccc(s1)c1occc1OC)SC	


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)o1)OC)OC)F	


key: InChI
value:
  InChI=1S/C45H38F4N4O4S5/c1-52-17-16-27(59-6)39(52)25-19-26(54-3)42(57-25)41-44(55-4)34(49)40(53(41)2)30-33(48)45(62-9)31(43-32(47)29(61-8)20-56-43)38-37(30)51-36(22-12-15-24(46)28(18-22)60-7)35(50-38)21-10-13-23(58-5)14-11-21/h10-20H,1-9H3


key: CAN_SMILES
value:
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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)c1sc2c(c(c3c(c2OC)c(cn3C)C)OC)c1C)OC)F	


key: InChI
value:
  InChI=1S/C49H42F4N4O4S5/c1-21-19-56(3)41-29(21)45(59-6)49-30(44(41)58-5)22(2)47(66-49)42-46(60-7)35(53)40(57(42)4)31-34(52)48(65-11)32(43-33(51)28(64-10)20-61-43)39-38(31)55-37(24-14-17-26(50)27(18-24)63-9)36(54-39)23-12-15-25(62-8)16-13-23/h12-20H,1-11H3


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3occ(c3F)SC)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1n(C)c(c(c1F)OC)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cn1C)F	


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(cs2)F)C)F)C)c1c(c2c(cc(s2)c2oc3c4[se]c(cc4[SiH2]c3c2)c2c(c3c(c(c(c4c(c(c(c5c4nsn5)c4c(c5c(cc(s5)c5oc6c7[se]ccc7[SiH2]c6c5)n4C)OC)C)F)o3)C)s2)F)n1C)OC	


key: CAN_SMILES
value:
  COc1c(c2c(C)c(F)c(c3c2nsn3)c2oc3c(c2C)scc3F)n(c2c1sc(c2)c1cc2c(o1)c1c([SiH2]2)cc([se]1)c1sc2c(c1F)oc(c2C)c1c(F)c(C)c(c2c1nsn2)c1c(OC)c2c(n1C)cc(s2)c1cc2c(o1)c1c([SiH2]2)cc[se]1)C	


key: InChI
value:
  InChI=1S/C60H36F4N6O6S6Se2Si2/c1-17-33(40-42(67-81-65-40)35(37(17)62)46-19(3)54-48(75-46)21(61)16-77-54)44-53(72-8)57-23(70(44)6)12-27(79-57)25-14-31-50(74-25)60-32(86-31)15-28(84-60)58-39(64)51-55(80-58)20(4)47(76-51)36-38(63)18(2)34(41-43(36)68-82-66-41)45-52(71-7)56-22(69(45)5)11-26(78-56)24-13-30-49(73-24)59-29(85-30)9-10-83-59/h9-16H,85-86H2,1-8H3


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)c1[se]c2c3occc3[SiH2]c2c1)OC)F	


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


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)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)F	


key: InChI
value:
  InChI=1S/C64H54F3N5OS9/c1-27-19-28(2)21-34(20-27)53-52(33-16-15-29(3)37(22-33)73-10)68-54-45(59-50(66)64-57(72(59)9)42(75-12)26-79-64)31(5)61(77-14)49(55(54)69-53)40-24-36-62(82-40)51(67)60(70(36)7)56-30(4)44-47(39-23-35(65)32(6)80-39)63-48(41(74-11)25-78-63)46(58(44)71(56)8)38-17-18-43(76-13)81-38/h15-26H,1-14H3


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)csc2c(c2c1n(C)c(c2C)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)c1cc(c(s1)C)F	


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)OC)c1c(c(co1)C)SC)OC)C)c1c(c(c(o1)c1sc2c(c(c3c(c2c2cc(c(cc2)OC)C)ccn3C)c2cc(c(c(c2)F)OC)F)c1SC)F)C	


key: InChI
value:
  InChI=1S/C50H44F3N3O6S3/c1-21-17-26(13-14-31(21)57-7)33-28-15-16-56(6)40(28)34(27-18-29(51)43(59-9)30(52)19-27)35-47(33)65-49(48(35)64-12)45-37(53)24(4)42(62-45)32-23(3)41(58-8)36(44-46(63-11)22(2)20-61-44)39-38(32)55-50(60-10)25(5)54-39/h13-20H,1-12H3


key: CAN_SMILES
value:
  COc1nc2c(c3oc(c(c3C)F)c3sc4c(c3SC)c(c3cc(F)c(c(c3)F)OC)c3c(c4c4ccc(c(c4)C)OC)ccn3C)c(C)c(c(c2nc1C)c1occ(c1SC)C)OC	


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1c(c2c(c3c(cc2n1C)c(c(s3)c1ccc(c2c3c(c(o2)c2cc(c(s2)c2c(c4c(c5c(cc4n2C)c(cs5)F)SC)SC)F)C(=O)c2c(C3=O)coc2F)[se]1)F)SC)SC)F	


key: CAN_SMILES
value:
  CSc1c2c(SC)c3sc(c(c3cc2n(c1c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1)C)F)c1ccc([se]1)c1oc(c2c1C(=O)c1c(C2=O)c(oc1)F)c1cc(c(s1)c1n(C)c2c(c1SC)c(SC)c1c(c2)c(F)cs1)F	


key: InChI
value:
  InChI=1S/C62H30F6N2O8S8Se2/c1-69-26-12-19-25(65)18-83-52(19)59(81-5)35(26)57(79-3)42(69)54-24(64)15-29(85-54)49-40-38(45(72)22-17-76-62(68)34(22)47(40)74)51(78-49)31-9-10-32(88-31)56-41(66)20-13-27-36(60(82-6)53(20)86-56)58(80-4)43(70(27)2)55-23(63)14-28(84-55)48-39-37(50(77-48)30-8-7-11-87-30)44(71)21-16-75-61(67)33(21)46(39)73/h7-18H,1-6H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)C)C(=O)c1c(sc(c1C2=O)F)SC)c1ccc(s1)c1c(c2c(c(c(s2)c2c(cc(c3c4c(c(o3)c3ccc(s3)c3c(c5c(c(cs5)F)s3)F)C(=O)c3c(C4=O)c(sc3F)SC)s2)C)F)s1)F	


key: CAN_SMILES
value:
  CSc1sc(c2c1C(=O)c1c(oc(c1C2=O)c1ccc(s1)c1sc2c(c1F)scc2F)c1sc(c(c1)C)c1sc2c(c1F)sc(c2F)c1ccc(s1)c1oc(c2c1C(=O)c1c(C2=O)c(sc1F)SC)c1scc(c1)C)F	


key: InChI
value:
  InChI=1S/C52H20F6O6S12/c1-13-9-20(67-11-13)39-24-22(33(59)26-28(35(24)61)51(65-3)75-49(26)57)37(63-39)16-6-8-19(70-16)44-31(55)47-48(73-44)32(56)46(74-47)41-14(2)10-21(71-41)40-25-23(34(60)27-29(36(25)62)52(66-4)76-50(27)58)38(64-40)17-5-7-18(69-17)43-30(54)45-42(72-43)15(53)12-68-45/h5-12H,1-4H3


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]c2c3[se]c(cc3[nH]c2c1)c1c(cc(c2c3c(c(s2)c2cc(c(o2)c2[se]c4c5[se]ccc5[nH]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([nH]2)cc([se]1)c1[se]c(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1cc(c(o1)c1[se]c2c(c1)[nH]c1c2[se]cc1)C)C	


key: InChI
value:
  InChI=1S/C60H36N2O8S6Se6/c1-19-12-29(70-48(19)31-14-25-55(79-31)54-24(61-25)9-10-77-54)51-39-41(47(66)43-37(45(39)64)22(4)68-60(43)74-8)53(76-51)34-17-30(72-6)58(81-34)35-16-27-57(82-35)56-26(62-27)15-32(80-56)49-20(2)11-28(69-49)50-38-40(52(75-50)33-13-23(71-5)18-78-33)46(65)42-36(44(38)63)21(3)67-59(42)73-7/h9-18,61-62H,1-8H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)F)C(=O)c1c(scc1C2=O)C)c1cc(c(s1)c1ccc(c2cc(c(n2C)c2c(cc(c3c4c(c(o3)c3cc(c(s3)c3ccc(c5cc(cn5C)SC)s3)SC)C(=O)c3c(C4=O)c(sc3)C)s2)F)SC)s1)SC	


key: CAN_SMILES
value:
  CSc1cn(c(c1)c1ccc(s1)c1sc(cc1SC)c1oc(c2c1C(=O)c1csc(c1C2=O)C)c1sc(c(c1)F)c1c(SC)cc(n1C)c1ccc(s1)c1sc(cc1SC)c1oc(c2c1C(=O)c1csc(c1C2=O)C)c1scc(c1)F)C	


key: InChI
value:
  InChI=1S/C60H38F2N2O6S12/c1-23-43-27(21-75-23)50(65)45-47(52(43)67)54(37-13-25(61)20-77-37)69-56(45)39-17-42(74-8)60(81-39)35-12-10-33(79-35)31-16-36(72-6)49(64(31)4)58-29(62)15-38(80-58)55-48-46(51(66)28-22-76-24(2)44(28)53(48)68)57(70-55)40-18-41(73-7)59(82-40)34-11-9-32(78-34)30-14-26(71-5)19-63(30)3/h9-22H,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)c1oc2c3[se]c(cc3[nH]c2c1)c1c(c(c(c2c(c(c(c3c2nc(c(n3)C)OC)c2c(c(c(s2)c2oc3c4[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(o1)c1c([nH]2)cc[se]1)c1cc2c([se]1)c1c([nH]2)cc(o1)c1sc(c(c1F)SC)c1c(OC)c(F)c(c2c1nc(C)c(n2)OC)c1occ(c1SC)F	


key: InChI
value:
  InChI=1S/C58H38F6N6O8S6Se2/c1-17-57(73-5)69-36-27(45-47(79-7)19(59)16-75-45)31(60)43(71-3)29(38(36)65-17)50-54(82-10)35(64)49(84-50)25-14-22-41(77-25)56-23(68-22)15-26(86-56)42-33(62)52(80-8)46(78-42)28-32(61)44(72-4)30(39-37(28)70-58(74-6)18(2)66-39)51-53(81-9)34(63)48(83-51)24-13-21-40(76-24)55-20(67-21)11-12-85-55/h11-16,67-68H,1-10H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(c[se]1)SC)C(=O)c1c(oc(c1C2=O)C)SC)c1cc(c(o1)c1cc2c(c3c(c(c(o3)c3c(cc(c4c5c(c(s4)c4cc(c(o4)c4cc6c(c7c(c(co7)SC)o6)n4C)C)C(=O)c4c(C5=O)c(oc4C)SC)[se]3)SC)SC)o2)n1C)C	


key: CAN_SMILES
value:
  CSc1c[se]c(c1)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1oc(c(c1)C)c1cc2c(n1C)c1c(o2)c(c(o1)c1[se]c(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1oc(c(c1)C)c1cc2c(n1C)c1c(o2)c(co1)SC)SC	


key: InChI
value:
  InChI=1S/C64H44N2O12S8Se2/c1-21-14-31(77-50(21)26-16-28-44(65(26)5)53-52(74-28)33(81-9)19-71-53)58-39-41(49(70)43-37(47(39)68)24(4)73-64(43)84-12)60(86-58)35-18-32(80-8)62(88-35)56-61(82-10)55-54(78-56)45-29(75-55)17-27(66(45)6)51-22(2)13-30(76-51)57-38-40(59(85-57)34-15-25(79-7)20-87-34)48(69)42-36(46(38)67)23(3)72-63(42)83-11/h13-20H,1-12H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)F)C(=O)c1c(scc1C2=O)C)c1cc(c(s1)c1oc2c(c(c3c(c2C)c(c(o3)c2c(cc(c3c4c(c(o3)c3cc(c(s3)c3oc5c(c(c6c(c5C)c(co6)C)C)c3F)SC)C(=O)c3c(C4=O)c(sc3)C)s2)F)C)C)c1F)SC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1oc2c(c1F)c(C)c1c(c2C)c(C)c(o1)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)csc1C)c1cc(c(s1)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1)SC)c1oc(c2c1C(=O)c1csc(c1C2=O)C)c1scc(c1)F	


key: InChI
value:
  InChI=1S/C66H38F4O10S8/c1-19-15-75-53-23(5)39-47(69)62(77-55(39)20(2)37(19)53)65-36(82-10)14-34(88-65)61-44-46(52(74)42-26(8)84-18-29(42)50(44)72)59(80-61)32-12-30(68)64(86-32)57-22(4)38-21(3)56-40(24(6)54(38)76-57)48(70)63(78-56)66-35(81-9)13-33(87-66)60-43-45(58(79-60)31-11-27(67)16-85-31)51(73)41-25(7)83-17-28(41)49(43)71/h11-18H,1-10H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)F)C(=O)c1c(scc1C2=O)C)c1cc(c(s1)c1oc2c3sc(cc3[nH]c2c1)c1c(cc(c2c3c(c(o2)c2cc(c(s2)c2oc4c5sccc5[nH]c4c2)SC)C(=O)c2c(C3=O)c(sc2)C)s1)F)SC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1cc2c(o1)c1c([nH]2)cc(s1)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)csc1C)c1cc(c(s1)c1cc2c(o1)c1c([nH]2)ccs1)SC)c1oc(c2c1C(=O)c1csc(c1C2=O)C)c1scc(c1)F	


key: InChI
value:
  InChI=1S/C56H26F2N2O8S10/c1-17-36-20(15-72-17)42(61)38-40(44(36)63)48(29-7-19(57)14-74-29)67-50(38)31-12-34(70-4)56(76-31)28-10-25-47(66-28)54-26(60-25)11-35(78-54)52-22(58)8-30(75-52)49-41-39(43(62)21-16-73-18(2)37(21)45(41)64)51(68-49)32-13-33(69-3)55(77-32)27-9-24-46(65-27)53-23(59-24)5-6-71-53/h5-16,59-60H,1-4H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)F)C(=O)c1c(scc1C2=O)C)c1cc(c(s1)c1oc2c3[se]c(cc3[nH]c2c1)c1c(cc(c2c3c(c(o2)c2cc(c(s2)c2oc4c5[se]ccc5[nH]c4c2)SC)C(=O)c2c(C3=O)c(sc2)C)s1)F)SC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1cc2c(o1)c1c([nH]2)cc([se]1)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)csc1C)c1cc(c(s1)c1cc2c(o1)c1c([nH]2)cc[se]1)SC)c1oc(c2c1C(=O)c1csc(c1C2=O)C)c1scc(c1)F	


key: InChI
value:
  InChI=1S/C56H26F2N2O8S8Se2/c1-17-36-20(15-71-17)42(61)38-40(44(36)63)48(29-7-19(57)14-73-29)67-50(38)31-12-34(70-4)54(75-31)28-10-25-47(66-28)56-26(60-25)11-35(78-56)52-22(58)8-30(74-52)49-41-39(43(62)21-16-72-18(2)37(21)45(41)64)51(68-49)32-13-33(69-3)53(76-32)27-9-24-46(65-27)55-23(59-24)5-6-77-55/h5-16,59-60H,1-4H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)SC)C(=O)c1c([se]c(c1C2=O)OC)C)c1cc(c(o1)c1cc(c(c2c(cc(s2)c2c(cc(c3c4c(c(o3)c3cc(c(o3)c3cc(c(c5c(ccs5)SC)o3)OC)F)C(=O)c3c(C4=O)c([se]c3OC)C)s2)SC)SC)o1)OC)F	


key: CAN_SMILES
value:
  CSc1csc(c1)c1oc(c2c1C(=O)c1c(C2=O)c([se]c1C)OC)c1cc(c(o1)c1cc(c(o1)c1sc(cc1SC)c1sc(cc1SC)c1oc(c2c1C(=O)c1c(C2=O)c([se]c1C)OC)c1cc(c(o1)c1oc(c(c1)OC)c1sccc1SC)F)OC)F	


key: InChI
value:
  InChI=1S/C62H40F2O14S8Se2/c1-21-38-44(61(71-5)87-21)48(67)40-42(46(38)65)56(33-13-23(79-7)20-84-33)77-52(40)28-14-25(64)51(73-28)31-17-27(70-4)55(76-31)60-36(82-10)19-37(86-60)58-35(81-9)18-34(85-58)57-43-41(49(68)45-39(47(43)66)22(2)88-62(45)72-6)53(78-57)29-15-24(63)50(74-29)30-16-26(69-3)54(75-30)59-32(80-8)11-12-83-59/h11-20H,1-10H3


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)C1=NCC(=C([C@H]1SC)C)c1oc2c(c(c3c(c2OC)c(c(o3)c2c(c(c(c3cc(c(c4c3nsn4)C3=C([C@@H]([C@@]4(N3C4)c3oc4c(c(c5c(c4OC)c(co5)C)F)c3F)C)SC)C)o2)F)SC)C)F)c1F	


key: CAN_SMILES
value:
  CSC1=C(c2c(C)cc(c3c2nsn3)c2oc(c(c2F)SC)c2oc3c(c2C)c(OC)c2c(c3F)c(F)c(o2)C2=C(C)[C@H](C(=NC2)c2c(C)cc(c3c2nsn3)c2occ(c2F)SC)SC)N2[C@@]([C@H]1C)(C2)c1oc2c(c1F)c(F)c1c(c2OC)c(C)co1	


key: InChI
value:
  InChI=1S/C62H46F6N6O8S6/c1-19-13-25(48-35(63)28(83-9)17-78-48)41-43(72-87-70-41)29(19)45-58(84-10)22(4)27(15-69-45)50-36(64)33-38(66)52-32(54(76-8)55(33)80-50)23(5)47(79-52)57-60(86-12)40(68)49(81-57)26-14-20(2)30(44-42(26)71-88-73-44)46-59(85-11)24(6)62(18-74(46)62)61-39(67)34-37(65)51-31(21(3)16-77-51)53(75-7)56(34)82-61/h13-14,16-17,24,58H,15,18H2,1-12H3/t24-,58+,62+,74-/m0/s1


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)C1=NC[C@H](C(=C1SC)C)c1sc2c(c(c3c(c2c2cc(c(cc2)OC)C)cc(n3C)c2c(c(c(c3cc(c(c4c3nsn4)C3=NC[C@H](C(=C3SC)C)c3sc4c(c(c5c(c4c4cc(c(cc4)OC)C)ccn5C)c4cc(c(c(c4)F)OC)F)c3SC)C)o2)F)SC)c2cc(c(c(c2)F)OC)F)c1SC	


key: CAN_SMILES
value:
  CSc1c(F)c(oc1c1cc2c(n1C)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)sc(c1SC)[C@@H]1CN=C(C(=C1C)SC)c1c(C)cc(c2c1nsn2)c1occ(c1F)SC)c1cc(C)c(c2c1nsn2)C1=NC[C@H](C(=C1SC)C)c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)ccn1C	


key: InChI
value:
  InChI=1S/C92H76F6N8O6S10/c1-37-25-43(19-21-58(37)107-9)63-47-23-24-105(7)77(47)65(45-29-53(93)81(109-11)54(94)30-45)67-88(63)119-86(90(67)116-16)51-34-100-76(85(115-15)41(51)5)62-40(4)28-50(72-74(62)104-122-102-72)80-70(98)92(118-18)83(112-80)57-33-48-64(44-20-22-59(108-10)38(2)26-44)89-68(66(78(48)106(57)8)46-31-55(95)82(110-12)56(96)32-46)91(117-17)87(120-89)52-35-99-75(84(114-14)42(52)6)61-39(3)27-49(71-73(61)103-121-101-71)79-69(97)60(113-13)36-111-79/h19-33,36,51-52H,34-35H2,1-18H3/t51-,52-/m1/s1


key: SMILES
value:
  c1(c2c(c(s1)c1cc(co1)SC)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1ccc(c2cc(c(n2C)c2c(cc(c3c4c(c(s3)c3cc(c(o3)c3ccc(c5cc(cn5C)OC)n3C)F)C(=O)c3c(C4=O)cc(c(c3)C)OC)o2)SC)OC)n1C)F	


key: CAN_SMILES
value:
  CSc1coc(c1)c1sc(c2c1C(=O)c1cc(OC)c(cc1C2=O)C)c1oc(c(c1)F)c1ccc(n1C)c1cc(c(n1C)c1oc(cc1SC)c1sc(c2c1C(=O)c1cc(OC)c(cc1C2=O)C)c1oc(c(c1)F)c1ccc(n1C)c1cc(cn1C)OC)OC	


key: InChI
value:
  InChI=1S/C68H52F2N4O12S4/c1-29-17-33-35(21-45(29)80-8)60(77)53-54(58(33)75)66(89-65(53)48-20-32(87-11)28-83-48)49-23-38(70)63(84-49)42-16-14-40(73(42)5)44-25-47(82-10)57(74(44)6)64-52(88-12)26-51(86-64)68-56-55(59(76)34-18-30(2)46(81-9)22-36(34)61(56)78)67(90-68)50-24-37(69)62(85-50)41-15-13-39(72(41)4)43-19-31(79-7)27-71(43)3/h13-28H,1-12H3


key: SMILES
value:
  c1(c(cc(c2nonc12)c1c(c(cn1C)F)SC)F)c1c(c(c(s1)c1cc2c(c3c(c(c(o3)c3c(c(c(c4cc(c(c5c4non5)c4c(c(c(s4)c4cc5c(c6c(c(co6)F)o5)s4)SC)C)F)n3C)SC)F)F)o2)s1)SC)C	


key: CAN_SMILES
value:
  CSc1c(F)c(n(c1c1cc(F)c(c2c1non2)c1sc(c(c1C)SC)c1cc2c(s1)c1c(o2)c(co1)F)C)c1oc2c(c1F)oc1c2sc(c1)c1sc(c(c1SC)C)c1c(F)cc(c2c1non2)c1n(C)cc(c1SC)F	


key: InChI
value:
  InChI=1S/C52H30F6N6O6S8/c1-15-43(27-19(53)9-17(31-33(27)61-69-59-31)35-47(73-7)21(55)13-63(35)3)78-51(46(15)72-6)26-12-24-49(76-26)42-40(67-24)30(58)39(68-42)37-29(57)52(74-8)36(64(37)4)18-10-20(54)28(34-32(18)60-70-62-34)44-16(2)45(71-5)50(77-44)25-11-23-48(75-25)41-38(66-23)22(56)14-65-41/h9-14H,1-8H3


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


key: CAN_SMILES
value:
  COc1c(F)c(sc1c1c(SC)c(F)c(c2c1non2)c1oc(cc1F)c1cc2c(n1C)c1c(o2)c(co1)SC)c1oc2c(c1SC)oc1c2n(C)c(c1)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F	


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


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1sc2c3[se]c(cc3[GeH2]c2c1)c1c(c(c(c2c(c(c(c3c2non3)c2c(cc(o2)c2sc3c4[se]ccc4[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(s1)c1c([GeH2]2)cc[se]1)c1cc2c([se]1)c1c([GeH2]2)cc(s1)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F	


key: InChI
value:
  InChI=1S/C48H24F6Ge2N4O6S6Se2/c1-61-38-15(51)12-69-45(38)27-34-32(57-65-59-34)25(29(52)43(27)67-3)36-14(50)8-21(64-36)23-10-18-41(71-23)48-19(56-18)11-24(74-48)42-31(54)39(62-2)46(72-42)28-35-33(58-66-60-35)26(30(53)44(28)68-4)37-13(49)7-20(63-37)22-9-17-40(70-22)47-16(55-17)5-6-73-47/h5-12H,55-56H2,1-4H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(co1)SC)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1c(c2c(c3c(c(c(o3)c3c(cc(c4c5c(c(s4)c4cc(c(o4)c4c(c6c(c7c(c(co7)F)o6)s4)SC)F)C(=O)c4c(C5=O)cc(c(c4)C)OC)o3)SC)F)o2)s1)SC)F	


key: CAN_SMILES
value:
  CSc1coc(c1)c1sc(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1oc(c(c1)F)c1sc2c(c1SC)oc1c2oc(c1F)c1oc(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1sc2c(c1SC)oc1c2occ1F)F	


key: InChI
value:
  InChI=1S/C64H34F4O14S8/c1-19-9-22-24(12-29(19)73-3)43(71)36-37(41(22)69)56(87-55(36)31-11-21(83-5)17-75-31)32-14-27(66)47(77-32)64-62(86-8)54-60(90-64)52-50(82-54)40(68)49(81-52)48-35(84-6)16-34(79-48)58-39-38(42(70)23-10-20(2)30(74-4)13-25(23)44(39)72)57(88-58)33-15-26(65)46(78-33)63-61(85-7)53-59(89-63)51-45(80-53)28(67)18-76-51/h9-18H,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)c1c(cc(c2ccc(o2)c2c(cc(c3c4c(c([se]3)c3cc(c(o3)c3c(cc(c5ccco5)s3)C)F)C(=O)c3c(C4=O)cc(c(c3)SC)OC)[se]2)F)s1)C)F	


key: CAN_SMILES
value:
  COc1cc2C(=O)c3c([se]c(c3C(=O)c2cc1SC)c1oc(c(c1)F)c1sc(cc1C)c1ccco1)c1cc(c([se]1)c1ccc(o1)c1sc(c(c1)C)c1oc(cc1F)c1[se]c(c2c1C(=O)c1cc(SC)c(cc1C2=O)OC)c1[se]cc(c1)F)F	


key: InChI
value:
  InChI=1S/C62H34F4O10S4Se4/c1-23-12-42(33-8-7-11-73-33)79-56(23)54-30(64)20-39(76-54)60-47-49(51(68)27-16-37(72-4)41(78-6)18-29(27)53(47)70)62(84-60)45-21-32(66)58(82-45)35-10-9-34(74-35)43-13-24(2)57(80-43)55-31(65)19-38(75-55)59-46-48(61(83-59)44-14-25(63)22-81-44)50(67)26-15-36(71-3)40(77-5)17-28(26)52(46)69/h7-22H,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)c1cc(c(c2c(cc(s2)c2c(cc(c3c4c(c([se]3)c3cc(c(s3)c3cc(c(c5c(ccs5)SC)o3)C)F)C(=O)c3c(C4=O)cc(c(c3)C)OC)[se]2)F)SC)o1)C)F	


key: CAN_SMILES
value:
  CSc1cc(sc1c1oc(cc1C)c1sc(cc1F)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)C)OC)c1[se]cc(c1)F)c1[se]c(cc1F)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1sc(c(c1)F)c1cc(c(o1)c1sccc1SC)C	


key: InChI
value:
  InChI=1S/C64H38F4O8S6Se4/c1-23-11-28-30(16-35(23)73-5)52(71)48-46(50(28)69)61(85-63(48)44-15-27(65)22-83-44)41-18-33(67)57(80-41)38-14-26(4)55(76-38)59-40(78-8)21-43(82-59)60-34(68)20-45(84-60)64-49-47(51(70)29-12-24(2)36(74-6)17-31(29)53(49)72)62(86-64)42-19-32(66)56(81-42)37-13-25(3)54(75-37)58-39(77-7)9-10-79-58/h9-22H,1-8H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)c1cc(c(s1)c1ccc(c2cc(c(n2C)c2c(cc(c3c4c(c(o3)c3cc(c(s3)c3ccc(c5cc(cn5C)SC)s3)OC)C(=O)c3c(C4=O)ccc(c3)OC)o2)F)SC)s1)OC	


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1sc(c(c1)OC)c1ccc(s1)c1cc(cn1C)SC)c1cc(c(o1)c1c(SC)cc(n1C)c1ccc(s1)c1sc(cc1OC)c1oc(c2c1C(=O)c1c(C2=O)ccc(c1)OC)c1occ(c1)F)F	


key: InChI
value:
  InChI=1S/C64H42F2N2O12S6/c1-67-25-30(81-7)20-36(67)42-13-15-44(83-42)63-40(75-5)24-48(86-63)62-52-50(55(70)32-12-10-29(74-4)19-34(32)57(52)72)60(80-62)39-21-35(66)58(78-39)53-46(82-8)22-37(68(53)2)43-14-16-45(84-43)64-41(76-6)23-47(85-64)61-51-49(59(79-61)38-17-27(65)26-77-38)54(69)31-11-9-28(73-3)18-33(31)56(51)71/h9-26H,1-8H3


key: SMILES
value:
  c1(cc(cc2nn(nc12)C)F)c1oc2c(c(c3c(c2)c(c(n3C)c2c(cc(c3c2nn(n3)C)c2oc3c(c(c4c(c3)c(cn4C)F)F)c2F)F)F)F)c1F	


key: CAN_SMILES
value:
  Fc1cc2nn(nc2c(c1)c1oc2c(c1F)c(F)c1c(c2)c(F)c(n1C)c1c(F)cc(c2c1nn(n2)C)c1oc2c(c1F)c(F)c1c(c2)c(F)cn1C)C	


key: InChI
value:
  InChI=1S/C36H18F8N8O2/c1-49-10-17(39)12-8-19-22(25(41)32(12)49)27(43)36(53-19)15-7-16(38)21(31-30(15)47-52(4)48-31)34-24(40)13-9-20-23(26(42)33(13)50(34)2)28(44)35(54-20)14-5-11(37)6-18-29(14)46-51(3)45-18/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)c1[se]c2c3sc(cc3[SiH2]c2c1)c1ccc(c2c3c(c([se]2)c2cc(c([se]2)c2[se]c4c5sccc5[SiH2]c4c2)OC)C(=O)c2c(C3=O)cc(c(c2)OC)F)[se]1)OC	


key: CAN_SMILES
value:
  COc1cc([se]c1c1[se]c2c(c1)[SiH2]c1c2sc(c1)c1ccc([se]1)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)F)OC)c1[se]c(c(c1)OC)c1cc2c([se]1)c1c([SiH2]2)ccs1)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)F)c1ccc[se]1	


key: InChI
value:
  InChI=1S/C60H32F2O8S2Se8Si2/c1-67-27-14-23-21(12-25(27)61)47(63)43-45(49(23)65)57(79-55(43)33-6-5-11-73-33)35-16-30(70-4)54(75-35)38-20-42-60(78-38)52-40(82-42)18-31(72-52)32-7-8-34(74-32)56-44-46(50(66)24-15-28(68-2)26(62)13-22(24)48(44)64)58(80-56)36-17-29(69-3)53(76-36)37-19-41-59(77-37)51-39(81-41)9-10-71-51/h5-20H,81-82H2,1-4H3


key: SMILES
value:
  c1(c(cc(c2nonc12)c1c(c(cn1C)F)SC)F)c1c(c(c(s1)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(c(s3)c2c(c(c(c3cc(c(c4c3non4)c3c(c(c(s3)c3sc4c(c(c5c(c4c4cc(cc(c4)F)SC)c(cs5)C)c4cc(cc(c4)C)OC)c3)SC)C)F)n2C)SC)F)C)c2cc(cc(c2)C)OC)c1)SC)C	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2sc(c(c2c(c2c1cc(s2)c1sc(c(c1SC)C)c1c(F)cc(c2c1non2)c1n(C)cc(c1SC)F)c1cc(F)cc(c1)SC)C)c1c(F)c(c(n1C)c1cc(F)c(c2c1non2)c1sc(c(c1C)SC)c1cc2c(s1)c(c1cc(F)cc(c1)SC)c1c(c2c2cc(C)cc(c2)OC)scc1C)SC	


key: InChI
value:
  InChI=1S/C88H66F6N6O4S12/c1-35-17-41(23-47(19-35)101-9)62-51-31-58(112-81(51)64(60-37(3)34-111-86(60)62)43-21-45(89)27-49(25-43)105-11)84-79(107-13)40(6)77(115-84)67-56(92)30-54(70-72(67)98-104-96-70)74-88(110-16)68(94)75(100(74)8)78-38(4)61-65(44-22-46(90)28-50(26-44)106-12)82-52(63(87(61)116-78)42-18-36(2)20-48(24-42)102-10)32-59(113-82)85-80(108-14)39(5)76(114-85)66-55(91)29-53(69-71(66)97-103-95-69)73-83(109-15)57(93)33-99(73)7/h17-34H,1-16H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cn1C)C)OC)C)c1c(c(c(o1)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(c(s3)c1c(c(c(c2cc(c(c3c2nn(n3)C)c2c(c(c(o2)c2c(c3c(c4c(c(c3n2C)c2ccc(s2)SC)c(cs4)SC)c2cc(c(s2)C)F)C)F)C)C)n1C)OC)C)SC)c1cc(c(s1)C)F)C)F)C	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(sc(c2SC)c2n(C)c(c(c2C)OC)c2cc(C)c(c3c2nn(n3)C)c2oc(c(c2C)F)c2n(C)c3c(c2C)c(c2sc(c(c2)F)C)c2c(c3c3ccc(s3)SC)c(SC)cs2)c(c2c1n(C)c(c2C)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)cc(c1OC)C)c1sc(c(c1)F)C	


key: InChI
value:
  InChI=1S/C86H76F4N10O4S10/c1-33-27-43(73-77(101-17)35(3)31-95(73)11)66-68(93-99(15)91-66)54(33)78-38(6)65(90)82(103-78)71-37(5)57-61(50-30-46(88)42(10)111-50)84-63(59(76(57)97(71)13)48-24-26-53(107-21)113-48)85(108-22)86(114-84)72-40(8)80(102-18)74(98(72)14)44-28-34(2)55(69-67(44)92-100(16)94-69)79-39(7)64(89)81(104-79)70-36(4)56-60(49-29-45(87)41(9)110-49)83-62(51(105-19)32-109-83)58(75(56)96(70)12)47-23-25-52(106-20)112-47/h23-32H,1-22H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)c1cc(c(s1)c1ccc(c2cc(c(n2C)c2c(cc(c3c4c(c(o3)c3cc(c(s3)c3ccc(c5cc(cn5C)OC)n3C)OC)C(=O)c3c(C4=O)ccc(c3)OC)o2)F)OC)n1C)OC	


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1sc(c(c1)OC)c1ccc(n1C)c1cc(cn1C)OC)c1oc(c(c1)F)c1c(OC)cc(n1C)c1ccc(n1C)c1sc(cc1OC)c1oc(c2c1C(=O)c1cc(OC)ccc1C2=O)c1occ(c1)F	


key: InChI
value:
  InChI=1S/C66H48F2N4O14S2/c1-69-27-32(79-7)22-42(69)38-15-17-40(70(38)2)65-47(81-9)26-50(88-65)64-54-52(57(74)34-14-12-31(78-6)21-36(34)59(54)76)62(86-64)46-23-37(68)60(84-46)55-44(80-8)24-43(72(55)4)39-16-18-41(71(39)3)66-48(82-10)25-49(87-66)63-53-51(61(85-63)45-19-29(67)28-83-45)56(73)33-13-11-30(77-5)20-35(33)58(53)75/h11-28H,1-10H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1cc2c(c3c(c(c(o3)c3cc(c(c4c3nc(c(n4)c3cc(ccc3)F)c3cc(c(c(c3)SC)OC)SC)c3cc4c(c5c(c(co5)F)o4)s3)F)F)o2)s1	


key: CAN_SMILES
value:
  CSc1cc(cc(c1OC)SC)c1nc2c(cc(c(c2nc1c1cccc(c1)F)c1sc2c(c1)oc1c2occ1F)F)c1oc2c(c1F)oc1c2sc(c1)c1c(F)ccc2c1nc(c1cccc(c1)F)c(n2)c1cc(SC)c(c(c1)SC)OC	


key: InChI
value:
  InChI=1S/C62H36F6N4O6S6/c1-73-56-40(79-3)17-27(18-41(56)80-4)49-47(25-9-7-11-29(63)15-25)71-52-35(69-49)14-13-32(65)44(52)38-23-37-62(84-38)60-58(77-37)46(68)54(78-60)31-21-33(66)45(39-22-36-61(83-39)59-55(76-36)34(67)24-75-59)53-51(31)70-50(48(72-53)26-10-8-12-30(64)16-26)28-19-42(81-5)57(74-2)43(20-28)82-6/h7-24H,1-6H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(cc1)F)F)c1ccccc1)SC)C)c1cc2c(c3c(c(c(o3)c3c(c(c(c4c3nc(c(n4)c3ccccc3)c3cc(c(cc3)F)F)c3cc4c(c5c(c(co5)F)o4)s3)C)SC)F)o2)s1	


key: CAN_SMILES
value:
  CSc1c(c2oc3c(c2F)oc2c3sc(c2)c2c(C)c(SC)cc3c2nc(c2ccccc2)c(n3)c2ccc(c(c2)F)F)c2nc(c3ccc(c(c3)F)F)c(nc2c(c1C)c1sc2c(c1)oc1c2occ1F)c1ccccc1	


key: InChI
value:
  InChI=1S/C60H32F6N4O4S4/c1-25-39(75-3)21-36-50(68-46(27-11-7-5-8-12-27)48(67-36)29-15-17-31(61)33(63)19-29)42(25)40-23-38-60(78-40)57-55(73-38)45(66)54(74-57)44-52-51(69-47(28-13-9-6-10-14-28)49(70-52)30-16-18-32(62)34(64)20-30)43(26(2)58(44)76-4)41-22-37-59(77-41)56-53(72-37)35(65)24-71-56/h5-24H,1-4H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(cc1)F)F)c1ccccc1)SC)C)c1oc2c3[se]c(cc3[SiH2]c2c1)c1c(c(c(c2c1nc(c(n2)c1ccccc1)c1cc(c(cc1)F)F)c1oc2c3[se]ccc3[SiH2]c2c1)C)SC	


key: CAN_SMILES
value:
  CSc1cc2nc(c3ccc(c(c3)F)F)c(nc2c(c1C)c1oc2c(c1)[SiH2]c1c2[se]c(c1)c1c(SC)c(C)c(c2c1nc(c1ccc(c(c1)F)F)c(n2)c1ccccc1)c1oc2c(c1)[SiH2]c1c2[se]cc1)c1ccccc1	


key: InChI
value:
  InChI=1S/C60H38F4N4O2S2Se2Si2/c1-27-40(71-3)23-37-53(66-49(29-11-7-5-8-12-29)51(65-37)31-15-17-33(61)35(63)21-31)46(27)38-24-44-57(70-38)60-45(76-44)26-41(74-60)48-55-54(47(28(2)58(48)72-4)39-25-43-56(69-39)59-42(75-43)19-20-73-59)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: InChI
value:
  InChI=1S/C32H27F2N3O3S3/c1-12-9-17(30-22(33)18(41-7)11-39-30)24-25(36-43-35-24)20(12)27-32(42-8)16(5)26(37(27)6)31-23(34)21-15(4)28-19(13(2)10-38-28)14(3)29(21)40-31/h9-11H,1-8H3


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)F)s2)F)F)SC)F)s1)F	


key: CAN_SMILES
value:
  COc1cccc(c1)c1nc2c(c3sc4c(c3F)sc(c4F)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)c1sc2c(c1F)scc2F)F	


key: InChI
value:
  InChI=1S/C60H38F8N4O4S8/c1-73-27-13-9-11-23(15-27)46-48(25-17-31(75-3)39(62)33(19-25)77-5)70-50-30(69-46)21-35(79-7)41(64)36(50)55-44(67)59-60(83-55)45(68)57(84-59)38-52-51(37(42(65)54(38)80-8)56-43(66)58-53(82-56)29(61)22-81-58)72-49(26-18-32(76-4)40(63)34(20-26)78-6)47(71-52)24-12-10-14-28(16-24)74-2/h9-22H,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(cc(c2c(ccn2C)SC)o1)OC)F	


key: InChI
value:
  InChI=1S/C52H45F3N4O7S4/c1-22-21-68-52-48(65-11)51(70-49(22)52)37-42-41(56-40(26-17-30(60-6)24(3)31(18-26)61-7)39(57-42)25-15-27(53)23(2)28(54)16-25)36(46(63-9)47(37)64-10)35-19-29-50(69-35)38(55)44(59(29)5)45-33(62-8)20-32(66-45)43-34(67-12)13-14-58(43)4/h13-21H,1-12H3


key: CAN_SMILES
value:
  COc1c(OC)c(c2c(c1c1cc3c(s1)c(c(n3C)c1oc(cc1OC)c1n(C)ccc1SC)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(cc2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1ccc(c(c1)SC)OC)SC)OC)c1sc2c(c(c3c(c2c2ccc(s2)F)c(c(s3)c2c(c(c(c3c2nc(c(n3)c2ccc(c(c2)SC)OC)c2cc(c(c(c2)F)SC)F)c2sc3c(c(c4c(c3c3ccc(s3)F)c(cs4)SC)c3cc(c(s3)OC)C)c2)OC)SC)SC)c2cc(c(s2)OC)C)c1	


key: CAN_SMILES
value:
  COc1sc(cc1C)c1c2sc(c(c2c(c2c1cc(s2)c1c(OC)c(SC)cc2c1nc(c1ccc(c(c1)SC)OC)c(n2)c1cc(F)c(c(c1)F)SC)c1ccc(s1)F)SC)c1c(SC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1ccc(c(c1)SC)OC)c1cc2c(s1)c(c1ccc(s1)F)c1c(c2c2cc(c(s2)OC)C)scc1SC	


key: InChI
value:
  InChI=1S/C92H68F6N4O6S16/c1-37-25-56(122-91(37)107-7)64-43-33-59(121-82(43)66(52-21-23-62(97)118-52)68-61(112-12)36-117-86(64)68)70-78-79(102-76(42-29-47(95)85(114-14)48(96)30-42)74(101-78)40-18-20-51(104-4)55(32-40)110-10)72(88(115-15)81(70)106-6)90-89(116-16)71-67(53-22-24-63(98)119-53)83-44(65(87(71)124-90)57-26-38(2)92(108-8)123-57)34-58(120-83)69-77-49(35-60(111-11)80(69)105-5)99-75(41-27-45(93)84(113-13)46(94)28-41)73(100-77)39-17-19-50(103-3)54(31-39)109-9/h17-36H,1-16H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1[se]c2c3oc(cc3[SiH2]c2c1)c1c(c(c(c2c(c(c(c3c2nc(c(n3)c2ccc(c(c2)SC)F)c2ccc(cc2)SC)c2c(c(c(n2C)c2[se]c3c4occc4[SiH2]c3c2)OC)F)F)SC)o1)F)SC)OC)F	


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3oc(c(c3F)SC)c3oc4c(c3)[SiH2]c3c4[se]c(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)c1[se]c2c(c1)[SiH2]c1c2occ1)OC)F	


key: InChI
value:
  InChI=1S/C84H60F8N6O6S8Se2Si2/c1-97-69(45-30-49-83(113-45)74-47(115-49)25-26-101-74)78(99-3)59(91)72(97)52-57(89)81(111-11)54(68-66(52)96-64(36-18-24-40(86)43(28-36)108-8)62(94-68)34-15-21-38(106-6)22-16-34)77-60(92)82(112-12)73(104-77)41-29-48-75(103-41)84-50(116-48)31-46(114-84)70-79(100-4)58(90)71(98(70)2)51-56(88)80(110-10)53(76-55(87)44(109-9)32-102-76)67-65(51)95-63(35-17-23-39(85)42(27-35)107-7)61(93-67)33-13-19-37(105-5)20-14-33/h13-32H,115-116H2,1-12H3


key: InChI
value:
  InChI=1S/C36H30F2N2O6S/c1-15-9-19(10-16(2)17(15)3)26-28-25(42-6)14-44-33(28)27(20-11-21(37)18(4)22(38)12-20)29-34(26)45-35(36(29)47-8)30-31-23(39-46-40-31)13-24(41-5)32(30)43-7/h9-14H,1-8H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)F)SC)SC)SC)c1c(c2c(c(c(n2C)c2c(c(c(c3c2nc(c(n3)SC)F)c2c(c3c(c(cn3C)C)s2)SC)SC)SC)C)s1)SC	


key: CAN_SMILES
value:
  CSc1nc2c(nc1F)c(c(c(c2c1sc2c(c1SC)n(cc2C)C)SC)SC)c1c(C)c2c(n1C)c(c(s2)c1c(SC)c(SC)cc2c1nc(SC)c(n2)F)SC	


key: InChI
value:
  InChI=1S/C40H38F2N6S10/c1-15-14-47(3)26-28(15)57-34(35(26)53-9)21-24-23(44-38(42)40(46-24)56-12)19(31(51-7)32(21)52-8)25-16(2)29-27(48(25)4)36(54-10)33(58-29)20-22-17(13-18(49-5)30(20)50-6)43-37(41)39(45-22)55-11/h13-14H,1-12H3


key: InChI
value:
  InChI=1S/C36H30F2N6O2S2/c1-15-14-47-35-28(15)43(5)31(32(35)45-7)24-21(38)11-19(25-27(24)40-13-17(3)42-25)34-18(4)29-36(48-34)33(46-8)30(44(29)6)23-20(37)9-10-22-26(23)39-12-16(2)41-22/h9-14H,1-8H3


key: InChI
value:
  InChI=1S/C32H24F2N4O4S3/c1-13-22(25-26(36-45-35-25)23(24(13)34)28-14(2)31-29(42-28)16(33)12-43-31)27-30(40-6)32-18(38(27)4)10-21(44-32)20-8-7-19(41-20)17-9-15(39-5)11-37(17)3/h7-12H,1-6H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)c1cc(c(s1)c1oc2c3sc(cc3[nH]c2c1)c1c(cc(c2c3c(c(o2)c2cc(c(s2)c2oc4c5sccc5[nH]c4c2)OC)C(=O)c2c(C3=O)ccc(c2)OC)o1)F)OC	


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1sc(c(c1)OC)c1cc2c(o1)c1c([nH]2)ccs1)c1oc(c(c1)F)c1cc2c(s1)c1c([nH]2)cc(o1)c1sc(cc1OC)c1oc(c2c1C(=O)c1c(C2=O)ccc(c1)OC)c1occ(c1)F	


key: InChI
value:
  InChI=1S/C60H30F2N2O14S4/c1-69-22-5-7-24-26(12-22)48(67)44-42(46(24)65)53(33-11-21(61)20-73-33)77-55(44)40-18-36(72-4)60(81-40)38-16-31-52(76-38)58-32(64-31)17-39(80-58)50-28(62)14-34(74-50)54-43-45(49(68)27-13-23(70-2)6-8-25(27)47(43)66)56(78-54)41-19-35(71-3)59(82-41)37-15-30-51(75-37)57-29(63-30)9-10-79-57/h5-20,63-64H,1-4H3


