EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1([C@H]([C@@H](C2=C(O1)C(=C(C=C2)CN(C3=CC=CC(=C3)/C=C/C(=O)OC)C(=O)C4=CC=CC=C4)OC)N5CCCCC5)O)C
InChI: InChI=1S/C35H40N2O6/c1-35(2)33(39)30(36-20-9-6-10-21-36)28-18-17-26(31(42-4)32(28)43-35)23-37(34(40)25-13-7-5-8-14-25)27-15-11-12-24(22-27)16-19-29(38)41-3/h5,7-8,11-19,22,30,33,39H,6,9-10,20-21,23H2,1-4H3/b19-16+/t30-,33+/m1/s1
SMILES: C[C@]1([C@H]([C@@H](C2=C(O1)C=CC(=C2)N)N(CC3=NC=CN3)C4=CC=C(C=C4)Br)O)C(OC)OC
InChI: InChI=1S/C23H27BrN4O4/c1-23(22(30-2)31-3)21(29)20(17-12-15(25)6-9-18(17)32-23)28(13-19-26-10-11-27-19)16-7-4-14(24)5-8-16/h4-12,20-22,29H,13,25H2,1-3H3,(H,26,27)/t20-,21+,23+/m1/s1
SMILES: COC1=CC=C(C=C1)COC[C@]23CO[C@H]([C@@H]2OCC4=CC=C(C=C4)OC)[C@@H](O3)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5
InChI: InChI=1S/C38H34O6/c1-39-29-14-6-24(7-15-29)20-41-22-38-23-43-36(37(38)42-21-25-8-16-30(40-2)17-9-25)35(44-38)32-19-13-28-11-10-26-4-3-5-27-12-18-31(32)34(28)33(26)27/h3-19,35-37H,20-23H2,1-2H3/t35-,36-,37-,38-/m0/s1
SMILES: C[C@]12CCC3C([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CCC5[C@@]3(CC[C@H](C5)N(C6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)F)OC)C
InChI: InChI=1S/C30H46FNO8/c1-28-9-6-18(32(38-3)27-24(31)26(36)25(35)22(14-33)40-27)13-17(28)4-5-21-20(28)7-10-29(2)19(8-11-30(21,29)37)16-12-23(34)39-15-16/h12,17-22,24-27,33,35-37H,4-11,13-15H2,1-3H3/t17?,18-,19-,20?,21?,22-,24-,25-,26-,27?,28+,29-,30+/m1/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F)OC(=O)C(C)(C)C)OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C25H32F6O12S2/c1-22(2,3)20(32)39-13-15-16(42-44(34,35)24(26,27)28)17(41-21(33)23(4,5)6)18(43-45(36,37)25(29,30)31)19(40-15)38-12-14-10-8-7-9-11-14/h7-11,15-19H,12-13H2,1-6H3/t15-,16+,17+,18-,19-/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]13C[C@H](OC3=O)C4=COC=C4)CCC=C2C(=O)OC)C)OC(=O)C
InChI: InChI=1S/C23H28O7/c1-13-10-19(29-14(2)24)22(3)16(20(25)27-4)6-5-7-18(22)23(13)11-17(30-21(23)26)15-8-9-28-12-15/h6,8-9,12-13,17-19H,5,7,10-11H2,1-4H3/t13-,17+,18+,19+,22+,23-/m1/s1
SMILES: CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C[C@@]34CC[C@@H](C3(C)C)C[C@@H]4NC(=O)[C@H](CCS(=O)(=O)C)NC(=O)OC(C)(C)C
InChI: InChI=1S/C31H50N4O7S2/c1-22-10-8-9-11-25(22)34-15-17-35(18-16-34)44(40,41)21-31-14-12-23(30(31,5)6)20-26(31)33-27(36)24(13-19-43(7,38)39)32-28(37)42-29(2,3)4/h8-11,23-24,26H,12-21H2,1-7H3,(H,32,37)(H,33,36)/t23-,24+,26+,31-/m1/s1
SMILES: C1C[C@@H]2[C@H]([C@@H](C1)P(C3=CC=CC=C3)C4=CC=CC=C4)[P@](C5=CC=CC=C25)C6=CC=CC=C6
InChI: InChI=1S/C30H28P2/c1-4-13-23(14-5-1)31(24-15-6-2-7-16-24)29-22-12-20-27-26-19-10-11-21-28(26)32(30(27)29)25-17-8-3-9-18-25/h1-11,13-19,21,27,29-30H,12,20,22H2/t27-,29+,30+,32-/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC=CC=C6)C)CCC7=NC8=CC(=C(C=C8N(C7=O)C)OC)OC
InChI: InChI=1S/C40H40N6O8/c1-21-16-23(17-22(2)34(21)47)33-25-12-15-44-38(51)43(14-13-27-36(49)42(4)30-20-32(54-6)31(53-5)19-28(30)41-27)39(52)46(44)29(25)18-26-35(48)45(37(50)40(26,33)3)24-10-8-7-9-11-24/h7-12,16-17,19-20,26,29,33,47H,13-15,18H2,1-6H3/t26-,29+,33-,40+/m0/s1
