EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]([C@@H]1[C@H]2[C@H]3CCCC(C3=C(N2C1=O)C(=O)[O-])N4C5=CC=CC6=C(C=CC(=C65)S4(=O)=O)CC[N+]78CC[N+](CC7)(CC8)CC(=O)N)O.[Cl-]
InChI: InChI=1S/C33H39N5O7S.ClH/c1-19(39)27-30-22-5-3-7-24(29(22)31(33(42)43)35(30)32(27)41)36-23-6-2-4-21-20(8-9-25(28(21)23)46(36,44)45)10-11-37-12-15-38(16-13-37,17-14-37)18-26(34)40;/h2,4,6,8-9,19,22,24,27,30,39H,3,5,7,10-18H2,1H3,(H-2,34,40,42,43);1H/t19-,22+,24?,27-,30-,37?,38?;/m1./s1
SMILES: CC(=O)OC1C[C@@H]2C[C@]3([C@@H]1C45CCCC([C@H]4[C@@H]([C@@]3(OC5)O)O)(C)C)[C@@H](C2=C)O
InChI: InChI=1S/C22H32O6/c1-11-13-8-14(28-12(2)23)15-20-7-5-6-19(3,4)16(20)18(25)22(26,27-10-20)21(15,9-13)17(11)24/h13-18,24-26H,1,5-10H2,2-4H3/t13-,14?,15+,16-,17-,18+,20?,21+,22+/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)COP(=O)([O-])[O-])O)C)O)F)C
InChI: InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/p-2/t12-,15-,16-,17-,19+,20+,21+,22+/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OCC2=CC=CC=C2)OCC=C
InChI: InChI=1S/C18H26O6/c1-3-10-22-17-16(23-12-13-8-6-5-7-9-13)15(20)14(11-19)24-18(17)21-4-2/h3,5-9,14-20H,1,4,10-12H2,2H3/t14-,15-,16+,17-,18+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C([C@H](O1)O)(F)F)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C17H36F2O4Si2/c1-15(2,3)24(7,8)21-11-12-13(17(18,19)14(20)22-12)23-25(9,10)16(4,5)6/h12-14,20H,11H2,1-10H3/t12-,13-,14+/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CN3CCCCC3)O)OC)C
InChI: InChI=1S/C15H27NO5/c1-15(2)20-13-12(18-3)11(19-14(13)21-15)10(17)9-16-7-5-4-6-8-16/h10-14,17H,4-9H2,1-3H3/t10-,11-,12+,13-,14-/m1/s1
SMILES: CN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=C(C=C5)SC)OCC=C)CCCCO)CCCCO)C(=O)C6=CC7=C(C=C6)OCO7
InChI: InChI=1S/C44H52N2O9S/c1-5-22-53-44-40(46(2)43(49)29-12-18-38-39(24-29)52-27-51-38)26-36(45-50-3)34-23-28(10-6-8-20-47)33(11-7-9-21-48)41(42(34)44)35-25-31(15-19-37(35)55-44)54-30-13-16-32(56-4)17-14-30/h5,12-19,23-25,28,33,40-42,47-48H,1,6-11,20-22,26-27H2,2-4H3/t28-,33+,40-,41+,42+,44+/m0/s1
SMILES: C/C(=C/C[C@@]1(CC[C@H]([C@H]1/C=C/C=C/C(=O)OC)OCC2=CC=C(C=C2)OC)C)/CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C31H48O5Si/c1-24(22-36-37(8,9)30(2,3)4)18-20-31(5)21-19-28(27(31)12-10-11-13-29(32)34-7)35-23-25-14-16-26(33-6)17-15-25/h10-18,27-28H,19-23H2,1-9H3/b12-10+,13-11+,24-18-/t27-,28-,31-/m1/s1
SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)CCN2CCC[C@@H]3[C@@H]2CCCCC3
InChI: InChI=1S/C20H29ClN2O/c1-15-7-5-10-17(21)20(15)22-19(24)12-14-23-13-6-9-16-8-3-2-4-11-18(16)23/h5,7,10,16,18H,2-4,6,8-9,11-14H2,1H3,(H,22,24)/t16-,18+/m1/s1
SMILES: CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CC(=O)CCCCC(=O)O)O)O
InChI: InChI=1S/C21H30O6/c1-3-4-7-14(2)18(23)11-10-16-17(20(25)13-19(16)24)12-15(22)8-5-6-9-21(26)27/h10-11,14,16-19,23-24H,5-9,12-13H2,1-2H3,(H,26,27)/b11-10+/t14?,16-,17-,18-,19-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]([C@H]2[C@]1(C3=C([C@@H](C2)OC(=O)C)C(=O)[C@@](CC3)(C)C=C)C)(C)C(=O)OC