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]c2c3oc(cc3[SiH2]c2c1)c1c(c(c(c2c1nc(c(n2)c1ccc(c(c1)SC)OC)c1cc(c(c(c1)F)SC)F)c1[se]c2c3occc3[SiH2]c2c1)OC)SC	


key: CAN_SMILES
value:
  CSc1cc2nc(c3cc(F)c(c(c3)F)SC)c(nc2c(c1OC)c1cc2c([se]1)c1c([SiH2]2)cc(o1)c1c(SC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1ccc(c(c1)SC)OC)c1[se]c2c(c1)[SiH2]c1c2occ1)c1ccc(c(c1)SC)OC	


key: InChI
value:
  InChI=1S/C66H50F4N4O6S6Se2Si2/c1-75-36-13-11-27(21-39(36)81-5)51-53(29-17-31(67)62(84-8)32(68)18-29)71-35-23-41(83-7)58(77-3)49(55(35)72-51)42-25-47-66(88-42)60-45(90-47)24-38(80-60)48-56-57(50(61(78-4)64(48)86-10)43-26-46-65(87-43)59-44(89-46)15-16-79-59)73-52(28-12-14-37(76-2)40(22-28)82-6)54(74-56)30-19-33(69)63(85-9)34(70)20-30/h11-26H,89-90H2,1-10H3


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)c2sc3c(c(c4c(c3c3cc(c(cc3)OC)C)ccn4C)c3cc(c(c(c3)F)OC)F)c2SC)F)n1C)F	


key: CAN_SMILES
value:
  COc1ccc(cc1C)c1c2sc(c(c2c(c2c1ccn2C)c1cc(F)c(c(c1)F)OC)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/C65H46F8N4O4S7/c1-25-16-29(19-31(66)17-25)48-49(30-22-37(79-6)44(70)38(23-30)82-9)75-51-43(59-47(73)63-57(86-59)35(69)24-85-63)60(83-10)56(81-8)42(50(51)74-48)53-45(71)62-54(77(53)4)46(72)64(88-62)65-61(84-11)41-40(28-20-33(67)55(80-7)34(68)21-28)52-32(14-15-76(52)3)39(58(41)87-65)27-12-13-36(78-5)26(2)18-27/h12-24H,1-11H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(c(c1)F)SC)F)c1ccc(c(c1)SC)OC)SC)OC)c1ccc(c2cc(c(n2C)c2c(c(c(c3c2nc(c(n3)c2ccc(c(c2)SC)OC)c2cc(c(c(c2)F)SC)F)c2ccc(c3cc(cn3C)SC)s2)OC)SC)SC)s1	


key: CAN_SMILES
value:
  CSc1cn(c(c1)c1ccc(s1)c1c(OC)c(SC)c(c2c1nc(c1ccc(c(c1)SC)OC)c(n2)c1cc(F)c(c(c1)F)SC)c1c(SC)cc(n1C)c1ccc(s1)c1c(OC)c(SC)cc2c1nc(c1ccc(c(c1)SC)OC)c(n2)c1cc(F)c(c(c1)F)SC)C	


key: InChI
value:
  InChI=1S/C70H60F4N6O4S10/c1-79-32-37(85-7)29-43(79)47-19-21-50(93-47)56-63-64(78-61(36-25-40(73)69(91-13)41(74)26-36)59(77-63)34-16-18-46(82-4)52(28-34)87-9)57(70(92-14)67(56)84-6)65-53(88-10)31-44(80(65)2)48-20-22-49(94-48)55-62-42(30-54(89-11)66(55)83-5)75-60(35-23-38(71)68(90-12)39(72)24-35)58(76-62)33-15-17-45(81-3)51(27-33)86-8/h15-32H,1-14H3


key: InChI
value:
  InChI=1S/C38H30F2N6S4/c1-19-16-41-36-25(43-19)8-7-23(39)33(36)30-12-10-29(50-30)27-15-32(48-6)38(46(27)4)22-14-24(40)34(37-35(22)44-20(2)17-42-37)31-11-9-28(49-31)26-13-21(47-5)18-45(26)3/h7-18H,1-6H3


key: SMILES
value:
  c1(c(c(cc2c1ncc(n2)SC)OC)F)c1[se]c2c3oc(cc3[SiH2]c2c1)c1c(c(c(c2c1nc(cn2)SC)c1[se]c2c3occc3[SiH2]c2c1)F)OC	


key: CAN_SMILES
value:
  COc1c(c2cc3c(o2)c2c([SiH2]3)cc([se]2)c2c(F)c(OC)cc3c2ncc(n3)SC)c2nc(SC)cnc2c(c1F)c1cc2c([se]1)c1c([SiH2]2)cco1	


key: InChI
value:
  InChI=1S/C36H24F2N4O4S2Se2Si2/c1-43-15-7-13-29(39-11-22(41-13)47-3)25(27(15)37)16-9-21-36(50-16)33-19(52-21)8-14(46-33)24-31-30(40-12-23(42-31)48-4)26(28(38)34(24)44-2)17-10-20-35(49-17)32-18(51-20)5-6-45-32/h5-12H,51-52H2,1-4H3


key: InChI
value:
  InChI=1S/C18H13FGeN2OS3/c1-24-17-18(25-2)22-14-9(5-8(19)6-12(14)21-17)13-7-11-15(23-13)16-10(20-11)3-4-26-16/h3-7H,20H2,1-2H3


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


key: CAN_SMILES
value:
  CSc1cc(sc1c1oc(cc1OC)c1c(OC)ccc2c1nc(SC)c(n2)OC)c1cc(OC)c(c2c1nc(OC)c(n2)SC)c1oc(c(c1)OC)c1sccc1SC	


key: InChI
value:
  InChI=1S/C42H38N4O8S6/c1-47-21-12-11-20-33(45-41(57-9)39(43-20)51-5)30(21)23-16-26(50-4)36(54-23)38-29(56-8)18-28(60-38)19-15-22(48-2)31(34-32(19)44-40(52-6)42(46-34)58-10)24-17-25(49-3)35(53-24)37-27(55-7)13-14-59-37/h11-18H,1-10H3


key: SMILES
value:
  c1(cc(cc2c1nc(c(n2)SC)SC)F)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(c(s3)c1c(cc(c2c1nc(c(n2)SC)SC)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)F)SC)c1cc(c(s1)C)F)C	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)c(sc2c(c2c1n(C)c(c2C)c1cc(F)cc2c1nc(SC)c(n2)SC)c1cc(c(s1)C)F)c1c(F)cc(c2c1nc(SC)c(n2)SC)c1c(C)c2c(n1C)c(c1ccc(s1)SC)c1c(c2c2cc(c(s2)C)F)scc1SC	


key: InChI
value:
  InChI=1S/C66H52F4N6S14/c1-25-43-48(38-22-32(68)27(3)86-38)59-50(40(77-7)24-85-59)46(36-15-17-41(78-8)88-36)57(43)76(6)56(25)31-21-34(70)45(54-53(31)73-65(83-13)66(74-54)84-14)62-61(80-10)51-47(37-16-18-42(79-9)89-37)58-44(49(60(51)90-62)39-23-33(69)28(4)87-39)26(2)55(75(58)5)30-19-29(67)20-35-52(30)72-64(82-12)63(71-35)81-11/h15-24H,1-14H3


key: SMILES
value:
  c1(c(c(cc2c1ncc(n2)SC)OC)F)c1sc2c(c(c3c(c2OC)c(c(n3C)c2c(c(c(c3c2nc(cn3)SC)c2sc3c(c(c4c(c3OC)c(cn4C)C)OC)c2C)F)OC)C)OC)c1C	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cn1C)F)OC)c1n(C)c2c(c1C)c(OC)c1c(c2OC)c(C)c(s1)c1c(F)c(OC)cc2c1ncc(n2)SC	


key: InChI
value:
  InChI=1S/C50H46F2N6O6S4/c1-19-18-57(5)40-27(19)45(63-11)49-29(43(40)61-9)21(3)48(68-49)32-35(52)42(60-8)33(38-37(32)54-17-26(56-38)66-14)39-20(2)28-41(58(39)6)44(62-10)30-22(4)47(67-50(30)46(28)64-12)31-34(51)24(59-7)15-23-36(31)53-16-25(55-23)65-13/h15-18H,1-14H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(c(cn2C)SC)n1C)SC)C)F)c1c(c2c(s1)c(c(o2)c1c(cc(c2c(ccn2C)SC)o1)OC)C)SC	


key: InChI
value:
  InChI=1S/C37H37FN6O3S5/c1-16-22(29-36(50-10)30-28(43(29)5)21(49-9)15-42(30)4)25-26(40-44(6)39-25)23(24(16)38)35-37(51-11)33-34(52-35)17(2)31(47-33)32-19(45-7)14-18(46-32)27-20(48-8)12-13-41(27)3/h12-15H,1-11H3


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(n2C)c2c(c(c(c3c(c(c(c4c3nc(c(n4)C)F)c3c(c(c(n3C)c3cc(c(c4c(ccn4C)F)s3)SC)OC)C)C)SC)s2)F)SC)F)s1)SC)OC)C	


key: CAN_SMILES
value:
  CSc1cc(sc1c1c(F)cc(n1C)c1sc(c(c1SC)F)c1c(SC)c(C)c(c2c1nc(F)c(n2)C)c1c(C)c(c(n1C)c1sc(c(c1)SC)c1c(F)ccn1C)OC)c1c(OC)c(c(n1C)c1c(C)c(SC)c(c2c1nc(C)c(n2)F)c1scc(c1F)SC)C	


key: InChI
value:
  InChI=1S/C66H60F6N8O2S10/c1-25-39(45-47(75-65(71)29(5)73-45)41(57(25)86-16)62-43(69)38(85-15)24-89-62)49-27(3)56(82-12)54(80(49)10)35-23-37(84-14)61(91-35)52-32(68)21-33(78(52)8)59-64(88-18)44(70)63(92-59)42-48-46(74-30(6)66(72)76-48)40(26(2)58(42)87-17)50-28(4)55(81-11)53(79(50)9)34-22-36(83-13)60(90-34)51-31(67)19-20-77(51)7/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)c1oc2c(c(c3c(c2C)c(c(o3)c2c(c(c(c3c(c(c(c4c3nc(c(n4)F)C)c3c(c(c(n3C)c3oc4c(c(c5c(c4C)c(co5)C)C)c3F)F)F)SC)SC)s2)OC)F)C)C)c1F)F)F	


key: CAN_SMILES
value:
  COc1c(F)c(sc1c1c(SC)c(SC)c(c2c1nc(C)c(n2)F)c1c(F)c(c(n1C)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1)F)c1oc2c(c1C)c(C)c1c(c2C)c(F)c(o1)c1c(F)c(c(n1C)c1c(SC)c(SC)c(c2c1nc(F)c(n2)C)c1scc(c1OC)F)F	


key: InChI
value:
  InChI=1S/C68H50F10N6O6S6/c1-19-17-87-51-23(5)30-36(70)57(89-53(30)20(2)28(19)51)49-40(74)39(73)48(84(49)10)33-44-46(80-26(8)68(78)82-44)35(65(94-16)63(33)92-14)61-59(86-12)42(76)66(96-61)55-22(4)29-21(3)54-31(24(6)52(29)88-55)37(71)58(90-54)50-41(75)38(72)47(83(50)9)32-43-45(79-25(7)67(77)81-43)34(64(93-15)62(32)91-13)60-56(85-11)27(69)18-95-60/h17-18H,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)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)ccs3)c2cc(c(F)n2C)OC)c1OC)SC)OC	


key: Name
value:
  A8-CH3_OCH3_SCH3_F_OCH3_F_F_OCH3_SCH3_OCH3_SCH3_OCH3-NCH3_S_S_NCH3-D9-CH3_SCH3_OCH3_F_OCH3_H-O_O_NCH3_S-p1


key: InChI
value:
  InChI=1S/C66H57F4N5O9S7/c1-26-19-28(22-38(86-14)52(26)77-7)44-45(29-20-31(67)53(78-8)32(68)21-29)72-47-43(56(80-10)61(87-15)42(46(47)71-44)49-58(81-11)63-48(74(49)4)33(69)25-90-63)62-59(82-12)51-65(91-62)64(88-16)50(75(51)5)57-55(79-9)41-40(34-23-36(76-6)66(70)73(34)3)60-30(17-18-89-60)39(54(41)84-57)35-24-37(85-13)27(2)83-35/h17-25H,1-16H3


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(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)ccs1)C)OC)SC)c1c(OC)c2c(n1C)c(cs2)F	


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)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)o3)OC)OC)F)F)SC)o2)F)SC)SC)o1)OC)OC)F	


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3oc(c(c3F)SC)c3cc(c(n3C)c3oc(c(c3)OC)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)c1oc(cc1OC)c1c(SC)ccn1C)OC)F	


key: InChI
value:
  InChI=1S/C90H74F8N8O8S10/c1-103-32-31-52(117-11)75(103)48-36-50(107-5)82(112-48)79-86(109-7)65(97)78(105(79)3)58-63(95)89(123-17)60(74-72(58)102-70(42-24-30-46(92)54(34-42)119-13)68(100-74)40-21-27-44(116-10)28-22-40)85-66(98)90(124-18)81(114-85)47-35-55(120-14)76(104(47)2)49-37-51(108-6)83(113-49)80-87(110-8)64(96)77(106(80)4)57-62(94)88(122-16)59(84-61(93)56(121-15)38-111-84)73-71(57)101-69(41-23-29-45(91)53(33-41)118-12)67(99-73)39-19-25-43(115-9)26-20-39/h19-38H,1-18H3


key: SMILES
value:
  c1(cc(c(c2nn(nc12)C)c1c(c2c(c(cn2C)OC)n1C)SC)F)c1c(c2c(o1)c(c(n2C)c1sc2c(c(c3c(c2OC)c(c(n3C)c2c(c3c(c(c(c4c(cc(c5c4nn(n5)C)c4c(c5c(o4)c(c(n5C)c4sc5c(c(c6c(c5OC)c(cn6C)C)OC)c4C)F)SC)F)n3C)SC)n2C)OC)C)OC)c1C)F)SC	


key: CAN_SMILES
value:
  COc1c2c(sc(c2C)c2n(C)c3c(c2F)oc(c3SC)c2cc(F)c(c3c2nn(n3)C)c2c(SC)c3c(n2C)c(cn3C)OC)c(c2c1n(C)c(c2C)c1c(OC)c2c(n1C)c(c(n2C)c1c(F)cc(c2c1nn(n2)C)c1oc2c(c1SC)n(c(c2F)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cn1C)C)SC)OC	


key: InChI
value:
  InChI=1S/C80H76F4N14O8S6/c1-29-27-89(5)52-38(29)68(102-18)75-40(66(52)100-16)31(3)73(111-75)56-44(83)70-62(94(56)10)79(109-23)65(106-70)34-26-36(82)43(49-47(34)86-98(14)88-49)55-78(108-22)61-59(93(55)9)72(104-20)58(96(61)12)50-30(2)39-53(91(50)7)67(101-17)41-32(4)74(112-76(41)69(39)103-19)57-45(84)71-63(95(57)11)80(110-24)64(105-71)33-25-35(81)42(48-46(33)85-97(13)87-48)54-77(107-21)60-51(92(54)8)37(99-15)28-90(60)6/h25-28H,1-24H3


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]c2c3sc(cc3[SiH2]c2c1)c1c(c2c(c(c(c3c(c(c(c4c3nn(n4)C)c3c(c4c(s3)c(c(o4)c3[se]c4c5sccc5[SiH2]c4c3)C)SC)F)C)n2C)SC)n1C)SC)C)SC	


key: CAN_SMILES
value:
  CSc1c(c2cc3c(s2)c2c([SiH2]3)cc([se]2)c2oc3c(c2C)sc(c3SC)c2c(F)c(C)c(c3c2nn(n3)C)c2c(SC)c3c(n2C)c(cn3C)SC)n(c2c1n(C)c(c2SC)c1c(C)c(F)c(c2c1nn(n2)C)c1sc2c(c1SC)oc(c2C)c1cc2c([se]1)c1c([SiH2]2)ccs1)C	


key: InChI
value:
  InChI=1S/C68H58F2N10O2S10Se2Si2/c1-23-35(47-63(85-13)49-45(76(47)6)28(83-11)22-75(49)5)41-43(73-79(9)71-41)37(39(23)69)60-66(88-16)55-57(92-60)26(4)53(82-55)30-21-34-68(94-30)59-32(96-34)19-27(90-59)46-62(84-12)50-51(77(46)7)64(86-14)48(78(50)8)36-24(2)40(70)38(44-42(36)72-80(10)74-44)61-65(87-15)54-56(91-61)25(3)52(81-54)29-20-33-67(93-29)58-31(95-33)17-18-89-58/h17-22H,95-96H2,1-16H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F)OC)F	


key: InChI
value:
  InChI=1S/C59H50F5N5O3S7/c1-25-20-34(79-27(25)3)39-40-44(62)53(68(5)51(40)38(37-26(2)23-71-55(37)39)32-22-35(75-10)59(78-13)67(32)4)54-57(70-7)46(64)52(69(54)6)41-45(63)58(77-12)42(56-43(61)36(76-11)24-72-56)50-49(41)66-48(29-16-19-31(60)33(21-29)74-9)47(65-50)28-14-17-30(73-8)18-15-28/h14-24H,1-13H3


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3occ(c3F)SC)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1n(C)c(c(c1F)OC)c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)occ1C)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)c1c(cc(c2c(ccs2)C)s1)OC)F	


key: InChI
value:
  InChI=1S/C51H44F2N4O2S6/c1-23-16-24(2)18-29(17-23)41-40(28-13-12-25(3)31(19-28)58-8)54-42-36(45-38(52)51-44(57(45)7)35(60-10)22-63-51)27(5)48(61-11)37(43(42)55-41)33-20-30-49(64-33)39(53)46(56(30)6)50-32(59-9)21-34(65-50)47-26(4)14-15-62-47/h12-22H,1-11H3


key: CAN_SMILES
value:
  CSc1c(c2cc3c(s2)c(c(n3C)c2sc(cc2OC)c2sccc2C)F)c2nc(c3cc(C)cc(c3)C)c(nc2c(c1C)c1n(C)c2c(c1F)scc2SC)c1ccc(c(c1)OC)C	


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(c2ccco2)s1)C)OC)F	


key: InChI
value:
  InChI=1S/C43H33F4N3O3S5/c1-20-17-27(25-9-8-16-52-25)58-42(20)39-41(51-3)33(47)38(50(39)2)29-32(46)43(57-7)30(40-31(45)28(56-6)19-53-40)37-36(29)49-35(22-12-15-24(44)26(18-22)55-5)34(48-37)21-10-13-23(54-4)14-11-21/h8-19H,1-7H3


key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3occ(c3F)SC)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)c1sc(cc1C)c1ccco1)OC)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)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(cs3)OC)c2ccc(cc2)C)c1C)F	


key: InChI
value:
  InChI=1S/C67H54F4N4O3S5/c1-29-14-17-36(18-15-29)49-46-34(6)62(78-63(46)48(50-43(77-11)27-81-66(49)50)38-23-33(5)52(69)40(68)24-38)61-54(71)65-41(74(61)8)26-44(83-65)51-58-57(47(35(7)64(51)80-13)60-53(70)67-59(75(60)9)45(79-12)28-82-67)72-55(37-19-16-32(4)42(25-37)76-10)56(73-58)39-21-30(2)20-31(3)22-39/h14-28H,1-13H3


key: CAN_SMILES
value:
  COc1cc(ccc1C)c1nc2c(nc1c1cc(C)cc(c1)C)c(c1sc3c(c1)n(c(c3F)c1oc3c(c1C)c(c1ccc(cc1)C)c1c(c3c3cc(C)c(c(c3)F)F)c(OC)cs1)C)c(c(c2c1c(F)c2c(n1C)c(cs2)SC)C)SC	


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


key: InChI
value:
  InChI=1S/C67H55F3N4O2S7/c1-30-16-31(2)19-39(18-30)57-56(36-15-14-33(4)45(24-36)76-10)71-58-50(62-55(70)67-61(74(62)8)48(78-12)29-81-67)35(6)63(79-13)53(59(58)72-57)46-27-44-65(82-46)54(69)60(73(44)7)47-26-43-51(37-17-32(3)20-41(22-37)75-9)66-49(34(5)28-80-66)52(64(43)83-47)38-21-40(68)25-42(23-38)77-11/h14-29H,1-13H3


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)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: 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(c2c2cc(c(cc2)OC)C)ccn3C)c2cc(c(c(c2)F)OC)F)c1SC)C)C	


key: InChI
value:
  InChI=1S/C64H57F4N5O4S4/c1-30-21-34(15-18-47(30)74-8)49-40-19-20-71(5)58(40)50(35-23-42(65)60(77-11)43(66)24-35)51-62(49)81-64(63(51)80-14)57-33(4)32(3)56(73(57)7)41-17-16-39(46-28-38(78-12)29-72(46)6)54-55(41)70-52(36-22-31(2)59(76-10)48(27-36)75-9)53(69-54)37-25-44(67)61(79-13)45(68)26-37/h15-29H,1-14H3


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


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(c(o3)c1c(c2c(c(c(c3c(c(c(c4c3nsn4)c3c(c4c(o3)c(c(n4C)c3c(c4c(c5c(c(c4n3C)c3cc(c(SC)n3C)SC)c(co5)C)c3cc(c(s3)C)C)F)C)C)SC)C)o2)OC)o1)F)C)c1cc(c(s1)C)C)F)C)C	


key: CAN_SMILES
value:
  CSc1c(SC)cc(n1C)c1c2c(C)c(oc2c(c2c1n(C)c(c2F)c1c(C)c2c(n1C)c(c(o2)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)C)c1cc(c(s1)C)C)c1oc2c(c1F)oc(c2OC)c1c(C)c(SC)c(c2c1nsn2)c1oc2c(c1C)n(c(c2C)c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)occ1C)C	


key: InChI
value:
  InChI=1S/C98H84F4N10O10S10/c1-33-27-48(129-43(33)11)58-60-64(100)77(111(17)75(60)56(52-35(3)31-115-85(52)58)46-29-50(123-21)97(127-25)107(46)13)71-39(7)81-73(109(71)15)41(9)80(118-81)63-70-68(104-132-106-70)55(38(6)96(63)126-24)88-92(114-20)94-90(121-88)66(102)89(122-94)83-36(4)53-57(47-30-51(124-22)98(128-26)108(47)14)76-61(59(86(53)119-83)49-28-34(2)44(12)130-49)65(101)78(112(76)18)72-40(8)82-74(110(72)16)42(10)79(117-82)62-69-67(103-131-105-69)54(37(5)95(62)125-23)87-91(113-19)93-84(120-87)45(99)32-116-93/h27-32H,1-26H3


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(c2c(cc(s2)c2c(c3c(c(c(c4c(c(c(c5c4nc(cn5)SC)c4cc5c(s4)c(c(n5C)c4c(cc(c5c(ccs5)C)s4)OC)C)OC)C)n3C)C)o2)OC)C)s1)OC)C	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1cc2c(s1)c(c(n2C)c1sc(cc1OC)c1sccc1C)C)OC)C)c1n(C)c2c(c1C)oc(c2OC)c1sc(c(c1)C)c1cc(c(s1)c1n(C)c2c(c1C)sc(c2)c1c(OC)c(C)c(c2c1ncc(n2)SC)c1n(C)c2c(c1C)occ2OC)OC	


key: InChI
value:
  InChI=1S/C76H70N8O8S8/c1-31-21-22-95-71(31)47-26-41(85-13)75(99-47)61-37(7)73-39(81(61)9)24-45(96-73)54-56-58(80-50(94-20)29-78-56)52(34(4)66(54)89-17)60-36(6)68-64(84(60)12)70(90-18)69(92-68)46-23-32(2)72(98-46)48-27-42(86-14)76(100-48)62-38(8)74-40(82(62)10)25-44(97-74)53-55-57(79-49(93-19)28-77-55)51(33(3)65(53)88-16)59-35(5)67-63(83(59)11)43(87-15)30-91-67/h21-30H,1-20H3


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]c3c4sc(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]c6c7sccc7[SiH2]c6c5)F)n4C)F)OC)SC)s3)F)s2)F)F)n1C)F	


key: CAN_SMILES
value:
  COc1cc(cc(c1F)SC)c1nc2c(c3sc4c(c3F)sc(c4F)c3sc4c(c3)[SiH2]c3c4[se]c(c3)c3sc4c(c3F)n(c(c4F)c3c(OC)c(SC)c(c4c3nc(c3cc(C)cc(c3)F)c(n4)c3cc(OC)c(c(c3)SC)F)c3sc4c(c3F)scc4F)C)c(SC)c(c(c2nc1c1cc(C)cc(c1)F)c1c(F)c2c(n1C)c(c(s2)c1[se]c2c(c1)[SiH2]c1c2scc1)F)OC	


key: InChI
value:
  InChI=1S/C92H56F12N6O4S12Se2Si2/c1-29-15-31(19-35(93)17-29)62-64(33-21-38(111-5)53(96)40(23-33)115-9)107-68-51(82-60(103)88-76(122-82)37(95)28-120-88)84(117-11)74(113-7)49(66(68)105-62)70-56(99)87-73(110(70)4)58(101)79(125-87)44-27-48-92(128-44)81-46(130-48)25-42(121-81)77-59(102)89-90(123-77)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)41(24-34)116-10)50(75(114-8)85(52)118-12)71-55(98)86-72(109(71)3)57(100)78(124-86)43-26-47-91(127-43)80-45(129-47)13-14-119-80/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)c1cc(c(c2c(cc(n2C)c2c(c3c(c(c(c4c(c(c(c5c4nc(cn5)SC)c4cc5c(s4)c(c(n5C)c4cc(c(c5c(ccn5C)F)s4)SC)C)OC)C)n3C)C)o2)OC)F)s1)SC)C	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1cc2c(s1)c(c(n2C)c1cc(c(s1)c1n(C)ccc1F)SC)C)OC)C)c1n(C)c2c(c1C)oc(c2OC)c1cc(c(n1C)c1sc(cc1SC)c1n(C)c2c(c1C)sc(c2)c1c(OC)c(C)c(c2c1ncc(n2)SC)c1n(C)c2c(c1C)occ2OC)F	


key: InChI
value:
  InChI=1S/C76H70F2N10O6S8/c1-31-51(61-33(3)69-65(87(61)11)42(89-13)30-93-69)57-55(79-28-49(81-57)97-19)53(67(31)90-14)43-25-41-74(100-43)36(6)60(86(41)10)46-27-48(96-18)76(102-46)64-38(78)23-39(84(64)8)71-72(92-16)66-70(94-71)34(4)62(88(66)12)52-32(2)68(91-15)54(56-58(52)82-50(98-20)29-80-56)44-24-40-73(99-44)35(5)59(85(40)9)45-26-47(95-17)75(101-45)63-37(77)21-22-83(63)7/h21-30H,1-20H3


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


key: InChI
value:
  InChI=1S/C56H50F2N4O6S3/c1-23-15-30(16-24(2)25(23)3)40-42-35(63-10)21-67-52(42)41(31-17-32(57)26(4)33(58)18-31)44-53(40)68-54(56(44)70-14)48-29(7)55-34(61(48)8)19-37(71-55)43-45-46(60-38(69-13)20-59-45)39(27(5)50(43)65-12)47-28(6)51-49(62(47)9)36(64-11)22-66-51/h15-22H,1-14H3


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


key: InChI
value:
  InChI=1S/C38H38FN5O6S4/c1-15-13-49-31-23(15)42(3)25(34(31)52-11)18-16(2)32(51-10)19(22-21(18)40-37(47-8)38(41-22)48-9)33-20(39)26-36(54-33)35(53-12)28(44(26)5)27-29(46-7)30-24(43(27)4)17(45-6)14-50-30/h13-14H,1-12H3


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(n2C)c2c(c3c(c(c(c4c(c(c(c5c4nc(cn5)SC)c4c(c5c(s4)cc(n5C)c4c(cc(c5c(ccn5C)SC)s4)C)SC)F)SC)o3)OC)s2)F)SC)s1)C)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c1oc3c(c1OC)sc(c3F)c1cc(c(n1C)c1sc(c(c1)C)c1cc3c(n1C)c(c(s3)c1c(F)c(SC)c(c3c1ncc(n3)SC)c1oc3c(c1OC)scc3F)SC)SC)c(c(c2c1sc2c(c1SC)n(c(c2)c1sc(cc1C)c1c(SC)ccn1C)C)F)SC	


key: InChI
value:
  InChI=1S/C72H58F4N8O4S14/c1-27-19-35(52-33(89-9)17-18-81(52)3)98-62(27)30-22-37-54(83(30)5)69(95-15)68(100-37)42-46(75)66(94-14)44(51-49(42)78-25-40(80-51)92-12)58-61(86-8)72-59(88-58)47(76)64(102-72)32-21-34(90-10)53(82(32)4)36-20-28(2)63(99-36)31-23-38-55(84(31)6)70(96-16)67(101-38)41-45(74)65(93-13)43(50-48(41)77-24-39(79-50)91-11)57-60(85-7)71-56(87-57)29(73)26-97-71/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)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)C)SC)F)SC)o3)OC)s2)F)SC)o1)C)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c1oc3c(c1OC)sc(c3F)c1sc(c(c1)SC)c1oc(cc1C)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)C)c1sccc1SC)C)F)SC	


key: InChI
value:
  InChI=1S/C70H52F4N6O6S14/c1-25-17-30(83-52(25)61-32(87-7)15-16-95-61)28-19-33-50(79(28)3)67(93-13)66(97-33)40-44(73)64(92-12)42(49-47(40)76-23-38(78-49)90-10)56-59(82-6)70-57(86-56)45(74)60(100-70)36-21-35(88-8)62(99-36)53-26(2)18-31(84-53)29-20-34-51(80(29)4)68(94-14)65(98-34)39-43(72)63(91-11)41(48-46(39)75-22-37(77-48)89-9)55-58(81-5)69-54(85-55)27(71)24-96-69/h15-24H,1-14H3


key: InChI
value:
  InChI=1S/C32H24O6S5Se/c1-13-9-18(38-27(13)17-11-16(35-3)28(37-17)30-19(40-5)7-8-42-30)29-22-23(31(43-29)20-10-15(39-4)12-44-20)26(34)24-21(25(22)33)14(2)36-32(24)41-6/h7-12H,1-6H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(ccs2)n1C)SC)SC)OC)c1c(c2c(c(c(o2)c2cc3c(c4c(c(c(o4)c4cc5c(c(c(c6c(c(c(c7c6nn(n7)C)c6c(c7c(c(c(o7)c7cc8c(c9c(c(co9)F)o8)s7)C)n6C)F)OC)SC)n5C)SC)s4)F)o3)s2)C)n1C)F	


key: CAN_SMILES
value:
  CSc1c(c2nn(nc2c(c1OC)c1n(C)c2c(c1F)oc(c2C)c1cc2c(s1)c1c(o2)c(co1)F)C)c1n(C)c2c(c1SC)sc(c2)c1oc2c(c1F)oc1c2sc(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/C66H48F4N10O8S8/c1-21-42-54(86-48(21)29-18-26-61(95-29)57-50(84-26)23(67)20-83-57)35(68)45(77(42)5)32-39-41(74-80(8)72-39)34(64(90-12)53(32)82-10)47-66(92-14)60-25(76(47)4)17-28(94-60)51-37(70)56-58(88-51)62-27(85-56)19-30(96-62)49-22(2)43-55(87-49)36(69)44(78(43)6)31-38-40(73-79(7)71-38)33(63(89-11)52(31)81-9)46-65(91-13)59-24(75(46)3)15-16-93-59/h15-20H,1-14H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(c[se]1)SC)C(=O)c1c(oc(c1C2=O)C)SC)c1cc2c(o1)[CH][C](c1c(c(c(s1)c1c(cc(c3c4c(c(s3)c3cc5c(o3)[CH][C](c3c(c(cs3)F)SC5)F)C(=O)c3c(C4=O)c(oc3C)SC)[se]1)SC)F)SC2)F	


key: CAN_SMILES
value:
  CSc1c[se]c(c1)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1cc2c(o1)[CH][C](F)c1c(SC2)c(F)c(s1)c1[se]c(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1cc2c(o1)[CH][C](F)c1c(SC2)c(F)cs1	


key: InChI
value:
  InChI=1S/C56H30F4O8S10Se2/c1-17-32-38(55(65-17)71-5)43(63)36-34(41(32)61)48(77-50(36)30-9-21(69-3)16-79-30)27-8-20-14-74-52-40(60)53(76-47(52)23(58)11-26(20)68-27)54-29(70-4)12-31(80-54)51-37-35(42(62)33-18(2)66-56(72-6)39(33)44(37)64)49(78-51)28-7-19-13-73-46-24(59)15-75-45(46)22(57)10-25(19)67-28/h7-12,15-16H,13-14H2,1-6H3/b22-10-,23-11-


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cs1)F)SC)F)c1c(c(c(o1)c1c(c2c(c(c(o2)c2c(c(c(c3cc(c(c4c3nn(n4)C)c3c(c(c(o3)c3c(c4c(c(co4)OC)n3C)OC)OC)OC)F)s2)SC)F)OC)n1C)OC)OC)OC	


key: CAN_SMILES
value:
  CSc1c(F)c(sc1c1cc(F)c(c2c1nn(n2)C)c1oc(c(c1OC)OC)c1n(C)c2c(c1OC)occ2OC)c1oc2c(c1OC)n(c(c2OC)c1oc(c(c1OC)OC)c1c(F)cc(c2c1nn(n2)C)c1scc(c1SC)F)C	


key: InChI
value:
  InChI=1S/C54H46F4N8O12S4/c1-63-32-24(67-5)17-75-41(32)38(68-6)33(63)43-47(73-11)45(71-9)37(76-43)26-22(56)16-20(29-31(26)62-66(4)60-29)51-54(80-14)27(58)53(82-51)49-40(70-8)35-42(78-49)39(69-7)34(64(35)2)44-48(74-12)46(72-10)36(77-44)25-21(55)15-19(28-30(25)61-65(3)59-28)50-52(79-13)23(57)18-81-50/h15-18H,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)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)cc(s3)c2c(c3c(c(c(c4c(c(c(c5c4nc(cn5)SC)c4c(c5c(s4)cc(n5C)c4oc5c(c(c6c(c5c5cc(c(o5)C)SC)ccs6)c5cc(c(F)n5C)OC)c4OC)SC)F)SC)o3)OC)s2)F)c2cc(c(F)n2C)OC)c1OC)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c1oc3c(c1OC)sc(c3F)c1cc3c(s1)c(c1cc(c(n1C)F)OC)c1c(c3c3cc(c(o3)C)SC)oc(c1OC)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(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)ccs1)C)F)SC	


key: InChI
value:
  InChI=1S/C96H72F6N8O12S14/c1-33-46(123-13)28-42(117-33)53-35-21-22-131-84(35)55(38-24-44(111-7)95(101)109(38)5)57-75(53)120-73(77(57)113-9)40-26-48-70(107(40)3)91(129-19)90(133-48)60-64(99)88(128-18)62(69-67(60)104-31-52(106-69)126-16)80-83(116-12)94-81(122-80)65(100)86(136-94)50-23-36-54(43-29-47(124-14)34(2)118-43)76-58(56(85(36)135-50)39-25-45(112-8)96(102)110(39)6)78(114-10)74(121-76)41-27-49-71(108(41)4)92(130-20)89(134-49)59-63(98)87(127-17)61(68-66(59)103-30-51(105-68)125-15)79-82(115-11)93-72(119-79)37(97)32-132-93/h21-32H,1-20H3


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(s3)c3cc4c(c(c(c5c(c(c(c6c5nn(n6)C)c5c(c6c(c(c(o6)c6c(c7c(c(cs7)F)s6)F)C)n5C)F)OC)SC)n4C)SC)s3)F)s2)F)C)n1C)F	


key: CAN_SMILES
value:
  CSc1c(c2nn(nc2c(c1OC)c1n(C)c2c(c1F)oc(c2C)c1sc2c(c1F)scc2F)C)c1n(C)c2c(c1SC)sc(c2)c1sc2c(c1F)sc(c2F)c1oc2c(c1C)n(c(c2F)c1c(OC)c(SC)c(c2c1nn(n2)C)c1n(C)c2c(c1SC)scc2)C	


key: InChI
value:
  InChI=1S/C62H46F6N10O4S10/c1-19-38-48(81-44(19)56-32(67)58-50(90-56)21(63)18-88-58)29(64)41(75(38)5)26-35-37(72-78(8)70-35)28(55(84-12)47(26)80-10)43-62(86-14)52-23(74(43)4)17-24(89-52)53-31(66)59-60(91-53)33(68)57(92-59)45-20(2)39-49(82-45)30(65)40(76(39)6)25-34-36(71-77(7)69-34)27(54(83-11)46(25)79-9)42-61(85-13)51-22(73(42)3)15-16-87-51/h15-18H,1-14H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)F)C)c1c(c2c(o1)c(cn2C)SC)C)SC)c1cc2c(o1)c(c(s2)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1)SC	


key: InChI
value:
  InChI=1S/C52H41F2N3O3S7/c1-22-11-26(14-29(12-22)58-6)39-31-17-36(67-48(31)40(38-23(2)21-65-50(38)39)27-13-28(53)16-30(15-27)61-7)49-51(64-10)47-35(66-49)19-33(59-47)41-34(62-8)18-32(42-43(41)55-25(4)52(54)56-42)45-24(3)44-46(60-45)37(63-9)20-57(44)5/h11-21H,1-10H3


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)c1sc2c(c1SC)oc(c2)c1c(SC)cc(c2c1nc(C)c(n2)F)c1oc2c(c1C)n(cc2SC)C	


key: InChI
value:
  InChI=1S/C34H26N4O6S6/c1-39-17-8-7-16-29(37-49-35-16)26(17)19-12-22(42-4)32(44-19)34-25(46-6)14-24(48-34)15-11-18(40-2)27(30-28(15)36-50-38-30)20-13-21(41-3)31(43-20)33-23(45-5)9-10-47-33/h7-14H,1-6H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(cc1)F)F)c1ccccc1)SC)C)c1oc2c(c(c3c(c2C)c(c(o3)c2c(c(c(c3c2nc(c(n3)c2ccccc2)c2cc(c(cc2)F)F)c2oc3c(c(c4c(c3C)c(co4)C)C)c2F)C)SC)C)C)c1F	


key: CAN_SMILES
value:
  CSc1c(c2oc3c(c2C)c(C)c2c(c3C)c(F)c(o2)c2c(C)c(SC)cc3c2nc(c2ccccc2)c(n3)c2ccc(c(c2)F)F)c2nc(c3ccc(c(c3)F)F)c(nc2c(c1C)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1)c1ccccc1	


key: InChI
value:
  InChI=1S/C70H48F6N4O4S2/c1-29-28-81-63-34(6)49-54(75)69(83-65(49)31(3)47(29)63)52-36(8)70(86-10)53(62-61(52)79-57(38-19-15-12-16-20-38)59(80-62)40-22-24-42(72)44(74)26-40)67-33(5)48-32(4)66-50(35(7)64(48)82-67)55(76)68(84-66)51-30(2)46(85-9)27-45-60(51)78-56(37-17-13-11-14-18-37)58(77-45)39-21-23-41(71)43(73)25-39/h11-28H,1-10H3


key: InChI
value:
  InChI=1S/C30H18N4O4S2Se2Si2/c1-35-13-4-3-12-25(33-39-31-12)22(13)15-8-20-28(38-15)30-21(44-20)10-17(42-30)11-7-14(36-2)23(26-24(11)32-40-34-26)16-9-19-27(37-16)29-18(43-19)5-6-41-29/h3-10H,43-44H2,1-2H3


key: SMILES
value:
  c1(c(ccc2nsnc12)OC)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)cc(s3)c1cc(c(c2c1nsn2)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)ccs3)c1cc(c(o1)F)OC)OC)c1cc(c(o1)F)OC	


key: CAN_SMILES
value:
  COc1cc(oc1F)c1c2sc(cc2c(c2c1cc(n2C)c1c(OC)ccc2c1nsn2)c1cc(c(n1C)F)SC)c1cc(OC)c(c2c1nsn2)c1cc2c(n1C)c(c1cc(c(n1C)F)SC)c1c(c2c2cc(c(o2)F)OC)scc1	


key: InChI
value:
  InChI=1S/C58H42F4N8O6S6/c1-67-29(46-33(71-5)12-11-28-49(46)65-81-63-28)16-26-45(36-22-38(74-8)58(62)76-36)54-27(43(52(26)67)32-20-41(78-10)56(60)70(32)4)18-39(80-54)24-17-34(72-6)47(50-48(24)64-82-66-50)30-15-25-44(35-21-37(73-7)57(61)75-35)53-23(13-14-79-53)42(51(25)68(30)2)31-19-40(77-9)55(59)69(31)3/h11-22H,1-10H3


key: SMILES
value:
  c1(c(c(cc2nonc12)OC)OC)c1c(cc(c2c(cc(n2C)c2c(c(c(c3c2non3)c2c(cc(c3c(ccn3C)SC)o2)OC)OC)OC)SC)o1)OC	


key: InChI
value:
  InChI=1S/C38H36N6O10S2/c1-43-12-11-24(55-9)32(43)19-15-22(46-4)36(51-19)28-31-30(41-54-42-31)26(37(49-7)38(28)50-8)18-14-25(56-10)33(44(18)2)20-16-23(47-5)35(52-20)27-29-17(39-53-40-29)13-21(45-3)34(27)48-6/h11-16H,1-10H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(cs2)F)C)F)C)c1c(c2c(cc(s2)c2oc3c(c(c4c(c3c3cc(c(o3)C)SC)cc(s4)c3c(c4c(c(c(c5c(c(c(c6c5nsn6)c5c(c6c(cc(s6)c6oc7c(c(c8c(c7c7cc(c(o7)C)SC)ccs8)c7cc(c(F)n7C)OC)c6OC)n5C)OC)C)F)o4)C)s3)F)c3cc(c(F)n3C)OC)c2OC)n1C)OC	


key: CAN_SMILES
value:
  COc1cc(n(c1F)C)c1c2sc(cc2c(c2c1c(OC)c(o2)c1cc2c(s1)c(c(n2C)c1c(C)c(F)c(c2c1nsn2)c1oc2c(c1C)scc2F)OC)c1oc(c(c1)SC)C)c1sc2c(c1F)oc(c2C)c1c(F)c(C)c(c2c1nsn2)c1n(C)c2c(c1OC)sc(c2)c1oc2c(c1OC)c(c1c(c2c2oc(c(c2)SC)C)ccs1)c1cc(c(n1C)F)OC	


key: InChI
value:
  InChI=1S/C90H64F6N8O12S10/c1-29-51(64-66(99-125-97-64)59(61(29)92)70-31(3)82-72(113-70)37(91)28-120-82)68-80(109-15)87-41(102(68)8)25-49(122-87)74-78(108-14)58-56(39-23-45(106-12)90(96)104(39)10)85-36(54(76(58)116-74)43-27-47(118-18)34(6)112-43)21-50(123-85)88-63(94)79-83(124-88)32(4)71(114-79)60-62(93)30(2)52(65-67(60)100-126-98-65)69-81(110-16)86-40(101(69)7)24-48(121-86)73-77(107-13)57-55(38-22-44(105-11)89(95)103(38)9)84-35(19-20-119-84)53(75(57)115-73)42-26-46(117-17)33(5)111-42/h19-28H,1-18H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)OC)c1c(c(co1)C)SC)OC)C)c1c(c(c(o1)c1oc2c(c(c3c(c2)c(c(n3C)c2c(c(c(c3c(c(c(c4c3nc(c(n4)OC)C)c3c(c(c(o3)c3oc4c(c(c5c(c4)c(cn5C)F)F)c3F)F)C)C)OC)o2)SC)C)F)F)c1F)F)C	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C68H52F8N6O10S2/c1-21-20-87-59(65(21)93-15)38-49-47(79-67(85-13)27(7)77-49)34(22(2)54(38)83-11)56-24(4)41(71)62(90-56)64-46(76)37-33(89-64)18-30-42(72)53(82(10)52(30)44(37)74)58-26(6)66(94-16)60(92-58)39-50-48(80-68(86-14)28(8)78-50)35(23(3)55(39)84-12)57-25(5)40(70)61(91-57)63-45(75)36-32(88-63)17-29-31(69)19-81(9)51(29)43(36)73/h17-20H,1-16H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C90H70F8N8O6S10/c1-35-25-39(19-21-55(35)107-9)57-43-23-24-103(5)70(43)59(41-27-49(93)75(109-11)50(94)28-41)63-82(57)121-89(84(63)116-16)87-79(113-13)38(4)78(120-87)62-48(92)32-46(67-69(62)102-112-100-67)73-86(118-18)65(98)74(106(73)8)54-33-44-58(40-20-22-56(108-10)36(2)26-40)83-64(60(71(44)105(54)7)42-29-51(95)76(110-12)52(96)30-42)85(117-17)90(122-83)88-80(114-14)37(3)77(119-88)61-47(91)31-45(66-68(61)101-111-99-66)72-81(115-15)53(97)34-104(72)6/h19-34H,1-18H3


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(c2c2ccc(s2)F)c(c(s3)c2c(cc(c3c4c(c([se]3)c3cc(c(o3)c3sc5c(c(c6c(c5c5ccc(s5)F)c(cs6)SC)c5cc(c(s5)OC)C)c3)F)C(=O)c3c(C4=O)cc(c(c3)SC)OC)[se]2)F)SC)c2cc(c(s2)OC)C)c1)F	


key: CAN_SMILES
value:
  COc1sc(cc1C)c1c2sc(c(c2c(c2c1cc(s2)c1oc(cc1F)c1[se]c(c2c1C(=O)c1cc(SC)c(cc1C2=O)OC)c1[se]cc(c1)F)c1ccc(s1)F)SC)c1[se]c(cc1F)c1[se]c(c2c1C(=O)c1cc(OC)c(cc1C2=O)SC)c1cc(c(o1)c1cc2c(s1)c(c1ccc(s1)F)c1c(c2c2cc(c(s2)OC)C)scc1SC)F	


key: InChI
value:
  InChI=1S/C86H48F6O10S12Se4/c1-29-15-49(112-85(29)99-5)58-36-22-51(110-74(36)60(45-11-13-56(91)108-45)62-53(105-9)27-107-76(58)62)72-39(89)25-44(102-72)82-64-66(69(94)33-19-42(98-4)48(104-8)21-35(33)71(64)96)84(118-82)55-26-40(90)80(116-55)79-78(106-10)67-61(46-12-14-57(92)109-46)75-37(59(77(67)114-79)50-16-30(2)86(100-6)113-50)23-52(111-75)73-38(88)24-43(101-73)81-63-65(83(117-81)54-17-31(87)28-115-54)68(93)32-18-41(97-3)47(103-7)20-34(32)70(63)95/h11-28H,1-10H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)c1cc(c(s1)c1cc(c(c2c(cc(s2)c2c(cc(c3c4c(c(o3)c3cc(c(s3)c3cc(c(c5c(ccs5)SC)o3)OC)OC)C(=O)c3c(C4=O)ccc(c3)OC)o2)F)SC)o1)OC)OC	


