EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(C[C@@H]6CC[C@H]7C[C@@H]6C7(C)C)C[C@H](COCC8=CC=CC=C8)O)O)C(=C5)C(=O)C9=CC=CC=C9C1=CC=CC=C1)O)C
InChI: InChI=1S/C55H69NO5/c1-50(2)40-20-19-39(45(50)29-40)32-56(33-42(58)35-61-34-37-13-7-5-8-14-37)36-54(60)26-23-48-52(54,4)25-22-47-51(3)24-21-41(57)30-53(51)27-28-55(47,48)46(31-53)49(59)44-18-12-11-17-43(44)38-15-9-6-10-16-38/h5-18,27-28,31,39-42,45,47-48,57-58,60H,19-26,29-30,32-36H2,1-4H3/t39-,40-,41?,42+,45-,47+,48+,51+,52-,53-,54+,55+/m0/s1
SMILES: C[C@]12CCC(=O)C[C@H]1CC(=O)[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
InChI: InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11,13-14,17H,3-10H2,1-2H3/t11-,13-,14-,17-,18-,19-/m0/s1
SMILES: CC(C)(C)[C@@H]1CC=C2[C@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=C(C=C3)C(=O)OC
InChI: InChI=1S/C25H26N4O2/c1-24(2,3)17-9-10-18-19(11-17)21(15-5-7-16(8-6-15)23(30)31-4)25(13-27,14-28)22(29)20(18)12-26/h5-8,10,17,19-21,29H,9,11H2,1-4H3/t17-,19+,20?,21-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COC(=O)CCCCCCCCCCCC(=O)O)O
InChI: InChI=1S/C22H35N3O7/c23-18-12-13-25(22(30)24-18)19-14-16(26)17(32-19)15-31-21(29)11-9-7-5-3-1-2-4-6-8-10-20(27)28/h12-13,16-17,19,26H,1-11,14-15H2,(H,27,28)(H2,23,24,30)/t16-,17+,19+/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)CCOCCOCCO
InChI: InChI=1S/C34H43N3O9/c1-2-43-32-26(10-16-41-18-19-42-17-15-38)27(24-8-9-28-29(20-24)45-23-44-28)21-30(46-32)31(39)36-13-11-34(12-14-36)33(40)35-22-37(34)25-6-4-3-5-7-25/h3-9,20-21,26-27,32,38H,2,10-19,22-23H2,1H3,(H,35,40)/t26-,27-,32-/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCC(C(=O)OC)C(=O)OC)[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)NC8=CC=C(C=C8)N9CCOCC9
InChI: InChI=1S/C57H56N4O14/c1-69-33-34-74-56(68)60-44-26-21-36(13-12-19-42(52(64)70-2)53(65)71-3)35-43(44)57(55(60)67)46(51(63)58-39-22-24-40(25-23-39)59-27-30-72-31-28-59)48-54(66)75-49(38-16-8-5-9-17-38)47(37-14-6-4-7-15-37)61(48)50(57)41-18-10-11-20-45(41)73-32-29-62/h4-11,14-18,20-26,35,42,46-50,62H,19,27-34H2,1-3H3,(H,58,63)/t46-,47-,48-,49+,50+,57-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=S)N(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3
InChI: InChI=1S/C21H32N4O2S/c1-16-5-3-4-6-19(16)23-21(28)24(2)15-20(26)22-17-7-9-18(10-8-17)25-11-13-27-14-12-25/h7-10,16,19H,3-6,11-15H2,1-2H3,(H,22,26)(H,23,28)/t16-,19-/m1/s1
SMILES: CCCC[C@@H]1[C@H]([C@H](CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C)C)O
InChI: InChI=1S/C30H47NO6S/c1-8-9-12-22-27(34)18(2)11-10-13-30(7)25(37-30)15-23(19(3)14-21-17-38-20(4)31-21)36-26(33)16-24(32)29(5,6)28(22)35/h14,17-18,22-25,27,32,34H,8-13,15-16H2,1-7H3/b19-14+/t18-,22+,23-,24-,25-,27-,30+/m0/s1
SMILES: CC(=O)O[C@H]1C[C@H](C([C@]2([C@]1([C@H]3CC4=C(C=CO4)C(=C)[C@@H]3CC2)C)O)(C)C)OC(=O)C
InChI: InChI=1S/C24H32O6/c1-13-16-7-9-24(27)22(4,5)20(29-14(2)25)12-21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10,16,18,20-21,27H,1,7,9,11-12H2,2-6H3/t16-,18-,20+,21-,23-,24+/m0/s1
