EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(cnn2CCCNC2=NCCCN2)c1)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)CN3CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC3)cc2)cc1
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][C][=C][Branch2][#Branch2][#Branch2][C][=C][C][=C][Branch2][=Branch2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][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@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][=C][Ring2][#Branch1][Ring2]
InChI: InChI=1S/C79H121N15O20S2/c1-75(2,3)110-65(96)31-28-60(88-72(103)61(29-32-66(97)111-76(4,5)6)87-64(95)50-90-39-41-91(51-67(98)112-77(7,8)9)43-45-93(53-69(100)114-79(13,14)15)46-44-92(42-40-90)52-68(99)113-78(10,11)12)71(102)80-36-37-86-115(105,106)58-24-19-54(20-25-58)55-21-26-59(27-22-55)116(107,108)89-62(73(104)109-16)49-84-70(101)56-23-30-63-57(47-56)48-85-94(63)38-18-35-83-74-81-33-17-34-82-74/h19-27,30,47-48,60-62,86,89H,17-18,28-29,31-46,49-53H2,1-16H3,(H,80,102)(H,84,101)(H,87,95)(H,88,103)(H2,81,82,83)/t60-,61-,62-/m0/s1
SMILES: COC(=O)c1ccc2c(C=O)nn(C)c2c1
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][=O][=N][N][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][N]
InChI: InChI=1S/C11H10N2O3/c1-13-10-5-7(11(15)16-2)3-4-8(10)9(6-14)12-13/h3-6H,1-2H3
SMILES: COC(=O)c1ccc2c(CNc3nccn3C(c3ccccc3)(c3ccccc3)c3ccccc3)nn(C)c2c1
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][N][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Branch1][C][C][C][Ring2][Ring1][S][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C33H29N5O2/c1-37-30-22-24(31(39)40-2)18-19-28(30)29(36-37)23-35-32-34-20-21-38(32)33(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-22H,23H2,1-2H3,(H,34,35)
SMILES: Cn1nc(CNc2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(C(=O)O)cc21
SELFIES: [C][N][N][=C][Branch2][Ring2][#Branch1][C][N][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C32H27N5O2/c1-36-29-21-23(30(38)39)17-18-27(29)28(35-36)22-34-31-33-19-20-37(31)32(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-21H,22H2,1H3,(H,33,34)(H,38,39)
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(CNc3nccn3C(c3ccccc3)(c3ccccc3)c3ccccc3)nn(C)c2c1)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCNC(=O)OCc3ccccc3)cc2)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][N][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Branch1][C][C][C][Ring2][Ring1][S][=C][Ring2][Ring2][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=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][#Branch1][C][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C58H55N9O9S2/c1-66-53-37-44(27-32-50(53)51(64-66)38-62-56-59-35-36-67(56)58(45-17-9-4-10-18-45,46-19-11-5-12-20-46)47-21-13-6-14-22-47)54(68)61-39-52(55(69)75-2)65-78(73,74)49-30-25-43(26-31-49)42-23-28-48(29-24-42)77(71,72)63-34-33-60-57(70)76-40-41-15-7-3-8-16-41/h3-32,35-37,52,63,65H,33-34,38-40H2,1-2H3,(H,59,62)(H,60,70)(H,61,68)/t52-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(CNc3nccn3C(c3ccccc3)(c3ccccc3)c3ccccc3)nn(C)c2c1)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCN)cc2)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