EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC(=C(C=C1)C)[C@@H]2CN3CCC4=CC(=C(C=C4[C@H]3C[C@H]2N)OC)OS(=O)(=O)C
InChI: InChI=1S/C23H30N2O4S/c1-14-5-6-15(2)17(9-14)19-13-25-8-7-16-10-23(29-30(4,26)27)22(28-3)11-18(16)21(25)12-20(19)24/h5-6,9-11,19-21H,7-8,12-13,24H2,1-4H3/t19-,20+,21+/m0/s1
SMILES: CS(=O)(=O)NC1=CC2=C(C=C1)C34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5
InChI: InChI=1S/C22H25N3O4S/c1-30(27,28)23-13-2-3-15-16(8-13)25-19(26)10-17-20-14-9-18-22(15,21(20)25)5-6-24(18)11-12(14)4-7-29-17/h2-4,8,14,17-18,20-21,23H,5-7,9-11H2,1H3/t14-,17-,18-,20-,21-,22?/m0/s1
SMILES: C[C@]12CCC(=O)N([C@@H]1CC[C@@H]3C2=CCC(C3C(=O)SC4=CC=CC=N4)C(F)(F)F)C
InChI: InChI=1S/C22H25F3N2O2S/c1-21-11-10-18(28)27(2)16(21)9-6-13-14(21)7-8-15(22(23,24)25)19(13)20(29)30-17-5-3-4-12-26-17/h3-5,7,12-13,15-16,19H,6,8-11H2,1-2H3/t13-,15?,16-,19?,21-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H](N=C(O2)C3=CC=C(C=C3)OC)C(=O)OC
InChI: InChI=1S/C19H19NO4/c1-12-4-6-13(7-5-12)17-16(19(21)23-3)20-18(24-17)14-8-10-15(22-2)11-9-14/h4-11,16-17H,1-3H3/t16-,17+/m0/s1
SMILES: C[C@@H]1CN(C[C@@H](O1)C)CC2=CC=C(C=C2)CN3C(=O)[C@@H]4CC=CC[C@@H]4C(=N3)C5=CC(=C(C=C5)OC)OC
InChI: InChI=1S/C30H37N3O4/c1-20-16-32(17-21(2)37-20)18-22-9-11-23(12-10-22)19-33-30(34)26-8-6-5-7-25(26)29(31-33)24-13-14-27(35-3)28(15-24)36-4/h5-6,9-15,20-21,25-26H,7-8,16-19H2,1-4H3/t20-,21+,25-,26+/m0/s1
SMILES: CC(C)C[C@@H](C(=O)NC)NC(=O)CNC(=O)[C@H]1[C@H]([C@@H]([C@@H](N1C(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C43H63N7O10/c1-26(2)20-30(38(53)44-8)48-32(51)22-46-40(55)34-36(58-24-28-16-12-10-13-17-28)37(59-25-29-18-14-11-15-19-29)35(50(34)42(57)60-43(5,6)7)41(56)47-23-33(52)49-31(21-27(3)4)39(54)45-9/h10-19,26-27,30-31,34-37H,20-25H2,1-9H3,(H,44,53)(H,45,54)(H,46,55)(H,47,56)(H,48,51)(H,49,52)/t30-,31-,34+,35+,36+,37+/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)CN3CCC(CC3)C(=O)N)C(=O)OCC=C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H39N3O5SSi/c1-8-13-31-23(30)19-17(14-26-11-9-16(10-12-26)20(25)28)33-22-18(21(29)27(19)22)15(2)32-34(6,7)24(3,4)5/h8,15-16,18,22H,1,9-14H2,2-7H3,(H2,25,28)/t15-,18+,22-/m1/s1
SMILES: CCC[C@@](C)([C@@H]([C@H]1[C@@H](C[C@@H](N1)C(=O)O)/C=C\C)NC(=O)C)OC
InChI: InChI=1S/C17H30N2O4/c1-6-8-12-10-13(16(21)22)19-14(12)15(18-11(3)20)17(4,23-5)9-7-2/h6,8,12-15,19H,7,9-10H2,1-5H3,(H,18,20)(H,21,22)/b8-6-/t12-,13-,14-,15-,17+/m1/s1
SMILES: CCOC(=O)C1=NC(=C(N=C1Cl)Cl)[C@H]2[C@@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C33H32Cl2N2O6/c1-2-40-33(38)27-32(35)37-31(34)26(36-27)29-30(42-20-24-16-10-5-11-17-24)28(41-19-23-14-8-4-9-15-23)25(43-29)21-39-18-22-12-6-3-7-13-22/h3-17,25,28-30H,2,18-21H2,1H3/t25-,28-,29+,30-/m1/s1
SMILES: CC(=O)[C@]1(CCC=C[C@@H]1OC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C16H17NO6/c1-11(18)16(10-4-3-5-14(16)22-2)23-15(19)12-6-8-13(9-7-12)17(20)21/h3,5-9,14H,4,10H2,1-2H3/t14-,16-/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O
