EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=CC(=C4)C5=NC(=NO5)C6=CC(=CC=C6)[N+](=O)[O-]
InChI: InChI=1S/C23H18N4O5/c28-22-18-12-7-8-13(9-12)19(18)23(29)26(22)16-5-2-4-15(11-16)21-24-20(25-32-21)14-3-1-6-17(10-14)27(30)31/h1-6,10-13,18-19H,7-9H2/t12-,13+,18+,19-
SMILES: CC(C)(C)COC(=O)N(C)[C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC=C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C38H56N2O8/c1-8-20-45-27-16-17-32-30(23-27)34-28(15-11-13-19-42)26(14-10-12-18-41)22-29-31(39-44-7)24-33(38(48-32,35(29)34)47-21-9-2)40(6)36(43)46-25-37(3,4)5/h8-9,16-17,22-23,26,28,33-35,41-42H,1-2,10-15,18-21,24-25H2,3-7H3/t26-,28+,33-,34+,35+,38+/m0/s1
SMILES: C[C@@H]1CCC[C@]2([C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)C[C@H](C)[C@H](C)C(C)C)C)C
InChI: InChI=1S/C30H54/c1-19(2)23(6)21(4)18-22(5)26-13-14-27-24-11-12-25-20(3)10-9-16-29(25,7)28(24)15-17-30(26,27)8/h19-28H,9-18H2,1-8H3/t20-,21+,22-,23-,24+,25+,26-,27+,28+,29+,30-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=C(C(=CC=C3)Cl)Cl
InChI: InChI=1S/C14H13Cl2NO2/c15-10-6-3-7-11(12(10)16)17-13(18)8-4-1-2-5-9(8)14(17)19/h3,6-9H,1-2,4-5H2/t8-,9-/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=COC6=CC=CC=C65)CCOCCOCCO
InChI: InChI=1S/C34H42N2O9/c1-2-41-34-26(9-15-39-17-18-40-16-14-37)27(28-22-42-29-6-4-3-5-25(28)29)20-32(45-34)33(38)36-12-10-35(11-13-36)21-24-7-8-30-31(19-24)44-23-43-30/h3-8,19-20,22,26-27,34,37H,2,9-18,21,23H2,1H3/t26-,27-,34+/m1/s1
SMILES: CCCCCCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=CC=CC=C23)C(=O)NCCO)C(=O)C4CCCC4
InChI: InChI=1S/C27H38N2O5/c1-2-3-4-9-15-29(27(33)18-10-5-6-11-18)21-17-20(26(32)28-14-16-30)23-19-12-7-8-13-22(19)34-25(23)24(21)31/h7-8,12-13,17-18,21,23-25,30-31H,2-6,9-11,14-16H2,1H3,(H,28,32)/t21-,23+,24+,25+/m1/s1
SMILES: CN1CC[C@H]([C@@H](C1)C2=CC=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-].C(=C\C(=O)O)\C(=O)O
InChI: InChI=1S/C18H20N2O3.C4H4O4/c1-19-12-11-18(17(13-19)14-5-3-2-4-6-14)23-16-9-7-15(8-10-16)20(21)22;5-3(6)1-2-4(7)8/h2-10,17-18H,11-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t17-,18+;/m0./s1
SMILES: CCOC(=O)[C@@](C)(CC1=CC=CC=C1)C(=C)O[C@H]2CCCC[C@@H]2O
InChI: InChI=1S/C20H28O4/c1-4-23-19(22)20(3,14-16-10-6-5-7-11-16)15(2)24-18-13-9-8-12-17(18)21/h5-7,10-11,17-18,21H,2,4,8-9,12-14H2,1,3H3/t17-,18-,20-/m0/s1
SMILES: CC(=O)OC[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC2=CC(=C(C=C2)C(=O)COC3=CC=C(C=C3)F)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H29FO13/c1-14(30)36-13-24-25(38-15(2)31)26(39-16(3)32)27(40-17(4)33)28(42-24)41-20-9-10-21(22(34)11-20)23(35)12-37-19-7-5-18(29)6-8-19/h5-11,24-28,34H,12-13H2,1-4H3/t24-,25+,26-,27-,28+/m0/s1
SMILES: CCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)[C@@H]([C@@H](CCCC/C=C\CCCCCCCCCCCC)O)O)O
