# text_key_values

key: InChI
value:
  InChI=1S/C50H36N6O6S12/c1-63-30-20-57-37(44(30)64-2)21-18-51-35(33-31(21)53-61-55-33)42-49(69-7)48(68-6)41(60-42)29-16-13-26(74-29)25-12-15-27(73-25)39-46(66-4)45(65-3)38(58-39)22-19-52-36(34-32(22)54-62-56-34)43-50(70-8)47(67-5)40(59-43)28-14-11-24(72-28)23-10-9-17-71-23/h9-20H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(cc(o3)c3c(c(c(c4c5c(c(c6c(c(c(s6)c6cc(c(c7c(cco7)C)o6)C)SC)SC)nc4)nsn5)s3)SC)SC)C)o1)C)SC)SC)c1c(c(cs1)SC)SC)[n]s[n]2	


key: CAN_SMILES
value:
  CSc1c(sc(c1SC)c1cnc(c2c1nsn2)c1sc(c(c1SC)SC)c1cc(c(o1)c1occc1C)C)c1cc(c(o1)c1oc(cc1C)c1sc(c(c1SC)SC)c1ncc(c2c1[n]s[n]2)c1scc(c1SC)SC)C	


key: InChI
value:
  InChI=1S/C54H44N6O4S14/c1-21-13-14-61-37(21)38-22(2)15-28(62-38)44-51(69-9)54(72-12)48(75-44)36-34-32(58-78-60-34)26(19-56-36)42-49(67-7)50(68-8)43(74-42)27-16-23(3)39(63-27)40-24(4)17-29(64-40)45-52(70-10)53(71-11)47(76-45)35-33-31(57-77-59-33)25(18-55-35)41-46(66-6)30(65-5)20-73-41/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(ccs3)OC)OC)o1)SC)SC)c1c(c(c(o1)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(co5)SC)SC)[N]O[N]6)o4)SC)SC)cc3OC)c(c1)OC)SC)SC)non2	


key: CAN_SMILES
value:
  COc1cc(sc1c1sc(cc1OC)c1oc(c(c1SC)SC)c1ncc(c2c1[N]O[N]2)c1occ(c1SC)SC)c1oc(c(c1SC)SC)c1cnc(c2c1non2)c1oc(c(c1SC)SC)c1cc(c(s1)c1sccc1OC)OC	


key: InChI
value:
  InChI=1S/C54H44N6O10S12/c1-61-23-13-14-79-44(23)45-24(62-2)15-28(80-45)40-51(75-9)54(78-12)43(67-40)36-34-32(58-70-60-34)22(19-56-36)38-49(73-7)50(74-8)39(66-38)27-16-25(63-3)46(81-27)47-26(64-4)17-29(82-47)41-52(76-10)53(77-11)42(68-41)35-33-31(57-69-59-33)21(18-55-35)37-48(72-6)30(71-5)20-65-37/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(cc(n3C)c3c(c(c(c4c5c(c(c6c(c(c(s6)c6cc(c(c7c(ccn7C)F)n6C)F)F)F)nc4)[n]s[n]5)s3)F)F)F)n1C)F)F)F)c1c(c(cs1)F)F)nsn2	


key: CAN_SMILES
value:
  Fc1c(sc(c1F)c1cnc(c2c1[n]s[n]2)c1sc(c(c1F)F)c1cc(c(n1C)c1n(C)ccc1F)F)c1cc(c(n1C)c1c(F)cc(n1C)c1sc(c(c1F)F)c1ncc(c2c1nsn2)c1scc(c1F)F)F	


key: InChI
value:
  InChI=1S/C46H20F12N10S6/c1-65-6-5-15(47)36(65)37-16(48)7-21(66(37)2)43-26(55)28(57)46(71-43)35-33-31(62-74-64-33)14(11-60-35)41-24(53)25(54)42(70-41)20-8-17(49)38(67(20)3)39-18(50)9-22(68(39)4)44-27(56)29(58)45(72-44)34-32-30(61-73-63-32)13(10-59-34)40-23(52)19(51)12-69-40/h5-12H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1ccc(c3cccn3C)n1C)F)F)c1c(c(c(s1)c1ccc(c3ccc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)F)F)nsn6)s4)F)F)n3C)n1C)F)F)nsn2	


key: CAN_SMILES
value:
  Cn1c(ccc1c1ccc(n1C)c1sc(c(c1F)F)c1ncc(c2c1nsn2)c1scc(c1F)F)c1sc(c(c1F)F)c1cnc(c2c1nsn2)c1sc(c(c1F)F)c1ccc(n1C)c1cccn1C	


key: InChI
value:
  InChI=1S/C46H24F8N10S6/c1-61-13-5-6-20(61)21-7-10-25(62(21)2)43-30(51)32(53)46(67-43)39-37-35(58-70-60-37)18(15-56-39)41-28(49)29(50)42(66-41)24-11-8-22(63(24)3)23-9-12-26(64(23)4)44-31(52)33(54)45(68-44)38-36-34(57-69-59-36)17(14-55-38)40-27(48)19(47)16-65-40/h5-16H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(cco3)F)o1)F)F)F)c1c(c(c(s1)c1cc(c(c3c(cc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)F)F)nsn6)s4)F)F)o3)F)o1)F)F)F)nsn2	


key: CAN_SMILES
value:
  Fc1c(sc(c1F)c1cnc(c2c1nsn2)c1sc(c(c1F)F)c1cc(c(o1)c1occc1F)F)c1cc(c(o1)c1oc(cc1F)c1sc(c(c1F)F)c1ncc(c2c1nsn2)c1scc(c1F)F)F	


key: InChI
value:
  InChI=1S/C42H8F12N6O4S6/c43-11-1-2-61-32(11)33-12(44)3-17(62-33)39-22(51)24(53)42(67-39)31-29-27(58-70-60-29)10(7-56-31)37-20(49)21(50)38(66-37)16-4-13(45)34(63-16)35-14(46)5-18(64-35)40-23(52)25(54)41(68-40)30-28-26(57-69-59-28)9(6-55-30)36-19(48)15(47)8-65-36/h1-8H


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(s1)c1c(ccs1)F)F)F)F)c1c(c(c(s1)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)F)F)[n]s[n]6)s4)F)F)cc3F)c(c1)F)F)F)nsn2	


key: CAN_SMILES
value:
  Fc1c(sc(c1F)c1cnc(c2c1nsn2)c1sc(c(c1F)F)c1cc(c(s1)c1sccc1F)F)c1cc(c(s1)c1sc(cc1F)c1sc(c(c1F)F)c1ncc(c2c1[n]s[n]2)c1scc(c1F)F)F	


key: InChI
value:
  InChI=1S/C42H8F12N6S10/c43-11-1-2-61-34(11)35-12(44)3-17(63-35)39-22(51)24(53)42(67-39)31-29-27(58-70-60-29)10(7-56-31)33-20(49)21(50)38(66-33)16-4-13(45)36(64-16)37-14(46)5-18(65-37)40-23(52)25(54)41(68-40)30-28-26(57-69-59-28)9(6-55-30)32-19(48)15(47)8-62-32/h1-8H


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1ccc(c3ccc(o3)c3c(c(c(c4c5c(c(c6c(c(c(s6)c6ccc(c7ccco7)o6)F)F)nc4)[n]s[n]5)s3)F)F)o1)F)F)c1c(c(cs1)F)F)nsn2	


key: CAN_SMILES
value:
  Fc1c(sc(c1F)c1cnc(c2c1[n]s[n]2)c1sc(c(c1F)F)c1ccc(o1)c1ccco1)c1ccc(o1)c1ccc(o1)c1sc(c(c1F)F)c1ncc(c2c1nsn2)c1scc(c1F)F	


key: InChI
value:
  InChI=1S/C42H12F8N6O4S6/c43-15-12-61-36(23(15)44)13-10-51-34(32-30(13)53-65-55-32)41-29(50)27(48)40(64-41)22-8-5-19(60-22)18-4-7-20(59-18)38-25(46)24(45)37(62-38)14-11-52-35(33-31(14)54-66-56-33)42-28(49)26(47)39(63-42)21-6-3-17(58-21)16-2-1-9-57-16/h1-12H