InChI: InChI=1S/C25H34O7/c1-8-23(4)11-9-16-20(21(23)28)17(31-14(2)26)13-18-24(5,22(29)30-7)12-10-19(25(16,18)6)32-15(3)27/h8,17-19H,1,9-13H2,2-7H3/t17-,18+,19+,23+,24-,25-/m1/s1
SMILES: COC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H](C1C#C[C@H](CCC2CCCCC2)O)O)O
InChI: InChI=1S/C24H38O5/c1-29-24(28)12-8-3-2-7-11-20-21(23(27)17-22(20)26)16-15-19(25)14-13-18-9-5-4-6-10-18/h2,7,18-23,25-27H,3-6,8-14,17H2,1H3/b7-2-/t19-,20+,21?,22-,23+/m0/s1
SMILES: COC1=CC=C(C=C1)COCCC[C@H]2[C@H](COC(O2)C3=CC=CC=C3)OC(=O)C(C4=CC=CC=C4)(C(F)(F)F)OC
InChI: InChI=1S/C31H33F3O7/c1-36-25-17-15-22(16-18-25)20-38-19-9-14-26-27(21-39-28(40-26)23-10-5-3-6-11-23)41-29(35)30(37-2,31(32,33)34)24-12-7-4-8-13-24/h3-8,10-13,15-18,26-28H,9,14,19-21H2,1-2H3/t26-,27-,28?,30?/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)N(CC3=CC=CO3)[C@@H]4CCS(=O)(=O)C4
InChI: InChI=1S/C20H26N2O6S/c23-18(7-9-21-19(24)16-5-1-2-6-17(16)20(21)25)22(12-15-4-3-10-28-15)14-8-11-29(26,27)13-14/h3-4,10,14,16-17H,1-2,5-9,11-13H2/t14-,16+,17+/m1/s1
SMILES: C[C@@]12CCC3[C@@](C1CC[C@@]4(C2=CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)C)(C([C@H]([C@@H](C3(C)C)O)O)O)C
InChI: InChI=1S/C30H48O5/c1-25(2)14-15-30(24(34)35)13-10-18-27(5)11-8-17-26(3,4)22(32)21(31)23(33)29(17,7)19(27)9-12-28(18,6)20(30)16-25/h10,17,19-23,31-33H,8-9,11-16H2,1-7H3,(H,34,35)/t17?,19?,20?,21-,22-,23?,27-,28+,29-,30+/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@@H]3C4=C(O2)C=CC5=C4C(=CN5)CCNC3=O)O
InChI: InChI=1S/C20H18N2O4/c1-25-15-8-10(2-4-13(15)23)19-18-17-14(26-19)5-3-12-16(17)11(9-22-12)6-7-21-20(18)24/h2-5,8-9,18-19,22-23H,6-7H2,1H3,(H,21,24)/t18-,19+/m0/s1
SMILES: CC(C)C[C@H]1[C@H]2[C@H](C(=O)N(C2=O)C(C)C)[C@@]3(N1)C4=CC=CC=C4N(C3=O)C
InChI: InChI=1S/C21H27N3O3/c1-11(2)10-14-16-17(19(26)24(12(3)4)18(16)25)21(22-14)13-8-6-7-9-15(13)23(5)20(21)27/h6-9,11-12,14,16-17,22H,10H2,1-5H3/t14-,16-,17+,21-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](NC(=O)N[C@@]1(C(F)(F)F)O)C2=CC(=CC=C2)F
InChI: InChI=1S/C14H14F4N2O4/c1-2-24-11(21)9-10(7-4-3-5-8(15)6-7)19-12(22)20-13(9,23)14(16,17)18/h3-6,9-10,23H,2H2,1H3,(H2,19,20,22)/t9-,10+,13+/m0/s1
SMILES: CO[C@H]1[C@@H](C[C@@H]2C[NH+]3CCC4=C([C@H]3C[C@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
InChI: InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/p+1/t18-,22-,24-,27-,28+,31+/m1/s1
SMILES: CC(=O)[C@@H]1[C@H](NC(=O)N[C@@]1(C(F)(F)F)O)C2=CC(=C(C=C2)OCC3=CC=CC=C3Cl)OC
InChI: InChI=1S/C21H20ClF3N2O5/c1-11(28)17-18(26-19(29)27-20(17,30)21(23,24)25)12-7-8-15(16(9-12)31-2)32-10-13-5-3-4-6-14(13)22/h3-9,17-18,30H,10H2,1-2H3,(H2,26,27,29)/t17-,18-,20-/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C32H25Br2NO7/c1-41-25-11-15(12-26(42-2)30(25)38)3-8-19-18-9-10-20-28(21(18)13-22-27(19)24(36)14-23(34)29(22)37)32(40)35(31(20)39)17-6-4-16(33)5-7-17/h3-9,11-12,14,19-21,28,38H,10,13H2,1-2H3/t19-,20-,21+,28-/m0/s1
