EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCC(C)(C1=CC=CC=C1)OP2N([C@H]([C@@H](N2C)C3=CC(=CC=C3)C(F)(F)F)C4=CC(=CC=C4)C(F)(F)F)C
InChI: InChI=1S/C28H29F6N2OP/c1-5-26(2,21-13-7-6-8-14-21)37-38-35(3)24(19-11-9-15-22(17-19)27(29,30)31)25(36(38)4)20-12-10-16-23(18-20)28(32,33)34/h6-18,24-25H,5H2,1-4H3/t24-,25-,26?/m0/s1
SMILES: C[Si](C)(C)C[C@@H]1[C@H]([C@@H](C2=C1C(=C(C(=C2Cl)Cl)Cl)Cl)C3=CC(=C(C(=C3Cl)Cl)Cl)Cl)[Si](C)(C)C
InChI: InChI=1S/C22H24Cl8Si2/c1-31(2,3)8-10-12-14(18(27)21(30)20(29)17(12)26)13(22(10)32(4,5)6)9-7-11(23)16(25)19(28)15(9)24/h7,10,13,22H,8H2,1-6H3/t10-,13+,22+/m0/s1
SMILES: CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CC[C@H]([C@@H](O7)C)O)O)N(C)C)O
InChI: InChI=1S/C42H55NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24-25,27-31,35,39-40,44-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,25+,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1
SMILES: CC(C)N[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)C
InChI: InChI=1S/C22H39NO/c1-14(2)23-16-9-11-21(3)15(13-16)5-6-17-18-7-8-20(24)22(18,4)12-10-19(17)21/h14-20,23-24H,5-13H2,1-4H3/t15-,16-,17-,18-,19-,20-,21-,22-/m0/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)/C(=N\OC)/C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)/C=C/C8CC(=NO8)Br
InChI: InChI=1S/C45H39BrN6O7S2/c1-56-33-21-18-28(19-22-33)25-58-43(55)39-29(20-23-34-24-36(46)50-59-34)26-60-42-38(41(54)52(39)42)48-40(53)37(51-57-2)35-27-61-44(47-35)49-45(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-23,27,34,38,42H,24-26H2,1-2H3,(H,47,49)(H,48,53)/b23-20+,51-37-/t34?,38-,42-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCC3=CC=CS3)C(=O)NC4=CC=CC=C4)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)CC6=C(C=CC=C6Cl)F)C
InChI: InChI=1S/C43H48ClFN2O4S/c1-29-9-7-21-42(2)37(19-22-43(42,51)28-47(23-20-33-12-8-24-52-33)41(50)46-31-10-4-3-5-11-31)34-18-16-30(25-32(48)17-15-29)26-35(34)40(49)27-36-38(44)13-6-14-39(36)45/h3-6,8-14,16,18,24,26,32,37,48,51H,7,15,17,19-23,25,27-28H2,1-2H3,(H,46,50)/t32-,37-,42-,43+/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1CC[C@]2(C[C@@H]1CC(=O)N2CC3=CC=CC=C3)CC=C
InChI: InChI=1S/C27H43NO2Si/c1-8-15-27-16-14-25(30-31(20(2)3,21(4)5)22(6)7)24(18-27)17-26(29)28(27)19-23-12-10-9-11-13-23/h8-13,20-22,24-25H,1,14-19H2,2-7H3/t24-,25+,27-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)NCCC2=CSC(=N2)C3=CN=CC=C3)C(=O)O
InChI: InChI=1S/C18H21N3O3S/c22-16(14-5-1-2-6-15(14)18(23)24)20-9-7-13-11-25-17(21-13)12-4-3-8-19-10-12/h3-4,8,10-11,14-15H,1-2,5-7,9H2,(H,20,22)(H,23,24)/t14-,15-/m1/s1
SMILES: CC[C@]12CCC[NH+]3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O
InChI: InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/p+1/t18-,20-,21+/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OCC7=CC=CC(=N7)C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C61H80FN3O8/c1-4-6-7-8-9-10-11-12-13-21-38-69-60(68)65(42-46-29-31-49(62)32-30-46)57-41-55(64-72-43-47-24-15-14-16-25-47)53-39-48(26-17-19-35-66)52(28-18-20-36-67)58-54-40-51(70-44-50-27-22-23-45(3)63-50)33-34-56(54)73-61(57,59(53)58)71-37-5-2/h5,14-16,22-25,27,29-34,39-40,48,52,57-59,66-67H,2,4,6-13,17-21,26,28,35-38,41-44H2,1,3H3/t48-,52+,57-,58+,59+,61+/m0/s1
