EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@H]3CCCN3)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O
InChI: InChI=1S/C47H72N6O12/c1-11-27(6)38-36(54)24-37(55)65-41(26(4)5)40(56)28(7)42(57)49-33(22-25(2)3)45(60)53-21-13-15-34(53)46(61)52(9)35(23-30-16-18-31(63-10)19-17-30)47(62)64-29(8)39(44(59)50-38)51-43(58)32-14-12-20-48-32/h16-19,25-29,32-36,38-39,41,48,54H,11-15,20-24H2,1-10H3,(H,49,57)(H,50,59)(H,51,58)/t27-,28-,29+,32+,33-,34-,35-,36-,38+,39-,41-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@H]1CC[C@@H]([C@@H]2CO)[C@@]3(CC[C@@H](C[C@H]3O)OC(C)(C)C)C
InChI: InChI=1S/C29H54O3/c1-19(2)9-8-10-20(3)22-11-12-24-23(22)13-14-26(25(24)18-30)29(7)16-15-21(17-27(29)31)32-28(4,5)6/h19-27,30-31H,8-18H2,1-7H3/t20-,21+,22-,23-,24-,25-,26+,27-,29+/m1/s1
SMILES: CC(C12CC3CC(C1)CC(C3)C2)NC(=O)[C@H]4[C@H]([C@@H]([C@@H]5N4C6=CC=CC=C6C7=CC=CC=C57)C#N)C#N
InChI: InChI=1S/C31H32N4O/c1-18(31-13-19-10-20(14-31)12-21(11-19)15-31)34-30(36)29-26(17-33)25(16-32)28-24-8-3-2-6-22(24)23-7-4-5-9-27(23)35(28)29/h2-9,18-21,25-26,28-29H,10-15H2,1H3,(H,34,36)/t18?,19?,20?,21?,25-,26-,28+,29+,31?/m0/s1
SMILES: CC(=O)OC[C@@]12[C@H](CC[C@]([C@@]13[C@@H]([C@@H](C[C@H]2OC(=O)/C=C/C4=CC=CC=C4)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C
InChI: InChI=1S/C30H38O10/c1-18(31)36-17-29-23(37-19(2)32)14-15-28(6,35)30(29)26(38-20(3)33)22(27(4,5)40-30)16-24(29)39-25(34)13-12-21-10-8-7-9-11-21/h7-13,22-24,26,35H,14-17H2,1-6H3/b13-12+/t22-,23+,24-,26-,28+,29+,30+/m1/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=C7)O)C(=O)N(C5=O)CCCCCC(=O)O
InChI: InChI=1S/C39H39N3O7/c1-23-14-16-26(17-15-23)40-42-36(47)31-22-30-28(18-19-29-33(30)37(48)41(35(29)46)20-7-3-6-13-32(44)45)34(24-9-8-12-27(43)21-24)39(31,38(42)49)25-10-4-2-5-11-25/h2,4-5,8-12,14-18,21,29-31,33-34,40,43H,3,6-7,13,19-20,22H2,1H3,(H,44,45)/t29-,30+,31-,33-,34-,39+/m0/s1
SMILES: CC(C)OC1=NC2=C(C=CC=C2F)C(=C1)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@@H]5/C=C\CCCC[C@@H](CC(=O)N4C3)NC(=O)OC6CCCC6)C(=O)O
InChI: InChI=1S/C36H45FN4O8/c1-21(2)47-30-18-29(26-14-9-15-27(37)32(26)39-30)48-25-17-28-33(43)40-36(34(44)45)19-22(36)10-5-3-4-6-11-23(16-31(42)41(28)20-25)38-35(46)49-24-12-7-8-13-24/h5,9-10,14-15,18,21-25,28H,3-4,6-8,11-13,16-17,19-20H2,1-2H3,(H,38,46)(H,40,43)(H,44,45)/b10-5-/t22-,23-,25+,28-,36+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3[C@@H]2C(CCC3)OS(=O)(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C20H23NO5S2/c1-14-6-10-16(11-7-14)27(22,23)21-18-4-3-5-19(20(18)21)26-28(24,25)17-12-8-15(2)9-13-17/h6-13,18-20H,3-5H2,1-2H3/t18-,19?,20-,21?/m1/s1
SMILES: C1=CC=NC(=C1)S[C@@H]2[C@H](C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C23H17ClN2O2S2/c24-16-10-12-17(13-11-16)30(27,28)26-22-18-7-3-5-15-6-4-8-19(21(15)18)23(22)29-20-9-1-2-14-25-20/h1-14,22-23,26H/t22-,23-/m0/s1
SMILES: CC(=O)OC[C@H]1[C@H]([C@H]([C@H](N[C@H]1COC(=O)C)COC(=O)C)OC(=O)C)COC(=O)C