SMILES: CC(C)[C@@H]([C@H](C(=O)OC)NC(=O)[C@@H](CC1=CC=CC=C1)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@@H](CO2)OCC3=CC=CC=C3)OCC4=CC=C(C=C4)OC)OCC5=CC=C(C=C5)OC
InChI: InChI=1S/C46H55NO12/c1-30(2)41(40(45(50)53-6)47-44(49)38(58-31(3)48)25-32-13-9-7-10-14-32)59-46-43(56-28-35-19-23-37(52-5)24-20-35)42(55-27-34-17-21-36(51-4)22-18-34)39(29-57-46)54-26-33-15-11-8-12-16-33/h7-24,30,38-43,46H,25-29H2,1-6H3,(H,47,49)/t38-,39-,40-,41+,42+,43-,46+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C=CC6=CC(=C(C(=C6)OC)O)OC)C(=O)N(C5=O)C7=CC=C(C=C7)NC8=CC=CC=C8)C(=O)N(C3=O)NC9=C(C=C(C=C9)Cl)Cl
InChI: InChI=1S/C49H42Cl2N4O8/c1-61-33-17-10-28(11-18-33)49-37(21-9-27-23-41(62-2)44(56)42(24-27)63-3)34-19-20-35-43(36(34)26-38(49)46(58)55(48(49)60)53-40-22-12-29(50)25-39(40)51)47(59)54(45(35)57)32-15-13-31(14-16-32)52-30-7-5-4-6-8-30/h4-19,21-25,35-38,43,52-53,56H,20,26H2,1-3H3/t35-,36+,37-,38-,43-,49-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI: InChI=1S/C22H25NO4/c1-16-7-5-6-10-20(16)23-21(24)15-26-22(25)17-11-13-19(14-12-17)27-18-8-3-2-4-9-18/h2-4,8-9,11-14,16,20H,5-7,10,15H2,1H3,(H,23,24)/t16-,20-/m0/s1
SMILES: C[C@H](CCC(=O)C(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)[C@H]5[C@@H]([C@]34C)O5)C
InChI: InChI=1S/C27H38O4/c1-15(6-11-22(29)25(2,3)30)18-9-10-19-17-8-7-16-14-21(28)23-24(31-23)27(16,5)20(17)12-13-26(18,19)4/h7-8,14-15,17-20,23-24,30H,6,9-13H2,1-5H3/t15-,17+,18-,19+,20+,23+,24+,26-,27+/m1/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OS(=O)(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O
InChI: InChI=1S/C31H50O5S/c1-19-11-16-31(26(32)33)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(36-37(8,34)35)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25H,10-18H2,1-8H3,(H,32,33)/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@H](CC3=CC=CC=C23)OC(=O)[C@H](CC(C)C)[C@@H](CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)O
InChI: InChI=1S/C40H49NO6SSi/c1-28(2)25-35(36(42)27-46-49(40(4,5)6,32-16-9-7-10-17-32)33-18-11-8-12-19-33)39(43)47-37-26-30-15-13-14-20-34(30)38(37)41-48(44,45)31-23-21-29(3)22-24-31/h7-24,28,35-38,41-42H,25-27H2,1-6H3/t35-,36-,37+,38-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@@H](N(C(=O)N([C@@H]2N(C(=O)N1C)C)C)C)C3=CC(=C(C=C3)O)OC
InChI: InChI=1S/C18H26N4O4/c1-10-14-15(11-7-8-12(23)13(9-11)26-6)20(3)18(25)22(5)16(14)21(4)17(24)19(10)2/h7-10,14-16,23H,1-6H3/t10-,14-,15+,16+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](N4[C@@H]3C5=CC=CC=C5C=C4)C(=O)N
InChI: InChI=1S/C22H19N3O3/c1-12-6-8-14(9-7-12)25-21(27)16-17(22(25)28)19(20(23)26)24-11-10-13-4-2-3-5-15(13)18(16)24/h2-11,16-19H,1H3,(H2,23,26)/t16-,17+,18-,19-/m1/s1
SMILES: CCOC(=O)[C@]1([C@H]([C@H](C(=O)N1)CC(=C)C)CCNS(=O)(=O)C2=CC=C(C=C2)C)[C@H](CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C45H54N2O8SSi/c1-8-53-43(50)45(39(38(30-32(2)3)41(48)47-45)28-29-46-56(51,52)35-26-24-33(4)25-27-35)40(55-42(49)34-18-12-9-13-19-34)31-54-57(44(5,6)7,36-20-14-10-15-21-36)37-22-16-11-17-23-37/h9-27,38-40,46H,2,8,28-31H2,1,3-7H3,(H,47,48)/t38-,39+,40+,45+/m1/s1