InChI: InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1
SMILES: CC(C)(C)OC(=O)C1=C(N(N=N1)[C@H]2CC(=NOCC3=CC=C(C=C3)[N+](=O)[O-])C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OCC=C)OCC=C)CCCCO)CCCCO)C(=O)OC(C)(C)C
InChI: InChI=1S/C49H63N5O12/c1-9-25-61-34-21-22-39-37(28-34)41-35(16-12-14-24-56)32(15-11-13-23-55)27-36-38(51-63-30-31-17-19-33(20-18-31)54(59)60)29-40(49(64-39,42(36)41)62-26-10-2)53-44(46(58)66-48(6,7)8)43(50-52-53)45(57)65-47(3,4)5/h9-10,17-22,27-28,32,35,40-42,55-56H,1-2,11-16,23-26,29-30H2,3-8H3/t32-,35+,40-,41+,42+,49+/m0/s1
SMILES: COCC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C14H15ClN2O4S2/c1-21-6-13(18)16-14-17(10-4-2-9(15)3-5-10)11-7-23(19,20)8-12(11)22-14/h2-5,11-12H,6-8H2,1H3/t11-,12-/m0/s1
SMILES: CCCC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CC=C(C=C2)I)COCC3=CC=CC=C3)O)OCC=C
InChI: InChI=1S/C26H31IO7/c1-3-8-22(28)34-25-24(31-15-4-2)23(29)21(17-30-16-18-9-6-5-7-10-18)33-26(25)32-20-13-11-19(27)12-14-20/h4-7,9-14,21,23-26,29H,2-3,8,15-17H2,1H3/t21-,23-,24+,25-,26-/m1/s1
SMILES: CCCN1C[C@@H](C[C@H]2[C@H]1CC3=C(NC4=CC=CC2=C34)COC)CSC
InChI: InChI=1S/C21H30N2OS/c1-4-8-23-11-14(13-25-3)9-16-15-6-5-7-18-21(15)17(10-20(16)23)19(22-18)12-24-2/h5-7,14,16,20,22H,4,8-13H2,1-3H3/t14-,16-,20-/m1/s1
SMILES: C1C=C[C@@H]2[C@@H]1/C(=N\NC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])/C2
InChI: InChI=1S/C14H11F3N4O4/c15-14(16,17)8-5-11(20(22)23)13(12(6-8)21(24)25)19-18-10-4-7-2-1-3-9(7)10/h1-2,5-7,9,19H,3-4H2/b18-10-/t7-,9+/m0/s1
SMILES: C1[C@H]([C@]2([C@@H]1C(=O)C(=O)O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C18H14O3/c19-16-15-11-14(12-7-3-1-4-8-12)18(15,21-17(16)20)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-,15-,18-/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=CC=C3C(=O)OC4=CC5=CC=CC=C5C=C4)C(=O)[O-]
InChI: InChI=1S/C24H19NO4/c26-23(27)22-19-9-3-7-17(19)18-8-4-10-20(21(18)25-22)24(28)29-16-12-11-14-5-1-2-6-15(14)13-16/h1-8,10-13,17,19,22,25H,9H2,(H,26,27)/p-1/t17-,19-,22+/m1/s1
SMILES: C1CCNC(=O)C=C[C@]23CCC(=O)C[C@H]2OC4=C3C=C(C=C4)C=CC(=O)NCCCNC1
InChI: InChI=1S/C25H31N3O4/c29-19-8-10-25-11-9-24(31)27-14-2-1-12-26-13-3-15-28-23(30)7-5-18-4-6-21(20(25)16-18)32-22(25)17-19/h4-7,9,11,16,22,26H,1-3,8,10,12-15,17H2,(H,27,31)(H,28,30)/t22-,25+/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H](N1C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)OS(=O)(=O)O)O)CO)O)O
InChI: InChI=1S/C11H23NO11S/c13-3-5-9(18)6(15)1-12(5)2-7(16)11(23-24(20,21)22)10(19)8(17)4-14/h5-11,13-19H,1-4H2,(H,20,21,22)/t5-,6-,7-,8+,9-,10+,11+/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C18H16ClN/c19-13-9-10-17-16(11-13)14-7-4-8-15(14)18(20-17)12-5-2-1-3-6-12/h1-7,9-11,14-15,18,20H,8H2/t14-,15+,18-/m0/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=C(C=C(C=C5)OCC6=CC=CC=C6)O)C(=O)C(=CC4=O)C
