EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCCCC(CO)CO)C)C
InChI: InChI=1S/C35H61NO4/c1-24(2)9-8-10-25(3)30-14-15-31-29-13-12-27-21-28(16-18-34(27,4)32(29)17-19-35(30,31)5)40-33(39)36-20-7-6-11-26(22-37)23-38/h12,24-26,28-32,37-38H,6-11,13-23H2,1-5H3,(H,36,39)/t25-,28+,29+,30-,31+,32+,34+,35-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)SC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H22O7S/c1-10-15(23-11(2)19)16(24-12(3)20)17(25-13(4)21)18(22-10)26-14-8-6-5-7-9-14/h5-10,15-18H,1-4H3/t10-,15-,16+,17+,18-/m0/s1
SMILES: COC(=O)CN1[C@@H]([C@@H](C1=O)N2[C@H](COC2=O)C3=CC=CC=C3)CCC4=CC=CO4
InChI: InChI=1S/C21H22N2O6/c1-27-18(24)12-22-16(10-9-15-8-5-11-28-15)19(20(22)25)23-17(13-29-21(23)26)14-6-3-2-4-7-14/h2-8,11,16-17,19H,9-10,12-13H2,1H3/t16-,17-,19+/m1/s1
SMILES: CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)N2CCC[C@H]3[C@H]2CCCC3)C
InChI: InChI=1S/C19H26N2O4/c1-13(22)15-10-17(20(2)11-15)19(24)25-12-18(23)21-9-5-7-14-6-3-4-8-16(14)21/h10-11,14,16H,3-9,12H2,1-2H3/t14-,16+/m0/s1
SMILES: CC1([C@H]([C@H](C2=C(O1)C=CC(=C2)OCC3=NC4=C(C=CC(=C4)Cl)C=C3)O)CC5=C(C=CC(=C5)NS(=O)(=O)C(F)(F)F)OC)C
InChI: InChI=1S/C30H28ClF3N2O6S/c1-29(2)24(13-18-12-20(8-10-26(18)40-3)36-43(38,39)30(32,33)34)28(37)23-15-22(9-11-27(23)42-29)41-16-21-7-5-17-4-6-19(31)14-25(17)35-21/h4-12,14-15,24,28,36-37H,13,16H2,1-3H3/t24-,28-/m0/s1
SMILES: C[C@H]1[C@@H](N[C@@H]([C@@H](C1O)C)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
InChI: InChI=1S/C23H33N3O/c1-15-21(17-7-11-19(12-8-17)25(3)4)24-22(16(2)23(15)27)18-9-13-20(14-10-18)26(5)6/h7-16,21-24,27H,1-6H3/t15-,16-,21-,22+,23?/m0/s1
SMILES: COC(=O)[C@@H]1[C@H]([C@@]([C@@H]2N1C=C(C=C2)C(=O)N)(C#N)C(=O)N)C3=CC=C(C=C3)F
InChI: InChI=1S/C19H17FN4O4/c1-28-17(26)15-14(10-2-5-12(20)6-3-10)19(9-21,18(23)27)13-7-4-11(16(22)25)8-24(13)15/h2-8,13-15H,1H3,(H2,22,25)(H2,23,27)/t13-,14-,15+,19+/m1/s1
SMILES: C/C(=N\O)/[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C23H37NO3/c1-14(24-26)19-7-8-20-18-6-5-16-13-17(27-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21,26H,5-13H2,1-4H3/b24-14+/t16-,17-,18+,19+,20-,21+,22-,23+/m0/s1
SMILES: C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCOC5=CC=CC=C5
InChI: InChI=1S/C24H29NO2/c26-19-10-9-18-16-23-21-8-4-5-11-24(21,22(18)17-19)12-13-25(23)14-15-27-20-6-2-1-3-7-20/h1-3,6-7,9-10,17,21,23,26H,4-5,8,11-16H2/t21-,23+,24+/m0/s1
SMILES: C[C@@H]1[C@H](N(CC[C@]1(C2=CC=CC=C2)O)C)C3=CC=CC=C3
InChI: InChI=1S/C19H23NO/c1-15-18(16-9-5-3-6-10-16)20(2)14-13-19(15,21)17-11-7-4-8-12-17/h3-12,15,18,21H,13-14H2,1-2H3/t15-,18+,19+/m1/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1S(=O)(=O)[C@@H](CC3=CC=CC=C3)CNC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4
InChI: InChI=1S/C37H48N6O6S/c1-37(2,3)42-36(47)32-20-26-14-7-8-15-27(26)23-43(32)50(48,49)28(19-24-11-5-4-6-12-24)22-39-34(45)31(21-33(38)44)41-35(46)30-18-17-25-13-9-10-16-29(25)40-30/h4-6,9-13,16-18,26-28,31-32H,7-8,14-15,19-23H2,1-3H3,(H2,38,44)(H,39,45)(H,41,46)(H,42,47)/t26-,27+,28-,31-,32-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C(=C5)I)O)OC)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)O