InChI: InChI=1S/C19H29NO10/c1-10(21)26-6-15-16(7-27-11(2)22)19(30-14(5)25)18(9-29-13(4)24)20-17(15)8-28-12(3)23/h15-20H,6-9H2,1-5H3/t15-,16+,17-,18+,19+/m0/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2[C@H](OC([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=C(C=C4)OC)O)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C48H48O8/c1-50-41-27-23-36(24-28-41)32-52-44-43(34-55-48(38-17-9-4-10-18-38,39-19-11-5-12-20-39)40-21-13-6-14-22-40)56-47(49)46(45(44)53-31-35-15-7-3-8-16-35)54-33-37-25-29-42(51-2)30-26-37/h3-30,43-47,49H,31-34H2,1-2H3/t43-,44-,45+,46-,47?/m1/s1
SMILES: C1=CC=[N+]2[C@@H]3[C@H]4C5=C(C=C(C=C5)Cl)[C@@H]([C@H](C2=C1)C6=C3C=CC(=C6)Cl)C7=CC=CC=[N+]47.[Br-].[Br-]
InChI: InChI=1S/C26H18Cl2N2.2BrH/c27-15-7-9-17-19(13-15)23-21-5-1-3-11-29(21)25(17)26-18-10-8-16(28)14-20(18)24(23)22-6-2-4-12-30(22)26;;/h1-14,23-26H;2*1H/q+2;;/p-2/t23-,24+,25-,26+;;
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@]1(N)O)CO)O)O
InChI: InChI=1S/C8H16N2O6/c1-3(12)10-7-6(14)5(13)4(2-11)16-8(7,9)15/h4-7,11,13-15H,2,9H2,1H3,(H,10,12)/t4-,5-,6+,7-,8+/m1/s1
SMILES: C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]([C@@H](N2[C@@H]([C@]13C4=C(C=CC(=C4)C#CC5(CCCCCC5)O)N(C3=O)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])C7=CC=CC=C7OCCO)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C55H52N4O11/c1-2-31-56-50(61)45-47-51(62)70-48(39-17-9-6-10-18-39)46(38-15-7-5-8-16-38)58(47)49(41-19-11-12-20-44(41)68-33-32-60)55(45)42-34-36(27-30-54(65)28-13-3-4-14-29-54)23-26-43(42)57(52(55)63)53(64)69-35-37-21-24-40(25-22-37)59(66)67/h2,5-12,15-26,34,45-49,60,65H,1,3-4,13-14,28-29,31-33,35H2,(H,56,61)/t45-,46-,47-,48+,49+,55-/m0/s1
SMILES: C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4C3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C(=O)O)C)(C)C)O
InChI: InChI=1S/C30H46O5/c1-25(2)13-14-29(23(32)33)15-16-30(24(34)35)18(19(29)17-25)7-8-21-27(5)11-10-22(31)26(3,4)20(27)9-12-28(21,30)6/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20?,21?,22-,27-,28+,29-,30?/m0/s1
SMILES: C1CO[C@@H]2[C@H]1[C@H](NC3=C2C=C(C=C3)Br)C4=CC5=NC4=C(C6=CC=C([N-]6)C(=C7C=CC(=N7)C(=C8C=CC(=C5C9=CC=CC=C9)[N-]8)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1.[Ni+2]
InChI: InChI=1S/C55H38BrN5O.Ni/c56-37-21-22-41-39(31-37)55-38(29-30-62-55)53(60-41)40-32-48-51(35-17-9-3-10-18-35)46-26-25-44(58-46)49(33-13-5-1-6-14-33)42-23-24-43(57-42)50(34-15-7-2-8-16-34)45-27-28-47(59-45)52(54(40)61-48)36-19-11-4-12-20-36;/h1-28,31-32,38,53,55,60H,29-30H2;/q-2;+2/t38-,53+,55-;/m1./s1
SMILES: C[C@]12CC(=O)C3([C@H]([C@@H]1CC[C@H]2C=C)CCC4=CC=CC=C43)O
InChI: InChI=1S/C20H24O2/c1-3-14-9-11-16-17-10-8-13-6-4-5-7-15(13)20(17,22)18(21)12-19(14,16)2/h3-7,14,16-17,22H,1,8-12H2,2H3/t14-,16+,17+,19-,20?/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NCC(CO)O
InChI: InChI=1S/C13H19N5O6/c19-2-6(21)1-14-11-8-12(16-4-15-11)18(5-17-8)13-10(23)9(22)7(3-20)24-13/h4-7,9-10,13,19-23H,1-3H2,(H,14,15,16)/t6?,7-,9-,10-,13-/m1/s1
SMILES: C1CCO[C@]2(C1)[C@@H]([C@H]([C@H]([C@@H]2O)N3C=NC4=C3N=CN=C4Cl)CO)O
InChI: InChI=1S/C15H19ClN4O4/c16-13-9-14(18-6-17-13)20(7-19-9)10-8(5-21)11(22)15(12(10)23)3-1-2-4-24-15/h6-8,10-12,21-23H,1-5H2/t8-,10+,11+,12-,15+/m0/s1