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(ccn3C)OC)n1C)OC)F)F)c1c(c(c(s1)c1cc(c(c3c(cc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)F)F)[n]s[n]6)s4)F)F)n3C)OC)n1C)OC)F)F)nsn2	


key: CAN_SMILES
value:
  COc1cc(n(c1c1c(OC)cc(n1C)c1sc(c(c1F)F)c1ncc(c2c1[n]s[n]2)c1scc(c1F)F)C)c1sc(c(c1F)F)c1cnc(c2c1nsn2)c1sc(c(c1F)F)c1cc(c(n1C)c1n(C)ccc1OC)OC	


key: InChI
value:
  InChI=1S/C50H32F8N10O4S6/c1-65-10-9-23(69-5)40(65)41-24(70-6)11-21(66(41)2)47-30(55)32(57)50(75-47)39-37-35(62-78-64-37)18(15-60-39)45-28(53)29(54)46(74-45)20-12-25(71-7)42(67(20)3)43-26(72-8)13-22(68(43)4)48-31(56)33(58)49(76-48)38-36-34(61-77-63-36)17(14-59-38)44-27(52)19(51)16-73-44/h9-16H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1ccc(s1)c1cccs1)F)F)c1c(c(c(s1)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)F)F)nsn6)s4)F)F)cc3)cc1)F)F)nsn2	


key: CAN_SMILES
value:
  Fc1c(sc(c1F)c1cnc(c2c1nsn2)c1sc(c(c1F)F)c1ccc(s1)c1cccs1)c1ccc(s1)c1ccc(s1)c1sc(c(c1F)F)c1ncc(c2c1nsn2)c1scc(c1F)F	


key: InChI
value:
  InChI=1S/C42H12F8N6S10/c43-15-12-58-36(23(15)44)13-10-51-34(32-30(13)53-65-55-32)41-29(50)27(48)40(64-41)22-8-5-19(61-22)18-4-7-20(60-18)38-25(46)24(45)37(62-38)14-11-52-35(33-31(14)54-66-56-33)42-28(49)26(47)39(63-42)21-6-3-17(59-21)16-2-1-9-57-16/h1-12H


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(ccn3C)SC)n1C)SC)F)F)c1c(c(c(s1)c1cc(c(c3c(cc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)F)F)[n]s[n]6)s4)F)F)n3C)SC)n1C)SC)F)F)nsn2	


key: CAN_SMILES
value:
  CSc1cc(n(c1c1c(SC)cc(n1C)c1sc(c(c1F)F)c1ncc(c2c1[n]s[n]2)c1scc(c1F)F)C)c1sc(c(c1F)F)c1cnc(c2c1nsn2)c1sc(c(c1F)F)c1cc(c(n1C)c1n(C)ccc1SC)SC	


key: InChI
value:
  InChI=1S/C50H32F8N10S10/c1-65-10-9-23(69-5)40(65)41-24(70-6)11-21(66(41)2)47-30(55)32(57)50(75-47)39-37-35(62-78-64-37)18(15-60-39)45-28(53)29(54)46(74-45)20-12-25(71-7)42(67(20)3)43-26(72-8)13-22(68(43)4)48-31(56)33(58)49(76-48)38-36-34(61-77-63-36)17(14-59-38)44-27(52)19(51)16-73-44/h9-16H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(cc(o3)c3c(c(c(c4c5c(c(c6c(c(c(s6)c6cc(c(c7c(cco7)OC)o6)OC)F)F)nc4)[n]s[n]5)s3)F)F)OC)o1)OC)F)F)c1c(c(cs1)F)F)nsn2	


key: CAN_SMILES
value:
  COc1cc(oc1c1oc(cc1OC)c1sc(c(c1F)F)c1ncc(c2c1nsn2)c1scc(c1F)F)c1sc(c(c1F)F)c1cnc(c2c1[n]s[n]2)c1sc(c(c1F)F)c1cc(c(o1)c1occc1OC)OC	


key: InChI
value:
  InChI=1S/C46H20F8N6O8S6/c1-61-16-5-6-65-36(16)37-17(62-2)7-21(66-37)43-26(51)28(53)46(71-43)35-33-31(58-74-60-33)14(11-56-35)41-24(49)25(50)42(70-41)20-8-18(63-3)38(67-20)39-19(64-4)9-22(68-39)44-27(52)29(54)45(72-44)34-32-30(57-73-59-32)13(10-55-34)40-23(48)15(47)12-69-40/h5-12H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(s1)c1c(cc(s1)c1c(c(c(c3c4c(c(c5c(c(c(s5)c5cc(c(s5)c5c(ccs5)SC)SC)F)F)nc3)nsn4)s1)F)F)SC)SC)F)F)c1c(c(cs1)F)F)nsn2	


key: CAN_SMILES
value:
  CSc1cc(sc1c1sc(cc1SC)c1sc(c(c1F)F)c1ncc(c2c1nsn2)c1scc(c1F)F)c1sc(c(c1F)F)c1cnc(c2c1nsn2)c1sc(c(c1F)F)c1cc(c(s1)c1sccc1SC)SC	


key: InChI
value:
  InChI=1S/C46H20F8N6S14/c1-61-16-5-6-65-41(16)42-17(62-2)7-21(67-42)39-26(51)28(53)46(71-39)35-33-31(58-74-60-33)14(11-56-35)37-24(49)25(50)38(70-37)20-8-18(63-3)43(68-20)44-19(64-4)9-22(69-44)40-27(52)29(54)45(72-40)34-32-30(57-73-59-32)13(10-55-34)36-23(48)15(47)12-66-36/h5-12H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3cc(c(s3)c3c(cc(s3)c3ccc(c4c5c(c(c6ccc(c7cc(c(s7)c7c(ccs7)F)F)n6C)nc4)nn(n5)C)n3C)F)F)n1C)c1cccn1C)nn(n2)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(cnc2c1ccc(n1C)c1cc(c(s1)c1sccc1F)F)c1ccc(n1C)c1cc(c(s1)c1sc(cc1F)c1ccc(n1C)c1ncc(c2c1nn(n2)C)c1cccn1C)F	


key: InChI
value:
  InChI=1S/C48H34F4N12S4/c1-59-16-7-8-29(59)23-21-53-41(43-39(23)55-63(5)57-43)34-14-12-33(62(34)4)38-20-28(52)48(68-38)47-27(51)19-36(67-47)31-10-9-30(60(31)2)24-22-54-42(44-40(24)56-64(6)58-44)35-13-11-32(61(35)3)37-18-26(50)46(66-37)45-25(49)15-17-65-45/h7-22H,1-6H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(s1)c1c(cc(s1)c1c(c(c(c3c4c(c(c5c(c(c(s5)c5cc(c(s5)c5c(ccs5)OC)OC)F)F)nc3)nsn4)s1)F)F)OC)OC)F)F)c1c(c(cs1)F)F)nsn2	


key: CAN_SMILES
value:
  COc1cc(sc1c1sc(cc1OC)c1sc(c(c1F)F)c1ncc(c2c1nsn2)c1scc(c1F)F)c1sc(c(c1F)F)c1cnc(c2c1nsn2)c1sc(c(c1F)F)c1cc(c(s1)c1sccc1OC)OC	


key: InChI
value:
  InChI=1S/C46H20F8N6O4S10/c1-61-16-5-6-65-38(16)39-17(62-2)7-21(67-39)43-26(51)28(53)46(71-43)35-33-31(58-74-60-33)14(11-56-35)37-24(49)25(50)42(70-37)20-8-18(63-3)40(68-20)41-19(64-4)9-22(69-41)44-27(52)29(54)45(72-44)34-32-30(57-73-59-32)13(10-55-34)36-23(48)15(47)12-66-36/h5-12H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3ccc(c4ccc(o4)c4ccc(c5c6c(c(c7ccc(c8ccc(c9ccco9)o8)n7C)nc5)nn(n6)C)n4C)o3)n1C)c1cccn1C)nn(n2)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1ccc(n1C)c1ccc(o1)c1ccc(o1)c1ccc(n1C)c1ncc(c2c1nn(n2)C)c1cccn1C)c1ccc(n1C)c1ccc(o1)c1ccco1	


key: InChI
value:
  InChI=1S/C48H38N12O4/c1-55-23-7-9-29(55)27-25-49-45(47-43(27)51-59(5)53-47)34-16-14-33(58(34)4)38-19-22-42(64-38)41-21-18-36(63-41)31-12-11-30(56(31)2)28-26-50-46(48-44(28)52-60(6)54-48)35-15-13-32(57(35)3)37-17-20-40(62-37)39-10-8-24-61-39/h7-26H,1-6H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(cc(o3)c3c(c(c(c4c5c(c(c6c(c(c(s6)c6cc(c(c7c(cco7)SC)o6)SC)F)F)nc4)nsn5)s3)F)F)SC)o1)SC)F)F)c1c(c(cs1)F)F)nsn2	


key: CAN_SMILES
value:
  CSc1cc(oc1c1oc(cc1SC)c1sc(c(c1F)F)c1ncc(c2c1nsn2)c1scc(c1F)F)c1sc(c(c1F)F)c1cnc(c2c1nsn2)c1sc(c(c1F)F)c1cc(c(o1)c1occc1SC)SC	


key: InChI
value:
  InChI=1S/C46H20F8N6O4S10/c1-65-19-5-6-61-36(19)37-20(66-2)7-17(62-37)43-26(51)28(53)46(71-43)35-33-31(58-74-60-33)14(11-56-35)41-24(49)25(50)42(70-41)16-8-21(67-3)38(63-16)39-22(68-4)9-18(64-39)44-27(52)29(54)45(72-44)34-32-30(57-73-59-32)13(10-55-34)40-23(48)15(47)12-69-40/h5-12H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3cc(c(s3)c3c(cc(s3)c3ccc(c4c5c(c(c6ccc(c7cc(c(s7)c7c(ccs7)C)C)n6C)nc4)nn(n5)C)n3C)C)C)n1C)c1cccn1C)nn(n2)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(cnc2c1ccc(n1C)c1cc(c(s1)c1sccc1C)C)c1ccc(n1C)c1cc(c(s1)c1sc(cc1C)c1ccc(n1C)c1ncc(c2c1nn(n2)C)c1cccn1C)C	