SMILES: CC1=C2C(=C(C=C1)Cl)[C@@H]3C=CC[C@@H]3[C@@H](N2)C4=CC=C(C=C4)C(=O)[O-]
InChI: InChI=1S/C20H18ClNO2/c1-11-5-10-16(21)17-14-3-2-4-15(14)19(22-18(11)17)12-6-8-13(9-7-12)20(23)24/h2-3,5-10,14-15,19,22H,4H2,1H3,(H,23,24)/p-1/t14-,15+,19+/m1/s1
SMILES: C1C[C@@H](OC1)CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O
InChI: InChI=1S/C21H25NO5/c23-14-4-3-12-10-16-21(25)6-5-15(24)19-20(21,17(12)18(14)27-19)7-8-22(16)11-13-2-1-9-26-13/h3-4,13,16,19,23,25H,1-2,5-11H2/t13-,16-,19+,20+,21-/m1/s1
SMILES: CC(C)(C)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C6=CC=CC=C6C=C5)O)C7=CC=C(C=C7)Cl)NC8=CC=C(C=C8)F
InChI: InChI=1S/C40H35ClFN3O5/c1-39(2,3)44-35(47)28-19-18-27-30(32(28)37(44)49)20-31-36(48)45(43-25-15-13-24(42)14-16-25)38(50)40(31,22-9-11-23(41)12-10-22)33(27)29-17-8-21-6-4-5-7-26(21)34(29)46/h4-18,28,30-33,43,46H,19-20H2,1-3H3/t28-,30+,31-,32-,33+,40+/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(=C(C(=C7)I)O)OC)C(=O)N(C5=O)C8=CC=C(C=C8)N9CCOCC9
InChI: InChI=1S/C44H41IN4O7/c1-25-8-10-28(11-9-25)46-49-41(52)34-24-33-31(38(26-22-35(45)39(50)36(23-26)55-2)44(34,43(49)54)27-6-4-3-5-7-27)16-17-32-37(33)42(53)48(40(32)51)30-14-12-29(13-15-30)47-18-20-56-21-19-47/h3-16,22-23,32-34,37-38,46,50H,17-21,24H2,1-2H3/t32-,33+,34-,37-,38-,44+/m0/s1
SMILES: CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C
InChI: InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21+,23-/m1/s1
SMILES: COC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C4=C5CCCCC5)OC
InChI: InChI=1S/C23H25NO4/c1-27-14-8-11-17(18(12-14)28-2)24-22(25)20-15-9-10-16(21(20)23(24)26)19(15)13-6-4-3-5-7-13/h8-12,15-16,20-21H,3-7H2,1-2H3/t15-,16+,20-,21-/m0/s1
SMILES: COC(=O)C[C@H]1CCC(=O)[C@@H]1C/C=C/C[C@@H]2[C@H](CCC2=O)CC(=O)OC
InChI: InChI=1S/C20H28O6/c1-25-19(23)11-13-7-9-17(21)15(13)5-3-4-6-16-14(8-10-18(16)22)12-20(24)26-2/h3-4,13-16H,5-12H2,1-2H3/b4-3+/t13-,14-,15-,16-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OCC2=CC=CC=C2)N=[N+]=[N-])SC3=CC=CC=C3)COCC4=CC=CC=C4
InChI: InChI=1S/C32H41N3O4SSi/c1-32(2,3)41(4,5)39-29-27(23-36-21-24-15-9-6-10-16-24)38-31(40-26-19-13-8-14-20-26)28(34-35-33)30(29)37-22-25-17-11-7-12-18-25/h6-20,27-31H,21-23H2,1-5H3/t27-,28-,29-,30-,31-/m1/s1
SMILES: CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)C3=CN=C(S3)OC)COC)C(=O)O
InChI: InChI=1S/C27H38N2O6S/c1-16(2)12-27(24(31)32)13-18(15-33-6)22(21-14-28-25(35-8)36-21)29(27)23(30)17-9-10-19(26(3,4)5)20(11-17)34-7/h9-11,14,16,18,22H,12-13,15H2,1-8H3,(H,31,32)/t18-,22-,27+/m1/s1
SMILES: C1C[C@H]2N(C(=O)[C@@H]1[C@]3(N2C4=CC=CC=C4O3)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C24H20N2O2/c27-23-19-15-16-22(25(23)18-11-5-2-6-12-18)26-20-13-7-8-14-21(20)28-24(19,26)17-9-3-1-4-10-17/h1-14,19,22H,15-16H2/t19-,22+,24+/m1/s1