SMILES: C1[C@@H]2[C@H]3[C@@H]([C@H]3C(=O)N2[C@H](O1)C4=CC=CC=C4)CC#N
InChI: InChI=1S/C15H14N2O2/c16-7-6-10-12-11-8-19-15(9-4-2-1-3-5-9)17(11)14(18)13(10)12/h1-5,10-13,15H,6,8H2/t10-,11+,12+,13+,15+/m0/s1
SMILES: C1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])N[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O
InChI: InChI=1S/C18H20N2O7S/c21-9-14-15(22)16(23)17(24)18(27-14)19-10-6-11(20(25)26)8-13(7-10)28-12-4-2-1-3-5-12/h1-8,14-19,21-24H,9H2/t14-,15+,16+,17-,18+/m0/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5CC=C([C@@H]([C@@]5(C4=O)C)C6=C(C(=CC=C6)OC)O)C=C)C
InChI: InChI=1S/C31H28ClN3O4S/c1-6-17-10-12-21-29(37)35(30(38)31(21,3)26(17)19-8-7-9-23(39-5)27(19)36)25-15-22(33-34(25)4)28-16(2)20-14-18(32)11-13-24(20)40-28/h6-11,13-15,21,26,36H,1,12H2,2-5H3/t21-,26+,31+/m0/s1
SMILES: C[C@]1(CCC[C@H]2[C@H]1CC3=C(C2)C=CC(=C3)OC)C(=O)OC
InChI: InChI=1S/C18H24O3/c1-18(17(19)21-3)8-4-5-13-9-12-6-7-15(20-2)10-14(12)11-16(13)18/h6-7,10,13,16H,4-5,8-9,11H2,1-3H3/t13-,16-,18-/m1/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CNC(=O)C)O)O)O
InChI: InChI=1S/C16H31NO6/c1-3-4-5-6-7-8-9-22-16-15(21)14(20)13(19)12(23-16)10-17-11(2)18/h12-16,19-21H,3-10H2,1-2H3,(H,17,18)/t12-,13+,14+,15-,16-/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)CO)OCC3=CC=CC=C3)N
InChI: InChI=1S/C20H25NO5/c21-17-19(24-12-14-7-3-1-4-8-14)18(23)16(11-22)26-20(17)25-13-15-9-5-2-6-10-15/h1-10,16-20,22-23H,11-13,21H2/t16-,17-,18-,19-,20+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@H](C1)[C]2[CH][CH][CH][C]2[Si](C)(C)[C]3[C]([C]([C]([C]3C)C)C)C)C(C)C
InChI: InChI=1S/C26H40Si/c1-16(2)22-14-13-17(3)15-24(22)23-11-10-12-25(23)27(8,9)26-20(6)18(4)19(5)21(26)7/h10-12,16-17,22,24H,13-15H2,1-9H3/t17-,22+,24+/m1/s1
SMILES: CN(C1CCCCC1)C(=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/C28H34N2O6/c1-29(20-6-4-3-5-7-20)25(31)16-30-15-22(19-10-13-23-24(14-19)36-17-35-23)26(28(32)33)27(30)18-8-11-21(34-2)12-9-18/h8-14,20,22,26-27H,3-7,15-17H2,1-2H3,(H,32,33)/t22-,26-,27+/m0/s1
SMILES: CCC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C14H15ClN2O3S2/c1-2-13(18)16-14-17(10-5-3-9(15)4-6-10)11-7-22(19,20)8-12(11)21-14/h3-6,11-12H,2,7-8H2,1H3/t11-,12-/m0/s1
SMILES: C1=CC=C(C=C1)COCC2=C[C@@H]([C@@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)O)N
InChI: InChI=1S/C28H31NO4/c29-25-16-24(20-31-17-21-10-4-1-5-11-21)27(32-18-22-12-6-2-7-13-22)28(26(25)30)33-19-23-14-8-3-9-15-23/h1-16,25-28,30H,17-20,29H2/t25-,26-,27+,28+/m0/s1
SMILES: B1(N([C@@H]([C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C)Br
InChI: InChI=1S/C28H26BBrN2O4S2/c1-21-13-17-25(18-14-21)37(33,34)31-27(23-9-5-3-6-10-23)28(24-11-7-4-8-12-24)32(29(31)30)38(35,36)26-19-15-22(2)16-20-26/h3-20,27-28H,1-2H3/t27-,28-/m1/s1
SMILES: CC(=O)NCCNC(=O)C[C@@H]1C2=C(C[C@H]3[C@]1(CC[C@H]([C@@]3(C)CO)O)C)SC(=N2)NC(=O)C4=C(C=CC=C4F)F