key: InChI
value:
  InChI=1S/C52H46N12S4/c1-27-19-21-65-49(27)50-28(2)22-41(66-50)36-15-17-39(61(36)7)46-48-44(56-64(10)58-48)32(26-54-46)34-13-14-35(60(34)6)40-23-29(3)51(67-40)52-30(4)24-42(68-52)37-16-18-38(62(37)8)45-47-43(55-63(9)57-47)31(25-53-45)33-12-11-20-59(33)5/h11-26H,1-10H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3ccc(c4ccc(n4C)c4ccc(c5c6c(c(c7ccc(c8ccc(c9cccn9C)n8C)n7C)nc5)[N]N([N]6)C)n4C)n3C)n1C)c1cccn1C)nn(n2)C	


key: CAN_SMILES
value:
  CN1[N]c2c([N]1)c(cnc2c1ccc(n1C)c1ccc(n1C)c1cccn1C)c1ccc(n1C)c1ccc(n1C)c1ccc(n1C)c1ccc(n1C)c1ncc(c2c1nn(n2)C)c1cccn1C	


key: InChI
value:
  InChI=1S/C52H50N16/c1-59-27-11-13-33(59)31-29-53-49(51-47(31)55-67(9)57-51)45-26-24-44(66(45)8)42-22-21-40(64(42)6)39-20-19-38(63(39)5)37-16-15-34(61(37)3)32-30-54-50(52-48(32)56-68(10)58-52)46-25-23-43(65(46)7)41-18-17-36(62(41)4)35-14-12-28-60(35)2/h11-30H,1-10H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(ccs3)SC)SC)o1)SC)SC)c1c(c(c(o1)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(co5)SC)SC)non6)o4)SC)SC)cc3SC)c(c1)SC)SC)SC)non2	


key: CAN_SMILES
value:
  CSc1c(oc(c1SC)c1cnc(c2c1non2)c1oc(c(c1SC)SC)c1sc(c(c1)SC)c1sccc1SC)c1sc(c(c1)SC)c1sc(cc1SC)c1oc(c(c1SC)SC)c1ncc(c2c1non2)c1occ(c1SC)SC	


key: InChI
value:
  InChI=1S/C54H44N6O6S16/c1-67-23-13-14-79-45(23)46-27(68-2)15-25(80-46)40-51(75-9)54(78-12)43(63-40)36-34-32(58-66-60-34)22(19-56-36)38-49(73-7)50(74-8)39(62-38)24-16-28(69-3)47(81-24)48-29(70-4)17-26(82-48)41-52(76-10)53(77-11)42(64-41)35-33-31(57-65-59-33)21(18-55-35)37-44(72-6)30(71-5)20-61-37/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3cc(c(s3)c3c(cc(s3)c3ccc(c4c5c(c(c6ccc(c7cc(c(s7)c7c(ccs7)OC)OC)n6C)nc4)nn(n5)C)n3C)OC)OC)n1C)c1cccn1C)nn(n2)C	


key: CAN_SMILES
value:
  COc1cc(sc1c1sc(cc1OC)c1ccc(n1C)c1cnc(c2c1nn(n2)C)c1ccc(n1C)c1cc(c(s1)c1sccc1OC)OC)c1ccc(n1C)c1ncc(c2c1nn(n2)C)c1cccn1C	


key: InChI
value:
  InChI=1S/C52H46N12O4S4/c1-59-20-11-12-29(59)27-25-53-45(47-43(27)55-63(5)57-47)34-18-16-33(62(34)4)42-24-39(68-10)52(72-42)51-38(67-9)23-40(71-51)31-14-13-30(60(31)2)28-26-54-46(48-44(28)56-64(6)58-48)35-17-15-32(61(35)3)41-22-37(66-8)50(70-41)49-36(65-7)19-21-69-49/h11-26H,1-10H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(s1)c1c(ccs1)C)C)SC)SC)c1c(c(c(s1)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)SC)SC)[n]s[n]6)s4)SC)SC)cc3C)c(c1)C)SC)SC)nsn2	


key: CAN_SMILES
value:
  CSc1c(sc(c1SC)c1cnc(c2c1nsn2)c1sc(c(c1SC)SC)c1cc(c(s1)c1sccc1C)C)c1cc(c(s1)c1sc(cc1C)c1sc(c(c1SC)SC)c1ncc(c2c1[n]s[n]2)c1scc(c1SC)SC)C	


key: InChI
value:
  InChI=1S/C54H44N6S18/c1-21-13-14-69-37(21)38-22(2)15-28(71-38)45-51(65-9)54(68-12)48(75-45)36-34-32(58-78-60-34)26(19-56-36)42-49(63-7)50(64-8)44(74-42)27-16-23(3)39(72-27)40-24(4)17-29(73-40)46-52(66-10)53(67-11)47(76-46)35-33-31(57-77-59-33)25(18-55-35)41-43(62-6)30(61-5)20-70-41/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3cc(c(c4c(ccn4C)C)n3C)C)o1)c1ccc(o1)c1cc(c(c3c(cc(c4ccc(c5c6c(c(cn5)c5ccco5)non6)o4)n3C)C)n1C)C)non2	


key: CAN_SMILES
value:
  Cc1cc(n(c1c1c(C)cc(n1C)c1ccc(o1)c1ncc(c2c1non2)c1ccco1)C)c1ccc(o1)c1cnc(c2c1non2)c1ccc(o1)c1cc(c(n1C)c1c(C)ccn1C)C	


key: InChI
value:
  InChI=1S/C50H40N10O6/c1-25-17-18-57(5)47(25)48-26(2)20-32(58(48)6)37-13-15-40(63-37)44-46-42(54-66-56-46)30(24-52-44)35-11-12-36(62-35)31-21-27(3)49(59(31)7)50-28(4)22-33(60(50)8)38-14-16-39(64-38)43-45-41(53-65-55-45)29(23-51-43)34-10-9-19-61-34/h9-24H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3cc(c(c4c(cco4)F)o3)F)o1)c1ccc(o1)c1cc(c(c3c(cc(c4ccc(c5c6c(c(cn5)c5ccco5)non6)o4)o3)F)o1)F)non2	


key: CAN_SMILES
value:
  Fc1cc(oc1c1oc(cc1F)c1ccc(o1)c1ncc(c2c1non2)c1ccco1)c1ccc(o1)c1cnc(c2c1non2)c1ccc(o1)c1cc(c(o1)c1occc1F)F	


key: InChI
value:
  InChI=1S/C42H16F4N6O10/c43-19-9-11-54-39(19)40-20(44)12-31(58-40)26-5-7-29(56-26)36-38-34(50-62-52-38)18(16-48-36)24-3-4-25(55-24)30-13-21(45)41(59-30)42-22(46)14-32(60-42)27-6-8-28(57-27)35-37-33(49-61-51-37)17(15-47-35)23-2-1-10-53-23/h1-16H


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3ccc(c4ccco4)o3)o1)c1cc(co1)c1ccc(c3ccc(c4ccc(c5c6c(c(cn5)c5ccco5)non6)o4)o3)o1)non2	


key: CAN_SMILES
value:
  c1coc(c1)c1ccc(o1)c1ccc(o1)c1ncc(c2c1non2)c1occ(c1)c1ccc(o1)c1ccc(o1)c1ccc(o1)c1ncc(c2c1non2)c1ccco1	


key: InChI
value:
  InChI=1S/C42H20N6O10/c1-3-25(49-15-1)22-18-43-39(41-37(22)45-57-47-41)34-14-12-33(56-34)31-10-9-29(54-31)28-6-5-24(52-28)21-17-36(51-20-21)23-19-44-40(42-38(23)46-58-48-42)35-13-11-32(55-35)30-8-7-27(53-30)26-4-2-16-50-26/h1-20H