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1sc(c(c1)OC)c1cc(c(o1)c1sccc1SC)OC)c1oc(c(c1)F)c1cc(c(s1)c1oc(cc1OC)c1sc(cc1OC)c1oc(c2c1C(=O)c1c(C2=O)ccc(c1)OC)c1occ(c1)F)SC	


key: InChI
value:
  InChI=1S/C64H40F2O16S6/c1-71-26-9-11-28-30(16-26)52(69)48-46(50(28)67)55(35-15-25(65)24-77-35)81-59(48)42-21-38(76-6)62(86-42)40-20-34(74-4)58(80-40)64-45(84-8)23-44(88-64)54-32(66)18-36(78-54)56-47-49(53(70)31-17-27(72-2)10-12-29(31)51(47)68)60(82-56)43-22-37(75-5)61(87-43)39-19-33(73-3)57(79-39)63-41(83-7)13-14-85-63/h9-24H,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)C1=C(c2c(c(c(s2)c2c(cc(c3c4c(c(o3)C3=CC(=O)[C](S3)C3=C(c5c(c(cs5)F)[S@@]3C)F)C(=O)c3c(C4=O)ccc(c3)OC)o2)F)F)[S@@]1C)F	


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1C1=CC(=O)[C](S1)C1=C(F)c2c([S@@]1C)c(F)cs2)c1oc(c(c1)F)c1sc2c(c1F)[S@@](C(=C2F)[C]1SC(=CC1=O)c1oc(c2c1C(=O)c1c(C2=O)ccc(c1)OC)c1occ(c1)F)C	


key: InChI
value:
  InChI=1S/C56H24F6O12S6/c1-69-18-5-7-20-22(10-18)41(67)34-32(39(20)65)44(28-9-17(57)15-71-28)73-46(34)30-14-27(64)49(77-30)55-38(62)52-56(80(55)4)36(60)50(78-52)43-24(58)12-29(72-43)45-33-35(42(68)23-11-19(70-2)6-8-21(23)40(33)66)47(74-45)31-13-26(63)48(76-31)54-37(61)51-53(79(54)3)25(59)16-75-51/h5-16H,1-4H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cc(c(cc1)F)F)c1ccccc1)SC)C)c1c(cc(c2c(cc(s2)c2c(c(c(c3c2nc(c(n3)c2ccccc2)c2cc(c(cc2)F)F)c2c(cc(c3c(ccs3)C)s2)OC)C)SC)C)s1)OC	


key: CAN_SMILES
value:
  COc1cc(sc1c1c(C)c(SC)cc2c1nc(c1ccccc1)c(n2)c1ccc(c(c1)F)F)c1sc(cc1C)c1c(SC)c(C)c(c2c1nc(c1ccc(c(c1)F)F)c(n2)c1ccccc1)c1sc(cc1OC)c1sccc1C	


key: InChI
value:
  InChI=1S/C64H46F4N4O2S6/c1-31-23-24-77-60(31)48-29-44(73-5)64(79-48)51-34(4)62(76-8)52(59-58(51)71-54(36-17-13-10-14-18-36)56(72-59)38-20-22-40(66)42(68)27-38)47-25-32(2)61(78-47)49-30-45(74-6)63(80-49)50-33(3)46(75-7)28-43-57(50)70-53(35-15-11-9-12-16-35)55(69-43)37-19-21-39(65)41(67)26-37/h9-30H,1-8H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1ccc(c(c1)C)F)c1ccc(c(c1)C)OC)OC)F)c1c(c2c(c(c(o2)c2c(c(c(c3c2nc(c(n3)c2ccc(c(c2)C)OC)c2ccc(c(c2)C)F)c2c(c3c(c(co3)OC)n2C)OC)F)OC)OC)n1C)OC	


key: CAN_SMILES
value:
  COc1ccc(cc1C)c1nc2c(nc1c1ccc(c(c1)C)F)c(c1oc3c(c1OC)n(c(c3OC)c1c(F)c(OC)cc3c1nc(c1ccc(c(c1)C)OC)c(n3)c1ccc(c(c1)C)F)C)c(c(c2c1c(OC)c2c(n1C)c(co2)OC)F)OC	


key: InChI
value:
  InChI=1S/C66H56F4N6O10/c1-29-23-33(15-19-37(29)67)49-50(35-17-21-40(77-7)31(3)25-35)72-53-39(71-49)27-42(79-9)47(69)44(53)57-63(83-13)66-59(76(57)6)64(84-14)61(86-66)46-55-54(45(48(70)60(46)81-11)58-62(82-12)65-56(75(58)5)43(80-10)28-85-65)73-52(36-18-22-41(78-8)32(4)26-36)51(74-55)34-16-20-38(68)30(2)24-34/h15-28H,1-14H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1c(c2c(c3c(c(c(o3)c3cc(c(c4c3nc(c(n4)c3cc(ccc3)F)c3cc(c(c(c3)SC)OC)SC)c3c(c4c(c5c(c(co5)F)o4)s3)SC)F)F)o2)s1)SC	


key: CAN_SMILES
value:
  CSc1cc(cc(c1OC)SC)c1nc2c(cc(c(c2nc1c1cccc(c1)F)c1sc2c(c1SC)oc1c2occ1F)F)c1oc2c(c1F)oc1c2sc(c1SC)c1c(F)ccc2c1nc(c1cccc(c1)F)c(n2)c1cc(SC)c(c(c1)SC)OC	


key: InChI
value:
  InChI=1S/C64H40F6N4O6S8/c1-75-52-36(81-3)19-27(20-37(52)82-4)45-43(25-11-9-13-29(65)17-25)73-48-35(71-45)16-15-32(67)40(48)59-64(86-8)58-62(88-59)56-54(80-58)42(70)50(78-56)31-23-33(68)41(60-63(85-7)57-61(87-60)55-51(79-57)34(69)24-77-55)49-47(31)72-46(44(74-49)26-12-10-14-30(66)18-26)28-21-38(83-5)53(76-2)39(22-28)84-6/h9-24H,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)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(cs3)C)c2cc(cc(c2)C)OC)c1)C)C	


key: InChI
value:
  InChI=1S/C63H55F3N4O3S5/c1-30-16-35(20-40(17-30)71-8)52-45-27-50(78-61(45)53(51-32(3)29-77-63(51)52)36-19-39(64)25-41(21-36)74-11)59-34(5)33(4)58(70(59)7)44-15-14-43(48-26-42(75-12)28-69(48)6)56-57(44)68-54(37-18-31(2)60(73-10)49(24-37)72-9)55(67-56)38-22-46(65)62(76-13)47(66)23-38/h14-29H,1-13H3


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2cc(sc2c(c2c1scc2C)c1cc(F)cc(c1)SC)c1c(C)c(c(n1C)c1ccc(c2c1nc(c1cc(C)c(c(c1)OC)OC)c(n2)c1cc(F)c(c(c1)F)SC)c1cc(cn1C)SC)C	


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(c2c2cc(c(c(c2)C)C)C)c(co3)OC)c2cc(c(c(c2)F)C)F)c1SC)C	


key: InChI
value:
  InChI=1S/C63H53F4N3O6S3/c1-28-19-35(20-29(2)32(28)5)46-49-44(72-9)27-75-57(49)47(36-23-39(65)33(6)40(66)24-36)51-58(46)76-60(63(51)78-13)61-31(4)22-45(79-61)50-55-54(48(42-15-14-18-70(42)7)59(74-11)62(50)77-12)68-52(34-16-17-38(64)30(3)21-34)53(69-55)37-25-41(67)56(73-10)43(26-37)71-8/h14-27H,1-13H3


key: CAN_SMILES
value:
  COc1cc(cc(c1OC)F)c1nc2c(c3cc(c(s3)c3oc4c(c3SC)c(c3cc(F)c(c(c3)F)C)c3c(c4c4cc(C)c(c(c4)C)C)c(OC)co3)C)c(SC)c(c(c2nc1c1ccc(c(c1)C)F)c1cccn1C)OC	


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(c3ccc(o3)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)c6c(cc(c7ccco7)s6)C)F)n5C)F)OC)SC)s4)F)s3)F)s2)C)F)n1C)F	


key: CAN_SMILES
value:
  COc1cc(cc(c1F)SC)c1nc2c(c3sc4c(c3F)sc(c4F)c3ccc(o3)c3cc(c(s3)c3sc4c(c3F)n(c(c4F)c3c(OC)c(SC)c(c4c3nc(c3cc(C)cc(c3)F)c(n4)c3cc(OC)c(c(c3)SC)F)c3sc4c(c3F)scc4F)C)C)c(SC)c(c(c2nc1c1cc(C)cc(c1)F)c1c(F)c2c(n1C)c(c(s2)c1sc(cc1C)c1ccco1)F)OC	


key: InChI
value:
  InChI=1S/C94H60F12N6O6S12/c1-33-20-37(26-41(95)22-33)66-68(39-28-47(113-7)57(98)51(30-39)119-11)109-72-55(84-64(105)90-82(126-84)43(97)32-123-90)86(121-13)78(115-9)53(70(72)107-66)74-60(101)89-77(112(74)6)62(103)92(130-89)81-36(4)25-50(125-81)45-17-18-46(118-45)83-63(104)93-94(127-83)65(106)85(128-93)56-73-71(108-67(38-21-34(2)23-42(96)27-38)69(110-73)40-29-48(114-8)58(99)52(31-40)120-12)54(79(116-10)87(56)122-14)75-59(100)88-76(111(75)5)61(102)91(129-88)80-35(3)24-49(124-80)44-16-15-19-117-44/h15-32H,1-14H3


key: InChI
value:
  InChI=1S/C30H18N4O2S4Se2Si2/c1-35-13-4-3-12-25(33-39-31-12)22(13)16-9-21-30(42-16)28-19(44-21)8-15(38-28)11-7-14(36-2)23(26-24(11)32-40-34-26)17-10-20-29(41-17)27-18(43-20)5-6-37-27/h3-10H,43-44H2,1-2H3


key: InChI
value:
  InChI=1S/C34H26N4O10S2/c1-39-16-11-12-45-30(16)22-9-7-21(49-22)26-29-28(37-48-38-29)24(33(43-5)34(26)44-6)17-14-19(41-3)31(46-17)23-10-8-20(50-23)25-27-15(35-47-36-27)13-18(40-2)32(25)42-4/h7-14H,1-6H3


key: SMILES
value:
  c1(c(ccc2nn(nc12)C)C)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(c(o3)c1cc(c(c2c1nn(n2)C)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F)C)C)c1cc(c(s1)C)C)F	


key: CAN_SMILES
value:
  CSc1c(SC)cc(n1C)c1c2c(C)c(oc2c(c2c1n(C)c(c2F)c1c(C)ccc2c1nn(n2)C)c1cc(c(s1)C)C)c1cc(C)c(c2c1nn(n2)C)c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)occ1C	


key: InChI
value:
  InChI=1S/C66H62F2N10O2S6/c1-27-19-20-36-56(71-77(13)69-36)44(27)60-54(68)52-50(40-23-29(3)34(8)86-40)64-46(48(59(52)76(60)12)38-25-42(82-16)66(84-18)74(38)10)32(6)62(80-64)35-21-30(4)45(57-55(35)70-78(14)72-57)61-53(67)51-49(39-22-28(2)33(7)85-39)63-43(31(5)26-79-63)47(58(51)75(61)11)37-24-41(81-15)65(83-17)73(37)9/h19-26H,1-18H3


key: SMILES
value:
  c1(c(ccc2nsnc12)OC)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(c(s3)c2cc(c(c3c2nsn3)c2sc3c(c(c4c(c3c3cc(cc(c3)F)SC)c(cs4)C)c3cc(cc(c3)C)OC)c2)OC)C)c2cc(cc(c2)C)OC)c1	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2sc(c(c2c(c2c1cc(s2)c1c(OC)ccc2c1nsn2)c1cc(F)cc(c1)SC)C)c1cc(OC)c(c2c1nsn2)c1cc2c(s1)c(c1cc(F)cc(c1)SC)c1c(c2c2cc(C)cc(c2)OC)scc1C	


key: InChI
value:
  InChI=1S/C66H48F2N4O4S8/c1-29-13-33(19-39(15-29)73-5)53-43-26-50(81-63(43)55(51-31(3)28-79-65(51)53)35-17-37(67)23-41(21-35)77-9)58-48(76-8)25-45(59-61(58)72-84-70-59)62-32(4)52-56(36-18-38(68)24-42(22-36)78-10)64-44(54(66(52)82-62)34-14-30(2)16-40(20-34)74-6)27-49(80-64)57-47(75-7)12-11-46-60(57)71-83-69-46/h11-28H,1-10H3


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


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)OC)c1c(c(co1)C)SC)OC)C)c1c(c(c(o1)c1oc2c3sc(cc3[GeH2]c2c1)c1c(c(c(c2c(c(c(c3c2nc(c(n3)OC)C)c2c(c(c(o2)c2oc3c4sccc4[GeH2]c3c2)F)C)C)OC)o1)SC)C)F)C	


key: CAN_SMILES
value:
  CSc1c(C)c(oc1c1c(OC)c(C)c(c2c1nc(C)c(n2)OC)c1oc(c(c1C)F)c1cc2c(o1)c1c([GeH2]2)ccs1)c1cc2c(s1)c1c([GeH2]2)cc(o1)c1oc(c(c1F)C)c1c(C)c(OC)c(c2c1nc(OC)c(n2)C)c1occ(c1SC)C	


key: InChI
value:
  InChI=1S/C62H52F2Ge2N4O10S4/c1-21-20-75-55(57(21)81-13)38-44-42(69-61(73-11)27(7)67-44)36(22(2)47(38)71-9)49-25(5)41(64)54(80-49)34-18-31-52(77-34)60-32(66-31)19-35(84-60)46-26(6)58(82-14)56(78-46)39-45-43(70-62(74-12)28(8)68-45)37(23(3)48(39)72-10)50-24(4)40(63)53(79-50)33-17-30-51(76-33)59-29(65-30)15-16-83-59/h15-20H,65-66H2,1-14H3


key: SMILES
value:
  c1(c(c(cc2nonc12)SC)SC)c1sc2c(c(c3c(c2OC)c(c(n3C)c2c(c(c(c3c2non3)c2sc3c(c(c4c(c3OC)c(cn4C)C)OC)c2C)SC)SC)C)OC)c1C	


key: CAN_SMILES
value:
  CSc1c(c2nonc2c(c1SC)c1n(C)c2c(c1C)c(OC)c1c(c2OC)c(C)c(s1)c1c(SC)c(SC)cc2c1non2)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cn1C	


key: InChI
value:
  InChI=1S/C46H44N6O6S6/c1-17-16-51(5)34-23(17)38(55-9)43-25(36(34)53-7)19(3)41(64-43)29-32-31(49-58-50-32)27(45(61-13)46(29)62-14)33-18(2)24-35(52(33)6)37(54-8)26-20(4)40(63-44(26)39(24)56-10)28-30-21(47-57-48-30)15-22(59-11)42(28)60-12/h15-16H,1-14H3


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)c1c(c(c(n1C)c1c(cc(c2ccc(o2)c2c(c(c(c3cc(c(c4c3nsn4)c3c(c(c(n3C)c3c(cc(c4ccco4)s3)C)C)SC)C)o2)F)SC)s1)C)C)SC	


key: CAN_SMILES
value:
  CSc1c(oc(c1F)c1cc(C)c(c2c1nsn2)c1n(C)c(c(c1SC)C)c1sc(cc1C)c1ccco1)c1ccc(o1)c1cc(c(s1)c1n(C)c(c(c1C)SC)c1c(C)cc(c2c1nsn2)c1occ(c1F)SC)C	


key: InChI
value:
  InChI=1S/C56H46F2N6O4S8/c1-23-18-29(49-39(57)36(69-9)22-66-49)41-43(61-75-59-41)37(23)47-55(71-11)28(6)46(64(47)8)53-26(4)21-35(74-53)32-15-16-33(67-32)51-56(72-12)40(58)50(68-51)30-19-24(2)38(44-42(30)60-76-62-44)48-54(70-10)27(5)45(63(48)7)52-25(3)20-34(73-52)31-14-13-17-65-31/h13-22H,1-12H3


key: SMILES
value:
  c1(c(c(cc2nonc12)OC)OC)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(c(s3)c2c(c(c(c3c2non3)c2sc3c(c(c4c(c3c3cc(cc(c3)F)SC)c(cs4)C)c3cc(cc(c3)C)OC)c2)OC)OC)C)c2cc(cc(c2)C)OC)c1	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2sc(c(c2c(c2c1cc(s2)c1c(OC)c(OC)cc2c1non2)c1cc(F)cc(c1)SC)C)c1c(OC)c(OC)c(c2c1non2)c1cc2c(s1)c(c1cc(F)cc(c1)SC)c1c(c2c2cc(C)cc(c2)OC)scc1C	


key: InChI
value:
  InChI=1S/C68H52F2N4O8S6/c1-29-13-33(19-39(15-29)75-5)51-43-25-48(87-65(43)53(49-31(3)28-85-67(49)51)35-17-37(69)23-41(21-35)83-11)56-59-60(74-82-73-59)57(63(80-10)62(56)79-9)64-32(4)50-54(36-18-38(70)24-42(22-36)84-12)66-44(52(68(50)88-64)34-14-30(2)16-40(20-34)76-6)26-47(86-66)55-58-45(71-81-72-58)27-46(77-7)61(55)78-8/h13-28H,1-12H3


key: SMILES
value:
  c1(c(c(cc2nonc12)SC)SC)c1oc2c(c(c3c(c2C)c(c(o3)c2c(c(c(c3c2non3)c2oc3c(c(c4c(c3C)c(co4)C)C)c2F)SC)SC)C)C)c1F	


key: CAN_SMILES
value:
  CSc1cc2nonc2c(c1SC)c1oc2c(c1F)c(C)c1c(c2C)c(C)c(o1)c1c(SC)c(SC)c(c2c1non2)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1	


key: InChI
value:
  InChI=1S/C42H32F2N4O6S4/c1-13-12-49-33-17(5)23-28(43)39(51-35(23)14(2)21(13)33)27-32-31(47-54-48-32)26(41(57-9)42(27)58-10)37-16(4)22-15(3)36-24(18(6)34(22)50-37)29(44)38(52-36)25-30-19(45-53-46-30)11-20(55-7)40(25)56-8/h11-12H,1-10H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cn1C)C)OC)C)c1c(c(c(o1)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(c(s3)c2c(c(c(c3cc(c(c4c3nn(n4)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)n2C)OC)C)OC)c2ccc(cc2)C)c1C)F)C	


key: CAN_SMILES
value:
  COc1c2c(c3cc(C)c(c(c3)F)F)c3oc(c(c3c(c2sc1c1c(C)c(c(n1C)c1cc(C)c(c2c1nn(n2)C)c1oc(c(c1C)F)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1)OC)c1ccc(cc1)C)C)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)cc(c1OC)C	


key: InChI
value:
  InChI=1S/C92H76F6N8O8S2/c1-37-21-25-49(26-22-37)64-60-44(8)83(113-85(60)62(66-57(107-17)36-115-90(64)66)51-29-41(5)68(95)55(93)33-51)88-70(97)47(11)81(112-88)59-40(4)32-54(73-75(59)102-106(16)100-73)78-82(109-19)48(12)76(104(78)14)92-87(110-20)67-63(52-30-42(6)69(96)56(94)34-52)86-61(65(91(67)116-92)50-27-23-38(2)24-28-50)45(9)84(114-86)89-71(98)46(10)80(111-89)58-39(3)31-53(72-74(58)101-105(15)99-72)77-79(108-18)43(7)35-103(77)13/h21-36H,1-20H3


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


key: InChI
value:
  InChI=1S/C36H29FN4O5S3/c1-14-24(29-15(2)32-30(41(29)5)20(42-6)13-45-32)27-26(38-11-23(39-27)47-8)25(31(14)43-7)21-9-18-35(48-21)16(3)28(40(18)4)22-10-19-36(49-22)34-33(46-19)17(37)12-44-34/h9-13H,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)c1[se]c2c3oc(cc3[SiH2]c2c1)c1c(c2c(c(c(c3c(c(c(c4c3nsn4)c3c(c4c(o3)c(c(n4C)c3[se]c4c5occc5[SiH2]c4c3)C)C)SC)C)o2)OC)o1)F)C)C	


key: CAN_SMILES
value:
  COc1c2oc(c(c2oc1c1c(C)c(SC)c(c2c1nsn2)c1oc2c(c1C)n(c(c2C)c1cc2c([se]1)c1c([SiH2]2)cco1)C)F)c1cc2c(o1)c1c([SiH2]2)cc([se]1)c1c(C)c2c(n1C)c(c(o2)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)C	


key: InChI
value:
  InChI=1S/C64H46F2N6O10S4Se2Si2/c1-19-33(54-57(73-9)59-50(80-54)25(65)18-76-59)38-40(69-85-67-38)35(61(19)83-11)46-24(6)45-49(79-46)22(4)43(72(45)8)28-17-32-64(88-28)53-30(90-32)15-26(77-53)51-37(66)56-60(81-51)58(74-10)55(82-56)34-20(2)62(84-12)36(41-39(34)68-86-70-41)47-23(5)44-48(78-47)21(3)42(71(44)7)27-16-31-63(87-27)52-29(89-31)13-14-75-52/h13-18H,89-90H2,1-12H3


key: SMILES
value:
  c1(cc(c(c2nn(nc12)C)c1c(c2c(c(cn2C)OC)n1C)SC)F)c1c(c2c(o1)c(c(n2C)c1c(c2c(c3c(c(c(o3)c3c(c4c(c(c(c5c(cc(c6c5nn(n6)C)c5c(c6c(o5)c(c(n6C)c5c(c6c(c7c(c(co7)F)o6)s5)SC)F)SC)F)n4C)SC)n3C)OC)F)o2)s1)SC)F)SC	


key: CAN_SMILES
value:
  COc1c(c2oc3c(c2F)oc2c3sc(c2SC)c2c(F)c3c(n2C)c(c(o3)c2cc(F)c(c3c2nn(n3)C)c2n(C)c3c(c2SC)n(cc3OC)C)SC)n(c2c1n(C)c(c2SC)c1c(F)cc(c2c1nn(n2)C)c1oc2c(c1SC)n(c(c2F)c1sc2c(c1SC)oc1c2occ1F)C)C	


key: InChI
value:
  InChI=1S/C68H52F6N12O8S8/c1-79-19-26(87-9)36-42(79)59(95-11)37(80(36)2)27-23(69)17-21(32-34(27)77-85(7)75-32)47-62(98-14)46-51(91-47)30(73)40(83(46)5)64-68(100-16)58-66(102-64)56-53(94-58)31(74)52(93-56)44-54(88-10)41-43(84(44)6)60(96-12)38(81(41)3)28-24(70)18-22(33-35(28)78-86(8)76-33)48-61(97-13)45-50(90-48)29(72)39(82(45)4)63-67(99-15)57-65(101-63)55-49(92-57)25(71)20-89-55/h17-20H,1-16H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)SC)OC)OC)c1cc(c(c(c1)C)F)SC)c1c(cco1)OC)C)OC)c1c(c(c(n1C)c1sc2c(c(c3c(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)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/C65H59F2N3O6S6/c1-30-18-35(22-40(19-30)71-7)50-42-28-46(82-64(42)51(48-32(3)29-81-65(48)50)36-21-39(66)27-41(23-36)77-12)59-63(80-15)34(5)58(70(59)6)52-57-56(49(33(4)60(52)74-10)62-43(72-8)16-17-76-62)68-55(38-24-44(73-9)61(75-11)47(26-38)79-14)54(69-57)37-20-31(2)53(67)45(25-37)78-13/h16-29H,1-15H3


key: InChI
value:
  InChI=1S/C34H33FN4O3S4/c1-14-11-18(29-23(35)19(43-9)13-42-29)24-25(37-46-36-24)20(14)28-32(44-10)17(4)26(39(28)6)33-16(3)22-30(40-7)27-21(15(2)12-38(27)5)31(41-8)34(22)45-33/h11-13H,1-10H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)F)C)c1cc(cc(c1)OC)SC)c1c(c(cn1C)OC)SC)SC)SC)c1ccc(o1)c1c(c2c(c(cs2)C)n1C)OC	


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3c(OC)c4c(n3C)c(cs4)C)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


key: InChI
value:
  InChI=1S/C46H45FN4O4S5/c1-22-15-25(16-23(2)34(22)47)35-36(26-17-27(52-6)19-28(18-26)56-9)48-37-32(29-13-14-30(55-29)40-42(54-8)46-39(51(40)5)24(3)21-60-46)44(58-11)45(59-12)33(38(37)49-35)41-43(57-10)31(53-7)20-50(41)4/h13-21H,1-12H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)F)C)c1c(c(cs1)SC)F)SC)C)c1c(c(c(n1C)c1cc2c(c3c(c(c(o3)c3c(c(c(c4c(c(c(c5c4nc(c(n5)C)F)c4c(c(c(n4C)c4cc5c(c6c(c(co6)SC)o5)n4C)OC)C)C)SC)s3)F)SC)SC)o2)n1C)OC)C	


key: CAN_SMILES
value:
  CSc1c(sc(c1F)c1c(SC)c(C)c(c2c1nc(F)c(n2)C)c1n(C)c(c(c1C)OC)c1cc2c(n1C)c1c(o2)c(co1)SC)c1oc2c(c1SC)oc1c2n(C)c(c1)c1c(OC)c(c(n1C)c1c(C)c(SC)c(c2c1nc(C)c(n2)F)c1scc(c1F)SC)C	


key: InChI
value:
  InChI=1S/C66H58F4N8O6S8/c1-23-35(41-43(73-65(69)27(5)71-41)37(58(23)87-15)60-39(67)34(86-14)22-91-60)45-25(3)52(80-12)48(78(45)10)30-20-32-50(76(30)8)55-56(83-32)63(90-18)57(84-55)64-62(89-17)40(68)61(92-64)38-44-42(72-28(6)66(70)74-44)36(24(2)59(38)88-16)46-26(4)51(79-11)47(77(46)9)29-19-31-49(75(29)7)54-53(82-31)33(85-13)21-81-54/h19-22H,1-18H3


key: SMILES
value:
  c1(c(cc(c2nonc12)c1c(c(cn1C)F)SC)F)c1c(c(c(s1)c1c(c2c(c(c(n2C)c2c(c(c(c3cc(c(c4c3non4)c3c(c(c(s3)c3c(c4c(c(cn4C)C)s3)SC)SC)C)F)n2C)SC)F)C)s1)SC)SC)C	


key: CAN_SMILES
value:
  CSc1c(C)c(sc1c1sc2c(c1SC)n(c(c2C)c1c(F)c(c(n1C)c1cc(F)c(c2c1non2)c1sc(c(c1C)SC)c1sc2c(c1SC)n(cc2C)C)SC)C)c1c(F)cc(c2c1non2)c1n(C)cc(c1SC)F	


key: InChI
value:
  InChI=1S/C54H46F4N8O2S10/c1-19-17-63(5)39-41(19)75-53(49(39)73-13)51-45(69-9)21(3)43(76-51)29-26(56)16-24(32-34(29)62-68-60-32)37-48(72-12)30(58)38(66(37)8)35-20(2)44-40(65(35)7)50(74-14)54(78-44)52-46(70-10)22(4)42(77-52)28-25(55)15-23(31-33(28)61-67-59-31)36-47(71-11)27(57)18-64(36)6/h15-18H,1-14H3


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(c(s3)c1c(c(c(c2c(c(c(c3c2non3)c2c(cc(o2)c2c(c3c(c4c(c(c3n2C)c2ccc(s2)SC)c(cs4)SC)c2cc(c(s2)C)F)C)F)F)SC)s1)OC)F)SC)c1cc(c(s1)C)F)C)F	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)c(sc2c(c2c1n(C)c(c2C)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F)c1sc(c(c1)F)C)c1sc(c(c1F)OC)c1c(SC)c(F)c(c2c1non2)c1oc(cc1F)c1n(C)c2c(c1C)c(c1sc(c(c1)F)C)c1c(c2c2ccc(s2)SC)c(SC)cs1	


key: InChI
value:
  InChI=1S/C78H52F8N6O6S14/c1-25-43-47(38-21-29(79)27(3)107-38)70-49(40(99-9)24-106-70)45(36-15-17-41(100-10)109-36)64(43)91(5)62(25)34-19-32(82)67(95-34)52-56(85)73(103-13)54(61-59(52)88-98-90-61)75-69(94-8)57(86)77(112-75)78-76(104-14)50-46(37-16-18-42(101-11)110-37)65-44(48(71(50)111-78)39-22-30(80)28(4)108-39)26(2)63(92(65)6)35-20-31(81)66(96-35)51-55(84)72(102-12)53(60-58(51)87-97-89-60)74-68(93-7)33(83)23-105-74/h15-24H,1-14H3


key: SMILES
value:
  c1(c(ccc2nsnc12)OC)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(c(s3)c1cc(c(c2c1nsn2)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC)OC)SC)c1cc(c(c(c1)F)SC)OC)OC	


key: CAN_SMILES
value:
  COc1cc(c2c(c1c1n(C)c3c(c1OC)c(c1cc(F)c(c(c1)OC)SC)c1c(c3c3ccc(c(c3)C)C)c(SC)cs1)nsn2)c1sc2c(c1SC)c(c1ccc(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)OC)SC)c(OC)c(n1C)c1c(OC)ccc2c1nsn2	


key: InChI
value:
  InChI=1S/C72H62F2N6O6S8/c1-31-17-19-35(23-33(31)3)48-54-47(87-13)30-91-70(54)50(37-25-40(73)68(88-14)45(27-37)83-9)55-61(48)79(5)64(65(55)85-11)53-44(82-8)29-39(58-60(53)78-94-76-58)67-72(90-16)57-49(36-20-18-32(2)34(4)24-36)62-56(51(71(57)92-67)38-26-41(74)69(89-15)46(28-38)84-10)66(86-12)63(80(62)6)52-43(81-7)22-21-42-59(52)77-93-75-42/h17-30H,1-16H3


key: InChI
value:
  InChI=1S/C38H37N5O5S2/c1-18-29(34-19(2)37-35(43(34)6)26(45-8)17-47-37)32-31(39-15-28(40-32)49-10)30(36(18)46-9)27-14-23-38(50-27)20(3)33(42(23)5)25-12-11-24(48-25)22-13-21(44-7)16-41(22)4/h11-17H,1-10H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1sc2c(c(c3c(c2c2cc(cc(c2)F)SC)c(c(s3)c2cc(c(c3c2nc(c(n3)c2cc(ccc2)F)c2cc(c(c(c2)SC)OC)SC)c2sc3c(c(c4c(c3c3cc(cc(c3)F)SC)c(cs4)C)c3cc(cc(c3)C)OC)c2)F)C)c2cc(cc(c2)C)OC)c1	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2sc(c(c2c(c2c1cc(s2)c1c(F)ccc2c1nc(c1cccc(c1)F)c(n2)c1cc(SC)c(c(c1)SC)OC)c1cc(F)cc(c1)SC)C)c1cc(F)c(c2c1nc(c1cc(SC)c(c(c1)SC)OC)c(n2)c1cccc(c1)F)c1cc2c(s1)c(c1cc(F)cc(c1)SC)c1c(c2c2cc(C)cc(c2)OC)scc1C	


key: InChI
value:
  InChI=1S/C98H72F6N4O4S10/c1-45-23-51(31-61(25-45)109-5)79-65-42-72(121-95(65)81(77-47(3)44-119-97(77)79)53-29-59(101)39-63(33-53)113-9)84-69(104)41-67(89-91(84)108-86(50-18-16-20-58(100)28-50)88(106-89)56-37-75(117-13)93(112-8)76(38-56)118-14)94-48(4)78-82(54-30-60(102)40-64(34-54)114-10)96-66(80(98(78)122-94)52-24-46(2)26-62(32-52)110-6)43-71(120-96)83-68(103)21-22-70-90(83)107-85(49-17-15-19-57(99)27-49)87(105-70)55-35-73(115-11)92(111-7)74(36-55)116-12/h15-44H,1-14H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(c[se]1)SC)C(=O)c1c(oc(c1C2=O)C)SC)c1cc(c(o1)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(cs3)OC)c2ccc(cc2)C)c1C)C	


key: InChI
value:
  InChI=1S/C48H34F2O6S4Se/c1-19-9-11-24(12-10-19)34-31-22(4)43(56-44(31)33(35-29(53-6)17-59-47(34)35)25-13-20(2)39(50)27(49)15-25)42-21(3)14-28(55-42)45-36-37(46(60-45)30-16-26(57-7)18-61-30)41(52)38-32(40(36)51)23(5)54-48(38)58-8/h9-18H,1-8H3


key: CAN_SMILES
value:
  CSc1c[se]c(c1)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1cc(c(o1)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1)C	


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)F)C(=O)c1c(scc1C2=O)C)c1cc(c(s1)c1c(c2c(c(c(s2)c2c(cc(c3c4c(c(o3)c3cc(c(s3)c3c(c5c(c(cs5)C)n3C)OC)SC)C(=O)c3c(C4=O)c(sc3)C)s2)F)C)n1C)OC)SC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1n(C)c2c(c1OC)sc(c2C)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)csc1C)c1cc(c(s1)c1n(C)c2c(c1OC)scc2C)SC)c1oc(c2c1C(=O)c1c(C2=O)c(sc1)C)c1scc(c1)F	


key: InChI
value:
  InChI=1S/C58H38F2N2O8S10/c1-19-15-76-57-39(19)61(5)41(51(57)67-7)55-31(71-9)14-30(78-55)50-36-38(46(66)34-22(4)74-18-25(34)44(36)64)48(70-50)28-12-26(60)54(77-28)53-20(2)40-58(80-53)52(68-8)42(62(40)6)56-32(72-10)13-29(79-56)49-35-37(47(69-49)27-11-23(59)16-75-27)45(65)33-21(3)73-17-24(33)43(35)63/h11-18H,1-10H3


key: SMILES
value:
  c1(c(c(cc2nonc12)OC)OC)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)c(c(o3)c2c(c(c(c3c2non3)C2=C([C]3C(=C4[C](C(=C3O2)[C]2C=C([C](C(=C2)C)C)C)C(=CO4)OC)[C]2C=C([C](C(=C2)F)C)F)SC)OC)OC)OC)c2cc(c(c(c2)F)C)F)c1SC	


key: CAN_SMILES
value:
  COC1=COC2=C([C]3C(=C([C]12)[C]1C=C(C)[C](C(=C1)C)C)OC(=C3SC)c1c(OC)c(OC)c(c2c1non2)c1oc2c(c1OC)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)F)C)c(SC)c(o1)c1c(OC)c(OC)cc2c1non2)[C]1C=C(F)[C](C(=C1)F)C	


key: InChI
value:
  InChI=1S/C72H58F4N4O12S2/c1-27-17-35(18-28(2)31(27)5)46-50-45(82-10)26-87-61(50)48(37-21-39(73)33(7)40(74)22-37)52-63(46)89-70(71(52)93-15)56-59-58(79-92-80-59)55(66(85-13)67(56)86-14)68-65(84-12)51-47(36-19-29(3)32(6)30(4)20-36)64-53(49(62(51)88-68)38-23-41(75)34(8)42(76)24-38)72(94-16)69(90-64)54-57-43(77-91-78-57)25-44(81-9)60(54)83-11/h17-26H,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)c1c(c2c(c3c(cc2n1C)c(c(s3)c1c(c(c(c2c(c(c(c3c2nc(c(n3)C)F)c2c(c(c(n2C)c2c(c3c(c4c(cc3n2C)c(cs4)F)SC)SC)OC)C)C)SC)s1)F)SC)F)SC)SC)OC)C	


key: CAN_SMILES
value:
  CSc1c(sc(c1F)c1c(SC)c(C)c(c2c1nc(F)c(n2)C)c1n(C)c(c(c1C)OC)c1c(SC)c2c(n1C)cc1c(c2SC)scc1F)c1sc2c(c1F)cc1c(c2SC)c(SC)c(n1C)c1c(OC)c(c(n1C)c1c(C)c(SC)c(c2c1nc(C)c(n2)F)c1scc(c1F)SC)C	


key: InChI
value:
  InChI=1S/C72H64F6N8O2S12/c1-25-37(46-48(81-71(77)29(5)79-46)41(58(25)90-14)62-44(75)36(89-13)24-98-62)50-27(3)57(88-12)53(85(50)9)55-65(93-17)40-35(84(55)8)22-32-43(74)69(99-61(32)67(40)95-19)70-68(96-20)45(76)63(100-70)42-49-47(80-30(6)72(78)82-49)38(26(2)59(42)91-15)51-28(4)56(87-11)52(86(51)10)54-64(92-16)39-34(83(54)7)21-31-33(73)23-97-60(31)66(39)94-18/h21-24H,1-20H3


key: InChI
value:
  InChI=1S/C31H26FN3O5S2/c1-12-11-38-28(29(12)41-7)20-23-22(35-31(37-6)15(4)33-23)19(13(2)24(20)36-5)25-14(3)21(32)27(40-25)18-10-17-26(39-18)30-16(34-17)8-9-42-30/h8-11,34H,1-7H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)F)c1c(c(cs1)F)OC)SC)SC)c1c(c(c(n1C)c1cc(c(c2c(cc(n2C)c2c(c(c(c3c(c(c(c4c3nc(c(n4)F)C)c3c(c(c(n3C)c3cc(c(c4c(ccn4C)F)s3)SC)F)F)SC)SC)s2)OC)F)F)s1)SC)F)F	


key: CAN_SMILES
value:
  CSc1cc(sc1c1c(F)cc(n1C)c1sc(c(c1F)OC)c1c(SC)c(SC)c(c2c1nc(C)c(n2)F)c1n(C)c(c(c1F)F)c1cc(c(s1)c1n(C)ccc1F)SC)c1n(C)c(c(c1F)F)c1c(SC)c(SC)c(c2c1nc(F)c(n2)C)c1scc(c1OC)F	


key: InChI
value:
  InChI=1S/C62H48F10N8O2S10/c1-21-61(71)75-40-31(57(85-11)59(87-13)33(42(40)73-21)55-50(81-7)25(65)20-89-55)48-38(69)36(67)47(80(48)6)28-19-30(84-10)54(91-28)45-24(64)17-26(78(45)4)52-39(70)51(82-8)56(92-52)34-43-41(76-62(72)22(2)74-43)32(58(86-12)60(34)88-14)49-37(68)35(66)46(79(49)5)27-18-29(83-9)53(90-27)44-23(63)15-16-77(44)3/h15-20H,1-14H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(c[se]1)SC)C(=O)c1c(oc(c1C2=O)C)SC)c1cc(c(o1)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(c(s3)c2c(cc(c3c4c(c(s3)c3cc(c(o3)c3oc5c(c(c6c(c5c5cc(c(c(c5)C)F)F)c(cs6)OC)c5ccc(cc5)C)c3C)C)C(=O)c3c(C4=O)c(oc3C)SC)[se]2)SC)OC)c2ccc(cc2)C)c1C)C	


key: CAN_SMILES
value:
  CSc1c[se]c(c1)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1cc(c(o1)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)c(s1)c1[se]c(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1cc(c(o1)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1)C)C	


key: InChI
value:
  InChI=1S/C96H66F4O12S8Se2/c1-35-17-21-45(22-18-35)64-58-41(7)82(111-84(58)62(66-54(105-11)33-117-91(64)66)47-25-37(3)74(99)50(97)29-47)80-40(6)28-53(110-80)88-68-70(79(104)72-61(77(68)102)44(10)108-96(72)116-16)90(119-88)57-32-55(114-14)94(122-57)93-86(106-12)73-63(48-26-38(4)75(100)51(98)30-48)85-59(65(92(73)120-93)46-23-19-36(2)20-24-46)42(8)83(112-85)81-39(5)27-52(109-81)87-67-69(89(118-87)56-31-49(113-13)34-121-56)78(103)71-60(76(67)101)43(9)107-95(71)115-15/h17-34H,1-16H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(c(s3)c1cc(c(c2c1nc(c(n2)c1cc(ccc1)F)c1cc(c(c(c1)SC)OC)SC)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC)F)SC)c1cc(c(c(c1)F)SC)OC)OC	


key: CAN_SMILES
value:
  COc1cc(cc(c1SC)F)c1c2sc(c(c2c(c2c1c(OC)c(n2C)c1c(F)ccc2c1nc(c1cccc(c1)F)c(n2)c1cc(SC)c(c(c1)SC)OC)c1ccc(c(c1)C)C)SC)c1cc(F)c(c2c1nc(c1cc(SC)c(c(c1)SC)OC)c(n2)c1cccc(c1)F)c1c(OC)c2c(n1C)c(c1ccc(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)OC)SC)scc1SC	


key: InChI
value:
  InChI=1S/C104H86F6N6O6S10/c1-47-27-29-51(33-49(47)3)74-80-73(127-17)46-131-102(80)76(55-37-64(109)100(128-18)67(39-55)117-7)81-91(74)115(5)94(97(81)121-11)79-63(108)45-61(88-90(79)114-85(54-24-22-26-60(106)36-54)87(112-88)58-43-71(125-15)96(120-10)72(44-58)126-16)99-104(130-20)83-75(52-30-28-48(2)50(4)34-52)92-82(77(103(83)132-99)56-38-65(110)101(129-19)68(40-56)118-8)98(122-12)93(116(92)6)78-62(107)31-32-66-89(78)113-84(53-23-21-25-59(105)35-53)86(111-66)57-41-69(123-13)95(119-9)70(42-57)124-14/h21-46H,1-20H3


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(c3c(c(c2n1C)c1ccc(s1)SC)c(c(s3)c1c(c(c(c2c(c(c(c3c2nc(c(n3)C)OC)c2c(c(c(s2)c2c(c3c(c4c(c(c3n2C)c2ccc(s2)SC)c(cs4)SC)c2cc(c(s2)C)F)C)F)SC)OC)F)o1)SC)F)SC)c1cc(c(s1)C)F)C)F)SC	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)c(sc2c(c2c1n(C)c(c2C)c1sc(c(c1F)SC)c1c(OC)c(F)c(c2c1nc(C)c(n2)OC)c1occ(c1SC)F)c1cc(c(s1)C)F)c1oc(c(c1F)SC)c1c(F)c(OC)c(c2c1nc(OC)c(n2)C)c1sc(c(c1SC)F)c1c(C)c2c(n1C)c(c1ccc(s1)SC)c1c(c2c2cc(c(s2)C)F)scc1SC	


key: InChI
value:
  InChI=1S/C88H68F8N6O6S16/c1-29-45-49(40-25-35(89)33(5)118-40)76-51(42(109-13)28-117-76)47(38-21-23-43(110-14)120-38)68(45)101(7)66(29)81-60(95)85(116-20)80(124-81)56-65-63(100-88(106-12)32(4)98-65)54(58(93)71(56)104-10)73-83(114-18)59(94)74(108-73)86-78(113-17)52-48(39-22-24-44(111-15)121-39)69-46(50(77(52)122-86)41-26-36(90)34(6)119-41)30(2)67(102(69)8)82-61(96)84(115-19)79(123-82)55-64-62(99-87(105-11)31(3)97-64)53(57(92)70(55)103-9)72-75(112-16)37(91)27-107-72/h21-28H,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)c1c(c2c(cc(o2)c2c(c3c(c(c(c4c(c(c(c5c4nc(cn5)SC)c4c(c5c(s4)cc(n5C)c4c(c5c(cco5)n4C)OC)SC)F)SC)o3)OC)s2)F)n1C)OC)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c1oc3c(c1OC)sc(c3F)c1cc3c(o1)c(c(n3C)c1cc3c(n1C)c(c(s3)c1c(F)c(SC)c(c3c1ncc(n3)SC)c1oc3c(c1OC)scc3F)SC)OC)c(c(c2c1sc2c(c1SC)n(c(c2)c1n(C)c2c(c1OC)occ2)C)F)SC	


key: InChI
value:
  InChI=1S/C66H50F4N8O8S10/c1-75-24-15-16-83-49(24)54(79-5)44(75)25-18-29-46(76(25)2)63(91-13)62(94-29)34-38(69)60(90-12)36(43-41(34)72-21-32(74-43)88-10)52-57(82-8)66-53(86-52)39(70)58(96-66)28-17-27-50(84-28)55(80-6)45(78(27)4)26-19-30-47(77(26)3)64(92-14)61(95-30)33-37(68)59(89-11)35(42-40(33)71-20-31(73-42)87-9)51-56(81-7)65-48(85-51)23(67)22-93-65/h15-22H,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)c1sc2c(c(c3c(c2OC)c(c(n3C)c2c(c3c(c(c(c4c(c(c(c5c4nc(cn5)SC)c4cc5c(s4)c(c(n5C)c4sc5c(c(c6c(c5OC)c(cn6C)C)OC)c4C)C)OC)C)n3C)C)o2)OC)C)OC)c1C)C	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1cc2c(s1)c(c(n2C)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cn1C)C)OC)C)c1n(C)c2c(c1C)oc(c2OC)c1n(C)c2c(c1C)c(OC)c1c(c2OC)c(C)c(s1)c1n(C)c2c(c1C)sc(c2)c1c(OC)c(C)c(c2c1ncc(n2)SC)c1n(C)c2c(c1C)occ2OC	


key: InChI
value:
  InChI=1S/C86H84N10O10S6/c1-33-31-91(11)68-50(33)77(102-22)85-54(75(68)100-20)37(5)83(111-85)65-41(9)81-43(92(65)12)27-47(110-81)57-59-61(90-49(108-26)30-88-59)52(36(4)72(57)99-19)63-40(8)74-70(95(63)15)79(104-24)80(106-74)64-34(2)53-69(96(64)16)76(101-21)55-38(6)84(112-86(55)78(53)103-23)66-42(10)82-44(93(66)13)28-46(109-82)56-58-60(89-48(107-25)29-87-58)51(35(3)71(56)98-18)62-39(7)73-67(94(62)14)45(97-17)32-105-73/h27-32H,1-26H3


key: SMILES
value:
  c1(c(c(c(c2c1ncc(n2)SC)c1c(c2c(c(co2)OC)n1C)C)C)OC)c1cc2c(s1)c(c(n2C)c1oc2c3sc(cc3[GeH2]c2c1)c1c(c2c(c(c(c3c(c(c(c4c3nc(cn4)SC)c3cc4c(s3)c(c(n4C)c3oc4c5sccc5[GeH2]c4c3)C)OC)C)n2C)C)o1)OC)C	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1cc2c(s1)c(c(n2C)c1cc2c(o1)c1c([GeH2]2)ccs1)C)OC)C)c1n(C)c2c(c1C)oc(c2OC)c1cc2c(s1)c1c([GeH2]2)cc(o1)c1n(C)c2c(c1C)sc(c2)c1c(OC)c(C)c(c2c1ncc(n2)SC)c1n(C)c2c(c1C)occ2OC	


key: InChI
value:
  InChI=1S/C72H62Ge2N8O8S6/c1-27-47(57-29(3)63-59(81(57)9)41(83-11)26-87-63)53-51(75-24-45(77-53)91-15)49(61(27)84-12)42-23-38-70(95-42)32(6)56(80(38)8)40-20-35-66(89-40)72-36(74-35)21-44(96-72)67-68(86-14)60-64(90-67)30(4)58(82(60)10)48-28(2)62(85-13)50(52-54(48)78-46(92-16)25-76-52)43-22-37-69(94-43)31(5)55(79(37)7)39-19-34-65(88-39)71-33(73-34)17-18-93-71/h17-26H,73-74H2,1-16H3