InChI: InChI=1S/C27H34F2N4O5S/c1-14(35)30-9-10-31-21(37)11-15-23-18(12-19-26(15,2)8-7-20(36)27(19,3)13-34)39-25(32-23)33-24(38)22-16(28)5-4-6-17(22)29/h4-6,15,19-20,34,36H,7-13H2,1-3H3,(H,30,35)(H,31,37)(H,32,33,38)/t15-,19+,20-,26+,27+/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)CS(=O)(=O)C2=CC=C(C=C2)SCC(=O)O)C(=O)NCC#N
InChI: InChI=1S/C18H22N2O5S2/c19-9-10-20-18(23)16-4-2-1-3-13(16)12-27(24,25)15-7-5-14(6-8-15)26-11-17(21)22/h5-8,13,16H,1-4,10-12H2,(H,20,23)(H,21,22)/t13-,16+/m0/s1
SMILES: CC1=C([C@@H]([C@H]2[C@@H](C1)OC(=O)C2=C)OC(=O)C)[C@@H](C)CCCOC(=O)C
InChI: InChI=1S/C19H26O6/c1-10(7-6-8-23-13(4)20)16-11(2)9-15-17(12(3)19(22)25-15)18(16)24-14(5)21/h10,15,17-18H,3,6-9H2,1-2,4-5H3/t10-,15+,17+,18-/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCNC(=O)N)[C@]4(C2=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)O
InChI: InChI=1S/C48H43N5O9/c1-29(31-14-5-2-6-15-31)51-47(60)52-37-23-22-30(13-12-24-50-46(49)59)27-36(37)48(45(52)58)38(43(55)56)40-44(57)62-41(33-18-9-4-10-19-33)39(32-16-7-3-8-17-32)53(40)42(48)34-20-11-21-35(28-34)61-26-25-54/h2-11,14-23,27-29,38-42,54H,24-26H2,1H3,(H,51,60)(H,55,56)(H3,49,50,59)/t29-,38+,39+,40+,41-,42-,48+/m1/s1
SMILES: C[C@@]12CCC[C@@]([C@@H]1CCC3=CC(=C(C=C23)O)[N+](=O)[O-])(C)C(=O)O
InChI: InChI=1S/C17H21NO5/c1-16-6-3-7-17(2,15(20)21)14(16)5-4-10-8-12(18(22)23)13(19)9-11(10)16/h8-9,14,19H,3-7H2,1-2H3,(H,20,21)/t14-,16+,17-/m1/s1
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)OC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H26N4O5/c1-10-16(11(2)23(5)22-10)21-17(25)13(4)29-20(28)12(3)24-18(26)14-8-6-7-9-15(14)19(24)27/h6-7,12-15H,8-9H2,1-5H3,(H,21,25)/t12-,13+,14-,15+/m0/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](C4CCOCC4)NC(=O)C5=NC6=CC=CC=C6C=C5)O
InChI: InChI=1S/C41H55N5O5/c1-41(2,3)45-39(49)35-24-30-14-7-8-15-31(30)25-46(35)26-36(47)34(23-27-11-5-4-6-12-27)43-40(50)37(29-19-21-51-22-20-29)44-38(48)33-18-17-28-13-9-10-16-32(28)42-33/h4-6,9-13,16-18,29-31,34-37,47H,7-8,14-15,19-26H2,1-3H3,(H,43,50)(H,44,48)(H,45,49)/t30-,31+,34-,35-,36+,37-/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C
InChI: InChI=1S/C23H30N4O4/c1-16-5-3-4-10-23(16)21(30)27(22(31)24-23)15-20(29)26-13-11-25(12-14-26)19-8-6-18(7-9-19)17(2)28/h6-9,16H,3-5,10-15H2,1-2H3,(H,24,31)/t16-,23+/m1/s1
SMILES: COC(=O)[C@@H]1[C@H]2CC[C@H](O2)C[C@@H]1C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C15H16Cl2O3/c1-19-15(18)14-10(7-9-3-5-13(14)20-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14H,3,5,7H2,1H3/t9-,10+,13+,14-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](C(=C(N[C@]1(C)O)SCC2=CC=C(C=C2)F)C#N)C3=CC=CS3
InChI: InChI=1S/C21H21FN2O3S2/c1-3-27-20(25)18-17(16-5-4-10-28-16)15(11-23)19(24-21(18,2)26)29-12-13-6-8-14(22)9-7-13/h4-10,17-18,24,26H,3,12H2,1-2H3/t17-,18+,21-/m1/s1