SMILES: C[C@@H]1CC2=C(CCC3(C2)OCCO3)C4[C@@H]1[C@@H]5CCC(=O)[C@]5(CC4)C
InChI: InChI=1S/C21H30O3/c1-13-11-14-12-21(23-9-10-24-21)8-6-15(14)16-5-7-20(2)17(19(13)16)3-4-18(20)22/h13,16-17,19H,3-12H2,1-2H3/t13-,16?,17+,19-,20+/m1/s1
SMILES: C[C@@H]([C@@H](C)OCC1=CC=CC=C1)[C@@H](C[C@H]([C@@H](C(=O)N([C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OC)OC)OC)C(=O)OCC[Si](C)(C)C)OCC3=CC(=C(C=C3)OC)OC)OC=C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C49H81NO14Si2/c1-18-59-40(29-38(64-66(16,17)49(4,5)6)33(2)34(3)61-30-35-22-20-19-21-23-35)43(62-31-36-24-25-37(54-8)39(28-36)55-9)46(51)50(48(52)60-26-27-65(13,14)15)47-45(58-12)44(57-11)42(56-10)41(63-47)32-53-7/h18-25,28,33-34,38,40-45,47H,1,26-27,29-32H2,2-17H3/t33-,34+,38+,40+,41+,42+,43-,44-,45+,47+/m0/s1
SMILES: COP(=O)(/C=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CCSC4=CC=[N+](C=C4)CF)C(=O)[O-])OC
InChI: InChI=1S/C23H25FN5O7PS3/c1-35-37(34,36-2)9-15(16-11-40-23(25)26-16)19(30)27-17-20(31)29-18(22(32)33)13(10-39-21(17)29)5-8-38-14-3-6-28(12-24)7-4-14/h3-4,6-7,9,11,17,21H,5,8,10,12H2,1-2H3,(H3-,25,26,27,30,32,33)/b15-9-/t17-,21-/m1/s1
SMILES: C/C(=N/NC(=O)[C@@H]1COC2=CC=CC=C2O1)/C3=CC4=C(C=C3)N[C@@H]([C@H]5[C@H]4C=CC5)C6=CC=CC=C6
InChI: InChI=1S/C29H27N3O3/c1-18(31-32-29(33)27-17-34-25-12-5-6-13-26(25)35-27)20-14-15-24-23(16-20)21-10-7-11-22(21)28(30-24)19-8-3-2-4-9-19/h2-10,12-16,21-22,27-28,30H,11,17H2,1H3,(H,32,33)/b31-18-/t21-,22-,27+,28-/m1/s1
SMILES: C[C@H](CCCC(C)(CO)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C
InChI: InChI=1S/C27H44O3/c1-19-9-12-23(29)17-22(19)11-10-21-8-6-16-27(4)24(13-14-25(21)27)20(2)7-5-15-26(3,30)18-28/h10-11,20,23-25,28-30H,1,5-9,12-18H2,2-4H3/b21-10+,22-11-/t20-,23-,24-,25+,26?,27-/m1/s1
SMILES: C1CN(C[C@H]([C@H]1CC2=CC(=C(C=C2)Cl)Cl)CO)C3CCN(CC3)C(=O)C4=C5C=C(C=CC5=NC=C4)OC(F)(F)F
InChI: InChI=1S/C29H30Cl2F3N3O3/c30-25-3-1-18(14-26(25)31)13-19-6-10-37(16-20(19)17-38)21-7-11-36(12-8-21)28(39)23-5-9-35-27-4-2-22(15-24(23)27)40-29(32,33)34/h1-5,9,14-15,19-21,38H,6-8,10-13,16-17H2/t19-,20+/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC4=CC=CC=C43)C(=O)O
InChI: InChI=1S/C24H26N2O4/c27-22(19-8-2-3-9-20(19)24(29)30)25-18-13-11-17(12-14-18)23(28)26-15-5-7-16-6-1-4-10-21(16)26/h1,4,6,10-14,19-20H,2-3,5,7-9,15H2,(H,25,27)(H,29,30)/t19-,20-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1[C@@H]2[C@H](CC=C1C(C)(C)O)C([C@@]23C4=CC=CC=C4NC(=O)O3)(C)C
InChI: InChI=1S/C29H45NO4Si/c1-17(2)35(18(3)4,19(5)6)34-25-22(28(9,10)32)16-15-21-24(25)29(27(21,7)8)20-13-11-12-14-23(20)30-26(31)33-29/h11-14,16-19,21,24-25,32H,15H2,1-10H3,(H,30,31)/t21-,24-,25-,29+/m0/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC=C3C=C4CCC5[C@](O5)(CC[C@@H]6[C@@H]4CC6(C)C)C)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C49H73NO9/c1-9-11-15-24-49(25-16-12-10-2)56-40-29-34(44(53)50-35(31-51)20-22-42(52)58-46(3,4)5)28-39(43(40)59-49)55-45(54)36-18-14-13-17-32(36)27-33-19-21-41-48(8,57-41)26-23-38-37(33)30-47(38,6)7/h13-14,17-18,27,29,35,37-41,43,51H,9-12,15-16,19-26,28,30-31H2,1-8H3,(H,50,53)/t35-,37+,38+,39+,40+,41?,43-,48+/m0/s1