InChI: InChI=1S/C31H24INO9/c1-12-7-22(35)26-19(27(12)36)11-18-15(24(26)13-8-20(32)28(37)23(9-13)42-2)5-6-17-25(18)30(39)33(29(17)38)14-3-4-16(31(40)41)21(34)10-14/h3-5,7-10,17-18,24-25,34,37H,6,11H2,1-2H3,(H,40,41)/t17-,18+,24-,25-/m0/s1
SMILES: CCCCC[C@@H]1[C@@H](O1)[C@H](CO)[Si](C)(C)C2=CC=CC=C2
InChI: InChI=1S/C17H28O2Si/c1-4-5-7-12-15-17(19-15)16(13-18)20(2,3)14-10-8-6-9-11-14/h6,8-11,15-18H,4-5,7,12-13H2,1-3H3/t15-,16+,17-/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@H]([C@H](O1)[C@@H](CNC(=O)N(C)N=O)OC)OC)O
InChI: InChI=1S/C12H23N3O7/c1-5-21-11-8(16)10(20-4)9(22-11)7(19-3)6-13-12(17)15(2)14-18/h7-11,16H,5-6H2,1-4H3,(H,13,17)/t7-,8-,9-,10-,11+/m1/s1
SMILES: C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)OC(C)(C)C
InChI: InChI=1S/C22H26N2O4S/c1-5-9-15-13-29-20-17(23-16(25)12-14-10-7-6-8-11-14)19(26)24(20)18(15)21(27)28-22(2,3)4/h5-11,17,20H,12-13H2,1-4H3,(H,23,25)/b9-5+/t17-,20-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H]([C@@H](CC(O3)(C(=O)O)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C38H44O7Si/c1-37(2,3)46(31-21-13-7-14-22-31,32-23-15-8-16-24-32)44-28-34-35(43-27-30-19-11-6-12-20-30)33(25-38(41-4,45-34)36(39)40)42-26-29-17-9-5-10-18-29/h5-24,33-35H,25-28H2,1-4H3,(H,39,40)/t33-,34-,35+,38?/m1/s1
SMILES: C[C@]12CCC[C@@]3([C@@H]1C[C@H]4[C@@H](C2)OC(=O)[C@@H]4CN5CCN(CC5)C6=CC=CC=C6F)CO3
InChI: InChI=1S/C25H33FN2O3/c1-24-7-4-8-25(16-30-25)22(24)13-17-18(23(29)31-21(17)14-24)15-27-9-11-28(12-10-27)20-6-3-2-5-19(20)26/h2-3,5-6,17-18,21-22H,4,7-16H2,1H3/t17-,18-,21-,22-,24-,25+/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)/C=C/3\CCN(C3=O)C4=CN=CC=C4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C35H34N4O6S/c1-35(2,3)45-34(43)37-27-31(41)39-28(33(42)44-29(22-11-6-4-7-12-22)23-13-8-5-9-14-23)25(21-46-32(27)39)19-24-16-18-38(30(24)40)26-15-10-17-36-20-26/h4-15,17,19-20,27,29,32H,16,18,21H2,1-3H3,(H,37,43)/b24-19+/t27-,32-/m1/s1
SMILES: C[C@H]1[C@@H](C(=O)N(C1=O)N)C(=O)[C@H](C(C)C)NC(=O)C[C@@H](C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)NC4=CC=CC=C4
InChI: InChI=1S/C33H37N5O5/c1-20(2)28(30(40)27-21(3)32(42)38(34)33(27)43)37-26(39)19-25(22-13-7-4-8-14-22)36-31(41)29(23-15-9-5-10-16-23)35-24-17-11-6-12-18-24/h4-18,20-21,25,27-29,35H,19,34H2,1-3H3,(H,36,41)(H,37,39)/t21-,25-,27+,28-,29?/m0/s1
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3C[C@@H]4[C@H](C3)C4C(=O)OC(C)(C)C)F
InChI: InChI=1S/C22H28FN3O5/c1-12(27)24-8-14-9-26(21(29)30-14)13-5-6-18(17(23)7-13)25-10-15-16(11-25)19(15)20(28)31-22(2,3)4/h5-7,14-16,19H,8-11H2,1-4H3,(H,24,27)/t14-,15-,16+,19?/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)O[C@@H]2[C@@H]([C@](O[C@H]2N3C=CC(=O)NC3=O)(COC(=O)C4=CC(=CC=C4)Cl)N=[N+]=[N-])OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C30H22ClN5O9/c31-21-13-7-12-20(16-21)26(38)42-17-30(34-35-32)24(44-28(40)19-10-5-2-6-11-19)23(43-27(39)18-8-3-1-4-9-18)25(45-30)36-15-14-22(37)33-29(36)41/h1-16,23-25H,17H2,(H,33,37,41)/t23-,24+,25-,30-/m1/s1