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3cc(c(c4c(ccn4C)OC)n3C)OC)o1)c1ccc(o1)c1cc(c(c3c(cc(c4ccc(c5c6c(c(cn5)c5ccco5)non6)o4)n3C)OC)n1C)OC)non2	


key: CAN_SMILES
value:
  COc1cc(n(c1c1c(OC)cc(n1C)c1ccc(o1)c1ncc(c2c1non2)c1ccco1)C)c1ccc(o1)c1cnc(c2c1non2)c1ccc(o1)c1cc(c(n1C)c1c(OC)ccn1C)OC	


key: InChI
value:
  InChI=1S/C50H40N10O10/c1-57-18-17-37(61-5)47(57)48-38(62-6)20-28(58(48)2)33-13-15-36(67-33)44-46-42(54-70-56-46)26(24-52-44)31-11-12-32(66-31)27-21-39(63-7)49(59(27)3)50-40(64-8)22-29(60(50)4)34-14-16-35(68-34)43-45-41(53-69-55-45)25(23-51-43)30-10-9-19-65-30/h9-24H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3cc(c(c4c(cc(o4)c4ccc(c5c6c(c(c7ccc(c8cc(c(c9c(cco9)OC)o8)OC)o7)nc5)non6)o4)OC)o3)OC)o1)c1ccco1)[N]O[N]2	


key: CAN_SMILES
value:
  COc1cc(oc1c1oc(cc1OC)c1ccc(o1)c1ncc(c2c1[N]O[N]2)c1ccco1)c1ccc(o1)c1cnc(c2c1non2)c1ccc(o1)c1oc(c(c1)OC)c1occc1OC	


key: InChI
value:
  InChI=1S/C46H28N6O14/c1-53-30-13-15-58-43(30)44-34(54-2)16-32(62-44)26-9-11-29(60-26)40-42-38(50-66-52-42)22(20-48-40)24-7-8-25(59-24)31-17-35(55-3)45(63-31)46-36(56-4)18-33(64-46)27-10-12-28(61-27)39-41-37(49-65-51-41)21(19-47-39)23-6-5-14-57-23/h5-20H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3cc(c(s3)c3c(cc(s3)c3ccc(c4c5c(c(c6ccc(c7cc(c(s7)c7c(ccs7)SC)SC)o6)nc4)non5)o3)SC)SC)o1)c1ccco1)non2	


key: CAN_SMILES
value:
  CSc1cc(sc1c1sc(cc1SC)c1ccc(o1)c1ncc(c2c1non2)c1ccco1)c1ccc(o1)c1cnc(c2c1non2)c1ccc(o1)c1sc(c(c1)SC)c1sccc1SC	


key: InChI
value:
  InChI=1S/C46H28N6O6S8/c1-59-30-13-15-63-43(30)44-34(60-2)16-32(64-44)26-9-11-29(55-26)40-42-38(50-58-52-42)22(20-48-40)24-7-8-25(54-24)31-17-35(61-3)45(65-31)46-36(62-4)18-33(66-46)27-10-12-28(56-27)39-41-37(49-57-51-41)21(19-47-39)23-6-5-14-53-23/h5-20H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(s1)c1ccc(c3cccn3C)n1C)c1ccc(s1)c1ccc(c3ccc(c4ccc(c5c6c(c(cn5)c5cccs5)nsn6)s4)n3C)n1C)nsn2	


key: CAN_SMILES
value:
  Cn1c(ccc1c1ccc(n1C)c1ccc(s1)c1ncc(c2c1nsn2)c1cccs1)c1ccc(s1)c1cnc(c2c1nsn2)c1ccc(s1)c1ccc(n1C)c1cccn1C	


key: InChI
value:
  InChI=1S/C46H32N10S6/c1-53-21-5-7-27(53)28-9-12-32(54(28)2)37-17-19-40(59-37)44-46-42(50-62-52-46)26(24-48-44)35-15-16-36(58-35)31-13-10-29(55(31)3)30-11-14-33(56(30)4)38-18-20-39(60-38)43-45-41(49-61-51-45)25(23-47-43)34-8-6-22-57-34/h5-24H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(ccn3C)F)n1C)F)SC)SC)c1c(c(c(s1)c1cc(c(c3c(cc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)SC)SC)nsn6)s4)SC)SC)n3C)F)n1C)F)SC)SC)nsn2	


key: CAN_SMILES
value:
  CSc1c(SC)c(sc1c1cc(c(n1C)c1c(F)cc(n1C)c1sc(c(c1SC)SC)c1ncc(c2c1nsn2)c1scc(c1SC)SC)F)c1cnc(c2c1nsn2)c1sc(c(c1SC)SC)c1cc(c(n1C)c1c(F)ccn1C)F	


key: InChI
value:
  InChI=1S/C54H44F4N10S14/c1-65-14-13-23(55)37(65)38-24(56)15-28(66(38)2)44-51(73-9)54(76-12)48(79-44)36-34-32(62-82-64-34)22(19-60-36)42-49(71-7)50(72-8)43(78-42)27-16-25(57)39(67(27)3)40-26(58)17-29(68(40)4)45-52(74-10)53(75-11)47(80-45)35-33-31(61-81-63-33)21(18-59-35)41-46(70-6)30(69-5)20-77-41/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(cco3)F)o1)F)SC)SC)c1c(c(c(s1)c1cc(c(c3c(cc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)SC)SC)[n]s[n]6)s4)SC)SC)o3)F)o1)F)SC)SC)nsn2	


key: CAN_SMILES
value:
  CSc1c(sc(c1SC)c1cnc(c2c1nsn2)c1sc(c(c1SC)SC)c1cc(c(o1)c1occc1F)F)c1cc(c(o1)c1oc(cc1F)c1sc(c(c1SC)SC)c1ncc(c2c1[n]s[n]2)c1scc(c1SC)SC)F	


key: InChI
value:
  InChI=1S/C50H32F4N6O4S14/c1-65-26-16-73-37(42(26)66-2)17-14-55-31(29-27(17)57-77-59-29)43-49(71-7)48(70-6)41(76-43)25-13-22(54)36(64-25)35-21(53)12-23(63-35)39-46(68-4)45(67-3)38(74-39)18-15-56-32(30-28(18)58-78-60-30)44-50(72-8)47(69-5)40(75-44)24-11-20(52)34(62-24)33-19(51)9-10-61-33/h9-16H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(cc(o3)c3c(c(c(c4c5c(c(c6c(c(c(s6)c6cc(c(c7c(cco7)OC)o6)OC)SC)SC)nc4)nsn5)s3)SC)SC)OC)o1)OC)SC)SC)c1c(c(cs1)SC)SC)nsn2	


key: CAN_SMILES
value:
  COc1cc(oc1c1oc(cc1OC)c1sc(c(c1SC)SC)c1ncc(c2c1nsn2)c1scc(c1SC)SC)c1sc(c(c1SC)SC)c1cnc(c2c1nsn2)c1sc(c(c1SC)SC)c1cc(c(o1)c1occc1OC)OC	


key: InChI
value:
  InChI=1S/C54H44N6O8S14/c1-61-23-13-14-65-37(23)38-24(62-2)15-28(66-38)44-51(73-9)54(76-12)48(79-44)36-34-32(58-82-60-34)22(19-56-36)42-49(71-7)50(72-8)43(78-42)27-16-25(63-3)39(67-27)40-26(64-4)17-29(68-40)45-52(74-10)53(75-11)47(80-45)35-33-31(57-81-59-33)21(18-55-35)41-46(70-6)30(69-5)20-77-41/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(ccn3C)C)n1C)C)SC)SC)c1c(c(c(s1)c1cc(c(c3c(cc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)SC)SC)[n]s[n]6)s4)SC)SC)n3C)C)n1C)C)SC)SC)nsn2	


key: CAN_SMILES
value:
  CSc1c(SC)c(sc1c1cc(c(n1C)c1c(C)cc(n1C)c1sc(c(c1SC)SC)c1ncc(c2c1[n]s[n]2)c1scc(c1SC)SC)C)c1cnc(c2c1nsn2)c1sc(c(c1SC)SC)c1cc(c(n1C)c1c(C)ccn1C)C	


key: InChI
value:
  InChI=1S/C58H56N10S14/c1-25-17-18-65(5)41(25)42-26(2)19-32(66(42)6)48-55(73-13)58(76-16)52(79-48)40-38-36(62-82-64-38)30(23-60-40)46-53(71-11)54(72-12)47(78-46)31-20-27(3)43(67(31)7)44-28(4)21-33(68(44)8)49-56(74-14)57(75-15)51(80-49)39-37-35(61-81-63-37)29(22-59-39)45-50(70-10)34(69-9)24-77-45/h17-24H,1-16H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1ccc(s1)c1ccc(s1)c1c(c(c(c3c4c(c(c5c(c(c(s5)c5ccc(s5)c5cccs5)SC)SC)nc3)nsn4)s1)SC)SC)SC)SC)c1c(c(cs1)SC)SC)nsn2	


key: CAN_SMILES
value:
  CSc1c(sc(c1SC)c1cnc(c2c1nsn2)c1sc(c(c1SC)SC)c1ccc(s1)c1cccs1)c1ccc(s1)c1ccc(s1)c1sc(c(c1SC)SC)c1ncc(c2c1nsn2)c1scc(c1SC)SC	


key: InChI
value:
  InChI=1S/C50H36N6S18/c1-57-30-20-66-37(39(30)58-2)21-18-51-35(33-31(21)53-73-55-33)43-49(63-7)48(62-6)42(72-43)29-16-13-26(69-29)25-12-15-27(68-25)40-46(60-4)45(59-3)38(70-40)22-19-52-36(34-32(22)54-74-56-34)44-50(64-8)47(61-5)41(71-44)28-14-11-24(67-28)23-10-9-17-65-23/h9-20H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(s1)c1c(cc(s1)c1c(c(c(c3c4c(c(c5c(c(c(s5)c5cc(c(s5)c5c(ccs5)OC)OC)SC)SC)nc3)nsn4)s1)SC)SC)OC)OC)SC)SC)c1c(c(cs1)SC)SC)nsn2	