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@@H](CCC3=C)O)C
InChI: InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13+/t20-,22+,25+,26-,27-,28+/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O
InChI: InChI=1S/C60H114N4O10S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-43-53(67)62-47(55(68)49(65)40-36-34-32-30-28-16-14-12-10-8-6-4-2)45-73-59-58(71)57(70)56(69)50(74-59)44-61-52(66)42-39-38-41-51-54-48(46-75-51)63-60(72)64-54/h47-51,54-59,65,68-71H,3-46H2,1-2H3,(H,61,66)(H,62,67)(H2,63,64,72)/t47-,48-,49+,50+,51-,54-,55-,56-,57-,58+,59-/m0/s1
SMILES: COC1=CC=CC2=C1OC(=C2)C(=O)N([C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=CC=CC=C45)C(=O)NCCO)C6CCCC6
InChI: InChI=1S/C30H32N2O7/c1-37-23-12-6-7-17-15-24(39-27(17)23)30(36)32(18-8-2-3-9-18)21-16-20(29(35)31-13-14-33)25-19-10-4-5-11-22(19)38-28(25)26(21)34/h4-7,10-12,15-16,18,21,25-26,28,33-34H,2-3,8-9,13-14H2,1H3,(H,31,35)/t21-,25+,26+,28+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCC[NH+]2CC(=O)NC3=CC=C(C=C3)Cl
InChI: InChI=1S/C17H23ClN2O/c18-14-7-9-15(10-8-14)19-17(21)12-20-11-3-5-13-4-1-2-6-16(13)20/h7-10,13,16H,1-6,11-12H2,(H,19,21)/p+1/t13-,16-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C)[C@@H]3[C@H]2[C@H](O[C@H]4[C@@H]3C(=C)CO4)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H37NO5SSi/c1-16-9-11-19(12-10-16)32(27,28)26-13-17(2)21-22-18(3)14-29-24(22)31-20(23(21)26)15-30-33(7,8)25(4,5)6/h9-12,20-24H,2-3,13-15H2,1,4-8H3/t20-,21+,22-,23-,24+/m1/s1
SMILES: C1=CC(=CC(=C1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]
InChI: InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-2-6(4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m1/s1
SMILES: C1[C@H]2[C@H](CC(=O)O2)C([C@@H]1OC(=O)C3=CC=CC=C3)C(I)I
InChI: InChI=1S/C15H14I2O4/c16-14(17)13-9-6-12(18)20-10(9)7-11(13)21-15(19)8-4-2-1-3-5-8/h1-5,9-11,13-14H,6-7H2/t9-,10-,11+,13?/m0/s1
SMILES: CC1([C@H]([C@@H](SC2=C1SC(=O)N2)C(=O)O)C(=O)C3=CC4=C(CCCC4)C=C3)C
InChI: InChI=1S/C20H21NO4S2/c1-20(2)13(15(18(23)24)26-17-16(20)27-19(25)21-17)14(22)12-8-7-10-5-3-4-6-11(10)9-12/h7-9,13,15H,3-6H2,1-2H3,(H,21,25)(H,23,24)/t13-,15+/m0/s1
SMILES: COC1=CC=C(C=C1)CNC(=S)NNC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C18H25N3O2S/c1-23-16-6-3-12(4-7-16)11-19-18(24)21-20-17(22)10-15-9-13-2-5-14(15)8-13/h3-4,6-7,13-15H,2,5,8-11H2,1H3,(H,20,22)(H2,19,21,24)/t13-,14+,15-/m0/s1
SMILES: C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2OC(=O)C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl)C/C(=C/C(=O)NCC(=O)N(C)C3=CC=CC=C3)/C)[C@H](C)OC(=O)C(Cl)(Cl)Cl
InChI: InChI=1S/C32H35Cl9N2O10/c1-15(11-22(44)42-13-23(45)43(4)19-8-6-5-7-9-19)10-20-26(53-29(48)32(39,40)41)25(52-28(47)31(36,37)38)18(14-49-20)12-21-24(51-21)16(2)17(3)50-27(46)30(33,34)35/h5-9,11,16-18,20-21,24-26H,10,12-14H2,1-4H3,(H,42,44)/b15-11+/t16-,17-,18-,20-,21-,24-,25+,26-/m0/s1