SMILES: COC1=CC=C(C=C1)CO[C@H]2CC(=O)N3[C@H]2[C@H]([C@H](C3)O)O
InChI: InChI=1S/C15H19NO5/c1-20-10-4-2-9(3-5-10)8-21-12-6-13(18)16-7-11(17)15(19)14(12)16/h2-5,11-12,14-15,17,19H,6-8H2,1H3/t11-,12-,14+,15-/m0/s1
SMILES: C1C[C@@H]2C[C@@H](N([C@@H]2C1)CCN3[C@@H]4CCC[C@@H]4C[C@@H]3C(C5=CC=CC=C5)(C6=CC=CC=C6)O)C(C7=CC=CC=C7)(C8=CC=CC=C8)O
InChI: InChI=1S/C42H48N2O2/c45-41(33-17-5-1-6-18-33,34-19-7-2-8-20-34)39-29-31-15-13-25-37(31)43(39)27-28-44-38-26-14-16-32(38)30-40(44)42(46,35-21-9-3-10-22-35)36-23-11-4-12-24-36/h1-12,17-24,31-32,37-40,45-46H,13-16,25-30H2/t31-,32-,37-,38-,39-,40-/m1/s1
SMILES: CCCN(CC1=CC=C(C=C1)C)C(=O)CN2C(=O)[C@@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C22H31N3O3/c1-4-13-24(14-18-10-8-16(2)9-11-18)19(26)15-25-20(27)22(23-21(25)28)12-6-5-7-17(22)3/h8-11,17H,4-7,12-15H2,1-3H3,(H,23,28)/t17-,22-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=C(C=C5OC)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7)C(=O)N(C2=O)C8=CC(=C(C=C8)F)Cl
InChI: InChI=1S/C42H34ClFN2O8/c1-42-29(39(50)46(41(42)52)24-13-16-31(44)30(43)17-24)20-28-26(36(42)35-32(47)18-25(53-2)19-33(35)54-3)14-15-27-34(28)40(51)45(38(27)49)23-11-9-22(10-12-23)37(48)21-7-5-4-6-8-21/h4-14,16-19,27-29,34,36,47H,15,20H2,1-3H3/t27-,28+,29-,34-,36+,42+/m0/s1
SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C(=O)N[C@@H]4[C@@H](C5C6=CC=CC=C6C4C7=CC=CC=C57)NC(=O)C8=CC=CC=C8P(C9=CC=CC=C9)C1=CC=CC=C1
InChI: InChI=1S/C54H42N2O2P2/c57-53(45-33-17-19-35-47(45)59(37-21-5-1-6-22-37)38-23-7-2-8-24-38)55-51-49-41-29-13-15-31-43(41)50(44-32-16-14-30-42(44)49)52(51)56-54(58)46-34-18-20-36-48(46)60(39-25-9-3-10-26-39)40-27-11-4-12-28-40/h1-36,49-52H,(H,55,57)(H,56,58)/t49?,50?,51-,52+
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C3=C(C=C2)C(=C(C(=O)C3)NC(=O)C4=CC(=C(C=C4)O)CC=C(C)C)O)OC)O)O)O
InChI: InChI=1S/C29H33NO10/c1-13(2)5-6-15-11-16(7-9-19(15)31)28(37)30-22-20(32)12-18-17(24(22)34)8-10-21(27(18)38-4)40-29-26(36)25(35)23(33)14(3)39-29/h5,7-11,14,23,25-26,29,31,33-36H,6,12H2,1-4H3,(H,30,37)/t14-,23-,25+,26-,29+/m1/s1
SMILES: C[C@@H](C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC(=N2)C(=O)N)O)O)OCC3=CC=CC=C3
InChI: InChI=1S/C18H22N4O7/c1-10(27-7-11-5-3-2-4-6-11)18(26)28-8-12-13(23)14(24)17(29-12)22-9-20-16(21-22)15(19)25/h2-6,9-10,12-14,17,23-24H,7-8H2,1H3,(H2,19,25)/t10-,12+,13+,14+,17+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)CC(=O)NCC4=CC=CO4
InChI: InChI=1S/C16H16N2O4/c19-12(17-7-11-2-1-5-22-11)8-18-15(20)13-9-3-4-10(6-9)14(13)16(18)21/h1-5,9-10,13-14H,6-8H2,(H,17,19)/t9-,10+,13-,14-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)C5=CC=CC=C5)CN6CCN(CC6)C7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C43H44N4O6/c1-30-40(28-45-23-25-46(26-24-45)37-19-21-38(22-20-37)47(50)51)52-43(53-41(30)33-13-11-31(29-48)12-14-33)35-17-15-32(16-18-35)39-10-6-5-9-36(39)27-44-42(49)34-7-3-2-4-8-34/h2-22,30,40-41,43,48H,23-29H2,1H3,(H,44,49)/t30-,40+,41+,43+/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)CCC(=O)O)CSC4=CC=CC=C4OC