InChI: InChI=1S/C50H95NO15/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-37(54)41(56)36(51-48(62)38(55)32-30-28-26-24-21-16-14-12-10-8-6-4-2)35-63-49-46(61)44(59)47(40(34-53)65-49)66-50-45(60)43(58)42(57)39(33-52)64-50/h22-23,36-47,49-50,52-61H,3-21,24-35H2,1-2H3,(H,51,62)/b23-22-/t36-,37+,38+,39+,40+,41-,42-,43-,44+,45+,46+,47+,49+,50-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CN(C3)C4=NC(=CS4)C(=O)N[C@H]5CCN(C5)C(=O)OC(C)OC(=O)C6=CC=CC=C6)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C31H35N5O9S2/c1-15-23-22(16(2)37)27(39)36(23)24(28(40)41)25(15)47-20-12-35(13-20)30-33-21(14-46-30)26(38)32-19-9-10-34(11-19)31(43)45-17(3)44-29(42)18-7-5-4-6-8-18/h4-8,14-17,19-20,22-23,37H,9-13H2,1-3H3,(H,32,38)(H,40,41)/t15-,16-,17?,19+,22-,23-/m1/s1
SMILES: CC(=CC1O[C@@H]2[C@@H](C(O1)(C)C)OC3=CC[C@@]4([C@@]5([C@@H](CC[C@]4(C36C2O6)O)CC7=C5NC8=CC=CC(=C78)CC9C(O9)(C)C)C)C)C
InChI: InChI=1S/C37H47NO6/c1-19(2)16-26-41-28-30(33(5,6)43-26)40-24-13-14-34(7)35(8)21(12-15-36(34,39)37(24)31(28)44-37)18-22-27-20(17-25-32(3,4)42-25)10-9-11-23(27)38-29(22)35/h9-11,13,16,21,25-26,28,30-31,38-39H,12,14-15,17-18H2,1-8H3/t21-,25?,26?,28+,30-,31?,34+,35+,36-,37?/m0/s1
SMILES: C[C@@H]1[C@@H]2C[C@@]2(C(=O)O1)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C12H12O4S/c1-8-10-7-12(10,11(13)16-8)17(14,15)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10+,12-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](C([C@H](O1)COC(=O)C2=CC=CC=C2)(F)F)O
InChI: InChI=1S/C14H14F2O6/c1-8(17)21-13-11(18)14(15,16)10(22-13)7-20-12(19)9-5-3-2-4-6-9/h2-6,10-11,13,18H,7H2,1H3/t10-,11-,13+/m1/s1
SMILES: CCOC(=O)C([C@@H]1C[C@@H]2[C@@H](CNC3=CC=CC=C23)C=C1)C(=O)OCC
InChI: InChI=1S/C20H25NO4/c1-3-24-19(22)18(20(23)25-4-2)13-9-10-14-12-21-17-8-6-5-7-15(17)16(14)11-13/h5-10,13-14,16,18,21H,3-4,11-12H2,1-2H3/t13-,14+,16+/m0/s1
SMILES: COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CN4C(=O)[C@H]5CC=CC[C@@H]5C4=O
InChI: InChI=1S/C23H20N2O5/c1-29-20-10-16-13-6-4-5-9-18(13)30-19(16)11-17(20)24-21(26)12-25-22(27)14-7-2-3-8-15(14)23(25)28/h2-6,9-11,14-15H,7-8,12H2,1H3,(H,24,26)/t14-,15-/m0/s1
SMILES: CC1=NC2=C(N1C3C[C@@H]4CC[C@@H](C3)N4C[C@H]5CN(C[C@@H]5C6=CC=CC=C6)C(=O)C)CCN(C2)C(=O)OC
InChI: InChI=1S/C29H39N5O3/c1-19-30-27-18-31(29(36)37-3)12-11-28(27)34(19)25-13-23-9-10-24(14-25)33(23)16-22-15-32(20(2)35)17-26(22)21-7-5-4-6-8-21/h4-8,22-26H,9-18H2,1-3H3/t22-,23+,24+,26-/m1/s1
SMILES: C1[C@H](C[C@@H]([C@H]1C(=O)NC2=C(C=C(C=C2)N3C=CN=CC3=O)F)C(=O)NC4=NC=C(C=C4)Cl)F
InChI: InChI=1S/C22H18ClF2N5O3/c23-12-1-4-19(27-10-12)29-22(33)16-8-13(24)7-15(16)21(32)28-18-3-2-14(9-17(18)25)30-6-5-26-11-20(30)31/h1-6,9-11,13,15-16H,7-8H2,(H,28,32)(H,27,29,33)/t13-,15+,16+/m1/s1
SMILES: C[C@@H]1C[C@@]2([C@H]3[C@](O3)(CO2)C)O[C@@H]4[C@H]1[C@]5([C@@H](C[C@@]67C[C@@]68CC[C@@H](C(C8CC[C@H]7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C39H58O11/c1-19-13-39(32-35(7,50-32)18-45-39)49-23-14-34(6)25-10-9-24-33(4,5)26(48-31-30(47-21(3)41)29(43)22(42)16-44-31)11-12-37(24)17-38(25,37)15-27(46-20(2)40)36(34,8)28(19)23/h19,22-32,42-43H,9-18H2,1-8H3/t19-,22-,23+,24?,25+,26+,27-,28+,29+,30-,31+,32-,34+,35-,36-,37-,38+,39+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)NNC(=S)NC3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H21ClN4O3S/c19-11-5-7-12(8-6-11)20-18(27)22-21-15(24)9-10-23-16(25)13-3-1-2-4-14(13)17(23)26/h5-8,13-14H,1-4,9-10H2,(H,21,24)(H2,20,22,27)/t13-,14-/m0/s1