SMILES: C1CN(CCN1C2=CC=CC=C2Cl)C(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H24ClN3O3/c22-17-7-3-4-8-18(17)23-11-13-24(14-12-23)19(26)9-10-25-20(27)15-5-1-2-6-16(15)21(25)28/h1-4,7-8,15-16H,5-6,9-14H2/t15-,16+
SMILES: C1[C@H]2[C@H]([C@H]3CO[C@@H](C2=O)O3)[C@@H]4N1C5=CC=CC=C5C=C4
InChI: InChI=1S/C16H15NO3/c18-15-10-7-17-11-4-2-1-3-9(11)5-6-12(17)14(10)13-8-19-16(15)20-13/h1-6,10,12-14,16H,7-8H2/t10-,12+,13+,14-,16+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2[C@](O2)(C)CCCC(C)C
InChI: InChI=1S/C17H26O4S/c1-13(2)6-5-11-17(4)16(21-17)12-20-22(18,19)15-9-7-14(3)8-10-15/h7-10,13,16H,5-6,11-12H2,1-4H3/t16-,17-/m0/s1
SMILES: C1C2=CON=C2[C@H]([C@H]([C@H](O1)[C@@H](COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C37H37NO6/c1-5-13-28(14-6-1)21-39-27-33(40-22-29-15-7-2-8-16-29)35-37(42-24-31-19-11-4-12-20-31)36(34-32(25-43-35)26-44-38-34)41-23-30-17-9-3-10-18-30/h1-20,26,33,35-37H,21-25,27H2/t33-,35-,36-,37+/m1/s1
SMILES: CC1([C@@H]([C@@H](C2=C(C3=CC=CC=C3N=C2O1)OC)OC(=O)[C@](C4=CC=CC=C4)(C(F)(F)F)OC)Br)C
InChI: InChI=1S/C25H23BrF3NO5/c1-23(2)20(26)19(17-18(32-3)15-12-8-9-13-16(15)30-21(17)35-23)34-22(31)24(33-4,25(27,28)29)14-10-6-5-7-11-14/h5-13,19-20H,1-4H3/t19-,20-,24-/m1/s1
SMILES: C/C=C(/C)\C(=O)O[C@@H]1[C@H]2[C@](O2)(C[C@@H]([C@@H]3[C@@]1(CC[C@]3(C(C)C)O)C)OC(=O)C)C
InChI: InChI=1S/C22H34O6/c1-8-13(4)19(24)27-17-18-21(7,28-18)11-15(26-14(5)23)16-20(17,6)9-10-22(16,25)12(2)3/h8,12,15-18,25H,9-11H2,1-7H3/b13-8-/t15-,16+,17+,18-,20-,21+,22+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N2CCC(CC2)C3=NC4=CC=CC=C4S3
InChI: InChI=1S/C22H31N3OS/c1-15-7-3-4-8-18(15)23-21(26)16(2)25-13-11-17(12-14-25)22-24-19-9-5-6-10-20(19)27-22/h5-6,9-10,15-18H,3-4,7-8,11-14H2,1-2H3,(H,23,26)/t15-,16-,18+/m1/s1
SMILES: CC/C=C\C=C/C=C\C(=O)N/C=C/C[C@H]1C[C@H]([C@H](C/C=C/CC2=C(C(=CC=C2)O[Si](C)(C)C(C)(C)C)C(=O)O1)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C40H63NO5Si2/c1-13-14-15-16-17-18-28-36(42)41-29-22-26-33-30-35(46-48(11,12)40(6,7)8)31(2)23-19-20-24-32-25-21-27-34(37(32)38(43)44-33)45-47(9,10)39(3,4)5/h14-22,25,27-29,31,33,35H,13,23-24,26,30H2,1-12H3,(H,41,42)/b15-14-,17-16-,20-19+,28-18-,29-22+/t31-,33-,35+/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=O)C)I)O[Si](C)(C)C(C)(C)C)OC(=O)C2=CC=CC=C2
InChI: InChI=1S/C21H31IO6Si/c1-13-17(27-19(24)15-11-9-8-10-12-15)18(28-29(6,7)21(3,4)5)16(22)20(25-13)26-14(2)23/h8-13,16-18,20H,1-7H3/t13-,16+,17-,18-,20-/m1/s1
SMILES: CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)[C@@H]4[C@@H]5C[C@H]([C@@H]4C3=O)C=C5
InChI: InChI=1S/C20H18N4O4S/c1-11-8-9-21-20(22-11)23-29(27,28)15-6-4-14(5-7-15)24-18(25)16-12-2-3-13(10-12)17(16)19(24)26/h2-9,12-13,16-17H,10H2,1H3,(H,21,22,23)/t12-,13+,16+,17-
SMILES: COC1=C(C(=CC(=C1)[C@@H]2[C@H](CCC(=O)N2)[N+](=O)[O-])Br)O
InChI: InChI=1S/C12H13BrN2O5/c1-20-9-5-6(4-7(13)12(9)17)11-8(15(18)19)2-3-10(16)14-11/h4-5,8,11,17H,2-3H2,1H3,(H,14,16)/t8-,11+/m0/s1