SMILES: C=C1CC[C@H]2[C@@H](C(=O)O[C@@H]2[C@@]3([C@H]1C[C@H](C3=C)O)O)CO
InChI: InChI=1S/C15H20O5/c1-7-3-4-9-10(6-16)14(18)20-13(9)15(19)8(2)12(17)5-11(7)15/h9-13,16-17,19H,1-6H2/t9-,10-,11-,12+,13-,15+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H38O18/c1-11(28)36-9-18-20(38-12(2)29)23(41-15(5)32)25(43-17(7)34)27(45-18)37-10-19-21(39-13(3)30)22(40-14(4)31)24(42-16(6)33)26(35-8)44-19/h18-27H,9-10H2,1-8H3/t18-,19-,20-,21-,22+,23+,24+,25+,26+,27+/m1/s1
SMILES: C1[C@@H]2C[C@@H]3[C@H]1[C@@H]([C@@H]2C(=O)NC4=CC=C(C=C4)C(=O)OCC(=O)C5=CC=CC=C5)C(=O)O3
InChI: InChI=1S/C24H21NO6/c26-18(13-4-2-1-3-5-13)12-30-23(28)14-6-8-16(9-7-14)25-22(27)20-15-10-17-19(11-15)31-24(29)21(17)20/h1-9,15,17,19-21H,10-12H2,(H,25,27)/t15-,17+,19-,20-,21+/m1/s1
SMILES: CC1=CC=C(C=C1)C2(C[C@H]3C[Si](C[C@@H]3C2)(C4=CC=CC=C4)C5=CC=CC=C5)O
InChI: InChI=1S/C26H28OSi/c1-20-12-14-23(15-13-20)26(27)16-21-18-28(19-22(21)17-26,24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,21-22,27H,16-19H2,1H3/t21-,22-/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)NC5=NC=CC(=N5)C6=CC=CO6
InChI: InChI=1S/C27H24N4O6/c32-27(29-17-8-10-19(11-9-17)36-18-5-2-1-3-6-18)37-23-16-35-24-21(15-34-25(23)24)31-26-28-13-12-20(30-26)22-7-4-14-33-22/h1-14,21,23-25H,15-16H2,(H,29,32)(H,28,30,31)/t21-,23+,24+,25+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=CC(=C4)/C=C/C(=O)O
InChI: InChI=1S/C18H15NO4/c20-14(21)7-4-10-2-1-3-13(8-10)19-17(22)15-11-5-6-12(9-11)16(15)18(19)23/h1-8,11-12,15-16H,9H2,(H,20,21)/b7-4+/t11-,12+,15+,16-
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2OS(=O)(=O)C(F)(F)F)CCC4=C3C=CC(=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C26H27F3O4S/c1-25-14-13-21-20-10-8-19(32-16-17-5-3-2-4-6-17)15-18(20)7-9-22(21)23(25)11-12-24(25)33-34(30,31)26(27,28)29/h2-6,8,10,12,15,21-23H,7,9,11,13-14,16H2,1H3/t21-,22-,23+,25+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@](O2)(CCO)CO)O
InChI: InChI=1S/C12H18N2O6/c1-7-5-14(11(19)13-10(7)18)9-4-8(17)12(6-16,20-9)2-3-15/h5,8-9,15-17H,2-4,6H2,1H3,(H,13,18,19)/t8-,9+,12+/m0/s1
SMILES: C1=CC=C2C(=C1)C3[C@@H]4[C@H](C2(C5=CC=CC=C35)[N+](=O)[O-])C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O
InChI: InChI=1S/C25H16N2O6/c28-22-20-19-15-8-1-3-10-17(15)25(27(32)33,18-11-4-2-9-16(18)19)21(20)23(29)26(22)14-7-5-6-13(12-14)24(30)31/h1-12,19-21H,(H,30,31)/t19?,20-,21+,25?/m1/s1
SMILES: CCOC(=O)[C@]1(C/C=C(/C=C/CC/C=C(/C=C/[C@H](C[C@@H]2C[C@H]1OC(O2)(C)C)O)\C)\C)C
InChI: InChI=1S/C26H40O5/c1-7-29-24(28)26(6)16-15-20(3)12-10-8-9-11-19(2)13-14-21(27)17-22-18-23(26)31-25(4,5)30-22/h10-15,21-23,27H,7-9,16-18H2,1-6H3/b12-10+,14-13+,19-11+,20-15+/t21-,22-,23-,26+/m1/s1
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C20H30N2O3S/c1-3-22(4-2)26(24,25)19-9-6-15(7-10-19)14-21-20(23)13-18-12-16-5-8-17(18)11-16/h6-7,9-10,16-18H,3-5,8,11-14H2,1-2H3,(H,21,23)/t16-,17+,18+/m0/s1
SMILES: COCO[C@H](CCOS(=O)(=O)C)[C@@H]1[C@H](O1)COCC2=CC=C(C=C2)OC
InChI: InChI=1S/C17H26O8S/c1-20-12-23-15(8-9-24-26(3,18)19)17-16(25-17)11-22-10-13-4-6-14(21-2)7-5-13/h4-7,15-17H,8-12H2,1-3H3/t15-,16-,17-/m1/s1