SMILES: CC(C)(C)[C@@H](C(=O)N[C@@H]1C[C@@H]1C2=CC=CC=C2)NC(=O)[C@H](CCCC3=CC=CC=C3)CC(=O)NO
InChI: InChI=1S/C28H37N3O4/c1-28(2,3)25(27(34)29-23-18-22(23)20-14-8-5-9-15-20)30-26(33)21(17-24(32)31-35)16-10-13-19-11-6-4-7-12-19/h4-9,11-12,14-15,21-23,25,35H,10,13,16-18H2,1-3H3,(H,29,34)(H,30,33)(H,31,32)/t21-,22-,23-,25-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](OC(O[C@H]2C3=CC=C(C=C3)CO)C4=CC(=CC=C4)N)CSC5=C(C=CC=N5)C(=O)O
InChI: InChI=1S/C30H28N2O5S/c31-23-9-4-8-22(16-23)30-36-25(18-38-28-24(29(34)35)10-5-15-32-28)26(20-6-2-1-3-7-20)27(37-30)21-13-11-19(17-33)12-14-21/h1-16,25-27,30,33H,17-18,31H2,(H,34,35)/t25-,26-,27+,30?/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(C=C6)OCCO)C7=CC=C(C=C7)Cl)NC8=C(C=C(C=N8)C(F)(F)F)Cl
InChI: InChI=1S/C42H35Cl2F3N4O6/c1-2-22-3-11-27(12-4-22)50-37(53)30-16-15-29-31(34(30)39(50)55)20-32-38(54)51(49-36-33(44)19-25(21-48-36)42(45,46)47)40(56)41(32,24-7-9-26(43)10-8-24)35(29)23-5-13-28(14-6-23)57-18-17-52/h3-15,19,21,30-32,34-35,52H,2,16-18,20H2,1H3,(H,48,49)/t30-,31+,32-,34-,35-,41+/m0/s1
SMILES: C1CCC2=C3CCCC[C@H]3[C@@H]([C@H]([C@@H]2C1)C(=O)[O-])C(=O)[O-]
InChI: InChI=1S/C16H22O4/c17-15(18)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16(19)20/h11-14H,1-8H2,(H,17,18)(H,19,20)/p-2/t11-,12-,13+,14+/m1/s1
SMILES: CN(C)CC1=CN(N=N1)C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCC4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C22H30N6O3/c1-26(2)10-17-11-28(25-24-17)12-18-8-16-5-6-27(18)13-19(16)22(29)23-9-15-3-4-20-21(7-15)31-14-30-20/h3-4,7,11,16,18-19H,5-6,8-10,12-14H2,1-2H3,(H,23,29)/t16-,18+,19-/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)N(C4=O)C9=CC=C(C=C9)Cl
InChI: InChI=1S/C42H36Cl2N4O5S/c1-19-14-22(15-20(2)36(19)49)35-26-11-12-27-34(40(52)47(38(27)50)25-9-6-23(43)7-10-25)29(26)17-30-39(51)48(41(53)42(30,35)4)33-18-31(45-46(33)5)37-21(3)28-16-24(44)8-13-32(28)54-37/h6-11,13-16,18,27,29-30,34-35,49H,12,17H2,1-5H3/t27-,29+,30-,34-,35-,42+/m0/s1
SMILES: CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)OC(=O)/C=C/C=C/[C@@H]([C@@H](C)O)O)C)COC(=O)/C=C(\C)/CCO
InChI: InChI=1S/C29H40O9/c1-18-9-11-28(16-35-26(34)14-19(2)10-12-30)23(13-18)37-24-15-22(27(28,4)29(24)17-36-29)38-25(33)8-6-5-7-21(32)20(3)31/h5-8,13-14,20-24,30-32H,9-12,15-17H2,1-4H3/b7-5+,8-6+,19-14+/t20-,21+,22-,23-,24-,27-,28-,29+/m1/s1
SMILES: COC1=C(C=C(C=C1)C(=O)[C@@H]2[C@@H](O2)C3=CC4=C(C=C3)OCO4)OC
InChI: InChI=1S/C18H16O6/c1-20-12-5-3-10(7-14(12)21-2)16(19)18-17(24-18)11-4-6-13-15(8-11)23-9-22-13/h3-8,17-18H,9H2,1-2H3/t17-,18+/m0/s1
SMILES: COC1=C(C=CC(=C1)O)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C(=O)OC)C(=O)N(C3=O)C(=O)OC
InChI: InChI=1S/C25H24N2O10/c1-35-16-8-10(28)4-5-12(16)17-11-6-7-13-18(22(31)26(20(13)29)24(33)36-2)14(11)9-15-19(17)23(32)27(21(15)30)25(34)37-3/h4-6,8,13-15,17-19,28H,7,9H2,1-3H3/t13-,14+,15+,17+,18-,19+/m0/s1