SMILES: C1=CC=C(C=C1)C[C@H]2[C@@H]([C@H](C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC=CC=C4)[C@H](C(=O)O)O
InChI: InChI=1S/C28H27NO5/c30-24(21-14-8-3-9-15-21)17-22-25(26(31)28(33)34)23(16-19-10-4-1-5-11-19)29(27(22)32)18-20-12-6-2-7-13-20/h1-15,22-23,25-26,31H,16-18H2,(H,33,34)/t22-,23+,25-,26-/m1/s1
SMILES: CC(C)(C)C(=O)OCOC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)N)[C@@H]4CCN(O4)C
InChI: InChI=1S/C23H30N6O8S2/c1-23(2,3)21(33)36-10-35-20(32)16-11(13-6-7-28(4)37-13)8-38-19-15(18(31)29(16)19)26-17(30)14(27-34-5)12-9-39-22(24)25-12/h9,13,15,19H,6-8,10H2,1-5H3,(H2,24,25)(H,26,30)/b27-14-/t13-,15+,19+/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NS(=O)(=O)C4=C(C=CC(=C4)OC)OC
InChI: InChI=1S/C22H26N2O9S/c1-28-14-6-4-13(5-7-14)23-22(25)33-18-12-32-20-16(11-31-21(18)20)24-34(26,27)19-10-15(29-2)8-9-17(19)30-3/h4-10,16,18,20-21,24H,11-12H2,1-3H3,(H,23,25)/t16-,18+,20+,21+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CC2=C(C1=O)[C@@H](CC(=O)N2)C3=CC(=CC=C3)Cl)C4=CC=CO4
InChI: InChI=1S/C22H20ClNO5/c1-2-28-22(27)20-15(17-7-4-8-29-17)10-16-19(21(20)26)14(11-18(25)24-16)12-5-3-6-13(23)9-12/h3-9,14-15,20H,2,10-11H2,1H3,(H,24,25)/t14-,15+,20+/m0/s1
SMILES: C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC=C2)N3C(=O)[C@@H]4[C@H](C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI: InChI=1S/C33H26N2O3/c36-27(18-17-20-9-2-1-3-10-20)34-21-11-8-12-22(19-21)35-32(37)30-28-23-13-4-5-14-24(23)29(31(30)33(35)38)26-16-7-6-15-25(26)28/h1-16,19,28-31H,17-18H2,(H,34,36)/t28?,29?,30-,31+
SMILES: COC(=O)CCCCCCCCCCC(=O)N(CCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C36H52F17NO9/c1-61-24(57)16-12-8-5-3-2-4-7-11-15-23(56)54(19-20-62-28-27(60)26(59)25(58)22(21-55)63-28)18-14-10-6-9-13-17-29(37,38)30(39,40)31(41,42)32(43,44)33(45,46)34(47,48)35(49,50)36(51,52)53/h22,25-28,55,58-60H,2-21H2,1H3/t22-,25+,26+,27-,28-/m1/s1
SMILES: C[C@@H]([C@H]1[C@H]2COC(=O)[C@H]2N(O1)C(C3=CC=CC=C3)C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H35NO4Si/c1-18(31-32(5,6)26(2,3)4)24-21-17-29-25(28)23(21)27(30-24)22(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-24H,17H2,1-6H3/t18-,21-,23-,24-/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)N2C[C@H]3CC=C[C@H]3C(C2=O)(Cl)Cl
InChI: InChI=1S/C16H17Cl2NO/c1-11(12-6-3-2-4-7-12)19-10-13-8-5-9-14(13)16(17,18)15(19)20/h2-7,9,11,13-14H,8,10H2,1H3/t11-,13+,14+/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CCCO)[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)O
InChI: InChI=1S/C46H45N3O11/c1-27(2)36(42(54)58-3)47-45(57)48-33-22-21-28(14-12-13-23-50)26-32(33)46(44(48)56)35(41(52)53)38-43(55)60-39(30-17-8-5-9-18-30)37(29-15-6-4-7-16-29)49(38)40(46)31-19-10-11-20-34(31)59-25-24-51/h4-11,15-22,26-27,35-40,50-51H,13,23-25H2,1-3H3,(H,47,57)(H,52,53)/t35-,36+,37-,38-,39+,40+,46-/m1/s1