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)c1c(c(c(n1C)c1oc2c(c(c3c(c2C)c(c(o3)c2c(c(c(c3cc(c(c4c3nsn4)c3c(c(c(n3C)c3oc4c(c(c5c(c4C)c(co5)C)C)c3F)C)SC)C)o2)F)SC)C)C)c1F)C)SC	


key: CAN_SMILES
value:
  CSc1c(oc(c1F)c1cc(C)c(c2c1nsn2)c1c(SC)c(c(n1C)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1)C)c1oc2c(c1C)c(C)c1c(c2C)c(F)c(o1)c1c(C)c(c(n1C)c1c(C)cc(c2c1nsn2)c1occ(c1F)SC)SC	


key: InChI
value:
  InChI=1S/C64H52F4N6O6S6/c1-21-17-31(57-40(65)33(81-13)20-76-57)44-46(71-85-69-44)35(21)50-62(82-14)30(10)49(74(50)12)60-42(67)39-28(8)53-37(25(5)55(39)79-60)26(6)56(77-53)61-64(84-16)43(68)58(80-61)32-18-22(2)36(47-45(32)70-86-72-47)51-63(83-15)29(9)48(73(51)11)59-41(66)38-27(7)52-34(23(3)19-75-52)24(4)54(38)78-59/h17-20H,1-16H3


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)c1c(c(c(n1C)c1sc2c(c(c3c(c2OC)c(c(n3C)c2c(c(c(c3cc(c(c4c3nsn4)c3c(c(c(n3C)c3sc4c(c(c5c(c4OC)c(cn5C)C)OC)c3C)C)SC)C)o2)F)SC)C)OC)c1C)C)SC	


key: CAN_SMILES
value:
  CSc1coc(c1F)c1cc(C)c(c2c1nsn2)c1n(C)c(c(c1SC)C)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)c(n1C)c1oc(c(c1SC)F)c1cc(C)c(c2c1nsn2)c1n(C)c(c(c1SC)C)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cn1C	


key: InChI
value:
  InChI=1S/C68H64F2N8O6S8/c1-25-21-33(55-42(69)35(85-17)24-83-55)44-46(73-91-71-44)36(25)53-62(86-18)32(8)50(78(53)12)65-30(6)41-58(80-14)52-39(60(82-16)67(41)90-65)28(4)48(76(52)10)61-68(88-20)43(70)56(84-61)34-22-26(2)37(47-45(34)72-92-74-47)54-63(87-19)31(7)49(77(54)11)64-29(5)40-57(79-13)51-38(27(3)23-75(51)9)59(81-15)66(40)89-64/h21-24H,1-20H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)OC)c1c(c(co1)C)SC)OC)C)c1c(c(c(o1)c1sc2c(c(c3c(c2OC)c(c(n3C)c2c(c(c(c3c(c(c(c4c3nc(c(n4)OC)C)c3c(c(c(o3)c3sc4c(c(c5c(c4OC)c(cn5C)C)OC)c3C)F)C)C)OC)o2)SC)C)C)OC)c1C)F)C	


key: CAN_SMILES
value:
  COc1nc2c(nc1C)c(c(c(c2c1oc(c(c1C)F)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cn1C)C)OC)c1oc(c(c1SC)C)c1n(C)c2c(c1C)c(OC)c1c(c2OC)c(C)c(s1)c1oc(c(c1F)C)c1c(C)c(OC)c(c2c1nc(OC)c(n2)C)c1occ(c1SC)C	


key: InChI
value:
  InChI=1S/C76H74F2N6O12S4/c1-27-25-83(13)54-39(27)63(89-19)73-43(61(54)87-17)32(6)71(99-73)67-47(77)35(9)59(95-67)41-31(5)57(86-16)46(52-50(41)82-76(92-22)38(12)80-52)66-70(98-24)36(10)60(96-66)53-29(3)42-55(84(53)14)62(88-18)44-33(7)72(100-74(44)64(42)90-20)68-48(78)34(8)58(94-68)40-30(4)56(85-15)45(65-69(97-23)28(2)26-93-65)51-49(40)81-75(91-21)37(11)79-51/h25-26H,1-24H3


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)C)o5)n4C)F)F)SC)SC)s3)OC)F)C)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)C)F)c1oc2c(c1C)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/C62H46F8N8O6S6/c1-19-17-81-52-43-26(82-47(19)52)15-24(75(43)5)41-32(64)34(66)46(77(41)7)29-38-40(72-22(4)62(70)74-38)31(59(88-14)57(29)86-12)55-51(80-10)36(68)60(90-55)49-20(2)48-53(84-49)44-27(83-48)16-25(76(44)6)42-33(65)35(67)45(78(42)8)28-37-39(71-21(3)61(69)73-37)30(58(87-13)56(28)85-11)54-50(79-9)23(63)18-89-54/h15-18H,1-14H3


key: SMILES
value:
  c1(c(c(c(c2c1nccn2)c1c(c(co1)SC)SC)F)F)c1c(c(c(n1C)c1sc2c(c(c3c(c2OC)c(c(n3C)c2c(c(c(c3c(c(c(c4c3nccn4)c3c(c(c(n3C)c3sc4c(c(c5c(c4OC)c(cn5C)C)OC)c3C)OC)C)F)F)o2)SC)SC)C)OC)c1C)OC)C	


key: CAN_SMILES
value:
  CSc1coc(c1SC)c1c(F)c(F)c(c2c1nccn2)c1n(C)c(c(c1C)OC)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)c(n1C)c1oc(c(c1SC)SC)c1c(F)c(F)c(c2c1nccn2)c1n(C)c(c(c1C)OC)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cn1C	


key: InChI
value:
  InChI=1S/C72H66F4N8O8S6/c1-27-25-81(7)53-34(27)61(89-15)69-36(59(53)87-13)29(3)66(97-69)55-57(85-11)32(6)51(83(55)9)39-43(74)45(76)41(49-47(39)78-22-24-80-49)64-71(95-19)72(96-20)65(92-64)52-28(2)35-54(84(52)10)60(88-14)37-30(4)67(98-70(37)62(35)90-16)56-58(86-12)31(5)50(82(56)8)38-42(73)44(75)40(48-46(38)77-21-23-79-48)63-68(94-18)33(93-17)26-91-63/h21-26H,1-20H3


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(c(c(o2)c2c(c3c(c(c(c4cc(c(c5c4nc(c(n5)C)F)c4cc5c(o4)c(c(s5)c4c(c5c(c(co5)OC)n4C)OC)SC)SC)o3)C)n2C)SC)OC)n1C)OC)SC	


key: CAN_SMILES
value:
  COc1c2c(oc1c1c(SC)c3c(n1C)c(c(o3)c1cc(SC)c(c3c1nc(F)c(n3)C)c1cc3c(o1)c(c(s3)c1c(OC)c3c(n1C)c(co3)OC)SC)C)c(c(n2C)c1sc2c(c1SC)oc(c2)c1c(SC)cc(c2c1nc(C)c(n2)F)c1oc2c(c1C)n(cc2SC)C)OC	


key: InChI
value:
  InChI=1S/C70H60F2N8O10S8/c1-25-45-54(38(93-15)23-77(45)5)88-52(25)29-19-34(91-13)39(43-41(29)75-69(71)27(3)73-43)32-22-37-56(87-32)68(96-18)66(98-37)50-59(84-12)61-48(80(50)8)57(82-10)62(90-61)51-64(94-16)63-46(78(51)6)26(2)53(89-63)30-20-35(92-14)40(44-42(30)76-70(72)28(4)74-44)31-21-36-55(86-31)67(95-17)65(97-36)49-58(83-11)60-47(79(49)7)33(81-9)24-85-60/h19-24H,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)c1sc2c(c(c3c(c2c2cc(c(cc2)OC)C)cc(n3C)c2c(c(c(c3c(c(c(c4c3nc(c(n4)C)OC)c3c(c(c(s3)c3sc4c(c(c5c(c4c4cc(c(cc4)OC)C)ccn5C)c4cc(c(c(c4)F)OC)F)c3SC)F)SC)OC)F)o2)SC)F)c2cc(c(c(c2)F)OC)F)c1SC)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)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)ccn1C)c1cc2c(n1C)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)sc(c1SC)c1sc(c(c1F)SC)c1c(OC)c(F)c(c2c1nc(C)c(n2)OC)c1occ(c1SC)F	


key: InChI
value:
  InChI=1S/C96H74F10N6O10S10/c1-35-27-39(21-23-51(35)113-7)53-43-25-26-111(5)72(43)55(41-29-45(97)74(115-9)46(98)30-41)57-82(53)129-93(84(57)124-16)91-66(105)90(128-20)87(132-91)62-71-69(110-96(120-14)38(4)108-71)60(64(103)78(62)118-12)80-88(126-18)65(104)76(122-80)50-33-44-54(40-22-24-52(114-8)36(2)28-40)83-58(56(73(44)112(50)6)42-31-47(99)75(116-10)48(100)32-42)85(125-17)94(130-83)92-67(106)89(127-19)86(131-92)61-70-68(109-95(119-13)37(3)107-70)59(63(102)77(61)117-11)79-81(123-15)49(101)34-121-79/h21-34H,1-20H3


key: SMILES
value:
  c1(c(c(c(c2c1ncc(n2)SC)c1c(c2c(c(co2)OC)n1C)C)C)OC)c1cc2c(s1)c(c(n2C)c1cc(c(c2c(cc(s2)c2c(c3c(c(c(c4c(c(c(c5c4nc(cn5)SC)c4cc5c(s4)c(c(n5C)c4cc(c(c5c(ccs5)SC)o4)C)C)OC)C)n3C)C)o2)OC)SC)o1)C)C	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1cc2c(s1)c(c(n2C)c1cc(c(o1)c1sccc1SC)C)C)OC)C)c1n(C)c2c(c1C)oc(c2OC)c1cc(c(s1)c1oc(cc1C)c1n(C)c2c(c1C)sc(c2)c1c(OC)c(C)c(c2c1ncc(n2)SC)c1n(C)c2c(c1C)occ2OC)SC	


key: InChI
value:
  InChI=1S/C76H70N8O8S8/c1-31-23-41(90-65(31)75-44(93-17)21-22-97-75)59-37(7)73-39(81(59)9)25-46(98-73)54-56-58(80-50(96-20)29-78-56)52(34(4)68(54)87-15)62-36(6)70-64(84(62)12)72(88-16)71(92-70)47-27-48(94-18)76(100-47)66-32(2)24-42(91-66)60-38(8)74-40(82(60)10)26-45(99-74)53-55-57(79-49(95-19)28-77-55)51(33(3)67(53)86-14)61-35(5)69-63(83(61)11)43(85-13)30-89-69/h21-30H,1-20H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(cs2)F)C)F)C)c1c(c2c(cc(s2)c2ccc(c3cc(c(n3C)c3c(c4c(c(c(c5c(c(c(c6c5nsn6)c5c(c6c(cc(s6)c6ccc(c7cc(cn7C)OC)o6)n5C)OC)C)F)o4)C)s3)F)OC)o2)n1C)OC	


key: CAN_SMILES
value:
  COc1cc(n(c1c1sc2c(c1F)oc(c2C)c1c(F)c(C)c(c2c1nsn2)c1c(OC)c2c(n1C)cc(s2)c1ccc(o1)c1cc(cn1C)OC)C)c1ccc(o1)c1sc2c(c1)n(c(c2OC)c1c(C)c(F)c(c2c1nsn2)c1oc2c(c1C)scc2F)C	


key: InChI
value:
  InChI=1S/C64H46F4N8O8S6/c1-23-40(47-49(71-89-69-47)42(44(23)66)54-25(3)60-56(83-54)28(65)22-85-60)52-59(80-12)63-32(76(52)8)20-39(87-63)36-16-14-34(82-36)30-18-37(78-10)51(74(30)6)64-46(68)57-61(88-64)26(4)55(84-57)43-45(67)24(2)41(48-50(43)72-90-70-48)53-58(79-11)62-31(75(53)7)19-38(86-62)35-15-13-33(81-35)29-17-27(77-9)21-73(29)5/h13-22H,1-12H3


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)F)F)c(c(s3)c2cc(c(c3c2nc(c(n3)c2cc(ccc2)F)c2cc(c(c(c2)SC)OC)SC)c2oc3c(c(c4c(c3c3cc(c(c(c3)C)F)F)c(cs4)OC)c3ccc(cc3)C)c2C)F)OC)c2ccc(cc2)C)c1C	


key: CAN_SMILES
value:
  COc1c(SC)cc(cc1SC)c1nc2c(cc(c(c2nc1c1cccc(c1)F)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1)F)c1sc2c(c1OC)c(c1cc(C)c(c(c1)F)F)c1c(c2c2ccc(cc2)C)c(C)c(o1)c1c(F)ccc2c1nc(c1cccc(c1)F)c(n2)c1cc(SC)c(c(c1)SC)OC	


key: InChI
value:
  InChI=1S/C98H70F8N4O6S6/c1-43-21-25-49(26-22-43)74-70-47(5)90(116-93(70)72(78-65(111-7)42-121-97(74)78)53-31-45(3)80(105)62(103)35-53)77-61(102)41-59(86-88(77)110-83(52-18-16-20-58(100)34-52)85(108-86)56-39-68(119-13)92(113-9)69(40-56)120-14)96-95(114-10)79-73(54-32-46(4)81(106)63(104)36-54)94-71(75(98(79)122-96)50-27-23-44(2)24-28-50)48(6)89(115-94)76-60(101)29-30-64-87(76)109-82(51-17-15-19-57(99)33-51)84(107-64)55-37-66(117-11)91(112-8)67(38-55)118-12/h15-42H,1-14H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1c(cc(c2c(cc(s2)c2c(c3c(c(c(c4c(c(c(c5c4nsn5)c4c(c5c(o4)c(c(n5C)c4c(cc(c5c(ccs5)C)s4)OC)C)C)SC)C)o3)OC)o2)F)C)s1)OC)C)C	


key: CAN_SMILES
value:
  COc1c2oc(c(c2oc1c1c(C)c(SC)c(c2c1nsn2)c1oc2c(c1C)n(c(c2C)c1sc(cc1OC)c1sccc1C)C)F)c1cc(c(s1)c1cc(c(s1)c1c(C)c2c(n1C)c(c(o2)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)C)OC)C	


key: InChI
value:
  InChI=1S/C68H54F2N6O10S8/c1-23-17-18-89-63(23)35-20-32(77-11)67(91-35)48-29(7)52-46(75(48)9)27(5)51(82-52)40-45-43(72-94-74-45)38(26(4)66(40)88-16)57-60(80-14)62-58(86-57)41(70)55(85-62)34-19-24(2)64(90-34)36-21-33(78-12)68(92-36)49-30(8)53-47(76(49)10)28(6)50(83-53)39-44-42(71-93-73-44)37(25(3)65(39)87-15)56-59(79-13)61-54(84-56)31(69)22-81-61/h17-22H,1-16H3


key: SMILES
value:
  c1(cc(c(c2nn(nc12)C)c1c(c2c(c(cn2C)OC)n1C)SC)F)c1c(c2c(o1)c(c(n2C)c1cc2c(c3c(c(c(o3)c3c(c4c(c(c(c5c(cc(c6c5nn(n6)C)c5c(c6c(o5)c(c(n6C)c5cc6c(c7c(c(co7)F)o6)s5)F)SC)F)n4C)SC)n3C)OC)F)o2)s1)F)SC	


key: CAN_SMILES
value:
  COc1c(c2oc3c(c2F)oc2c3sc(c2)c2c(F)c3c(n2C)c(c(o3)c2cc(F)c(c3c2nn(n3)C)c2n(C)c3c(c2SC)n(cc3OC)C)SC)n(c2c1n(C)c(c2SC)c1c(F)cc(c2c1nn(n2)C)c1oc2c(c1SC)n(c(c2F)c1cc2c(s1)c1c(o2)c(co1)F)C)C	


key: InChI
value:
  InChI=1S/C66H48F6N12O8S6/c1-77-19-28(85-9)40-46(77)63(93-11)43(78(40)2)31-23(67)15-21(36-38(31)75-83(7)73-36)51-66(96-14)50-55(91-51)34(71)42(80(50)4)30-18-27-62(98-30)60-57(89-27)35(72)56(92-60)48-58(86-10)45-47(82(48)6)64(94-12)44(81(45)5)32-24(68)16-22(37-39(32)76-84(8)74-37)52-65(95-13)49-54(90-52)33(70)41(79(49)3)29-17-26-61(97-29)59-53(88-26)25(69)20-87-59/h15-20H,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: 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:
  CSc1cc(cc(c1SC)C)c1nc2c(cc(c(c2nc1c1cc(C)c(c(c1)F)OC)c1sc2c(c1C)oc(c2SC)c1sc(cc1C)c1c(SC)ccn1C)OC)c1cc2c(s1)cc(s2)c1cc(c(n1C)c1cc(c(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)C)SC	


key: InChI
value:
  InChI=1S/C102H86F2N6O6S16/c1-43-27-51(33-57(103)87(43)113-13)77-79(53-29-45(3)93(121-19)73(35-53)119-17)105-81-55(64-40-67-62(126-64)24-26-125-67)37-60(111-11)75(83(81)107-77)97-50(8)90-102(132-97)100(124-22)92(116-90)96-48(6)32-72(130-96)86-70(118-16)39-59(110(86)10)66-42-69-68(128-66)41-65(127-69)56-38-61(112-12)76(98-49(7)89-101(131-98)99(123-21)91(115-89)95-47(5)31-71(129-95)85-63(117-15)23-25-109(85)9)84-82(56)106-80(54-30-46(4)94(122-20)74(36-54)120-18)78(108-84)52-28-44(2)88(114-14)58(104)34-52/h23-42H,1-22H3


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/C100H78F2N6O10S14/c1-39-23-45(27-51(101)81(39)111-11)71-73(47-25-41(3)92(122-16)66(29-47)119-13)103-75-49(60-35-62-59(128-60)21-22-127-62)31-55(109-9)69(77(75)105-71)94-44(6)84-100(132-94)98(126-20)86(117-84)54-34-58-80(108(54)8)90-91(115-58)96(124-18)88(118-90)65-37-64-63(130-65)36-61(129-64)50-32-56(110-10)70(95-43(5)83-99(131-95)97(125-19)85(116-83)53-33-57-79(107(53)7)89-87(114-57)68(121-15)38-113-89)78-76(50)104-74(48-26-42(4)93(123-17)67(30-48)120-14)72(106-78)46-24-40(2)82(112-12)52(102)28-46/h21-38H,1-20H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C126H100F4N6O14S16/c1-49-31-57(35-65(127)103(49)141-15)95-97(59-33-51(3)115(155-23)85(37-59)153-21)131-99-62(78-46-80-75(161-78)28-30-159-80)39-69(137-11)91(101(99)133-95)117-54(6)106-124(165-117)122(158-26)114(148-106)112-110(144-18)94-90(68-43-74(140-14)126(130)136(68)10)120-64(88(108(94)150-112)72-45-77(152-20)56(8)146-72)41-81(164-120)83-48-84-82(163-83)47-79(162-84)63-40-70(138-12)92(102-100(63)132-98(60-34-52(4)116(156-24)86(38-60)154-22)96(134-102)58-32-50(2)104(142-16)66(128)36-58)118-53(5)105-123(166-118)121(157-25)113(147-105)111-109(143-17)93-89(67-42-73(139-13)125(129)135(67)9)119-61(27-29-160-119)87(107(93)149-111)71-44-76(151-19)55(7)145-71/h27-48H,1-26H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C102H82F6N10O12S10Se2/c1-37-25-39(31-54(131-17)78(37)119-7)62-64(41-27-43(103)80(121-9)44(104)28-41)113-68-59(84(123-11)91(133-19)57(66(68)111-62)73-86(125-13)95-70(115(73)3)47(107)36-137-95)93-89(128-16)77-100(140-93)98(136-22)72(117(77)5)53-34-50-83(130-53)102-51(110-50)35-56(142-102)90-61(108)75-96(138-90)87(126-14)74(118(75)6)58-67-69(114-65(42-29-45(105)81(122-10)46(106)30-42)63(112-67)40-26-38(2)79(120-8)55(32-40)132-18)60(85(124-12)92(58)134-20)94-88(127-15)76-99(139-94)97(135-21)71(116(76)4)52-33-49-82(129-52)101-48(109-49)23-24-141-101/h23-36,109-110H,1-22H3


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)c1sc2c(c(c3c(c2OC)c(c(n3C)c2c(c(c(c3c(c(c(c4c3nc(c(n4)c3ccc(c(c3)SC)F)c3ccc(cc3)SC)c3c(c(c(n3C)c3sc4c(c(c5c(c4OC)c(cn5C)C)OC)c3C)OC)F)F)SC)o2)F)SC)C)OC)c1C)OC)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C98H82F8N8O8S10/c1-39-37-111(5)79-54(39)87(117-11)96-56(85(79)115-9)41(3)92(131-96)81-89(119-13)66(105)78(114(81)8)59-64(103)95(129-21)61(75-73(59)110-71(46-28-34-50(100)52(36-46)126-18)69(108-75)44-25-31-48(124-16)32-26-44)84-67(106)98(130-22)91(122-84)76-40(2)55-80(112(76)6)86(116-10)57-42(4)93(132-97(57)88(55)118-12)82-90(120-14)65(104)77(113(82)7)58-63(102)94(128-20)60(83-62(101)53(127-19)38-121-83)74-72(58)109-70(45-27-33-49(99)51(35-45)125-17)68(107-74)43-23-29-47(123-15)30-24-43/h23-38H,1-22H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C108H84F12N10O12S10/c1-37-25-39(31-53(143-19)86(37)131-9)67-69(41-27-45(109)88(133-11)46(110)28-41)123-73-59(90(135-13)98(145-21)57(71(73)121-67)78-94(137-15)103-77(127(78)5)50(114)36-149-103)100-97(140-18)85-108(150-100)106(148-24)83(130(85)8)93-65(119)56-52(142-93)34-44-61(115)80(126(4)76(44)63(56)117)102-66(120)81-104(152-102)95(138-16)79(128(81)6)58-72-74(124-70(42-29-47(111)89(134-12)48(112)30-42)68(122-72)40-26-38(2)87(132-10)54(32-40)144-20)60(91(136-14)99(58)146-22)101-96(139-17)84-107(151-101)105(147-23)82(129(84)7)92-64(118)55-51(141-92)33-43-49(113)35-125(3)75(43)62(55)116/h25-36H,1-24H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C112H98F4N8O12S6/c1-43-29-57(30-44(2)47(43)5)75-79-67(125-19)41-132-99(79)77(59-33-61(113)49(7)62(114)34-59)83-101(75)134-105(111(83)139-27)91-55(13)109-65(121(91)15)37-70(142-109)81-86-88(120-72(138-26)40-118-86)74(52(10)96(81)128-22)90-54(12)98-94(124(90)18)104(130-24)108(133-98)107-103(129-23)82-76(58-31-45(3)48(6)46(4)32-58)102-84(78(100(82)136-107)60-35-63(115)50(8)64(116)36-60)112(140-28)106(135-102)92-56(14)110-66(122(92)16)38-69(141-110)80-85-87(119-71(137-25)39-117-85)73(51(9)95(80)127-21)89-53(11)97-93(123(89)17)68(126-20)42-131-97/h29-42H,1-28H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C94H68F10N4O10S8/c1-33-19-23-41(24-20-33)53-49-37(5)72(116-74(49)51(55-48(109-9)32-123-83(53)55)43-27-35(3)61(98)45(95)29-43)88-66(103)91(122-18)86(126-88)60-71-69(108-94(114-14)40(8)106-71)58(64(101)77(60)111-11)80-87(120-16)65(102)81(118-80)92-78(112-12)56-52(44-28-36(4)62(99)46(96)30-44)75-50(54(84(56)124-92)42-25-21-34(2)22-26-42)38(6)73(117-75)89-67(104)90(121-17)85(125-89)59-70-68(107-93(113-13)39(7)105-70)57(63(100)76(59)110-10)79-82(119-15)47(97)31-115-79/h19-32H,1-18H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C66H56F2N8O10S6/c1-21-20-89-65-39(21)73(9)45(56(65)77-13)40-24(4)49-42(74(40)10)26(6)47(82-49)33-38-36(70-92-72-38)31(23(3)63(33)88-18)53-59(80-16)61-54(85-53)34(68)55(86-61)64-28(8)44-66(90-64)57(78-14)46(76(44)12)41-25(5)50-43(75(41)11)27(7)48(83-50)32-37-35(69-91-71-37)30(22(2)62(32)87-17)52-58(79-15)60-51(84-52)29(67)19-81-60/h19-20H,1-18H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C58H50F4N8O2S10/c1-23-17-27(51-39(61)36(75-11)22-71-51)41-43(65-81-63-41)37(23)49-55(77-13)26(4)46(70(49)8)33-21-35(74-10)57(80-33)48-30(60)19-31(68(48)6)53-58(78-14)40(62)52(72-53)28-18-24(2)38(44-42(28)64-82-66-44)50-54(76-12)25(3)45(69(50)7)32-20-34(73-9)56(79-32)47-29(59)15-16-67(47)5/h15-22H,1-14H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C100H66F8O12S4Se4/c1-35-17-45(18-36(2)41(35)7)68-72-63(115-13)33-117-84(72)70(47-23-54(102)43(9)55(103)24-47)78-86(68)119-90(94(78)121-15)92-59(107)31-65(124-92)98-74-76(83(112)53-29-62(114-12)40(6)22-51(53)81(74)110)100(128-98)67-32-60(108)96(126-67)89-88(116-14)77-69(46-19-37(3)42(8)38(4)20-46)87-79(71(85(77)118-89)48-25-56(104)44(10)57(105)26-48)95(122-16)91(120-87)93-58(106)30-64(123-93)97-73-75(99(127-97)66-27-49(101)34-125-66)82(111)52-28-61(113-11)39(5)21-50(52)80(73)109/h17-34H,1-16H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1c(oc(c1SC)c1c(F)c(F)c(c2c1nccn2)c1n(C)c(c(c1C)OC)c1c(OC)c2c(n1C)c(c1ccc(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)OC)SC)scc1SC)c1sc2c(c1SC)c(c1ccc(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)OC)SC)c(OC)c(n1C)c1c(OC)c(c(n1C)c1c(F)c(F)c(c2c1nccn2)c1occ(c1SC)SC)C	


key: InChI
value:
  InChI=1S/C100H88F6N8O8S10/c1-41-25-27-47(33-43(41)3)57-61-56(124-18)40-131-95(61)59(49-35-51(101)92(125-19)53(37-49)115-11)62-79(57)113(9)83(87(62)119-15)81-85(117-13)46(6)78(112(81)8)66-70(104)72(106)68(76-74(66)108-30-32-110-76)90-98(129-23)99(130-24)91(122-90)100-97(128-22)64-58(48-28-26-42(2)44(4)34-48)80-63(60(96(64)132-100)50-36-52(102)93(126-20)54(38-50)116-12)88(120-16)84(114(80)10)82-86(118-14)45(5)77(111(82)7)65-69(103)71(105)67(75-73(65)107-29-31-109-75)89-94(127-21)55(123-17)39-121-89/h25-40H,1-24H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C108H94F6N10O8S10/c1-39-29-51(30-40(2)43(39)5)63-67-59(125-19)38-127-88(67)65(53-33-55(109)45(7)56(110)34-53)69-90(63)131-94(100(69)134-22)86-49(11)98-96(128-86)107(139-27)103(141-98)72-74(114)48(10)62(76-78(72)118-124(18)116-76)81-105(137-25)83-84(121(81)15)106(138-26)85(122(83)16)93-92(126-20)68-64(52-31-41(3)44(6)42(4)32-52)91-70(66(89(68)130-93)54-35-57(111)46(8)58(112)36-54)101(135-23)95(132-91)87-50(12)99-97(129-87)108(140-28)102(142-99)71-73(113)47(9)61(75-77(71)117-123(17)115-75)80-104(136-24)82-79(120(80)14)60(133-21)37-119(82)13/h29-38H,1-28H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C88H66F6N6O10S8/c1-35-26-39(19-21-43(35)89)60-62(41-30-45(91)68(103-9)51(32-41)101-7)97-66-57(81(111-13)72(105-11)55(64(66)95-60)48-18-17-25-99(48)5)53-29-38(4)80(116-53)88-86(114-16)78-84(118-88)76-74(110-78)59(94)71(109-76)50-24-23-49(100(50)6)56-65-67(98-63(42-31-46(92)69(104-10)52(33-42)102-8)61(96-65)40-20-22-44(90)36(2)27-40)58(82(112-14)73(56)106-12)54-28-37(3)79(115-54)87-85(113-15)77-83(117-87)75-70(108-77)47(93)34-107-75/h17-34H,1-16H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C60H44F6N4O8S8/c1-21-18-26(28-14-13-17-83-28)76-44(21)55-38(65)57(81-11)53(85-55)34-43-41(70-60(74-8)24(4)68-43)32(36(63)48(34)72-6)50-54(80-10)37(64)46(78-50)30-16-15-29(84-30)27-19-22(2)45(77-27)56-39(66)58(82-12)52(86-56)33-42-40(69-59(73-7)23(3)67-42)31(35(62)47(33)71-5)49-51(79-9)25(61)20-75-49/h13-20H,1-12H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C102H88F2N8O8S12/c1-45-29-51(33-58(103)89(45)117-15)80-82(53-31-47(3)95(123-19)76(35-53)121-17)105-84-56(70-41-72-69(128-70)27-28-127-72)38-66(114-12)78(86(84)107-80)97-50(6)92-102(132-97)100(126-22)94(120-92)63-26-24-61(111(63)9)65-40-68(116-14)88(112(65)10)75-43-74-73(130-75)42-71(129-74)57-39-67(115-13)79(98-49(5)91-101(131-98)99(125-21)93(119-91)62-25-23-60(110(62)8)64-37-55(113-11)44-109(64)7)87-85(57)106-83(54-32-48(4)96(124-20)77(36-54)122-18)81(108-87)52-30-46(2)90(118-16)59(104)34-52/h23-44H,1-22H3


key: SMILES
value:
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key: InChI
value:
  InChI=1S/C40H34F2N6O6S2/c1-47-18-19(49-3)13-21(47)23-9-11-26(53-23)32-35(42)40(52-6)33(38-37(32)44-17-30(46-38)56-8)39-28(51-5)15-22(48(39)2)24-10-12-25(54-24)31-34(41)27(50-4)14-20-36(31)43-16-29(45-20)55-7/h9-18H,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)c1c(c2c(c3c(cc2n1C)c(c(s3)c1c(c2c(c(c(c3c(c(c(c4c3nc(c(n4)c3cc(cc(c3)C)C)c3ccc(c(c3)OC)C)c3cc4c(s3)c(c(n4C)c3c(c4c(c5c(cc4n3C)c(cs5)F)SC)SC)F)SC)C)n2C)F)s1)SC)F)SC)SC)F	


key: CAN_SMILES
value:
  CSc1c(c2cc3c(s2)c(c(n3C)c2n(C)c3c(c2SC)c(SC)c2c(c3)c(F)cs2)F)c2nc(c3cc(C)cc(c3)C)c(nc2c(c1C)c1n(C)c2c(c1F)sc(c2SC)c1sc2c(c1F)cc1c(c2SC)c(SC)c(n1C)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)c1ccc(c(c1)OC)C	


key: InChI
value:
  InChI=1S/C108H90F6N10O2S14/c1-43-29-44(2)32-53(31-43)80-78(51-27-25-47(5)62(35-51)125-15)115-82-67(87-74(111)104-86(123(87)13)66(127-17)42-136-104)49(7)94(128-18)71(84(82)117-80)64-40-61-99(137-64)77(114)90(122(61)12)92-101(131-21)70-59(120(92)10)38-56-73(110)106(139-97(56)103(70)133-23)108-107(134-24)93-105(140-108)75(112)88(124(93)14)68-50(8)95(129-19)72(85-83(68)116-79(52-28-26-48(6)63(36-52)126-16)81(118-85)54-33-45(3)30-46(4)34-54)65-39-60-98(138-65)76(113)89(121(60)11)91-100(130-20)69-58(119(91)9)37-55-57(109)41-135-96(55)102(69)132-22/h25-42H,1-24H3


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(c2c2cc(c(c(c2)C)C)C)c(c(o3)c2ccc(c3c(c(c(c4c3nc(c(n4)c3cc(c(c(c3)F)OC)OC)c3ccc(c(c3)C)F)c3cc(c(s3)C3=C([C]4C(=C5[C](C(=C4O3)[C]3C=C([C](C(=C3)C)C)C)C(=CO5)OC)[C]3C=C([C](C(=C3)F)C)F)SC)C)SC)OC)n2C)OC)c2cc(c(c(c2)F)C)F)c1SC)C	


key: CAN_SMILES
value:
  COC1=COC2=C([C]3C(=C([C]12)[C]1C=C(C)[C](C(=C1)C)C)OC(=C3SC)c1sc(cc1C)c1c(SC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)OC)OC)c(n2)c1ccc(c(c1)C)F)c1ccc(n1C)c1oc2c(c1OC)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)F)C)c(SC)c(o1)c1sc(cc1C)c1c(SC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)OC)OC)c(n2)c1ccc(c(c1)C)F)c1cccn1C)[C]1C=C(F)[C](C(=C1)F)C	


key: InChI
value:
  InChI=1S/C126H104F8N6O12S6/c1-53-36-67(37-54(2)61(53)9)89-95-86(143-17)52-149-112(95)91(69-44-75(129)63(11)76(130)45-69)99-114(89)151-119(125(99)155-25)121-59(7)43-88(158-121)97-108-106(136-102(66-30-32-74(128)58(6)41-66)104(138-108)72-49-80(134)110(145-19)85(51-72)142-16)94(118(148-22)124(97)154-24)82-33-34-83(140(82)14)111-116(146-20)98-90(68-38-55(3)62(10)56(4)39-68)115-100(92(113(98)150-111)70-46-77(131)64(12)78(132)47-70)126(156-26)120(152-115)122-60(8)42-87(157-122)96-107-105(93(81-28-27-35-139(81)13)117(147-21)123(96)153-23)135-101(65-29-31-73(127)57(5)40-65)103(137-107)71-48-79(133)109(144-18)84(50-71)141-15/h27-52H,1-26H3


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(cc1)C)C)c(c(s3)c1c(c2c(c(c(c3c(c(c(c4c3nc(cn4)SC)c3c(c4c(s3)cc(n4C)c3c(c4c(c5c(c(c4n3C)c3cc(c(cc3)C)C)c(cs5)SC)c3cc(c(c(c3)F)SC)OC)OC)SC)F)SC)o2)OC)s1)F)SC)c1cc(c(c(c1)F)SC)OC)OC)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c1oc3c(c1OC)sc(c3F)c1sc3c(c1SC)c(c1ccc(c(c1)C)C)c1c(c3c3cc(F)c(c(c3)OC)SC)c(OC)c(n1C)c1cc3c(n1C)c(c(s3)c1c(F)c(SC)c(c3c1ncc(n3)SC)c1oc3c(c1OC)scc3F)SC)c(c(c2c1sc2c(c1SC)n(c(c2)c1c(OC)c2c(n1C)c(c1ccc(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)OC)SC)scc1SC)C)F)SC	


key: InChI
value:
  InChI=1S/C108H88F6N8O8S16/c1-41-25-27-45(29-43(41)3)61-65-58(131-15)40-142-96(65)63(47-31-49(109)94(134-18)54(33-47)123-9)66-84(61)121(7)80(87(66)125-11)52-35-56-82(119(52)5)104(139-23)102(143-56)70-74(113)99(137-21)72(79-77(70)116-38-60(118-79)133-17)90-93(128-14)107-91(130-90)75(114)103(146-107)108-100(138-22)68-62(46-28-26-42(2)44(4)30-46)85-67(64(97(68)145-108)48-32-50(110)95(135-19)55(34-48)124-10)88(126-12)81(122(85)8)53-36-57-83(120(53)6)105(140-24)101(144-57)69-73(112)98(136-20)71(78-76(69)115-37-59(117-78)132-16)89-92(127-13)106-86(129-89)51(111)39-141-106/h25-40H,1-24H3


key: SMILES
value:
  c1(c(c(cc2nonc12)OC)OC)c1sc2c(c(c3c(c2c2cc(c(cc2)OC)C)cc(n3C)c2c(c(c(c3c2non3)c2sc3c(c(c4c(c3c3cc(c(cc3)OC)C)ccn4C)c3cc(c(c(c3)F)OC)F)c2SC)OC)OC)c2cc(c(c(c2)F)OC)F)c1SC	


key: CAN_SMILES
value:
  COc1ccc(cc1C)c1c2sc(c(c2c(c2c1cc(n2C)c1c(OC)c(OC)c(c2c1non2)c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)ccn1C)c1cc(F)c(c(c1)F)OC)SC)c1c(OC)c(OC)cc2c1non2	


key: InChI
value:
  InChI=1S/C70H56F4N6O10S4/c1-29-21-31(15-17-43(29)81-5)46-35-19-20-79(3)58(35)48(33-23-37(71)60(84-8)38(72)24-33)51-65(46)93-70(67(51)91-13)54-57-56(77-90-78-57)50(63(87-11)64(54)88-12)42-27-36-47(32-16-18-44(82-6)30(2)22-32)66-52(49(59(36)80(42)4)34-25-39(73)61(85-9)40(74)26-34)68(92-14)69(94-66)53-55-41(75-89-76-55)28-45(83-7)62(53)86-10/h15-28H,1-14H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(c(cn2C)SC)n1C)SC)C)F)c1c(c2c(s1)c(c(o2)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)cc(s3)c2c(c3c(c(c(c4c(c(c(c5c4nn(n5)C)c4c(c5c(s4)c(c(o5)c4oc5c(c(c6c(c5c5cc(c(o5)C)SC)ccs6)c5cc(c(F)n5C)OC)c4OC)C)SC)F)C)n3C)SC)n2C)SC)c2cc(c(F)n2C)OC)c1OC)C)SC	


key: CAN_SMILES
value:
  CSc1cc(oc1C)c1c2cc(sc2c(c2c1oc(c2OC)c1oc2c(c1C)sc(c2SC)c1c(F)c(C)c(c2c1nn(n2)C)c1n(C)c2c(c1SC)n(cc2SC)C)c1cc(c(n1C)F)OC)c1n(C)c2c(c1SC)n(c(c2SC)c1c(C)c(F)c(c2c1nn(n2)C)c1sc2c(c1SC)oc(c2C)c1oc2c(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)ccs1)C	


key: InChI
value:
  InChI=1S/C98H86F4N12O10S12/c1-35-53(71-93(129-23)73-69(110(71)10)52(127-21)34-107(73)7)65-67(105-113(13)103-65)61(63(35)99)90-96(132-26)85-87(136-90)38(4)77(122-85)83-81(118-18)60-58(44-31-48(116-16)98(102)109(44)9)89-42(56(79(60)124-83)46-33-50(126-20)40(6)120-46)29-51(134-89)70-92(128-22)74-75(111(70)11)94(130-24)72(112(74)12)54-36(2)64(100)62(68-66(54)104-114(14)106-68)91-95(131-25)84-86(135-91)37(3)76(121-84)82-80(117-17)59-57(43-30-47(115-15)97(101)108(43)8)88-41(27-28-133-88)55(78(59)123-82)45-32-49(125-19)39(5)119-45/h27-34H,1-26H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1ccc(cc1)SC)c1ccc(c(c1)SC)F)c1c(c(co1)SC)F)SC)F)c1c(c(c(n1C)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(c(o3)c1c(c(c(c2c(c(c(c3c2nc(c(n3)c2ccc(c(c2)SC)F)[C]2C=C[C](C=C2)SC)c2c(c(c(n2C)C2=C([C]3C(=C4[C](C(=C3N2C)c2cc(c(SC)n2C)SC)C(=CO4)C)c2cc(c(s2)C)C)F)OC)F)F)SC)o1)F)SC)C)c1cc(c(s1)C)C)F)OC)F	


key: CAN_SMILES
value:
  CS[C]1C=C[C](C=C1)c1nc2c(c3oc(c(c3F)SC)c3oc4c(c3C)c(c3cc(c(n3C)SC)SC)c3c(c4c4cc(c(s4)C)C)c(F)c(n3C)c3c(OC)c(c(n3C)c3c(F)c(SC)c(c4c3nc(c3ccc(c(c3)SC)F)c(n4)c3ccc(cc3)SC)c3occ(c3F)SC)F)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)C1=C(F)[C]2C(=C([C]3C(=C2c2cc(c(s2)C)C)OC=C3C)c2cc(c(n2C)SC)SC)N1C)OC)F	


key: InChI
value:
  InChI=1S/C118H98F10N10O6S14/c1-47-39-65(157-51(47)5)74-76-83(122)102(135(9)98(76)72(70-49(3)45-141-107(70)74)61-43-67(149-19)117(155-25)133(61)7)104-111(139-13)88(127)101(138(104)12)79-86(125)115(153-23)81(97-95(79)132-93(56-32-38-60(120)64(42-56)148-18)91(130-97)54-29-35-58(146-16)36-30-54)110-89(128)116(154-24)113(144-110)106-50(4)71-73(62-44-68(150-20)118(156-26)134(62)8)99-77(75(108(71)143-106)66-40-48(2)52(6)158-66)84(123)103(136(99)10)105-112(140-14)87(126)100(137(105)11)78-85(124)114(152-22)80(109-82(121)69(151-21)46-142-109)96-94(78)131-92(55-31-37-59(119)63(41-55)147-17)90(129-96)53-27-33-57(145-15)34-28-53/h27-46H,1-26H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1ccc(c(c1)C)F)c1ccc(c(c1)C)OC)OC)F)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)c(c(o3)c2c(c(c(c3c2nc(c(n3)c2ccc(c(c2)C)OC)c2ccc(c(c2)C)F)c2oc3c(c(c4c(c3c3cc(c(c(c3)C)C)C)c(co4)OC)c3cc(c(c(c3)F)C)F)c2SC)F)OC)OC)c2cc(c(c(c2)F)C)F)c1SC	


key: CAN_SMILES
value:
  COc1cc2nc(c3ccc(c(c3)C)F)c(nc2c(c1F)c1oc2c(c1SC)c(c1cc(F)c(c(c1)F)C)c1c(c2c2cc(C)c(c(c2)C)C)c(OC)c(o1)c1c(OC)c(F)c(c2c1nc(c1ccc(c(c1)C)F)c(n2)c1ccc(c(c1)C)OC)c1oc2c(c1SC)c(c1cc(F)c(c(c1)F)C)c1c(c2c2cc(C)c(c(c2)C)C)c(OC)co1)c1ccc(c(c1)C)OC	


key: InChI
value:
  InChI=1S/C104H82F8N4O10S2/c1-43-29-59(30-44(2)51(43)9)74-78-73(120-16)42-123-94(78)76(61-37-65(107)53(11)66(108)38-61)80-96(74)125-102(103(80)127-19)83-86(112)98(121-17)84(93-92(83)115-90(58-24-28-71(118-14)50(8)36-58)89(116-93)56-22-26-64(106)48(6)34-56)100-99(122-18)79-75(60-31-45(3)52(10)46(4)32-60)97-81(77(95(79)124-100)62-39-67(109)54(12)68(110)40-62)104(128-20)101(126-97)82-85(111)72(119-15)41-69-91(82)114-88(57-23-27-70(117-13)49(7)35-57)87(113-69)55-21-25-63(105)47(5)33-55/h21-42H,1-20H3


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)C)o6)n5C)C)SC)F)C)n4C)SC)n3C)SC)C)o2)n1C)C)SC	


key: CAN_SMILES
value:
  CSc1c(c2oc3c(c2C)oc2c3n(C)c(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(n1C)c1c(o2)c(co1)C)C	


key: InChI
value:
  InChI=1S/C72H64F2N12O6S8/c1-25-24-87-60-46-33(88-55(25)60)21-31(80(46)8)56-29(5)64-62(90-56)71(97-19)67(99-64)39-41(74)27(3)37(43-45(39)78-86(14)76-43)50-69(95-17)52-53(83(50)11)70(96-18)54(84(52)12)58-28(4)59-61(92-58)47-34(89-59)22-32(81(47)9)57-30(6)65-63(91-57)72(98-20)66(100-65)38-40(73)26(2)36(42-44(38)77-85(13)75-42)49-68(94-16)51-48(82(49)10)35(93-15)23-79(51)7/h21-24H,1-20H3


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(cc(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(cco5)n4C)OC)F)SC)C)n3C)F)s2)SC)n1C)OC)F	


key: CAN_SMILES
value:
  CSc1c(c2cc3c(s2)c(c(n3C)c2n(C)c3c(c2OC)occ3)F)c2nc(c3cc(C)cc(c3)C)c(nc2c(c1C)c1n(C)c2c(c1F)sc(c2SC)c1cc2c(o1)c(c(n2C)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)OC)c1ccc(c(c1)OC)C	


key: InChI
value:
  InChI=1S/C98H84F4N10O6S8/c1-41-29-42(2)32-51(31-41)73-71(49-25-23-45(5)57(35-49)113-15)103-75-63(80-67(99)96-79(111(80)13)62(119-19)40-123-96)47(7)91(120-20)65(77(75)105-73)61-39-56-94(125-61)70(102)83(110(56)12)85-90(116-18)88-54(108(85)10)37-59(118-88)95-98(122-22)86-97(126-95)68(100)81(112(86)14)64-48(8)92(121-21)66(60-38-55-93(124-60)69(101)82(109(55)11)84-89(115-17)87-53(107(84)9)27-28-117-87)78-76(64)104-72(50-26-24-46(6)58(36-50)114-16)74(106-78)52-33-43(3)30-44(4)34-52/h23-40H,1-22H3


key: InChI
value:
  InChI=1S/C28H21F2N3O3S5/c1-10-7-12(21-16(30)14(37-4)9-35-21)17-18(32-41-31-17)15(10)20-25(38-5)11(2)19(33(20)3)26-28(39-6)24-27(40-26)23-22(36-24)13(29)8-34-23/h7-9H,1-6H3