SMILES: CCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC4=CC=C(C=C4)[N+](=O)[O-])C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CC6=CC7=C(C=C6)OCO7)C(=O)OC)OCC=C
InChI: InChI=1S/C47H56N4O13/c1-4-22-61-47-42(50(46(55)58-3)27-31-14-18-40-41(23-31)60-29-59-40)26-38(49-62-28-30-12-15-33(16-13-30)51(56)57)36-24-32(10-6-8-20-52)35(11-7-9-21-53)43(44(36)47)37-25-34(17-19-39(37)64-47)63-45(54)48-5-2/h4,12-19,23-25,32,35,42-44,52-53H,1,5-11,20-22,26-29H2,2-3H3,(H,48,54)/t32-,35+,42-,43+,44+,47+/m0/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)OC(=O)CCC(=O)[O-])C)C
InChI: InChI=1S/C29H42O8/c1-16(5-9-25(34)36-4)19-6-7-20-27-21(15-23(31)29(19,20)3)28(2)12-11-18(13-17(28)14-22(27)30)37-26(35)10-8-24(32)33/h16-21,27H,5-15H2,1-4H3,(H,32,33)/p-1/t16-,17+,18-,19-,20+,21+,27-,28+,29-/m1/s1
SMILES: C1CCN2CCC[C@H]([C@H]2C1)CNC3=C4CCCCC4=C(C=C3)N=NC5=C(C=CC(=C5)F)F
InChI: InChI=1S/C26H32F2N4/c27-19-10-11-22(28)25(16-19)31-30-24-13-12-23(20-7-1-2-8-21(20)24)29-17-18-6-5-15-32-14-4-3-9-26(18)32/h10-13,16,18,26,29H,1-9,14-15,17H2/t18-,26+/m0/s1
SMILES: CC(C)C[C@@H]1[C@@H](C([C@@H](C=C1O[Si](C)(C)C(C)(C)C)C2=CC=C(C=C2)OC)C=O)C3=CC=CC=C3
InChI: InChI=1S/C30H42O3Si/c1-21(2)18-26-28(33-34(7,8)30(3,4)5)19-25(22-14-16-24(32-6)17-15-22)27(20-31)29(26)23-12-10-9-11-13-23/h9-17,19-21,25-27,29H,18H2,1-8H3/t25-,26-,27?,29-/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=C(C(=C5)I)O)OC)C(=O)N(C4=O)O)Cl
InChI: InChI=1S/C22H19Cl2IN2O7/c1-26-19(31)21(23)7-11-9(3-4-10-14(11)18(30)27(33)17(10)29)15(22(21,24)20(26)32)8-5-12(25)16(28)13(6-8)34-2/h3,5-6,10-11,14-15,28,33H,4,7H2,1-2H3/t10-,11+,14-,15-,21+,22-/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@H]3[C@](O3)([C@@H]4[C@H]2OC(O4)(C)C)Br)C
InChI: InChI=1S/C12H17BrO5/c1-10(2)14-5-6-8(17-11(3,4)16-6)12(13)9(18-12)7(5)15-10/h5-9H,1-4H3/t5-,6+,7-,8+,9+,12-/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)CCN([C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO)C(=O)C5=CC=C(C=C5)C(F)(F)F
InChI: InChI=1S/C33H33F3N2O7/c1-43-22-11-12-26(44-2)20(17-22)13-15-38(32(42)19-7-9-21(10-8-19)33(34,35)36)25-18-24(31(41)37-14-16-39)28-23-5-3-4-6-27(23)45-30(28)29(25)40/h3-12,17-18,25,28-30,39-40H,13-16H2,1-2H3,(H,37,41)/t25-,28+,29+,30+/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CC=CO3)SC1)C(=O)O
InChI: InChI=1S/C17H17N3O8S/c1-8(21)28-6-9-7-29-16-12(15(23)20(16)13(9)17(24)25)18-14(22)11(19-26-2)10-4-3-5-27-10/h3-5,12,16H,6-7H2,1-2H3,(H,18,22)(H,24,25)/b19-11-/t12-,16-/m1/s1
SMILES: C[C@@H]([C@H]1C[C@@H]2CC[C@H]1C2)NC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C25H27N3O/c1-17(22-15-18-12-13-20(22)14-18)26-25(29)23-16-28(21-10-6-3-7-11-21)27-24(23)19-8-4-2-5-9-19/h2-11,16-18,20,22H,12-15H2,1H3,(H,26,29)/t17-,18+,20-,22+/m0/s1
SMILES: C[C@@]12[C@H](CCC(C13CC(CC2OC(=O)/C=C/C4=CC=CC=C4)C(O3)(C)C)(C)O)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C31H36O6/c1-28(2)23-19-25(35-26(32)16-15-21-11-7-5-8-12-21)30(4)24(36-27(33)22-13-9-6-10-14-22)17-18-29(3,34)31(30,20-23)37-28/h5-16,23-25,34H,17-20H2,1-4H3/b16-15+/t23?,24-,25?,29?,30-,31?/m0/s1