SMILES: C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)OC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C17H22N2O7S/c1-10(15(21)18-11-6-7-27(24,25)9-11)26-14(20)8-19-16(22)12-4-2-3-5-13(12)17(19)23/h2-3,10-13H,4-9H2,1H3,(H,18,21)/t10-,11-,12-,13+/m0/s1
SMILES: C[C@H]1[C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]2CC=C[C@@H](O2)C[C@H](CC=C(/C=C/C(=O)O[C@@H]1[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC)O)C)O)OC)C)OC)O
InChI: InChI=1S/C44H73NO11/c1-27-15-18-34(47)23-35-13-12-14-36(55-35)24-39(52-9)32(6)40(53-10)25-38(49)31(5)44(56-41(50)20-16-27)33(7)42(51)28(2)17-19-37(48)30(4)43(54-11)29(3)21-22-45(8)26-46/h12-13,15-16,20-22,26,28-36,38-40,42-44,47,49,51H,14,17-19,23-25H2,1-11H3/b20-16+,22-21+,27-15?/t28-,29+,30-,31-,32+,33-,34-,35+,36-,38+,39-,40-,42-,43+,44-/m0/s1
SMILES: CC(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=N)C(Cl)(Cl)Cl)COCC(=O)OC
InChI: InChI=1S/C17H22Cl3NO11/c1-7(22)28-12-10(5-27-6-11(25)26-4)31-15(32-16(21)17(18,19)20)14(30-9(3)24)13(12)29-8(2)23/h10,12-15,21H,5-6H2,1-4H3/t10-,12+,13+,14-,15-/m1/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)CCC(=O)OC)C)O[C@H]1CCC(C)OC(=O)C
InChI: InChI=1S/C23H40O6/c1-15-11-13-23(28-20(15)9-8-18(4)27-19(5)24)14-12-17(3)22(29-23)16(2)7-10-21(25)26-6/h15-18,20,22H,7-14H2,1-6H3/t15-,16-,17+,18?,20+,22+,23-/m1/s1
SMILES: CCOC(=O)C[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O[C@@H]2[C@@H](C3CC[C@H]([C@H]4[C@]35[C@H](O2)O[C@@](CC4)(OO5)C)C)C
InChI: InChI=1S/C26H35NO9/c1-5-31-22(28)14-21(17-7-9-18(10-8-17)27(29)30)32-23-16(3)20-11-6-15(2)19-12-13-25(4)34-24(33-23)26(19,20)36-35-25/h7-10,15-16,19-21,23-24H,5-6,11-14H2,1-4H3/t15-,16-,19+,20?,21+,23+,24-,25-,26-/m1/s1
SMILES: CCCN([C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC(=C(C=C6)OC)C=O)OCC=C)CCCCO)CCCCO)C(=O)OCCC=C
InChI: InChI=1S/C48H64N2O11/c1-5-8-26-57-47(54)50(22-6-2)43-31-40(49-61-44-17-11-14-27-56-44)38-29-33(15-9-12-23-51)37(16-10-13-24-52)45-39-30-36(59-35-18-20-41(55-4)34(28-35)32-53)19-21-42(39)60-48(43,46(38)45)58-25-7-3/h5,7,18-21,28-30,32-33,37,43-46,51-52H,1,3,6,8-17,22-27,31H2,2,4H3/t33-,37+,43-,44?,45+,46+,48+/m0/s1
SMILES: CCCOC1=CC2=C(C=C1C=N[C@@H]3CCCC[C@H]3N=CC4=CC(=C(C=C4OCCC)C=N[C@@H]5CCCC[C@H]5N=CC6=C(C=C(C=N[C@@H]7CCCC[C@H]7N=C2)C(=C6)OCCC)OCCC)OCCC)OCCC
InChI: InChI=1S/C60H84N6O6/c1-7-25-67-55-31-44-38-62-51-21-15-16-22-52(51)64-40-46-34-60(72-30-12-6)48(36-59(46)71-29-11-5)42-66-54-24-18-17-23-53(54)65-41-47-35-57(69-27-9-3)45(33-58(47)70-28-10-4)39-63-50-20-14-13-19-49(50)61-37-43(55)32-56(44)68-26-8-2/h31-42,49-54H,7-30H2,1-6H3/t49-,50-,51-,52-,53-,54-/m1/s1
SMILES: CCCCCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)NC3S2)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI: InChI=1S/C25H34N2O4S/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)22-13-19-15-27(25(30)26-24(19)32-22)23-14-20(29)21(16-28)31-23/h9-13,15,20-21,23-24,28-29H,2-8,14,16H2,1H3,(H,26,30)/t20-,21+,23+,24?/m0/s1