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)c1c(c(c(n1C)c1c(c2c(c3c(c(c2n1C)c1ccc(s1)SC)c(cs3)SC)c1cc(c(s1)C)F)C)C)SC	


key: InChI
value:
  InChI=1S/C42H36F2N4OS8/c1-17-13-21(40-33(44)25(50-7)15-49-40)34-35(46-57-45-34)28(17)39-41(53-10)19(3)37(48(39)6)36-18(2)29-31(24-14-22(43)20(4)55-24)42-32(26(51-8)16-54-42)30(38(29)47(36)5)23-11-12-27(52-9)56-23/h11-16H,1-10H3


key: CAN_SMILES
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
  CSC1=C(c2c(C)cc(c3c2nsn3)c2occ(c2F)SC)N2[C@@]([C@H]1C)(C2)c1cc2c([se]1)c1c([nH]2)cc([se]1)c1oc(c(c1SC)F)c1cc(C)c(c2c1nsn2)C1=C(SC)[C@@H]([C@@]2(N1C2)c1cc2c([se]1)c1c([nH]2)cc[se]1)C	


key: InChI
value:
  InChI=1S/C54H40F2N8O2S6Se4/c1-19-11-23(43-35(55)29(67-5)16-65-43)37-39(61-71-59-37)33(19)41-47(69-7)22(4)54(18-64(41)54)32-15-28-52(76-32)51-26(58-28)13-30(74-51)45-48(70-8)36(56)44(66-45)24-12-20(2)34(40-38(24)60-72-62-40)42-46(68-6)21(3)53(17-63(42)53)31-14-27-50(75-31)49-25(57-27)9-10-73-49/h9-16,21-22,57-58H,17-18H2,1-8H3/t21-,22-,53+,54+,63-,64-/m0/s1


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C84H54F8N4O8S10/c1-31-13-35(19-41(15-31)97-5)56-45-25-52(111-76(45)58(54-33(3)29-109-78(54)56)37-17-39(85)23-43(21-37)105-9)50-27-48(88)72(101-50)61-65(91)81(108-12)63(70-68(61)94-104-96-70)83-74(100-8)66(92)84(114-83)75-34(4)55-59(38-18-40(86)24-44(22-38)106-10)77-46(57(79(55)113-75)36-14-32(2)16-42(20-36)98-6)26-53(112-77)51-28-47(87)71(102-51)60-64(90)80(107-11)62(69-67(60)93-103-95-69)82-73(99-7)49(89)30-110-82/h13-30H,1-12H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C68H42F8N4O6S2/c1-27-26-83-60-41(27)64(81-5)66-45(48(60)73)49(74)62(86-66)43-30(4)68(88-8)47(58-57(43)79-53(32-17-13-10-14-18-32)55(80-58)34-20-22-36(70)38(72)24-34)59-29(3)44-63(84-59)51(76)46-50(75)61(85-67(46)65(44)82-6)42-28(2)40(87-7)25-39-56(42)78-52(31-15-11-9-12-16-31)54(77-39)33-19-21-35(69)37(71)23-33/h9-26H,1-8H3


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)c1ccc(c2c(cc(o2)c2cc(c(c3c(c(c(c4c3nc(c(n4)c3cc(c(c(c3)C)F)SC)c3cc(c(c(c3)SC)OC)OC)c3c(c(c(n3C)c3ccc(c4c(cco4)OC)s3)SC)C)OC)C)o2)OC)OC)s1)SC)C	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C96H90F2N6O14S8/c1-43-33-49(37-65(119-19)73(43)97)75-77(51-35-57(107-11)89(113-17)67(39-51)121-21)99-79-69(93-54(106-10)30-32-116-93)45(3)87(111-15)71(81(79)101-75)83-47(5)96(124-24)86(104(83)8)62-26-28-64(126-62)92-59(109-13)41-55(117-92)56-42-60(110-14)94(118-56)70-46(4)88(112-16)72(84-48(6)95(123-23)85(103(84)7)61-25-27-63(125-61)91-53(105-9)29-31-115-91)82-80(70)100-78(52-36-58(108-12)90(114-18)68(40-52)122-22)76(102-82)50-34-44(2)74(98)66(38-50)120-20/h25-42H,1-24H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1oc2c3[se]c(cc3[nH]c2c1)c1cc(c(c2c1nc(c(n2)c1cc(ccc1)F)c1cc(c(c(c1)SC)OC)SC)c1oc2c3[se]ccc3[nH]c2c1)F	


key: CAN_SMILES
value:
  CSc1cc(cc(c1OC)SC)c1nc2ccc(c(c2nc1c1cccc(c1)F)c1oc2c(c1)[nH]c1c2[se]c(c1)c1cc(F)c(c2c1nc(c1cc(SC)c(c(c1)SC)OC)c(n2)c1cccc(c1)F)c1oc2c(c1)[nH]c1c2[se]cc1)F	


key: InChI
value:
  InChI=1S/C62H40F4N6O4S4Se2/c1-73-59-43(77-3)19-29(20-44(59)78-4)52-50(27-9-7-11-31(63)17-27)71-55-36(69-52)14-13-34(65)48(55)41-25-39-58(76-41)62-40(68-39)26-47(82-62)33-23-35(66)49(42-24-38-57(75-42)61-37(67-38)15-16-81-61)56-54(33)70-53(51(72-56)28-10-8-12-32(64)18-28)30-21-45(79-5)60(74-2)46(22-30)80-6/h7-26,67-68H,1-6H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)F)SC)SC)SC)c1c(cc(c2c(cc(n2C)c2c(c(c(c3c2nc(c(n3)SC)F)c2c(cc(c3c(ccn3C)SC)o2)OC)SC)SC)SC)o1)OC	


key: CAN_SMILES
value:
  CSc1nc2c(c3oc(cc3OC)c3c(SC)ccn3C)c(SC)c(c(c2nc1F)c1cc(c(n1C)c1cc(c(o1)c1c(SC)c(SC)cc2c1nc(SC)c(n2)F)OC)SC)SC	


key: InChI
value:
  InChI=1S/C44H42F2N6O4S8/c1-51-14-13-25(57-5)34(51)21-17-23(53-3)37(55-21)30-33-32(48-42(46)44(50-33)64-12)28(39(61-9)40(30)62-10)20-16-26(58-6)35(52(20)2)22-18-24(54-4)36(56-22)29-31-19(15-27(59-7)38(29)60-8)47-41(45)43(49-31)63-11/h13-18H,1-12H3


key: SMILES
value:
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key: CAN_SMILES
value:
  COc1c2c(oc1c1cc(c(n1C)c1cc(c(o1)c1c(C)c3c(n1C)cc(s3)c1c(OC)c(C)c(c3c1ncc(n3)SC)c1c(C)c3c(n1C)c(co3)OC)OC)SC)c(c(n2C)c1c(C)c(OC)c(c2c1nc(SC)cn2)c1sc2c(c1)n(c(c2C)c1oc(cc1OC)c1c(SC)ccn1C)C)C	


key: InChI
value:
  InChI=1S/C78H76N10O10S6/c1-33-53(61-35(3)71-67(87(61)11)46(91-15)32-95-71)59-57(79-30-51(81-59)101-21)55(69(33)92-16)48-27-41-78(104-48)38(6)64(86(41)10)75-45(90-14)29-43(97-75)66-50(100-20)25-39(84(66)8)73-76(94-18)68-72(98-73)36(4)62(88(68)12)54-34(2)70(93-17)56(58-60(54)82-52(102-22)31-80-58)49-26-40-77(103-49)37(5)63(85(40)9)74-44(89-13)28-42(96-74)65-47(99-19)23-24-83(65)7/h23-32H,1-22H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1c(F)c(sc1c1cc(F)c(c2c1nn(n2)C)c1oc(c(c1OC)OC)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(c1OC)OC)c1c(F)cc(c2c1nn(n2)C)c1scc(c1SC)F	


key: InChI
value:
  InChI=1S/C88H64F8N6O10S6/c1-33-17-21-39(22-18-33)55-51-37(5)68(109-70(51)53(59-50(103-9)32-116-84(55)59)41-25-35(3)61(94)47(91)27-41)79-77(107-13)76(106-12)73(112-79)58-46(90)30-44(65-67(58)100-102(8)98-65)82-86(114-16)63(96)87(117-82)88-74(104-10)60-54(42-26-36(4)62(95)48(92)28-42)71-52(56(85(60)118-88)40-23-19-34(2)20-24-40)38(6)69(110-71)80-78(108-14)75(105-11)72(111-80)57-45(89)29-43(64-66(57)99-101(7)97-64)81-83(113-15)49(93)31-115-81/h17-32H,1-16H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c1oc3c(c1OC)sc(c3F)c1cc(c(n1C)c1sc(cc1SC)c1cc3c(n1C)c(c(s3)c1c(F)c(SC)c(c3c1ncc(n3)SC)c1oc3c(c1OC)scc3F)SC)F)c(c(c2c1sc2c(c1SC)n(c(c2)c1cc(c(s1)c1n(C)ccc1F)SC)C)F)SC	


key: InChI
value:
  InChI=1S/C70H52F6N8O4S14/c1-81-16-15-25(71)50(81)61-35(89-7)20-31(98-61)28-18-33-52(82(28)2)67(95-13)66(100-33)40-44(75)64(94-12)42(49-47(40)78-23-38(80-49)92-10)56-59(86-6)70-57(88-56)45(76)60(102-70)30-17-26(72)51(84(30)4)62-36(90-8)21-32(99-62)29-19-34-53(83(29)3)68(96-14)65(101-34)39-43(74)63(93-11)41(48-46(39)77-22-37(79-48)91-9)55-58(85-5)69-54(87-55)27(73)24-97-69/h15-24H,1-14H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3oc(c(c3F)SC)c3ccc(o3)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)c(SC)c(c(c2nc1c1ccc(c(c1)SC)F)c1c(F)c(c(n1C)c1sc(cc1C)c1ccco1)OC)F	


key: InChI
value:
  InChI=1S/C86H64F8N6O6S10/c1-37-32-52(47-16-15-31-103-47)115-82(37)75-80(101-5)63(93)74(99(75)3)56-61(91)85(113-13)58(72-70(56)98-68(42-22-28-46(88)51(35-42)110-10)66(96-72)40-19-25-44(108-8)26-20-40)79-64(94)86(114-14)77(106-79)49-30-29-48(105-49)53-33-38(2)83(116-53)76-81(102-6)62(92)73(100(76)4)55-60(90)84(112-12)57(78-59(89)54(111-11)36-104-78)71-69(55)97-67(41-21-27-45(87)50(34-41)109-9)65(95-71)39-17-23-43(107-7)24-18-39/h15-36H,1-14H3


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


key: CAN_SMILES
value:
  CSc1coc(c1)c1sc(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1oc(c(c1)F)c1sc2c(c1F)sc(c2F)c1oc(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1sc2c(c1F)scc2F)F	


key: InChI
value:
  InChI=1S/C58H28F6O10S8/c1-17-7-20-22(10-27(17)69-3)43(67)34-35(41(20)65)50(79-49(34)29-9-19(75-5)15-71-29)30-13-25(60)46(73-30)54-39(63)57-58(81-54)40(64)55(82-57)47-33(76-6)14-32(74-47)52-37-36(42(66)21-8-18(2)28(70-4)11-23(21)44(37)68)51(80-52)31-12-24(59)45(72-31)53-38(62)56-48(78-53)26(61)16-77-56/h7-16H,1-6H3


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(c(s3)c2ccc(c3c4c(c(o3)c3cc(c(s3)c3oc5c(c(c6c(c5c5cc(c(c(c5)C)F)F)c(cs6)OC)c5ccc(cc5)C)c3C)F)C(=O)c3c(C4=O)coc3F)[se]2)OC)c2ccc(cc2)C)c1C)F	


key: CAN_SMILES
value:
  COc1c(sc2c1c(c1cc(C)c(c(c1)F)F)c1c(c2c2ccc(cc2)C)c(c(o1)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1)C)c1ccc([se]1)c1oc(c2c1C(=O)c1c(C2=O)c(oc1)F)c1cc(c(s1)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1)F	


key: InChI
value:
  InChI=1S/C88H46F8O12S4Se2/c1-31-11-15-37(16-12-31)57-53-35(5)73(105-79(53)55(61-47(101-7)30-109-85(57)61)39-22-33(3)67(93)43(89)24-39)82-46(92)27-49(111-82)76-65-63(70(98)42-29-104-88(96)60(42)72(65)100)78(108-76)51-19-20-52(114-51)84-81(102-8)66-56(40-23-34(4)68(94)44(90)25-40)80-54(58(86(66)112-84)38-17-13-32(2)14-18-38)36(6)74(106-80)83-45(91)26-48(110-83)75-64-62(77(107-75)50-10-9-21-113-50)69(97)41-28-103-87(95)59(41)71(64)99/h9-30H,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)c1oc2c3sc(cc3[nH]c2c1)c1c(cc(c2c3c(c([se]2)c2cc(c(o2)c2oc4c5sccc5[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/C60H28F4N2O10S4Se4/c1-71-31-8-20-22(10-37(31)77-3)48(69)42-44(46(20)67)59(40-7-19(61)18-81-40)83-57(42)35-12-25(63)51(75-35)34-16-29-53(74-34)55-30(66-29)17-39(80-55)56-26(64)14-41(82-56)60-45-43(49(70)23-11-38(78-4)32(72-2)9-21(23)47(45)68)58(84-60)36-13-24(62)50(76-36)33-15-28-52(73-33)54-27(65-28)5-6-79-54/h5-18,65-66H,1-4H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)c1cc(c(s1)c1oc2c3sc(cc3[GeH2]c2c1)c1c(cc(c2c3c(c(o2)c2cc(c(s2)c2oc4c5sccc5[GeH2]c4c2)OC)C(=O)c2c(C3=O)ccc(c2)OC)o1)F)OC	


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1sc(c(c1)OC)c1cc2c(o1)c1c([GeH2]2)ccs1)c1oc(c(c1)F)c1cc2c(s1)c1c([GeH2]2)cc(o1)c1sc(cc1OC)c1oc(c2c1C(=O)c1c(C2=O)ccc(c1)OC)c1occ(c1)F	


key: InChI
value:
  InChI=1S/C60H32F2Ge2O14S4/c1-69-22-5-7-24-26(12-22)48(67)44-42(46(24)65)53(33-11-21(61)20-73-33)77-55(44)40-18-36(72-4)60(81-40)38-16-31-52(76-38)58-32(64-31)17-39(80-58)50-28(62)14-34(74-50)54-43-45(49(68)27-13-23(70-2)6-8-25(27)47(43)66)56(78-54)41-19-35(71-3)59(82-41)37-15-30-51(75-37)57-29(63-30)9-10-79-57/h5-20H,63-64H2,1-4H3


key: SMILES
value:
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key: CAN_SMILES
value:
  COc1cc(cc(c1OC)F)c1nc2c(c3sc(c(c3)C)c3c(OC)c4c(n3C)c(co4)OC)c(SC)c(c(c2nc1c1ccc(c(c1)C)F)c1ccc(n1C)c1oc2c(c1OC)n(c(c2OC)c1sc(cc1C)c1c(SC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)OC)OC)c(n2)c1ccc(c(c1)C)F)c1cccn1C)C)OC	


key: InChI
value:
  InChI=1S/C88H78F4N8O12S4/c1-39-30-43(23-25-47(39)89)63-65(45-34-49(91)75(104-12)54(36-45)101-9)95-69-61(87(113-19)78(106-14)59(67(69)93-63)51-22-21-29-97(51)5)57-33-42(4)86(116-57)74-82(110-18)84-72(100(74)8)80(108-16)77(112-84)53-28-27-52(98(53)6)60-68-70(96-66(46-35-50(92)76(105-13)55(37-46)102-10)64(94-68)44-24-26-48(90)40(2)31-44)62(88(114-20)79(60)107-15)58-32-41(3)85(115-58)73-81(109-17)83-71(99(73)7)56(103-11)38-111-83/h21-38H,1-20H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C68H48N6O14S6/c1-25-23-78-63-52-35(83-54(25)63)15-29(73(52)3)31-17-39-61(79-31)67(93-11)58(85-39)28-14-43(90-8)47(51-49(28)72-45(92-10)22-70-51)34-20-38-60(82-34)65(76-6)66(87-38)56-26(2)55-64(88-56)53-36(84-55)16-30(74(53)4)32-18-40-62(80-32)68(94-12)57(86-40)27-13-42(89-7)46(50-48(27)71-44(91-9)21-69-50)33-19-37-59(81-33)41(75-5)24-77-37/h13-24H,1-12H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1ccc(cc1)c1nc2c(c3oc(c(c3F)SC)c3oc4c(c3F)oc3c4sc(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)c1sc2c(c1)oc1c2occ1F)OC)F	


key: InChI
value:
  InChI=1S/C84H54F10N6O8S10/c1-99-66(44-27-40-80(117-44)77-70(105-40)39(87)29-103-77)73(101-3)55(92)69(99)48-53(90)83(115-11)50(65-63(48)98-61(34-18-24-38(86)43(26-34)112-8)59(96-65)32-15-21-36(110-6)22-16-32)72-57(94)84(116-12)79(107-72)76-56(93)75-78(108-76)81-41(106-75)28-45(118-81)67-74(102-4)54(91)68(100(67)2)47-52(89)82(114-10)49(71-51(88)46(113-9)30-104-71)64-62(47)97-60(33-17-23-37(85)42(25-33)111-7)58(95-64)31-13-19-35(109-5)20-14-31/h13-30H,1-12H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)OC)c1c(c2c(c(co2)C)n1C)SC)C)SC)c1c(c2c(s1)c(c(n2C)c1sc2c(c(c3c(c2OC)c(c(n3C)c2c(c3c(c(c(c4c(c(c(c5c4nc(c(n5)OC)OC)c4c(c5c(s4)c(c(n5C)c4sc5c(c(c6c(c5OC)c(cn6C)C)OC)c4C)SC)F)SC)C)n3C)SC)o2)C)C)OC)c1C)SC)F	


key: CAN_SMILES
value:
  COc1nc2c(c(SC)c(c(c2nc1OC)c1n(C)c2c(c1SC)oc(c2C)c1n(C)c2c(c1C)c(OC)c1c(c2OC)c(C)c(s1)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)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cn1C)C	


key: InChI
value:
  InChI=1S/C88H86F2N10O10S10/c1-31-29-95(9)56-39(31)67(103-17)77-43(65(56)101-15)36(6)73(117-77)62-81(115-27)83-60(99(62)13)47(89)76(120-83)46-52-50(92-86(106-20)88(94-52)108-22)41(35(5)72(46)112-24)59-80(114-26)70-55(98(59)12)38(8)64(110-70)54-33(3)42-57(97(54)11)66(102-16)44-37(7)74(118-78(44)68(42)104-18)63-82(116-28)84-61(100(63)14)48(90)75(119-84)45-51-49(91-85(105-19)87(93-51)107-21)40(34(4)71(45)111-23)58-79(113-25)69-53(96(58)10)32(2)30-109-69/h29-30H,1-28H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cn1C)C)OC)C)c1c(c(c(o1)c1[se]c2c3oc(cc3[SiH2]c2c1)c1c(c(c(c2cc(c(c3c2nn(n3)C)c2c(c(c(o2)c2[se]c3c4occc4[SiH2]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([se]2)c2c([SiH2]3)cco2)n(c(c1C)c1cc2c(o1)c1c([SiH2]2)cc([se]1)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)cc(c1OC)C)C	


key: InChI
value:
  InChI=1S/C56H48F2N8O6Se2Si2/c1-21-15-27(45-47(67-11)23(3)20-63(45)7)40-42(61-65(9)59-40)36(21)48-25(5)39(58)52(72-48)31-19-35-56(74-31)54-33(76-35)17-29(70-54)44-26(6)50(68-12)46(64(44)8)28-16-22(2)37(43-41(28)60-66(10)62-43)49-24(4)38(57)51(71-49)30-18-34-55(73-30)53-32(75-34)13-14-69-53/h13-20H,75-76H2,1-12H3


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)c1c(c2c(c3c(cc2n1C)c(c(s3)c1ccc(c2c(c(c(c3c2nc(c(n3)c2cc(c(c(c2)F)OC)OC)c2ccc(c(c2)C)F)c2cc(c(s2)c2c(c3c(c4c(cc3n2C)c(cs4)F)SC)SC)C)SC)OC)n1C)F)SC)SC)C	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C96H80F6N8O6S10/c1-41-30-45(23-25-51(41)97)72-74(47-34-53(99)82(113-11)61(36-47)111-9)105-78-69(93(119-17)84(115-13)65(76(78)103-72)56-22-21-29-107(56)5)63-32-44(4)87(124-63)81-92(118-16)68-60(110(81)8)39-50-71(102)90(126-89(50)96(68)122-20)58-28-27-57(108(58)6)66-77-79(106-75(48-35-54(100)83(114-12)62(37-48)112-10)73(104-77)46-24-26-52(98)42(2)31-46)70(94(120-18)85(66)116-14)64-33-43(3)86(125-64)80-91(117-15)67-59(109(80)7)38-49-55(101)40-123-88(49)95(67)121-19/h21-40H,1-20H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C104H88F8N14O8S8/c1-41-31-43(25-27-58(41)127-13)61-47-29-30-117(3)75(47)63(45-33-53(107)90(130-16)54(108)34-45)67-95(61)141-103(97(67)135-19)81-69(111)92-86(123(81)9)101(139-23)89(134-92)50-38-52(106)66(74-72(50)114-126(12)116-74)80-100(138-22)85-83(122(80)8)94(132-18)77(120(85)6)57-39-48-62(44-26-28-59(128-14)42(2)32-44)96-68(64(76(48)119(57)5)46-35-55(109)91(131-17)56(110)36-46)98(136-20)104(142-96)82-70(112)93-87(124(82)10)102(140-24)88(133-93)49-37-51(105)65(73-71(49)113-125(11)115-73)79-99(137-21)84-78(121(79)7)60(129-15)40-118(84)4/h25-40H,1-24H3


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(c2C)c(c(o3)c2c(cc(c3c4c(c([se]3)c3cc(c(o3)c3oc5c(c(c6c(c5C)c(co6)C)C)c3F)F)C(=O)c3c(C4=O)cc(c(c3)SC)OC)[se]2)F)C)C)c1F)F	


key: CAN_SMILES
value:
  COc1cc2C(=O)c3c([se]c(c3C(=O)c2cc1SC)c1cc(c(o1)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1)F)c1cc(c([se]1)c1oc2c(c1C)c(C)c1c(c2C)c(F)c(o1)c1oc(cc1F)c1[se]c(c2c1C(=O)c1cc(SC)c(cc1C2=O)OC)c1[se]cc(c1)F)F	


key: InChI
value:
  InChI=1S/C70H40F6O12S2Se4/c1-21-19-83-57-25(5)45-51(75)64(87-59(45)22(2)43(21)57)62-33(73)17-38(85-62)68-48-50(54(78)29-13-36(82-8)40(90-10)15-31(29)56(48)80)70(94-68)42-18-34(74)66(92-42)61-24(4)44-23(3)60-46(26(6)58(44)86-61)52(76)65(88-60)63-32(72)16-37(84-63)67-47-49(69(93-67)41-11-27(71)20-91-41)53(77)28-12-35(81-7)39(89-9)14-30(28)55(47)79/h11-20H,1-10H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)c1cc(c(s1)c1oc2c3[se]c(cc3[SiH2]c2c1)c1c(cc(c2c3c(c(o2)c2cc(c(s2)c2oc4c5[se]ccc5[SiH2]c4c2)OC)C(=O)c2c(C3=O)ccc(c2)OC)o1)F)OC	


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1sc(c(c1)OC)c1cc2c(o1)c1c([SiH2]2)cc[se]1)c1oc(c(c1)F)c1cc2c([se]1)c1c([SiH2]2)cc(o1)c1sc(cc1OC)c1oc(c2c1C(=O)c1c(C2=O)ccc(c1)OC)c1occ(c1)F	


key: InChI
value:
  InChI=1S/C60H32F2O14S2Se2Si2/c1-67-22-5-7-24-26(12-22)48(65)44-42(46(24)63)51(29-11-21(61)20-71-29)75-53(44)35-15-32(70-4)58(77-35)34-18-40-56(74-34)60-41(82-40)19-37(80-60)50-28(62)14-30(72-50)52-43-45(49(66)27-13-23(68-2)6-8-25(27)47(43)64)54(76-52)36-16-31(69-3)57(78-36)33-17-39-55(73-33)59-38(81-39)9-10-79-59/h5-20H,81-82H2,1-4H3


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)c1c(cc(c2ccc(s2)c2c(cc(c3c4c(c([se]3)c3cc(c(o3)c3c(cc(c5cccs5)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)c1cccs1)c1cc(c([se]1)c1ccc(s1)c1oc(c(c1)C)c1oc(cc1F)c1[se]c(c2c1C(=O)c1cc(SC)c(cc1C2=O)OC)c1[se]cc(c1)F)F	


key: InChI
value:
  InChI=1S/C62H34F4O10S4Se4/c1-23-12-35(39-8-7-11-79-39)73-54(23)56-30(64)20-38(76-56)60-47-49(51(68)27-16-34(72-4)43(78-6)18-29(27)53(47)70)62(84-60)45-21-32(66)58(82-45)41-10-9-40(80-41)36-13-24(2)55(74-36)57-31(65)19-37(75-57)59-46-48(61(83-59)44-14-25(63)22-81-44)50(67)26-15-33(71-3)42(77-5)17-28(26)52(46)69/h7-22H,1-6H3


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)SC)o4)n3C)C)SC)C)/F)/SC)/SC)/O2)n1C)C)SC	


key: CAN_SMILES
value:
  CS/C(=C(/C(=O)c1cc(C)c(c2c1nsn2)C1=C(SC)[C@@H]([C@@]2(N1C2)c1cc2c(n1C)c1c(o2)c(co1)SC)C)\F)/C#C/C(=C\1/Oc2c(C1=O)n(c(c2)[C@@]12CN2C(=C([C@@H]1C)SC)c1c(C)cc(c2c1nsn2)c1occ(c1F)SC)C)/SC	


key: InChI
value:
  InChI=1S/C58H48F2N8O6S8/c1-23-15-27(41-43(63-81-61-41)37(23)47-56(80-12)26(4)58(22-68(47)58)36-18-30-46(66(36)6)54-53(74-30)34(78-10)20-72-54)49(69)39(59)31(75-7)13-14-32(76-8)52-50(70)45-29(73-52)17-35(65(45)5)57-21-67(57)48(55(79-11)25(57)3)38-24(2)16-28(42-44(38)64-82-62-42)51-40(60)33(77-9)19-71-51/h15-20,25-26H,21-22H2,1-12H3/b39-31-,52-32-/t25-,26-,57+,58+,67-,68-/m0/s1


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(c2c2cc(c(cc2)OC)C)cc(n3C)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(c4c4cc(c(cc4)OC)C)ccn5C)c4cc(c(c(c4)F)OC)F)c3SC)C)C)n2C)SC)c2cc(c(c(c2)F)OC)F)c1SC)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)c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)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)c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)ccn1C)C)C)C	


key: InChI
value:
  InChI=1S/C128H112F8N10O8S8/c1-57-39-65(29-35-91(57)147-15)96-76-37-38-141(9)114(76)98(67-43-80(129)119(153-21)81(130)44-67)100-123(96)161-127(125(100)159-27)112-63(7)62(6)111(146(112)14)78-34-32-75(107-109(78)140-103(70-42-60(4)118(152-20)94(52-70)150-18)105(138-107)72-49-86(135)122(158-26)87(136)50-72)89-55-95(156-24)116(143(89)11)90-54-79-97(66-30-36-92(148-16)58(2)40-66)124-101(99(115(79)144(90)12)68-45-82(131)120(154-22)83(132)46-68)126(160-28)128(162-124)113-64(8)61(5)110(145(113)13)77-33-31-74(88-53-73(155-23)56-142(88)10)106-108(77)139-102(69-41-59(3)117(151-19)93(51-69)149-17)104(137-106)71-47-84(133)121(157-25)85(134)48-71/h29-56H,1-28H3


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(c2c(cc(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(cc(c5c(ccn5C)SC)o4)OC)F)OC)OC)s3)OC)s2)C)SC)o1)OC)F	


key: CAN_SMILES
value:
  COc1cc(oc1c1c(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)c1c(SC)cc(n1C)c1sc2c(c1C)sc(c2OC)c1c(OC)c(OC)c(c2c1nc(c1cc(F)c(c(c1)F)C)c(n2)c1cc(OC)c(c(c1)OC)C)c1sc2c(c1)n(c(c2F)c1oc(cc1OC)c1c(SC)ccn1C)C	


key: InChI
value:
  InChI=1S/C104H88F6N8O14S8/c1-41-40-135-103-94(129-21)101(138-96(41)103)72-82-80(111-78(49-31-58(119-11)44(4)59(32-49)120-12)76(113-82)47-27-51(105)42(2)52(106)28-47)70(90(125-17)92(72)127-19)67-36-57-100(137-67)75(110)87(118(57)10)89-65(124-16)39-63(132-89)85-69(134-24)37-55(116(85)8)97-46(6)98-104(139-97)95(130-22)102(140-98)73-83-81(112-79(50-33-60(121-13)45(5)61(34-50)122-14)77(114-83)48-29-53(107)43(3)54(108)30-48)71(91(126-18)93(73)128-20)68-35-56-99(136-68)74(109)86(117(56)9)88-64(123-15)38-62(131-88)84-66(133-23)25-26-115(84)7/h25-40H,1-24H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)F)SC)SC)SC)c1oc2c3[se]c(cc3[SiH2]c2c1)c1c(c(c(c2c1nc(c(n2)SC)F)c1oc2c3[se]ccc3[SiH2]c2c1)SC)SC	


key: CAN_SMILES
value:
  CSc1c(c2cc3c([se]2)c2c([SiH2]3)cc(o2)c2c(SC)c(SC)cc3c2nc(SC)c(n3)F)c2nc(F)c(nc2c(c1SC)c1cc2c(o1)c1c([SiH2]2)cc[se]1)SC	


key: InChI
value:
  InChI=1S/C38H28F2N4O2S6Se2Si2/c1-47-16-9-13-25(43-37(51-5)35(39)41-13)22(30(16)48-2)14-10-20-29(46-14)34-21(56-20)12-17(54-34)24-27-26(44-38(52-6)36(40)42-27)23(31(49-3)32(24)50-4)15-11-19-28(45-15)33-18(55-19)7-8-53-33/h7-12H,55-56H2,1-6H3


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)c1c(cc(c2c(cc(n2C)c2c(c3c(c(c(c4c(c(c(c5c4nn(n5)C)c4c(c5c(s4)c(c(o5)c4c(cc(c5c(ccn5C)SC)o4)OC)C)SC)F)C)n3C)SC)n2C)SC)SC)o1)OC)C)SC	


key: CAN_SMILES
value:
  COc1cc(oc1c1oc2c(c1C)sc(c2SC)c1c(F)c(C)c(c2c1nn(n2)C)c1n(C)c2c(c1SC)n(cc2SC)C)c1c(SC)cc(n1C)c1n(C)c2c(c1SC)n(c(c2SC)c1c(C)c(F)c(c2c1nn(n2)C)c1sc2c(c1SC)oc(c2C)c1oc(cc1OC)c1c(SC)ccn1C)C	


key: InChI
value:
  InChI=1S/C74H72F2N12O6S10/c1-29-41(55-71(99-19)57-54(85(55)9)40(97-17)28-82(57)6)47-49(79-87(11)77-47)43(45(29)75)68-74(102-22)65-67(104-68)32(4)61(94-65)63-37(90-14)27-35(92-63)53-39(96-16)25-33(83(53)7)51-70(98-18)58-59(84(51)8)72(100-20)56(86(58)10)42-30(2)46(76)44(50-48(42)78-88(12)80-50)69-73(101-21)64-66(103-69)31(3)60(93-64)62-36(89-13)26-34(91-62)52-38(95-15)23-24-81(52)5/h23-28H,1-22H3


key: SMILES
value:
  c1(c(c(c(c2c1ncc(n2)SC)c1c(c2c(o1)c(cs2)F)OC)SC)F)c1c(c2c(s1)cc(n2C)c1c(c2c(c3c(c(c(o3)c3c(c4c(c(c(c5c(c(c(c6c5nc(cn6)SC)c5c(c6c(s5)cc(n6C)c5c(c6c(c7c(c(co7)F)o6)s5)SC)SC)F)SC)o4)OC)s3)F)F)o2)s1)SC)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c1oc3c(c1OC)sc(c3F)c1oc3c(c1F)oc1c3sc(c1SC)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(c1SC)oc1c2occ1F)C)F)SC	


key: InChI
value:
  InChI=1S/C68H42F6N6O8S14/c1-79-21(54-67(95-11)52-65(100-54)50-41(84-52)19(69)17-83-50)13-23-39(79)61(93-9)59(98-23)28-32(72)57(92-8)30(38-36(28)76-16-26(78-38)90-6)44-49(82-4)64-47(86-44)34(74)60(102-64)46-33(73)45-51(88-46)66-53(87-45)68(96-12)55(101-66)22-14-24-40(80(22)2)62(94-10)58(99-24)27-31(71)56(91-7)29(37-35(27)75-15-25(77-37)89-5)43-48(81-3)63-42(85-43)20(70)18-97-63/h13-18H,1-12H3


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)c1oc2c3sc(cc3[nH]c2c1)c1c(c2c(c(c(c3c(c(c(c4c3nn(n4)C)c3c(c4c(s3)c(c(o4)c3oc4c5sccc5[nH]c4c3)C)SC)F)C)n2C)SC)n1C)SC)C)SC	


key: CAN_SMILES
value:
  CSc1c(c2cc3c(s2)c2c([nH]3)cc(o2)c2oc3c(c2C)sc(c3SC)c2c(F)c(C)c(c3c2nn(n3)C)c2c(SC)c3c(n2C)c(cn3C)SC)n(c2c1n(C)c(c2SC)c1c(C)c(F)c(c2c1nn(n2)C)c1sc2c(c1SC)oc(c2C)c1cc2c(o1)c1c([nH]2)ccs1)C	


key: InChI
value:
  InChI=1S/C68H56F2N12O4S10/c1-23-35(47-65(89-13)49-45(78(47)6)34(87-11)22-77(49)5)41-43(75-81(9)73-41)37(39(23)69)62-68(92-16)57-59(96-62)26(4)53(86-57)32-20-29-55(84-32)61-30(72-29)21-33(94-61)46-64(88-12)50-51(79(46)7)66(90-14)48(80(50)8)36-24(2)40(70)38(44-42(36)74-82(10)76-44)63-67(91-15)56-58(95-63)25(3)52(85-56)31-19-28-54(83-31)60-27(71-28)17-18-93-60/h17-22,71-72H,1-16H3


key: SMILES
value:
  c1(c2c(c([se]1)c1ccc[se]1)C(=O)c1c(C2=O)cc(c(c1)F)OC)c1cc(c([se]1)c1cc(c(c2c(cc(n2C)c2ccc(c3c4c(c([se]3)c3cc(c([se]3)c3cc(c(c5c(ccn5C)F)s3)SC)OC)C(=O)c3c(C4=O)cc(c(c3)OC)F)[se]2)F)s1)SC)OC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1c(F)cc(n1C)c1ccc([se]1)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)F)OC)c1[se]c(c(c1)OC)c1cc(c(s1)c1n(C)ccc1F)SC)c1[se]c(cc1OC)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)F)c1ccc[se]1	


key: InChI
value:
  InChI=1S/C64H40F4N2O8S4Se6/c1-69-14-13-29(65)51(69)57-38(79-7)23-40(81-57)59-36(77-5)22-46(86-59)64-50-48(54(72)26-17-31(67)35(76-4)19-28(26)56(50)74)62(88-64)44-12-11-42(84-44)33-20-32(68)52(70(33)2)58-39(80-8)24-41(82-58)60-37(78-6)21-45(85-60)63-49-47(61(87-63)43-10-9-15-83-43)53(71)25-16-30(66)34(75-3)18-27(25)55(49)73/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)c1[se]c2c3sc(cc3[SiH2]c2c1)c1c(cc(c2c3c(c(s2)c2cc(c(o2)c2[se]c4c5sccc5[SiH2]c4c2)F)C(=O)c2c(C3=O)cc(c(c2)C)OC)o1)SC)F	


key: CAN_SMILES
value:
  CSc1coc(c1)c1sc(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1oc(c(c1)F)c1[se]c2c(c1)[SiH2]c1c2sc(c1)c1oc(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1oc(c(c1)F)c1cc2c([se]1)c1c([SiH2]2)ccs1	


key: InChI
value:
  InChI=1S/C62H36F2O10S6Se2Si2/c1-21-9-24-26(12-30(21)69-3)50(67)44-45(48(24)65)56(79-55(44)32-11-23(75-5)20-71-32)33-14-29(64)53(72-33)39-19-43-62(82-39)60-41(84-43)17-37(78-60)54-36(76-6)16-35(74-54)58-47-46(49(66)25-10-22(2)31(70-4)13-27(25)51(47)68)57(80-58)34-15-28(63)52(73-34)38-18-42-61(81-38)59-40(83-42)7-8-77-59/h7-20H,83-84H2,1-6H3


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)c1c(cc(c2c(cc(s2)c2c(cc(c3c4c(c([se]3)c3cc(c(s3)c3c(cc(c5c(ccs5)C)s3)OC)F)C(=O)c3c(C4=O)cc(c(c3)C)OC)[se]2)F)C)s1)OC)F	


key: CAN_SMILES
value:
  COc1cc(sc1c1sc(cc1F)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)C)OC)c1[se]cc(c1)F)c1sc(cc1C)c1[se]c(cc1F)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(s1)c1sc(cc1OC)c1sccc1C)F	


key: InChI
value:
  InChI=1S/C64H38F4O8S6Se4/c1-23-9-10-77-54(23)39-20-37(75-7)58(78-39)56-32(66)18-43(82-56)62-47-49(53(72)31-16-36(74-6)25(3)12-29(31)51(47)70)64(86-62)45-19-34(68)60(84-45)41-13-26(4)55(80-41)40-21-38(76-8)59(79-40)57-33(67)17-42(81-57)61-46-48(63(85-61)44-14-27(65)22-83-44)52(71)30-15-35(73-5)24(2)11-28(30)50(46)69/h9-22H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)OC)c1c(c(co1)C)SC)OC)C)c1c(c(c(o1)c1sc2c(c(c3c(c2c2cc(c(cc2)OC)C)cc(n3C)c2c(c(c(c3c(c(c(c4c3nc(c(n4)OC)C)c3c(c(c(o3)c3sc4c(c(c5c(c4c4cc(c(cc4)OC)C)ccn5C)c4cc(c(c(c4)F)OC)F)c3SC)F)C)C)OC)o2)SC)C)c2cc(c(c(c2)F)OC)F)c1SC)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)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)ccn1C)c1cc2c(n1C)c(c1cc(F)c(c(c1)F)OC)c1c(c2c2ccc(c(c2)C)OC)sc(c1SC)c1oc(c(c1F)C)c1c(C)c(OC)c(c2c1nc(OC)c(n2)C)c1occ(c1SC)C	


key: InChI
value:
  InChI=1S/C100H86F6N6O12S6/c1-39-31-49(25-27-60(39)113-13)64-53-29-30-111(11)78(53)66(51-33-55(101)85(117-17)56(102)34-51)68-93(64)129-97(95(68)127-23)89-72(105)45(7)84(124-89)63-43(5)82(116-16)71(77-75(63)110-100(120-20)48(10)108-77)88-92(126-22)46(8)80(122-88)59-37-54-65(50-26-28-61(114-14)40(2)32-50)94-69(67(79(54)112(59)12)52-35-57(103)86(118-18)58(104)36-52)96(128-24)98(130-94)90-73(106)44(6)83(123-90)62-42(4)81(115-15)70(87-91(125-21)41(3)38-121-87)76-74(62)109-99(119-19)47(9)107-76/h25-38H,1-24H3


key: SMILES
value:
  c1(c(ccc2c1ncc(n2)C)F)c1sc2c(c(c3c(c2OC)c(c(n3C)c2cc(c(c3c2nc(cn3)C)c2sc3c(c(c4c(c3OC)c(cn4C)C)OC)c2C)F)C)OC)c1C	


key: CAN_SMILES
value:
  COc1c2c(C)c(sc2c(c2c1n(C)c(c2C)c1cc(F)c(c2c1nc(C)cn2)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cn1C)OC)c1c(F)ccc2c1ncc(n2)C	


key: InChI
value:
  InChI=1S/C48H42F2N6O4S2/c1-19-18-55(7)39-29(19)43(59-11)47-31(41(39)57-9)23(5)46(62-47)34-27(50)15-25(35-37(34)52-17-21(3)54-35)38-22(4)30-40(56(38)8)42(58-10)32-24(6)45(61-48(32)44(30)60-12)33-26(49)13-14-28-36(33)51-16-20(2)53-28/h13-18H,1-12H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cn1C)C)OC)C)c1c(c(c(o1)c1cc2c(c3c(c(c(o3)c3c(c(c(c4cc(c(c5c4nn(n5)C)c4c(c(c(o4)c4cc5c(c6c(c(co6)SC)o5)n4C)F)C)C)n3C)OC)C)SC)o2)n1C)F)C	


key: CAN_SMILES
value:
  CSc1c2oc3c(c2oc1c1c(C)c(c(n1C)c1cc(C)c(c2c1nn(n2)C)c1oc(c(c1C)F)c1cc2c(n1C)c1c(o2)c(co1)SC)OC)n(c(c3)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)cc(c1OC)C)C	


key: InChI
value:
  InChI=1S/C60H54F2N10O8S2/c1-23-17-29(45-49(73-13)25(3)21-67(45)7)40-42(65-71(11)63-40)36(23)50-27(5)39(62)54(79-50)32-20-34-48(69(32)9)57-59(77-34)60(82-16)58(80-57)44-28(6)52(74-14)46(70(44)10)30-18-24(2)37(43-41(30)64-72(12)66-43)51-26(4)38(61)53(78-51)31-19-33-47(68(31)8)56-55(76-33)35(81-15)22-75-56/h17-22H,1-16H3


key: SMILES
value:
  c1(c(cc(c2nonc12)c1c(c(cn1C)F)SC)F)c1c(c(c(s1)c1c(cc(c2ccc(o2)c2c(c(c(c3cc(c(c4c3non4)c3c(c(c(s3)c3c(cc(c4ccco4)s3)C)SC)C)F)n2C)SC)F)s1)C)SC)C	


key: CAN_SMILES
value:
  CSc1c(c2cc(F)c(c3c2non3)c2sc(c(c2C)SC)c2sc(cc2C)c2ccco2)n(c(c1F)c1ccc(o1)c1cc(c(s1)c1sc(c(c1SC)C)c1c(F)cc(c2c1non2)c1n(C)cc(c1SC)F)C)C	


key: InChI
value:
  InChI=1S/C54H40F4N6O4S8/c1-21-16-33(30-12-11-15-65-30)73-45(21)53-49(69-7)24(4)48(75-53)36-28(56)19-26(39-41(36)62-68-60-39)43-52(72-10)37(58)44(64(43)6)32-14-13-31(66-32)34-17-22(2)46(74-34)54-50(70-8)23(3)47(76-54)35-27(55)18-25(38-40(35)61-67-59-38)42-51(71-9)29(57)20-63(42)5/h11-20H,1-10H3


key: SMILES
value:
  c1(c(cc(c2nonc12)c1c(c(cn1C)F)SC)F)c1c(c(c(s1)c1cc2c(c3c(c(c(o3)c3c(c(c(c4cc(c(c5c4non5)c4c(c(c(s4)c4cc5c(c6c(c(co6)SC)o5)n4C)SC)C)F)n3C)SC)F)SC)o2)n1C)SC)C	


key: CAN_SMILES
value:
  CSc1c(C)c(sc1c1cc2c(n1C)c1c(o2)c(c(o1)c1c(F)c(c(n1C)c1cc(F)c(c2c1non2)c1sc(c(c1C)SC)c1cc2c(n1C)c1c(o2)c(co1)SC)SC)SC)c1c(F)cc(c2c1non2)c1n(C)cc(c1SC)F	


key: InChI
value:
  InChI=1S/C56H42F4N8O6S8/c1-19-48(31-23(57)13-21(34-36(31)63-73-61-34)38-52(78-10)25(59)17-65(38)3)82-54(51(19)77-9)27-16-29-41(67(27)5)45-47(71-29)56(80-12)46(72-45)42-33(60)55(79-11)39(68(42)6)22-14-24(58)32(37-35(22)62-74-64-37)49-20(2)50(76-8)53(81-49)26-15-28-40(66(26)4)44-43(70-28)30(75-7)18-69-44/h13-18H,1-12H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(co1)SC)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(o1)c1c(c2c(c3c(cc2n1C)c(c(s3)c1c(cc(c2c3c(c(s2)c2cc(c(o2)c2c(c4c(c5c(cc4n2C)c(cs5)F)SC)SC)F)C(=O)c2c(C3=O)cc(c(c2)C)OC)o1)SC)F)SC)SC)F	


key: CAN_SMILES
value:
  CSc1coc(c1)c1sc(c2c1C(=O)c1cc(OC)c(cc1C2=O)C)c1oc(c(c1)F)c1c(SC)c2c(n1C)cc1c(c2SC)sc(c1F)c1oc(cc1SC)c1sc(c2c1C(=O)c1cc(OC)c(cc1C2=O)C)c1oc(c(c1)F)c1c(SC)c2c(n1C)cc1c(c2SC)scc1F	


key: InChI
value:
  InChI=1S/C72H48F4N2O10S10/c1-25-13-28-30(18-39(25)83-5)57(81)48-49(55(28)79)65(97-64(48)41-15-27(89-7)23-85-41)42-20-34(73)60(86-42)54-69(92-10)47-38(78(54)4)17-33-52(76)72(96-63(33)71(47)94-12)61-45(90-8)22-44(88-61)67-51-50(56(80)29-14-26(2)40(84-6)19-31(29)58(51)82)66(98-67)43-21-35(74)59(87-43)53-68(91-9)46-37(77(53)3)16-32-36(75)24-95-62(32)70(46)93-11/h13-24H,1-12H3


key: SMILES
value:
  c1(c2c(c([se]1)c1cc(c[se]1)F)C(=O)c1c(C2=O)cc(c(c1)OC)SC)c1cc(c(o1)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)cc(s3)c1c(cc(c2c3c(c([se]2)c2cc(c(o2)c2cc4c(c5c(c(c4n2C)c2cc(c(F)n2C)SC)ccs5)c2cc(c(o2)F)OC)F)C(=O)c2c(C3=O)cc(c(c2)SC)OC)[se]1)F)c1cc(c(o1)F)OC)F	