][N][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Branch1][C][C][C][Ring2][Ring1][S][=C][Ring2][Ring2][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C50H49N9O7S2/c1-58-46-32-37(47(60)53-34-45(48(61)66-2)57-68(64,65)42-25-20-36(21-26-42)35-18-23-41(24-19-35)67(62,63)55-29-28-51)22-27-43(46)44(56-58)33-54-49-52-30-31-59(49)50(38-12-6-3-7-13-38,39-14-8-4-9-15-39)40-16-10-5-11-17-40/h3-27,30-32,45,55,57H,28-29,33-34,51H2,1-2H3,(H,52,54)(H,53,60)/t45-/m0/s1
SMILES: COC(=O)[C@H](CNC(=O)c1ccc2c(CNc3nccn3C(c3ccccc3)(c3ccccc3)c3ccccc3)nn(C)c2c1)NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCNC(=O)CN3CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC3)cc2)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch2][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][N][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Branch1][C][C][C][Ring2][Ring1][S][=C][Ring2][Ring2][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][#Branch1][N][C][=C][C][=C][Branch2][=Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][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][Ring2][C][=C][Ring2][Branch1][#Branch2]
InChI: InChI=1S/C78H99N13O14S2/c1-75(2,3)103-69(93)53-88-43-41-87(42-44-89(54-70(94)104-76(4,5)6)46-48-90(47-45-88)55-71(95)105-77(7,8)9)52-68(92)79-37-38-83-106(98,99)62-32-27-56(28-33-62)57-29-34-63(35-30-57)107(100,101)85-66(73(97)102-11)51-81-72(96)58-31-36-64-65(84-86(10)67(64)49-58)50-82-74-80-39-40-91(74)78(59-21-15-12-16-22-59,60-23-17-13-18-24-60)61-25-19-14-20-26-61/h12-36,39-40,49,66,83,85H,37-38,41-48,50-55H2,1-11H3,(H,79,92)(H,80,82)(H,81,96)/t66-/m0/s1
SMILES: Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)c2cc(OCCCNC(=O)c3ccc(N/N=C/c4ccccc4S(=O)(=O)O)nc3)c3c(cnn3CCCNc3ncc[nH]3)c2)C(=O)O)c(C)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch2][#Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch2][=Branch1][=N][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][=Branch2][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O][N][=C][Ring2][Ring1][Ring1][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][=C][NH1][Ring1][Branch1][=C][Ring2][Ring2][N][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring2][Branch1][S]
InChI: InChI=1S/C42H47N11O10S2/c1-26-18-27(2)38(28(3)19-26)64(58,59)52-33(41(56)57)25-48-40(55)31-20-32-24-50-53(16-6-12-44-42-45-14-15-46-42)37(32)34(21-31)63-17-7-13-43-39(54)30-10-11-36(47-22-30)51-49-23-29-8-4-5-9-35(29)65(60,61)62/h4-5,8-11,14-15,18-24,33,52H,6-7,12-13,16-17,25H2,1-3H3,(H,43,54)(H,47,51)(H,48,55)(H,56,57)(H2,44,45,46)(H,60,61,62)/b49-23+
SMILES: Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)c2cc(OCCCN)c3c(cnn3CCCNc3ncc[nH]3)c2)C(=O)O)c(C)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][O][C][C][C][N][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][=C][NH1][Ring1][Branch1][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring2][Ring2][O]
InChI: InChI=1S/C29H38N8O6S/c1-18-12-19(2)26(20(3)13-18)44(41,42)36-23(28(39)40)17-34-27(38)21-14-22-16-35-37(10-5-7-31-29-32-8-9-33-29)25(22)24(15-21)43-11-4-6-30/h8-9,12-16,23,36H,4-7,10-11,17,30H2,1-3H3,(H,34,38)(H,39,40)(H2,31,32,33)