SMILES: C1=CC=C(C=C1)[C@H](C#CC2=NC3=C(C(=N2)Cl)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C19H17ClN4O5/c20-17-14-18(24(9-21-14)19-16(28)15(27)12(8-25)29-19)23-13(22-17)7-6-11(26)10-4-2-1-3-5-10/h1-5,9,11-12,15-16,19,25-28H,8H2/t11-,12+,15+,16+,19+/m0/s1
SMILES: CC(C1=CC=CC=C1)N2C(=O)[C@@H]3CC[C@@H]4[C@@H]([C@@H]3C2=O)[C@@H](C=CC4=O)O
InChI: InChI=1S/C20H21NO4/c1-11(12-5-3-2-4-6-12)21-19(24)14-8-7-13-15(22)9-10-16(23)17(13)18(14)20(21)25/h2-6,9-11,13-14,16-18,23H,7-8H2,1H3/t11?,13-,14+,16+,17+,18+/m0/s1
SMILES: C1=CC=C(C=C1)CN2[C@H]([C@@H](C3=CC=CC=C3C2=O)CN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6
InChI: InChI=1S/C31H24N2O3/c34-29-24-16-8-7-15-23(24)27(20-33-30(35)25-17-9-10-18-26(25)31(33)36)28(22-13-5-2-6-14-22)32(29)19-21-11-3-1-4-12-21/h1-18,27-28H,19-20H2/t27-,28+/m1/s1
SMILES: C[C@H]1CC[C@H](O[C@@H]1[C@@H](C)[C@H]([C@@H](C)C=C)O)[C@H](C)C(=O)OC
InChI: InChI=1S/C17H30O4/c1-7-10(2)15(18)13(5)16-11(3)8-9-14(21-16)12(4)17(19)20-6/h7,10-16,18H,1,8-9H2,2-6H3/t10-,11-,12-,13-,14-,15-,16-/m0/s1
SMILES: C1[C@@]2([C@H](O1)[C@H]([C@H](O2)CO)O)N3C=CC(=O)NC3=O
InChI: InChI=1S/C10H12N2O6/c13-3-5-7(15)8-10(18-5,4-17-8)12-2-1-6(14)11-9(12)16/h1-2,5,7-8,13,15H,3-4H2,(H,11,14,16)/t5-,7+,8-,10-/m1/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)OS(=O)(=O)O)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)OS(=O)(=O)O)CO)CO)O)OS(=O)(=O)O)O)O
InChI: InChI=1S/C18H32O25S3/c19-1-4-7(22)14(41-44(27,28)29)11(26)16(36-4)39-13-6(3-21)38-18(15(10(13)25)42-45(30,31)32)40-12-5(2-20)37-17(9(24)8(12)23)43-46(33,34)35/h4-26H,1-3H2,(H,27,28,29)(H,30,31,32)(H,33,34,35)/t4-,5-,6-,7+,8-,9-,10+,11-,12+,13+,14+,15-,16+,17+,18+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)SC[C@H](C2[C@H]([C@H](C(O2)OC)O)O)O)O
InChI: InChI=1S/C18H31NO13S/c1-6(21)19-10-7(22)3-18(17(28)29,32-15(10)11(25)8(23)4-20)33-5-9(24)14-12(26)13(27)16(30-2)31-14/h7-16,20,22-27H,3-5H2,1-2H3,(H,19,21)(H,28,29)/t7-,8+,9+,10+,11+,12-,13+,14?,15+,16?,18-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCC(C4=CC(=C(C=C4)O)O)OC)O)O)O)O
InChI: InChI=1S/C30H38O16/c1-13-23(37)24(38)25(39)30(43-13)46-28-26(40)29(42-12-21(41-2)15-5-7-17(33)19(35)10-15)44-20(11-31)27(28)45-22(36)8-4-14-3-6-16(32)18(34)9-14/h3-10,13,20-21,23-35,37-40H,11-12H2,1-2H3/b8-4+/t13-,20+,21?,23-,24+,25+,26+,27+,28+,29+,30-/m0/s1
SMILES: CCOC(=O)[C@@H]1CSC2=C([C@@H]1C3=CC(=C(C=C3)OC)OC)SC(=O)N2
InChI: InChI=1S/C17H19NO5S2/c1-4-23-16(19)10-8-24-15-14(25-17(20)18-15)13(10)9-5-6-11(21-2)12(7-9)22-3/h5-7,10,13H,4,8H2,1-3H3,(H,18,20)/t10-,13-/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@H]3[C@H]2OC[C@H]3OC(=O)NC4=CC=C(C=C4)C
InChI: InChI=1S/C22H24N2O6/c1-13-3-7-15(8-4-13)23-21(25)29-17-11-27-20-18(12-28-19(17)20)30-22(26)24-16-9-5-14(2)6-10-16/h3-10,17-20H,11-12H2,1-2H3,(H,23,25)(H,24,26)/t17-,18-,19-,20+/m1/s1
SMILES: C[C@H]1C2=C(CCN1CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)SC=C2