key: CAN_SMILES
value:
  COc1cc(oc1F)c1c2sc(cc2c(c2c1cc(n2C)c1oc(cc1F)c1[se]c(c2c1C(=O)c1cc(SC)c(cc1C2=O)OC)c1[se]cc(c1)F)c1cc(c(n1C)F)SC)c1[se]c(cc1F)c1[se]c(c2c1C(=O)c1cc(OC)c(cc1C2=O)SC)c1oc(c(c1)F)c1cc2c(n1C)c(c1cc(c(n1C)F)SC)c1c(c2c2cc(c(o2)F)OC)scc1	


key: InChI
value:
  InChI=1S/C88H54F8N4O12S6Se4/c1-97-45(16-37-64(49-28-53(107-7)87(95)111-49)78-32(13-14-117-78)62(70(37)97)43-26-58(115-11)85(93)99(43)3)76-41(91)24-52(110-76)82-67-69(73(102)34-19-48(106-6)56(114-10)21-36(34)75(67)104)84(122-82)61-25-42(92)80(120-61)57-22-39-63(44-27-59(116-12)86(94)100(44)4)71-38(65(79(39)118-57)50-29-54(108-8)88(96)112-50)17-46(98(71)2)77-40(90)23-51(109-77)81-66-68(83(121-81)60-15-31(89)30-119-60)72(101)33-18-47(105-5)55(113-9)20-35(33)74(66)103/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)c1oc2c3sc(cc3[nH]c2c1)c1cc2c(cc(c3cc(c(c4c3nc(c(n4)c3cc(c(c(c3)F)OC)C)c3cc(c(c(c3)SC)SC)C)c3c(c4c(s3)c(c(o4)c3oc4c5sccc5[nH]c4c3)SC)C)OC)s2)s1)SC)C	


key: CAN_SMILES
value:
  CSc1cc(cc(c1SC)C)c1nc2c(cc(c(c2nc1c1cc(C)c(c(c1)F)OC)c1sc2c(c1C)oc(c2SC)c1oc2c(c1)[nH]c1c2scc1)OC)c1cc2c(s1)cc(s2)c1sc2c(c1)[nH]c1c2oc(c1)c1oc2c(c1SC)sc(c2C)c1c(OC)cc(c2c1nc(c1cc(C)c(c(c1)F)OC)c(n2)c1cc(C)c(c(c1)SC)SC)c1sc2c(c1)scc2	


key: InChI
value:
  InChI=1S/C96H70F2N6O8S14/c1-37-21-43(25-49(97)79(37)107-9)71-73(45-23-39(3)87(115-13)67(27-45)113-11)101-75-47(60-34-62-59(121-60)18-20-119-62)29-55(105-7)69(77(75)103-71)89-42(6)82-96(126-89)94(118-16)86(112-82)58-32-53-84(110-58)92-54(100-53)33-63(124-92)65-36-66-64(123-65)35-61(122-66)48-30-56(106-8)70(90-41(5)81-95(125-90)93(117-15)85(111-81)57-31-52-83(109-57)91-51(99-52)17-19-120-91)78-76(48)102-74(46-24-40(4)88(116-14)68(28-46)114-12)72(104-78)44-22-38(2)80(108-10)50(98)26-44/h17-36,99-100H,1-16H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)F)C(=O)c1c(scc1C2=O)C)c1cc(c(s1)c1[se]c2c3[se]c(cc3[nH]c2c1)c1c(cc(c2c3c(c(o2)c2cc(c(s2)c2[se]c4c5[se]ccc5[nH]c4c2)SC)C(=O)c2c(C3=O)c(sc2)C)s1)F)SC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1cc2c([se]1)c1c([nH]2)cc([se]1)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)csc1C)c1cc(c(s1)c1cc2c([se]1)c1c([nH]2)cc[se]1)SC)c1oc(c2c1C(=O)c1csc(c1C2=O)C)c1scc(c1)F	


key: InChI
value:
  InChI=1S/C56H26F2N2O6S8Se4/c1-17-36-20(15-69-17)42(61)38-40(44(36)63)46(27-7-19(57)14-71-27)65-48(38)29-12-32(68-4)52(73-29)35-11-26-56(78-35)55-25(60-26)9-33(76-55)50-22(58)8-28(72-50)47-41-39(43(62)21-16-70-18(2)37(21)45(41)64)49(66-47)30-13-31(67-3)51(74-30)34-10-24-54(77-34)53-23(59-24)5-6-75-53/h5-16,59-60H,1-4H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)SC)C(=O)c1c([se]c(c1C2=O)OC)C)c1cc(c(o1)c1c(c2c(c(c(s2)c2c(cc(c3c4c(c(o3)c3cc(c(o3)c3c(c5c(c(cs5)C)n3C)OC)F)C(=O)c3c(C4=O)c([se]c3OC)C)s2)SC)C)n1C)OC)F	


key: CAN_SMILES
value:
  CSc1csc(c1)c1oc(c2c1C(=O)c1c(C2=O)c([se]c1C)OC)c1oc(c(c1)F)c1c(OC)c2c(n1C)c(c(s2)c1sc(cc1SC)c1oc(c2c1C(=O)c1c(C2=O)c([se]c1C)OC)c1oc(c(c1)F)c1c(OC)c2c(n1C)c(cs2)C)C	


key: InChI
value:
  InChI=1S/C60H42F2N2O12S6Se2/c1-19-17-80-57-39(19)63(5)41(53(57)69-7)47-24(61)14-27(73-47)50-34-36(44(66)32-22(4)84-60(72-10)38(32)46(34)68)52(76-50)29-16-30(78-12)56(81-29)55-20(2)40-58(82-55)54(70-8)42(64(40)6)48-25(62)15-26(74-48)49-33-35(51(75-49)28-13-23(77-11)18-79-28)43(65)31-21(3)83-59(71-9)37(31)45(33)67/h13-18H,1-12H3


key: SMILES
value:
  c1(c(ccc2c1ncc(n2)C)F)c1c(c2c(c3c(c(c(o3)c3cc(c(c4c3nc(cn4)C)c3c(c4c(c5c(c(co5)F)o4)s3)SC)F)F)o2)s1)SC	


key: InChI
value:
  InChI=1S/C36H18F4N4O4S4/c1-11-8-41-22-17(43-11)6-5-14(37)18(22)31-36(50-4)30-34(52-31)28-26(48-30)20(40)24(46-28)13-7-15(38)19(23-21(13)44-12(2)9-42-23)32-35(49-3)29-33(51-32)27-25(47-29)16(39)10-45-27/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)c1cc2c(c3c(c(c(o3)c3ccc(c4c5c(c([se]4)c4cc(c([se]4)c4cc6c(c7c(c(co7)C)o6)n4C)OC)C(=O)c4c(C5=O)cc(c(c4)OC)F)[se]3)C)o2)n1C)OC	


key: CAN_SMILES
value:
  COc1cc([se]c1c1cc2c(n1C)c1c(o2)c(c(o1)c1ccc([se]1)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)F)OC)c1cc(c([se]1)c1cc2c(n1C)c1c(o2)c(co1)C)OC)C)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)F)c1ccc[se]1	


key: InChI
value:
  InChI=1S/C64H38F2N2O12Se6/c1-23-22-77-57-48-35(78-54(23)57)18-31(67(48)3)59-37(75-7)21-43(84-59)64-47-45(51(70)26-15-30(66)34(74-6)17-28(26)53(47)72)62(86-64)41-12-11-39(82-41)55-24(2)56-58(80-55)49-36(79-56)19-32(68(49)4)60-38(76-8)20-42(83-60)63-46-44(61(85-63)40-10-9-13-81-40)50(69)25-14-29(65)33(73-5)16-27(25)52(46)71/h9-22H,1-8H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cccc(c1)OC)c1cc(c(c(c1)OC)F)SC)SC)F)c1sc2c3[se]c(cc3[GeH2]c2c1)c1c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cccc(c1)OC)c1sc2c3[se]ccc3[GeH2]c2c1)F)SC	


key: CAN_SMILES
value:
  COc1cccc(c1)c1nc2c(c3cc4c([se]3)c3c([GeH2]4)cc(s3)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)c1sc2c(c1)[GeH2]c1c2[se]cc1)F	


key: InChI
value:
  InChI=1S/C64H46F4Ge2N4O4S6Se2/c1-75-31-13-9-11-27(17-31)53-55(29-19-38(77-3)49(65)42(21-29)79-5)72-57-37(71-53)26-44(81-7)51(67)46(57)40-24-35-61(84-40)64-36(70-35)25-45(86-64)48-59-58(47(52(68)62(48)82-8)41-23-34-60(83-41)63-33(69-34)15-16-85-63)74-56(30-20-39(78-4)50(66)43(22-30)80-6)54(73-59)28-12-10-14-32(18-28)76-2/h9-26H,69-70H2,1-8H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(c[se]1)SC)C(=O)c1c(oc(c1C2=O)C)SC)c1cc(c(o1)c1cc(c(c2c(cc(n2C)c2c(cc(c3c4c(c(s3)c3cc(c(o3)c3cc(c(c5c(ccn5C)F)s3)SC)C)C(=O)c3c(C4=O)c(oc3C)SC)[se]2)SC)F)s1)SC)C	


key: CAN_SMILES
value:
  CSc1c[se]c(c1)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1cc(c(o1)c1sc(c(c1)SC)c1c(F)cc(n1C)c1[se]c(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1cc(c(o1)c1sc(c(c1)SC)c1c(F)ccn1C)C)C	


key: InChI
value:
  InChI=1S/C64H46F2N2O8S10Se2/c1-23-16-32(76-54(23)33-19-35(78-8)58(83-33)48-28(65)13-14-67(48)5)57-43-45(53(72)47-41(51(43)70)26(4)74-64(47)82-12)61(86-57)39-21-37(80-10)62(88-39)30-18-29(66)49(68(30)6)59-36(79-9)20-34(84-59)55-24(2)15-31(75-55)56-42-44(60(85-56)38-17-27(77-7)22-87-38)52(71)46-40(50(42)69)25(3)73-63(46)81-11/h13-22H,1-12H3


key: SMILES
value:
  c1(cc(cc2c1nc(c(n2)SC)SC)F)c1oc2c3[se]c(cc3[SiH2]c2c1)c1c(cc(c2c1nc(c(n2)SC)SC)c1oc2c3[se]ccc3[SiH2]c2c1)F	


key: CAN_SMILES
value:
  CSc1nc2c(c3cc4c([se]3)c3c([SiH2]4)cc(o3)c3cc(F)cc4c3nc(SC)c(n4)SC)c(F)cc(c2nc1SC)c1cc2c(o1)c1c([SiH2]2)cc[se]1	


key: InChI
value:
  InChI=1S/C36H24F2N4O2S4Se2Si2/c1-45-33-34(46-2)40-26-14(7-13(37)8-17(26)39-33)18-10-23-30(44-18)32-24(52-23)12-20(50-32)25-16(38)9-15(27-28(25)42-36(48-4)35(41-27)47-3)19-11-22-29(43-19)31-21(51-22)5-6-49-31/h5-12H,51-52H2,1-4H3


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


key: SMILES
value:
  c1(cc(c(c2nn(nc12)C)c1c(c2c(c(cn2C)OC)n1C)SC)F)c1c(c2c(o1)c(c(n2C)c1c(c2c(c(c(n2C)c2c(c3c(c(c(c4c(cc(c5c4nn(n5)C)c4c(c5c(o4)c(c(n5C)c4c(c5c(c(cn5C)C)s4)SC)F)SC)F)n3C)SC)n2C)OC)C)s1)SC)F)SC	


key: CAN_SMILES
value:
  CSc1c(sc2c1n(C)c(c2C)c1c(OC)c2c(n1C)c(c(n2C)c1c(F)cc(c2c1nn(n2)C)c1oc2c(c1SC)n(c(c2F)c1sc2c(c1SC)n(cc2C)C)C)SC)c1n(C)c2c(c1F)oc(c2SC)c1cc(F)c(c2c1nn(n2)C)c1c(SC)c2c(n1C)c(cn2C)OC	


key: InChI
value:
  InChI=1S/C68H64F4N14O4S8/c1-25-23-77(3)52-59(25)97-67(65(52)95-19)44-34(71)56-50(82(44)8)63(93-17)55(89-56)28-22-30(70)33(39-37(28)74-86(12)76-39)43-62(92-16)49-47(81(43)7)58(88-14)46(84(49)10)40-26(2)60-53(79(40)5)66(96-20)68(98-60)45-35(72)57-51(83(45)9)64(94-18)54(90-57)27-21-29(69)32(38-36(27)73-85(11)75-38)42-61(91-15)48-41(80(42)6)31(87-13)24-78(48)4/h21-24H,1-20H3


key: SMILES
value:
  c1(cc(cc2c1nc(c(n2)SC)SC)F)c1oc2c3sc(cc3[GeH2]c2c1)c1c(cc(c2c1nc(c(n2)SC)SC)c1oc2c3sccc3[GeH2]c2c1)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C36H24F2Ge2N4O2S6/c1-47-33-34(48-2)42-26-14(7-13(37)8-21(26)41-33)22-11-19-30(46-22)32-20(40-19)12-24(52-32)25-16(38)9-15(27-28(25)44-36(50-4)35(43-27)49-3)23-10-18-29(45-23)31-17(39-18)5-6-51-31/h5-12H,39-40H2,1-4H3


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1c(cc(c2c(cc(n2C)c2ccc(c3c4c(c(o3)c3cc(c(s3)c3c(cc(c5c(ccn5C)SC)o3)OC)F)C(=O)c3c(C4=O)coc3F)[se]2)SC)o1)OC)F	


key: CAN_SMILES
value:
  CSc1cc(n(c1c1cc(c(o1)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1)OC)C)c1ccc([se]1)c1oc(c2c1C(=O)c1c(C2=O)c(oc1)F)c1cc(c(s1)c1oc(cc1OC)c1n(C)ccc1SC)F	


key: InChI
value:
  InChI=1S/C58H32F4N2O12S4Se2/c1-63-12-11-30(77-5)43(63)26-17-28(69-3)49(73-26)55-23(59)15-33(80-55)52-42-40(46(66)22-20-72-58(62)38(22)48(42)68)54(76-52)36-10-9-34(82-36)25-16-31(78-6)44(64(25)2)27-18-29(70-4)50(74-27)56-24(60)14-32(79-56)51-41-39(53(75-51)35-8-7-13-81-35)45(65)21-19-71-57(61)37(21)47(41)67/h7-20H,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)c1cc(c(c2c(cc(n2C)c2c(c3c(c(c(c4c(c(c(c5c4nn(n5)C)c4c(c5c(s4)c(c(o5)c4cc(c(c5c(ccn5C)F)s4)SC)C)SC)F)C)n3C)SC)n2C)SC)F)s1)SC)C)SC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1c(F)cc(n1C)c1n(C)c2c(c1SC)n(c(c2SC)c1c(C)c(F)c(c2c1nn(n2)C)c1sc2c(c1SC)oc(c2C)c1sc(c(c1)SC)c1c(F)ccn1C)C)c1oc2c(c1C)sc(c2SC)c1c(F)c(C)c(c2c1nn(n2)C)c1n(C)c2c(c1SC)n(cc2SC)C	


key: InChI
value:
  InChI=1S/C72H66F4N12O2S12/c1-27-39(53-69(95-17)55-52(85(53)9)38(93-15)26-82(55)6)45-47(79-87(11)77-45)41(43(27)75)66-72(98-20)61-63(102-66)30(4)59(90-61)35-25-37(92-14)65(100-35)50-32(74)23-33(83(50)7)51-68(94-16)56-57(84(51)8)70(96-18)54(86(56)10)40-28(2)44(76)42(48-46(40)78-88(12)80-48)67-71(97-19)60-62(101-67)29(3)58(89-60)34-24-36(91-13)64(99-34)49-31(73)21-22-81(49)5/h21-26H,1-20H3


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)C1=NC[C@H](C(=C1SC)C)c1ccc(c2cc(c(n2C)c2c(SC)c(c(c3cc(c(c4c3nsn4)C3=NC[C@H](C(=C3SC)C)c3ccc(c4cc(cn4C)SC)s3)C)o2)F)SC)s1	


key: CAN_SMILES
value:
  CSc1cc(n(c1)C)c1ccc(s1)[C@@H]1CN=C(C(=C1C)SC)c1c(C)cc(c2c1nsn2)c1oc(c(c1F)SC)c1c(SC)cc(n1C)c1ccc(s1)[C@@H]1CN=C(C(=C1C)SC)c1c(C)cc(c2c1nsn2)c1occ(c1F)SC	


key: InChI
value:
  InChI=1S/C58H52F2N8O2S10/c1-25-17-30(53-44(59)41(73-9)24-69-53)46-48(65-79-63-46)42(25)50-57(75-11)28(4)33(22-62-50)37-14-16-39(78-37)35-20-40(72-8)52(68(35)6)55-58(76-12)45(60)54(70-55)31-18-26(2)43(49-47(31)64-80-66-49)51-56(74-10)27(3)32(21-61-51)36-13-15-38(77-36)34-19-29(71-7)23-67(34)5/h13-20,23-24,32-33H,21-22H2,1-12H3/t32-,33-/m1/s1


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1ccc(c2c(cc(o2)c2c(c(c(c3c(c(c(c4c3non4)c3c(cc(o3)c3ccc(c4c(cco4)OC)s3)F)F)SC)s2)OC)F)OC)s1)F	


key: CAN_SMILES
value:
  COc1cc(oc1c1ccc(s1)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F)c1sc(c(c1F)OC)c1c(SC)c(F)c(c2c1non2)c1oc(cc1F)c1ccc(s1)c1occc1OC	


key: InChI
value:
  InChI=1S/C50H28F6N4O10S6/c1-61-20-11-12-65-43(20)27-9-7-25(74-27)21-13-17(51)41(66-21)30-34(55)48(72-6)32(39-37(30)58-70-60-39)50-45(64-4)35(56)46(76-50)24-15-23(62-2)44(68-24)28-10-8-26(75-28)22-14-18(52)40(67-22)29-33(54)47(71-5)31(38-36(29)57-69-59-38)49-42(63-3)19(53)16-73-49/h7-16H,1-6H3


key: SMILES
value:
  c1(cc(c(c2c1nc(cn2)SC)c1cc2c(o1)c(co2)OC)SC)c1c(c2c(o1)cc(o2)c1cc(c(c2ccc(s2)c2c(c3c(cc(c4c(cc(c5c4ncc(n5)SC)c4c(c5c(o4)cc(o5)c4cc(c(c5cccs5)s4)SC)SC)SC)o3)o2)OC)s1)SC)SC	


key: CAN_SMILES
value:
  COc1c(oc2c1oc(c2)c1c(SC)cc(c2c1ncc(n2)SC)c1oc2c(c1SC)oc(c2)c1cc(c(s1)c1cccs1)SC)c1ccc(s1)c1sc(cc1SC)c1cc2c(o1)c(c(o2)c1cc(SC)c(c2c1nc(SC)cn2)c1cc2c(o1)c(co2)OC)SC	


key: InChI
value:
  InChI=1S/C66H46N4O10S12/c1-71-37-26-73-33-20-31(76-57(33)37)49-43(81-3)16-27(51-53(49)67-24-47(69-51)85-7)55-66(88-10)60-36(79-55)19-30(75-60)42-23-46(84-6)64(92-42)40-14-13-38(90-40)61-62(72-2)58-34(80-61)21-32(77-58)50-44(82-4)17-28(52-54(50)68-25-48(70-52)86-8)56-65(87-9)59-35(78-56)18-29(74-59)41-22-45(83-5)63(91-41)39-12-11-15-89-39/h11-26H,1-10H3


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1oc2c3sc(cc3[nH]c2c1)c1ccc(c2c3c(c(o2)c2cc(c(s2)c2oc4c5sccc5[nH]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(o1)c1c([nH]2)ccs1)c1ccc([se]1)c1cc2c(s1)c1c([nH]2)cc(o1)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1	


key: InChI
value:
  InChI=1S/C52H16F4N2O10S4Se2/c53-17-9-27(72-47(17)23-10-20-41(65-23)49-19(57-20)5-6-69-49)44-36-34(38(60)16-14-64-52(56)32(16)40(36)62)46(68-44)30-4-3-28(74-30)25-12-22-50(70-25)42-21(58-22)11-24(66-42)48-18(54)8-26(71-48)43-35-33(45(67-43)29-2-1-7-73-29)37(59)15-13-63-51(55)31(15)39(35)61/h1-14,57-58H


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)c1oc2c3[se]c(cc3[SiH2]c2c1)c1c(cc(c2c3c(c([se]2)c2cc(c(o2)c2oc4c5[se]ccc5[SiH2]c4c2)F)C(=O)c2c(C3=O)cc(c(c2)SC)OC)[se]1)F)F	


key: CAN_SMILES
value:
  CSc1cc2c(cc1OC)C(=O)c1c(C2=O)c([se]c1c1[se]c(c(c1)F)c1cc2c([se]1)c1c([SiH2]2)cc(o1)c1oc(cc1F)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)SC)OC)c1[se]cc(c1)F)c1oc(c(c1)F)c1cc2c(o1)c1c([SiH2]2)cc[se]1	


key: InChI
value:
  InChI=1S/C60H30F4O10S2Se6Si2/c1-69-27-8-20-22(10-33(27)75-3)48(67)42-44(46(20)65)57(35-7-19(61)18-78-35)81-55(42)31-12-25(63)51(73-31)30-16-40-53(72-30)60-41(84-40)17-37(80-60)54-26(64)14-36(79-54)58-45-43(49(68)23-11-34(76-4)28(70-2)9-21(23)47(45)66)56(82-58)32-13-24(62)50(74-32)29-15-39-52(71-29)59-38(83-39)5-6-77-59/h5-18H,83-84H2,1-4H3


key: SMILES
value:
  c1(c(ccc2c1ncc(n2)C)F)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)cc(s3)c2cc(c(c3c2nc(cn3)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:
  CSc1cc(oc1C)c1c2cc(sc2c(c2c1oc(c2OC)c1c(F)ccc2c1ncc(n2)C)c1cc(c(n1C)F)OC)c1cc(F)c(c2c1nc(C)cn2)c1oc2c(c1OC)c(c1cc(c(n1C)F)OC)c1c(c2c2cc(c(o2)C)SC)ccs1	


key: InChI
value:
  InChI=1S/C64H48F4N6O8S4/c1-25-23-69-53-34(71-25)14-13-32(65)46(53)59-58(78-10)51-49(36-20-40(76-8)64(68)74(36)6)62-31(45(56(51)82-59)38-22-42(84-12)28(4)80-38)18-43(86-62)30-17-33(66)47(54-52(30)72-26(2)24-70-54)60-57(77-9)50-48(35-19-39(75-7)63(67)73(35)5)61-29(15-16-85-61)44(55(50)81-60)37-21-41(83-11)27(3)79-37/h13-24H,1-12H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)C)C(=O)c1c(sc(c1C2=O)F)SC)c1ccc(s1)c1cc2c(c3c(c(c(o3)c3c(cc(c4c5c(c(o4)c4ccc(s4)c4cc6c(c7c(c(co7)C)o6)n4C)C(=O)c4c(C5=O)c(sc4F)SC)s3)C)C)o2)n1C	


key: CAN_SMILES
value:
  CSc1sc(c2c1C(=O)c1c(oc(c1C2=O)c1ccc(s1)c1cc2c(n1C)c1c(o2)c(co1)C)c1cc(c(s1)c1oc2c(c1C)oc1c2n(C)c(c1)c1ccc(s1)c1oc(c2c1C(=O)c1c(C2=O)c(sc1F)SC)c1scc(c1)C)C)F	


key: InChI
value:
  InChI=1S/C60H34F2N2O10S8/c1-19-13-31(77-18-19)52-35-33(43(65)37-39(45(35)67)59(75-7)81-57(37)61)50(73-52)29-11-10-28(79-29)24-16-26-42(64(24)6)55-48(71-26)22(4)49(72-55)56-20(2)14-32(80-56)53-36-34(44(66)38-40(46(36)68)60(76-8)82-58(38)62)51(74-53)30-12-9-27(78-30)23-15-25-41(63(23)5)54-47(70-25)21(3)17-69-54/h9-18H,1-8H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cn1C)C)OC)C)c1c(c(c(o1)c1c(cc(c2ccc(o2)c2c(c(c(c3cc(c(c4c3nn(n4)C)c3c(c(c(o3)c3c(cc(c4ccco4)s3)C)F)C)C)n2C)OC)C)s1)C)F)C	


key: CAN_SMILES
value:
  COc1c(c2cc(C)c(c3c2nn(n3)C)c2oc(c(c2C)F)c2sc(cc2C)c2ccco2)n(c(c1C)c1ccc(o1)c1cc(c(s1)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)cc(c1OC)C)C)C	


key: InChI
value:
  InChI=1S/C58H52F2N8O6S2/c1-25-20-33(49-51(69-13)29(5)24-65(49)9)44-46(63-67(11)61-44)40(25)52-31(7)43(60)56(74-52)58-28(4)23-39(76-58)36-17-18-37(72-36)48-32(8)54(70-14)50(66(48)10)34-21-26(2)41(47-45(34)62-68(12)64-47)53-30(6)42(59)55(73-53)57-27(3)22-38(75-57)35-16-15-19-71-35/h15-24H,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)c1ccc(c2cc(c(n2C)c2c(c3c(c(c(c4c(c(c(c5c4nc(cn5)SC)c4cc5c(s4)c(c(n5C)c4ccc(c5cc(cn5C)OC)o4)C)OC)C)n3C)C)o2)OC)OC)o1)C	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1sc2c(c1)n(c(c2C)c1ccc(o1)c1cc(cn1C)OC)C)OC)C)c1c(C)c2c(n1C)c(c(o2)c1c(OC)cc(n1C)c1ccc(o1)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/C76H72N10O10S4/c1-33-54(64-35(3)71-67(85(64)11)49(89-15)32-93-71)60-58(77-29-52(79-60)97-19)56(69(33)90-16)50-28-43-76(100-50)38(6)63(84(43)10)47-24-22-45(95-47)41-26-48(88-14)66(82(41)8)74-73(92-18)68-72(96-74)36(4)65(86(68)12)55-34(2)70(91-17)57(59-61(55)80-53(98-20)30-78-59)51-27-42-75(99-51)37(5)62(83(42)9)46-23-21-44(94-46)40-25-39(87-13)31-81(40)7/h21-32H,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(c3c(cc2n1C)c(c(s3)c1cc2c(cc(c3cc(c(c4c3nc(c(n4)c3cc(c(c(c3)F)OC)C)c3cc(c(c(c3)SC)SC)C)c3c(c4c(s3)c(c(o4)c3c(c4c(c5c(cc4n3C)c(cs5)F)SC)SC)SC)C)OC)s2)s1)F)SC)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)c1c(SC)c2c(n1C)cc1c(c2SC)scc1F)OC)c1cc2c(s1)cc(s2)c1sc2c(c1F)cc1c(c2SC)c(SC)c(n1C)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/C106H84F4N6O6S18/c1-41-25-47(29-55(107)86(41)119-11)76-78(49-27-43(3)92(125-15)68(31-49)123-13)111-80-52(63-37-65-62(135-63)23-24-133-65)35-60(117-9)73(82(80)113-76)94-46(6)89-106(138-94)104(132-22)91(122-89)85-100(128-18)72-59(116(85)8)34-54-75(110)98(140-97(54)102(72)130-20)70-39-67-66(137-70)38-64(136-67)53-36-61(118-10)74(83-81(53)112-79(50-28-44(4)93(126-16)69(32-50)124-14)77(114-83)48-26-42(2)87(120-12)56(108)30-48)95-45(5)88-105(139-95)103(131-21)90(121-88)84-99(127-17)71-58(115(84)7)33-51-57(109)40-134-96(51)101(71)129-19/h23-40H,1-22H3


key: SMILES
value:
  c1(c2c(c(s1)c1cc(c[se]1)SC)C(=O)c1c(oc(c1C2=O)C)SC)c1cc(c(o1)c1cc(c(c2c(cc(s2)c2c(cc(c3c4c(c(s3)c3cc(c(o3)c3cc(c(c5c(ccs5)SC)o3)OC)C)C(=O)c3c(C4=O)c(oc3C)SC)[se]2)SC)SC)o1)OC)C	


key: CAN_SMILES
value:
  CSc1c[se]c(c1)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1cc(c(o1)c1cc(c(o1)c1sc(cc1SC)c1[se]c(cc1SC)c1sc(c2c1C(=O)c1c(C2=O)c(oc1SC)C)c1cc(c(o1)c1oc(c(c1)OC)c1sccc1SC)C)OC)C	


key: InChI
value:
  InChI=1S/C64H46O12S10Se2/c1-23-16-33(76-52(23)30-18-28(69-5)54(73-30)58-34(78-8)13-14-83-58)57-43-45(51(68)47-41(49(43)66)26(4)72-64(47)82-12)61(86-57)39-21-36(80-10)62(88-39)37-20-35(79-9)59(84-37)55-29(70-6)19-31(74-55)53-24(2)15-32(75-53)56-42-44(60(85-56)38-17-27(77-7)22-87-38)50(67)46-40(48(42)65)25(3)71-63(46)81-11/h13-22H,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)c1cc2c(c3c(c(c(o3)c3c(c4c(c(c(c5c(c(c(c6c5nc(cn6)SC)c5cc6c(s5)c(c(n6C)c5cc6c(c7c(c(co7)F)o6)s5)C)OC)C)n4C)C)o3)OC)F)o2)s1)C	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C72H56F2N8O10S6/c1-25-43(54-27(3)60-56(81(54)9)36(83-11)24-88-60)50-48(75-21-41(77-50)93-15)45(58(25)84-12)37-18-33-70(96-37)30(6)53(80(33)8)40-20-35-72(98-40)68-64(90-35)47(74)63(92-68)66-65(86-14)57-61(91-66)28(4)55(82(57)10)44-26(2)59(85-13)46(49-51(44)78-42(94-16)22-76-49)38-17-32-69(95-38)29(5)52(79(32)7)39-19-34-71(97-39)67-62(89-34)31(73)23-87-67/h17-24H,1-16H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C66H46F4N4O8S2Se4/c1-27-15-31-33(19-44(27)80-8)58(77)53-51(56(31)75)63(87-65(53)49-17-29(67)26-85-49)47-21-36(69)61(83-47)41-14-12-39(73(41)5)43-24-46(82-10)55(74(43)6)62-37(70)23-50(86-62)66-54-52(57(76)32-16-28(2)45(81-9)20-34(32)59(54)78)64(88-66)48-22-35(68)60(84-48)40-13-11-38(72(40)4)42-18-30(79-7)25-71(42)3/h11-26H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C58H32F4N2O8S6Se2/c1-21-14-30(43-28(73-5)11-12-63(43)3)75-53(21)55-25(59)17-33(78-55)50-42-40(46(66)24-20-70-58(62)38(24)48(42)68)52(72-50)36-10-9-34(80-36)27-18-29(74-6)44(64(27)4)31-15-22(2)54(76-31)56-26(60)16-32(77-56)49-41-39(51(71-49)35-8-7-13-79-35)45(65)23-19-69-57(61)37(23)47(41)67/h7-20H,1-6H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C62H42O10S8Se2/c1-23-17-34(72-52(23)54-25(3)18-35(77-54)30-12-11-15-67-30)57-43-45(51(66)47-41(49(43)64)28(6)69-62(47)76-10)59(80-57)39-21-37(74-8)60(82-39)32-14-13-31(70-32)36-19-26(4)55(78-36)53-24(2)16-33(71-53)56-42-44(58(79-56)38-20-29(73-7)22-81-38)50(65)46-40(48(42)63)27(5)68-61(46)75-9/h11-22H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C40H28F2N4O8S6/c1-47-16-10-9-15-22(45-39(57-7)37(43-15)49-3)18(16)31-36(56-6)30-34(60-31)28-26(54-30)20(42)24(52-28)13-11-17(48-2)19(23-21(13)44-38(50-4)40(46-23)58-8)32-35(55-5)29-33(59-32)27-25(53-29)14(41)12-51-27/h9-12H,1-8H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C56H52F2N8O2S10/c1-21-15-27(45-34(57)31(69-9)20-67-45)36-38(63-77-61-36)32(21)40-50(71-11)25(5)30(18-60-40)53-56(74-14)44-51(76-53)26(6)42(66(44)8)47-54(72-12)35(58)46(68-47)28-16-22(2)33(39-37(28)62-78-64-39)41-49(70-10)24(4)29(17-59-41)52-55(73-13)43-48(75-52)23(3)19-65(43)7/h15-16,19-20,29-30H,17-18H2,1-14H3/t29-,30-/m1/s1


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1c(oc(c1F)c1cc(C)c(c2c1nsn2)c1n(C)c(c(c1SC)C)c1sc2c(c1SC)oc1c2occ1F)c1oc2c(c1F)oc1c2sc(c1SC)c1n(C)c(c(c1C)SC)c1c(C)cc(c2c1nsn2)c1occ(c1F)SC	


key: InChI
value:
  InChI=1S/C56H40F4N6O6S10/c1-17-13-21(38-27(58)24(73-7)16-68-38)30-32(63-81-61-30)25(17)36-49(75-9)20(4)35(66(36)6)52-56(78-12)47-54(80-52)45-42(72-47)28(59)41(71-45)44-50(76-10)29(60)39(69-44)22-14-18(2)26(33-31(22)62-82-64-33)37-48(74-8)19(3)34(65(37)5)51-55(77-11)46-53(79-51)43-40(70-46)23(57)15-67-43/h13-16H,1-12H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1c2sc(c(c2cc2c1c(SC)c(n2C)c1sc2c(c1SC)oc(c2)c1c(SC)cc(c2c1nc(C)c(n2)F)c1oc2c(c1C)n(cc2SC)C)F)c1c(SC)c2c(n1C)c(c(o2)c1cc(SC)c(c2c1nc(F)c(n2)C)c1oc2c(c1)sc(c2SC)c1c(SC)c2c(n1C)cc1c(c2SC)scc1F)C	


key: InChI
value:
  InChI=1S/C78H62F4N8O4S14/c1-27-54-61(44(97-11)25-87(54)5)93-59(27)33-21-40(95-9)47(52-50(33)85-77(81)29(3)83-52)38-23-43-63(91-38)76(104-18)74(107-43)57-68(99-13)46-37(89(57)7)20-32-49(80)71(108-66(32)70(46)101-15)58-72(102-16)64-55(90(58)8)28(2)60(94-64)34-22-41(96-10)48(53-51(34)86-78(82)30(4)84-53)39-24-42-62(92-39)75(103-17)73(106-42)56-67(98-12)45-36(88(56)6)19-31-35(79)26-105-65(31)69(45)100-14/h19-26H,1-18H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1cc(cc(c1SC)C)c1nc2c(cc(c(c2nc1c1cc(C)c(c(c1)F)OC)c1sc2c(c1C)oc(c2SC)c1sc(cc1C)c1ccco1)OC)c1cc2c(s1)cc(s2)c1ccc(o1)c1cc(c(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)C	


key: InChI
value:
  InChI=1S/C98H76F2N4O8S14/c1-41-26-49(32-55(99)83(41)107-11)75-77(51-28-43(3)89(115-15)71(34-51)113-13)101-79-53(63-38-68-62(120-63)23-25-119-68)36-60(105-9)73(81(79)103-75)93-48(8)86-98(126-93)96(118-18)88(112-86)92-46(6)31-66(124-92)58-21-22-59(110-58)67-40-70-69(122-67)39-64(121-70)54-37-61(106-10)74(94-47(7)85-97(125-94)95(117-17)87(111-85)91-45(5)30-65(123-91)57-20-19-24-109-57)82-80(54)102-78(52-29-44(4)90(116-16)72(35-52)114-14)76(104-82)50-27-42(2)84(108-12)56(100)33-50/h19-40H,1-18H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C90H64F6N4O6S10/c1-37-27-43(15-19-49(37)91)75-76(45-17-21-52(101-7)39(3)29-45)98-79-51(97-75)35-54(103-9)73(95)69(79)59-34-48-65(58-32-42(6)90(106-12)115-58)86-71(67(84(48)112-59)56-24-26-63(94)111-56)87(108-14)88(116-86)72-81-80(99-78(46-18-22-53(102-8)40(4)30-46)77(100-81)44-16-20-50(92)38(2)28-44)70(74(96)82(72)104-10)60-33-47-64(57-31-41(5)89(105-11)114-57)85-68(61(107-13)36-109-85)66(83(47)113-60)55-23-25-62(93)110-55/h15-36H,1-14H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C64H40F4N2O12S6/c1-69-14-13-32(66)50(69)63-42(83-7)22-44(87-63)61-38(77-5)21-41(86-61)60-49-47(53(72)29-12-10-27(76-4)17-31(29)55(49)74)58(82-60)37-19-34(68)56(80-37)35-18-33(67)51(70(35)2)64-43(84-8)23-45(88-64)62-39(78-6)20-40(85-62)59-48-46(57(81-59)36-15-25(65)24-79-36)52(71)28-11-9-26(75-3)16-30(28)54(48)73/h9-24H,1-8H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C58H18F10N2O10S2Se2/c1-69-12-21(61)15-8-22-31(38(63)42(15)69)40(65)53(77-22)55-20(60)11-25(82-55)50-36-34(46(72)18-14-76-58(68)30(18)48(36)74)52(80-50)28-6-5-26(84-28)44-37(62)16-9-23-32(39(64)43(16)70(44)2)41(66)54(78-23)56-19(59)10-24(81-56)49-35-33(51(79-49)27-4-3-7-83-27)45(71)17-13-75-57(67)29(17)47(35)73/h3-14H,1-2H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C102H86F4N8O4S12/c1-43-29-44(2)32-55(31-43)79-77(53-25-23-47(5)59(36-53)115-15)107-81-69(86-73(103)100-85(113(86)13)68(119-19)42-124-100)51(9)93(120-20)71(83(81)109-79)63-39-58-96(126-63)76(106)89(112(58)12)98-62(118-18)41-67(129-98)92-50(8)35-65(127-92)99-102(122-22)90-101(130-99)74(104)87(114(90)14)70-52(10)94(121-21)72(64-38-57-95(125-64)75(105)88(111(57)11)97-61(117-17)40-66(128-97)91-49(7)27-28-123-91)84-82(70)108-78(54-26-24-48(6)60(37-54)116-16)80(110-84)56-33-45(3)30-46(4)34-56/h23-42H,1-22H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1cc(sc1c1oc(cc1C)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)c1sc2c(c1SC)n(c(c2F)c1c(C)c(SC)c(c2c1nc(c1ccc(c(c1)OC)C)c(n2)c1cc(C)cc(c1)C)c1sc2c(c1)n(c(c2F)c1oc(c(c1)C)c1sccc1SC)C)C	


key: InChI
value:
  InChI=1S/C102H86F4N8O4S12/c1-43-29-44(2)32-55(31-43)79-77(53-25-23-47(5)59(37-53)115-15)107-81-69(88-75(105)100-87(113(88)13)68(121-19)42-126-100)51(9)93(122-20)71(83(81)109-79)64-40-58-96(128-64)74(104)86(112(58)12)62-36-50(8)92(118-62)98-66(120-18)41-67(129-98)99-102(124-22)90-101(130-99)76(106)89(114(90)14)70-52(10)94(123-21)72(65-39-57-95(127-65)73(103)85(111(57)11)61-35-49(7)91(117-61)97-63(119-17)27-28-125-97)84-82(70)108-78(54-26-24-48(6)60(38-54)116-16)80(110-84)56-33-45(3)30-46(4)34-56/h23-42H,1-22H3


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


key: CAN_SMILES
value:
  COc1ccc(cc1C)c1nc2c(c3[se]c4c(c3)[nH]c3c4[se]cc3)c(F)c(c(c2nc1c1ccc(c(c1)C)F)c1[se]c2c(c1)[nH]c1c2[se]c(c1)c1c(F)c(OC)cc2c1nc(c1ccc(c(c1)C)OC)c(n2)c1ccc(c(c1)C)F)OC	


key: InChI
value:
  InChI=1S/C64H44F4N6O4Se4/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)23-44(77-7)51(67)48(57)45-25-40-63(81-45)64-41(70-40)26-47(82-64)50-59-58(49(52(68)60(50)78-8)46-24-39-62(80-46)61-37(69-39)17-18-79-61)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(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(c2c2cc(cc(c2)F)SC)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(c4c4cc(cc(c4)F)SC)c(cs5)C)c4cc(cc(c4)C)OC)c3)C)C)n2C)SC)C)c2cc(cc(c2)C)OC)c1)C)C	


key: CAN_SMILES
value:
  COc1cc(C)cc(c1)c1c2sc(c(c2c(c2c1cc(s2)c1c(C)c(c(n1C)c1ccc(c2c1nc(c1cc(C)c(c(c1)OC)OC)c(n2)c1cc(F)c(c(c1)F)SC)c1cc(cn1C)SC)C)c1cc(F)cc(c1)SC)C)c1c(SC)cc(n1C)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1c(C)c(c(n1C)c1cc2c(s1)c(c1cc(F)cc(c1)SC)c1c(c2c2cc(C)cc(c2)OC)scc1C)C	


key: InChI
value:
  InChI=1S/C126H108F6N8O6S10/c1-57-31-67(39-77(33-57)141-15)101-86-52-97(154-121(86)103(99-61(5)56-153-125(99)101)69-37-75(127)49-79(41-69)147-21)115-64(8)63(7)114(140(115)14)85-30-28-83(110-112(85)136-106(72-36-60(4)119(146-20)95(48-72)144-18)108(134-110)74-45-90(131)124(152-26)91(132)46-74)93-54-96(150-24)117(138(93)12)120-66(10)100-104(70-38-76(128)50-80(42-70)148-22)122-87(102(126(100)156-120)68-32-58(2)34-78(40-68)142-16)53-98(155-122)116-65(9)62(6)113(139(116)13)84-29-27-82(92-51-81(149-23)55-137(92)11)109-111(84)135-105(71-35-59(3)118(145-19)94(47-71)143-17)107(133-109)73-43-88(129)123(151-25)89(130)44-73/h27-56H,1-26H3


key: SMILES
value:
  c1(c2c(c(o1)c1ccc[se]1)C(=O)c1coc(c1C2=O)F)c1cc(c(s1)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(c(o3)c1ccc(c2c3c(c(o2)c2cc(c(s2)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)coc2F)[se]1)C)c1cc(c(s1)C)C)F)F	


key: CAN_SMILES
value:
  CSc1c(SC)cc(n1C)c1c2c(C)c(oc2c(c2c1n(C)c(c2F)c1sc(cc1F)c1oc(c2c1C(=O)c1c(C2=O)coc1F)c1ccc[se]1)c1cc(c(s1)C)C)c1ccc([se]1)c1oc(c2c1C(=O)c1coc(c1C2=O)F)c1sc(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/C86H56F6N4O10S8Se2/c1-29-20-41(111-33(29)5)56-58-64(89)68(95(9)66(58)54(50-31(3)26-101-79(50)56)39-24-45(107-11)85(109-13)93(39)7)81-38(88)23-44(114-81)76-63-61(71(98)36-28-103-84(92)53(36)73(63)100)78(106-76)49-18-17-48(116-49)74-32(4)51-55(40-25-46(108-12)86(110-14)94(40)8)67-59(57(80(51)104-74)42-21-30(2)34(6)112-42)65(90)69(96(67)10)82-37(87)22-43(113-82)75-62-60(77(105-75)47-16-15-19-115-47)70(97)35-27-102-83(91)52(35)72(62)99/h15-28H,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)c1cc2c(c3c(c(c(o3)c3c(c4c(c(c(c5c(c(c(c6c5nc(cn6)SC)c5cc6c(s5)c(c(n6C)c5cc6c(c7c(c(co7)SC)o6)n5C)C)OC)C)n4C)C)o3)OC)SC)o2)n1C)C	


key: CAN_SMILES
value:
  COc1c(oc2c1n(C)c(c2C)c1c(C)c(OC)c(c2c1nc(SC)cn2)c1sc2c(c1)n(c(c2C)c1cc2c(n1C)c1c(o2)c(co1)SC)C)c1oc2c(c1SC)oc1c2n(C)c(c1)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/C76H68N10O10S6/c1-29-47(57-31(3)65-61(85(57)11)41(87-13)27-91-65)53-51(77-25-45(79-53)98-18)49(63(29)88-14)42-24-38-75(102-42)34(6)56(84(38)10)36-22-40-60(82(36)8)70-72(94-40)76(100-20)73(96-70)71-68(90-16)62-66(95-71)32(4)58(86(62)12)48-30(2)64(89-15)50(52-54(48)80-46(99-19)26-78-52)43-23-37-74(101-43)33(5)55(83(37)9)35-21-39-59(81(35)7)69-67(93-39)44(97-17)28-92-69/h21-28H,1-20H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(c(cn2C)SC)n1C)SC)C)F)c1c(c2c(s1)c(c(o2)c1oc2c(c(c3c(c2C)c(c(o3)c2c(c3c(c(c(c4c(c(c(c5c4nn(n5)C)c4c(c5c(s4)c(c(o5)c4oc5c(c(c6c(c5C)c(co6)C)C)c4F)C)SC)F)C)n3C)SC)n2C)SC)C)C)c1F)C)SC	


key: CAN_SMILES
value:
  CSc1c2oc(c(c2sc1c1c(F)c(C)c(c2c1nn(n2)C)c1n(C)c2c(c1SC)n(cc2SC)C)C)c1oc2c(c1F)c(C)c1c(c2C)c(C)c(o1)c1n(C)c2c(c1SC)n(c(c2SC)c1c(C)c(F)c(c2c1nn(n2)C)c1sc2c(c1SC)oc(c2C)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1)C	


key: InChI
value:
  InChI=1S/C78H68F4N10O6S8/c1-25-24-93-59-31(7)38-46(81)66(95-61(38)28(4)36(25)59)64-33(9)70-68(97-64)77(103-21)73(105-70)43-45(80)27(3)41(49-51(43)86-92(16)84-49)54-75(101-19)56-57(89(54)13)76(102-20)58(90(56)14)63-30(6)37-29(5)62-39(32(8)60(37)94-63)47(82)67(96-62)65-34(10)71-69(98-65)78(104-22)72(106-71)42-44(79)26(2)40(48-50(42)85-91(15)83-48)53-74(100-18)55-52(88(53)12)35(99-17)23-87(55)11/h23-24H,1-22H3


key: SMILES
value:
  c1(c(c(c(c2c1ncc(n2)SC)c1c(c2c(o1)c(cs2)F)OC)SC)F)c1c(c2c(s1)cc(n2C)c1oc2c3sc(cc3[nH]c2c1)c1c(c2c(c(c(c3c(c(c(c4c3nc(cn4)SC)c3c(c4c(s3)cc(n4C)c3oc4c5sccc5[nH]c4c3)SC)F)SC)o2)OC)s1)F)SC	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c1oc3c(c1OC)sc(c3F)c1cc3c(s1)c1c([nH]3)cc(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)c1cc2c(o1)c1c([nH]2)ccs1)C)F)SC	


key: InChI
value:
  InChI=1S/C66H42F4N8O6S12/c1-77-26(28-13-23-49(81-28)56-22(73-23)11-12-91-56)16-30-46(77)63(89-9)62(93-30)36-40(69)60(88-8)38(45-43(36)72-19-34(76-45)86-6)52-55(80-4)66-53(84-52)41(70)58(96-66)32-15-25-57(95-32)50-24(74-25)14-29(82-50)27-17-31-47(78(27)2)64(90-10)61(94-31)35-39(68)59(87-7)37(44-42(35)71-18-33(75-44)85-5)51-54(79-3)65-48(83-51)21(67)20-92-65/h11-20,73-74H,1-10H3


key: SMILES
value:
  c1(c(c(cc2nonc12)OC)OC)c1[se]c2c3[se]c(cc3[nH]c2c1)c1c(c(c(c2c1non2)c1[se]c2c3[se]ccc3[nH]c2c1)OC)OC	


key: CAN_SMILES
value:
  COc1c(c2cc3c([se]2)c2c([nH]3)cc([se]2)c2c(OC)c(OC)cc3c2non3)c2nonc2c(c1OC)c1cc2c([se]1)c1c([nH]2)cc[se]1	


key: InChI
value:
  InChI=1S/C32H20N6O6Se4/c1-39-16-7-12-23(36-43-35-12)20(26(16)40-2)17-9-14-31(47-17)32-15(34-14)10-19(48-32)22-25-24(37-44-38-25)21(27(41-3)28(22)42-4)18-8-13-30(46-18)29-11(33-13)5-6-45-29/h5-10,33-34H,1-4H3


key: SMILES
value:
  c1(c2c(c([se]1)c1ccc[se]1)C(=O)c1c(C2=O)cc(c(c1)F)OC)c1cc(c([se]1)c1cc(c(c2ccc(s2)c2ccc(c3c4c(c([se]3)c3cc(c([se]3)c3cc(c(c5cccs5)s3)SC)OC)C(=O)c3c(C4=O)cc(c(c3)OC)F)[se]2)s1)SC)OC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1ccc(s1)c1ccc([se]1)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)F)OC)c1[se]c(c(c1)OC)c1sc(c(c1)SC)c1cccs1)c1[se]c(cc1OC)c1[se]c(c2c1C(=O)c1c(C2=O)cc(c(c1)OC)F)c1ccc[se]1	


key: InChI
value:
  InChI=1S/C62H36F2O8S6Se6/c1-69-31-19-27-25(17-29(31)63)51(65)47-49(53(27)67)61(83-59(47)43-10-8-16-79-43)45-21-34(72-4)58(81-45)41-24-39(74-6)56(78-41)37-12-11-35(76-37)42-13-14-44(80-42)60-48-50(54(68)28-20-32(70-2)30(64)18-26(28)52(48)66)62(84-60)46-22-33(71-3)57(82-46)40-23-38(73-5)55(77-40)36-9-7-15-75-36/h7-24H,1-6H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)c1cc(c(s1)c1oc2c(c(c3c(c2OC)c(c(o3)c2c(cc(c3c4c(c(o3)c3cc(c(s3)c3oc5c(c(c6c(c5OC)c(co6)C)F)c3F)OC)C(=O)c3c(C4=O)ccc(c3)OC)o2)F)C)F)c1F)OC	