SMILES: CC(C)(C)OC(=O)CCNC(=O)C[C@H]1[C@H](C(=NO1)C2=CC=C(C=C2)C#N)O
InChI: InChI=1S/C19H23N3O5/c1-19(2,3)26-16(24)8-9-21-15(23)10-14-18(25)17(22-27-14)13-6-4-12(11-20)5-7-13/h4-7,14,18,25H,8-10H2,1-3H3,(H,21,23)/t14-,18+/m0/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)OCOC)C
InChI: InChI=1S/C27H44O5/c1-17(6-9-24(29)31-5)20-7-8-21-25-22(11-13-27(20,21)3)26(2)12-10-19(28)14-18(26)15-23(25)32-16-30-4/h17-18,20-23,25H,6-16H2,1-5H3/t17-,18+,20-,21+,22+,23-,25+,26+,27-/m1/s1
SMILES: C/C=C(\C)/C(=O)O[C@H]1C=CC(=O)O[C@H]1/C=C/[C@@H]([C@H](C)O)O
InChI: InChI=1S/C15H20O6/c1-4-9(2)15(19)21-13-7-8-14(18)20-12(13)6-5-11(17)10(3)16/h4-8,10-13,16-17H,1-3H3/b6-5+,9-4+/t10-,11-,12-,13-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2[C@@H](O[C@@]([C@](O2)(C)OC)(C)OC)COS(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C24H32O10S2/c1-17-7-11-19(12-8-17)35(25,26)31-15-21-22(34-24(4,30-6)23(3,29-5)33-21)16-32-36(27,28)20-13-9-18(2)10-14-20/h7-14,21-22H,15-16H2,1-6H3/t21-,22-,23+,24+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=C(C=CC(=C7)Cl)O)C(=O)N(C5=O)C8=CC=C(C=C8)C=CC9=C(C=CC(=C9)OC)OC
InChI: InChI=1S/C49H42ClN3O7/c1-28-9-16-33(17-10-28)51-53-46(56)40-27-38-36(44(39-26-32(50)15-23-41(39)54)49(40,48(53)58)31-7-5-4-6-8-31)21-22-37-43(38)47(57)52(45(37)55)34-18-12-29(13-19-34)11-14-30-25-35(59-2)20-24-42(30)60-3/h4-21,23-26,37-38,40,43-44,51,54H,22,27H2,1-3H3/t37-,38+,40-,43-,44+,49+/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O[C@@H]([C@H]2O1)O[Si](C)(C)C(C)(C)C)CC=O)C
InChI: InChI=1S/C15H28O5Si/c1-14(2,3)21(6,7)20-13-12-11(10(17-13)8-9-16)18-15(4,5)19-12/h9-13H,8H2,1-7H3/t10-,11-,12-,13+/m0/s1
SMILES: COC(=O)[C@@H]1C[C@@H]2CN3CCC4=CC5=C(C=C4[C@@H]3C[C@@H]2CC1=O)OCO5
InChI: InChI=1S/C20H23NO5/c1-24-20(23)15-4-13-9-21-3-2-11-7-18-19(26-10-25-18)8-14(11)16(21)5-12(13)6-17(15)22/h7-8,12-13,15-16H,2-6,9-10H2,1H3/t12-,13-,15-,16+/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@H](COC(O2)(C)C)O[C@@H]([C@H](C1)O[Si](C(C)C)(C(C)C)C(C)C)COCOCC3=CC=CC=C3
InChI: InChI=1S/C30H52O6Si/c1-21(2)37(22(3)4,23(5)6)36-27-16-24(7)15-26-29(19-33-30(8,9)35-26)34-28(27)18-32-20-31-17-25-13-11-10-12-14-25/h10-14,21-24,26-29H,15-20H2,1-9H3/t24-,26+,27-,28+,29-/m0/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=C3CCOC3NC2=O)CO)O)O
InChI: InChI=1S/C12H18N2O6/c1-12(18)8(16)7(5-15)20-10(12)14-4-6-2-3-19-9(6)13-11(14)17/h4,7-10,15-16,18H,2-3,5H2,1H3,(H,13,17)/t7-,8-,9?,10-,12-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)OCC3=NN=C(O3)C4=CC=CC=C4
InChI: InChI=1S/C19H19N3O5/c23-16(10-22-18(24)13-8-4-5-9-14(13)19(22)25)26-11-15-20-21-17(27-15)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)[O-])C3=CC4=C(C=C3)C(=O)C5=C4C=CC(=C5)CN6C=[N+](C=N6)C)O