SMILES: CC[C@@H]1[C@@]2(C([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)OC)C)C)C(C(=O)O2)SCCCN4C=NC5=C(N=CN=C54)N)C
InChI: InChI=1S/C40H62N6O10S/c1-12-26-40(8)27(32(37(51)56-40)57-15-13-14-46-19-44-28-34(41)42-18-43-35(28)46)22(4)29(47)20(2)17-39(7,52-11)33(23(5)30(48)24(6)36(50)54-26)55-38-31(49)25(45(9)10)16-21(3)53-38/h18-27,31-33,38,49H,12-17H2,1-11H3,(H2,41,42,43)/t20-,21-,22-,23+,24-,25+,26-,27?,31-,32?,33-,38+,39-,40-/m1/s1
SMILES: CC1=CC[C@@H]2[C@@H](C1)C3=C(C=C(C=C3OC2(C)C)CCCCC(=O)O)O
InChI: InChI=1S/C21H28O4/c1-13-8-9-16-15(10-13)20-17(22)11-14(6-4-5-7-19(23)24)12-18(20)25-21(16,2)3/h8,11-12,15-16,22H,4-7,9-10H2,1-3H3,(H,23,24)/t15-,16-/m1/s1
SMILES: CCOC(=O)C1CC[NH+](CC1)C[C@H]2[C@@H]3[C@H](CC4=CCC[C@H]([C@@]4([C@@H]3O)C)C)OC2=O
InChI: InChI=1S/C23H35NO5/c1-4-28-21(26)15-8-10-24(11-9-15)13-17-19-18(29-22(17)27)12-16-7-5-6-14(2)23(16,3)20(19)25/h7,14-15,17-20,25H,4-6,8-13H2,1-3H3/p+1/t14-,17+,18+,19-,20-,23+/m1/s1
SMILES: COC(=O)[C@]1([C@@H]2[C@@H](CC3=C2C=C(N3CCO)C(=O)N4CCCC4)CN1C(=O)C5=CC=CC=C5)CC6=CC=C(C=C6)F
InChI: InChI=1S/C32H34FN3O5/c1-41-31(40)32(19-21-9-11-24(33)12-10-21)28-23(20-36(32)29(38)22-7-3-2-4-8-22)17-26-25(28)18-27(35(26)15-16-37)30(39)34-13-5-6-14-34/h2-4,7-12,18,23,28,37H,5-6,13-17,19-20H2,1H3/t23-,28+,32+/m0/s1
SMILES: C[C@]1([C@H](CC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)O)C=O)O)C(=O)O
InChI: InChI=1S/C20H26O6/c1-10-7-20-8-11(10)3-4-12(20)19(9-21)6-5-13(22)18(2,17(25)26)15(19)14(20)16(23)24/h9,11-15,22H,1,3-8H2,2H3,(H,23,24)(H,25,26)/t11-,12+,13+,14-,15-,18-,19-,20+/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4)C(C)C
InChI: InChI=1S/C21H29N3O2S2/c1-13(2)16-9-6-14(3)11-17(16)26-19(25)12-28-21-23-22-20(18-5-4-10-27-18)24(21)15-7-8-15/h4-5,10,13-17H,6-9,11-12H2,1-3H3/t14-,16-,17-/m1/s1
SMILES: CCC(=O)N1[C@@H]([C@@H]2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC=CC=C4F
InChI: InChI=1S/C21H21FN2O2/c1-3-19(25)24-21(15-6-4-5-7-18(15)22)16-11-9-13-8-10-14(26-2)12-17(13)20(16)23-24/h4-8,10,12,16,21H,3,9,11H2,1-2H3/t16-,21-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3)N
InChI: InChI=1S/C20H28N6OS/c1-13-7-6-10-16(14(13)2)23-18(27)12-28-11-17-24-19(21)26-20(25-17)22-15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12H2,1-2H3,(H,23,27)(H3,21,22,24,25,26)/t13-,14-,16+/m1/s1
SMILES: C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI: InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17-,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@H]2COC(O2)(C)C)O)(C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)OC)O
InChI: InChI=1S/C28H35NO9/c1-17(30)29-22-20(31)15-28(34-4,38-25(22)23(32)21-16-35-27(2,3)37-21)26(33)36-24(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-25,31-32H,15-16H2,1-4H3,(H,29,30)/t20-,21+,22+,23+,25+,28-/m0/s1
SMILES: CCCCC[C@H]1[C@@H]([C@H]2[C@@H](C[C@@H]([C@H]2C1=O)COC(=O)C)CO)C3=CC=CC=C3