SMILES: CN([C@H]1CCCC[C@H]1N2CCCC2)C(=O)CC3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C23H30N2O/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-18-12-13-19-8-2-3-9-20(19)16-18/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21-,22+/m0/s1
SMILES: C[C@]12CCC(=O)C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)COC(=O)/C=C/C6=C(C=CC(=C6)O)NC(=O)/C=C/C(=O)O)C)(C)C
InChI: InChI=1S/C43H55NO9/c1-38(2)19-20-42(37(51)52)21-22-43(25-53-36(50)14-7-26-23-27(45)8-10-30(26)44-34(47)12-13-35(48)49)28(29(42)24-38)9-11-32-40(5)17-16-33(46)39(3,4)31(40)15-18-41(32,43)6/h7-10,12-14,23,29,31-32,45H,11,15-22,24-25H2,1-6H3,(H,44,47)(H,48,49)(H,51,52)/b13-12+,14-7+/t29?,31?,32?,40-,41+,42-,43-/m0/s1
SMILES: CCCC12O[C@H]3C[C@H]4C5CC[C@H]6C[C@@H]([C@H](C[C@@]6(C5CC[C@@]4(C3[C@](O1)([C@H](O2)CC(CC)C(C)C)C)C)C)OS(=O)(=O)O)OS(=O)(=O)O
InChI: InChI=1S/C33H56O11S2/c1-8-13-33-40-26-17-24-22-11-10-21-16-25(42-45(34,35)36)27(43-46(37,38)39)18-31(21,6)23(22)12-14-30(24,5)29(26)32(7,44-33)28(41-33)15-20(9-2)19(3)4/h19-29H,8-18H2,1-7H3,(H,34,35,36)(H,37,38,39)/t20?,21-,22?,23?,24-,25-,26-,27-,28+,29?,30-,31-,32+,33?/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)OCCCCCO)C(=O)O)N=C(N)N
InChI: InChI=1S/C17H30N4O8/c1-9(24)20-13-10(21-17(18)19)7-12(16(26)27)29-15(13)14(11(25)8-23)28-6-4-2-3-5-22/h7,10-11,13-15,22-23,25H,2-6,8H2,1H3,(H,20,24)(H,26,27)(H4,18,19,21)/t10-,11+,13+,14+,15+/m0/s1
SMILES: CCCCS(=O)(=O)C[C@@]1([C@@H]2C[C@@H]([C@@]([C@H](C2)OC(=O)C3=CC=CC=C3)(C)O)OO1)C
InChI: InChI=1S/C21H30O7S/c1-4-5-11-29(24,25)14-20(2)16-12-17(21(3,23)18(13-16)27-28-20)26-19(22)15-9-7-6-8-10-15/h6-10,16-18,23H,4-5,11-14H2,1-3H3/t16-,17-,18-,20+,21-/m0/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)NC4=O
InChI: InChI=1S/C24H20BrNO6/c1-2-32-17-5-3-4-11(22(17)29)18-10-6-7-12-19(24(31)26-23(12)30)13(10)8-14-20(18)16(27)9-15(25)21(14)28/h3-6,9,12-13,18-19,29H,2,7-8H2,1H3,(H,26,30,31)/t12-,13+,18+,19-/m0/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(C4CCCCCC4)C(=O)CCC5CCCC5)C(=O)NCCO)CO
InChI: InChI=1S/C32H46N2O7/c1-40-26-17-21(19-36)16-23-28-24(32(39)33-14-15-35)18-25(29(38)31(28)41-30(23)26)34(22-10-4-2-3-5-11-22)27(37)13-12-20-8-6-7-9-20/h16-18,20,22,25,28-29,31,35-36,38H,2-15,19H2,1H3,(H,33,39)/t25-,28+,29+,31+/m1/s1
SMILES: CC1=C(NC2=C1CC3[C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)OC)CCN4C)C(=O)N7CCN(CC7)CC8=CC=C(C=C8)F
InChI: InChI=1S/C33H37FN4O3/c1-19-23-17-24-25-16-21-6-9-26(40-3)30-27(21)33(24,10-11-36(25)2)31(41-30)29(23)35-28(19)32(39)38-14-12-37(13-15-38)18-20-4-7-22(34)8-5-20/h4-9,24-25,31,35H,10-18H2,1-3H3/t24?,25-,31+,33+/m1/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5O
InChI: InChI=1S/C24H20N2O4/c1-15-8-7-11-17(14-15)25-23(28)20-21(18-12-5-6-13-19(18)27)26(30-22(20)24(25)29)16-9-3-2-4-10-16/h2-14,20-22,27H,1H3/t20-,21+,22-/m1/s1
SMILES: CC1([C@H]([C@H](N[C@@H]([C@@H]1[N+](=O)[O-])C2=CC=CC=N2)C3=CC=CC=N3)[N+](=O)[O-])C
InChI: InChI=1S/C17H19N5O4/c1-17(2)15(21(23)24)13(11-7-3-5-9-18-11)20-14(16(17)22(25)26)12-8-4-6-10-19-12/h3-10,13-16,20H,1-2H3/t13-,14-,15+,16+/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)SC3=CC=CC=C3)OCC4=CC=CC=C4)O)OCC5=CC=CC=C5