SMILES: CC1(O[C@@H]2CC3=C4C(=CC(=C3[C@@H]2O1)OCC5=CC=CC=C5)C(=O)C6=CC=CC=C6C4=O)C
InChI: InChI=1S/C27H22O5/c1-27(2)31-21-12-18-22-19(24(28)16-10-6-7-11-17(16)25(22)29)13-20(23(18)26(21)32-27)30-14-15-8-4-3-5-9-15/h3-11,13,21,26H,12,14H2,1-2H3/t21-,26-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H]1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)CS[C@@H]5C[C@@H](N(C5)CC6=CC=CC=C6)C
InChI: InChI=1S/C32H43NO3S/c1-20(2)28-13-24-14-30(18-34)27-11-10-21(3)26(27)15-31(24,32(28,30)29(35)36)19-37-25-12-22(4)33(17-25)16-23-8-6-5-7-9-23/h5-9,13,18,20-22,24-27H,10-12,14-17,19H2,1-4H3,(H,35,36)/t21-,22+,24?,25-,26-,27-,30?,31?,32?/m1/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)C2=CC=CC=C2)CCOCCOCCO
InChI: InChI=1S/C20H28O7/c1-2-26-20-16(8-10-24-12-13-25-11-9-21)17(14-18(27-20)19(22)23)15-6-4-3-5-7-15/h3-7,14,16-17,20-21H,2,8-13H2,1H3,(H,22,23)/t16-,17-,20-/m1/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)CC(=O)N)O2
InChI: InChI=1S/C15H21N3O4/c1-14(2,3)17-12(20)10-8-4-5-15(22-8)7-18(6-9(16)19)13(21)11(10)15/h4-5,8,10-11H,6-7H2,1-3H3,(H2,16,19)(H,17,20)/t8-,10-,11+,15-/m1/s1
SMILES: C[C@]12CC[C@@H]([C@]([C@@H]1CCC3=C2OC=C3)(C)CO[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C21H36O3Si/c1-19(2,3)25(6,7)24-14-21(5)16-9-8-15-11-13-23-18(15)20(16,4)12-10-17(21)22/h11,13,16-17,22H,8-10,12,14H2,1-7H3/t16-,17+,20+,21-/m1/s1
SMILES: CC(C)([C@@H](C[C@H]1COC(=O)O1)OC(=O)OCC(Cl)(Cl)Cl)[C@@H]([C@H]([C@@H]2[C@H](O2)CO)O)OC
InChI: InChI=1S/C17H25Cl3O10/c1-16(2,13(25-3)11(22)12-9(5-21)29-12)10(4-8-6-26-14(23)28-8)30-15(24)27-7-17(18,19)20/h8-13,21-22H,4-7H2,1-3H3/t8-,9+,10+,11-,12-,13+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C21H27N3O6/c1-13-6-5-9-17(14(13)2)23-11-15(10-20(23)26)21(27)30-12-19(25)22-16-7-3-4-8-18(16)24(28)29/h3-4,7-8,13-15,17H,5-6,9-12H2,1-2H3,(H,22,25)/t13-,14+,15+,17-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@]2(CC3=C1N=C(S3)CSC4=CC=CC=C4)C)[C@H](C)C(=O)N5CCN(CC5)C)O
InChI: InChI=1S/C28H39N3O2S2/c1-18(27(33)31-14-12-30(4)13-15-31)21-10-11-28(3)16-22-25(19(2)24(28)26(21)32)29-23(35-22)17-34-20-8-6-5-7-9-20/h5-9,18-19,21,24,26,32H,10-17H2,1-4H3/t18-,19-,21-,24+,26-,28-/m0/s1
SMILES: C1C[C@@H]2[C@@H]([NH2+][C@H]([C@@H](C1)C2O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C20H23NO/c22-20-16-12-7-13-17(20)19(15-10-5-2-6-11-15)21-18(16)14-8-3-1-4-9-14/h1-6,8-11,16-22H,7,12-13H2/p+1/t16-,17-,18+,19+/m1/s1
SMILES: CC[C@@H]1[C@H](C2=CC3=C(C(=C([15NH]3)C=C4[C@H]([C@@H](C(=[15N]4)C5=C6C(=C(C(=CC1=[15N]2)[15NH]6)C)C(=O)[C@@H]5C(=O)OC)CCC(=O)OC)C)C)C(=O)C)C
InChI: InChI=1S/C36H40N4O6/c1-9-20-15(2)22-14-27-29(19(6)41)17(4)24(38-27)12-23-16(3)21(10-11-28(42)45-7)33(39-23)31-32(36(44)46-8)35(43)30-18(5)25(40-34(30)31)13-26(20)37-22/h12-16,20-21,32,38,40H,9-11H2,1-8H3/t15-,16+,20-,21+,32-/m1/s1/i37+1,38+1,39+1,40+1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)OC)CCC4=C[C@@H](C=C[C@]34C)O