key: CAN_SMILES
value:
  COc1cc(sc1c1sc(cc1OC)c1sc(c(c1SC)SC)c1ncc(c2c1nsn2)c1scc(c1SC)SC)c1sc(c(c1SC)SC)c1cnc(c2c1nsn2)c1sc(c(c1SC)SC)c1cc(c(s1)c1sccc1OC)OC	


key: InChI
value:
  InChI=1S/C54H44N6O4S18/c1-61-23-13-14-73-39(23)40-24(62-2)15-28(75-40)45-51(69-9)54(72-12)48(79-45)36-34-32(58-82-60-34)22(19-56-36)38-49(67-7)50(68-8)44(78-38)27-16-25(63-3)41(76-27)42-26(64-4)17-29(77-42)46-52(70-10)53(71-11)47(80-46)35-33-31(57-81-59-33)21(18-55-35)37-43(66-6)30(65-5)20-74-37/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(s1)c1c(ccs1)F)F)SC)SC)c1c(c(c(s1)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)SC)SC)[n]s[n]6)s4)SC)SC)cc3F)c(c1)F)SC)SC)nsn2	


key: CAN_SMILES
value:
  CSc1c(sc(c1SC)c1cnc(c2c1nsn2)c1sc(c(c1SC)SC)c1cc(c(s1)c1sccc1F)F)c1cc(c(s1)c1sc(cc1F)c1sc(c(c1SC)SC)c1ncc(c2c1[n]s[n]2)c1scc(c1SC)SC)F	


key: InChI
value:
  InChI=1S/C50H32F4N6S18/c1-61-26-16-70-33(39(26)62-2)17-14-55-31(29-27(17)57-77-59-29)43-49(67-7)48(66-6)42(76-43)25-13-22(54)38(73-25)37-21(53)12-23(72-37)40-46(64-4)45(63-3)34(74-40)18-15-56-32(30-28(18)58-78-60-30)44-50(68-8)47(65-5)41(75-44)24-11-20(52)36(71-24)35-19(51)9-10-69-35/h9-16H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1ccc(c3ccco3)o1)SC)SC)c1c(c(c(s1)c1ccc(c3ccc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)SC)SC)nsn6)s4)SC)SC)o3)o1)SC)SC)nsn2	


key: CAN_SMILES
value:
  CSc1c(sc(c1SC)c1cnc(c2c1nsn2)c1sc(c(c1SC)SC)c1ccc(o1)c1ccco1)c1ccc(o1)c1ccc(o1)c1sc(c(c1SC)SC)c1ncc(c2c1nsn2)c1scc(c1SC)SC	


key: InChI
value:
  InChI=1S/C50H36N6O4S14/c1-61-30-20-69-37(42(30)62-2)21-18-51-35(33-31(21)53-73-55-33)43-49(67-7)48(66-6)41(72-43)29-16-13-26(60-29)25-12-15-27(59-25)39-46(64-4)45(63-3)38(70-39)22-19-52-36(34-32(22)54-74-56-34)44-50(68-8)47(65-5)40(71-44)28-14-11-24(58-28)23-10-9-17-57-23/h9-20H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(cc(o3)c3c(c(c(c4c5c(c(c6c(c(c(s6)c6cc(c(c7c(cco7)SC)o6)SC)SC)SC)nc4)nsn5)s3)SC)SC)SC)o1)SC)SC)SC)c1c(c(cs1)SC)SC)[n]s[n]2	


key: CAN_SMILES
value:
  CSc1c(sc(c1SC)c1cnc(c2c1nsn2)c1sc(c(c1SC)SC)c1oc(c(c1)SC)c1occc1SC)c1oc(c(c1)SC)c1oc(cc1SC)c1sc(c(c1SC)SC)c1ncc(c2c1[n]s[n]2)c1scc(c1SC)SC	


key: InChI
value:
  InChI=1S/C54H44N6O4S18/c1-65-26-13-14-61-37(26)38-27(66-2)15-24(62-38)44-51(73-9)54(76-12)48(79-44)36-34-32(58-82-60-34)22(19-56-36)42-49(71-7)50(72-8)43(78-42)23-16-28(67-3)39(63-23)40-29(68-4)17-25(64-40)45-52(74-10)53(75-11)47(80-45)35-33-31(57-81-59-33)21(18-55-35)41-46(70-6)30(69-5)20-77-41/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(s1)c1c(cc(s1)c1c(c(c(c3c4c(c(c5c(c(c(s5)c5cc(c(s5)c5c(ccs5)SC)SC)SC)SC)nc3)nsn4)s1)SC)SC)SC)SC)SC)SC)c1c(c(cs1)SC)SC)[n]s[n]2	


key: CAN_SMILES
value:
  CSc1c(sc(c1SC)c1cnc(c2c1nsn2)c1sc(c(c1SC)SC)c1sc(c(c1)SC)c1sccc1SC)c1sc(c(c1)SC)c1sc(cc1SC)c1sc(c(c1SC)SC)c1ncc(c2c1[n]s[n]2)c1scc(c1SC)SC	


key: InChI
value:
  InChI=1S/C54H44N6S22/c1-61-23-13-14-73-40(23)41-24(62-2)15-28(75-41)45-51(69-9)54(72-12)48(79-45)36-34-32(58-82-60-34)22(19-56-36)38-49(67-7)50(68-8)44(78-38)27-16-25(63-3)42(76-27)43-26(64-4)17-29(77-43)46-52(70-10)53(71-11)47(80-46)35-33-31(57-81-59-33)21(18-55-35)37-39(66-6)30(65-5)20-74-37/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(ccn3C)OC)n1C)OC)SC)SC)c1c(c(c(s1)c1cc(c(c3c(cc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)SC)SC)nsn6)s4)SC)SC)n3C)OC)n1C)OC)SC)SC)nsn2	


key: CAN_SMILES
value:
  COc1cc(n(c1c1c(OC)cc(n1C)c1sc(c(c1SC)SC)c1ncc(c2c1nsn2)c1scc(c1SC)SC)C)c1sc(c(c1SC)SC)c1cnc(c2c1nsn2)c1sc(c(c1SC)SC)c1cc(c(n1C)c1c(OC)ccn1C)OC	


key: InChI
value:
  InChI=1S/C58H56N10O4S14/c1-65-18-17-30(69-5)41(65)42-31(70-6)19-28(66(42)2)48-55(77-13)58(80-16)52(83-48)40-38-36(62-86-64-38)26(23-60-40)46-53(75-11)54(76-12)47(82-46)27-20-32(71-7)43(67(27)3)44-33(72-8)21-29(68(44)4)49-56(78-14)57(79-15)51(84-49)39-37-35(61-85-63-37)25(22-59-39)45-50(74-10)34(73-9)24-81-45/h17-24H,1-16H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(ccs3)OC)OC)n1C)OC)OC)c1c(c(c(n1C)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cn5C)OC)OC)[N]N([N]6)C)n4C)OC)OC)cc3OC)c(c1)OC)OC)OC)nn(n2)C	


key: CAN_SMILES
value:
  COc1cc(sc1c1sc(cc1OC)c1c(OC)c(c(n1C)c1ncc(c2c1[N]N([N]2)C)c1n(C)cc(c1OC)OC)OC)c1c(OC)c(c(n1C)c1cnc(c2c1nn(n2)C)c1c(OC)c(c(n1C)c1sc(c(c1)OC)c1sccc1OC)OC)OC	


key: InChI
value:
  InChI=1S/C60H62N12O12S4/c1-67-26-33(77-11)50(78-12)43(67)27-24-61-41(39-37(27)63-71(5)65-39)48-55(83-17)54(82-16)47(70(48)4)36-23-32(76-10)60(88-36)59-31(75-9)22-34(87-59)45-52(80-14)51(79-13)44(68(45)2)28-25-62-42(40-38(28)64-72(6)66-40)49-56(84-18)53(81-15)46(69(49)3)35-21-30(74-8)58(86-35)57-29(73-7)19-20-85-57/h19-26H,1-18H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(ccs3)SC)SC)n1C)OC)OC)c1c(c(c(n1C)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cn5C)OC)OC)nn(n6)C)n4C)OC)OC)cc3SC)c(c1)SC)OC)OC)nn(n2)C	


key: CAN_SMILES
value:
  CSc1cc(sc1c1sc(cc1SC)c1n(C)c(c(c1OC)OC)c1ncc(c2c1nn(n2)C)c1n(C)cc(c1OC)OC)c1n(C)c(c(c1OC)OC)c1cnc(c2c1nn(n2)C)c1n(C)c(c(c1OC)OC)c1cc(c(s1)c1sccc1SC)SC	


key: InChI
value:
  InChI=1S/C60H62N12O8S8/c1-67-26-29(73-7)50(74-8)43(67)27-24-61-41(39-37(27)63-71(5)65-39)48-55(79-13)54(78-12)47(70(48)4)33-23-36(84-18)60(88-33)59-35(83-17)22-31(87-59)45-52(76-10)51(75-9)44(68(45)2)28-25-62-42(40-38(28)64-72(6)66-40)49-56(80-14)53(77-11)46(69(49)3)32-21-34(82-16)58(86-32)57-30(81-15)19-20-85-57/h19-26H,1-18H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(cco3)C)o1)C)OC)OC)c1c(c(c(s1)c1cc(c(c3c(cc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)OC)OC)[n]s[n]6)s4)OC)OC)o3)C)o1)C)OC)OC)nsn2	