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1cc(c(s1)c1oc2c(c1F)c(F)c1c(c2OC)c(C)co1)OC)c1oc(c(c1)F)c1oc2c(c1C)c(OC)c1c(c2F)c(F)c(o1)c1sc(cc1OC)c1oc(c2c1C(=O)c1c(C2=O)ccc(c1)OC)c1occ(c1)F	


key: InChI
value:
  InChI=1S/C68H36F6O18S2/c1-21-19-86-59-37(21)61(83-7)63-43(45(59)71)47(73)65(91-63)67-34(82-6)18-36(94-67)58-42-40(50(76)27-12-10-25(80-4)15-29(27)52(42)78)56(90-58)32-16-30(70)54(87-32)53-22(2)38-60(88-53)46(72)44-48(74)66(92-64(44)62(38)84-8)68-33(81-5)17-35(93-68)57-41-39(55(89-57)31-13-23(69)20-85-31)49(75)26-11-9-24(79-3)14-28(26)51(41)77/h9-20H,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)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)cc(s3)c1c(cc(c2ccc(c3c2nc(c(n3)c2cc(c(c(c2)C)OC)OC)c2cc(c(c(c2)F)SC)F)c2c(c(c(n2C)c2cc3c(c4c(c(c3n2C)c2cc(c(F)n2C)SC)ccs4)c2cc(c(o2)F)OC)C)C)n1C)SC)c1cc(c(o1)F)OC)C)C	


key: CAN_SMILES
value:
  CSc1cn(c(c1)c1ccc(c2c1nc(c1cc(F)c(c(c1)F)SC)c(n2)c1cc(C)c(c(c1)OC)OC)c1c(C)c(c(n1C)c1cc2c(n1C)c(c1cc(c(n1C)F)SC)c1c(c2c2cc(c(o2)F)OC)sc(c1)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)c1cc2c(n1C)c(c1cc(c(n1C)F)SC)c1c(c2c2cc(c(o2)F)OC)scc1)C)C	


key: InChI
value:
  InChI=1S/C118H102F8N12O8S8/c1-51-33-57(39-82(139-15)109(51)143-19)94-96(59-35-70(119)113(151-25)71(120)36-59)127-98-62(74-41-61(147-21)50-131(74)7)27-29-65(100(98)129-94)102-53(3)56(6)105(137(102)13)79-43-68-93(81-49-85(142-18)118(126)146-81)112-69(91(107(68)134(79)10)77-47-89(150-24)116(124)136(77)12)44-87(154-112)108-86(148-22)45-75(132(108)8)63-28-30-66(101-99(63)128-97(60-37-72(121)114(152-26)73(122)38-60)95(130-101)58-34-52(2)110(144-20)83(40-58)140-16)103-54(4)55(5)104(138(103)14)78-42-67-92(80-48-84(141-17)117(125)145-80)111-64(31-32-153-111)90(106(67)133(78)9)76-46-88(149-23)115(123)135(76)11/h27-50H,1-26H3


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)cc(n3C)c2c(cc(c3c4c(c(o3)c3cc(c(o3)c3sc5c(c(c6c(c5c5cc(c(cc5)OC)C)ccn6C)c5cc(c(c(c5)F)OC)F)c3SC)F)C(=O)c3c(C4=O)c([se]c3OC)C)s2)SC)c2cc(c(c(c2)F)OC)F)c1SC)F	


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)cc(n1C)c1sc(cc1SC)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)F	


key: InChI
value:
  InChI=1S/C96H66F6N2O14S8Se2/c1-35-23-39(17-19-53(35)109-7)62-44-21-22-103(5)74(44)64(41-25-46(97)80(111-9)47(98)26-41)72-89(62)125-93(91(72)121-15)82-51(102)32-56(116-82)85-67-69(77(106)61-38(4)128-96(114-12)71(61)79(67)108)87(118-85)58-33-59(120-14)88(124-58)52-30-45-63(40-18-20-54(110-8)36(2)24-40)90-73(65(75(45)104(52)6)42-27-48(99)81(112-10)49(100)28-42)92(122-16)94(126-90)83-50(101)31-55(115-83)84-66-68(86(117-84)57-29-43(119-13)34-123-57)76(105)60-37(3)127-95(113-11)70(60)78(66)107/h17-34H,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)c1cc(c(c2ccc(s2)c2c(c3c(c(c(c4c(c(c(c5c4nc(cn5)SC)c4c(c5c(s4)cc(n5C)c4cc(c(c5cccs5)s4)SC)SC)F)SC)o3)OC)s2)F)s1)SC)SC	


key: CAN_SMILES
value:
  COc1c2sc(c(c2oc1c1c(SC)c(F)c(c2c1nc(SC)cn2)c1sc2c(c1SC)n(c(c2)c1cc(c(s1)c1cccs1)SC)C)F)c1ccc(s1)c1sc(cc1SC)c1cc2c(n1C)c(c(s2)c1c(F)c(SC)c(c2c1ncc(n2)SC)c1oc2c(c1OC)scc2F)SC	


key: InChI
value:
  InChI=1S/C68H48F4N6O4S16/c1-77-26(31-20-35(83-5)58(94-31)28-14-13-17-91-28)18-33-50(77)65(89-11)64(96-33)40-44(71)62(88-10)42(49-47(40)74-23-38(76-49)86-8)54-57(80-4)68-55(82-54)45(72)60(98-68)30-16-15-29(93-30)59-36(84-6)21-32(95-59)27-19-34-51(78(27)2)66(90-12)63(97-34)39-43(70)61(87-9)41(48-46(39)73-22-37(75-48)85-7)53-56(79-3)67-52(81-53)25(69)24-92-67/h13-24H,1-12H3


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1oc2c(c(c3c(c2)c(c(n3C)c2c(c(c(c3c(c(c(c4c3non4)c3c(cc(o3)c3oc4c(c(c5c(c4)c(cn5C)F)F)c3F)F)F)SC)s2)OC)F)F)F)c1F)F	


key: CAN_SMILES
value:
  COc1c(sc(c1F)c1n(C)c2c(c1F)cc1c(c2F)c(F)c(o1)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F)c1c(SC)c(F)c(c2c1non2)c1oc(cc1F)c1oc2c(c1F)c(F)c1c(c2)c(F)cn1C	


key: InChI
value:
  InChI=1S/C54H24F12N6O8S4/c1-71-11-17(57)13-7-19-23(30(60)41(13)71)32(62)47(75-19)21-9-16(56)45(77-21)26-35(65)51(82-6)28(40-38(26)68-80-70-40)53-49(74-4)36(66)54(84-53)43-29(59)14-8-20-24(31(61)42(14)72(43)2)33(63)48(76-20)22-10-15(55)44(78-22)25-34(64)50(81-5)27(39-37(25)67-79-69-39)52-46(73-3)18(58)12-83-52/h7-12H,1-6H3


key: SMILES
value:
  c1(c(cc(c2nonc12)c1c(c(cn1C)F)SC)F)c1c(c(c(s1)c1oc2c3sc(cc3[GeH2]c2c1)c1c(c(c(c2cc(c(c3c2non3)c2c(c(c(s2)c2oc3c4sccc4[GeH2]c3c2)SC)C)F)n1C)SC)F)SC)C	


key: CAN_SMILES
value:
  CSc1c(c2cc(F)c(c3c2non3)c2sc(c(c2C)SC)c2cc3c(o2)c2c([GeH2]3)ccs2)n(c(c1F)c1cc2c(s1)c1c([GeH2]2)cc(o1)c1sc(c(c1SC)C)c1c(F)cc(c2c1non2)c1n(C)cc(c1SC)F)C	


key: InChI
value:
  InChI=1S/C52H36F4Ge2N6O4S8/c1-17-43(31-21(53)11-19(34-36(31)61-67-59-34)38-47(71-7)23(55)16-63(38)3)76-51(46(17)70-6)29-14-26-42(66-29)49-27(58-26)15-30(74-49)40-33(56)52(72-8)39(64(40)4)20-12-22(54)32(37-35(20)60-68-62-37)44-18(2)45(69-5)50(75-44)28-13-25-41(65-28)48-24(57-25)9-10-73-48/h9-16H,57-58H2,1-8H3


key: InChI
value:
  InChI=1S/C34H26N4O6S6/c1-39-16-11-12-41-30(16)21-9-7-20(49-21)26-29-28(37-44-38-29)24(33(47-5)34(26)48-6)17-14-18(40-2)31(42-17)22-10-8-19(50-22)25-27-15(35-43-36-27)13-23(45-3)32(25)46-4/h7-14H,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)c1c(cc(c2c(cc(n2C)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(cc(c5c(ccn5C)SC)o4)OC)F)SC)C)n3C)F)s2)SC)SC)o1)OC)F	


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)cc(n1C)c1sc2c(c1SC)n(c(c2F)c1c(C)c(SC)c(c2c1nc(c1ccc(c(c1)OC)C)c(n2)c1cc(C)cc(c1)C)c1sc2c(c1)n(c(c2F)c1oc(cc1OC)c1c(SC)ccn1C)C)C	


key: InChI
value:
  InChI=1S/C104H92F4N10O6S10/c1-45-31-46(2)34-55(33-45)81-79(53-27-25-49(5)60(37-53)119-15)109-83-71(90-75(105)102-89(117(90)13)70(127-21)44-131-102)51(7)97(128-22)73(85(83)111-81)67-40-58-100(133-67)78(108)93(116(58)12)96-65(122-18)43-63(124-96)88-69(126-20)41-59(114(88)10)101-104(130-24)94-103(134-101)76(106)91(118(94)14)72-52(8)98(129-23)74(86-84(72)110-80(54-28-26-50(6)61(38-54)120-16)82(112-86)56-35-47(3)32-48(4)36-56)68-39-57-99(132-68)77(107)92(115(57)11)95-64(121-17)42-62(123-95)87-66(125-19)29-30-113(87)9/h25-44H,1-24H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)F)C)c1cc(cc(c1)OC)SC)c1c(c(cn1C)OC)SC)SC)SC)c1ccc(o1)c1c(c2c(c(c(n2C)c2c(c(c(c3c(c(c(c4c3nc(c(n4)c3cc(cc(c3)OC)SC)c3cc(c(c(c3)C)F)C)c3ccc(o3)c3c(c4c(c(cn4C)C)s3)SC)SC)SC)n2C)SC)OC)C)s1)SC	


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3sc4c(c3SC)n(cc4C)C)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1c(SC)c(c(n1C)c1c(C)c2c(n1C)c(c(s2)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)SC)OC)SC	


key: InChI
value:
  InChI=1S/C92H88F2N8O6S12/c1-41-29-47(30-42(2)64(41)93)66-68(49-33-51(103-11)37-53(35-49)109-15)95-70-60(86(112-18)88(114-20)62(72(70)97-66)75-83(111-17)59(105-13)40-100(75)8)55-26-28-58(108-55)85-92(118-24)79-82(120-85)46(6)74(101(79)9)77-80(106-14)90(116-22)76(102(77)10)63-73-71(96-69(50-34-52(104-12)38-54(36-50)110-16)67(98-73)48-31-43(3)65(94)44(4)32-48)61(87(113-19)89(63)115-21)56-25-27-57(107-56)84-91(117-23)78-81(119-84)45(5)39-99(78)7/h25-40H,1-24H3


key: SMILES
value:
  c1(c2c(c([se]1)c1cc(c[se]1)F)C(=O)c1c(C2=O)cc(c(c1)OC)C)c1cc(c(s1)c1oc2c(c(c3c(c2c2cc(c(c(c2)C)F)F)c(c(s3)c2c(cc(c3c4c(c([se]3)c3cc(c(s3)c3oc5c(c(c6c(c5c5cc(c(c(c5)C)F)F)c(cs6)OC)c5ccc(cc5)C)c3C)F)C(=O)c3c(C4=O)cc(c(c3)C)OC)[se]2)F)OC)c2ccc(cc2)C)c1C)F	


key: CAN_SMILES
value:
  COc1cc2c(cc1C)C(=O)c1c(C2=O)c([se]c1c1cc(c(s1)c1oc2c(c1C)c(c1ccc(cc1)C)c1c(c2c2cc(C)c(c(c2)F)F)c(OC)cs1)F)c1[se]c(c(c1)F)c1sc2c(c1OC)c(c1cc(C)c(c(c1)F)F)c1c(c2c2ccc(cc2)C)c(C)c(o1)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/C96H58F8O10S4Se4/c1-35-13-17-43(18-14-35)68-64-41(7)82(113-84(64)66(70-59(111-11)33-115-89(68)70)45-21-39(5)76(103)52(98)25-45)87-55(101)31-61(117-87)94-72-74(81(108)51-29-58(110-10)38(4)24-49(51)79(72)106)96(122-94)63-32-56(102)92(120-63)91-86(112-12)75-67(46-22-40(6)77(104)53(99)26-46)85-65(69(90(75)118-91)44-19-15-36(2)16-20-44)42(8)83(114-85)88-54(100)30-60(116-88)93-71-73(95(121-93)62-27-47(97)34-119-62)80(107)50-28-57(109-9)37(3)23-48(50)78(71)105/h13-34H,1-12H3


key: InChI
value:
  InChI=1S/C36H34N8S4/c1-19-9-10-23-34(39-43(5)37-23)31(19)28-14-12-27(48-28)25-17-30(46-8)36(42(25)4)22-15-20(2)32(35-33(22)38-44(6)40-35)29-13-11-26(47-29)24-16-21(45-7)18-41(24)3/h9-18H,1-8H3


key: InChI
value:
  InChI=1S/C38H28F2N4O4S4/c1-17-15-41-33-22(43-17)8-7-20(39)30(33)23-12-26(46-4)36(48-23)38-29(50-6)14-28(52-38)19-11-21(40)31(34-32(19)44-18(2)16-42-34)24-13-25(45-3)35(47-24)37-27(49-5)9-10-51-37/h7-16H,1-6H3


key: InChI
value:
  InChI=1S/C34H26F2N6O4/c1-15-13-37-27-20(39-15)8-7-18(35)24(27)29-34(44-6)32-22(42(29)4)12-23(46-32)17-11-19(36)25(28-26(17)40-16(2)14-38-28)30-33(43-5)31-21(41(30)3)9-10-45-31/h7-14H,1-6H3


key: InChI
value:
  InChI=1S/C34H24F2N8O4S2/c1-41-19(11-20-27(41)31-29(46-20)22(49-5)12-45-31)15-9-16(36)23(26-25(15)39-44(4)40-26)30-34(50-6)33-32(48-30)28-21(47-33)10-18(42(28)2)14-7-13(35)8-17-24(14)38-43(3)37-17/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C32H28N6O8S2/c1-37-23-17(41-5)12-45-31(23)28(42-6)25(37)19-16(40-4)11-13(20-22(19)36-48-34-20)27-30(44-8)26-32(46-27)29(43-7)24(38(26)2)18-15(39-3)10-9-14-21(18)35-47-33-14/h9-12H,1-8H3


key: SMILES
value:
  c1(c(c(cc2nonc12)OC)OC)c1oc2c(c(c3c(c2C)c(c(o3)c2c(c(c(c3c2non3)c2oc3c(c(c4c(c3C)c(co4)C)C)c2F)OC)OC)C)C)c1F	


key: CAN_SMILES
value:
  COc1cc2nonc2c(c1OC)c1oc2c(c1F)c(C)c1c(c2C)c(C)c(o1)c1c(OC)c(OC)c(c2c1non2)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1	


key: InChI
value:
  InChI=1S/C42H32F2N4O10/c1-13-12-53-33-17(5)23-28(43)40(55-35(23)14(2)21(13)33)27-32-31(47-58-48-32)26(41(51-9)42(27)52-10)37-16(4)22-15(3)36-24(18(6)34(22)54-37)29(44)39(56-36)25-30-19(45-57-46-30)11-20(49-7)38(25)50-8/h11-12H,1-10H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)C)F)C)c1cc(cc(c1)OC)SC)c1c(c(cn1C)OC)SC)SC)SC)c1ccc(o1)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F	


key: CAN_SMILES
value:
  COc1cc(SC)cc(c1)c1nc2c(c3ccc(o3)c3c(F)c4c(n3C)c(c3cc(c(n3C)SC)SC)c3c(c4c4cc(c(s4)C)C)occ3C)c(SC)c(c(c2nc1c1cc(C)c(c(c1)C)F)c1n(C)cc(c1SC)OC)SC	


key: InChI
value:
  InChI=1S/C62H59F2N5O4S7/c1-28-21-41(80-32(28)5)46-47-50(64)55(69(8)56(47)44(43-31(4)27-72-58(43)46)37-25-42(75-12)62(79-16)68(37)7)39-18-17-38(73-39)45-53-54(48(61(78-15)60(45)77-14)57-59(76-13)40(71-10)26-67(57)6)66-51(33-19-29(2)49(63)30(3)20-33)52(65-53)34-22-35(70-9)24-36(23-34)74-11/h17-27H,1-16H3


key: InChI
value:
  InChI=1S/C15H10FGeN3SSe/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(c2c(c(o1)c1cc(co1)F)C(=O)c1c(C2=O)cc(cc1)OC)c1cc(c(s1)c1[se]c2c3oc(cc3[SiH2]c2c1)c1c(cc(c2c3c(c(o2)c2cc(c(s2)c2[se]c4c5occc5[SiH2]c4c2)OC)C(=O)c2c(C3=O)ccc(c2)OC)o1)F)OC	


key: CAN_SMILES
value:
  COc1ccc2c(c1)C(=O)c1c(C2=O)c(oc1c1sc(c(c1)OC)c1cc2c([se]1)c1c([SiH2]2)cco1)c1oc(c(c1)F)c1cc2c(o1)c1c([SiH2]2)cc([se]1)c1sc(cc1OC)c1oc(c2c1C(=O)c1c(C2=O)ccc(c1)OC)c1occ(c1)F	


key: InChI
value:
  InChI=1S/C60H32F2O14S2Se2Si2/c1-67-22-5-7-24-26(12-22)48(65)44-42(46(24)63)51(29-11-21(61)20-72-29)75-53(44)34-15-33(70-4)58(77-34)37-19-41-60(80-37)56-39(82-41)17-31(74-56)50-28(62)14-30(73-50)52-43-45(49(66)27-13-23(68-2)6-8-25(27)47(43)64)54(76-52)35-16-32(69-3)57(78-35)36-18-40-59(79-36)55-38(81-40)9-10-71-55/h5-20H,81-82H2,1-4H3


key: SMILES
value:
  c1(c(c(cc2c1nc(c(n2)c1cccc(c1)OC)c1cc(c(c(c1)OC)F)SC)SC)F)c1ccc(c2c(cc(o2)c2c(c(c(c3c2nc(c(n3)c2cc(c(c(c2)OC)F)SC)c2cccc(c2)OC)c2ccc(c3c(cco3)OC)s2)F)SC)OC)s1	


key: CAN_SMILES
value:
  COc1cccc(c1)c1nc2c(c3oc(c(c3)OC)c3ccc(s3)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)c1ccc(s1)c1occc1OC)F	


key: InChI
value:
  InChI=1S/C66H50F4N4O8S6/c1-75-35-15-11-13-31(23-35)57-59(33-25-40(78-4)53(67)47(27-33)83-7)72-61-37(71-57)29-49(85-9)55(69)51(61)43-18-20-46(88-43)65-42(80-6)30-39(82-65)50-62-63(52(56(70)66(50)86-10)44-17-19-45(87-44)64-38(77-3)21-22-81-64)74-60(34-26-41(79-5)54(68)48(28-34)84-8)58(73-62)32-14-12-16-36(24-32)76-2/h11-30H,1-10H3


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(cc(o2)c2c(c(c(c3c(c(c(c4c3nc(c(n4)C)F)c3c(c(c(n3C)c3c(c4c(cco4)n3C)OC)OC)C)C)SC)s2)F)SC)n1C)OC)OC)C	


key: CAN_SMILES
value:
  CSc1c(sc(c1F)c1c(SC)c(C)c(c2c1nc(F)c(n2)C)c1c(C)c(c(n1C)c1n(C)c2c(c1OC)occ2)OC)c1cc2c(o1)c(c(n2C)c1n(C)c(c(c1OC)C)c1c(C)c(SC)c(c2c1nc(C)c(n2)F)c1scc(c1F)SC)OC	


key: InChI
value:
  InChI=1S/C62H58F4N8O6S6/c1-23-33(39-41(69-61(65)27(5)67-39)35(55(23)82-16)58-37(63)32(81-15)22-85-58)43-26(4)50(76-12)46(74(43)10)48-54(78-14)52-30(72(48)8)21-31(80-52)57-60(84-18)38(64)59(86-57)36-42-40(68-28(6)62(66)70-42)34(24(2)56(36)83-17)44-25(3)49(75-11)45(73(44)9)47-53(77-13)51-29(71(47)7)19-20-79-51/h19-22H,1-18H3


key: SMILES
value:
  c1(c2c(c(o1)c1cc(cs1)C)C(=O)c1c(sc(c1C2=O)F)SC)c1ccc(s1)c1cc2c(c3c(c(c(o3)c3c(cc(c4c5c(c(o4)c4ccc(s4)c4cc6c(c7c(c(co7)SC)o6)n4C)C(=O)c4c(C5=O)c(sc4F)SC)s3)C)SC)o2)n1C	


key: CAN_SMILES
value:
  CSc1sc(c2c1C(=O)c1c(oc(c1C2=O)c1ccc(s1)c1cc2c(n1C)c1c(o2)c(co1)SC)c1cc(c(s1)c1oc2c(c1SC)oc1c2n(C)c(c1)c1ccc(s1)c1oc(c2c1C(=O)c1c(C2=O)c(sc1F)SC)c1scc(c1)C)C)F	


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


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)F)C)c1c(c2c(o1)c(cn2C)SC)C)SC)c1cc2c(o1)c(c(s2)c1oc2c3[se]c(cc3[nH]c2c1)c1c(c2c(c(c(c3cc(c(c4c3nc(c(n4)C)F)c3cc4c(o3)c(c(s4)c3oc4c5[se]ccc5[nH]c4c3)SC)SC)o2)C)n1C)SC)SC	


key: CAN_SMILES
value:
  CSc1cc(c2c(c1c1cc3c(o1)c(c(s3)c1cc3c(o1)c1c([nH]3)cc[se]1)SC)nc(c(n2)F)C)c1oc2c(c1C)n(c(c2SC)c1cc2c([se]1)c1c([nH]2)cc(o1)c1sc2c(c1SC)oc(c2)c1c(SC)cc(c2c1nc(C)c(n2)F)c1oc2c(c1C)n(cc2SC)C)C	


key: InChI
value:
  InChI=1S/C68H48F2N8O6S8Se2/c1-23-49-56(41(87-9)22-77(49)5)83-52(23)27-15-37(85-7)43(47-45(27)75-67(69)25(3)71-47)33-21-40-58(80-33)64(90-12)61(92-40)36-18-31-55(82-36)66-32(74-31)19-42(94-66)51-62(88-10)59-50(78(51)6)24(2)53(84-59)28-16-38(86-8)44(48-46(28)76-68(70)26(4)72-48)34-20-39-57(79-34)63(89-11)60(91-39)35-17-30-54(81-35)65-29(73-30)13-14-93-65/h13-22,73-74H,1-12H3


key: SMILES
value:
  c1(c(c(cc2c1ncc(n2)SC)OC)F)c1oc2c(c(c3c(c2)c(c(n3C)c2c(c(c(c3c2nc(cn3)SC)c2oc3c(c(c4c(c3)c(cn4C)F)F)c2F)F)OC)F)F)c1F	


key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c(c(c2c1oc2c(c1F)c(F)c1c(c2)c(F)cn1C)F)OC)c1n(C)c2c(c1F)cc1c(c2F)c(F)c(o1)c1c(F)c(OC)cc2c1ncc(n2)SC	


key: InChI
value:
  InChI=1S/C42H24F8N6O4S2/c1-55-12-15(43)13-7-17-22(29(46)37(13)55)31(48)42(59-17)25-33(50)40(58-4)26(36-35(25)52-11-21(54-36)62-6)39-27(44)14-8-18-23(30(47)38(14)56(39)2)32(49)41(60-18)24-28(45)19(57-3)9-16-34(24)51-10-20(53-16)61-5/h7-12H,1-6H3


key: InChI
value:
  InChI=1S/C15H9FN4OS/c1-20-18-10-5-7(16)4-8(13(10)19-20)12-6-11-14(21-12)15-9(17-11)2-3-22-15/h2-6,17H,1H3


key: InChI
value:
  InChI=1S/C14H8F2N2O3S2/c1-19-7-3-6-10(18-21-17-6)8(11(7)20-2)13-9(16)14-12(23-13)5(15)4-22-14/h3-4H,1-2H3


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)cc(s3)c1c(c(c(c2c(c(c(c3c2non3)c2c(cc(o2)c2cc3c(c4c(c(c3n2C)c2cc(c(F)n2C)SC)ccs4)c2cc(c(o2)F)OC)F)F)SC)s1)OC)F)c1cc(c(o1)F)OC)F	


key: CAN_SMILES
value:
  COc1c(F)c(sc1c1c(SC)c(F)c(c2c1non2)c1oc(cc1F)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)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F	


key: InChI
value:
  InChI=1S/C76H48F10N8O10S8/c1-91-32(15-26-47(38-22-40(95-5)75(85)101-38)66-25(13-14-109-66)45(60(26)91)34-20-43(105-9)73(83)93(34)3)36-18-30(78)63(99-36)50-54(81)70(108-12)52(59-57(50)88-104-90-59)72-65(98-8)55(82)68(112-72)42-17-28-46(35-21-44(106-10)74(84)94(35)4)61-27(48(67(28)111-42)39-23-41(96-6)76(86)102-39)16-33(92(61)2)37-19-29(77)62(100-37)49-53(80)69(107-11)51(58-56(49)87-103-89-58)71-64(97-7)31(79)24-110-71/h13-24H,1-12H3


key: SMILES
value:
  c1(c(c(c(c2nonc12)c1c(c(cs1)F)OC)SC)F)c1c(cc(o1)c1oc2c(c(c3c(c2C)c(c(o3)c2c(c(c(c3c(c(c(c4c3non4)c3c(cc(o3)c3oc4c(c(c5c(c4C)c(co5)C)C)c3F)F)F)SC)s2)OC)F)C)C)c1F)F	


key: CAN_SMILES
value:
  COc1c(F)c(sc1c1c(SC)c(F)c(c2c1non2)c1oc(cc1F)c1oc2c(c1F)c(C)c1c(c2C)c(C)co1)c1oc2c(c1C)c(C)c1c(c2C)c(F)c(o1)c1cc(c(o1)c1c(F)c(SC)c(c2c1non2)c1scc(c1OC)F)F	


key: InChI
value:
  InChI=1S/C58H34F8N4O10S4/c1-15-13-73-43-19(5)28-34(62)51(77-45(28)16(2)26(15)43)24-11-22(60)49(74-24)31-37(65)55(82-10)33(42-40(31)68-80-70-42)57-53(72-8)38(66)58(84-57)47-18(4)27-17(3)46-29(20(6)44(27)76-47)35(63)52(78-46)25-12-21(59)48(75-25)30-36(64)54(81-9)32(41-39(30)67-79-69-41)56-50(71-7)23(61)14-83-56/h11-14H,1-10H3


key: SMILES
value:
  c1(c(c(cc2nonc12)SC)SC)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)SC)SC)SC)c1cc(c(s1)C)F)C	


key: CAN_SMILES
value:
  CSc1ccc(s1)c1c2c(SC)c(sc2c(c2c1n(C)c(c2C)c1c(SC)c(SC)cc2c1non2)c1cc(c(s1)C)F)c1c(SC)c(SC)c(c2c1non2)c1c(C)c2c(n1C)c(c1ccc(s1)SC)c1c(c2c2cc(c(s2)C)F)scc1SC	


key: InChI
value:
  InChI=1S/C62H50F2N6O2S14/c1-23-38-42(32-19-27(63)25(3)82-32)57-44(35(74-8)22-81-57)40(30-15-17-36(75-9)84-30)54(38)70(6)53(23)47-50-51(68-72-67-50)48(61(80-14)60(47)79-13)62-59(78-12)45-41(31-16-18-37(76-10)85-31)55-39(43(58(45)86-62)33-20-28(64)26(4)83-33)24(2)52(69(55)5)46-49-29(65-71-66-49)21-34(73-7)56(46)77-11/h15-22H,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)c1c(c2c(c(c(n2C)c2c(cc(c3c4c(c([se]3)c3cc(c(s3)c3c(c5c(c(cn5C)C)s3)SC)F)C(=O)c3c(C4=O)cc(c(c3)C)OC)[se]2)F)C)s1)SC)F	


key: CAN_SMILES
value:
  COc1cc2c(cc1C)C(=O)c1c(C2=O)c([se]c1c1cc(c(s1)c1sc2c(c1SC)n(cc2C)C)F)c1cc(c([se]1)c1n(C)c2c(c1C)sc(c2SC)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/C62H40F4N2O6S6Se4/c1-21-11-26-28(14-33(21)73-7)48(71)41-39(46(26)69)59(83-61(41)37-13-25(63)20-81-37)35-17-31(65)53(78-35)57-55(76-10)45-51(80-57)24(4)43(68(45)6)58-32(66)18-38(82-58)62-42-40(47(70)27-12-22(2)34(74-8)15-29(27)49(42)72)60(84-62)36-16-30(64)52(77-36)56-54(75-9)44-50(79-56)23(3)19-67(44)5/h11-20H,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)c1oc2c(c(c3c(c2OC)c(c(o3)c2cc(c(c3c(c(c(c4c3nc(c(n4)c3cc(c(c(c3)C)F)SC)c3cc(c(c(c3)SC)OC)OC)c3c(c(c(n3C)c3oc4c(c(c5c(c4OC)c(co5)C)F)c3F)SC)C)OC)C)o2)OC)C)F)c1F)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)c1oc2c(c1F)c(F)c1c(c2OC)c(C)co1)SC)c1oc2c(c1C)c(OC)c1c(c2F)c(F)c(o1)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/C102H90F6N6O16S6/c1-39-29-47(33-56(131-21)68(39)103)74-76(49-31-52(116-12)89(121-17)58(35-49)133-23)109-78-61(91-51(115-11)27-28-125-91)42(4)87(119-15)66(80(78)111-74)82-45(7)102(136-26)85(113(82)9)100-73(108)65-71(106)94-63(96(124-20)98(65)130-100)44(6)86(128-94)55-37-54(118-14)92(127-55)62-43(5)88(120-16)67(83-46(8)101(135-25)84(114(83)10)99-72(107)64-70(105)93-60(41(3)38-126-93)95(123-19)97(64)129-99)81-79(62)110-77(50-32-53(117-13)90(122-18)59(36-50)134-24)75(112-81)48-30-40(2)69(104)57(34-48)132-22/h27-38H,1-26H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)C)c1c(c(co1)F)SC)F)OC)c1c(c(c(s1)c1cc2c(c3c(c(c(o3)c3c(c(c(c4c(c(c(c5c4nc(c(n5)C)OC)c4c(c(c(s4)c4cc5c(c6c(c(co6)C)o5)n4C)F)SC)OC)F)o3)SC)F)C)o2)n1C)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)c1c(o2)c(co1)C)c1oc2c(c1C)oc1c2n(C)c(c1)c1sc(c(c1F)SC)c1c(OC)c(F)c(c2c1nc(C)c(n2)OC)c1occ(c1SC)F	


key: InChI
value:
  InChI=1S/C62H46F6N6O10S6/c1-19-17-79-51-41-26(81-43(19)51)15-24(73(41)5)54-35(67)59(87-13)57(89-54)31-40-38(72-62(78-10)22(4)70-40)29(33(65)47(31)76-8)49-58(86-12)34(66)50(84-49)44-20(2)45-52(83-44)42-27(82-45)16-25(74(42)6)55-36(68)60(88-14)56(90-55)30-39-37(71-61(77-9)21(3)69-39)28(32(64)46(30)75-7)48-53(85-11)23(63)18-80-48/h15-18H,1-14H3


key: SMILES
value:
  c1(c(c(c(c2c1nccn2)c1c(c(co1)SC)SC)F)F)c1c(c(c(n1C)c1c(c2c(c(c(n2C)c2c(c(c(c3c(c(c(c4c3nccn4)c3c(c(c(n3C)c3c(c4c(c(cn4C)C)s3)SC)OC)C)F)F)o2)SC)SC)C)s1)SC)OC)C	


key: CAN_SMILES
value:
  CSc1c(SC)c(oc1c1c(C)c2c(n1C)c(c(s2)c1c(OC)c(c(n1C)c1c(F)c(F)c(c2c1nccn2)c1occ(c1SC)SC)C)SC)c1c(F)c(F)c(c2c1nccn2)c1c(C)c(c(n1C)c1sc2c(c1SC)n(cc2C)C)OC	


key: InChI
value:
  InChI=1S/C60H54F4N8O4S8/c1-23-21-69(5)45-52(23)83-57(55(45)79-13)43-47(73-9)24(2)41(70(43)6)29-33(62)35(64)31(39-37(29)66-18-20-68-39)50-59(81-15)60(82-16)51(76-50)42-26(4)53-46(72(42)8)56(80-14)58(84-53)44-48(74-10)25(3)40(71(44)7)28-32(61)34(63)30(38-36(28)65-17-19-67-38)49-54(78-12)27(77-11)22-75-49/h17-22H,1-16H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cs1)F)SC)F)c1c(c(c(o1)c1ccc(c2cc(c(n2C)c2c(c(c(c3cc(c(c4c3nn(n4)C)c3c(c(c(o3)c3ccc(c4cc(cn4C)SC)s3)OC)OC)F)s2)SC)F)SC)s1)OC)OC	


key: CAN_SMILES
value:
  CSc1cn(c(c1)c1ccc(s1)c1oc(c(c1OC)OC)c1c(F)cc(c2c1nn(n2)C)c1sc(c(c1SC)F)c1c(SC)cc(n1C)c1ccc(s1)c1oc(c(c1OC)OC)c1c(F)cc(c2c1nn(n2)C)c1scc(c1SC)F)C	


key: InChI
value:
  InChI=1S/C56H46F4N8O6S8/c1-65-21-23(75-9)17-29(65)31-13-15-33(80-31)44-48(69-5)51(72-8)47(73-44)37-27(58)19-25(40-42(37)64-68(4)62-40)53-56(78-12)38(60)55(82-53)43-35(76-10)20-30(66(43)2)32-14-16-34(81-32)45-49(70-6)50(71-7)46(74-45)36-26(57)18-24(39-41(36)63-67(3)61-39)52-54(77-11)28(59)22-79-52/h13-22H,1-12H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)OC)SC)OC)c1c(cc(c2c(cc(n2C)c2cc(c(c3c2nc(c(n3)SC)OC)c2c(cc(c3c(ccn3C)SC)o2)OC)OC)SC)o1)OC	


key: CAN_SMILES
value:
  CSc1cc(n(c1c1oc(c(c1)OC)c1c(OC)ccc2c1nc(SC)c(n2)OC)C)c1cc(OC)c(c2c1nc(OC)c(n2)SC)c1oc(cc1OC)c1n(C)ccc1SC	


key: InChI
value:
  InChI=1S/C44H44N6O8S4/c1-49-16-15-30(59-9)37(49)26-19-28(53-5)40(57-26)33-25(52-4)17-21(34-36(33)48-44(62-12)42(46-34)56-8)23-18-31(60-10)38(50(23)2)27-20-29(54-6)39(58-27)32-24(51-3)14-13-22-35(32)47-43(61-11)41(45-22)55-7/h13-20H,1-12H3


key: SMILES
value:
  c1(c(cc(c2nsnc12)c1c(c(co1)SC)F)C)c1c(c(c(n1C)c1cc2c(c3c(c(c(o3)c3c(c(c(c4cc(c(c5c4nsn5)c4c(c(c(n4C)c4cc5c(c6c(c(co6)F)s5)s4)C)SC)C)o3)F)SC)F)s2)s1)C)SC	


key: CAN_SMILES
value:
  CSc1c(oc(c1F)c1cc(C)c(c2c1nsn2)c1n(C)c(c(c1SC)C)c1cc2c(s1)c1c(s2)c(co1)F)c1oc2c(c1F)sc1c2sc(c1)c1n(C)c(c(c1C)SC)c1c(C)cc(c2c1nsn2)c1occ(c1F)SC	


key: InChI
value:
  InChI=1S/C54H36F4N6O4S10/c1-17-11-21(42-31(56)28(69-7)16-66-42)34-36(61-77-59-34)29(17)40-49(71-9)20(4)39(64(40)6)25-14-27-52(74-25)47-54(76-27)33(58)44(68-47)45-53(72-10)32(57)43(67-45)22-12-18(2)30(37-35(22)60-78-62-37)41-48(70-8)19(3)38(63(41)5)24-13-26-51(73-24)46-50(75-26)23(55)15-65-46/h11-16H,1-10H3


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)c1cc(c(c2ccc(s2)c2c(cc(c3c4c(c([se]3)c3cc(c(s3)c3cc(c(c5cccs5)s3)SC)F)C(=O)c3c(C4=O)cc(c(c3)C)OC)[se]2)F)s1)SC)F	


key: CAN_SMILES
value:
  CSc1cc(sc1c1ccc(s1)c1[se]c(cc1F)c1[se]c(c2c1C(=O)c1cc(OC)c(cc1C2=O)C)c1cc(c(s1)c1cc(c(s1)c1cccs1)SC)F)c1sc(cc1F)c1[se]c(c2c1C(=O)c1cc(C)c(cc1C2=O)OC)c1[se]cc(c1)F	


key: InChI
value:
  InChI=1S/C62H34F4O6S8Se4/c1-23-12-26-28(15-33(23)71-3)52(69)48-46(50(26)67)59(83-61(48)44-14-25(63)22-81-44)42-17-31(65)55(79-42)41-21-39(74-6)57(78-41)36-9-10-37(76-36)58-32(66)19-45(82-58)62-49-47(51(68)27-13-24(2)34(72-4)16-29(27)53(49)70)60(84-62)43-18-30(64)54(80-43)40-20-38(73-5)56(77-40)35-8-7-11-75-35/h7-22H,1-6H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1sc2c(c(c3c(c2OC)c(c(n3C)c2cc(c(c3c2nc(c(n3)c2cc(ccc2)F)c2cc(c(c(c2)SC)OC)SC)c2sc3c(c(c4c(c3OC)c(cn4C)C)OC)c2C)F)C)OC)c1C	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C76H64F4N6O6S6/c1-33-32-85(5)65-51(33)71(91-11)75-53(69(65)89-9)35(3)74(98-75)56-45(80)31-43(61-63(56)84-58(38-20-18-22-42(78)26-38)60(82-61)40-29-49(95-15)68(88-8)50(30-40)96-16)64-34(2)52-66(86(64)6)70(90-10)54-36(4)73(97-76(54)72(52)92-12)55-44(79)23-24-46-62(55)83-57(37-19-17-21-41(77)25-37)59(81-46)39-27-47(93-13)67(87-7)48(28-39)94-14/h17-32H,1-16H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C52H30F6N6O8S8/c1-63-59-29-15(44-47(73-7)20(56)14-75-44)9-17(53)25(31(29)61-63)35-40(67-5)39(66-4)34(71-35)22-12-24-49(77-22)43-50(79-24)27(57)37(72-43)51-28(58)52(74-8)45(80-51)16-10-18(54)26(32-30(16)60-64(2)62-32)36-41(68-6)38(65-3)33(70-36)21-11-23-48(76-21)42-46(78-23)19(55)13-69-42/h9-14H,1-8H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C66H42F4N8O4S10Se4/c1-77-26(30-13-23-64(94-30)63-22(73-23)11-12-93-63)16-28-46(77)59(87-9)58(90-28)36-40(69)56(86-8)38(45-43(36)72-19-34(76-45)84-6)50-53(80-4)62-51(82-50)41(70)54(92-62)32-15-25-66(96-32)65-24(74-25)14-31(95-65)27-17-29-47(78(27)2)60(88-10)57(91-29)35-39(68)55(85-7)37(44-42(35)71-18-33(75-44)83-5)49-52(79-3)61-48(81-49)21(67)20-89-61/h11-20,73-74H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C66H50F2N6O8S10/c1-23-37(56-59(75-9)61-54(80-56)29(67)22-77-61)42-44(71-91-69-42)39(63(23)85-13)50-28(6)49-53(79-50)26(4)47(74(49)8)34-21-36(84-12)66(90-34)32-18-17-30(88-32)55-41(68)58-62(81-55)60(76-10)57(82-58)38-24(2)64(86-14)40(45-43(38)70-92-72-45)51-27(5)48-52(78-51)25(3)46(73(48)7)33-20-35(83-11)65(89-33)31-16-15-19-87-31/h15-22H,1-14H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C90H64F6N4O6S14/c1-37-25-52(118-89(37)105-7)62-45-33-55(117-82(45)64(50-21-23-60(91)114-50)66-59(110-12)36-113-84(62)66)68-74(96)86(111-13)70(81-80(68)100-78(42-30-49(104-6)72(94)57(32-42)108-10)76(99-81)40-18-16-20-44(28-40)102-4)88-87(112-14)69-65(51-22-24-61(92)115-51)83-46(63(85(69)120-88)53-26-38(2)90(106-8)119-53)34-54(116-83)67-73(95)58(109-11)35-47-79(67)98-77(41-29-48(103-5)71(93)56(31-41)107-9)75(97-47)39-17-15-19-43(27-39)101-3/h15-36H,1-14H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C58H42F2N6O2S10/c1-23-11-12-30-49(63-65(5)61-30)40(23)35-21-28-43(34-19-26(4)58(68-8)77-34)55-47(45(52(28)74-35)32-14-16-39(60)73-32)56(70-10)53(78-55)29-17-24(2)41(50-48(29)62-66(6)64-50)36-20-27-42(33-18-25(3)57(67-7)76-33)54-46(37(69-9)22-71-54)44(51(27)75-36)31-13-15-38(59)72-31/h11-22H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1csc(c1)c1oc(c2c1C(=O)c1c(C2=O)c([se]c1C)OC)c1cc(c(o1)c1cc(c(o1)c1sc(cc1SC)c1sc(cc1SC)c1oc(c2c1C(=O)c1c(C2=O)c([se]c1C)OC)c1cc(c(o1)c1oc(c(c1)C)c1sccc1SC)F)C)F	


key: InChI
value:
  InChI=1S/C62H40F2O12S8Se2/c1-21-13-28(71-50(21)59-32(78-8)11-12-81-59)52-26(63)17-31(74-52)55-41-43(47(66)39-24(4)86-62(70-6)45(39)49(41)68)57(76-55)34-18-35(79-9)58(83-34)37-19-36(80-10)60(84-37)51-22(2)14-29(72-51)53-27(64)16-30(73-53)54-40-42(56(75-54)33-15-25(77-7)20-82-33)46(65)38-23(3)85-61(69-5)44(38)48(40)67/h11-20H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C68H42F4O14S6Se2/c1-19-13-26(62-35-37(64(91-62)29-15-25(87-9)18-93-29)49(75)39-33(47(35)73)23(5)80-67(39)89-11)82-52(19)61-46(72)42-44(70)55-32(57(78-8)59(42)86-61)22(4)53(84-55)66-28(88-10)16-30(94-66)65-38-36(48(74)34-24(6)81-68(90-12)40(34)50(38)76)63(92-65)27-14-20(2)51(83-27)60-45(71)41-43(69)54-31(21(3)17-79-54)56(77-7)58(41)85-60/h13-18H,1-12H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1cc(c(c2ccc(s2)c2cc(c(c3c2nc(c(n3)c2cc(ccc2)F)c2cc(c(c(c2)SC)OC)SC)c2cc(c(c3cccs3)s2)SC)F)s1)SC	


key: CAN_SMILES
value:
  CSc1cc(sc1c1ccc(s1)c1cc(F)c(c2c1nc(c1cc(SC)c(c(c1)SC)OC)c(n2)c1cccc(c1)F)c1cc(c(s1)c1cccs1)SC)c1c(F)ccc2c1nc(c1cccc(c1)F)c(n2)c1cc(SC)c(c(c1)SC)OC	


key: InChI
value:
  InChI=1S/C64H46F4N4O2S10/c1-73-61-46(75-3)24-33(25-47(61)76-4)56-54(31-12-9-14-35(65)22-31)71-59-40(69-56)18-17-38(67)52(59)44-29-51(80-8)64(84-44)43-20-19-41(82-43)37-28-39(68)53(45-30-50(79-7)63(83-45)42-16-11-21-81-42)60-58(37)70-57(55(72-60)32-13-10-15-36(66)23-32)34-26-48(77-5)62(74-2)49(27-34)78-6/h9-30H,1-8H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)c1cc(c(c(c1)OC)F)SC)c1cc(cc(c1)C)F)c1c(c2c(s1)c(cs2)F)F)SC)OC)c1c(c2c(c(c(s2)c2cc3c(c4c(c(c(o4)c4c(c5c(c(c(c6c(c(c(c7c6nc(c(n7)c6cc(cc(c6)C)F)c6cc(c(c(c6)OC)F)SC)c6c(c7c(c(c(s7)c7cc8c(c9c(c(co9)F)s8)s7)F)n6C)F)OC)SC)s5)F)s4)F)F)s3)s2)F)n1C)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C92H50F14N6O6S14/c1-27-13-29(17-33(93)15-27)59-61(31-19-37(113-5)49(97)39(21-31)119-9)109-65-47(82-56(104)90-77(128-82)36(96)26-123-90)84(121-11)71(115-7)45(63(65)107-59)67-52(100)87-70(112(67)4)54(102)79(130-87)42-24-44-81(126-42)75-88(127-44)55(103)73(118-75)89-58(106)92-91(132-89)57(105)83(131-92)48-66-64(108-60(30-14-28(2)16-34(94)18-30)62(110-66)32-20-38(114-6)50(98)40(22-32)120-10)46(72(116-8)85(48)122-12)68-51(99)86-69(111(68)3)53(101)78(129-86)41-23-43-80(125-41)74-76(124-43)35(95)25-117-74/h13-26H,1-12H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1c(c2c(SC)c(OC)c(c3c2nn(n3)C)c2c(F)c3c(n2C)c(c(o3)c2cc3c(s2)c2c([GeH2]3)cc[se]2)C)n(c2c1sc(c2)c1cc2c([se]1)c1c([GeH2]2)cc(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/C66H54F2Ge2N10O4S8Se2/c1-23-45-55(83-51(23)32-19-26-57(91-32)65-25(69-26)16-18-93-65)39(67)48(77(45)5)36-42-44(74-80(8)72-42)38(62(86-12)54(36)82-10)50-64(88-14)60-30(76(50)4)22-31(90-60)34-21-28-66(94-34)58-27(70-28)20-33(92-58)52-24(2)46-56(84-52)40(68)47(78(46)6)35-41-43(73-79(7)71-41)37(61(85-11)53(35)81-9)49-63(87-13)59-29(75(49)3)15-17-89-59/h15-22H,69-70H2,1-14H3