InChI: InChI=1S/C33H31NO6/c1-3-13-34-32(38)23-12-11-21-24(29(23)33(34)39)16-25-26(35)14-18(2)31(37)30(25)28(21)22-10-9-20(15-27(22)36)40-17-19-7-5-4-6-8-19/h4-11,14-15,23-24,28-29,36H,3,12-13,16-17H2,1-2H3/t23-,24+,28+,29-/m0/s1
SMILES: C[C@@H]1[C@H](OC(O1)(C)C)C[C@H](CC(=O)[C@@H]([C@H](C(C)(C)CS(=O)(=O)C2=CC=CC=C2)O[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)OC(=O)CBr
InChI: InChI=1S/C36H63BrO10SSi2/c1-26-30(46-36(7,8)45-26)22-27(44-31(39)23-37)21-29(38)32(43-25-42-19-20-49(9,10)11)33(47-50(12,13)34(2,3)4)35(5,6)24-48(40,41)28-17-15-14-16-18-28/h14-18,26-27,30,32-33H,19-25H2,1-13H3/t26-,27+,30-,32+,33-/m1/s1
SMILES: CC1(CC(=O)C[C@@H]([C@@H]1NC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C
InChI: InChI=1S/C21H22ClNO2/c1-21(2)13-17(24)12-18(14-8-10-16(22)11-9-14)19(21)23-20(25)15-6-4-3-5-7-15/h3-11,18-19H,12-13H2,1-2H3,(H,23,25)/t18-,19+/m1/s1
SMILES: C1CCN(CC1)CCCCNC(=O)C2=COC(=N2)[C@@H]3[C@H]4CC[C@@H]([C@@H]3CC5=CC=CC=C5CCC(=O)O)O4
InChI: InChI=1S/C29H39N3O5/c33-26(34)13-10-20-8-2-3-9-21(20)18-22-24-11-12-25(37-24)27(22)29-31-23(19-36-29)28(35)30-14-4-7-17-32-15-5-1-6-16-32/h2-3,8-9,19,22,24-25,27H,1,4-7,10-18H2,(H,30,35)(H,33,34)/t22-,24-,25+,27-/m0/s1
SMILES: CO[C@H]1[C@H]2[C@H](CO[C@H]2C3=CC4=C(C=C3)OCO4)[C@@H](O1)C5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C21H20O7/c1-22-21-18-13(19(28-21)11-2-4-14-16(6-11)26-9-24-14)8-23-20(18)12-3-5-15-17(7-12)27-10-25-15/h2-7,13,18-21H,8-10H2,1H3/t13-,18-,19-,20-,21+/m0/s1
SMILES: COC1=C(C=C(C=C1)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)F
InChI: InChI=1S/C19H20FNO5/c1-25-16-7-6-12(10-15(16)20)11-26-17(22)8-9-21-18(23)13-4-2-3-5-14(13)19(21)24/h2-3,6-7,10,13-14H,4-5,8-9,11H2,1H3/t13-,14-/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)[C@@H]2[C@H]3CCCC=C3[C@@H]4CCCC[C@@H]4O2
InChI: InChI=1S/C21H29NO/c1-22(2)16-13-11-15(12-14-16)21-19-9-4-3-7-17(19)18-8-5-6-10-20(18)23-21/h7,11-14,18-21H,3-6,8-10H2,1-2H3/t18-,19-,20-,21+/m0/s1
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H22N2O4/c1-12-7-8-16(25-2)15(11-12)20-17(22)9-10-21-18(23)13-5-3-4-6-14(13)19(21)24/h3-4,7-8,11,13-14H,5-6,9-10H2,1-2H3,(H,20,22)/t13-,14+
SMILES: CCOC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)N/N=C\3/C[C@@H]4[C@@H]3C=CC4
InChI: InChI=1S/C23H24N2O3/c1-2-27-19-10-12-20(13-11-19)28-15-16-6-8-17(9-7-16)23(26)25-24-22-14-18-4-3-5-21(18)22/h3,5-13,18,21H,2,4,14-15H2,1H3,(H,25,26)/b24-22-/t18-,21+/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)C4=CC=CC=C4CNC(=O)CCC(=O)O)CN5CCC[C@H]5CO
InChI: InChI=1S/C35H42N2O7/c1-23-31(20-37-18-4-6-29(37)22-39)43-35(44-34(23)26-10-8-24(21-38)9-11-26)27-14-12-25(13-15-27)30-7-3-2-5-28(30)19-36-32(40)16-17-33(41)42/h2-3,5,7-15,23,29,31,34-35,38-39H,4,6,16-22H2,1H3,(H,36,40)(H,41,42)/t23-,29+,31+,34+,35+/m1/s1
SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C
InChI: InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1
SMILES: C1=CC=C(C(=C1)CO)O[C@H]2[C@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11-,12+,13-/m1/s1