InChI: InChI=1S/C21H30O4/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(25-19(23)24-3)21(16,2)11-9-17(15)20/h8,10,12,14-18,22H,4-7,9,11H2,1-3H3/t14-,15+,16+,17+,18+,20+,21+/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)C3=CC=C(C=C3)OCC4=CSC=N4
InChI: InChI=1S/C20H24N2O2S/c23-20(22-10-9-15-3-1-2-4-17(15)11-22)16-5-7-19(8-6-16)24-12-18-13-25-14-21-18/h5-8,13-15,17H,1-4,9-12H2/t15-,17-/m1/s1
SMILES: CC1=CC(=CC=C1)NC(=O)[C@]2([C@@H]([C@@]2(C)C(=O)C3=CC=CC=C3)C4=CC=CC=C4)C#N
InChI: InChI=1S/C26H22N2O2/c1-18-10-9-15-21(16-18)28-24(30)26(17-27)22(19-11-5-3-6-12-19)25(26,2)23(29)20-13-7-4-8-14-20/h3-16,22H,1-2H3,(H,28,30)/t22-,25+,26-/m1/s1
SMILES: CCSC1([C@@]2(C3=C(CCC3)N[C@@H]([C@@]2(C(=N1)N)C#N)C4=CC=CC=C4)C#N)SCC
InChI: InChI=1S/C22H25N5S2/c1-3-28-22(29-4-2)21(14-24)16-11-8-12-17(16)26-18(15-9-6-5-7-10-15)20(21,13-23)19(25)27-22/h5-7,9-10,18,26H,3-4,8,11-12H2,1-2H3,(H2,25,27)/t18-,20-,21-/m1/s1
SMILES: C[C@@H](C[C@@]1([C@](C[C@H](O1)[C@H](C)/C=C(\C)/I)(C)O)OC)CO
InChI: InChI=1S/C15H27IO4/c1-10(9-17)7-15(19-5)14(4,18)8-13(20-15)11(2)6-12(3)16/h6,10-11,13,17-18H,7-9H2,1-5H3/b12-6+/t10-,11+,13-,14+,15+/m0/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C(=O)CBr)SC1)C(=O)O
InChI: InChI=1S/C15H16BrN3O8S/c1-6(20)27-4-7-5-28-14-10(13(23)19(14)11(7)15(24)25)17-12(22)9(18-26-2)8(21)3-16/h10,14H,3-5H2,1-2H3,(H,17,22)(H,24,25)/b18-9-/t10-,14-/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@@H]([C@H]([C@@H](C)C(C)C)O)O
InChI: InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25-,26-,27+,28+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)CNCC3=CC4=C(C=C3)OCO4)OCC5=CC=CC=C5Br)C
InChI: InChI=1S/C23H26BrNO6/c1-23(2)30-21-20(26-12-15-5-3-4-6-16(15)24)19(29-22(21)31-23)11-25-10-14-7-8-17-18(9-14)28-13-27-17/h3-9,19-22,25H,10-13H2,1-2H3/t19-,20+,21-,22-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4
InChI: InChI=1S/C23H24N4O3/c28-21(14-15-27-22(29)19-8-4-5-9-20(19)23(27)30)24-16-10-12-18(13-11-16)26-25-17-6-2-1-3-7-17/h1-3,6-7,10-13,19-20H,4-5,8-9,14-15H2,(H,24,28)/t19-,20-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=CC3=C(CCC3)C=C2
InChI: InChI=1S/C20H26N2O4/c1-13-5-2-3-8-17(13)21-20(25)22-18(23)12-26-19(24)16-10-9-14-6-4-7-15(14)11-16/h9-11,13,17H,2-8,12H2,1H3,(H2,21,22,23,25)/t13-,17+/m0/s1
SMILES: CCC1=C(SC(=C1C(=O)OCC)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])C
InChI: InChI=1S/C18H23NO5S/c1-4-11-10(3)25-16(14(11)18(23)24-5-2)19-15(20)12-8-6-7-9-13(12)17(21)22/h6-7,12-13H,4-5,8-9H2,1-3H3,(H,19,20)(H,21,22)/p-1/t12-,13+/m0/s1
SMILES: CC1([C@@H]([C@@H]([C@@H]2[NH+]1CCC2)C(=O)OC)C(=O)OC)C
InChI: InChI=1S/C13H21NO4/c1-13(2)10(12(16)18-4)9(11(15)17-3)8-6-5-7-14(8)13/h8-10H,5-7H2,1-4H3/p+1/t8-,9-,10+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=C3CC[C@@H](C4)O)C[131I])C
InChI: InChI=1S/C27H45IO/c1-17(2)6-5-7-18(3)25-10-11-26-24-14-19(16-28)23-15-20(29)8-9-21(23)22(24)12-13-27(25,26)4/h17-20,22,24-26,29H,5-16H2,1-4H3/t18-,19+,20+,22-,24-,25-,26+,27-/m1/s1/i28+4
SMILES: C1=CC=C(C=C1)C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2OC(=O)C3=CC=CC=C3)N4C=NC5=C4N=CN=C5Cl)CO