InChI: InChI=1S/C17H20N2O2S/c1-11-12-7-9-22-15(12)6-8-18(11)10-19-16(20)13-4-2-3-5-14(13)17(19)21/h2-3,7,9,11,13-14H,4-6,8,10H2,1H3/t11-,13-,14+/m0/s1
SMILES: CC1=CC(=O)C[C@]2([C@H]1CC[C@@H]3[C@]24CC[C@](C(C3)C4)(C)O)C
InChI: InChI=1S/C19H28O2/c1-12-8-15(20)11-17(2)16(12)5-4-13-9-14-10-19(13,17)7-6-18(14,3)21/h8,13-14,16,21H,4-7,9-11H2,1-3H3/t13-,14?,16-,17-,18-,19+/m0/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=CC7=CC=CC=C76)O)C)C8=CC(=C(C=C8)F)Cl)(O)O
InChI: InChI=1S/C37H29BClFN2O7/c1-37-26(34(45)42(36(37)47)21-10-13-28(40)27(39)16-21)17-25-23(32(37)31-22-8-3-2-5-18(22)9-14-29(31)43)11-12-24-30(25)35(46)41(33(24)44)20-7-4-6-19(15-20)38(48)49/h2-11,13-16,24-26,30,32,43,48-49H,12,17H2,1H3/t24-,25+,26-,30-,32+,37+/m0/s1
SMILES: CCCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CC2CC2)CC3=CC=CC=C3)O)O)CC4=CC=CC=C4
InChI: InChI=1S/C27H36N2O3/c1-2-3-16-28-23(17-20-10-6-4-7-11-20)25(30)26(31)24(18-21-12-8-5-9-13-21)29(27(28)32)19-22-14-15-22/h4-13,22-26,30-31H,2-3,14-19H2,1H3/t23-,24-,25+,26+/m1/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6CC9=CC(=CC=C9)Cl)C=CC(=C8)Cl
InChI: InChI=1S/C33H30Cl2N2O3/c34-21-3-1-2-19(12-21)17-37-25-8-7-22(35)14-23(25)24-15-33(39)27-13-20-6-9-26(38)30-28(20)32(33,31(40-30)29(24)37)10-11-36(27)16-18-4-5-18/h1-3,6-9,12,14,18,27,31,38-39H,4-5,10-11,13,15-17H2/t27-,31+,32+,33-/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)C3=C(NC4=CC=CC=C43)C
InChI: InChI=1S/C22H25N3O5/c1-13-7-5-6-10-22(13)20(28)25(21(29)24-22)11-18(27)30-12-17(26)19-14(2)23-16-9-4-3-8-15(16)19/h3-4,8-9,13,23H,5-7,10-12H2,1-2H3,(H,24,29)/t13-,22+/m1/s1
SMILES: C[C@H]1C[C@H]2[C@@]3(CCCN4[C@@H]3CCC4)[C@@H]([C@H]1O)CC(=O)O2
InChI: InChI=1S/C16H25NO3/c1-10-8-13-16(11(15(10)19)9-14(18)20-13)5-3-7-17-6-2-4-12(16)17/h10-13,15,19H,2-9H2,1H3/t10-,11+,12+,13-,15-,16-/m0/s1
SMILES: CC1=NOC(=C1C2=N[C@H]([C@@H](O2)C3=CC=CC=C3)COC)[C@H](SC4=CC=CC=C4)SC5=CC=CC=N5
InChI: InChI=1S/C27H25N3O3S2/c1-18-23(26-29-21(17-31-2)24(32-26)19-11-5-3-6-12-19)25(33-30-18)27(34-20-13-7-4-8-14-20)35-22-15-9-10-16-28-22/h3-16,21,24,27H,17H2,1-2H3/t21-,24-,27+/m0/s1
SMILES: C[C@H]1[C@@H](C(=O)NC1=O)C(=O)[C@H](C(C)C)NC(=O)C[C@@H](C2=CC=CC=C2)NC(=O)NCC=C
InChI: InChI=1S/C23H30N4O5/c1-5-11-24-23(32)25-16(15-9-7-6-8-10-15)12-17(28)26-19(13(2)3)20(29)18-14(4)21(30)27-22(18)31/h5-10,13-14,16,18-19H,1,11-12H2,2-4H3,(H,26,28)(H2,24,25,32)(H,27,30,31)/t14-,16-,18+,19-/m0/s1
SMILES: C[C@]1(CCCN2[C@@H]1C3=C(CC2)C4=CC=CC=C4O3)CC(=O)OC
InChI: InChI=1S/C19H23NO3/c1-19(12-16(21)22-2)9-5-10-20-11-8-14-13-6-3-4-7-15(13)23-17(14)18(19)20/h3-4,6-7,18H,5,8-12H2,1-2H3/t18-,19+/m1/s1
SMILES: C1[C@@H]2[C@@H]([C@H]([C@]3(N2CS1)C4=C(C=CC(=C4)F)NC3=O)C(=O)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C26H21FN2O2S/c27-18-11-12-20-19(13-18)26(25(31)28-20)23(24(30)17-9-5-2-6-10-17)22(16-7-3-1-4-8-16)21-14-32-15-29(21)26/h1-13,21-23H,14-15H2,(H,28,31)/t21-,22+,23+,26-/m1/s1
SMILES: CCN1[C@@H]2[C@H](C(=C(O2)C)C(=O)OCC)N(C3=CC=CC=C31)C(=O)C