InChI: InChI=1S/C23H32O4/c1-3-4-6-11-19-20(16-9-7-5-8-10-16)21-17(13-24)12-18(14-27-15(2)25)22(21)23(19)26/h5,7-10,17-22,24H,3-4,6,11-14H2,1-2H3/t17-,18+,19-,20-,21+,22+/m0/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(CSP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)C
InChI: InChI=1S/C29H55O12PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(31)39-19-22(40-21(2)30)20-43-42(37,38)41-29-27(35)25(33)24(32)26(34)28(29)36/h22,24-29,32-36H,3-20H2,1-2H3,(H,37,38)/t22?,24?,25-,26+,27-,28-,29?/m0/s1
SMILES: CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)N/N=C\4/C[C@H]5[C@@H]4CC=C5
InChI: InChI=1S/C20H18N4S/c1-12-21-19(24-23-17-10-14-8-5-9-15(14)17)16-11-18(25-20(16)22-12)13-6-3-2-4-7-13/h2-8,11,14-15H,9-10H2,1H3,(H,21,22,24)/b23-17-/t14-,15-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C
InChI: InChI=1S/C26H44O2/c1-18(2)7-5-8-19(3)24-12-13-25-21(9-6-14-26(24,25)4)11-10-20-15-22(27)17-23(28)16-20/h10-11,18-19,22-25,27-28H,5-9,12-17H2,1-4H3/b21-11+/t19-,22-,23-,24-,25+,26-/m1/s1
SMILES: C=CCC1=C(C(=CC=C1)[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)[N+](=O)[O-])O
InChI: InChI=1S/C41H32ClFN4O7/c1-2-4-22-5-3-6-31(36(22)48)35-29-19-20-30-34(39(51)45(37(30)49)27-15-17-28(18-16-27)47(53)54)32(29)21-33-38(50)46(44-26-13-11-25(43)12-14-26)40(52)41(33,35)23-7-9-24(42)10-8-23/h2-3,5-19,30,32-35,44,48H,1,4,20-21H2/t30-,32+,33-,34-,35+,41+/m0/s1
SMILES: CCCCCCCCC(/C=C/C=C/[C@H]1CC=CC[C@H]1CO[Si](C)(C)C(C)(C)C)OC(=O)C
InChI: InChI=1S/C28H50O3Si/c1-8-9-10-11-12-13-21-27(31-24(2)29)22-17-16-19-25-18-14-15-20-26(25)23-30-32(6,7)28(3,4)5/h14-17,19,22,25-27H,8-13,18,20-21,23H2,1-7H3/b19-16+,22-17+/t25-,26+,27?/m1/s1
SMILES: COC(=O)CCC/C=C/1\[C@@H]([C@@H](CS1)NC(=O)C2=CC=CC=C2)O
InChI: InChI=1S/C17H21NO4S/c1-22-15(19)10-6-5-9-14-16(20)13(11-23-14)18-17(21)12-7-3-2-4-8-12/h2-4,7-9,13,16,20H,5-6,10-11H2,1H3,(H,18,21)/b14-9+/t13-,16-/m1/s1
SMILES: CC(C)[C@H]1[C@@H](C[C@@]2([C@H](O2)CC[C@@]3([C@H]([C@H]1O)O3)C)C=O)OC(=O)C
InChI: InChI=1S/C17H26O6/c1-9(2)13-11(21-10(3)19)7-17(8-18)12(22-17)5-6-16(4)15(23-16)14(13)20/h8-9,11-15,20H,5-7H2,1-4H3/t11-,12-,13+,14+,15+,16-,17+/m1/s1
SMILES: CC1=CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@H]3CN4CCN(CC4)C5=CC=CC=C5F)C
InChI: InChI=1S/C25H31FN2O2/c1-17-6-5-9-25(2)15-23-18(14-20(17)25)19(24(29)30-23)16-27-10-12-28(13-11-27)22-8-4-3-7-21(22)26/h3-4,6-8,14,18-19,23H,5,9-13,15-16H2,1-2H3/t18-,19+,23-,25-/m1/s1
SMILES: CC1=CN(C(=O)NC1O)[C@H]2C[C@@H]([C@H](O2)CNC=O)N=[N+]=[N-]
InChI: InChI=1S/C11H16N6O4/c1-6-4-17(11(20)14-10(6)19)9-2-7(15-16-12)8(21-9)3-13-5-18/h4-5,7-10,19H,2-3H2,1H3,(H,13,18)(H,14,20)/t7-,8+,9+,10?/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)CC=C
InChI: InChI=1S/C33H34N2O6S/c1-4-20-42(38,39)29-21-30(35-22-24(2)31(36)34(3)32(35)37)41-28(29)23-40-33(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h4-19,22,28-30H,1,20-21,23H2,2-3H3/t28-,29+,30-/m1/s1