SMILES: C[C@H]1[C@H](C[C@@H](N([C@@H]1COCC2=CC=CC=C2)C(=O)N)C/C=C/C=C/COCC3=CC=C(C=C3)OC)OCC4=CC=CC=C4
InChI: InChI=1S/C36H44N2O5/c1-28-34(27-42-25-29-13-7-5-8-14-29)38(36(37)39)32(23-35(28)43-26-30-15-9-6-10-16-30)17-11-3-4-12-22-41-24-31-18-20-33(40-2)21-19-31/h3-16,18-21,28,32,34-35H,17,22-27H2,1-2H3,(H2,37,39)/b11-3+,12-4+/t28-,32+,34-,35+/m1/s1
SMILES: CC1=CC[C@@H]2[C@H](C1)C(=O)N(C2=O)C3=CC(=CC=C3)OC(=O)[C@H]4CC(=O)N(C4)C5=CC(=CC(=C5)C)C
InChI: InChI=1S/C28H28N2O5/c1-16-7-8-23-24(12-16)27(33)30(26(23)32)20-5-4-6-22(14-20)35-28(34)19-13-25(31)29(15-19)21-10-17(2)9-18(3)11-21/h4-7,9-11,14,19,23-24H,8,12-13,15H2,1-3H3/t19-,23+,24-/m0/s1
SMILES: C[C@H]([C]1[CH][CH][CH][C]1[Se][C@H]2CCCC[C@]2(C)OC)N(C)C
InChI: InChI=1S/C17H28NOSe/c1-13(18(3)4)14-9-8-10-15(14)20-16-11-6-7-12-17(16,2)19-5/h8-10,13,16H,6-7,11-12H2,1-5H3/t13-,16+,17+/m1/s1
SMILES: CCCC1O[C@@H]2C[C@H]3[C@@H]4C[C@@H](C5=CC(=O)C=C[C@@]5([C@]4([C@H](C[C@@]3([C@@]2(O1)C(=O)COC(=O)C)C)O)F)C)F
InChI: InChI=1S/C27H34F2O7/c1-5-6-23-35-22-11-16-17-10-19(28)18-9-15(31)7-8-24(18,3)26(17,29)20(32)12-25(16,4)27(22,36-23)21(33)13-34-14(2)30/h7-9,16-17,19-20,22-23,32H,5-6,10-13H2,1-4H3/t16-,17-,19-,20-,22+,23?,24-,25-,26-,27+/m0/s1
SMILES: C1[C@H]([C@@H](C2=CC=CC=C21)NC(=O)CN(CCO)CC3=CC=CC=C3)NC(=O)C4=CC5=C(N4)SC(=C5)Cl
InChI: InChI=1S/C27H27ClN4O3S/c28-23-14-19-13-22(30-27(19)36-23)26(35)29-21-12-18-8-4-5-9-20(18)25(21)31-24(34)16-32(10-11-33)15-17-6-2-1-3-7-17/h1-9,13-14,21,25,30,33H,10-12,15-16H2,(H,29,35)(H,31,34)/t21-,25-/m1/s1
SMILES: C[C@]12C[C@@H]3[C@@]4(O3)[C@H]([C@@H]1CC[C@@H]2OC(=O)C5=CC=CC=C5)CC=C([C@]4(C)[C@@H]6CO6)CC(=O)OC
InChI: InChI=1S/C27H32O6/c1-25-14-21-27(33-21)19(10-9-17(13-23(28)30-3)26(27,2)22-15-31-22)18(25)11-12-20(25)32-24(29)16-7-5-4-6-8-16/h4-9,18-22H,10-15H2,1-3H3/t18-,19-,20-,21+,22-,25-,26+,27-/m0/s1
SMILES: CCC1([C@@H](OC(O1)(C)C)CCO[C@H](C)[C@H]2CC[C@@H]3[C@@]2(CCCC3=O)C)CC
InChI: InChI=1S/C23H40O4/c1-7-23(8-2)20(26-21(4,5)27-23)13-15-25-16(3)17-11-12-18-19(24)10-9-14-22(17,18)6/h16-18,20H,7-15H2,1-6H3/t16-,17-,18+,20+,22-/m1/s1
SMILES: COC1=CC=C(C=C1)CCNC(=O)[C@@H]2CCC[C@H]2C(=O)NCC3=CC=C(S3)C4=CC=CS4
InChI: InChI=1S/C25H28N2O3S2/c1-30-18-9-7-17(8-10-18)13-14-26-24(28)20-4-2-5-21(20)25(29)27-16-19-11-12-23(32-19)22-6-3-15-31-22/h3,6-12,15,20-21H,2,4-5,13-14,16H2,1H3,(H,26,28)(H,27,29)/t20-,21-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C\C4=CC5=CC=CC=C5N=C4)C)C)NC(=O)O2)C
InChI: InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14-/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](CC4=C(C5=C(C=C24)OCO5)O)COC3=O
InChI: InChI=1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17-,18+/m1/s1
SMILES: COC1=C(C(=CC(=C1)C=O)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3=CC4=C(C=C3)OCO4)C(=O)C5CCCO5)C(=O)NCCO
InChI: InChI=1S/C30H33IN2O10/c1-39-26-11-18(15-35)9-20(31)28(26)43-25-13-19(29(37)32-6-7-34)12-21(27(25)36)33(30(38)23-3-2-8-40-23)14-17-4-5-22-24(10-17)42-16-41-22/h4-5,9-11,13,15,21,23,25,27,34,36H,2-3,6-8,12,14,16H2,1H3,(H,32,37)/t21-,23?,25+,27+/m1/s1