InChI: InChI=1S/C33H34O5S/c34-30-31(36-22-26-15-7-2-8-16-26)29(24-35-21-25-13-5-1-6-14-25)38-33(39-28-19-11-4-12-20-28)32(30)37-23-27-17-9-3-10-18-27/h1-20,29-34H,21-24H2/t29-,30+,31+,32-,33+/m1/s1
SMILES: CC1=C([C@@H]2C[C@@]([C@H]3[C@@H]2[C@@H]1CC3)(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C21H40O2Si2/c1-14-15-11-12-17-18(15)16(19(14)22-24(6,7)8)13-21(17,5)23-25(9,10)20(2,3)4/h15-18H,11-13H2,1-10H3/t15-,16-,17-,18-,21-/m1/s1
SMILES: C[C@H](CCC1=NC(CO1)(C)C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)C
InChI: InChI=1S/C28H47NO2/c1-18(6-11-25-29-26(2,3)17-31-25)22-9-10-23-21-8-7-19-16-20(30)12-14-27(19,4)24(21)13-15-28(22,23)5/h18-24,30H,6-17H2,1-5H3/t18-,19-,20-,21+,22-,23+,24+,27+,28-/m1/s1
SMILES: C[C@]12C[C@H]([C@@H](C(=O)N1CC=C)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4O2
InChI: InChI=1S/C22H22N2O3/c1-3-13-24-21(26)19(20(25)23-15-9-5-4-6-10-15)17-14-22(24,2)27-18-12-8-7-11-16(17)18/h3-12,17,19H,1,13-14H2,2H3,(H,23,25)/t17-,19+,22-/m0/s1
SMILES: CC[C@H]1C=CCC[C@]2(O1)C[C@@H]3CC[C@@H]4[N+]3=C(N2)N[C@]5([C@H]4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@H](CCN)O)CCC[C@H](O5)C
InChI: InChI=1S/C45H80N6O6/c1-3-38-22-16-17-27-44(57-38)33-36-24-25-39-41(45(28-19-21-35(2)56-45)49-43(48-44)51(36)39)42(54)55-32-18-14-12-10-8-6-4-5-7-9-11-13-15-23-40(53)50(31-20-29-46)34-37(52)26-30-47/h16,22,35-39,41,52H,3-15,17-21,23-34,46-47H2,1-2H3,(H,48,49)/p+1/t35-,36+,37+,38+,39+,41-,44+,45-/m1/s1
SMILES: C=CCN1C(=O)C2=CC=CC=C2N=C1S[C@H]3CS(=O)(=O)C[C@@H]3O
InChI: InChI=1S/C15H16N2O4S2/c1-2-7-17-14(19)10-5-3-4-6-11(10)16-15(17)22-13-9-23(20,21)8-12(13)18/h2-6,12-13,18H,1,7-9H2/t12-,13-/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@@H]3[C@H](O[C@@H]([C@H]3O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)[C@H](C#C)O)COC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C59H62O5Si2/c1-8-52(60)54-56(64-66(58(5,6)7,50-40-26-14-27-41-50)51-42-28-15-29-43-51)55(63-65(57(2,3)4,48-36-22-12-23-37-48)49-38-24-13-25-39-49)53(62-54)44-61-59(45-30-16-9-17-31-45,46-32-18-10-19-33-46)47-34-20-11-21-35-47/h1,9-43,52-56,60H,44H2,2-7H3/t52-,53+,54+,55+,56+/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(=C4)CNC(=O)C5=NC6=CC=CC=C6N=C5)CSC7=NN=NN7C
InChI: InChI=1S/C37H35N7O4S/c1-23-33(22-49-37-41-42-43-44(37)2)47-36(48-34(23)27-12-10-24(21-45)11-13-27)28-16-14-26(15-17-28)29-7-5-6-25(18-29)19-39-35(46)32-20-38-30-8-3-4-9-31(30)40-32/h3-18,20,23,33-34,36,45H,19,21-22H2,1-2H3,(H,39,46)/t23-,33+,34+,36+/m1/s1
SMILES: C1C[C@@H]2[C@H]3[C@@H]4CC[C@@H]5[C@H]3[C@H]1C6=C2[C@@H]7CC8=C4[C@@]5([C@H]9[C@H]8[C@@H]7[C@@H]6C9)N1C(=O)N(C(=O)N1)C1=CC=CC=C1
InChI: InChI=1S/C30H29N3O2/c34-28-31-33(29(35)32(28)12-4-2-1-3-5-12)30-19-9-8-15-21-13-6-7-14(25(19)21)23-17-11-20(30)26-18(27(15)30)10-16(22(13)23)24(17)26/h1-5,13-17,19-21,24-26H,6-11H2,(H,31,34)/t13-,14-,15+,16+,17-,19-,20-,21+,24+,25-,26+,30-/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)NC(=O)C2(CC2)C3=CC=C(C=C3)Cl)OCC4=CC=CC=C4