InChI: InChI=1S/C31H35NO7S/c1-20-26(19-40-27-6-4-3-5-25(27)37-2)38-31(39-30(20)23-11-9-22(18-33)10-12-23)24-13-7-21(8-14-24)17-32-28(34)15-16-29(35)36/h3-14,20,26,30-31,33H,15-19H2,1-2H3,(H,32,34)(H,35,36)/t20-,26+,30+,31+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3C[C@@H]([C@@H]2O)CC3(CO)CO
InChI: InChI=1S/C14H20N2O5/c1-7-4-16(13(21)15-12(7)20)10-9-2-8(11(10)19)3-14(9,5-17)6-18/h4,8-11,17-19H,2-3,5-6H2,1H3,(H,15,20,21)/t8-,9-,10+,11+/m1/s1
SMILES: CC1=C2CC[C@@H]3[C@@H](C2=CC=C1)CC[C@]4([C@H]3CC[C@@H]4[C@H](C)C[C@@H](C(=C)C(C)C)C(=O)OC)C
InChI: InChI=1S/C30H44O2/c1-18(2)21(5)26(29(31)32-7)17-20(4)27-13-14-28-25-12-11-22-19(3)9-8-10-23(22)24(25)15-16-30(27,28)6/h8-10,18,20,24-28H,5,11-17H2,1-4,6-7H3/t20-,24-,25-,26+,27-,28+,30-/m1/s1
SMILES: CC(C)N(C(C)C)P(OCCC#N)OCC1=CC=C(C=C1)[Si](C(C)C)(C(C)C)O[C@H]2C[C@@H](O[C@@H]2COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)N6C=NC7=C(N=CN=C76)N
InChI: InChI=1S/C53H68N7O7PSi/c1-36(2)60(37(3)4)68(64-30-14-29-54)65-32-40-17-27-46(28-18-40)69(38(5)6,39(7)8)67-47-31-49(59-35-58-50-51(55)56-34-57-52(50)59)66-48(47)33-63-53(41-15-12-11-13-16-41,42-19-23-44(61-9)24-20-42)43-21-25-45(62-10)26-22-43/h11-13,15-28,34-39,47-49H,14,30-33H2,1-10H3,(H2,55,56,57)/t47-,48+,49+,68?/m0/s1
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl
InChI: InChI=1S/C13H21ClN2O5S/c1-21-13(18)9-2-4-16(5-3-9)6-12(17)15-11-8-22(19,20)7-10(11)14/h9-11H,2-8H2,1H3,(H,15,17)/p+1/t10-,11-/m1/s1
SMILES: CCCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)SC
InChI: InChI=1S/C22H23N5S/c1-3-8-27-9-7-17-18(11-23)21(26)22(13-24,14-25)20(19(17)12-27)15-5-4-6-16(10-15)28-2/h4-7,10,19-20H,3,8-9,12,26H2,1-2H3/t19-,20+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)N/N=C/C3=CC=CC=C3)O
InChI: InChI=1S/C18H20N4O6/c1-11-9-22(17(25)20-16(11)24)15-7-13(23)14(28-15)10-27-18(26)21-19-8-12-5-3-2-4-6-12/h2-6,8-9,13-15,23H,7,10H2,1H3,(H,21,26)(H,20,24,25)/b19-8+/t13-,14+,15+/m0/s1
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)CC3=CC=CC=C3
InChI: InChI=1S/C22H21N5O2/c1-2-29-21(28)27-9-8-16-17(11-23)20(26)22(13-24,14-25)19(18(16)12-27)10-15-6-4-3-5-7-15/h3-8,17-19,26H,2,9-10,12H2,1H3/t17?,18-,19-/m0/s1
SMILES: C1CCC2(C1)O[C@@H]3CO[C@]4(COCCO4)[C@H]([C@@H]3O2)O
InChI: InChI=1S/C13H20O6/c14-11-10-9(18-12(19-10)3-1-2-4-12)7-17-13(11)8-15-5-6-16-13/h9-11,14H,1-8H2/t9-,10-,11+,13-/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@H]2C(=O)O[C@H]4C3
InChI: InChI=1S/C16H17NO3/c1-8-2-4-10(5-3-8)17-15(18)13-9-6-11-12(7-9)20-16(19)14(11)13/h2-5,9,11-14H,6-7H2,1H3,(H,17,18)/t9-,11+,12+,13-,14-/m1/s1
SMILES: CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CCC(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=[N+]4C)O)C)C5=CC=CC=C5)CC6=CC=C(C=C6)N(C)C)C
InChI: InChI=1S/C46H56N8O10/c1-7-32-43(60)53-23-11-15-33(53)44(61)52(6)35(25-28-17-19-30(20-18-28)50(3)4)45(62)54-24-21-31(55)26-34(54)40(57)49-38(29-13-9-8-10-14-29)46(63)64-27(2)37(41(58)47-32)48-42(59)39-36(56)16-12-22-51(39)5/h8-10,12-14,16-20,22,27,32-35,37-38H,7,11,15,21,23-26H2,1-6H3,(H3-,47,48,49,56,57,58,59)/p+1/t27-,32-,33+,34+,35+,37+,38+/m1/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)OCCOCCOC