SMILES: CC(C)[C@@H]1CCC([C@@H]([C@H]1COCC2=CC=CC=C2)/C=C/[C@@H]3C[C@@H](OC(O3)(C)C)CC(=O)OC(C)(C)C)(C)C
InChI: InChI=1S/C33H52O5/c1-23(2)27-17-18-32(6,7)29(28(27)22-35-21-24-13-11-10-12-14-24)16-15-25-19-26(37-33(8,9)36-25)20-30(34)38-31(3,4)5/h10-16,23,25-29H,17-22H2,1-9H3/b16-15+/t25-,26-,27+,28+,29-/m1/s1
SMILES: CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)O
InChI: InChI=1S/C21H21NO7/c1-11-16(23)7-6-13-12(8-17(24)29-19(11)13)10-28-18(25)9-22-20(26)14-4-2-3-5-15(14)21(22)27/h6-8,14-15,23H,2-5,9-10H2,1H3/t14-,15-/m0/s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@]([C@H]3CC2)(C)CNC(=O)NC4=CC=CC=C4)C
InChI: InChI=1S/C27H36N2O/c1-19(2)20-11-13-23-21(17-20)12-14-24-26(3,15-8-16-27(23,24)4)18-28-25(30)29-22-9-6-5-7-10-22/h5-7,9-11,13,17,19,24H,8,12,14-16,18H2,1-4H3,(H2,28,29,30)/t24-,26-,27-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C(=O)C3=CC4=C(C(=CC=C4)OC)OC3=O)OCC5=CC=CC=C5)C
InChI: InChI=1S/C25H24O8/c1-25(2)32-22-21(29-13-14-8-5-4-6-9-14)20(31-24(22)33-25)18(26)16-12-15-10-7-11-17(28-3)19(15)30-23(16)27/h4-12,20-22,24H,13H2,1-3H3/t20-,21+,22-,24-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@@]5([C@@H]4CCC5=O)C)C
InChI: InChI=1S/C26H36O4S/c1-17-4-7-20(8-5-17)31(28,29)30-19-12-14-25(2)18(16-19)6-9-21-22-10-11-24(27)26(22,3)15-13-23(21)25/h4-5,7-8,18-19,21-23H,6,9-16H2,1-3H3/t18-,19-,21+,22-,23+,25+,26-/m1/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@@H]3CCCC[C@@]3(CCN2C(=O)C4=CC=CC=C4OC)O
InChI: InChI=1S/C24H29NO4/c1-28-20-12-5-3-9-17(20)22-19-11-7-8-14-24(19,27)15-16-25(22)23(26)18-10-4-6-13-21(18)29-2/h3-6,9-10,12-13,19,22,27H,7-8,11,14-16H2,1-2H3/t19-,22-,24-/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCOCCOCCOCCOCC2)C(C)C)CCCO
InChI: InChI=1S/C24H43NO8/c1-4-32-24-20(6-5-9-26)21(19(2)3)18-22(33-24)23(27)25-7-10-28-12-14-30-16-17-31-15-13-29-11-8-25/h18-21,24,26H,4-17H2,1-3H3/t20-,21-,24-/m1/s1
SMILES: C1[C@H]([C@@H](O[C@@H]([C@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)CO)O
InChI: InChI=1S/C21H26O5/c22-12-20-18(23)11-19(25-14-17-9-5-2-6-10-17)21(26-20)15-24-13-16-7-3-1-4-8-16/h1-10,18-23H,11-15H2/t18-,19+,20+,21-/m1/s1
SMILES: CCCCCC1(OCCO1)CC[C@H]2[C@@H](C[C@H]3[C@@H]2CC(=O)O3)OC4CCCCO4
InChI: InChI=1S/C22H36O6/c1-2-3-5-9-22(25-12-13-26-22)10-8-16-17-14-20(23)27-19(17)15-18(16)28-21-7-4-6-11-24-21/h16-19,21H,2-15H2,1H3/t16-,17-,18-,19+,21?/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@](O[C@H]1[C@@H](C)COC)([C@@H](C)C(=O)OCC2=CC=CC=C2)O)OC)O
InChI: InChI=1S/C21H32O7/c1-13(11-25-4)18-14(2)17(22)19(26-5)21(24,28-18)15(3)20(23)27-12-16-9-7-6-8-10-16/h6-10,13-15,17-19,22,24H,11-12H2,1-5H3/t13-,14-,15-,17-,18-,19+,21+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C25H23N3O8/c1-15(29)34-21-20(36-24(31)17-10-6-3-7-11-17)18(14-33-23(30)16-8-4-2-5-9-16)35-22(21)28-13-12-19(26)27-25(28)32/h2-13,18,20-22H,14H2,1H3,(H2,26,27,32)/t18-,20-,21-,22-/m1/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)/Cl)Cl