InChI: InChI=1S/C23H26ClNO2/c24-19-12-10-18(11-13-19)23(14-15-23)22(26)25-20-8-4-5-9-21(20)27-16-17-6-2-1-3-7-17/h1-3,6-7,10-13,20-21H,4-5,8-9,14-16H2,(H,25,26)/t20-,21-/m1/s1
SMILES: CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CC=C5[C@@]4(CC[C@@H](C5)O)C)C)CCC(C)CSSCC(C)CCC6=C([C@H]7[C@@H](O6)C[C@@H]8[C@@]7(CC[C@H]9[C@H]8CC=C1[C@@]9(CC[C@@H](C1)O)C)C)C
InChI: InChI=1S/C54H82O4S2/c1-31(9-15-45-33(3)49-47(57-45)27-43-39-13-11-35-25-37(55)17-21-51(35,5)41(39)19-23-53(43,49)7)29-59-60-30-32(2)10-16-46-34(4)50-48(58-46)28-44-40-14-12-36-26-38(56)18-22-52(36,6)42(40)20-24-54(44,50)8/h11-12,31-32,37-44,47-50,55-56H,9-10,13-30H2,1-8H3/t31?,32?,37-,38-,39+,40+,41-,42-,43-,44-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1
SMILES: CCCCN1C(=O)[C@]2(CC3=C(N=C4C(=CC=CN4C3=O)C)N5[C@@H]2CCCCC5)C(=O)NC1=O
InChI: InChI=1S/C24H29N5O4/c1-3-4-11-29-22(32)24(21(31)26-23(29)33)14-16-19(27-12-7-5-6-10-17(24)27)25-18-15(2)9-8-13-28(18)20(16)30/h8-9,13,17H,3-7,10-12,14H2,1-2H3,(H,26,31,33)/t17-,24+/m1/s1
SMILES: CC(C)(C)NC(=O)C1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CSC3=CC=CC=C3)NC(=O)C4=C5CCCNC5=CC=C4)O
InChI: InChI=1S/C34H48N4O3S/c1-34(2,3)37-33(41)30-19-23-11-7-8-12-24(23)20-38(30)21-31(39)29(22-42-25-13-5-4-6-14-25)36-32(40)27-15-9-17-28-26(27)16-10-18-35-28/h4-6,9,13-15,17,23-24,29-31,35,39H,7-8,10-12,16,18-22H2,1-3H3,(H,36,40)(H,37,41)/t23-,24+,29-,30?,31+/m0/s1
SMILES: CC1=C2CC(=O)[C@H]3CC[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C
InChI: InChI=1S/C42H51NO12/c1-23-28-20-29(45)27-18-19-31-41(22-51-31,54-24(2)44)32(27)35(53-36(47)26-16-12-9-13-17-26)42(50,40(28,6)7)21-30(23)52-37(48)34(46)33(25-14-10-8-11-15-25)43-38(49)55-39(3,4)5/h8-17,27,30-35,46,50H,18-22H2,1-7H3,(H,43,49)/t27-,30+,31-,32-,33+,34-,35+,41+,42-/m1/s1
SMILES: CC1=CC2=C(C=C1)NC(=O)[C@@]23[C@H]4[C@@H]([C@@H]([NH2+]3)CCC(=O)[O-])C(=O)N(C4=O)CC5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C25H23N3O7/c1-12-2-4-15-14(8-12)25(24(33)26-15)21-20(16(27-25)5-7-19(29)30)22(31)28(23(21)32)10-13-3-6-17-18(9-13)35-11-34-17/h2-4,6,8-9,16,20-21,27H,5,7,10-11H2,1H3,(H,26,33)(H,29,30)/t16-,20+,21-,25-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5)Cl)O)OC)C(=O)N(C4=O)C)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C29H27ClN2O6/c1-29-19(26(35)32(28(29)37)15-7-5-4-6-8-15)13-18-16(9-10-17-22(18)27(36)31(2)25(17)34)23(29)14-11-20(30)24(33)21(12-14)38-3/h4-9,11-12,17-19,22-23,33H,10,13H2,1-3H3/t17-,18+,19-,22-,23-,29+/m0/s1
SMILES: CC1=C2CC=C3[C@](C2=CC(=C1OC(=O)C)OC(=O)C)(CC[C@@]4([C@@]3(CC[C@@]5(C4C[C@H](CC5)COC(=O)C)C)C)C)C
InChI: InChI=1S/C34H46O6/c1-20-25-9-10-28-32(6,26(25)18-27(39-22(3)36)30(20)40-23(4)37)14-16-34(8)29-17-24(19-38-21(2)35)11-12-31(29,5)13-15-33(28,34)7/h10,18,24,29H,9,11-17,19H2,1-8H3/t24-,29?,31+,32-,33+,34-/m0/s1
SMILES: CCN(CC)C1=NC=NC2=C1N=CN2C3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C14H21N5O4/c1-3-18(4-2)12-9-13(16-6-15-12)19(7-17-9)14-11(22)10(21)8(5-20)23-14/h6-8,10-11,14,20-22H,3-5H2,1-2H3/t8-,10-,11-,14?/m1/s1