SMILES: CC[C@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=CC=C3F)C(=O)N(C2=O)C)C(=O)OCC
InChI: InChI=1S/C18H21FN2O4/c1-4-18(17(24)25-5-2)13-12(15(22)21(3)16(13)23)14(20-18)10-8-6-7-9-11(10)19/h6-9,12-14,20H,4-5H2,1-3H3/t12-,13+,14-,18-/m0/s1
SMILES: CC[C@@H]1[C@@](C2[C@H]([C@H]([C@@H](C[C@@]([C@@H](C([C@@H]([C@H](C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)N[C@H](O2)COCCOC)C)(C)O
InChI: InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23?,24+,25?,26-,27?,28?,29-,30-,31?,32+,33?,34+,35?,36-,37?,39?,40-,41?,42-/m1/s1
SMILES: CC[C@@H]1C[C@H]2C[C@@](CC[C@H]2NS1(=O)=O)(C3=C(C=CC(=C3)F)F)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F
InChI: InChI=1S/C23H24F5NO4S2/c1-2-17-11-14-13-22(10-9-21(14)29-35(17,32)33,19-12-16(24)5-8-20(19)25)34(30,31)18-6-3-15(4-7-18)23(26,27)28/h3-8,12,14,17,21,29H,2,9-11,13H2,1H3/t14-,17+,21+,22-/m0/s1
SMILES: CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)N
InChI: InChI=1S/C11H17N5O9P2S/c1-28-11-14-9(12)8-10(15-11)16(4-13-8)7-2-5(25-27(20,21)22)6(24-7)3-23-26(17,18)19/h4-7H,2-3H2,1H3,(H2,12,14,15)(H2,17,18,19)(H2,20,21,22)/t5-,6+,7+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H]([C@@]1(C)CS(=O)(=O)C2=CC=CC=C2)[C@@H]3COC(O3)(C)C)COCOC
InChI: InChI=1S/C23H36O6S/c1-17-11-12-18(13-27-16-26-5)21(20-14-28-22(2,3)29-20)23(17,4)15-30(24,25)19-9-7-6-8-10-19/h6-10,17-18,20-21H,11-16H2,1-5H3/t17-,18+,20+,21-,23+/m1/s1
SMILES: C[N+]1=CC=CC(=C1)/C=C/C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC=N4)SC2)C(=O)O
InChI: InChI=1S/C21H19N5O5S2/c1-25-7-3-4-12(8-25)5-6-13-9-33-20-16(19(28)26(20)17(13)21(29)30)23-18(27)15(24-31-2)14-10-32-11-22-14/h3-8,10-11,16,20H,9H2,1-2H3,(H-,23,27,29,30)/p+1/b6-5+,24-15-/t16-,20-/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)CCN([C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO)C(=O)C5=CC6=CC=CC=C6OC5=O
InChI: InChI=1S/C35H34N2O9/c1-43-22-11-12-27(44-2)21(17-22)13-15-37(34(41)25-18-20-7-3-5-9-28(20)46-35(25)42)26-19-24(33(40)36-14-16-38)30-23-8-4-6-10-29(23)45-32(30)31(26)39/h3-12,17-19,26,30-32,38-39H,13-16H2,1-2H3,(H,36,40)/t26-,30+,31+,32+/m1/s1
SMILES: C[C@@H](C(=O)N[C@H]1[C@H]([C@@H](O[C@@H]1C(=O)O)N2C=NC3=C(N=CN=C32)N)O)N
InChI: InChI=1S/C13H17N7O5/c1-4(14)11(22)19-5-7(21)12(25-8(5)13(23)24)20-3-18-6-9(15)16-2-17-10(6)20/h2-5,7-8,12,21H,14H2,1H3,(H,19,22)(H,23,24)(H2,15,16,17)/t4-,5-,7+,8-,12+/m0/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=C(C=C3)C=CC4CCC5C(C4)O5)C(=O)N6CCC[C@@H]6C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C47H68N2O10/c1-6-8-10-24-47(25-11-9-7-2)57-40-29-34(44(53)49-26-12-13-36(49)43(52)48-35(30-50)21-23-41(51)58-46(3,4)5)28-39(42(40)59-47)56-45(54)33-19-16-31(17-20-33)14-15-32-18-22-37-38(27-32)55-37/h14-17,19-20,29,32,35-40,42,50H,6-13,18,21-28,30H2,1-5H3,(H,48,52)/t32?,35-,36+,37?,38?,39+,40+,42-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)NCCC2C[C@@H]3[C@H](C2)C3(Br)Br)C(C)C