InChI: InChI=1S/C26H22N4O5/c1-13(31)22-21-9-18(23(26(34)35)30(21)25(22)33)15-4-6-17-19(8-15)16-5-3-14(7-20(16)24(17)32)10-29-12-28(2)11-27-29/h3-8,11-13,21-22,31H,9-10H2,1-2H3/t13-,21-,22-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)COC(=O)C(C)(C)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C(C)(C)C)O)OC(=O)C(C)(C)C)O)OC(=O)C(C)(C)C
InChI: InChI=1S/C37H61NO15/c1-15-16-46-28-22(38-19(2)39)26(52-32(44)36(9,10)11)25(21(50-28)18-48-31(43)35(6,7)8)51-29-24(41)27(53-33(45)37(12,13)14)23(40)20(49-29)17-47-30(42)34(3,4)5/h15,20-29,40-41H,1,16-18H2,2-14H3,(H,38,39)/t20-,21-,22-,23+,24-,25-,26-,27+,28-,29+/m1/s1
SMILES: C1[C@H]([C@H](CN1C(=O)[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC4=CC(=NC=C4N3)Cl)O)O)O
InChI: InChI=1S/C22H23ClN4O5/c23-19-8-13-7-15(25-16(13)9-24-19)21(31)26-14(6-12-4-2-1-3-5-12)20(30)22(32)27-10-17(28)18(29)11-27/h1-5,7-9,14,17-18,20,25,28-30H,6,10-11H2,(H,26,31)/t14-,17-,18+,20+/m0/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
SMILES: CC1CC2C(C(C3(O2)CCC4C5CC=C6C[C@H](CCC6(C5CC4=C3C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)NC1
InChI: InChI=1S/C33H51NO7/c1-16-11-25-27(34-14-16)18(3)33(41-25)10-8-21-22-6-5-19-12-20(7-9-32(19,4)24(22)13-23(21)17(33)2)39-31-30(38)29(37)28(36)26(15-35)40-31/h5,16,18,20-22,24-31,34-38H,6-15H2,1-4H3/t16?,18?,20-,21?,22?,24?,25?,26+,27?,28+,29-,30+,31+,32?,33?/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NCCC4=CC=C(C=C4)F)CC[C@@H]5[C@@]3(C=CC(=O)N5C)C
InChI: InChI=1S/C28H37FN2O2/c1-27-15-12-22-20(8-11-24-28(22,2)16-13-25(32)31(24)3)21(27)9-10-23(27)26(33)30-17-14-18-4-6-19(29)7-5-18/h4-7,13,16,20-24H,8-12,14-15,17H2,1-3H3,(H,30,33)/t20-,21-,22-,23+,24+,27-,28+/m0/s1
SMILES: C[C@H](CCCN)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)N)C)C
InChI: InChI=1S/C24H44N2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h16-22H,4-15,25-26H2,1-3H3/t16-,17-,18-,19+,20-,21+,22+,23+,24-/m1/s1
SMILES: CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H](C([C@@H]2O)(C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)OC)O)N(C7=CC(=C(C=C47)Br)OC)C.Cl
InChI: InChI=1S/C34H39BrN4O6.ClH/c1-5-32-11-8-13-39-14-12-33(28(32)39)21-16-22(35)26(44-3)17-25(21)38(2)29(33)34(43,30(32)41)31(42)37-24(27(40)45-4)15-19-18-36-23-10-7-6-9-20(19)23;/h6-11,16-18,24,28-30,36,41,43H,5,12-15H2,1-4H3,(H,37,42);1H/t24?,28-,29+,30+,32+,33+,34?;/m0./s1
SMILES: COC(=O)C[C@@H]1[C@H](O[C@H](CO1)C2=CC=CC=C2)CC(=O)OC
InChI: InChI=1S/C16H20O6/c1-19-15(17)8-12-13(9-16(18)20-2)22-14(10-21-12)11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,13-,14-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CC4
InChI: InChI=1S/C21H27N3O2S/c1-13-6-5-9-18(14(13)2)24-20(26)16-7-3-4-8-17(16)23-21(24)27-12-19(25)22-15-10-11-15/h3-4,7-8,13-15,18H,5-6,9-12H2,1-2H3,(H,22,25)/t13-,14+,18-/m0/s1
SMILES: CC[C@H]1[C@@H](C[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C)I
InChI: InChI=1S/C14H20INO2S/c1-4-14-13(15)9-11(3)16(14)19(17,18)12-7-5-10(2)6-8-12/h5-8,11,13-14H,4,9H2,1-3H3/t11-,13+,14-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O)N)OC(=O)C)OC(=O)C