InChI: InChI=1S/C25H33Cl2NO7/c1-14-12-33-13-25(27)20(35-25)10-18(17(26)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: C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(C[C@H]([C@H](C4(C)C)O)OC(=O)CC(C)(CC(=O)O)O)C)C)C
InChI: InChI=1S/C36H60O8/c1-21(10-13-27(37)32(4,5)42)22-14-16-36(9)24-11-12-26-31(2,3)30(41)25(44-29(40)20-33(6,43)19-28(38)39)18-34(26,7)23(24)15-17-35(22,36)8/h21-22,25-27,30,37,41-43H,10-20H2,1-9H3,(H,38,39)/t21-,22-,25-,26?,27-,30-,33?,34-,35-,36+/m1/s1
SMILES: C[C@@H]1[C@@H](O1)/C=C/C(=O)[C@]23[C@H](COC2=O)COC(O3)(C)C
InChI: InChI=1S/C14H18O6/c1-8-10(19-8)4-5-11(15)14-9(6-17-12(14)16)7-18-13(2,3)20-14/h4-5,8-10H,6-7H2,1-3H3/b5-4+/t8-,9-,10+,14-/m1/s1
SMILES: CCOC1([C@@]2([C@H]([C@@]2(C(=[NH+]1)N)C#N)C3=CC=C(C=C3)Br)C#N)OCC
InChI: InChI=1S/C17H17BrN4O2/c1-3-23-17(24-4-2)16(10-20)13(11-5-7-12(18)8-6-11)15(16,9-19)14(21)22-17/h5-8,13H,3-4H2,1-2H3,(H2,21,22)/p+1/t13-,15+,16+/m0/s1
SMILES: C[C@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OCC3CC3)C(=O)[C@@H](C(C)C)N)C)O
InChI: InChI=1S/C23H36N2O4/c1-14(2)21(24)22(27)25-11-18(23(4,13-25)15(3)26)17-8-9-19(28-5)20(10-17)29-12-16-6-7-16/h8-10,14-16,18,21,26H,6-7,11-13,24H2,1-5H3/t15-,18+,21-,23+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5C6=CC=CC=C6
InChI: InChI=1S/C27H21NO3/c29-26-24-18-10-11-19(16-18)25(24)27(30)28(26)20-12-14-21(15-13-20)31-23-9-5-4-8-22(23)17-6-2-1-3-7-17/h1-15,18-19,24-25H,16H2/t18-,19+,24-,25+
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N4CC=C5[C@H](N4C3=O)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=C(C=CC8=CC=CC=C87)O)Cl)CBr)Cl)OC)OC
InChI: InChI=1S/C36H31BrCl2N6O8/c1-41-23-15-27(53-3)26(52-2)14-22(23)40-21(30(41)47)11-12-42-33(50)44-13-10-20-24(45(44)34(42)51)16-35(38)31(48)43(17-37)32(49)36(35,39)29(20)28-19-7-5-4-6-18(19)8-9-25(28)46/h4-10,14-15,24,29,46H,11-13,16-17H2,1-3H3/t24-,29-,35-,36+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)COCC4=CC=CC=C4)C(=CS(=O)(=O)O3)NC(=O)C)OC(=O)C
InChI: InChI=1S/C23H25N3O10S/c1-13-9-26(22(30)25-20(13)29)21-19(34-15(3)28)23(17(24-14(2)27)12-37(31,32)36-23)18(35-21)11-33-10-16-7-5-4-6-8-16/h4-9,12,18-19,21H,10-11H2,1-3H3,(H,24,27)(H,25,29,30)/t18-,19+,21-,23?/m1/s1
SMILES: C[C@@H]1[C@@](C(=O)CO1)(C)NC(=O)[C@@H](CC(C)(C)C)NC(=O)C2=CSC=C2
InChI: InChI=1S/C18H26N2O4S/c1-11-18(5,14(21)9-24-11)20-16(23)13(8-17(2,3)4)19-15(22)12-6-7-25-10-12/h6-7,10-11,13H,8-9H2,1-5H3,(H,19,22)(H,20,23)/t11-,13-,18-/m1/s1
SMILES: C[C@H]1CC[C@@H]2[C@H](C[C@H](C3=C(C(=C(C1=C23)O)O[C@@H]4[C@@H]([C@H]([C@H](CO4)O)O)O)C)C=C(C)C)C
InChI: InChI=1S/C25H36O6/c1-11(2)8-15-9-13(4)16-7-6-12(3)18-20(16)19(15)14(5)24(22(18)28)31-25-23(29)21(27)17(26)10-30-25/h8,12-13,15-17,21,23,25-29H,6-7,9-10H2,1-5H3/t12-,13-,15+,16+,17-,21-,23+,25+/m0/s1
SMILES: CC(=O)O[C@H]1C=C([C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC
InChI: InChI=1S/C16H20O10/c1-7(17)23-12-6-11(16(21)22-5)13(24-8(2)18)15(26-10(4)20)14(12)25-9(3)19/h6,12-15H,1-5H3/t12-,13-,14+,15+/m0/s1