InChI: InChI=1S/C18H22N2O4/c1-5-19-13-9-7-8-10-14(13)20(12(4)21)16-15(18(22)23-6-2)11(3)24-17(16)19/h7-10,16-17H,5-6H2,1-4H3/t16-,17-/m0/s1
SMILES: CC[C@@H]1[C@@]([C@H]2[C@H](N(C[C@@H](CC([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C(=O)O2)C)(C)O
InChI: InChI=1S/C30H52N2O10/c1-11-21-30(8,38)25-19(6)32(28(36)42-25)14-15(2)13-29(7,37)24(17(4)22(33)18(5)26(35)40-21)41-27-23(34)20(31(9)10)12-16(3)39-27/h15-21,23-25,27,34,37-38H,11-14H2,1-10H3/t15-,16-,17+,18-,19-,20+,21-,23-,24-,25-,27+,29?,30-/m1/s1
SMILES: CCSC(=C)[C@@]1(CC[C@]2([C@H]1CCC3=C2CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCCC(C)C)C)C)C)O
InChI: InChI=1S/C31H52OS/c1-9-33-23(5)31(32)20-19-28(6)25-16-18-29(7)24(22(4)12-10-11-21(2)3)15-17-30(29,8)26(25)13-14-27(28)31/h21-22,24,27,32H,5,9-20H2,1-4,6-8H3/t22-,24-,27-,28-,29-,30+,31-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H]5[C@@H]4[C@@H]5OC(=O)C)C)C
InChI: InChI=1S/C23H34O4/c1-12(24)26-19-8-7-16-14-5-6-18-20-15(21(20)27-13(2)25)11-23(18,4)17(14)9-10-22(16,19)3/h14-21H,5-11H2,1-4H3/t14-,15-,16-,17-,18-,19-,20-,21+,22-,23+/m0/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC4=CC=CC=C4)C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CCOCCO)C(=O)CCCCCCCCCCC)OCC=C
InChI: InChI=1S/C63H99N3O10/c1-4-7-9-11-13-15-17-19-21-28-38-64-62(71)75-52-36-37-57-55(47-52)60-53(34-27-30-41-68)51(33-26-29-40-67)46-54-56(65-74-49-50-31-23-22-24-32-50)48-58(63(76-57,61(54)60)73-43-6-3)66(39-44-72-45-42-69)59(70)35-25-20-18-16-14-12-10-8-5-2/h6,22-24,31-32,36-37,46-47,51,53,58,60-61,67-69H,3-5,7-21,25-30,33-35,38-45,48-49H2,1-2H3,(H,64,71)/t51-,53+,58-,60+,61+,63+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=C(C=C6)O)Cl)Cl)C7=CC=C(C=C7)F)Cl)Cl
InChI: InChI=1S/C33H23Cl4FN2O5/c1-15-2-5-18(12-24(15)34)39-28(42)22-11-10-20-23(26(22)29(39)43)14-32(36)30(44)40(17-6-3-16(38)4-7-17)31(45)33(32,37)27(20)21-9-8-19(41)13-25(21)35/h2-10,12-13,22-23,26-27,41H,11,14H2,1H3/t22-,23+,26-,27+,32+,33-/m0/s1
SMILES: C1[C@H]2[C@H]([C@H]([C@H]1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C=CC5=CC=CC=C54)N[C@H]2C6=CC=C(C=C6)F
InChI: InChI=1S/C28H22ClFN2O2S/c29-27-24(35-23-8-4-3-7-22(23)32(33)34)15-20-26(27)25-19-6-2-1-5-16(19)11-14-21(25)31-28(20)17-9-12-18(30)13-10-17/h1-14,20,24,26-28,31H,15H2/t20-,24-,26-,27-,28-/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1C(=O)C=C4[C@]2(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)C)(C=CC(=O)C3(C)C)C
InChI: InChI=1S/C30H42O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)17-25)16-20(31)23-27(5)10-9-22(32)26(3,4)21(27)8-11-29(23,28)7/h9-10,16,19,21,23H,8,11-15,17H2,1-7H3,(H,33,34)/t19?,21-,23+,27-,28+,29+,30-/m0/s1
SMILES: CC(C)N(C(C)C)C(=O)[C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC=C(C4)C(=O)O)C)C
InChI: InChI=1S/C27H43NO3/c1-16(2)28(17(3)4)24(29)23-10-9-21-20-8-7-19-15-18(25(30)31)11-13-26(19,5)22(20)12-14-27(21,23)6/h11,16-17,19-23H,7-10,12-15H2,1-6H3,(H,30,31)/t19-,20?,21?,22?,23+,26-,27-/m0/s1
SMILES: C[C@H]1[C@@H]2CC[C@]3([C@@H](C[C@H](C(=C3[C@H]2OC1=O)C)O)O)C