SMILES: Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)c2cc(OCCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)c3c(cnn3CCCNc3ncc[nH]3)c2)C(=O)O)c(C)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch2][Branch2][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch2][#Branch1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Branch1][C][O][C][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][Branch2][=C][C][Branch1][P][C][=N][N][Ring1][Branch1][C][C][C][N][C][=N][C][=C][NH1][Ring1][Branch1][=C][Ring2][Branch1][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring2][=Branch1][=Branch1]
InChI: InChI=1S/C45H64N12O13S/c1-30-20-31(2)42(32(3)21-30)71(68,69)52-35(44(66)67)25-50-43(65)33-22-34-24-51-57(10-4-6-47-45-48-8-9-49-45)41(34)36(23-33)70-19-5-7-46-37(58)26-53-11-13-54(27-38(59)60)15-17-56(29-40(63)64)18-16-55(14-12-53)28-39(61)62/h8-9,20-24,35,52H,4-7,10-19,25-29H2,1-3H3,(H,46,58)(H,50,65)(H,59,60)(H,61,62)(H,63,64)(H,66,67)(H2,47,48,49)
SMILES: C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C\[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C
SELFIES: [C][=C][/C][=C][\C@H1][Branch1][C][C][C@@H1][O][C][=Branch1][C][=O][/C][=C][\C][=C][\C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][C@H1][Branch1][C][O][/C][=C][\C@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][#C][C]
InChI: InChI=1S/C32H52O6/c1-8-9-12-24(5)32-26(7)28(34)18-15-21(2)19-25(6)31(37)23(4)16-17-27(33)20-29(35)22(3)13-10-11-14-30(36)38-32/h8-14,16-17,21-29,31-35,37H,1,15,18-20H2,2-7H3/b12-9-,13-10+,14-11-,17-16-/t21-,22+,23-,24-,25-,26-,27+,28+,29-,31-,32-/m0/s1
SMILES: CCCCCc1cc(OC(=O)Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=CC21
SELFIES: [C][C][C][C][C][C][=C][C][Branch2][Ring1][=N][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][=C][C][=Branch1][Branch1][=C][Ring2][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C@@H1][C][C][C][Branch1][C][C][=C][C][Ring1][=C][Ring1][#Branch1]
InChI: InChI=1S/C28H33N3O7/c1-5-6-7-8-18-12-24(26-22-11-17(2)9-10-23(22)28(3,4)38-25(26)13-18)37-27(32)29-19-14-20(30(33)34)16-21(15-19)31(35)36/h11-16,22-23H,5-10H2,1-4H3,(H,29,32)/t22?,23-/m1/s1
SMILES: Cc1cc(C(=O)c2ccc(O)c(C)c2)ccc1O
SELFIES: [C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][=C][C][=C][Ring1][S][O]
InChI: InChI=1S/C15H14O3/c1-9-7-11(3-5-13(9)16)15(18)12-4-6-14(17)10(2)8-12/h3-8,16-17H,1-2H3
SMILES: Oc1ccc(C(c2ccc(O)c(CN3CCOCC3)c2)c2ccc(O)c(CN3CCOCC3)c2)cc1CN1CCOCC1
SELFIES: [O][C][=C][C][=C][Branch2][Ring2][P][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=C][C][=C][Ring2][Ring2][Ring1][C][N][C][C][O][C][C][Ring1][=Branch1]
InChI: InChI=1S/C34H43N3O6/c38-31-4-1-25(19-28(31)22-35-7-13-41-14-8-35)34(26-2-5-32(39)29(20-26)23-36-9-15-42-16-10-36)27-3-6-33(40)30(21-27)24-37-11-17-43-18-12-37/h1-6,19-21,34,38-40H,7-18,22-24H2
SMILES: Cc1cc(C(c2ccc(O)c(C)c2)c2ccc(O)c(C)c2)ccc1O
SELFIES: [C][C][=C][C][Branch2][Ring1][S][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][=C][C][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C22H22O3/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18/h4-12,22-25H,1-3H3
SMILES: Cc1cccc(C(F)(F)F)c1
SELFIES: [C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