InChI: InChI=1S/C20H27N3O8/c1-10-15(24)14-13(16(25)17(10)30-7-6-29-5-4-27-2)11(9-31-19(21)26)20(28-3)18-12(22-18)8-23(14)20/h11-12,18,22H,4-9H2,1-3H3,(H2,21,26)/t11-,12+,18+,20-/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)OC3=CC4=C(C=C3)OC5=CC=CC=C54
InChI: InChI=1S/C23H19NO5/c25-21(11-12-24-22(26)16-6-1-2-7-17(16)23(24)27)28-14-9-10-20-18(13-14)15-5-3-4-8-19(15)29-20/h1-5,8-10,13,16-17H,6-7,11-12H2/t16-,17+
SMILES: C1=C[C@H]2[C@@H]([C@H]([C@@H]1O2)C(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)[O-]
InChI: InChI=1S/C14H11Cl2NO4/c15-7-2-1-6(5-8(7)16)17-13(18)11-9-3-4-10(21-9)12(11)14(19)20/h1-5,9-12H,(H,17,18)(H,19,20)/p-1/t9-,10+,11+,12+/m1/s1
SMILES: CC1=CC(=CC(=C1)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C
InChI: InChI=1S/C15H19NO7/c1-6-3-7(2)5-8(4-6)13(20)16-14-11(19)9(17)10(18)12(23-14)15(21)22/h3-5,9-12,14,17-19H,1-2H3,(H,16,20)(H,21,22)/t9-,10-,11+,12-,14+/m0/s1
SMILES: CC(C)C1=C2[C@H]3CCC4[C@@H]5[C@@H]([C@@]3(CC[C@]2(CC1)C)C)O[C@H]6C5([C@H]([C@@H](CO6)O)O[C@@H]4O)O
InChI: InChI=1S/C25H38O6/c1-12(2)13-7-8-23(3)9-10-24(4)15(17(13)23)6-5-14-18-20(24)31-22-25(18,28)19(30-21(14)27)16(26)11-29-22/h12,14-16,18-22,26-28H,5-11H2,1-4H3/t14?,15-,16-,18-,19+,20+,21+,22+,23-,24-,25?/m1/s1
SMILES: C1CC[C@@H]([C@H](C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)F)C(=O)[O-]
InChI: InChI=1S/C21H21FN2O4/c22-13-9-11-14(12-10-13)23-20(26)17-7-3-4-8-18(17)24-19(25)15-5-1-2-6-16(15)21(27)28/h3-4,7-12,15-16H,1-2,5-6H2,(H,23,26)(H,24,25)(H,27,28)/p-1/t15-,16-/m0/s1
SMILES: C=C[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C29H32O5/c1-2-25-27(31-19-22-12-6-3-7-13-22)29(33-21-24-16-10-5-11-17-24)28(26(18-30)34-25)32-20-23-14-8-4-9-15-23/h2-17,25-30H,1,18-21H2/t25-,26+,27-,28+,29+/m0/s1
SMILES: CCN(CC)CCCC(C)N[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O
InChI: InChI=1S/C18H34N4O3/c1-5-22(6-2)9-7-8-12(3)20-16-11-14(18(24)25)10-15(19)17(16)21-13(4)23/h11-12,15-17,20H,5-10,19H2,1-4H3,(H,21,23)(H,24,25)/t12?,15-,16+,17+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C=CC4=C(C(=O)CC[C@]34C)N
InChI: InChI=1S/C19H25NO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h3-4,11-13H,5-10,20H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1
SMILES: CC(=O)[C@@H]1CC[C@@H]2[C@@]1(CC(=O)[C@@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14-,15-,16-,17-,19-,20-,21+/m0/s1
SMILES: CC(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1OC(C)(C)C)CO)O)O
InChI: InChI=1S/C12H23NO6/c1-6(15)13-8-10(17)9(16)7(5-14)18-11(8)19-12(2,3)4/h7-11,14,16-17H,5H2,1-4H3,(H,13,15)/t7-,8-,9-,10-,11+/m0/s1
SMILES: CC(C)N[C@@H]1CCC2=C([C@H]1O)C=CC(=C2C#N)OCC3=CC=CC=C3
InChI: InChI=1S/C21H24N2O2/c1-14(2)23-19-10-8-16-17(21(19)24)9-11-20(18(16)12-22)25-13-15-6-4-3-5-7-15/h3-7,9,11,14,19,21,23-24H,8,10,13H2,1-2H3/t19-,21-/m1/s1
SMILES: COC(=O)[C@@H]1[C@H](C2=C(NC(=O)S2)S[C@@H]1C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C16H14N2O7S2/c1-24-14(19)10-9(7-4-3-5-8(6-7)18(22)23)11-13(17-16(21)27-11)26-12(10)15(20)25-2/h3-6,9-10,12H,1-2H3,(H,17,21)/t9-,10-,12+/m1/s1