SMILES: CC/C=C/C[C@@H]([C@H]1C[C@@H]2[C@H](O1)C[C@H](O2)[C@@H](C#C[Si](C)(C)C)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H44O4Si2/c1-10-11-12-13-19(28-30(8,9)24(2,3)4)21-17-23-22(27-21)16-20(26-23)18(25)14-15-29(5,6)7/h11-12,18-23,25H,10,13,16-17H2,1-9H3/b12-11+/t18-,19+,20+,21-,22-,23-/m1/s1
SMILES: CCCCCCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)CO)O
InChI: InChI=1S/C24H44O12/c1-2-3-4-5-6-7-8-9-10-11-17(28)34-21-18(29)15(12-25)33-23(20(21)31)36-24(14-27)22(32)19(30)16(13-26)35-24/h15-16,18-23,25-27,29-32H,2-14H2,1H3/t15-,16-,18-,19-,20-,21+,22+,23-,24+/m1/s1
SMILES: COC1=CC=CC=C1NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@H]3[NH2+]2
InChI: InChI=1S/C17H23N3O3/c1-23-15-9-5-4-8-13(15)19-16(21)10-14-17(22)20-12-7-3-2-6-11(12)18-14/h4-5,8-9,11-12,14,18H,2-3,6-7,10H2,1H3,(H,19,21)(H,20,22)/p+1/t11-,12+,14+/m1/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NC4=O)O
InChI: InChI=1S/C35H29NO5/c1-19-16-21(12-15-28(19)37)31-23-13-14-24-30(34(41)36-33(24)40)26(23)17-27-32(39)25(20-8-4-2-5-9-20)18-29(38)35(27,31)22-10-6-3-7-11-22/h2-13,15-16,18,24,26-27,30-31,37H,14,17H2,1H3,(H,36,40,41)/t24-,26+,27-,30-,31-,35-/m0/s1
SMILES: C/C=C/CN1CC[C@]23[C@@H]4[C@@]5(CC[C@]2([C@H]1CC6=C3C(=C(C=C6)O)O4)C[C@@H]5[C@](C)(C(C)(C)C)O)OC
InChI: InChI=1S/C29H41NO4/c1-7-8-14-30-15-13-28-22-18-9-10-19(31)23(22)34-24(28)29(33-6)12-11-27(28,21(30)16-18)17-20(29)26(5,32)25(2,3)4/h7-10,20-21,24,31-32H,11-17H2,1-6H3/b8-7+/t20-,21-,24-,26-,27-,28+,29+/m1/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=CC(=C5)[N+](=O)[O-])CCCCO)CCCCO)OCC=C)N(CCOCCO)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C46H56N4O14/c1-3-24-60-46-42(48(20-25-59-26-23-53)45(54)63-34-16-14-32(15-17-34)49(55)56)30-40(47-61-4-2)38-27-31(10-5-7-21-51)37(13-6-8-22-52)43(44(38)46)39-29-36(18-19-41(39)64-46)62-35-12-9-11-33(28-35)50(57)58/h3,9,11-12,14-19,27-29,31,37,42-44,51-53H,1,4-8,10,13,20-26,30H2,2H3/t31-,37+,42-,43+,44+,46+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)I)F)OC(=O)C
InChI: InChI=1S/C13H14FIN2O7/c1-5(18)22-4-8-10(23-6(2)19)9(14)12(24-8)17-3-7(15)11(20)16-13(17)21/h3,8-10,12H,4H2,1-2H3,(H,16,20,21)/t8-,9-,10-,12-/m1/s1
SMILES: C1[C@H](O1)[C@H]([C@H]2[C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C20H22O4/c1-3-7-15(8-4-1)11-21-13-18-20(24-18)19(17-14-22-17)23-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18+,19+,20+/m0/s1
SMILES: CCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CSC5=CC=CC=C5
InChI: InChI=1S/C32H39FO5S/c1-5-9-28(37)38-32(27(36)19-39-23-10-7-6-8-11-23)20(2)16-25-24-13-12-21-17-22(34)14-15-29(21,3)31(24,33)26(35)18-30(25,32)4/h6-8,10-11,14-15,17,20,24-26,35H,5,9,12-13,16,18-19H2,1-4H3/t20-,24-,25-,26-,29-,30-,31-,32-/m0/s1
SMILES: C1CCC2(C=CC1)O[C@H]([C@@H](O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H22O2/c1-2-10-16-21(15-9-1)22-19(17-11-5-3-6-12-17)20(23-21)18-13-7-4-8-14-18/h3-9,11-15,19-20H,1-2,10,16H2/t19-,20-/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)NC(=O)C)CN4CC5(CC4CC(C5)(C)C)C
