EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(cnn2CCCN(C(=O)OC(C)(C)C)c2ccccn2)c1)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCNC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)[C@@H](N)CCC(=O)OC(C)(C)C)cc1C
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Branch1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][P][C][=N][N][Ring1][Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch2][Branch1][O][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring2][O][C]
InChI: InChI=1S/C57H82N10O15S/c1-36-31-40(79-30-15-18-46(68)60-26-27-61-52(73)42(21-24-48(70)81-56(6,7)8)64-51(72)41(58)20-23-47(69)80-55(3,4)5)32-37(2)49(36)83(76,77)65-43(53(74)78-12)35-62-50(71)38-19-22-44-39(33-38)34-63-67(44)29-16-28-66(45-17-13-14-25-59-45)54(75)82-57(9,10)11/h13-14,17,19,22,25,31-34,41-43,65H,15-16,18,20-21,23-24,26-30,35,58H2,1-12H3,(H,60,68)(H,61,73)(H,62,71)(H,64,72)/t41-,42?,43-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2ccccn2)c1)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCNC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)CN2CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC2)cc1C
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][Ring1][Branch1][C][C][C][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch2][=Branch2][#C][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring2][Ring2][C][=C][Ring2][#Branch1][C][C]
InChI: InChI=1S/C80H124N14O20S/c1-54-45-58(46-55(2)71(54)115(106,107)89-61(75(105)108-18)49-85-72(102)56-25-28-62-57(47-56)48-86-94(62)35-22-32-82-63-23-19-20-31-81-63)109-44-21-24-64(95)83-33-34-84-73(103)59(26-29-66(97)110-76(3,4)5)88-74(104)60(27-30-67(98)111-77(6,7)8)87-65(96)50-90-36-38-91(51-68(99)112-78(9,10)11)40-42-93(53-70(101)114-80(15,16)17)43-41-92(39-37-90)52-69(100)113-79(12,13)14/h19-20,23,25,28,31,45-48,59-61,89H,21-22,24,26-27,29-30,32-44,49-53H2,1-18H3,(H,81,82)(H,83,95)(H,84,103)(H,85,102)(H,87,96)(H,88,104)/t59?,60-,61-/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)Oc1c(F)c(F)cc(F)c1F
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][=Branch2][F]
InChI: InChI=1S/C32H38F4N2O9/c1-31(2,3)46-23(39)14-12-21(38-30(43)44-17-18-10-8-7-9-11-18)28(41)37-22(13-15-24(40)47-32(4,5)6)29(42)45-27-25(35)19(33)16-20(34)26(27)36/h7-11,16,21-22H,12-15,17H2,1-6H3,(H,37,41)(H,38,43)/t21-,22-/m0/s1
SMILES: Cc1cc(OCCCC(=O)NCCNC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)c1ccc2c(cnn2CCCNc2ncc[nH]2)c1)C(=O)O
SELFIES: [C][C][=C][C][Branch2][=Branch1][=Branch2][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][C][C][=C][Ring2][Branch1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][=C][NH1][Ring1][Branch1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C57H77N11O15S/c1-36-30-41(31-37(2)49(36)84(78,79)67-44(53(75)76)34-63-50(72)39-17-20-45-40(32-39)33-64-68(45)28-13-23-60-54-61-26-27-62-54)80-29-12-16-46(69)58-24-25-59-51(73)42(18-21-47(70)82-56(3,4)5)65-52(74)43(19-22-48(71)83-57(6,7)8)66-55(77)81-35-38-14-10-9-11-15-38/h9-11,14-15,17,20,26-27,30-33,42-44,67H,12-13,16,18-19,21-25,28-29,34-35H2,1-8H3,(H,58,69)(H,59,73)(H,63,72)(H,65,74)(H,66,77)(H,75,76)(H2,60,61,62)/t42?,43-,44-/m0/s1