SMILES: [CH3-].[CH3-].C[C@@H]1CC[C@H]([C@@H](C1)[C]2[CH][CH][CH][CH]2)C(C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.[Hf+4]
InChI: InChI=1S/C15H23.C10H15.2CH3.Hf/c1-11(2)14-9-8-12(3)10-15(14)13-6-4-5-7-13;1-6-7(2)9(4)10(5)8(6)3;;;/h4-7,11-12,14-15H,8-10H2,1-3H3;1-5H3;2*1H3;/q;;2*-1;+4/t12-,14+,15+;;;;/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)NC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)CN6C=NC(=C6Cl)Cl
InChI: InChI=1S/C35H32Cl2N4O5/c1-22-30(19-41-21-38-32(36)33(41)37)45-34(46-31(22)24-9-7-23(20-42)8-10-24)25-11-13-26(14-12-25)39-35(43)40-27-15-17-29(18-16-27)44-28-5-3-2-4-6-28/h2-18,21-22,30-31,34,42H,19-20H2,1H3,(H2,39,40,43)/t22-,30+,31+,34+/m1/s1
SMILES: C/C=C(/CN(CC1=CC=CC=C1)C(=O)CSC2=CC=CC=C2)\[C@@H]3CCC4=C([C@H]3C(=O)OC)C5=CC=CC=C5N4C
InChI: InChI=1S/C34H36N2O3S/c1-4-25(22-36(21-24-13-7-5-8-14-24)31(37)23-40-26-15-9-6-10-16-26)27-19-20-30-32(33(27)34(38)39-3)28-17-11-12-18-29(28)35(30)2/h4-18,27,33H,19-23H2,1-3H3/b25-4-/t27-,33-/m0/s1
SMILES: C[C@@H]([C@H]1C[C@@H]2CC[C@H]1C2)NC(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5
InChI: InChI=1S/C25H26ClN3O/c1-16(22-14-17-7-8-19(22)13-17)27-25(30)23-15-29(21-5-3-2-4-6-21)28-24(23)18-9-11-20(26)12-10-18/h2-6,9-12,15-17,19,22H,7-8,13-14H2,1H3,(H,27,30)/t16-,17+,19-,22+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H](C2=CC(=C(C=C2)O)OC)[C@H](CO)OC3=CC=CC=C3OC)O
InChI: InChI=1S/C24H32O11/c1-30-15-6-4-5-7-16(15)33-19(12-26)22(13-8-9-14(27)17(10-13)31-2)35-23-20(28)18(11-25)34-24(32-3)21(23)29/h4-10,18-29H,11-12H2,1-3H3/t18-,19+,20+,21-,22-,23+,24+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC(=CC=C2)Br
InChI: InChI=1S/C17H22BrNO3/c1-11-6-3-4-9-15(11)19-16(20)12(2)22-17(21)13-7-5-8-14(18)10-13/h5,7-8,10-12,15H,3-4,6,9H2,1-2H3,(H,19,20)/t11-,12-,15-/m1/s1
SMILES: C[C@H]1C[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)C)O)C)C
InChI: InChI=1S/C22H30O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h5-6,12-13,17-19,25H,7-11H2,1-4H3/t13-,17+,18-,19-,20-,21-,22-/m0/s1
SMILES: C[C@@]12C[C@H]3C(=O)O[C@@H]([C@]3(O1)[C@@H]4[C@H]2O4)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H26O5Si/c1-14(2,3)22(5,6)18-8-10-16-9(13(17)19-10)7-15(4,21-16)11-12(16)20-11/h9-12H,7-8H2,1-6H3/t9-,10+,11+,12-,15-,16-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C13H18O9/c1-6(14)18-5-10-11(19-7(2)15)12(20-8(3)16)13(22-10)21-9(4)17/h10-13H,5H2,1-4H3/t10-,11-,12+,13+/m1/s1
SMILES: C[C@@H]1CN([C@H]2C[C@@H](C[C@@]1(C2)C3=CC(=CC=C3)O)NC(=O)CCN4CCC5=CC=CC=C5C4)CCCC6=CC=CC=C6C
InChI: InChI=1S/C37H47N3O2/c1-27-9-3-4-10-29(27)13-8-18-40-25-28(2)37(32-14-7-15-35(41)21-32)23-33(22-34(40)24-37)38-36(42)17-20-39-19-16-30-11-5-6-12-31(30)26-39/h3-7,9-12,14-15,21,28,33-34,41H,8,13,16-20,22-26H2,1-2H3,(H,38,42)/t28-,33+,34+,37+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@H]3[C@H](O1)COC(O3)(C)C)OC(O2)(C)C
InChI: InChI=1S/C13H22O5/c1-7-9-11(18-13(4,5)16-9)10-8(15-7)6-14-12(2,3)17-10/h7-11H,6H2,1-5H3/t7-,8+,9+,10+,11+/m0/s1