SMILES: C[C@H]1[C@H](OC(=O)N1C(=O)[C@H](CCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)[C@@H](C#C[Si](C)(C)C)[C@@H](C)OCC4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C45H55NO5Si2/c1-34-42(37-23-15-10-16-24-37)51-44(48)46(34)43(47)41(40(30-32-52(6,7)8)35(2)49-33-36-21-13-9-14-22-36)29-31-50-53(45(3,4)5,38-25-17-11-18-26-38)39-27-19-12-20-28-39/h9-28,34-35,40-42H,29,31,33H2,1-8H3/t34-,35+,40-,41+,42-/m0/s1
SMILES: C[C@]12C[C@@H](C3=C4CCC5(C[C@@]4(CC[C@H]3[C@@H]1CCC2=O)O)OCCO5)C6=CC=C(C=C6)SC
InChI: InChI=1S/C27H34O4S/c1-25-15-20(17-3-5-18(32-2)6-4-17)24-19(21(25)7-8-23(25)28)9-11-26(29)16-27(12-10-22(24)26)30-13-14-31-27/h3-6,19-21,29H,7-16H2,1-2H3/t19-,20+,21-,25-,26+/m0/s1
SMILES: CC(=C)[C@@H]1C[C@H](N2[C@@H]([C@H]1O)[C@H](C2=O)OC)C(=O)OC
InChI: InChI=1S/C13H19NO5/c1-6(2)7-5-8(13(17)19-4)14-9(10(7)15)11(18-3)12(14)16/h7-11,15H,1,5H2,2-4H3/t7-,8-,9-,10-,11+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@H](O1)OCC2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O)O)O
InChI: InChI=1S/C17H24O9/c18-6-11-13(21)14(22)16(25-11)26-15-12(20)10(19)8-24-17(15)23-7-9-4-2-1-3-5-9/h1-5,10-22H,6-8H2/t10-,11+,12+,13+,14-,15-,16+,17+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(=O)C2=C3C(=CC=C2)N(C4=C(N3)C=CC(=C4)C(=O)C5=CC=CC=C5)CC=C(C)C)O)O)O
InChI: InChI=1S/C31H32N2O7/c1-17(2)14-15-33-23-11-7-10-21(30(38)40-31-29(37)28(36)26(34)18(3)39-31)25(23)32-22-13-12-20(16-24(22)33)27(35)19-8-5-4-6-9-19/h4-14,16,18,26,28-29,31-32,34,36-37H,15H2,1-3H3/t18-,26-,28+,29+,31-/m0/s1
SMILES: C1CCC(CC1)CNC(=O)[C@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C17H25NO3/c19-16(18-10-11-4-2-1-3-5-11)14-12-6-8-13(9-7-12)15(14)17(20)21/h6,8,11-15H,1-5,7,9-10H2,(H,18,19)(H,20,21)/t12-,13+,14+,15+/m1/s1
SMILES: C1C[C@H]2C=C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=C(C=CC(=C4)Cl)Cl
InChI: InChI=1S/C16H13Cl2NO2/c17-10-5-6-11(18)12(7-10)19-15(20)13-8-1-2-9(4-3-8)14(13)16(19)21/h1-2,5-9,13-14H,3-4H2/t8-,9+,13-,14-/m0/s1
SMILES: C[C@@]12CC[C@@H]([C@]1([C@H](C=C3C2=CC[C@@H]4[C@@]3(C[C@H]([C@@H](C4(C)C)O)O)C)O)C)[C@@H](CC[C@H](C(C)(C)O)O)CO
InChI: InChI=1S/C30H50O6/c1-26(2)22-10-9-19-20(28(22,5)15-21(32)25(26)35)14-24(34)30(7)18(12-13-29(19,30)6)17(16-31)8-11-23(33)27(3,4)36/h9,14,17-18,21-25,31-36H,8,10-13,15-16H2,1-7H3/t17-,18+,21+,22-,23+,24-,25-,28+,29-,30-/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=C6C=CC=CC6=CC7=CC=CC=C75
InChI: InChI=1S/C32H24N2O3/c1-20-15-17-23(18-16-20)33-31(35)28-29(34(37-30(28)32(33)36)24-11-3-2-4-12-24)27-25-13-7-5-9-21(25)19-22-10-6-8-14-26(22)27/h2-19,28-30H,1H3/t28-,29-,30-/m0/s1
SMILES: C1CC1C[NH+]2CC[C@]34[C@@H]5[C@H]2CC6=C3C(=C(C=C6)O)O[C@H]4C(=O)[C@H](C5)C7=CC=CC=C7.[Cl-]
InChI: InChI=1S/C26H27NO3.ClH/c28-21-9-8-17-12-20-19-13-18(16-4-2-1-3-5-16)23(29)25-26(19,22(17)24(21)30-25)10-11-27(20)14-15-6-7-15;/h1-5,8-9,15,18-20,25,28H,6-7,10-14H2;1H/t18-,19+,20-,25+,26+;/m1./s1
SMILES: CC(C)N(C(C)C)P(=S)([C@]1([C@@H](O1)C2=CC=C(C=C2)F)[Si](C)(C)C)N(C(C)C)C(C)C