SMILES: Cc1cc(OCCCC(=O)NCCNC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)[C@@H](N)CCC(=O)OC(C)(C)C)cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)c1ccc2c(cnn2CCCNc2ncc[nH]2)c1)C(=O)O
SELFIES: [C][C][=C][C][Branch2][Branch1][O][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Ring2][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][=C][NH1][Ring1][Branch1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C49H71N11O13S/c1-30-25-34(71-24-9-11-39(61)51-19-20-52-45(66)36(14-17-41(63)73-49(6,7)8)58-44(65)35(50)13-16-40(62)72-48(3,4)5)26-31(2)42(30)74(69,70)59-37(46(67)68)29-56-43(64)32-12-15-38-33(27-32)28-57-60(38)23-10-18-53-47-54-21-22-55-47/h12,15,21-22,25-28,35-37,59H,9-11,13-14,16-20,23-24,29,50H2,1-8H3,(H,51,61)(H,52,66)(H,56,64)(H,58,65)(H,67,68)(H2,53,54,55)/t35-,36?,37-/m0/s1
SMILES: Cc1cc(OCCCC(=O)NCCNC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)CN2CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC2)cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)c1ccc2c(cnn2CCCNc2ncc[nH]2)c1)C(=O)O
SELFIES: [C][C][=C][C][Branch2][=Branch2][#C][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring2][Ring2][=C][C][Branch1][C][C][=C][Ring2][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][=C][NH1][Ring1][Branch1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C77H121N15O20S/c1-51-42-55(43-52(2)67(51)113(105,106)87-58(71(103)104)46-83-68(100)53-21-24-59-54(44-53)45-84-92(59)32-19-27-80-72-81-30-31-82-72)107-41-18-20-60(93)78-28-29-79-69(101)56(22-25-62(95)108-73(3,4)5)86-70(102)57(23-26-63(96)109-74(6,7)8)85-61(94)47-88-33-35-89(48-64(97)110-75(9,10)11)37-39-91(50-66(99)112-77(15,16)17)40-38-90(36-34-88)49-65(98)111-76(12,13)14/h21,24,30-31,42-45,56-58,87H,18-20,22-23,25-29,32-41,46-50H2,1-17H3,(H,78,93)(H,79,101)(H,83,100)(H,85,94)(H,86,102)(H,103,104)(H2,80,81,82)/t56?,57-,58-/m0/s1
SMILES: Cc1cc(OCCCC(=O)NCCNC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)NCCNC(=O)CCCOc2cc(C)c(S(=O)(=O)N[C@H](CNC(=O)c3ccc4c(cnn4CCCNc4ncc[nH]4)c3)C(=O)O)c(C)c2)cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)c1ccc2c(cnn2CCCNc2ncc[nH]2)c1)C(=O)O
SELFIES: [C][C][=C][C][Branch2][=Branch2][Branch2][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][=C][NH1][Ring1][Branch1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring2][Ring2][=Branch1][=C][C][Branch1][C][C][=C][Ring2][=Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][=C][NH1][Ring1][Branch1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C72H95N19O18S2/c1-44-34-52(35-45(2)62(44)110(103,104)88-55(67(98)99)42-83-64(95)48-14-17-57-50(38-48)40-85-90(57)30-10-20-77-69-79-26-27-80-69)107-32-8-12-59(92)73-22-23-75-61(94)19-16-54(87-71(102)109-72(5,6)7)66(97)76-25-24-74-60(93)13-9-33-108-53-36-46(3)63(47(4)37-53)111(105,106)89-56(68(100)101)43-84-65(96)49-15-18-58-51(39-49)41-86-91(58)31-11-21-78-70-81-28-29-82-70/h14-15,17-18,26-29,34-41,54-56,88-89H,8-13,16,19-25,30-33,42-43H2,1-7H3,(H,73,92)(H,74,93)(H,75,94)(H,76,97)(H,83,95)(H,84,96)(H,87,102)(H,98,99)(H,100,101)(H2,77,79,80)(H2,78,81,82)/t54?,55-,56+/m0/s1