InChI: InChI=1S/C8H7F3/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H3
SMILES: Cc1cccc(C(=O)O)c1
SELFIES: [C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2]
InChI: InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
SMILES: CC(=O)OCCN1CCCC1=O
SELFIES: [C][C][=Branch1][C][=O][O][C][C][N][C][C][C][C][Ring1][Branch1][=O]
InChI: InChI=1S/C8H13NO3/c1-7(10)12-6-5-9-4-2-3-8(9)11/h2-6H2,1H3
SMILES: CC(=O)NCc1ccccc1
SELFIES: [C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C9H11NO/c1-8(11)10-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,10,11)
SMILES: CC(=O)[C@@H]1CC(=O)NC(=O)N1
SELFIES: [C][C][=Branch1][C][=O][C@@H1][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Ring1][Branch2]
InChI: InChI=1S/C6H8N2O3/c1-3(9)4-2-5(10)8-6(11)7-4/h4H,2H2,1H3,(H2,7,8,10,11)/t4-/m0/s1
SMILES: CC(=O)C(=O)NC(C)(C)C
SELFIES: [C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C7H13NO2/c1-5(9)6(10)8-7(2,3)4/h1-4H3,(H,8,10)
SMILES: CC(=O)c1cc(C(C)(C)C)nn1Cc1ccccc1
SELFIES: [C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C16H20N2O/c1-12(19)14-10-15(16(2,3)4)17-18(14)11-13-8-6-5-7-9-13/h5-10H,11H2,1-4H3
SMILES: CC(=O)O[C@@H](C)c1ccccc1
SELFIES: [C][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3/t8-/m0/s1
SMILES: CC(=O)COc1ccccc1
SELFIES: [C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3
SMILES: CC(=O)O[C@H](C)c1ccccc1
SELFIES: [C][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3/t8-/m1/s1
SMILES: CC(=O)C(NC(N)=O)NC(N)=O
SELFIES: [C][C][=Branch1][C][=O][C][Branch1][#Branch1][N][C][Branch1][C][N][=O][N][C][Branch1][C][N][=O]
InChI: InChI=1S/C5H10N4O3/c1-2(10)3(8-4(6)11)9-5(7)12/h3H,1H3,(H3,6,8,11)(H3,7,9,12)
SMILES: CCc1ccc(N(C)C)cc1
SELFIES: [C][C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2]
InChI: InChI=1S/C10H15N/c1-4-9-5-7-10(8-6-9)11(2)3/h5-8H,4H2,1-3H3
SMILES: CC(=O)Nc1ccc(COC(C)=O)cc1
SELFIES: [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C][=C][Ring1][O]
InChI: InChI=1S/C11H13NO3/c1-8(13)12-11-5-3-10(4-6-11)7-15-9(2)14/h3-6H,7H2,1-2H3,(H,12,13)
SMILES: COc1ccc(C)cc1OC
SELFIES: [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C]
InChI: InChI=1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3
SMILES: CC(=O)OCc1ccc[nH+]c1.[Cl-]
SELFIES: [C][C][=Branch1][C][=O][O][C][C][=C][C][=C][NH1+1][=C][Ring1][=Branch1].[Cl-1]
InChI: InChI=1S/C8H9NO2.ClH/c1-7(10)11-6-8-3-2-4-9-5-8;/h2-5H,6H2,1H3;1H
SMILES: CC(=O)OCc1ccncc1
SELFIES: [C][C][=Branch1][C][=O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C8H9NO2/c1-7(10)11-6-8-2-4-9-5-3-8/h2-5H,6H2,1H3
SMILES: CC(=O)OCCc1ccccc1
SELFIES: [C][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
SMILES: Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
SELFIES: [C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]
InChI: InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
SMILES: Cc1ccc(OCc2ccccc2)cc1
SELFIES: [C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]
InChI: InChI=1S/C14H14O/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
SMILES: Cc1ccc2c(c1)OCO2
SELFIES: [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