InChI: InChI=1S/C24H19ClN4O6/c25-20-17-21(27-12-26-20)29(13-28-17)22-19(35-24(32)15-9-5-2-6-10-15)18(16(11-30)33-22)34-23(31)14-7-3-1-4-8-14/h1-10,12-13,16,18-19,22,30H,11H2/t16-,18-,19-,22-/m1/s1
SMILES: C1[C@H]2C[C@H]([C@@H]1/C=N\NC(=O)C3=CC=CC4=CC=CC=C43)[C@@H](C2)C(F)(F)F
InChI: InChI=1S/C20H19F3N2O/c21-20(22,23)18-10-12-8-14(17(18)9-12)11-24-25-19(26)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,11-12,14,17-18H,8-10H2,(H,25,26)/b24-11-/t12-,14-,17+,18+/m0/s1
SMILES: COC1=CC=CC=C1COC(=O)[C@@]2(CC[C@@H]3[C@H]2C3C(=O)O)N
InChI: InChI=1S/C16H19NO5/c1-21-11-5-3-2-4-9(11)8-22-15(20)16(17)7-6-10-12(13(10)16)14(18)19/h2-5,10,12-13H,6-8,17H2,1H3,(H,18,19)/t10-,12?,13-,16-/m0/s1
SMILES: CC1(OC[C@@H](O1)CC[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O)C
InChI: InChI=1S/C34H42O7/c1-34(2)39-23-28(41-34)18-19-29-31(35)33(38-22-27-16-10-5-11-17-27)32(37-21-26-14-8-4-9-15-26)30(40-29)24-36-20-25-12-6-3-7-13-25/h3-17,28-33,35H,18-24H2,1-2H3/t28-,29-,30+,31-,32+,33+/m0/s1
SMILES: CC(=O)C[C@@H]1[C@H]2[C@@H]([C@@H](ON2O[C@@H]1C(=O)OC)C(=O)OC)C(=O)OC
InChI: InChI=1S/C14H19NO9/c1-6(16)5-7-9-8(12(17)20-2)11(14(19)22-4)24-15(9)23-10(7)13(18)21-3/h7-11H,5H2,1-4H3/t7-,8+,9+,10+,11-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)OCC(=O)NC3=CC(=CC=C3)Br
InChI: InChI=1S/C17H20BrNO3/c18-14-2-1-3-15(9-14)19-16(20)10-22-17(21)8-13-7-11-4-5-12(13)6-11/h1-3,9,11-13H,4-8,10H2,(H,19,20)/t11-,12+,13-/m0/s1
SMILES: CC1=CC=CC=C1C(C)NC(=O)CN2C[C@@H]([C@H]([C@@H]2C3=CC=C(C=C3)OC)C(=O)O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C30H32N2O6/c1-18-6-4-5-7-23(18)19(2)31-27(33)16-32-15-24(21-10-13-25-26(14-21)38-17-37-25)28(30(34)35)29(32)20-8-11-22(36-3)12-9-20/h4-14,19,24,28-29H,15-17H2,1-3H3,(H,31,33)(H,34,35)/t19?,24-,28-,29+/m1/s1
SMILES: C[C@@H]1[C@H](C[C@@H]2[C@@H](O1)C[C@@H]3[C@@H](O2)CC[C@@H]4[C@@](O3)(CC=C(O4)OP(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C35H49O9PSi/c1-24-28(44-46(6,7)34(2,3)4)22-30-29(37-24)23-31-27(38-30)18-19-32-35(5,40-31)21-20-33(39-32)43-45(36,41-25-14-10-8-11-15-25)42-26-16-12-9-13-17-26/h8-17,20,24,27-32H,18-19,21-23H2,1-7H3/t24-,27+,28+,29+,30-,31-,32-,35+/m1/s1
SMILES: CC1=C(N(C2=C1C=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)CC4=CC=C(C=C4)OCCN5CCCCCC5)C6=CC=C(C=C6)OCC(C)(C)C
InChI: InChI=1S/C48H60N2O12/c1-30-39-27-38(61-47-45(60-33(4)53)43(59-32(3)52)42(58-31(2)51)44(62-47)46(54)55-8)21-22-40(39)50(41(30)35-15-19-37(20-16-35)57-29-48(5,6)7)28-34-13-17-36(18-14-34)56-26-25-49-23-11-9-10-12-24-49/h13-22,27,42-45,47H,9-12,23-26,28-29H2,1-8H3/t42-,43-,44-,45+,47+/m0/s1
SMILES: CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CNS(=O)(=O)C)C(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCC3=CC=CC=C3OC)C
InChI: InChI=1S/C34H54F2N6O7S/c1-32(2,3)23(17-38-50(10,47)48)40-31(46)41-27(33(4,5)6)30(45)42-18-20-25(34(20,7)8)26(42)29(44)39-21(15-24(35)36)28(43)37-16-19-13-11-12-14-22(19)49-9/h11-14,20-21,23-27,38H,15-18H2,1-10H3,(H,37,43)(H,39,44)(H2,40,41,46)/t20-,21-,23+,25-,26-,27+/m0/s1