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(c(o3)c3c(c(c(c4c(c(c(c5c4nc(c(n5)C)F)c4c(c(c(n4C)c4c(c5c(c6c(c(co6)F)o5)s4)SC)OC)C)C)SC)s3)F)SC)F)o2)s1)SC)OC)C	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C64H50F6N6O6S10/c1-19-27(34-36(73-63(69)23(5)71-34)29(51(19)84-12)53-31(66)26(83-11)18-89-53)38-21(3)43(78-10)41(76(38)8)57-61(88-16)50-59(92-57)48-45(81-50)32(67)46(82-48)62-55(86-14)33(68)54(90-62)30-37-35(72-24(6)64(70)74-37)28(20(2)52(30)85-13)39-22(4)42(77-9)40(75(39)7)56-60(87-15)49-58(91-56)47-44(80-49)25(65)17-79-47/h17-18H,1-16H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C74H62F2N10O8S10/c1-25-24-91-57-46(25)83(5)50(65(57)97-15)36-26(2)59(95-13)38(44-42(36)79-71(87-9)73(81-44)89-11)63-41(76)53-70(104-63)68(100-18)49(86(53)8)34-22-31-56(93-34)62-32(78-31)23-35(102-62)54-28(4)47-58(94-54)66(98-16)51(84(47)6)37-27(3)60(96-14)39(45-43(37)80-72(88-10)74(82-45)90-12)64-40(75)52-69(103-64)67(99-17)48(85(52)7)33-21-30-55(92-33)61-29(77-30)19-20-101-61/h19-24,77-78H,1-18H3


key: InChI
value:
  InChI=1S/C16H11N3O3Se2/c1-20-10-5-8-13(19-22-18-8)12(14(10)21-2)11-6-9-16(24-11)15-7(17-9)3-4-23-15/h3-6,17H,1-2H3


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:
  InChI=1S/C16H11N3O2S3/c1-22-11-6-8-13(19-21-18-8)12(16(11)23-2)10-5-9-14(20-10)15-7(17-9)3-4-24-15/h3-6,17H,1-2H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C66H56F2N8O8S8/c1-21-19-73(9)44-59(21)89-65(63(44)87-17)42-26(6)48-39(74(42)10)24(4)46(80-48)33-38-36(70-92-72-38)31(23(3)61(33)86-16)52-56(78-14)58-54(83-52)34(68)53(84-58)41-28(8)62-45(76(41)12)64(88-18)66(90-62)43-27(7)49-40(75(43)11)25(5)47(81-49)32-37-35(69-91-71-37)30(22(2)60(32)85-15)51-55(77-13)57-50(82-51)29(67)20-79-57/h19-20H,1-18H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C70H40F6O16S4/c1-21-11-26-28(14-32(21)81-5)53(79)41-42(51(26)77)68(95-67(41)34-13-25(93-9)20-85-34)35-16-30(71)57(87-35)66-50(76)46-48(74)60-40(62(84-8)64(46)92-66)24(4)55(90-60)58-38(94-10)18-37(89-58)70-44-43(52(78)27-12-22(2)33(82-6)15-29(27)54(44)80)69(96-70)36-17-31(72)56(88-36)65-49(75)45-47(73)59-39(23(3)19-86-59)61(83-7)63(45)91-65/h11-20H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C58H52F2N8O6S2/c1-25-20-33(49-51(69-13)29(5)24-65(49)9)44-46(63-67(11)61-44)40(25)54-31(7)43(60)58(74-54)53-28(4)23-36(72-53)38-17-18-39(76-38)48-32(8)56(70-14)50(66(48)10)34-21-26(2)41(47-45(34)62-68(12)64-47)55-30(6)42(59)57(73-55)52-27(3)22-35(71-52)37-16-15-19-75-37/h15-24H,1-14H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C56H24F6O8S4Se6/c1-69-26-12-19-17(10-21(26)57)40(65)33-35(42(19)67)55(79-53(33)29-6-5-9-75-29)31-15-25(64)52(78-31)50-39(62)46-48(74(50)4)37(60)44(72-46)28-7-8-30(76-28)54-34-36(43(68)20-13-27(70-2)22(58)11-18(20)41(34)66)56(80-54)32-14-24(63)51(77-32)49-38(61)45-47(73(49)3)23(59)16-71-45/h5-16H,1-4H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C106H78F12N8O8S12/c1-35-23-41(27-45(107)25-35)69-71(43-29-48(127-11)60(110)50(31-43)135-19)121-75-58(93-66(116)102-92(142-93)47(109)34-139-102)95(137-21)88(133-17)56(73(75)119-69)78-62(112)100-83(125(78)9)65(115)104(145-100)91-40(6)55-85(130-14)81-53(87(132-16)98(55)141-91)38(4)77(124(81)8)101-68(118)106-105(146-101)67(117)94(143-106)59-76-74(120-70(42-24-36(2)26-46(108)28-42)72(122-76)44-30-49(128-12)61(111)51(32-44)136-20)57(89(134-18)96(59)138-22)79-63(113)99-82(126(79)10)64(114)103(144-99)90-39(5)54-84(129-13)80-52(37(3)33-123(80)7)86(131-15)97(54)140-90/h23-34H,1-22H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C102H78F8N8O12S14/c1-35-23-37(29-49(131-17)75(35)119-7)59-61(39-25-41(103)77(121-9)42(104)26-39)113-65-55(79(123-11)91(133-19)53(63(65)111-59)70-82(125-13)97-67(115(70)3)46(108)34-137-97)93-85(128-16)74-102(143-93)100(136-22)69(117(74)5)48-32-52-90(139-48)87-96(141-52)58(110)81(130-87)95-57(109)72-98(144-95)83(126-14)71(118(72)6)54-64-66(114-62(40-27-43(105)78(122-10)44(106)28-40)60(112-64)38-24-36(2)76(120-8)50(30-38)132-18)56(80(124-12)92(54)134-20)94-84(127-15)73-101(142-94)99(135-21)68(116(73)4)47-31-51-89(138-47)86-88(140-51)45(107)33-129-86/h23-34H,1-22H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(cs2)F)C)F)C)c1c(c2c(cc(s2)c2cc(c(c3c(cc(s3)c3c(c4c(c(c(c5c(c(c(c6c5nsn6)c5c(c6c(cc(s6)c6cc(c(c7c(ccs7)SC)o6)C)n5C)OC)C)F)o4)C)s3)F)SC)o2)C)n1C)OC	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C64H44F4N6O6S10/c1-21-15-30(77-50(21)63-32(81-11)13-14-83-63)33-17-28-60(85-33)56(75-9)49(73(28)7)38-24(4)42(67)40(47-45(38)70-90-72-47)53-26(6)59-55(80-53)43(68)62(88-59)36-19-35(82-12)64(87-36)51-22(2)16-31(78-51)34-18-29-61(86-34)57(76-10)48(74(29)8)37-23(3)41(66)39(46-44(37)69-89-71-46)52-25(5)58-54(79-52)27(65)20-84-58/h13-20H,1-12H3


key: SMILES
value:
  c1(c(ccc2c1nc(c(n2)c1cc(c(c(c1)SC)OC)SC)c1cc(ccc1)F)F)c1c(c2c(cc(o2)c2cc(c(c3c2nc(c(n3)c2cc(ccc2)F)c2cc(c(c(c2)SC)OC)SC)c2c(c3c(cco3)n2C)OC)F)n1C)OC	


key: CAN_SMILES
value:
  CSc1cc(cc(c1OC)SC)c1nc2ccc(c(c2nc1c1cccc(c1)F)c1c(OC)c2c(n1C)cc(o2)c1cc(F)c(c2c1nc(c1cc(SC)c(c(c1)SC)OC)c(n2)c1cccc(c1)F)c1c(OC)c2c(n1C)cco2)F	


key: InChI
value:
  InChI=1S/C62H48F4N6O6S4/c1-71-39-19-20-77-57(39)61(75-5)56(71)47-37(66)27-35(52-54(47)70-49(30-14-12-16-34(64)22-30)51(68-52)32-25-44(81-9)60(74-4)45(26-32)82-10)41-28-40-58(78-41)62(76-6)55(72(40)2)46-36(65)17-18-38-53(46)69-48(29-13-11-15-33(63)21-29)50(67-38)31-23-42(79-7)59(73-3)43(24-31)80-8/h11-28H,1-10H3


key: SMILES
value:
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key: CAN_SMILES
value:
  COc1ccc(cc1C)c1nc2c(c3[se]c4c(c3)[SiH2]c3c4scc3)c(F)c(c(c2nc1c1ccc(c(c1)C)F)c1sc2c(c1)[SiH2]c1c2[se]c(c1)c1c(F)c(OC)cc2c1nc(c1ccc(c(c1)C)OC)c(n2)c1ccc(c(c1)C)F)OC	


key: InChI
value:
  InChI=1S/C64H46F4N4O4S2Se2Si2/c1-27-19-31(9-13-35(27)65)53-54(33-11-15-38(73-5)29(3)21-33)70-57-37(69-53)23-40(75-7)51(67)49(57)42-25-47-64(80-42)62-45(82-47)24-41(78-62)48-58-59(50(52(68)60(48)76-8)43-26-46-63(79-43)61-44(81-46)17-18-77-61)72-56(34-12-16-39(74-6)30(4)22-34)55(71-58)32-10-14-36(66)28(2)20-32/h9-26H,81-82H2,1-8H3


key: SMILES
value:
  c1(cc(cc2c1nc(c(n2)SC)SC)F)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(c(s3)c1c(cc(c2c1nc(c(n2)SC)SC)c1c(c2c(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC)F)SC)c1cc(c(c(c1)F)SC)OC)OC	


key: CAN_SMILES
value:
  CSc1nc2c(c(F)cc(c2nc1SC)c1c(OC)c2c(n1C)c(c1ccc(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)OC)SC)scc1SC)c1sc2c(c1SC)c(c1ccc(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)OC)SC)c(OC)c(n1C)c1cc(F)cc2c1nc(SC)c(n2)SC	


key: InChI
value:
  InChI=1S/C78H68F4N6O4S10/c1-33-19-21-37(23-35(33)3)51-56-50(93-11)32-101-71(56)53(39-25-45(81)69(94-12)48(27-39)89-7)57-65(51)88(6)64(67(57)91-9)43-31-44(80)55(62-61(43)85-77(99-17)78(86-62)100-18)74-73(96-14)59-52(38-22-20-34(2)36(4)24-38)66-58(54(72(59)102-74)40-26-46(82)70(95-13)49(28-40)90-8)68(92-10)63(87(66)5)42-29-41(79)30-47-60(42)84-76(98-16)75(83-47)97-15/h19-32H,1-18H3


key: SMILES
value:
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key: CAN_SMILES
value:
  COc1c(SC)c(c2cc(c(s2)c2cc3c(n2C)c2c(o3)c(co2)C)C)c2c(c1c1ccc(n1C)c1oc3c(c1C)oc1c3n(C)c(c1)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/C90H74F4N8O10S4/c1-39-28-45(21-23-49(39)91)68-70(47-32-51(93)81(105-13)60(34-47)103-11)97-74-66(89(113-17)83(107-15)64(72(74)95-68)53-20-19-27-99(53)7)62-31-42(4)88(116-62)57-37-59-77(102(57)10)86-80(111-59)44(6)79(112-86)55-26-25-54(100(55)8)65-73-75(98-71(48-33-52(94)82(106-14)61(35-48)104-12)69(96-73)46-22-24-50(92)40(2)29-46)67(90(114-18)84(65)108-16)63-30-41(3)87(115-63)56-36-58-76(101(56)9)85-78(110-58)43(5)38-109-85/h19-38H,1-18H3


key: SMILES
value:
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key: CAN_SMILES
value:
  CSc1cnc2c(n1)c(c1oc3c(c1OC)sc(c3F)c1oc3c(c1F)sc1c3sc(c1)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)sc1c2occ1F)C)F)SC	


key: InChI
value:
  InChI=1S/C66H38F6N6O6S14/c1-77-21(23-13-27-55(92-23)52-54(96-27)19(67)17-81-52)11-25-43(77)63(89-9)60(94-25)32-36(70)58(88-8)34(42-40(32)74-16-30(76-42)86-6)47-51(80-4)66-49(83-47)38(72)61(98-66)48-37(71)62-53(84-48)56-28(97-62)14-24(93-56)22-12-26-44(78(22)2)64(90-10)59(95-26)31-35(69)57(87-7)33(41-39(31)73-15-29(75-41)85-5)46-50(79-3)65-45(82-46)20(68)18-91-65/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)c2c(cc(c3c(cc(n3C)c3c(c4c(c(c(c5c(c(c(c6c5nc(c(n6)c5cc(cc(c5)C)F)c5cc(c(c(c5)OC)F)SC)c5c(c6c(c(c(s6)c6c(cc(c7c(ccn7C)SC)o6)OC)F)n5C)F)OC)SC)s4)F)s3)F)SC)o2)OC)F)n1C)F	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C98H70F12N8O8S12/c1-35-21-37(25-41(99)23-35)68-70(39-27-45(119-7)59(102)52(29-39)128-14)113-74-57(88-66(109)96-86(134-88)43(101)34-133-96)90(131-17)84(123-11)55(72(74)111-68)78-62(105)93-81(118(78)6)64(107)95(138-93)83-50(122-10)33-48(126-83)77-54(130-16)31-44(116(77)4)87-65(108)97-98(135-87)67(110)89(136-97)58-75-73(112-69(38-22-36(2)24-42(100)26-38)71(114-75)40-28-46(120-8)60(103)53(30-40)129-15)56(85(124-12)91(58)132-18)79-61(104)92-80(117(79)5)63(106)94(137-92)82-49(121-9)32-47(125-82)76-51(127-13)19-20-115(76)3/h19-34H,1-18H3


key: SMILES
value:
  c1(c(c(c(c2c1ncc(n2)SC)c1c(c2c(o1)c(cs2)F)OC)SC)F)c1c(c2c(s1)cc(n2C)c1ccc(c2cc(c(n2C)c2c(c3c(c(c(c4c(c(c(c5c4nc(cn5)SC)c4c(c5c(s4)cc(n5C)c4ccc(c5cc(cn5C)SC)s4)SC)F)SC)o3)OC)s2)F)SC)s1)SC	


key: CAN_SMILES
value:
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key: InChI
value:
  InChI=1S/C70H54F4N8O4S14/c1-79-25-27(87-7)19-29(79)33-15-16-35(96-33)31-21-38-54(81(31)3)67(93-13)65(98-38)43-47(73)63(92-12)45(52-50(43)76-24-41(78-52)90-10)58-61(84-6)70-59(86-58)48(74)66(100-70)53-37(88-8)20-30(80(53)2)34-17-18-36(97-34)32-22-39-55(82(32)4)68(94-14)64(99-39)42-46(72)62(91-11)44(51-49(42)75-23-40(77-51)89-9)57-60(83-5)69-56(85-57)28(71)26-95-69/h15-26H,1-14H3


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(c(o3)c1c(cc(c2c3c(c(o2)c2ccc(s2)c2c(c4c(c5c(c(c4n2C)c2cc(c(SC)n2C)SC)c(co5)C)c2cc(c(s2)C)C)F)C(=O)c2c(C3=O)c(sc2F)SC)s1)C)C)c1cc(c(s1)C)C)F	


key: CAN_SMILES
value:
  CSc1c(SC)cc(n1C)c1c2c(C)c(oc2c(c2c1n(C)c(c2F)c1ccc(s1)c1oc(c2c1C(=O)c1c(C2=O)c(sc1F)SC)c1scc(c1)C)c1cc(c(s1)C)C)c1sc(cc1C)c1oc(c2c1C(=O)c1c(C2=O)c(sc1SC)F)c1ccc(s1)c1c(F)c2c(n1C)c(c1cc(c(n1C)SC)SC)c1c(c2c2cc(c(s2)C)C)occ1C	


key: InChI
value:
  InChI=1S/C90H66F4N4O8S14/c1-31-23-47(113-30-31)80-61-59(73(99)63-65(75(61)101)89(111-17)119-85(63)93)78(105-80)43-21-19-42(116-43)70-68(92)58-56(46-25-33(3)38(8)115-46)83-52(54(72(58)98(70)12)40-28-50(108-14)88(110-16)96(40)10)36(6)77(104-83)84-34(4)26-48(118-84)81-62-60(74(100)64-66(76(62)102)90(112-18)120-86(64)94)79(106-81)44-22-20-41(117-44)69-67(91)57-55(45-24-32(2)37(7)114-45)82-51(35(5)29-103-82)53(71(57)97(69)11)39-27-49(107-13)87(109-15)95(39)9/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)c2c(c3c(c4c(c(c3n2C)c2cc(c(cc2)C)C)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(c(c6n5C)c5cc(c(cc5)C)C)c(cs7)SC)c5cc(c(c(c5)F)SC)OC)OC)F)n4C)F)OC)SC)s3)F)s2)F)SC)c2cc(c(c(c2)F)SC)OC)OC)F)n1C)F	


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


key: InChI
value:
  InChI=1S/C134H100F14N8O8S16/c1-49-31-59(37-63(135)33-49)96-98(61-43-68(157-11)87(140)72(45-61)165-19)151-102-85(121-93(146)130-118(175-121)67(139)47-173-130)123(170-24)114(163-17)83(100(102)149-96)106-89(142)127-109(155(106)9)92(145)129(179-127)111-113(162-16)81-78(58-40-66(138)117(169-23)71(42-58)160-14)120-82(76(105(81)154(111)8)56-30-28-52(4)54(6)36-56)125(172-26)134(176-120)133-95(148)132-131(180-133)94(147)122(177-132)86-103-101(150-97(60-32-50(2)34-64(136)38-60)99(152-103)62-44-69(158-12)88(141)73(46-62)166-20)84(115(164-18)124(86)171-25)107-90(143)126-108(156(107)10)91(144)128(178-126)110-112(161-15)80-77(57-39-65(137)116(168-22)70(41-57)159-13)119-79(74(167-21)48-174-119)75(104(80)153(110)7)55-29-27-51(3)53(5)35-55/h27-48H,1-26H3


key: SMILES
value:
  c1(c(cc(c2nn(nc12)C)c1c(c(cn1C)C)OC)C)c1c(c(c(o1)c1sc2c(c(c3c(c2OC)c(c(n3C)c2c(c(c(c3cc(c(c4c3nn(n4)C)c3c(c(c(o3)c3sc4c(c(c5c(c4OC)c(cn5C)C)OC)c3C)F)C)C)n2C)OC)C)C)OC)c1C)F)C	


key: CAN_SMILES
value:
  COc1c2c(C)c(sc2c(c2c1n(C)c(c2C)c1n(C)c(c(c1C)OC)c1cc(C)c(c2c1nn(n2)C)c1oc(c(c1C)F)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cn1C)OC)c1oc(c(c1F)C)c1c(C)cc(c2c1nn(n2)C)c1n(C)cc(c1OC)C	


key: InChI
value:
  InChI=1S/C70H70F2N10O8S2/c1-27-23-37(53-57(83-17)30(4)26-77(53)11)47-49(75-81(15)73-47)39(27)58-34(8)46(72)66(89-58)68-33(7)44-62(86-20)56-42(64(88-22)70(44)92-68)31(5)51(80(56)14)52-36(10)60(84-18)54(79(52)13)38-24-28(2)40(50-48(38)74-82(16)76-50)59-35(9)45(71)65(90-59)67-32(6)43-61(85-19)55-41(29(3)25-78(55)12)63(87-21)69(43)91-67/h23-26H,1-22H3


key: InChI
value:
  InChI=1S/C18H18N4S2/c1-11-5-6-13-18(20-22(3)19-13)17(11)16-8-7-15(24-16)14-9-12(23-4)10-21(14)2/h5-10H,1-4H3


key: InChI
value:
  InChI=1S/C19H19N3O3S2/c1-10-8-14(17-13(26-5)6-7-22(17)2)27-19(10)15-16-11(20-25-21-16)9-12(23-3)18(15)24-4/h6-9H,1-5H3


key: InChI
value:
  InChI=1S/C17H13FN4O2S/c1-21-11(9-4-8(18)5-10-14(9)20-22(2)19-10)6-12-15(21)17-16(24-12)13(25-3)7-23-17/h4-7H,1-3H3


key: InChI
value:
  InChI=1S/C31H27FN4S5/c1-14-8-9-18-28(34-36(5)33-18)23(14)29-15(2)24-26(20-12-17(32)16(3)40-20)31-27(21(37-6)13-39-31)25(30(24)35(29)4)19-10-11-22(38-7)41-19/h8-13H,1-7H3


key: InChI
value:
  InChI=1S/C16H15FN4S2/c1-8-7-20(2)13-14(8)23-15(16(13)22-4)10-5-9(17)6-11-12(10)19-21(3)18-11/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C19H20N4S2/c1-11-6-7-13-17(21-23(4)20-13)16(11)19-12(2)10-15(25-19)18-14(24-5)8-9-22(18)3/h6-10H,1-5H3


key: InChI
value:
  InChI=1S/C33H25F2N3OS3/c1-16-6-18(9-22(7-16)39-4)29-25-14-27(24-12-21(35)13-26-31(24)37-38(3)36-26)42-32(25)30(28-17(2)15-41-33(28)29)19-8-20(34)11-23(10-19)40-5/h6-15H,1-5H3


key: InChI
value:
  InChI=1S/C17H13N3O3S2/c1-20-9(13-10(21-2)5-4-8-14(13)19-25-18-8)6-11-15(20)17-16(23-11)12(24-3)7-22-17/h4-7H,1-3H3


key: InChI
value:
  InChI=1S/C18H16N2O5S2/c1-21-11-7-9-15(20-25-19-9)14(16(11)23-3)10-8-12(22-2)17(24-10)18-13(26-4)5-6-27-18/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C17H17N3O6/c1-20-13-10(22-3)7-25-17(13)16(24-5)14(20)11-12-8(18-26-19-12)6-9(21-2)15(11)23-4/h6-7H,1-5H3


key: InChI
value:
  InChI=1S/C21H17FN2O5/c1-8-7-27-18-10(3)14-16(22)21(28-19(14)9(2)13(8)18)15-17-11(23-29-24-17)6-12(25-4)20(15)26-5/h6-7H,1-5H3


key: InChI
value:
  InChI=1S/C27H15F2NO5S2Se/c1-10-9-36-26-18(10)30(2)19(24(26)33-3)25-12(28)7-13(37-25)22-17-16(23(35-22)14-5-4-6-38-14)20(31)11-8-34-27(29)15(11)21(17)32/h4-9H,1-3H3


key: InChI
value:
  InChI=1S/C16H9F2N3O2S2/c1-21-19-9-4-6(17)3-7(10(9)20-21)14-16(24-2)13-15(25-14)12-11(23-13)8(18)5-22-12/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C16H15N3O4S/c1-19-13-10(21-3)7-23-16(13)15(22-4)14(19)11-9(20-2)6-5-8-12(11)18-24-17-8/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C19H12F2N2O4S/c1-7-6-26-16-10(7)18(25-3)19-12(13(16)20)14(21)17(27-19)11-9(24-2)5-4-8-15(11)23-28-22-8/h4-6H,1-3H3


key: InChI
value:
  InChI=1S/C35H28F2N2O4S2/c1-15-10-19(11-16(2)17(15)3)26-28-25(41-6)14-42-32(28)27(20-12-21(36)18(4)22(37)13-20)30-33(26)43-34(35(30)44-7)29-24(40-5)9-8-23-31(29)39-45-38-23/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C18H17N3O4/c1-4-10-8-13(12-6-5-7-21(12)2)24-18(10)15-16-11(19-25-20-16)9-14(23-3)17(15)22/h5-9,22H,4H2,1-3H3


key: InChI
value:
  InChI=1S/C29H22FN3OS5/c1-13-6-7-16-26(32-33(3)31-16)22(13)19-11-15-23(18-10-14(2)29(34-4)39-18)28-25(20(35-5)12-36-28)24(27(15)38-19)17-8-9-21(30)37-17/h6-12H,1-5H3


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


key: InChI
value:
  InChI=1S/C17H14N2O3S3/c1-20-10-6-7-21-16(10)12-5-4-11(25-12)14-15-9(18-22-19-15)8-13(23-2)17(14)24-3/h4-8H,1-3H3


key: InChI
value:
  InChI=1S/C17H17N3OS4/c1-8-7-20(2)13-14(8)25-16(17(13)24-5)11-12-9(18-21-19-12)6-10(22-3)15(11)23-4/h6-7H,1-5H3


key: InChI
value:
  InChI=1S/C31H21F2N3O4S4/c1-12-20(23-24(35-44-34-23)21(22(12)33)26-13(2)30-27(40-26)14(32)11-41-30)25-29(38-5)31-15(36(25)3)10-19(43-31)17-6-7-18(42-17)28-16(37-4)8-9-39-28/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C31H26FN3OS7/c1-13-22-24(18-10-15(32)14(2)42-18)31-25(20(38-5)12-41-31)23(17-8-9-21(39-6)43-17)29(22)35(3)28(13)26-27-16(33-36-34-27)11-19(37-4)30(26)40-7/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C30H22F2N4O4S3/c1-11-17(20-21(34-43-33-20)18(19(11)32)24-12(2)29-25(40-24)13(31)10-41-29)23-28(38-6)30-15(36(23)4)9-16(42-30)22-27(37-5)26-14(35(22)3)7-8-39-26/h7-10H,1-6H3


key: InChI
value:
  InChI=1S/C34H29FN4O6S2/c1-14-22(31-32(41-7)33-30(45-31)18(35)13-42-33)24-25(37-47-36-24)23(34(14)46-8)28-16(3)27-29(44-28)15(2)26(39(27)5)21-10-9-20(43-21)19-11-17(40-6)12-38(19)4/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C33H31FN2O6S3/c1-14-13-40-30(31(14)44-9)22-25-24(36-33(39-7)17(4)35-25)21(15(2)26(22)38-6)27-16(3)23(34)28(42-27)19-12-18(37-5)29(41-19)32-20(43-8)10-11-45-32/h10-13H,1-9H3


key: InChI
value:
  InChI=1S/C34H28F2N4O4S4/c1-13-20(30-31(41-6)32-29(44-30)17(36)12-42-32)22-23(38-48-37-22)21(33(13)46-8)27-15(3)25-28(43-27)14(2)24(40(25)5)18-11-19(45-7)34(47-18)26-16(35)9-10-39(26)4/h9-12H,1-8H3


key: InChI
value:
  InChI=1S/C31H24F2N2O6S2/c1-11-9-38-27(29(11)42-7)19-22-21(35-31(37-6)14(4)34-22)18(12(2)23(19)36-5)24-13(3)20(33)26(41-24)17-8-16-30(43-17)28-25(40-16)15(32)10-39-28/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C35H33FN6O4S3/c1-16-27-32(46-30(16)21-11-10-20(45-21)19-14-17(43-6)15-39(19)2)24(36)28(41(27)4)22-25-26(38-42(5)37-25)23(34(47-8)31(22)44-7)29-35(48-9)33-18(40(29)3)12-13-49-33/h10-15H,1-9H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)C)OC)c1c(c(co1)C)SC)OC)C)c1c(c(c(o1)c1c(c2c(c3c(c(c2n1C)c1cc(c(SC)n1C)SC)c(co3)C)c1cc(c(s1)C)C)F)F)C	


key: CAN_SMILES
value:
  COc1nc2c(c3oc(c(c3C)F)c3c(F)c4c(n3C)c(c3cc(c(n3C)SC)SC)c3c(c4c4cc(c(s4)C)C)occ3C)c(C)c(c(c2nc1C)c1occ(c1SC)C)OC	


key: InChI
value:
  InChI=1S/C48H46F2N4O5S4/c1-19-15-27(63-25(19)7)32-33-36(50)40(54(9)39(33)31(29-20(2)17-57-43(29)32)26-16-28(60-12)48(62-14)53(26)8)45-35(49)23(5)42(59-45)30-22(4)41(55-10)34(44-46(61-13)21(3)18-58-44)38-37(30)52-47(56-11)24(6)51-38/h15-18H,1-14H3


key: InChI
value:
  InChI=1S/C33H28FGeN5O2S4Se/c1-13-23-28(42-26(13)17-12-15-29(46-17)33-14(35-15)9-11-47-33)20(34)24(39(23)3)18-21-22(37-40(4)36-21)19(31(43-6)27(18)41-5)25-32(44-7)30-16(38(25)2)8-10-45-30/h8-12H,35H2,1-7H3


key: InChI
value:
  InChI=1S/C33H31F2N3O3S5/c1-14-21(24-25(37-33(35)16(3)36-24)22(30(14)44-9)32-23(34)20(43-8)13-46-32)26-15(2)28(40-6)27(38(26)4)17-12-18(39-5)29(41-17)31-19(42-7)10-11-45-31/h10-13H,1-9H3


key: InChI
value:
  InChI=1S/C32H26F3N3O3S5/c1-11-16(19-20(37-32(35)13(3)36-19)17(27(11)43-7)28-18(34)15(42-6)10-45-28)21-12(2)23(39-5)22(38(21)4)29-31(44-8)26-30(46-29)25-24(41-26)14(33)9-40-25/h9-10H,1-8H3


key: InChI
value:
  InChI=1S/C31H21F2N3O3S4/c1-12-9-18(17-7-6-8-38-17)41-29(12)19-10-16-31(42-19)28(37-5)25(36(16)4)20-13(2)22(33)21(24-23(20)34-43-35-24)26-14(3)30-27(39-26)15(32)11-40-30/h6-11H,1-5H3


key: InChI
value:
  InChI=1S/C31H30F2N4O3S3/c1-13-18(21-22(35-31(33)15(3)34-21)19(29(13)42-9)30-20(32)17(41-8)12-43-30)23-14(2)26(38-6)24(37(23)5)25-28(39-7)27-16(36(25)4)10-11-40-27/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C32H23F2N3O3S5/c1-12-9-17(39-26(12)32-18(41-6)7-8-42-32)19-10-16-31(44-19)29(38-5)25(37(16)4)20-13(2)22(34)21(24-23(20)35-45-36-24)27-14(3)30-28(40-27)15(33)11-43-30/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C32H32F2N4O4S3/c1-13-18(21-22(36-32(34)15(3)35-21)19(30(13)44-10)31-20(33)17(43-9)12-45-31)23-14(2)27(40-7)25(37(23)4)26-28(41-8)29-24(38(26)5)16(39-6)11-42-29/h11-12H,1-10H3


key: InChI
value:
  InChI=1S/C33H29FN4O4S4/c1-12-10-37(5)23-30(12)45-33(32(23)44-9)22-15(4)25-21(38(22)6)14(3)24(41-25)18-20-19(35-46-36-20)17(13(2)31(18)43-8)27-28(39-7)29-26(42-27)16(34)11-40-29/h10-11H,1-9H3


key: InChI
value:
  InChI=1S/C31H26F2N4OS3Se2/c1-12-19(22-23(36-31(33)14(3)34-22)20(27(12)40-7)28-21(32)17(39-6)11-41-28)24-13(2)26(38-5)25(37(24)4)18-10-16-30(43-18)29-15(35-16)8-9-42-29/h8-11,35H,1-7H3


key: InChI
value:
  InChI=1S/C32H23FN4O4S2Se2/c1-11-18(27-28(38-5)29-26(41-27)14(33)10-39-29)20-21(36-43-35-20)19(30(11)42-6)24-13(3)23-25(40-24)12(2)22(37(23)4)17-9-16-32(45-17)31-15(34-16)7-8-44-31/h7-10,34H,1-6H3


key: InChI
value:
  InChI=1S/C30H23F4N3O2S5/c1-12-30(34)36-22-18(28(41-5)29(42-6)19(23(22)35-12)27-26(38-3)14(31)11-43-27)25-21(33)20(32)24(37(25)2)17-8-7-16(44-17)15-9-13(40-4)10-39-15/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C35H32F2N6O3S4/c1-15-10-11-49-32(15)20-13-18(44-6)33(50-20)27-22(37)31-29(42(27)4)35(48-9)30(46-31)16-12-17(36)21(24-23(16)38-43(5)39-24)26-34(47-8)28-25(41(26)3)19(45-7)14-40(28)2/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C30H20F5N3O3S5/c1-9-30(35)37-16-12(25(42-4)26(43-5)13(17(16)36-9)24-21(39-3)11(32)8-45-24)18-14(33)15(34)19(38(18)2)27-29(44-6)23-28(46-27)22-20(41-23)10(31)7-40-22/h7-8H,1-6H3


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(c3c(c(c2n1C)c1cc(c(cc1)C)C)c(cs3)SC)c1cc(c(c(c1)F)SC)OC)OC)F)SC	


key: CAN_SMILES
value:
  CSc1c(F)c(sc1c1c(OC)c(F)c(c2c1nc(C)c(n2)OC)c1occ(c1SC)F)c1c(OC)c2c(n1C)c(c1ccc(c(c1)C)C)c1c(c2c2cc(F)c(c(c2)OC)SC)scc1SC	


key: InChI
value:
  InChI=1S/C50H43F4N3O5S6/c1-20-13-14-23(15-21(20)2)29-31-28(63-9)19-67-46(31)30(24-16-25(51)44(64-10)27(17-24)58-5)32-39(29)57(4)40(42(32)60-7)48-36(54)49(66-12)47(68-48)34-38-37(56-50(61-8)22(3)55-38)33(35(53)41(34)59-6)43-45(65-11)26(52)18-62-43/h13-19H,1-12H3


key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: InChI
value:
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key: SMILES
value:
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key: CAN_SMILES
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: InChI
value:
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key: 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: 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:
  InChI=1S/C49H37F3N4O3S5/c1-20-12-21(2)14-25(13-20)38-37(24-11-10-22(3)28(15-24)57-7)53-39-33(43-36(52)49-42(56(43)6)32(60-8)19-62-49)23(4)46(61-9)34(40(39)54-38)30-16-27-47(63-30)35(51)41(55(27)5)31-17-29-48(64-31)45-44(59-29)26(50)18-58-45/h10-19H,1-9H3


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/C48H42F2N6O2S8/c1-19-28-30(25-17-22(49)21(3)65-25)46-31(26(59-9)18-64-46)29(24-13-14-27(60-10)66-24)39(28)54(5)37(19)42-20(2)38-44(58-42)34(50)40(55(38)6)32-35-36(52-56(7)51-35)33(47(61-11)43(32)57-8)41-48(62-12)45-23(53(41)4)15-16-63-45/h13-18H,1-12H3


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(c3n2C)c2cc(c(F)n2C)SC)ccs4)c2cc(c(o2)F)OC)C)n1C)F	


key: CAN_SMILES
value:
  COc1c(c2nn(nc2c(c1SC)c1n(C)c2c(c1SC)scc2)C)c1n(C)c2c(c1F)oc(c2C)c1cc2c(n1C)c(c1c(c2c2oc(c(c2)OC)F)scc1)c1cc(c(n1C)F)SC	


key: InChI
value:
  InChI=1S/C47H40F3N7O4S5/c1-19-35-41(32(48)37(56(35)5)30-33-34(52-57(6)51-33)31(44(63-10)40(30)59-8)38-45(64-11)43-22(53(38)2)13-15-66-43)61-39(19)24-16-21-29(25-18-26(58-7)47(50)60-25)42-20(12-14-65-42)28(36(21)54(24)3)23-17-27(62-9)46(49)55(23)4/h12-18H,1-11H3


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


key: CAN_SMILES
value:
  CSc1c(F)cc(cc1OC)c1c2scc(c2c(c2c1c(OC)c(n2C)c1cc2c(s1)c(c(n2C)c1c(C)c(F)c(c2c1nsn2)c1oc2c(c1C)scc2F)OC)c1ccc(c(c1)C)C)SC	


key: InChI
value:
  InChI=1S/C51H41F3N4O4S6/c1-20-12-13-24(14-21(20)2)33-35-31(63-10)19-66-51(35)34(25-15-26(52)49(64-11)29(16-25)59-7)36-42(33)58(6)41(46(36)60-8)30-17-28-50(67-30)47(61-9)43(57(28)5)32-22(3)38(54)37(40-39(32)55-68-56-40)44-23(4)48-45(62-44)27(53)18-65-48/h12-19H,1-11H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(cs2)F)C)F)C)c1c(c2c(cc(s2)c2sc3c(c(c4c(c3c3cc(c(cc3)OC)C)ccn4C)c3cc(c(c(c3)F)OC)F)c2SC)n1C)OC	


key: CAN_SMILES
value:
  COc1ccc(cc1C)c1c2sc(c(c2c(c2c1ccn2C)c1cc(F)c(c(c1)F)OC)SC)c1sc2c(c1)n(c(c2OC)c1c(C)c(F)c(c2c1nsn2)c1oc2c(c1C)scc2F)C	


key: InChI
value:
  InChI=1S/C49H36F4N4O4S5/c1-19-14-22(10-11-29(19)58-6)32-24-12-13-56(4)39(24)33(23-15-25(50)42(59-7)26(51)16-23)34-48(32)65-47(49(34)62-9)30-17-28-46(64-30)44(60-8)40(57(28)5)31-20(2)36(53)35(38-37(31)54-66-55-38)41-21(3)45-43(61-41)27(52)18-63-45/h10-18H,1-9H3


key: SMILES
value:
  c1(c(c(c(c2nsnc12)c1c(c2c(o1)c(co2)F)OC)C)SC)c1c(c2c(o1)c(c(n2C)c1oc2c(c(c3c(c2c2cc(c(o2)C)SC)ccs3)c2cc(c(F)n2C)OC)c1OC)C)C	


key: CAN_SMILES
value:
  CSc1cc(oc1C)c1c2oc(c(c2c(c2c1ccs2)c1cc(c(n1C)F)OC)OC)c1c(C)c2c(n1C)c(c(o2)c1c(SC)c(C)c(c2c1nsn2)c1oc2c(c1OC)occ2F)C	


key: InChI
value:
  InChI=1S/C47H38F2N4O8S4/c1-17-27(41-43(56-9)44-38(60-41)22(48)16-57-44)32-33(51-65-50-32)31(45(17)63-11)36-18(2)34-37(59-36)19(3)35(53(34)6)42-40(55-8)30-29(23-14-25(54-7)47(49)52(23)5)46-21(12-13-64-46)28(39(30)61-42)24-15-26(62-10)20(4)58-24/h12-16H,1-11H3


key: SMILES
value:
  c1(cc(c(c2nn(nc12)C)c1c(c2c(c(cn2C)OC)n1C)SC)F)c1c(c2c(o1)c(c(n2C)c1cc2c(c3c(c(c2n1C)c1cc(c(F)n1C)SC)ccs3)c1cc(c(o1)F)OC)F)SC	


key: CAN_SMILES
value:
  COc1cc(oc1F)c1c2sccc2c(c2c1cc(n2C)c1c(F)c2c(n1C)c(c(o2)c1cc(F)c(c2c1nn(n2)C)c1n(C)c2c(c1SC)n(cc2OC)C)SC)c1cc(c(n1C)F)SC	


key: InChI
value:
  InChI=1S/C47H40F4N8O4S4/c1-54-18-27(61-8)37-39(54)44(65-10)38(58(37)5)31-22(48)14-21(33-34(31)53-59(6)52-33)41-45(66-11)40-42(63-41)32(49)36(57(40)4)24-15-20-30(25-17-26(60-7)47(51)62-25)43-19(12-13-67-43)29(35(20)55(24)2)23-16-28(64-9)46(50)56(23)3/h12-18H,1-11H3


key: InChI
value:
  InChI=1S/C38H35N5O5S2/c1-16-14-46-37-32-22(48-34(16)37)11-20(41(32)5)30-19(4)38-21(42(30)6)12-24(50-38)27-28-29(40-25(49-10)13-39-28)26(17(2)35(27)45-9)31-18(3)36-33(43(31)7)23(44-8)15-47-36/h11-15H,1-10H3


key: SMILES
value:
  c1(c(cc(c2c1nc(c(n2)c1cc(c(c(c1)SC)SC)C)c1cc(c(c(c1)F)OC)C)c1cc2c(s1)ccs2)OC)c1c(c2c(s1)c(c(o2)c1ccc(c2cc(cn2C)OC)o1)SC)C	


key: CAN_SMILES
value:
  COc1cc(n(c1)C)c1ccc(o1)c1oc2c(c1SC)sc(c2C)c1c(OC)cc(c2c1nc(c1cc(C)c(c(c1)F)OC)c(n2)c1cc(C)c(c(c1)SC)SC)c1cc2c(s1)ccs2	


key: InChI
value:
  InChI=1S/C50H42FN3O5S6/c1-23-15-26(17-30(51)44(23)57-7)40-41(27-16-24(2)47(61-9)38(18-27)60-8)52-42-29(36-21-37-35(64-36)13-14-63-37)20-34(56-6)39(43(42)53-40)48-25(3)45-50(65-48)49(62-10)46(59-45)33-12-11-32(58-33)31-19-28(55-5)22-54(31)4/h11-22H,1-10H3


key: InChI
value:
  InChI=1S/C35H35FN6OS6/c1-14-12-39(4)26-29(14)48-35(33(26)46-10)27-16(3)30-28(43-27)34(47-11)31(49-30)19-20(36)15(2)18(21-22(19)38-42(7)37-21)24-32(45-9)25-23(41(24)6)17(44-8)13-40(25)5/h12-13H,1-11H3


key: SMILES
value:
  c1(c(c(c(c2nn(nc12)C)c1c(c2c(c(cn2C)SC)n1C)SC)C)F)c1c(c2c(s1)c(c(o2)c1oc2c(c(c3c(c2C)c(co3)C)C)c1F)C)SC	


key: InChI
value:
  InChI=1S/C39H35F2N5O3S4/c1-14-13-47-31-17(4)21-25(41)34(48-32(21)16(3)20(14)31)33-18(5)36-35(49-33)39(52-11)37(53-36)23-24(40)15(2)22(26-27(23)43-46(8)42-26)29-38(51-10)30-28(45(29)7)19(50-9)12-44(30)6/h12-13H,1-11H3


key: SMILES
value:
  c1(c(c(c(c2c1nc(c(n2)OC)OC)c1c(c2c(c(co2)C)n1C)SC)C)SC)c1c(c2c(s1)c(c(n2C)c1[se]c2c3sccc3[SiH2]c2c1)SC)F	


key: CAN_SMILES
value:
  COc1nc2c(nc1OC)c(c(c(c2c1sc2c(c1F)n(c(c2SC)c1[se]c2c(c1)[SiH2]c1c2scc1)C)SC)C)c1c(SC)c2c(n1C)c(co2)C	


key: InChI
value:
  InChI=1S/C37H33FN4O3S5SeSi/c1-14-13-45-28-24(14)41(3)26(32(28)47-8)19-15(2)29(46-7)20(23-22(19)39-36(43-5)37(40-23)44-6)31-21(38)27-34(50-31)33(48-9)25(42(27)4)16-12-18-35(51-16)30-17(52-18)10-11-49-30/h10-13H,52H2,1-9H3