key: CAN_SMILES
value:
  COc1c(sc(c1OC)c1cnc(c2c1nsn2)c1sc(c(c1OC)OC)c1cc(c(o1)c1occc1C)C)c1cc(c(o1)c1oc(cc1C)c1sc(c(c1OC)OC)c1ncc(c2c1[n]s[n]2)c1scc(c1OC)OC)C	


key: InChI
value:
  InChI=1S/C54H44N6O12S6/c1-21-13-14-69-37(21)38-22(2)15-28(70-38)51-44(65-9)46(67-11)54(75-51)36-34-32(58-78-60-34)26(19-56-36)49-42(63-7)43(64-8)50(74-49)27-16-23(3)39(71-27)40-24(4)17-29(72-40)52-45(66-10)47(68-12)53(76-52)35-33-31(57-77-59-33)25(18-55-35)48-41(62-6)30(61-5)20-73-48/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(c4ccc(o4)c4c(c(c(c5c6c(c(c7c(c(c(c8ccc(c9ccco9)o8)o7)OC)OC)nc5)non6)o4)OC)OC)o3)o1)OC)OC)c1c(c(co1)OC)OC)non2	


key: CAN_SMILES
value:
  COc1c(oc(c1OC)c1cnc(c2c1non2)c1oc(c(c1OC)OC)c1ccc(o1)c1ccco1)c1ccc(o1)c1ccc(o1)c1oc(c(c1OC)OC)c1ncc(c2c1non2)c1occ(c1OC)OC	


key: InChI
value:
  InChI=1S/C50H36N6O18/c1-57-30-20-66-37(39(30)58-2)21-18-51-35(33-31(21)53-73-55-33)43-49(63-7)48(62-6)42(72-43)29-16-13-26(69-29)25-12-15-27(68-25)40-46(60-4)45(59-3)38(70-40)22-19-52-36(34-32(22)54-74-56-34)44-50(64-8)47(61-5)41(71-44)28-14-11-24(67-28)23-10-9-17-65-23/h9-20H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(cc(s3)c3c(c(c(c4c5c(c(c6c(c(c(c7cc(c(s7)c7c(ccs7)F)F)o6)OC)OC)nc4)non5)o3)OC)OC)F)F)o1)OC)OC)c1c(c(co1)OC)OC)non2	


key: CAN_SMILES
value:
  COc1c(oc(c1OC)c1cnc(c2c1non2)c1oc(c(c1OC)OC)c1cc(c(s1)c1sccc1F)F)c1cc(c(s1)c1sc(cc1F)c1oc(c(c1OC)OC)c1ncc(c2c1non2)c1occ(c1OC)OC)F	


key: InChI
value:
  InChI=1S/C50H32F4N6O14S4/c1-61-23-16-69-33(35(23)62-2)17-14-55-31(29-27(17)57-73-59-29)39-45(67-7)44(66-6)38(72-39)26-13-22(54)50(78-26)49-21(53)12-24(77-49)36-42(64-4)41(63-3)34(70-36)18-15-56-32(30-28(18)58-74-60-30)40-46(68-8)43(65-5)37(71-40)25-11-20(52)48(76-25)47-19(51)9-10-75-47/h9-16H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(ccs3)OC)OC)o1)OC)OC)c1c(c(c(o1)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(co5)OC)OC)non6)o4)OC)OC)cc3OC)c(c1)OC)OC)OC)[N]O[N]2	


key: CAN_SMILES
value:
  COc1c(oc(c1OC)c1cnc(c2c1[N]O[N]2)c1oc(c(c1OC)OC)c1sc(c(c1)OC)c1sccc1OC)c1sc(c(c1)OC)c1sc(cc1OC)c1oc(c(c1OC)OC)c1ncc(c2c1non2)c1occ(c1OC)OC	


key: InChI
value:
  InChI=1S/C54H44N6O18S4/c1-61-23-13-14-79-51(23)52-24(62-2)15-29(80-52)41-47(69-9)50(72-12)44(75-41)36-34-32(58-78-60-34)22(19-56-36)38-45(67-7)46(68-8)40(74-38)28-16-25(63-3)53(81-28)54-26(64-4)17-30(82-54)42-48(70-10)49(71-11)43(76-42)35-33-31(57-77-59-33)21(18-55-35)37-39(66-6)27(65-5)20-73-37/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(cc(s3)c3c(c(c(c4c5c(c(c6c(c(c(c7cc(c(s7)c7c(ccs7)C)C)o6)OC)OC)nc4)[N]O[N]5)o3)OC)OC)C)C)o1)OC)OC)c1c(c(co1)OC)OC)non2	


key: CAN_SMILES
value:
  COc1c(oc(c1OC)c1cnc(c2c1[N]O[N]2)c1oc(c(c1OC)OC)c1cc(c(s1)c1sccc1C)C)c1cc(c(s1)c1sc(cc1C)c1oc(c(c1OC)OC)c1ncc(c2c1non2)c1occ(c1OC)OC)C	


key: InChI
value:
  InChI=1S/C54H44N6O14S4/c1-21-13-14-75-51(21)52-22(2)15-29(76-52)41-47(65-9)50(68-12)44(71-41)36-34-32(58-74-60-34)26(19-56-36)38-45(63-7)46(64-8)40(70-38)28-16-23(3)53(77-28)54-24(4)17-30(78-54)42-48(66-10)49(67-11)43(72-42)35-33-31(57-73-59-33)25(18-55-35)37-39(62-6)27(61-5)20-69-37/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(ccn3C)C)n1C)C)OC)OC)c1c(c(c(s1)c1cc(c(c3c(cc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)OC)OC)nsn6)s4)OC)OC)n3C)C)n1C)C)OC)OC)nsn2	


key: CAN_SMILES
value:
  COc1c(OC)c(sc1c1cc(c(n1C)c1c(C)cc(n1C)c1sc(c(c1OC)OC)c1ncc(c2c1nsn2)c1scc(c1OC)OC)C)c1cnc(c2c1nsn2)c1sc(c(c1OC)OC)c1cc(c(n1C)c1c(C)ccn1C)C	


key: InChI
value:
  InChI=1S/C58H56N10O8S6/c1-25-17-18-65(5)41(25)42-26(2)19-32(66(42)6)55-48(73-13)50(75-15)58(79-55)40-38-36(62-82-64-38)30(23-60-40)53-46(71-11)47(72-12)54(78-53)31-20-27(3)43(67(31)7)44-28(4)21-33(68(44)8)56-49(74-14)51(76-16)57(80-56)39-37-35(61-81-63-37)29(22-59-39)52-45(70-10)34(69-9)24-77-52/h17-24H,1-16H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(s1)c1c(ccs1)C)C)OC)OC)c1c(c(c(s1)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)OC)OC)[n]s[n]6)s4)OC)OC)cc3C)c(c1)C)OC)OC)nsn2	


key: CAN_SMILES
value:
  COc1c(sc(c1OC)c1cnc(c2c1nsn2)c1sc(c(c1OC)OC)c1cc(c(s1)c1sccc1C)C)c1cc(c(s1)c1sc(cc1C)c1sc(c(c1OC)OC)c1ncc(c2c1[n]s[n]2)c1scc(c1OC)OC)C	


key: InChI
value:
  InChI=1S/C54H44N6O8S10/c1-21-13-14-69-44(21)45-22(2)15-29(71-45)51-40(65-9)42(67-11)54(75-51)36-34-32(58-78-60-34)26(19-56-36)49-38(63-7)39(64-8)50(74-49)28-16-23(3)46(72-28)47-24(4)17-30(73-47)52-41(66-10)43(68-12)53(76-52)35-33-31(57-77-59-33)25(18-55-35)48-37(62-6)27(61-5)20-70-48/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(cco3)F)o1)F)OC)OC)c1c(c(c(s1)c1cc(c(c3c(cc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)OC)OC)nsn6)s4)OC)OC)o3)F)o1)F)OC)OC)nsn2	


key: CAN_SMILES
value:
  COc1c(sc(c1OC)c1cnc(c2c1nsn2)c1sc(c(c1OC)OC)c1cc(c(o1)c1occc1F)F)c1cc(c(o1)c1oc(cc1F)c1sc(c(c1OC)OC)c1ncc(c2c1nsn2)c1scc(c1OC)OC)F	


key: InChI
value:
  InChI=1S/C50H32F4N6O12S6/c1-61-26-16-73-44(37(26)62-2)17-14-55-31(29-27(17)57-77-59-29)49-43(68-8)41(66-6)48(76-49)25-13-22(54)36(72-25)35-21(53)12-23(71-35)46-39(64-4)38(63-3)45(74-46)18-15-56-32(30-28(18)58-78-60-30)50-42(67-7)40(65-5)47(75-50)24-11-20(52)34(70-24)33-19(51)9-10-69-33/h9-16H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(ccs3)SC)SC)o1)OC)OC)c1c(c(c(o1)c1c(c(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(co5)OC)OC)[N]O[N]6)o4)OC)OC)cc3SC)sc1)SC)OC)OC)non2	