InChI: InChI=1S/C31H42N2O4/c1-20-27(16-33-19-31(5)15-26(33)14-30(3,4)18-31)36-29(24-7-6-8-25(13-24)32-21(2)35)37-28(20)23-11-9-22(17-34)10-12-23/h6-13,20,26-29,34H,14-19H2,1-5H3,(H,32,35)/t20-,26?,27+,28+,29+,31?/m0/s1
SMILES: C[C@H]1C=C(C[C@@H]([C@@H]1C(=O)O)C(=O)NCC2=CN=CC=C2)C
InChI: InChI=1S/C16H20N2O3/c1-10-6-11(2)14(16(20)21)13(7-10)15(19)18-9-12-4-3-5-17-8-12/h3-6,8,11,13-14H,7,9H2,1-2H3,(H,18,19)(H,20,21)/t11-,13-,14+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C(=O)C[C@@H]4C5=COC(=O)C=C5)C)O
InChI: InChI=1S/C24H32O4/c1-23-9-7-16(25)11-15(23)4-5-17-18(23)8-10-24(2)19(12-20(26)22(17)24)14-3-6-21(27)28-13-14/h3,6,13,15-19,22,25H,4-5,7-12H2,1-2H3/t15-,16+,17-,18+,19-,22-,23+,24-/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C(=CC(=C6)Br)OC)O)C7=CC=CC=C7)C8=CC(=CC=C8)Cl
InChI: InChI=1S/C41H34BrClN2O6/c1-3-22-12-14-26(15-13-22)44-37(47)29-17-16-28-30(34(29)39(44)49)21-32-38(48)45(27-11-7-10-25(43)20-27)40(50)41(32,23-8-5-4-6-9-23)35(28)31-18-24(42)19-33(51-2)36(31)46/h4-16,18-20,29-30,32,34-35,46H,3,17,21H2,1-2H3/t29-,30+,32-,34-,35+,41+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@](C(=O)N2C3=CC=CC=C3)(C4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)[N+]#N
InChI: InChI=1S/C28H20N4O2/c29-31-23-18-16-21(17-19-23)26(33)30-28(22-12-6-2-7-13-22)25(20-10-4-1-5-11-20)32(27(28)34)24-14-8-3-9-15-24/h1-19,25H/p+1/t25-,28-/m1/s1
SMILES: CC[C@H](C)N1C(=O)[C@@H]2[C@H](N[C@@]3([C@@H]2C1=O)C4=CC=CC=C4NC3=O)CCSC
InChI: InChI=1S/C20H25N3O3S/c1-4-11(2)23-17(24)15-14(9-10-27-3)22-20(16(15)18(23)25)12-7-5-6-8-13(12)21-19(20)26/h5-8,11,14-16,22H,4,9-10H2,1-3H3,(H,21,26)/t11-,14+,15+,16-,20+/m0/s1
SMILES: COC1=C(C=CC(=C1)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C(=O)N)O
InChI: InChI=1S/C38H32N2O7/c1-47-31-18-21(13-17-30(31)41)12-16-28-24-14-15-25-33(36(45)40(35(25)44)37(39)46)27(24)19-29-34(43)26(22-8-4-2-5-9-22)20-32(42)38(28,29)23-10-6-3-7-11-23/h2-14,16-18,20,25,27-29,33,41H,15,19H2,1H3,(H2,39,46)/t25-,27+,28-,29-,33-,38-/m0/s1
SMILES: CC(C)([C@@H]1[C@H](C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O
InChI: InChI=1S/C14H14O5/c1-14(2,17)13-12(16)8-5-7-3-4-11(15)18-9(7)6-10(8)19-13/h3-6,12-13,16-17H,1-2H3/t12-,13-/m0/s1
SMILES: C[C@@H](CCCC/C=C/C1=CC=C(C=C1)OC)[C@H]2[C@@H](OC(O2)(C)C)[C@H]([C@@H](COC(=O)C(C)(C)C)OCC3=CC=C(C=C3)OC)N=[N+]=[N-]
InChI: InChI=1S/C36H51N3O7/c1-25(13-11-9-10-12-14-26-15-19-28(41-7)20-16-26)32-33(46-36(5,6)45-32)31(38-39-37)30(24-44-34(40)35(2,3)4)43-23-27-17-21-29(42-8)22-18-27/h12,14-22,25,30-33H,9-11,13,23-24H2,1-8H3/b14-12+/t25-,30+,31-,32-,33-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)OC3(O2)C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5Cl
InChI: InChI=1S/C21H20ClNO3/c22-16-9-3-1-7-14(16)13-23-17-10-4-2-8-15(17)21(20(23)24)25-18-11-5-6-12-19(18)26-21/h1-4,7-10,18-19H,5-6,11-13H2/t18-,19+,21?