InChI: InChI=1S/C26H37NO17/c1-9(28)36-8-16-19(37-10(2)29)20(38-11(3)30)17(27)26(43-16)44-22-18(35)21(39-12(4)31)23(40-13(5)32)25(42-15(7)34)24(22)41-14(6)33/h16-26,35H,8,27H2,1-7H3/t16-,17-,18-,19-,20-,21-,22+,23+,24+,25-,26-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@H]([C@@H]2O)O)O)O)O)N)O)O)O
InChI: InChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/t2-,3-,4-,5-,6?,7-,8-,9-,10+,11?,12-/m1/s1
SMILES: CCCCCCCCCCCC(=O)N(CCOCCO)[C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC(=O)NCC)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C53H79N3O10/c1-4-7-8-9-10-11-12-13-17-26-49(60)56(29-34-62-35-32-59)48-38-46(55-64-39-40-22-15-14-16-23-40)44-36-41(24-18-20-30-57)43(25-19-21-31-58)50-45-37-42(65-52(61)54-6-3)27-28-47(45)66-53(48,51(44)50)63-33-5-2/h5,14-16,22-23,27-28,36-37,41,43,48,50-51,57-59H,2,4,6-13,17-21,24-26,29-35,38-39H2,1,3H3,(H,54,61)/t41-,43+,48-,50+,51+,53+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)C/C=C/C(=O)OC
InChI: InChI=1S/C21H34N2O6Si/c1-14-12-23(20(26)22-19(14)25)17-11-15(9-8-10-18(24)27-5)16(29-17)13-28-30(6,7)21(2,3)4/h8,10,12,15-17H,9,11,13H2,1-7H3,(H,22,25,26)/b10-8+/t15-,16+,17+/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)N)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C19H17ClN2O/c20-13-7-4-11(5-8-13)18-15-3-1-2-14(15)16-10-12(19(21)23)6-9-17(16)22-18/h1-2,4-10,14-15,18,22H,3H2,(H2,21,23)/t14-,15+,18+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)[C@@H](CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CN7[C@@H]8CCCC[C@@H]8CC[C@@H]7C(=O)NC(C)(C)C
InChI: InChI=1S/C56H68N4O7S/c1-37-21-28-47(29-22-37)68(64,65)59-48(32-39-13-7-6-8-14-39)53(62)57-34-41-15-11-17-44(31-41)45-18-12-19-46(33-45)55-66-51(38(2)52(67-55)43-25-23-40(36-61)24-26-43)35-60-49-20-10-9-16-42(49)27-30-50(60)54(63)58-56(3,4)5/h6-8,11-15,17-19,21-26,28-29,31,33,38,42,48-52,55,59,61H,9-10,16,20,27,30,32,34-36H2,1-5H3,(H,57,62)(H,58,63)/t38-,42+,48+,49+,50+,51+,52+,55+/m0/s1
SMILES: C[C@H](CC1=CC=CC=C1)NC(=O)OC2=CC3=C(C=C2)N([C@@H]4[C@]3(CCN4C)C)C
InChI: InChI=1S/C23H29N3O2/c1-16(14-17-8-6-5-7-9-17)24-22(27)28-18-10-11-20-19(15-18)23(2)12-13-25(3)21(23)26(20)4/h5-11,15-16,21H,12-14H2,1-4H3,(H,24,27)/t16-,21-,23+/m1/s1
SMILES: CC(C)NC1=NC(=CS1)C2=NC(=C3C=CC(=CC3=C2)OC)O[C@@H]4C[C@H]5C(=O)N[C@@]6(C[C@H]6/C=C\CCOCC[C@@H](C(=O)N5C4)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C7CC7
InChI: InChI=1S/C41H53N7O10S2/c1-23(2)42-38-44-32(22-59-38)31-18-24-17-26(55-6)10-13-29(24)35(43-31)57-27-19-33-34(49)46-41(37(51)47-60(53,54)28-11-12-28)20-25(41)9-7-8-15-56-16-14-30(36(50)48(33)21-27)45-39(52)58-40(3,4)5/h7,9-10,13,17-18,22-23,25,27-28,30,33H,8,11-12,14-16,19-21H2,1-6H3,(H,42,44)(H,45,52)(H,46,49)(H,47,51)/b9-7-/t25-,27-,30+,33+,41-/m1/s1
SMILES: CC(=O)C1=CC=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]4C=CC6=CC(=C(C(=C6)OC)O)OC)Cl)C)Cl