InChI: InChI=1S/C23H42FN2OPSSi/c1-16(2)25(17(3)4)28(29,26(18(5)6)19(7)8)23(30(9,10)11)22(27-23)20-12-14-21(24)15-13-20/h12-19,22H,1-11H3/t22-,23+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9
InChI: InChI=1S/C47H37ClFN3O8/c1-59-37-22-27(23-38(60-2)42(37)54)40-33-20-21-34-39(45(57)51(43(34)55)32-18-8-26(9-19-32)41(53)25-6-4-3-5-7-25)35(33)24-36-44(56)52(50-31-16-14-30(49)15-17-31)46(58)47(36,40)28-10-12-29(48)13-11-28/h3-20,22-23,34-36,39-40,50,54H,21,24H2,1-2H3/t34-,35+,36-,39-,40-,47+/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)O[C@@H](C)C(=O)NC3(CCCCC3)C#N
InChI: InChI=1S/C21H30N4O5/c1-14-8-4-7-11-21(14)18(28)25(19(29)24-21)12-16(26)30-15(2)17(27)23-20(13-22)9-5-3-6-10-20/h14-15H,3-12H2,1-2H3,(H,23,27)(H,24,29)/t14-,15-,21-/m0/s1
SMILES: C[C@H]1[C@@H]\2C[C@H](C1(C)C)C/C2=N/NC(=O)C3=CC=NC=C3
InChI: InChI=1S/C16H21N3O/c1-10-13-8-12(16(10,2)3)9-14(13)18-19-15(20)11-4-6-17-7-5-11/h4-7,10,12-13H,8-9H2,1-3H3,(H,19,20)/b18-14-/t10-,12-,13-/m0/s1
SMILES: C1CC2=C3C(=CC(=C2)C4=C(C=C(C=C4)Cl)Cl)[C@H]5CNCC[C@H]5N3C1
InChI: InChI=1S/C20H20Cl2N2/c21-14-3-4-15(18(22)10-14)13-8-12-2-1-7-24-19-5-6-23-11-17(19)16(9-13)20(12)24/h3-4,8-10,17,19,23H,1-2,5-7,11H2/t17-,19-/m1/s1
SMILES: C/C(=C\C(=O)C)/N1[C@H]([C@@H]2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C23H23N3O4/c1-14(11-15(2)27)25-23(17-5-4-6-18(12-17)26(28)29)20-10-8-16-7-9-19(30-3)13-21(16)22(20)24-25/h4-7,9,11-13,20,23H,8,10H2,1-3H3/b14-11+/t20-,23+/m1/s1
SMILES: COC1=CC=CC(=C1)N2C(=O)[C@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C24H18Cl2N2O4/c1-31-17-9-5-8-16(13-17)27-23(29)20-21(18-11-10-14(25)12-19(18)26)28(32-22(20)24(27)30)15-6-3-2-4-7-15/h2-13,20-22H,1H3/t20-,21-,22+/m0/s1
SMILES: C[C@@]12CCC(=NOCC(=O)O)C=C1CC[C@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@]4(C)O)C
InChI: InChI=1S/C22H33NO4/c1-20-9-6-15(23-27-13-19(24)25)12-14(20)4-5-16-17(20)7-10-21(2)18(16)8-11-22(21,3)26/h12,16-18,26H,4-11,13H2,1-3H3,(H,24,25)/t16-,17-,18+,20+,21+,22-/m0/s1
SMILES: CCC[C@@H]1O[C@@H]2CC3C4C[C@@H](C5=CC(=O)CC[C@@]5([C@]4([C@H](C[C@@]3([C@@]2(O1)SC)C)O)F)C)F
InChI: InChI=1S/C24H34F2O4S/c1-5-6-20-29-19-11-14-15-10-17(25)16-9-13(27)7-8-21(16,2)23(15,26)18(28)12-22(14,3)24(19,30-20)31-4/h9,14-15,17-20,28H,5-8,10-12H2,1-4H3/t14?,15?,17-,18-,19+,20+,21-,22-,23-,24-/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC(=C2)CC3=CC=CC=C3)O)O)O
InChI: InChI=1S/C18H20O5/c19-15-11-22-18(17(21)16(15)20)23-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10,15-21H,9,11H2/t15-,16+,17-,18+/m1/s1
SMILES: COC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC=C(C=C2)C(F)(F)F
InChI: InChI=1S/C14H13F3N2O3/c1-7-10(12(20)22-2)11(19-13(21)18-7)8-3-5-9(6-4-8)14(15,16)17/h3-6,10-11H,1H2,2H3,(H2,18,19,21)/t10-,11+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)COC(=O)CCCCCN2C(=O)[C@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C32H29NO5/c34-25(20-11-3-1-4-12-20)19-38-26(35)17-5-2-10-18-33-31(36)29-27-21-13-6-7-14-22(21)28(30(29)32(33)37)24-16-9-8-15-23(24)27/h1,3-4,6-9,11-16,27-30H,2,5,10,17-19H2/t27?,28?,29-,30-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)O