InChI: InChI=1S/C19H31Br2NO2/c1-11(2)14-5-4-12(3)8-17(14)24-18(23)22-7-6-13-9-15-16(10-13)19(15,20)21/h11-17H,4-10H2,1-3H3,(H,22,23)/t12-,13?,14+,15-,16+,17-/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=C(C=C6)OC)O)Cl)C7=C(C(=C(C(=C7F)F)F)F)F)Cl)(O)O
InChI: InChI=1S/C33H22BCl2F5N2O8/c1-51-14-5-6-16(19(44)10-14)21-15-7-8-17-20(29(46)42(28(17)45)13-4-2-3-12(9-13)34(49)50)18(15)11-32(35)30(47)43(31(48)33(21,32)36)27-25(40)23(38)22(37)24(39)26(27)41/h2-7,9-10,17-18,20-21,44,49-50H,8,11H2,1H3/t17-,18+,20-,21+,32+,33-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC(=C(C=C3)F)F
InChI: InChI=1S/C18H18F2N2O5/c19-13-6-5-10(7-14(13)20)21-15(23)9-27-16(24)8-22-17(25)11-3-1-2-4-12(11)18(22)26/h5-7,11-12H,1-4,8-9H2,(H,21,23)/t11-,12+
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(=O)NC8=CC=CC=C8)O)C(=C5)C(=O)C9=CC=C(C=C9)C1=CC=CC=C1)O)C
InChI: InChI=1S/C52H62N2O4/c1-47(2)38-20-19-37(41(47)29-38)32-54(46(57)53-39-13-9-6-10-14-39)33-51(58)26-23-44-49(51,4)25-22-43-48(3)24-21-40(55)30-50(48)27-28-52(43,44)42(31-50)45(56)36-17-15-35(16-18-36)34-11-7-5-8-12-34/h5-18,27-28,31,37-38,40-41,43-44,55,58H,19-26,29-30,32-33H2,1-4H3,(H,53,57)/t37-,38-,40?,41-,43+,44+,48+,49-,50-,51+,52+/m0/s1
SMILES: C[C@]1(COC(O1)(C)C)[C@@H]([C@@]23C(=O)N[C@@]([C@@H](CCO2)OC(=O)C4=CC=CC(=C4)C=O)(C(=O)N3)O)O
InChI: InChI=1S/C22H26N2O10/c1-19(2)32-11-20(3,34-19)16(27)22-18(29)23-21(30,17(28)24-22)14(7-8-31-22)33-15(26)13-6-4-5-12(9-13)10-25/h4-6,9-10,14,16,27,30H,7-8,11H2,1-3H3,(H,23,29)(H,24,28)/t14-,16+,20+,21-,22+/m1/s1
SMILES: C[C@]1([C@@H](C[C@H]2C(=C(C2(C)C)C3=CC=CC=C3NC(=O)OC(C)(C)C)[C@@H]1N(C=O)OC)Cl)C=C
InChI: InChI=1S/C26H35ClN2O4/c1-9-26(7)19(27)14-17-20(22(26)29(15-30)32-8)21(25(17,5)6)16-12-10-11-13-18(16)28-23(31)33-24(2,3)4/h9-13,15,17,19,22H,1,14H2,2-8H3,(H,28,31)/t17-,19+,22-,26+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCN(CC4=CC=CC=C4)C(=O)CC5C=CC(=O)NC5=O
InChI: InChI=1S/C25H25N3O5/c29-19-9-8-18(23(31)26-19)13-20(30)27(14-15-4-2-1-3-5-15)10-11-28-24(32)21-16-6-7-17(12-16)22(21)25(28)33/h1-9,16-18,21-22H,10-14H2,(H,26,29,31)/t16-,17+,18?,21+,22-
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@](C2(C#N)C#N)(C#N)C(=N)C(C#N)C#N)OC
InChI: InChI=1S/C18H12N6O2/c1-25-13-4-3-11(5-14(13)26-2)15-17(8-21,9-22)18(15,10-23)16(24)12(6-19)7-20/h3-5,12,15,24H,1-2H3/t15-,18+/m0/s1
SMILES: CC1=C([C@@H]([C@H]2[C@@H](C1)C(=O)N(C2=O)CC3=CC=CC=C3)CO)[C@@H](C4=CC=CC=C4)O
InChI: InChI=1S/C24H25NO4/c1-15-12-18-21(19(14-26)20(15)22(27)17-10-6-3-7-11-17)24(29)25(23(18)28)13-16-8-4-2-5-9-16/h2-11,18-19,21-22,26-27H,12-14H2,1H3/t18-,19+,21-,22-/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)C4=CC=CC(=C4)CNC(=O)CCC(=O)O)CN(C)[C@H](C)[C@H](C5=CC=CC=C5)O