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)[O-])C)(C)C(=O)[O-].[K+].[K+]
InChI: InChI=1S/C30H45O4.2K/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6;;/h16,19,21-23H,8-15,17H2,1-7H3,(H,33,34);;/q-1;2*+1/p-1/t19-,21-,22-,23+,26+,27-,28-,29+,30+;;/m0../s1
SMILES: CC1(C(N2[C@H](S1)[C@@H](C2=O)NS(=O)(=O)C3=CNC(=O)NC3=O)C(=O)O)C
InChI: InChI=1S/C12H14N4O7S2/c1-12(2)6(10(19)20)16-8(18)5(9(16)24-12)15-25(22,23)4-3-13-11(21)14-7(4)17/h3,5-6,9,15H,1-2H3,(H,19,20)(H2,13,14,17,21)/t5-,6?,9-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3=NC(=CS3)C4=CC[N+](CC4)(C)CC(=O)N)C(=O)[O-])[C@@H](C)O
InChI: InChI=1S/C21H26N4O5S2/c1-10-16-15(11(2)26)19(28)24(16)17(20(29)30)18(10)32-21-23-13(9-31-21)12-4-6-25(3,7-5-12)8-14(22)27/h4,9-11,15-16,26H,5-8H2,1-3H3,(H2-,22,27,29,30)/t10-,11-,15-,16-,25?/m1/s1
SMILES: CCCOC(=O)[C@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)[C@@H](C)C4=CC=C(C=C4)Br)O2
InChI: InChI=1S/C20H22BrNO4/c1-3-10-25-19(24)16-15-8-9-20(26-15)11-22(18(23)17(16)20)12(2)13-4-6-14(21)7-5-13/h4-9,12,15-17H,3,10-11H2,1-2H3/t12-,15+,16-,17-,20+/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4O)Cl)C5=CC=C(C=C5)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)CC7=CC=CC=C7
InChI: InChI=1S/C33H25Cl2FN2O5/c34-32-16-24-21(14-15-23-26(24)29(41)37(28(23)40)17-18-6-2-1-3-7-18)27(22-8-4-5-9-25(22)39)33(32,35)31(43)38(30(32)42)20-12-10-19(36)11-13-20/h1-14,23-24,26-27,39H,15-17H2/t23-,24+,26-,27+,32+,33-/m0/s1
SMILES: CCCCCCCC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C30H36Cl2N2O5/c1-2-3-4-5-6-11-26(36)34(18-19-12-13-22(31)23(32)16-19)24-17-21(30(38)33-14-15-35)27-20-9-7-8-10-25(20)39-29(27)28(24)37/h7-10,12-13,16-17,24,27-29,35,37H,2-6,11,14-15,18H2,1H3,(H,33,38)/t24-,27+,28+,29+/m1/s1
SMILES: CCO[C@@]1([C@@H](C2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@](CC3)(OO4)C)C)C)C(F)(F)F
InChI: InChI=1S/C18H27F3O5/c1-5-22-17(18(19,20)21)11(3)13-7-6-10(2)12-8-9-15(4)23-14(24-17)16(12,13)26-25-15/h10-14H,5-9H2,1-4H3/t10-,11-,12+,13?,14+,15+,16-,17-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)C1=CC=C(C=C1)F)N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C20H20FNO5/c1-10(20(26)27-9-15(23)11-4-6-14(21)7-5-11)22-18(24)16-12-2-3-13(8-12)17(16)19(22)25/h4-7,10,12-13,16-17H,2-3,8-9H2,1H3/t10-,12-,13+,16-,17-/m0/s1
SMILES: C1CCO[C@@H]2CC(=O)[C@H](O[C@H]2C1)C[C@H]3[C@@H](CCCCO3)OCC4=CC=CC=C4
InChI: InChI=1S/C23H32O5/c24-18-14-22-20(11-5-7-12-25-22)28-21(18)15-23-19(10-4-6-13-26-23)27-16-17-8-2-1-3-9-17/h1-3,8-9,19-23H,4-7,10-16H2/t19-,20+,21-,22-,23+/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCCCCC(=O)NC2=CC=CC=C2N)C(C)C)CCOCCOCCO
InChI: InChI=1S/C28H45N3O7/c1-4-37-28-21(12-15-35-17-18-36-16-14-32)22(20(2)3)19-25(38-28)27(34)30-13-8-7-11-26(33)31-24-10-6-5-9-23(24)29/h5-6,9-10,19-22,28,32H,4,7-8,11-18,29H2,1-3H3,(H,30,34)(H,31,33)/t21-,22-,28-/m0/s1