InChI: InChI=1S/C15H22O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7,9-11,13,16-17H,4-6H2,1-3H3/t7-,9-,10+,11+,13-,15-/m0/s1
SMILES: CC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N[C@@H]([C@H]4[C@H]3C=CC4)C5=CC=C(C=C5)C(=O)OC
InChI: InChI=1S/C27H26N2O4S/c1-17-6-12-20(13-7-17)29-34(31,32)21-14-15-25-24(16-21)22-4-3-5-23(22)26(28-25)18-8-10-19(11-9-18)27(30)33-2/h3-4,6-16,22-23,26,28-29H,5H2,1-2H3/t22-,23-,26-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@@H]([C@H](O1)C2=CC=CC=C2)C3=CC=CC=C3)CC=C
InChI: InChI=1S/C21H22O4/c1-3-10-18-21(23-15(2)22)25-20(17-13-8-5-9-14-17)19(24-18)16-11-6-4-7-12-16/h3-9,11-14,18-21H,1,10H2,2H3/t18-,19-,20-,21+/m1/s1
SMILES: COC1=CC=CC(=C1)CNC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H24N2O4/c1-25-14-6-4-5-13(11-14)12-20-17(22)9-10-21-18(23)15-7-2-3-8-16(15)19(21)24/h4-6,11,15-16H,2-3,7-10,12H2,1H3,(H,20,22)/t15-,16+
SMILES: CC(C)(C)C1=CC2=C(C=C1)[C@H]3[C@@H]4[C@@H]([C@@H]2C5=C3C=C(C=C5)C(C)(C)C)C(=O)N(C4=O)C6=CC=C(C=C6)F
InChI: InChI=1S/C32H32FNO2/c1-31(2,3)17-7-13-21-23(15-17)25-22-14-8-18(32(4,5)6)16-24(22)26(21)28-27(25)29(35)34(30(28)36)20-11-9-19(33)10-12-20/h7-16,25-28H,1-6H3/t25-,26-,27-,28-/m1/s1
SMILES: CC(=CC[C@@H]1[C@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)C4=CN=CC=C4)OC)C
InChI: InChI=1S/C36H52N8O11/c1-20(2)9-10-25-35(3,55-25)31-30(52-4)24(11-12-36(31)19-53-36)54-34(51)42-18-27(46)43-22(8-6-14-40-33(37)38)32(50)41-17-26(45)44-23(15-28(47)48)29(49)21-7-5-13-39-16-21/h5,7,9,13,16,22-25,30-31H,6,8,10-12,14-15,17-19H2,1-4H3,(H,41,50)(H,42,51)(H,43,46)(H,44,45)(H,47,48)(H4,37,38,40)/t22-,23-,24+,25+,30+,31+,35+,36-/m0/s1
SMILES: CCC1=C2C(=CC=C1)[C@]3([C@H]4[C@@H]([C@H]5[NH+]3CCC5)C(=O)N(C4=O)C6=C(C(=CC=C6)[N+](=O)[O-])C)C(=O)N2
InChI: InChI=1S/C25H24N4O5/c1-3-14-7-4-8-15-21(14)26-24(32)25(15)20-19(18-11-6-12-27(18)25)22(30)28(23(20)31)16-9-5-10-17(13(16)2)29(33)34/h4-5,7-10,18-20H,3,6,11-12H2,1-2H3,(H,26,32)/p+1/t18-,19+,20-,25-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=CC=C5)O)C(=O)N(C4=O)C6=CC(=C(C(=C6)[N+](=O)[O-])N(C)C)[N+](=O)[O-])C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C35H29ClFN5O9/c1-35-23(32(45)40(34(35)47)17-7-10-25(37)24(36)12-17)15-22-20(29(35)16-5-4-6-19(43)11-16)8-9-21-28(22)33(46)39(31(21)44)18-13-26(41(48)49)30(38(2)3)27(14-18)42(50)51/h4-8,10-14,21-23,28-29,43H,9,15H2,1-3H3/t21-,22+,23-,28-,29-,35+/m0/s1
SMILES: C1[C@@H]2[C@H]1[C@@H]3C=C[C@H]2[C@@H]4[C@H]3C(=O)N(C4=O)CC(=O)OC5=CC=CC=C5C(=O)OC6=CC=CC=C6
InChI: InChI=1S/C26H21NO6/c28-21(33-20-9-5-4-8-17(20)26(31)32-14-6-2-1-3-7-14)13-27-24(29)22-15-10-11-16(19-12-18(15)19)23(22)25(27)30/h1-11,15-16,18-19,22-23H,12-13H2/t15-,16+,18+,19-,22-,23+
SMILES: CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)[C@@H]5[C@@H]([C@@H]([C@H]3O5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C34H30O3/c1-21-25-15-9-10-16-26(25)22(2)29-27(21)17-18-28-30(29)32-34(36-20-24-13-7-4-8-14-24)33(31(28)37-32)35-19-23-11-5-3-6-12-23/h3-18,31-34H,19-20H2,1-2H3/t31-,32+,33+,34-/m0/s1