InChI: InChI=1S/C33H30Cl2N2O8/c1-16(38)18-6-8-19(9-7-18)37-28(40)21-11-10-20-22(26(21)29(37)41)15-32(34)30(42)36(2)31(43)33(32,35)23(20)12-5-17-13-24(44-3)27(39)25(14-17)45-4/h5-10,12-14,21-23,26,39H,11,15H2,1-4H3/t21-,22+,23-,26-,32+,33-/m0/s1
SMILES: C[C@H]1CCC(=O)[C@H]([C@]1(C)CC/C(=C/CC2=C(C=C(C(=C2O)C=O)C)O)/C)C
InChI: InChI=1S/C23H32O4/c1-14(10-11-23(5)16(3)7-9-20(25)17(23)4)6-8-18-21(26)12-15(2)19(13-24)22(18)27/h6,12-13,16-17,26-27H,7-11H2,1-5H3/b14-6+/t16-,17+,23+/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)N2[C@@H]3CC[C@@H](C3)[C@H]2[C@@H](C4=CC=CC5=CC=CC=C54)O
InChI: InChI=1S/C25H27NO/c1-17(18-8-3-2-4-9-18)26-21-15-14-20(16-21)24(26)25(27)23-13-7-11-19-10-5-6-12-22(19)23/h2-13,17,20-21,24-25,27H,14-16H2,1H3/t17-,20-,21+,24-,25+/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)C3=CC=C(S3)C
InChI: InChI=1S/C18H22N2O5S/c1-11-5-3-4-8-18(11)16(23)20(17(24)19-18)9-15(22)25-10-13(21)14-7-6-12(2)26-14/h6-7,11H,3-5,8-10H2,1-2H3,(H,19,24)/t11-,18-/m1/s1
SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CCC3C1CC[C@]2(C#C)O)C5=CC=CS5
InChI: InChI=1S/C24H26O2S/c1-3-24(26)11-10-20-18-8-6-15-13-16(25)7-9-17(15)22(18)19(14-23(20,24)2)21-5-4-12-27-21/h1,4-5,12-13,18-20,26H,6-11,14H2,2H3/t18?,19-,20?,23+,24+/m1/s1
SMILES: CC(C)C1=CC=C(C=C1)[C@H]2[C@@H](N3[C@@H](C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C=CC(=C6)F)C(=O)C7=CC(=CC=C7)OC
InChI: InChI=1S/C37H30FNO4/c1-21(2)22-11-13-23(14-12-22)32-33(34(40)25-7-6-8-27(20-25)43-3)39-30-17-16-26(38)19-24(30)15-18-31(39)37(32)35(41)28-9-4-5-10-29(28)36(37)42/h4-21,31-33H,1-3H3/t31-,32+,33-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)CO
InChI: InChI=1S/C21H30O4/c1-13(23)25-15-7-10-21(12-22)14(11-15)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,15-18,22H,4-12H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1
SMILES: COC1=C(C(=CC(=C1)C=O)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3=CC=C(C=C3)F)C(=O)CCCCC=C)C(=O)NCCO
InChI: InChI=1S/C31H36FIN2O7/c1-3-4-5-6-7-28(38)35(18-20-8-10-23(32)11-9-20)25-16-22(31(40)34-12-13-36)17-26(29(25)39)42-30-24(33)14-21(19-37)15-27(30)41-2/h3,8-11,14-15,17,19,25-26,29,36,39H,1,4-7,12-13,16,18H2,2H3,(H,34,40)/t25-,26+,29+/m1/s1
SMILES: CC1=C(C=CC2=C1N[C@H]([C@H]3[C@@H]2C=CC3)C(=O)[O-])Cl
InChI: InChI=1S/C14H14ClNO2/c1-7-11(15)6-5-10-8-3-2-4-9(8)13(14(17)18)16-12(7)10/h2-3,5-6,8-9,13,16H,4H2,1H3,(H,17,18)/p-1/t8-,9+,13+/m0/s1
SMILES: C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CN(CC3=CC4=CC=CC=C4C=C3)CC5=NNN=N5)C(=O)O
InChI: InChI=1S/C24H30N6O2/c31-24(32)22-11-21-10-17(6-8-20(21)12-25-22)14-30(15-23-26-28-29-27-23)13-16-5-7-18-3-1-2-4-19(18)9-16/h1-5,7,9,17,20-22,25H,6,8,10-15H2,(H,31,32)(H,26,27,28,29)/t17-,20-,21+,22-/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC=CC=C7OCCO)C(=O)N(C5=O)CCCC(=O)O
InChI: InChI=1S/C39H39N3O8/c1-23-13-15-25(16-14-23)40-42-36(47)30-22-29-26(17-18-28-33(29)37(48)41(35(28)46)19-7-12-32(44)45)34(27-10-5-6-11-31(27)50-21-20-43)39(30,38(42)49)24-8-3-2-4-9-24/h2-6,8-11,13-17,28-30,33-34,40,43H,7,12,18-22H2,1H3,(H,44,45)/t28-,29+,30-,33-,34+,39+/m0/s1