InChI: InChI=1S/C18H26O3/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)21/h2,12-15,19,21H,3-10H2,1H3/t12-,13-,14-,15-,17-,18+/m0/s1
SMILES: COCCN([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=CC=CC=C2I)C(=O)NCCO)C(=O)C3CC3
InChI: InChI=1S/C22H29IN2O6/c1-30-11-9-25(22(29)14-6-7-14)17-12-15(21(28)24-8-10-26)13-19(20(17)27)31-18-5-3-2-4-16(18)23/h2-5,13-14,17,19-20,26-27H,6-12H2,1H3,(H,24,28)/t17-,19+,20+/m1/s1
SMILES: C[C@H]1[C@@H](C1C(=O)N2[C@H]3CCN([C@@H]3[C@@H](C2=O)C)C(=O)OCC4=CC=CC=C4)C
InChI: InChI=1S/C21H26N2O4/c1-12-13(2)17(12)20(25)23-16-9-10-22(18(16)14(3)19(23)24)21(26)27-11-15-7-5-4-6-8-15/h4-8,12-14,16-18H,9-11H2,1-3H3/t12-,13-,14-,16-,18+/m0/s1
SMILES: CC1=C(C2=C([C@@H](N3[C@@H](C2)[C@H]4C5=C(C[C@@H]([C@@H]3C#N)N4C)C(=C(C(=C5O)OC)C)OC)CN6C(=O)C7=CC=CC=C7C6=O)C(=C1OC)O)OC
InChI: InChI=1S/C36H38N4O8/c1-16-31(45-4)20-13-23-28-27-21(32(46-5)17(2)34(48-7)30(27)42)12-22(38(28)3)24(14-37)40(23)25(26(20)29(41)33(16)47-6)15-39-35(43)18-10-8-9-11-19(18)36(39)44/h8-11,22-25,28,41-42H,12-13,15H2,1-7H3/t22-,23-,24-,25-,28-/m0/s1
SMILES: C[C@@]1([C@@H](C=C[C@H]([C@@H]1C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C21H20O4/c1-21(20(24)25)17(15-10-6-3-7-11-15)13-12-16(18(21)19(22)23)14-8-4-2-5-9-14/h2-13,16-18H,1H3,(H,22,23)(H,24,25)/t16-,17-,18+,21-/m0/s1
SMILES: CC(=O)O[C@]1([C@@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C5=NC=CS5
InChI: InChI=1S/C31H31NO6S/c1-23(33)37-31(30-32-17-18-39-30)29(36-21-26-15-9-4-10-16-26)28(35-20-25-13-7-3-8-14-25)27(38-31)22-34-19-24-11-5-2-6-12-24/h2-18,27-29H,19-22H2,1H3/t27-,28-,29-,31+/m1/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(=O)[C@@H]4O)C)O
InChI: InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-15,17,20,22H,4-10H2,1-2H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1
SMILES: C[C@H]1C[C@H]1C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC
InChI: InChI=1S/C20H28N2O6S/c1-14-11-16(14)20(24)28-13-19(23)21-17-12-15(7-8-18(17)27-2)29(25,26)22-9-5-3-4-6-10-22/h7-8,12,14,16H,3-6,9-11,13H2,1-2H3,(H,21,23)/t14-,16+/m0/s1
SMILES: COC1=C(C(=CC=C1)OC)OC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C19H21NO6/c1-24-14-8-5-9-15(25-2)17(14)26-16(21)10-11-20-18(22)12-6-3-4-7-13(12)19(20)23/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3/t12-,13-/m1/s1
SMILES: CC1=C(C(=O)N(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C)[C@]67[C@H](O6)[C@H]8CC[C@@]7(C8(C)C)C
InChI: InChI=1S/C42H42N2O10/c1-24-30(42-33(54-42)28-21-22-41(42,4)40(28,2)3)34(45)43(5)39(49)44(24)35-32(53-38(48)27-19-13-8-14-20-27)31(52-37(47)26-17-11-7-12-18-26)29(51-35)23-50-36(46)25-15-9-6-10-16-25/h6-20,28-29,31-33,35H,21-23H2,1-5H3/t28-,29-,31-,32-,33-,35-,41-,42-/m1/s1
SMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)[C@@H]2C[C@@H]2C)OCC
InChI: InChI=1S/C19H28N2O6S/c1-5-21(6-2)28(24,25)17-11-14(8-9-16(17)26-7-3)20-18(22)12-27-19(23)15-10-13(15)4/h8-9,11,13,15H,5-7,10,12H2,1-4H3,(H,20,22)/t13-,15+/m0/s1