key: CAN_SMILES
value:
  CSc1c(csc1c1sc(cc1SC)c1oc(c(c1OC)OC)c1ncc(c2c1[N]O[N]2)c1occ(c1OC)OC)c1oc(c(c1OC)OC)c1cnc(c2c1non2)c1oc(c(c1OC)OC)c1cc(c(s1)c1sccc1SC)SC	


key: InChI
value:
  InChI=1S/C54H44N6O14S8/c1-61-24-19-69-36(39(24)62-2)21-17-55-34(32-30(21)57-73-59-32)42-48(67-7)47(66-6)41(72-42)27-16-29(77-11)53(82-27)54-50(78-12)23(20-80-54)38-45(64-4)44(63-3)37(70-38)22-18-56-35(33-31(22)58-74-60-33)43-49(68-8)46(65-5)40(71-43)26-15-28(76-10)52(81-26)51-25(75-9)13-14-79-51/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1ccc(c3cccn3C)n1C)OC)OC)c1c(c(c(s1)c1ccc(c3ccc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)OC)OC)nsn6)s4)OC)OC)n3C)n1C)OC)OC)nsn2	


key: CAN_SMILES
value:
  COc1c(OC)c(sc1c1ccc(n1C)c1ccc(n1C)c1sc(c(c1OC)OC)c1ncc(c2c1nsn2)c1scc(c1OC)OC)c1cnc(c2c1nsn2)c1sc(c(c1OC)OC)c1ccc(n1C)c1cccn1C	


key: InChI
value:
  InChI=1S/C54H48N10O8S6/c1-61-21-13-14-27(61)28-15-18-32(62(28)2)51-44(69-9)46(71-11)54(75-51)40-38-36(58-78-60-38)26(23-56-40)49-42(67-7)43(68-8)50(74-49)31-19-16-29(63(31)3)30-17-20-33(64(30)4)52-45(70-10)47(72-12)53(76-52)39-37-35(57-77-59-37)25(22-55-39)48-41(66-6)34(65-5)24-73-48/h13-24H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(s3)c3ccc(s3)c3c(c(c(c4c5c(c(c6c(c(c(c7ccc(s7)c7cccs7)o6)OC)OC)nc4)non5)o3)OC)OC)o1)OC)OC)c1c(c(co1)OC)OC)non2	


key: CAN_SMILES
value:
  COc1c(oc(c1OC)c1cnc(c2c1non2)c1oc(c(c1OC)OC)c1ccc(s1)c1cccs1)c1ccc(s1)c1ccc(s1)c1oc(c(c1OC)OC)c1ncc(c2c1non2)c1occ(c1OC)OC	


key: InChI
value:
  InChI=1S/C50H36N6O14S4/c1-57-23-20-65-37(39(23)58-2)21-18-51-35(33-31(21)53-69-55-33)43-49(63-7)48(62-6)42(68-43)30-16-13-27(74-30)26-12-15-28(73-26)40-46(60-4)45(59-3)38(66-40)22-19-52-36(34-32(22)54-70-56-34)44-50(64-8)47(61-5)41(67-44)29-14-11-25(72-29)24-10-9-17-71-24/h9-20H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(s1)c1c(ccs1)F)F)OC)OC)c1c(c(c(s1)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)OC)OC)[n]s[n]6)s4)OC)OC)cc3F)c(c1)F)OC)OC)nsn2	


key: CAN_SMILES
value:
  COc1c(sc(c1OC)c1cnc(c2c1nsn2)c1sc(c(c1OC)OC)c1cc(c(s1)c1sccc1F)F)c1cc(c(s1)c1sc(cc1F)c1sc(c(c1OC)OC)c1ncc(c2c1[n]s[n]2)c1scc(c1OC)OC)F	


key: InChI
value:
  InChI=1S/C50H32F4N6O8S10/c1-61-23-16-70-40(33(23)62-2)17-14-55-31(29-27(17)57-77-59-29)49-39(68-8)37(66-6)48(76-49)26-13-22(54)45(73-26)44-21(53)12-24(72-44)46-35(64-4)34(63-3)41(74-46)18-15-56-32(30-28(18)58-78-60-30)50-38(67-7)36(65-5)47(75-50)25-11-20(52)43(71-25)42-19(51)9-10-69-42/h9-16H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(ccn3C)F)n1C)F)OC)OC)c1c(c(c(s1)c1cc(c(c3c(cc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)OC)OC)nsn6)s4)OC)OC)n3C)F)n1C)F)OC)OC)nsn2	


key: CAN_SMILES
value:
  COc1c(OC)c(sc1c1cc(c(n1C)c1c(F)cc(n1C)c1sc(c(c1OC)OC)c1ncc(c2c1nsn2)c1scc(c1OC)OC)F)c1cnc(c2c1nsn2)c1sc(c(c1OC)OC)c1cc(c(n1C)c1c(F)ccn1C)F	


key: InChI
value:
  InChI=1S/C54H44F4N10O8S6/c1-65-14-13-23(55)37(65)38-24(56)15-28(66(38)2)51-44(73-9)46(75-11)54(79-51)36-34-32(62-82-64-34)22(19-60-36)49-42(71-7)43(72-8)50(78-49)27-16-25(57)39(67(27)3)40-26(58)17-29(68(40)4)52-45(74-10)47(76-12)53(80-52)35-33-31(61-81-63-33)21(18-59-35)48-41(70-6)30(69-5)20-77-48/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1ccc(s1)c1ccc(s1)c1c(c(c(c3c4c(c(c5c(c(c(s5)c5ccc(s5)c5cccs5)OC)OC)nc3)nsn4)s1)OC)OC)OC)OC)c1c(c(cs1)OC)OC)[n]s[n]2	


key: CAN_SMILES
value:
  COc1c(sc(c1OC)c1cnc(c2c1nsn2)c1sc(c(c1OC)OC)c1ccc(s1)c1cccs1)c1ccc(s1)c1ccc(s1)c1sc(c(c1OC)OC)c1ncc(c2c1[n]s[n]2)c1scc(c1OC)OC	


key: InChI
value:
  InChI=1S/C50H36N6O8S10/c1-57-23-20-66-44(37(23)58-2)21-18-51-35(33-31(21)53-73-55-33)49-43(64-8)41(62-6)48(72-49)30-16-13-27(69-30)26-12-15-28(68-26)46-39(60-4)38(59-3)45(70-46)22-19-52-36(34-32(22)54-74-56-34)50-42(63-7)40(61-5)47(71-50)29-14-11-25(67-29)24-10-9-17-65-24/h9-20H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(cc(n3C)c3c(c(c(c4c5c(c(c6c(c(c(s6)c6cc(c(c7c(ccn7C)OC)n6C)OC)OC)OC)nc4)nsn5)s3)OC)OC)OC)n1C)OC)OC)OC)c1c(c(cs1)OC)OC)nsn2	


key: CAN_SMILES
value:
  COc1c(OC)c(sc1c1cc(c(n1C)c1c(OC)cc(n1C)c1sc(c(c1OC)OC)c1ncc(c2c1nsn2)c1scc(c1OC)OC)OC)c1cnc(c2c1nsn2)c1sc(c(c1OC)OC)c1cc(c(n1C)c1c(OC)ccn1C)OC	


key: InChI
value:
  InChI=1S/C58H56N10O12S6/c1-65-18-17-30(69-5)41(65)42-31(70-6)19-28(66(42)2)55-48(77-13)50(79-15)58(83-55)40-38-36(62-86-64-38)26(23-60-40)53-46(75-11)47(76-12)54(82-53)27-20-32(71-7)43(67(27)3)44-33(72-8)21-29(68(44)4)56-49(78-14)51(80-16)57(84-56)39-37-35(61-85-63-37)25(22-59-39)52-45(74-10)34(73-9)24-81-52/h17-24H,1-16H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(s1)c1c(ccs1)OC)OC)OC)OC)c1c(c(c(s1)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)OC)OC)[n]s[n]6)s4)OC)OC)cc3OC)c(c1)OC)OC)OC)nsn2	


key: CAN_SMILES
value:
  COc1c(sc(c1OC)c1cnc(c2c1nsn2)c1sc(c(c1OC)OC)c1sc(c(c1)OC)c1sccc1OC)c1sc(c(c1)OC)c1sc(cc1OC)c1sc(c(c1OC)OC)c1ncc(c2c1[n]s[n]2)c1scc(c1OC)OC	