SMILES: Cc1cc(OCCCC(=O)NCCNC(=O)CCC(NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@@H](CCC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)C(=O)NCCNC(=O)CCCOc2cc(C)c(S(=O)(=O)N[C@H](CNC(=O)c3ccc4c(cnn4CCCNc4ncc[nH]4)c3)C(=O)O)c(C)c2)cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)c1ccc2c(cnn2CCCNc2ncc[nH]2)c1)C(=O)O
SELFIES: [C][C][=C][C][Branch2][N][Branch2][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][Branch2][Branch1][=C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][=C][NH1][Ring1][Branch1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring2][Ring2][=Branch1][=C][C][Branch1][C][C][=C][Ring2][Branch2][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][=C][NH1][Ring1][Branch1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C93H123N21O24S2/c1-57-46-66(47-58(2)80(57)139(130,131)111-71(87(125)126)54-104-82(120)62-22-27-73-64(50-62)52-106-113(73)42-16-32-98-89-100-38-39-101-89)134-44-14-20-75(115)94-34-35-96-77(117)29-24-68(108-85(123)69(25-30-78(118)137-92(5,6)7)109-86(124)70(26-31-79(119)138-93(8,9)10)110-91(129)136-56-61-18-12-11-13-19-61)84(122)97-37-36-95-76(116)21-15-45-135-67-48-59(3)81(60(4)49-67)140(132,133)112-72(88(127)128)55-105-83(121)63-23-28-74-65(51-63)53-107-114(74)43-17-33-99-90-102-40-41-103-90/h11-13,18-19,22-23,27-28,38-41,46-53,68-72,111-112H,14-17,20-21,24-26,29-37,42-45,54-56H2,1-10H3,(H,94,115)(H,95,116)(H,96,117)(H,97,122)(H,104,120)(H,105,121)(H,108,123)(H,109,124)(H,110,129)(H,125,126)(H,127,128)(H2,98,100,101)(H2,99,102,103)/t68?,69-,70+,71-,72+/m0/s1
SMILES: Cc1cc(OCCCC(=O)NCCNC(=O)CCC(NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCCCCNC(=O)OC(C)(C)C)C(=O)NCCNC(=O)CCCOc2cc(C)c(S(=O)(=O)N[C@H](CNC(=O)c3ccc4c(cnn4CCCNc4ncc[nH]4)c3)C(=O)O)c(C)c2)cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)c1ccc2c(cnn2CCCNc2ncc[nH]2)c1)C(=O)O
SELFIES: [C][C][=C][C][Branch2][O][P][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][Branch2][Branch1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][=C][NH1][Ring1][Branch1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring2][Ring2][=Branch1][=C][C][Branch1][C][C][=C][Ring2][Branch2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][=C][NH1][Ring1][Branch1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C88H120N22O25S2/c1-53-43-61(44-54(2)76(53)136(129,130)107-66(83(124)125)51-100-78(119)57-18-23-68-59(47-57)49-102-109(68)39-13-29-93-85-95-35-36-96-85)133-41-11-16-70(111)89-31-32-91-72(113)25-20-63(105-82(123)65(22-27-75(117)118)106-81(122)64(21-26-74(115)116)104-73(114)15-9-8-10-28-99-87(128)135-88(5,6)7)80(121)92-34-33-90-71(112)17-12-42-134-62-45-55(3)77(56(4)46-62)137(131,132)108-67(84(126)127)52-101-79(120)58-19-24-69-60(48-58)50-103-110(69)40-14-30-94-86-97-37-38-98-86/h18-19,23-24,35-38,43-50,63-67,107-108H,8-17,20-22,25-34,39-42,51-52H2,1-7H3,(H,89,111)(H,90,112)(H,91,113)(H,92,121)(H,99,128)(H,100,119)(H,101,120)(H,104,114)(H,105,123)(H,106,122)(H,115,116)(H,117,118)(H,124,125)(H,126,127)(H2,93,95,96)(H2,94,97,98)/t63?,64-,65+,66+,67-/m1/s1
SMILES: Cc1cc(OCCCC(=O)NCCNC(=O)CCC(NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCCCCN)C(=O)NCCNC(=O)CCCOc2cc(C)c(S(=O)(=O)N[C@H](CNC(=O)c3ccc4c(cnn4CCCNc4ncc[nH]4)c3)C(=O)O)c(C)c2)cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)c1ccc2c(cnn2CCCNc2ncc[nH]2)c1)C(=O)O