SMILES: C[C@H]1C[C@@H]1C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N
InChI: InChI=1S/C13H16N2O5S/c1-8-5-11(8)13(17)20-7-12(16)15-9-3-2-4-10(6-9)21(14,18)19/h2-4,6,8,11H,5,7H2,1H3,(H,15,16)(H2,14,18,19)/t8-,11-/m0/s1
SMILES: CCN1C(=O)[C@H]2[C@@H](C1=O)[C@](N[C@H]2C3=CC=CC=C3O)(CCSC)C(=O)O
InChI: InChI=1S/C18H22N2O5S/c1-3-20-15(22)12-13(16(20)23)18(17(24)25,8-9-26-2)19-14(12)10-6-4-5-7-11(10)21/h4-7,12-14,19,21H,3,8-9H2,1-2H3,(H,24,25)/t12-,13-,14-,18+/m0/s1
SMILES: CN(CC1CCOCC1)C(=O)C2=NN3[C@H]([C@H]2C4=CC=CC=C4)COC5=C3C=C(C=C5)F
InChI: InChI=1S/C24H26FN3O3/c1-27(14-16-9-11-30-12-10-16)24(29)23-22(17-5-3-2-4-6-17)20-15-31-21-8-7-18(25)13-19(21)28(20)26-23/h2-8,13,16,20,22H,9-12,14-15H2,1H3/t20-,22+/m0/s1
SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CNC6=C(N=CN=C65)N)O)O)O)O)O
InChI: InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H5,28,29,30,34,42,43,44,45,46,47)/p+1/t14-,15+,16+,19-,20+,21+,26+/m0/s1
SMILES: C1CC2=CC=CC=C2[C@@]([C@H]1CC3=CC=CC=C3)(CC4=CC=CC=C4)C(C#N)C#N
InChI: InChI=1S/C27H24N2/c28-19-25(20-29)27(18-22-11-5-2-6-12-22)24(17-21-9-3-1-4-10-21)16-15-23-13-7-8-14-26(23)27/h1-14,24-25H,15-18H2/t24-,27-/m1/s1
SMILES: CON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC6=CC=CC=C6C=C5)CCCCO)CCCCO)OCC=C)N(CC7=CC8=C(C=C7)OCO8)C(=O)C9CC9
InChI: InChI=1S/C50H56N2O9/c1-3-24-59-50-46(52(49(55)34-15-16-34)30-32-14-20-44-45(25-32)58-31-57-44)29-42(51-56-2)40-27-36(12-6-8-22-53)39(13-7-9-23-54)47(48(40)50)41-28-38(19-21-43(41)61-50)60-37-18-17-33-10-4-5-11-35(33)26-37/h3-5,10-11,14,17-21,25-28,34,36,39,46-48,53-54H,1,6-9,12-13,15-16,22-24,29-31H2,2H3/t36-,39+,46-,47+,48+,50+/m0/s1
SMILES: C[C@H]1COCC2(C(O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CC=CC=N3)/F)Cl
InChI: InChI=1S/C25H33ClFNO7/c1-14-12-33-13-25(26)20(35-25)10-18(17(27)9-16-7-5-6-8-28-16)34-21(30)11-19(29)24(3,4)23(32)15(2)22(14)31/h5-9,14-15,18-20,22,29,31H,10-13H2,1-4H3/b17-9-/t14-,15+,18-,19-,20?,22-,25?/m0/s1
SMILES: CCCCCCCCCC[C@@H]1[C@H](OC(O1)(C)C)CC[C@@H]([C@@H]2CC[C@H](O2)[C@H]3CCC(=O)O3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C33H49NO9/c1-4-5-6-7-8-9-10-11-12-29-30(43-33(2,3)42-29)20-19-28(26-18-17-25(39-26)27-21-22-31(35)40-27)41-32(36)23-13-15-24(16-14-23)34(37)38/h13-16,25-30H,4-12,17-22H2,1-3H3/t25-,26-,27+,28-,29+,30+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](C(OC1=O)(C)C)[C@@H](C)C(=O)C2=CC=C(C=C2)C
InChI: InChI=1S/C19H24O5/c1-6-23-17(21)14-15(19(4,5)24-18(14)22)12(3)16(20)13-9-7-11(2)8-10-13/h7-10,12,14-15H,6H2,1-5H3/t12-,14-,15+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC(=CC=C2)F
InChI: InChI=1S/C17H22FNO3/c1-11-5-3-8-15(12(11)2)19-16(20)10-22-17(21)13-6-4-7-14(18)9-13/h4,6-7,9,11-12,15H,3,5,8,10H2,1-2H3,(H,19,20)/t11-,12-,15-/m1/s1
SMILES: CCCCCCCCCCCCNC(=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(C)C(=O)C6=CC7=C(C=C6)OCO7)OCC=C