InChI: InChI=1S/C8H8O2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-4H,5H2,1H3
SMILES: COc1ccc(COC(C)=O)cc1
SELFIES: [C][O][C][=C][C][=C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C][=C][Ring1][O]
InChI: InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
SMILES: COc1cccc(COC(C)=O)c1
SELFIES: [C][O][C][=C][C][=C][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][=C][Ring1][O]
InChI: InChI=1S/C10H12O3/c1-8(11)13-7-9-4-3-5-10(6-9)12-2/h3-6H,7H2,1-2H3
SMILES: COc1ccccc1COC(C)=O
SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C10H12O3/c1-8(11)13-7-9-5-3-4-6-10(9)12-2/h3-6H,7H2,1-2H3
SMILES: Cc1ccc2c(c1)CCO2
SELFIES: [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1]
InChI: InChI=1S/C9H10O/c1-7-2-3-9-8(6-7)4-5-10-9/h2-3,6H,4-5H2,1H3
SMILES: CC(=O)O[C@@H]1CCN(C(=O)OC(C)(C)C)C1
SELFIES: [C][C][=Branch1][C][=O][O][C@@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N]
InChI: InChI=1S/C11H19NO4/c1-8(13)15-9-5-6-12(7-9)10(14)16-11(2,3)4/h9H,5-7H2,1-4H3/t9-/m1/s1
SMILES: CC(=O)C[C@H]1CNC(=O)C1
SELFIES: [C][C][=Branch1][C][=O][C][C@H1][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1]
InChI: InChI=1S/C7H11NO2/c1-5(9)2-6-3-7(10)8-4-6/h6H,2-4H2,1H3,(H,8,10)/t6-/m1/s1
SMILES: CC(=O)C1CNCCC1C
SELFIES: [C][C][=Branch1][C][=O][C][C][N][C][C][C][Ring1][=Branch1][C]
InChI: InChI=1S/C8H15NO/c1-6-3-4-9-5-8(6)7(2)10/h6,8-9H,3-5H2,1-2H3
SMILES: CC(=O)c1cnc2ccccc2n1
SELFIES: [C][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2]
InChI: InChI=1S/C10H8N2O/c1-7(13)10-6-11-8-4-2-3-5-9(8)12-10/h2-6H,1H3
SMILES: CC(C)(C)OC(=O)NCCc1ccc(Oc2ccc(O)cc2)cc1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]
InChI: InChI=1S/C19H23NO4/c1-19(2,3)24-18(22)20-13-12-14-4-8-16(9-5-14)23-17-10-6-15(21)7-11-17/h4-11,21H,12-13H2,1-3H3,(H,20,22)
SMILES: CC(C)(C)OC(=O)NCCc1ccc(Oc2ccc(O)cc2)c(I)c1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][I][=C][Ring1][#C]
InChI: InChI=1S/C19H22INO4/c1-19(2,3)25-18(23)21-11-10-13-4-9-17(16(20)12-13)24-15-7-5-14(22)6-8-15/h4-9,12,22H,10-11H2,1-3H3,(H,21,23)
SMILES: CC(C)(C)OC(=O)NCCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][I][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][I][=C][Ring1][S]
InChI: InChI=1S/C19H21I2NO4/c1-19(2,3)26-18(24)22-9-8-12-10-15(20)17(16(21)11-12)25-14-6-4-13(23)5-7-14/h4-7,10-11,23H,8-9H2,1-3H3,(H,22,24)
SMILES: CC(C)(C)OC(=O)NCCc1ccc(Oc2ccc(O)c(I)c2)c(I)c1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][S][O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][Branch2][C][Branch1][C][I][=C][Ring1][S]
InChI: InChI=1S/C19H21I2NO4/c1-19(2,3)26-18(24)22-9-8-12-4-7-17(15(21)10-12)25-13-5-6-16(23)14(20)11-13/h4-7,10-11,23H,8-9H2,1-3H3,(H,22,24)
SMILES: CC(C)(C)OC(=O)NCCc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=C][C][Branch1][C][I][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][=Branch2][C][Branch1][C][I][=C][Ring1][P]
InChI: InChI=1S/C19H20I3NO4/c1-19(2,3)27-18(25)23-7-6-11-4-5-16(13(20)8-11)26-12-9-14(21)17(24)15(22)10-12/h4-5,8-10,24H,6-7H2,1-3H3,(H,23,25)
SMILES: CC(C)(C)OC(=O)NCCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][I][=C][Branch1][S][O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][Branch2][C][Branch1][C][I][=C][Ring1][P]