SMILES: C1CC[C@H]2CN(CC[C@@H]2C1)C(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43
InChI: InChI=1S/C20H23N3O4/c24-17(23-10-9-13-5-1-2-6-14(13)11-23)12-27-20(26)18-15-7-3-4-8-16(15)19(25)22-21-18/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,22,25)/t13-,14-/m0/s1
SMILES: C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-]
InChI: InChI=1S/C19H27N3O5S/c1-21-10-12-22(13-11-21)28(26,27)15-8-6-14(7-9-15)20-18(23)16-4-2-3-5-17(16)19(24)25/h6-9,16-17H,2-5,10-13H2,1H3,(H,20,23)(H,24,25)/t16-,17-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C2=C(C[C@@](O2)(C([C@H](C([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)O)(C)O
InChI: InChI=1S/C37H65NO12/c1-14-25-37(10,43)30(40)20(4)28-18(2)16-36(9,50-28)32(49-34-27(39)24(38(11)12)15-19(3)45-34)21(5)29(22(6)33(42)47-25)48-26-17-35(8,44-13)31(41)23(7)46-26/h19-27,29-32,34,39-41,43H,14-17H2,1-13H3/t19-,20+,21+,22-,23+,24+,25-,26+,27-,29?,30-,31+,32?,34+,35-,36-,37-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC=C4F
InChI: InChI=1S/C15H12FNO2/c16-10-3-1-2-4-11(10)17-14(18)12-8-5-6-9(7-8)13(12)15(17)19/h1-6,8-9,12-13H,7H2/t8-,9+,12-,13+
SMILES: CCOC(=O)C1(CCCC1)C2=CC3=C(C=C2)[C@@H]([C@H](CO3)CC4=CC=C(C=C4)C5=CC=CC=C5)OC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)OC(C)(C)C
InChI: InChI=1S/C46H50N2O7/c1-5-52-43(50)46(23-11-12-24-46)35-21-22-37-40(27-35)53-29-34(25-30-17-19-32(20-18-30)31-13-7-6-8-14-31)41(37)54-42(49)39(48-44(51)55-45(2,3)4)26-33-28-47-38-16-10-9-15-36(33)38/h6-10,13-22,27-28,34,39,41,47H,5,11-12,23-26,29H2,1-4H3,(H,48,51)/t34-,39-,41+/m0/s1
SMILES: CC[C@@H]1CN([C@H]2C[C@@H]1[C@@H](C3=C2N(C4=CC=CC=C43)C)C(=O)OC)C(=O)C
InChI: InChI=1S/C21H26N2O3/c1-5-13-11-23(12(2)24)17-10-15(13)19(21(25)26-4)18-14-8-6-7-9-16(14)22(3)20(17)18/h6-9,13,15,17,19H,5,10-11H2,1-4H3/t13-,15+,17+,19+/m1/s1
SMILES: CCOC1=C(C=CC(=C1)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC=C(C=C6)C=CC7=C(C=CC(=C7)OC)OC)C(=O)N(C3=O)C8=CC=C(C=C8)C=CC9=C(C=CC(=C9)OC)OC)O
InChI: InChI=1S/C54H50N2O10/c1-6-66-47-29-35(15-24-44(47)57)48-40-22-23-41-49(53(60)55(51(41)58)36-16-9-31(10-17-36)7-13-33-27-38(62-2)20-25-45(33)64-4)42(40)30-43-50(48)54(61)56(52(43)59)37-18-11-32(12-19-37)8-14-34-28-39(63-3)21-26-46(34)65-5/h7-22,24-29,41-43,48-50,57H,6,23,30H2,1-5H3/t41-,42+,43+,48-,49-,50+/m0/s1
SMILES: CC1(N([C@H]([C@@H](O1)C(=O)O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C24H29NO6/c1-23(2,3)31-22(28)25-19(20(21(26)27)30-24(25,4)5)17-11-13-18(14-12-17)29-15-16-9-7-6-8-10-16/h6-14,19-20H,15H2,1-5H3,(H,26,27)/t19-,20+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H]2[C@@]([C@@H](C[C@@H]3[C@]24CCC(=O)[C@]4(OC3(C)C)O)OC(=O)CC5=CC=CC=C5)([C@]67[C@H](O6)C[C@H]([C@@]7([C@H]1OC(=O)C)C)C8=COC=C8)C
InChI: InChI=1S/C38H44O11/c1-20(39)45-30-31-35(6,37-28(48-37)17-24(23-13-15-44-19-23)34(37,5)32(30)46-21(2)40)27(47-29(42)16-22-10-8-7-9-11-22)18-25-33(3,4)49-38(43)26(41)12-14-36(25,31)38/h7-11,13,15,19,24-25,27-28,30-32,43H,12,14,16-18H2,1-6H3/t24-,25-,27+,28+,30+,31-,32-,34+,35+,36+,37+,38+/m0/s1