InChI: InChI=1S/C56H74N4O12/c1-4-6-7-8-9-10-11-12-13-16-29-57-55(64)71-43-26-28-48-46(35-43)52-44(20-15-18-31-62)40(19-14-17-30-61)33-45-47(58-70-37-39-21-24-42(25-22-39)60(65)66)36-51(56(72-48,53(45)52)69-32-5-2)59(3)54(63)41-23-27-49-50(34-41)68-38-67-49/h5,21-28,33-35,40,44,51-53,61-62H,2,4,6-20,29-32,36-38H2,1,3H3,(H,57,64)/t40-,44+,51-,52+,53+,56+/m0/s1
SMILES: C1=CC=C(C=C1)CC(=O)OCCN2C(=O)[C@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C28H23NO4/c30-22(16-17-8-2-1-3-9-17)33-15-14-29-27(31)25-23-18-10-4-5-11-19(18)24(26(25)28(29)32)21-13-7-6-12-20(21)23/h1-13,23-26H,14-16H2/t23?,24?,25-,26-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([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)OCC#CCC4=CC=C(C=C4)C5=CSN=N5)C)C)NC(=O)O2)C
InChI: InChI=1S/C42H58N4O10S/c1-11-32-42(8)36(43-40(51)56-42)25(4)33(47)23(2)21-41(7,52-19-13-12-14-28-15-17-29(18-16-28)30-22-57-45-44-30)37(26(5)34(48)27(6)38(50)54-32)55-39-35(49)31(46(9)10)20-24(3)53-39/h15-18,22-27,31-32,35-37,39,49H,11,14,19-21H2,1-10H3,(H,43,51)/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1
SMILES: CCCCCCCCN1C[C@@H]2[C@H](C1)[C@H]3C(=C([C@@H]2C4=CC=CC=C34)C)C
InChI: InChI=1S/C24H35N/c1-4-5-6-7-8-11-14-25-15-21-22(16-25)24-18(3)17(2)23(21)19-12-9-10-13-20(19)24/h9-10,12-13,21-24H,4-8,11,14-16H2,1-3H3/t21-,22+,23-,24+
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)N=C3N(C=CS3)CC4=CC=CC=C4
InChI: InChI=1S/C21H23N3O3S/c25-18(10-11-24-19(26)16-8-4-5-9-17(16)20(24)27)22-21-23(12-13-28-21)14-15-6-2-1-3-7-15/h1-3,6-7,12-13,16-17H,4-5,8-11,14H2/t16-,17-/m0/s1
SMILES: CCCN1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C21H20N6O2/c1-2-8-26-9-7-16-17(10-22)20(25)21(12-23,13-24)19(18(16)11-26)14-3-5-15(6-4-14)27(28)29/h3-7,18-19H,2,8-9,11,25H2,1H3/t18-,19+/m1/s1
SMILES: C=CCOC(=O)N[C@@H]1[C@H]([C@@H]([C@@H]2CO[C@H]1O2)O)O
InChI: InChI=1S/C10H15NO6/c1-2-3-15-10(14)11-6-8(13)7(12)5-4-16-9(6)17-5/h2,5-9,12-13H,1,3-4H2,(H,11,14)/t5-,6+,7+,8+,9-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC6=CC=CC=C65)O)C(=O)N(C4=O)C7=CC=C(C=C7)N8CCOCC8)C(=O)N(C2=O)C9=CC=CC=C9
InChI: InChI=1S/C41H37N3O6/c1-41-32(38(47)44(40(41)49)26-8-3-2-4-9-26)23-31-29(36(41)35-28-10-6-5-7-24(28)11-18-33(35)45)16-17-30-34(31)39(48)43(37(30)46)27-14-12-25(13-15-27)42-19-21-50-22-20-42/h2-16,18,30-32,34,36,45H,17,19-23H2,1H3/t30-,31+,32-,34-,36+,41+/m0/s1
SMILES: CC1(OC[C@H]2[C@@H](O1)[C@H]3[C@@H]([C@@H](C2=C)O)OC(O3)(C)C)C
InChI: InChI=1S/C14H22O5/c1-7-8-6-16-13(2,3)17-10(8)12-11(9(7)15)18-14(4,5)19-12/h8-12,15H,1,6H2,2-5H3/t8-,9-,10-,11-,12+/m1/s1
SMILES: C/C/1=C\C2=C[C@]([C@@H]3[C@@H](C[C@H](C4=C[C@H](C1)OC4=O)OC(=O)C)C(=C)[C@H](O3)OC)(C(=O)O2)C
InChI: InChI=1S/C23H26O8/c1-11-6-14-8-17(20(25)29-14)18(28-13(3)24)9-16-12(2)21(27-5)31-19(16)23(4)10-15(7-11)30-22(23)26/h7-8,10,14,16,18-19,21H,2,6,9H2,1,3-5H3/b11-7+/t14-,16-,18+,19-,21-,23+/m0/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)OC(=O)NC5=CC(=CC(=C5)OC)OC
InChI: InChI=1S/C29H33N3O5/c1-5-18-17-32-11-9-19(18)12-27(32)28(24-8-10-30-26-7-6-21(34-2)16-25(24)26)37-29(33)31-20-13-22(35-3)15-23(14-20)36-4/h5-8,10,13-16,18-19,27-28H,1,9,11-12,17H2,2-4H3,(H,31,33)/t18-,19-,27-,28+/m0/s1