SELFIES: [C][C][=C][C][Branch2][O][Ring2][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][=C][NH1][Ring1][Branch1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring2][Ring2][=Branch1][=C][C][Branch1][C][C][=C][Ring2][Branch2][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][=C][NH1][Ring1][Branch1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C83H112N22O23S2/c1-50-40-58(41-51(2)73(50)129(123,124)102-63(80(119)120)48-95-75(114)54-15-20-65-56(44-54)46-97-104(65)36-10-26-89-82-91-32-33-92-82)127-38-8-13-67(106)85-28-29-87-69(108)22-17-60(100-79(118)62(19-24-72(112)113)101-78(117)61(18-23-71(110)111)99-70(109)12-6-5-7-25-84)77(116)88-31-30-86-68(107)14-9-39-128-59-42-52(3)74(53(4)43-59)130(125,126)103-64(81(121)122)49-96-76(115)55-16-21-66-57(45-55)47-98-105(66)37-11-27-90-83-93-34-35-94-83/h15-16,20-21,32-35,40-47,60-64,102-103H,5-14,17-19,22-31,36-39,48-49,84H2,1-4H3,(H,85,106)(H,86,107)(H,87,108)(H,88,116)(H,95,114)(H,96,115)(H,99,109)(H,100,118)(H,101,117)(H,110,111)(H,112,113)(H,119,120)(H,121,122)(H2,89,91,92)(H2,90,93,94)/t60?,61-,62+,63+,64-/m1/s1
SMILES: CC(C)(C)OC(=O)CN1CCN(CC(=O)Oc2c(F)c(F)cc(F)c2F)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][=Branch2][F][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring2][#Branch2]
InChI: InChI=1S/C34H52F4N4O8/c1-32(2,3)48-26(44)20-40-12-10-39(19-25(43)47-31-29(37)23(35)18-24(36)30(31)38)11-13-41(21-27(45)49-33(4,5)6)15-17-42(16-14-40)22-28(46)50-34(7,8)9/h18H,10-17,19-22H2,1-9H3
SMILES: CCOC(=O)c1ccc2c(cnn2CCCNc2ccccn2)c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][Ring1][Branch1][C][C][C][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C18H20N4O2/c1-2-24-18(23)14-7-8-16-15(12-14)13-21-22(16)11-5-10-20-17-6-3-4-9-19-17/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,19,20)
SMILES: O=C(O)c1ccc2c(cnn2CCCNc2ncccn2)c1
SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C15H15N5O2/c21-14(22)11-3-4-13-12(9-11)10-19-20(13)8-2-7-18-15-16-5-1-6-17-15/h1,3-6,9-10H,2,7-8H2,(H,21,22)(H,16,17,18)
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2ncccn2)c1)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCNC(=O)OCc2ccccc2)cc1C
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch2][Ring1][O][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][O][C]
InChI: InChI=1S/C41H49N9O9S/c1-28-22-33(58-21-7-12-36(51)42-18-19-46-41(54)59-27-30-10-5-4-6-11-30)23-29(2)37(28)60(55,56)49-34(39(53)57-3)26-47-38(52)31-13-14-35-32(24-31)25-48-50(35)20-9-17-45-40-43-15-8-16-44-40/h4-6,8,10-11,13-16,22-25,34,49H,7,9,12,17-21,26-27H2,1-3H3,(H,42,51)(H,46,54)(H,47,52)(H,43,44,45)/t34-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(cnn2CCCNC2=CCCCN2)c1)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCN)cc1C
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][Ring1][Branch1][C][C][C][N][C][=C][C][C][C][N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][=N][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=C][Ring1][P][C]