InChI: InChI=1S/C40H46N2O7/c1-26-35(24-42(3)27(2)38(47)31-9-5-4-6-10-31)48-40(49-39(26)32-14-12-28(25-43)13-15-32)33-18-16-30(17-19-33)34-11-7-8-29(22-34)23-41-36(44)20-21-37(45)46/h4-19,22,26-27,35,38-40,43,47H,20-21,23-25H2,1-3H3,(H,41,44)(H,45,46)/t26-,27+,35+,38+,39+,40+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](NN2C(=NN=C2S1)C)C3=CC=C(C=C3)O
InChI: InChI=1S/C14H16N4O3S/c1-3-21-13(20)12-11(9-4-6-10(19)7-5-9)17-18-8(2)15-16-14(18)22-12/h4-7,11-12,17,19H,3H2,1-2H3/t11-,12-/m0/s1
SMILES: C[C@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@]4(C#CC5=CC=CC=C5)O)C
InChI: InChI=1S/C27H36O/c1-25-16-7-6-10-21(25)11-12-22-23(25)14-17-26(2)24(22)15-19-27(26,28)18-13-20-8-4-3-5-9-20/h3-5,8-9,21-24,28H,6-7,10-12,14-17,19H2,1-2H3/t21-,22-,23+,24-,25+,26-,27-/m1/s1
SMILES: CNC1=C2C(=NC(=N1)Cl)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI: InChI=1S/C11H14ClN5O3/c1-13-9-8-10(16-11(12)15-9)17(4-14-8)7-2-5(19)6(3-18)20-7/h4-7,18-19H,2-3H2,1H3,(H,13,15,16)/t5-,6+,7+/m0/s1
SMILES: C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)C6=CC(=C(C=C6)O)OC)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C
InChI: InChI=1S/C35H36O9/c1-19(2)33-16-21(4)34-25(30(33)42-35(43-33,44-34)24-9-7-6-8-10-24)14-22(17-32(39)28(34)13-20(3)29(32)37)18-41-31(38)23-11-12-26(36)27(15-23)40-5/h6-15,21,25,28,30,36,39H,1,16-18H2,2-5H3/t21-,25+,28-,30-,32-,33-,34-,35?/m1/s1
SMILES: C[C@]12[C@@H](CCC1=O)[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C[C@H]2OC(=O)CBr
InChI: InChI=1S/C20H25BrO4/c1-20-16(6-7-17(20)23)14-4-2-11-8-12(22)3-5-13(11)15(14)9-18(20)25-19(24)10-21/h8,13-16,18H,2-7,9-10H2,1H3/t13-,14+,15+,16-,18+,20-/m0/s1
SMILES: C[C@]12CC[C@H](C1)C([C@H]2NS(=O)(=O)C3=CC=C(C=C3)F)(C)C
InChI: InChI=1S/C16H22FNO2S/c1-15(2)11-8-9-16(3,10-11)14(15)18-21(19,20)13-6-4-12(17)5-7-13/h4-7,11,14,18H,8-10H2,1-3H3/t11-,14-,16+/m1/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@@H]([C@@H]2C(=O)NCCC3=CC=C(C=C3)Cl)C(=O)[O-]
InChI: InChI=1S/C17H18ClNO3/c18-13-5-1-10(2-6-13)7-8-19-16(20)14-11-3-4-12(9-11)15(14)17(21)22/h1-6,11-12,14-15H,7-9H2,(H,19,20)(H,21,22)/p-1/t11-,12+,14-,15+/m1/s1
SMILES: COC1=CC=CC(=C1)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C5=C(N2)C=CC(=C5)C(=O)[O-]
InChI: InChI=1S/C22H23NO3/c1-26-16-4-2-3-14(10-16)21-20-13-6-5-12(9-13)19(20)17-11-15(22(24)25)7-8-18(17)23-21/h2-4,7-8,10-13,19-21,23H,5-6,9H2,1H3,(H,24,25)/p-1/t12-,13+,19+,20-,21+/m0/s1
SMILES: CCCC[C@]1(C[C@@H](N[C@@H]([C@@H]1C)C2=CC=CC=C2)C3=CC=CC=C3)O
InChI: InChI=1S/C22H29NO/c1-3-4-15-22(24)16-20(18-11-7-5-8-12-18)23-21(17(22)2)19-13-9-6-10-14-19/h5-14,17,20-21,23-24H,3-4,15-16H2,1-2H3/t17-,20+,21-,22+/m0/s1
SMILES: C1[C@@H]2[C@@H]([C@H]([C@H]1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C(=CC=C4)[N+](=O)[O-])N[C@H]2C(=O)[O-]
InChI: InChI=1S/C19H16ClN3O6S/c20-16-14(30-13-7-2-1-5-11(13)22(26)27)8-10-15(16)9-4-3-6-12(23(28)29)17(9)21-18(10)19(24)25/h1-7,10,14-16,18,21H,8H2,(H,24,25)/p-1/t10-,14+,15+,16+,18-/m1/s1
SMILES: CCC(C)[C@@]12[C@@H](CC(=C1OC(C)C)C3=CC=CC=C3)CC2=O