InChI: InChI=1S/C19H20I3NO4/c1-19(2,3)27-18(25)23-7-6-11-8-14(21)17(15(22)9-11)26-12-4-5-16(24)13(20)10-12/h4-5,8-10,24H,6-7H2,1-3H3,(H,23,25)
SMILES: CC(C)(C)OC(=O)NCCc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][I][=C][Branch2][Ring1][Ring1][O][C][=C][C][Branch1][C][I][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][=Branch2][C][Branch1][C][I][=C][Ring2][Ring1][C]
InChI: InChI=1S/C19H19I4NO4/c1-19(2,3)28-18(26)24-5-4-10-6-14(22)17(15(23)7-10)27-11-8-12(20)16(25)13(21)9-11/h6-9,25H,4-5H2,1-3H3,(H,24,26)
SMILES: CC(C)(C)OC(=O)NCCc1ccc(OCc2ccccc2)cc1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]
InChI: InChI=1S/C20H25NO3/c1-20(2,3)24-19(22)21-14-13-16-9-11-18(12-10-16)23-15-17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3,(H,21,22)
SMILES: CC(C)(C)OC(=O)NCCc1ccc(OCc2ccccc2)c(I)c1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][I][=C][Ring1][#C]
InChI: InChI=1S/C20H24INO3/c1-20(2,3)25-19(23)22-12-11-15-9-10-18(17(21)13-15)24-14-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H,22,23)
SMILES: CC(C)(C)OC(=O)NCCc1ccc(OCc2ccc(F)cc2)cc1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][#C]
InChI: InChI=1S/C20H24FNO3/c1-20(2,3)25-19(23)22-13-12-15-6-10-18(11-7-15)24-14-16-4-8-17(21)9-5-16/h4-11H,12-14H2,1-3H3,(H,22,23)
SMILES: COc1cccc(COc2ccc(CCNC(=O)OC(C)(C)C)cc2)c1
SELFIES: [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C][O][C][=C][C][=C][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][S][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C21H27NO4/c1-21(2,3)26-20(23)22-13-12-16-8-10-18(11-9-16)25-15-17-6-5-7-19(14-17)24-4/h5-11,14H,12-13,15H2,1-4H3,(H,22,23)
SMILES: Cc1cc(C)cc(COc2ccc(CCNC(=O)OC(C)(C)C)cc2)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=N][C][O][C][=C][C][=C][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][S][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C22H29NO3/c1-16-12-17(2)14-19(13-16)15-25-20-8-6-18(7-9-20)10-11-23-21(24)26-22(3,4)5/h6-9,12-14H,10-11,15H2,1-5H3,(H,23,24)
SMILES: CN(CCc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C
SELFIES: [C][N][Branch2][Ring1][#Branch1][C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C21H27NO3/c1-21(2,3)25-20(23)22(4)15-14-17-10-12-19(13-11-17)24-16-18-8-6-5-7-9-18/h5-13H,14-16H2,1-4H3
SMILES: CN(CCc1ccc(OCc2ccccc2)c(I)c1)C(=O)OC(C)(C)C
SELFIES: [C][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][I][=C][Ring1][#C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C21H26INO3/c1-21(2,3)26-20(24)23(4)13-12-16-10-11-19(18(22)14-16)25-15-17-8-6-5-7-9-17/h5-11,14H,12-13,15H2,1-4H3
SMILES: CCN(CCc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C
SELFIES: [C][C][N][Branch2][Ring1][#Branch1][C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C22H29NO3/c1-5-23(21(24)26-22(2,3)4)16-15-18-11-13-20(14-12-18)25-17-19-9-7-6-8-10-19/h6-14H,5,15-17H2,1-4H3
SMILES: CCCN(CCc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C
SELFIES: [C][C][C][N][Branch2][Ring1][#Branch1][C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C23H31NO3/c1-5-16-24(22(25)27-23(2,3)4)17-15-19-11-13-21(14-12-19)26-18-20-9-7-6-8-10-20/h6-14H,5,15-18H2,1-4H3