key: InChI
value:
  InChI=1S/C54H44N6O12S10/c1-61-23-13-14-73-46(23)47-24(62-2)15-29(75-47)51-40(69-9)42(71-11)54(79-51)36-34-32(58-82-60-34)22(19-56-36)45-38(67-7)39(68-8)50(78-45)28-16-25(63-3)48(76-28)49-26(64-4)17-30(77-49)52-41(70-10)43(72-12)53(80-52)35-33-31(57-81-59-33)21(18-55-35)44-37(66-6)27(65-5)20-74-44/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(cc(o3)c3c(c(c(c4c5c(c(c6c(c(c(s6)c6cc(c(c7c(cco7)SC)o6)SC)OC)OC)nc4)nsn5)s3)OC)OC)SC)o1)SC)OC)OC)c1c(c(cs1)OC)OC)nsn2	


key: CAN_SMILES
value:
  COc1c(sc(c1OC)c1cnc(c2c1nsn2)c1sc(c(c1OC)OC)c1cc(c(o1)c1occc1SC)SC)c1cc(c(o1)c1oc(cc1SC)c1sc(c(c1OC)OC)c1ncc(c2c1nsn2)c1scc(c1OC)OC)SC	


key: InChI
value:
  InChI=1S/C54H44N6O12S10/c1-61-26-20-77-48(37(26)62-2)21-18-55-35(33-31(21)57-81-59-33)53-47(68-8)45(66-6)52(80-53)25-17-30(76-12)41(72-25)40-29(75-11)16-23(71-40)50-43(64-4)42(63-3)49(78-50)22-19-56-36(34-32(22)58-82-60-34)54-46(67-7)44(65-5)51(79-54)24-15-28(74-10)39(70-24)38-27(73-9)13-14-69-38/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(s1)c1c(cc(s1)c1c(c(c(c3c4c(c(c5c(c(c(s5)c5cc(c(s5)c5c(ccs5)SC)SC)OC)OC)nc3)nsn4)s1)OC)OC)SC)SC)OC)OC)c1c(c(cs1)OC)OC)nsn2	


key: CAN_SMILES
value:
  COc1c(sc(c1OC)c1cnc(c2c1nsn2)c1sc(c(c1OC)OC)c1cc(c(s1)c1sccc1SC)SC)c1cc(c(s1)c1sc(cc1SC)c1sc(c(c1OC)OC)c1ncc(c2c1nsn2)c1scc(c1OC)OC)SC	


key: InChI
value:
  InChI=1S/C54H44N6O8S14/c1-61-23-20-74-44(37(23)62-2)21-18-55-35(33-31(21)57-81-59-33)53-43(68-8)41(66-6)48(80-53)30-17-27(72-12)52(77-30)51-26(71-11)16-28(76-51)46-39(64-4)38(63-3)45(78-46)22-19-56-36(34-32(22)58-82-60-34)54-42(67-7)40(65-5)47(79-54)29-15-25(70-10)50(75-29)49-24(69-9)13-14-73-49/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(cc(s3)c3c(c(c(c4c5c(c(c6c(c(c(c7cc(c(s7)c7c(ccs7)C)C)n6C)SC)SC)nc4)[N]N([N]5)C)n3C)SC)SC)C)C)n1C)SC)SC)c1c(c(cn1C)SC)SC)nn(n2)C	


key: CAN_SMILES
value:
  CSc1c(c2cc(c(s2)c2sc(cc2C)c2c(SC)c(c(n2C)c2ncc(c3c2nn(n3)C)c2n(C)cc(c2SC)SC)SC)C)n(c(c1SC)c1cnc(c2c1[N]N([N]2)C)c1c(SC)c(c(n1C)c1cc(c(s1)c1sccc1C)C)SC)C	


key: InChI
value:
  InChI=1S/C60H62N12S12/c1-27-19-20-81-50(27)51-28(2)21-34(82-51)46-57(77-15)60(80-18)49(69(46)7)42-40-38(64-72(10)66-40)32(25-62-42)44-55(75-13)56(76-14)45(68(44)6)33-22-29(3)52(83-33)53-30(4)23-35(84-53)47-58(78-16)59(79-17)48(70(47)8)41-39-37(63-71(9)65-39)31(24-61-41)43-54(74-12)36(73-11)26-67(43)5/h19-26H,1-18H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(cc(s3)c3c(c(c(c4c5c(c(c6c(c(c(c7cc(c(s7)c7c(ccs7)F)F)n6C)SC)SC)nc4)nn(n5)C)n3C)SC)SC)F)F)n1C)SC)SC)c1c(c(cn1C)SC)SC)nn(n2)C	


key: CAN_SMILES
value:
  CSc1c(c2cc(c(s2)c2sc(cc2F)c2c(SC)c(c(n2C)c2ncc(c3c2nn(n3)C)c2n(C)cc(c2SC)SC)SC)F)n(c(c1SC)c1cnc(c2c1nn(n2)C)c1c(SC)c(c(n1C)c1cc(c(s1)c1sccc1F)F)SC)C	


key: InChI
value:
  InChI=1S/C56H50F4N12S12/c1-67-22-32(73-7)50(74-8)39(67)23-20-61-37(35-33(23)63-71(5)65-35)44-55(79-13)54(78-12)43(70(44)4)31-19-28(60)49(84-31)48-27(59)18-29(83-48)41-52(76-10)51(75-9)40(68(41)2)24-21-62-38(36-34(24)64-72(6)66-36)45-56(80-14)53(77-11)42(69(45)3)30-17-26(58)47(82-30)46-25(57)15-16-81-46/h15-22H,1-14H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(c4ccco4)o3)n1C)SC)SC)c1c(c(c(n1C)c1ccc(c3ccc(c4c(c(c(c5c6c(c(cn5)c5c(c(cn5C)SC)SC)[N]N([N]6)C)n4C)SC)SC)o3)o1)SC)SC)nn(n2)C	


key: CAN_SMILES
value:
  CSc1c(c2ccc(o2)c2ccc(o2)c2c(SC)c(c(n2C)c2ncc(c3c2[N]N([N]3)C)c2n(C)cc(c2SC)SC)SC)n(c(c1SC)c1cnc(c2c1nn(n2)C)c1c(SC)c(c(n1C)c1ccc(o1)c1ccco1)SC)C	


key: InChI
value:
  InChI=1S/C56H54N12O4S8/c1-63-26-36(73-7)50(74-8)43(63)27-24-57-41(39-37(27)59-67(5)61-39)48-55(79-13)54(78-12)47(66(48)4)35-22-19-32(72-35)31-18-21-33(71-31)45-52(76-10)51(75-9)44(64(45)2)28-25-58-42(40-38(28)60-68(6)62-40)49-56(80-14)53(77-11)46(65(49)3)34-20-17-30(70-34)29-16-15-23-69-29/h15-26H,1-14H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(cc(s3)c3c(c(c(c4c5c(c(c6c(c(c(c7cc(c(s7)c7c(ccs7)OC)OC)n6C)SC)SC)nc4)nn(n5)C)n3C)SC)SC)OC)OC)n1C)SC)SC)c1c(c(cn1C)SC)SC)nn(n2)C	


key: CAN_SMILES
value:
  COc1cc(sc1c1sc(cc1OC)c1n(C)c(c(c1SC)SC)c1ncc(c2c1nn(n2)C)c1n(C)cc(c1SC)SC)c1n(C)c(c(c1SC)SC)c1cnc(c2c1nn(n2)C)c1n(C)c(c(c1SC)SC)c1cc(c(s1)c1sccc1OC)OC	


key: InChI
value:
  InChI=1S/C60H62N12O4S12/c1-67-26-36(77-11)54(78-12)43(67)27-24-61-41(39-37(27)63-71(5)65-39)48-59(83-17)58(82-16)47(70(48)4)35-23-32(76-10)53(88-35)52-31(75-9)22-33(87-52)45-56(80-14)55(79-13)44(68(45)2)28-25-62-42(40-38(28)64-72(6)66-40)49-60(84-18)57(81-15)46(69(49)3)34-21-30(74-8)51(86-34)50-29(73-7)19-20-85-50/h19-26H,1-18H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(cc(s3)c3c(c(c(c4c5c(c(c6c(c(c(c7cc(c(s7)c7c(ccs7)SC)SC)n6C)SC)SC)nc4)nn(n5)C)n3C)SC)SC)SC)SC)n1C)SC)SC)c1c(c(cn1C)SC)SC)nn(n2)C	


key: CAN_SMILES
value:
  CSc1cc(sc1c1sc(cc1SC)c1c(SC)c(c(n1C)c1ncc(c2c1nn(n2)C)c1n(C)cc(c1SC)SC)SC)c1c(SC)c(c(n1C)c1cnc(c2c1nn(n2)C)c1c(SC)c(c(n1C)c1sc(c(c1)SC)c1sccc1SC)SC)SC	


key: InChI
value:
  InChI=1S/C60H62N12S16/c1-67-26-36(77-11)50(78-12)43(67)27-24-61-41(39-37(27)63-71(5)65-39)48-59(83-17)58(82-16)47(70(48)4)32-23-35(76-10)54(88-32)53-34(75-9)22-30(87-53)45-56(80-14)55(79-13)44(68(45)2)28-25-62-42(40-38(28)64-72(6)66-40)49-60(84-18)57(81-15)46(69(49)3)31-21-33(74-8)52(86-31)51-29(73-7)19-20-85-51/h19-26H,1-18H3