InChI: InChI=1S/C20H26O2/c1-5-14(4)20-16(12-18(20)21)11-17(19(20)22-13(2)3)15-9-7-6-8-10-15/h6-10,13-14,16H,5,11-12H2,1-4H3/t14?,16-,20-/m0/s1
SMILES: CCOC(=O)/C=C(\CCCOCC1=CC=C(C=C1)OC)/C(=C/[C@H]2[C@@H]([C@H]3[C@@H](CC(=C[C@H]3O2)C)C(=C)C)C)/CCO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C39H60O6Si/c1-12-43-37(40)25-31(14-13-20-42-26-30-15-17-33(41-9)18-16-30)32(19-21-44-46(10,11)39(6,7)8)24-35-29(5)38-34(27(2)3)22-28(4)23-36(38)45-35/h15-18,23-25,29,34-36,38H,2,12-14,19-22,26H2,1,3-11H3/b31-25+,32-24+/t29-,34-,35-,36+,38-/m0/s1
SMILES: C1[C@@H](OC2=C(C1=O)C(=CC(=C2)O)O[C@@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)C4=CC=C(C=C4)O
InChI: InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-6,13,16,18-24,26-28H,7-8H2/t13-,16+,18+,19+,20+,21+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@@H]3CCCO[C@H]3C[C@@H]4[C@H](O4)CO
InChI: InChI=1S/C25H34O4Si/c1-25(2,3)30(19-11-6-4-7-12-19,20-13-8-5-9-14-20)29-21-15-10-16-27-22(21)17-23-24(18-26)28-23/h4-9,11-14,21-24,26H,10,15-18H2,1-3H3/t21-,22+,23-,24-/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)CCCCCNC(=O)C)CN(C)[C@H](C)C4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C40H49N3O5/c1-27-37(25-43(4)28(2)34-18-17-31-10-7-8-11-35(31)24-34)47-40(48-39(27)32-15-13-30(26-44)14-16-32)33-19-21-36(22-20-33)42-38(46)12-6-5-9-23-41-29(3)45/h7-8,10-11,13-22,24,27-28,37,39-40,44H,5-6,9,12,23,25-26H2,1-4H3,(H,41,45)(H,42,46)/t27-,28+,37+,39+,40+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)[C@@H](C)OC(=O)COC2=CC=CC=C2C
InChI: InChI=1S/C20H29NO4/c1-13-9-7-10-17(15(13)3)21-20(23)16(4)25-19(22)12-24-18-11-6-5-8-14(18)2/h5-6,8,11,13,15-17H,7,9-10,12H2,1-4H3,(H,21,23)/t13-,15-,16+,17-/m0/s1
SMILES: C1CCCN(CC1)CN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4
InChI: InChI=1S/C16H22N2O2/c19-15-13-11-5-6-12(9-11)14(13)16(20)18(15)10-17-7-3-1-2-4-8-17/h5-6,11-14H,1-4,7-10H2/t11-,12+,13-,14-/m0/s1
SMILES: C[C@@H]1[C@H](OC2(O1)CCCCC2)[C@@H]([C@H](/C=C/C(=O)CC3=C(C(=CC(=C3)OCC=C)O)C(=O)OC)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C33H50O9Si/c1-10-18-39-25-20-23(28(26(35)21-25)31(36)38-7)19-24(34)14-15-27(37-6)30(42-43(8,9)32(3,4)5)29-22(2)40-33(41-29)16-12-11-13-17-33/h10,14-15,20-22,27,29-30,35H,1,11-13,16-19H2,2-9H3/b15-14+/t22-,27+,29+,30-/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC2=CC3=C(C=C2)C4=C(C=C(C=C4)O)S[C@H]3[C@H](C5=CC=C(C=C5)OCCN6CCCC6)O)C(=O)OC)OC(=O)C
InChI: InChI=1S/C39H43NO13S/c1-21(41)49-33-34(50-22(2)42)36(51-23(3)43)39(53-35(33)38(46)47-4)52-27-12-14-28-29-13-9-25(44)19-31(29)54-37(30(28)20-27)32(45)24-7-10-26(11-8-24)48-18-17-40-15-5-6-16-40/h7-14,19-20,32-37,39,44-45H,5-6,15-18H2,1-4H3/t32-,33-,34-,35-,36+,37+,39+/m0/s1
SMILES: COC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)N(N=N3)CC4=CC=CC=C4)Cl
InChI: InChI=1S/C18H15ClN4O3/c1-26-14-8-7-12(9-13(14)19)23-17(24)15-16(18(23)25)22(21-20-15)10-11-5-3-2-4-6-11/h2-9,15-16H,10H2,1H3/t15-,16+/m0/s1