SMILES: CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])C
InChI: InChI=1S/C22H26N2O5S/c1-14-7-12-20(15(2)13-14)24-30(28,29)17-10-8-16(9-11-17)23-21(25)18-5-3-4-6-19(18)22(26)27/h7-13,18-19,24H,3-6H2,1-2H3,(H,23,25)(H,26,27)/p-1/t18-,19+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)C2=C(C3=C(S2)N=C(NC3=O)C)C
InChI: InChI=1S/C19H25N3O4S/c1-9-6-5-7-13(10(9)2)22-14(23)8-26-19(25)16-11(3)15-17(24)20-12(4)21-18(15)27-16/h9-10,13H,5-8H2,1-4H3,(H,22,23)(H,20,21,24)/t9-,10-,13+/m0/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](C)OC(=O)C)CSC5=CC=CC=C5
InChI: InChI=1S/C37H39NO6S/c1-24-34(23-45-33-13-5-4-6-14-33)43-37(44-35(24)29-17-15-27(22-39)16-18-29)32-12-8-11-31(20-32)30-10-7-9-28(19-30)21-38-36(41)25(2)42-26(3)40/h4-20,24-25,34-35,37,39H,21-23H2,1-3H3,(H,38,41)/t24-,25+,34+,35+,37+/m1/s1
SMILES: CC(C)(C)C(=O)[C@H]1[C@@H]([C@@H]1C2=CC=C(C=C2)Cl)C=C
InChI: InChI=1S/C16H19ClO/c1-5-12-13(10-6-8-11(17)9-7-10)14(12)15(18)16(2,3)4/h5-9,12-14H,1H2,2-4H3/t12-,13+,14+/m1/s1
SMILES: C[C@]12[C@H](COC1=O)[C@H]3CC[C@@]2(O3)COCC4=CC=CC=C4
InChI: InChI=1S/C17H20O4/c1-16-13(10-20-15(16)18)14-7-8-17(16,21-14)11-19-9-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3/t13-,14-,16+,17-/m1/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2CC(=O)NC4=CN=C(C=C4)NC(=O)OC)CCC5[C@@]3(C=CC(=O)N5C)C
InChI: InChI=1S/C28H38N4O4/c1-27-13-11-21-19(7-9-22-28(21,2)14-12-25(34)32(22)3)20(27)8-5-17(27)15-24(33)30-18-6-10-23(29-16-18)31-26(35)36-4/h6,10,12,14,16-17,19-22H,5,7-9,11,13,15H2,1-4H3,(H,30,33)(H,29,31,35)/t17-,19?,20?,21?,22?,27-,28-/m1/s1
SMILES: COCC(=O)N[C@H]1CCN2[C@@H]1C(=O)N3C[C@@H](C[C@H]3C2=O)O
InChI: InChI=1S/C13H19N3O5/c1-21-6-10(18)14-8-2-3-15-11(8)13(20)16-5-7(17)4-9(16)12(15)19/h7-9,11,17H,2-6H2,1H3,(H,14,18)/t7-,8+,9+,11+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)C[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)O)O)O
InChI: InChI=1S/C12H18N2O7/c1-5-3-14(12(19)13-10(5)18)4-6-7(15)8(16)9(17)11(20-2)21-6/h3,6-9,11,15-17H,4H2,1-2H3,(H,13,18,19)/t6-,7-,8+,9-,11+/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=C(C=C3)C=CC4CCC5C(C4)O5)OC6(O2)CC7=CC=CC=C7C6
InChI: InChI=1S/C40H47NO9/c1-39(2,3)49-35(43)17-15-30(23-42)41-37(44)29-19-33(36-34(20-29)48-40(50-36)21-27-6-4-5-7-28(27)22-40)47-38(45)26-13-10-24(11-14-26)8-9-25-12-16-31-32(18-25)46-31/h4-11,13-14,20,25,30-34,36,42H,12,15-19,21-23H2,1-3H3,(H,41,44)/t25?,30-,31?,32?,33+,34+,36-/m0/s1
SMILES: C1=CC=C(C=C1)CCC(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=CC(=O)NC3=O)CO
InChI: InChI=1S/C18H20N2O7/c21-10-12-16(27-14(23)7-6-11-4-2-1-3-5-11)15(24)17(26-12)20-9-8-13(22)19-18(20)25/h1-5,8-9,12,15-17,21,24H,6-7,10H2,(H,19,22,25)/t12-,15-,16-,17-/m1/s1
SMILES: CC1=CC=C(C=C1)C#CC2=CN(C3=NC=NC(=C23)N)[C@H]4[C@]([C@@H]([C@H](O4)CO)O)(C)O
InChI: InChI=1S/C21H22N4O4/c1-12-3-5-13(6-4-12)7-8-14-9-25(19-16(14)18(22)23-11-24-19)20-21(2,28)17(27)15(10-26)29-20/h3-6,9,11,15,17,20,26-28H,10H2,1-2H3,(H2,22,23,24)/t15-,17-,20-,21-/m1/s1