InChI: InChI=1S/C34H48N8O7S/c1-23-18-27(49-17-6-9-31(43)38-15-12-35)19-24(2)32(23)50(46,47)41-28(34(45)48-3)22-39-33(44)25-10-11-29-26(20-25)21-40-42(29)16-7-14-37-30-8-4-5-13-36-30/h8,10-11,18-21,28,36-37,41H,4-7,9,12-17,22,35H2,1-3H3,(H,38,43)(H,39,44)/t28-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(cnn2CCCNC2=NCCCN2)c1)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCNC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc1C
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][C][C][N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch2][Branch1][C][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Branch2][C]
InChI: InChI=1S/C50H68N10O12S/c1-33-27-38(70-26-10-15-42(61)51-23-24-52-46(64)39(17-19-43(62)72-50(3,4)5)58-49(66)71-32-35-13-8-7-9-14-35)28-34(2)44(33)73(67,68)59-40(47(65)69-6)31-56-45(63)36-16-18-41-37(29-36)30-57-60(41)25-12-22-55-48-53-20-11-21-54-48/h7-9,13-14,16,18,27-30,39-40,59H,10-12,15,17,19-26,31-32H2,1-6H3,(H,51,61)(H,52,64)(H,56,63)(H,58,66)(H2,53,54,55)/t39?,40-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(cnn2CCCNC2=NCCCN2)c1)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCNC(=O)C(N)CCC(=O)OC(C)(C)C)cc1C
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][C][C][N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch2][Ring2][Ring2][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=C][C]
InChI: InChI=1S/C42H62N10O10S/c1-27-22-31(61-21-7-10-35(53)44-18-19-45-39(56)32(43)12-14-36(54)62-42(3,4)5)23-28(2)37(27)63(58,59)51-33(40(57)60-6)26-49-38(55)29-11-13-34-30(24-29)25-50-52(34)20-9-17-48-41-46-15-8-16-47-41/h11,13,22-25,32-33,51H,7-10,12,14-21,26,43H2,1-6H3,(H,44,53)(H,45,56)(H,49,55)(H2,46,47,48)/t32?,33-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(cnn2CCCNC2=NCCCN2)c1)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCNC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc1C
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][C][C][N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch2][=Branch1][=Branch2][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Branch1][Branch1][C]
InChI: InChI=1S/C59H83N11O15S/c1-38-32-43(33-39(2)51(38)86(79,80)69-46(55(77)81-9)36-65-52(74)41-19-22-47-42(34-41)35-66-70(47)30-15-27-64-56-62-25-14-26-63-56)82-31-13-18-48(71)60-28-29-61-53(75)44(20-23-49(72)84-58(3,4)5)67-54(76)45(21-24-50(73)85-59(6,7)8)68-57(78)83-37-40-16-11-10-12-17-40/h10-12,16-17,19,22,32-35,44-46,69H,13-15,18,20-21,23-31,36-37H2,1-9H3,(H,60,71)(H,61,75)(H,65,74)(H,67,76)(H,68,78)(H2,62,63,64)/t44?,45-,46-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(cnn2CCCNC2=NCCCN2)c1)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCNC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)[C@@H](N)CCC(=O)OC(C)(C)C)cc1C
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][C][C][N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch2][Branch1][O][O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring2][O][C]
InChI: InChI=1S/C51H77N11O13S/c1-32-27-36(73-26-10-13-41(63)53-23-24-54-47(68)38(16-19-43(65)75-51(6,7)8)60-46(67)37(52)15-18-42(64)74-50(3,4)5)28-33(2)44(32)76(70,71)61-39(48(69)72-9)31-58-45(66)34-14-17-40-35(29-34)30-59-62(40)25-12-22-57-49-55-20-11-21-56-49/h14,17,27-30,37-39,61H,10-13,15-16,18-26,31,52H2,1-9H3,(H,53,63)(H,54,68)(H,58,66)(H,60,67)(H2,55,56,57)/t37-,38?,39-/m0/s1