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C(=C2)F)C3[C@H]4[C@@H]3COC4)F
InChI: InChI=1S/C17H18F2N2O4/c1-8(22)20-4-10-5-21(17(23)25-10)9-2-13(18)16(14(19)3-9)15-11-6-24-7-12(11)15/h2-3,10-12,15H,4-7H2,1H3,(H,20,22)/t10-,11-,12+,15?/m0/s1
SMILES: C[C@H]1[C@@H]([C@@H]2CCCO[C@@H]2O1)OC(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CN(CC(C)C)S(=O)(=O)C4=CC=C(C=C4)N)O
InChI: InChI=1S/C29H41N3O7S/c1-19(2)17-32(40(35,36)23-13-11-22(30)12-14-23)18-26(33)25(16-21-8-5-4-6-9-21)31-29(34)39-27-20(3)38-28-24(27)10-7-15-37-28/h4-6,8-9,11-14,19-20,24-28,33H,7,10,15-18,30H2,1-3H3,(H,31,34)/t20-,24-,25-,26+,27-,28+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C4C(=C(C=C3)O)C=CC=C4O)O)O)O
InChI: InChI=1S/C25H26O12/c1-33-16-8-11(9-17(34-2)20(16)28)24(32)35-10-18-21(29)22(30)23(31)25(37-18)36-15-7-6-13(26)12-4-3-5-14(27)19(12)15/h3-9,18,21-23,25-31H,10H2,1-2H3/t18-,21-,22+,23-,25-/m1/s1
SMILES: CC(C)N(C[C@@H]1CNC[C@H]1CN(C)C(=O)C2CC2)C(=O)C3=CC(=C(C=C3)OC)OCCCOC
InChI: InChI=1S/C26H41N3O5/c1-18(2)29(17-22-15-27-14-21(22)16-28(3)25(30)19-7-8-19)26(31)20-9-10-23(33-5)24(13-20)34-12-6-11-32-4/h9-10,13,18-19,21-22,27H,6-8,11-12,14-17H2,1-5H3/t21-,22-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)/C#N
InChI: InChI=1S/C23H23ClN2O2/c1-16-5-2-3-8-22(16)26-23(27)18(15-25)13-17-6-4-7-21(14-17)28-20-11-9-19(24)10-12-20/h4,6-7,9-14,16,22H,2-3,5,8H2,1H3,(H,26,27)/b18-13+/t16-,22-/m1/s1
SMILES: CC(C)CSC[C@H]1[C@H]([C@@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI: InChI=1S/C14H21N5O3S/c1-7(2)3-23-4-8-10(20)11(21)14(22-8)19-6-18-9-12(15)16-5-17-13(9)19/h5-8,10-11,14,20-21H,3-4H2,1-2H3,(H2,15,16,17)/t8-,10+,11-,14+/m0/s1
SMILES: CCCCCCOC(=O)[C@H]1[C@H]2C=C[C@]3([C@@H]1C(=O)N(C3)C4=CC(=CC=C4)Cl)O2
InChI: InChI=1S/C21H24ClNO4/c1-2-3-4-5-11-26-20(25)17-16-9-10-21(27-16)13-23(19(24)18(17)21)15-8-6-7-14(22)12-15/h6-10,12,16-18H,2-5,11,13H2,1H3/t16-,17+,18+,21+/m1/s1
SMILES: CC1(C2CC(CCC(C2CC1=O)(CO)O)C(C)(C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C21H36O10/c1-19(2,31-18-17(27)16(26)15(25)13(8-22)30-18)10-4-5-21(29,9-23)12-7-14(24)20(3,28)11(12)6-10/h10-13,15-18,22-23,25-29H,4-9H2,1-3H3/t10?,11?,12?,13-,15-,16+,17-,18+,20?,21?/m1/s1
SMILES: CC(C)(C)OC(=O)N1CC[C@@H]([C@H]1CO)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H33NO4Si/c1-15(2,3)20-14(19)17-10-9-13(12(17)11-18)21-22(7,8)16(4,5)6/h12-13,18H,9-11H2,1-8H3/t12-,13+/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@](C(=O)O1)(C)F)C)O[C@H]3[C@H]([C@H](C[C@H](O3)C)NCC)O)(C)OC)C)C)N(C(=O)O2)CCNCC4=CN=CC=C4)C
InChI: InChI=1S/C39H61FN4O10/c1-11-28-39(9)31(44(36(49)54-39)17-16-42-21-26-14-13-15-41-20-26)24(5)29(45)22(3)19-37(7,50-10)33(25(6)32(47)38(8,40)35(48)52-28)53-34-30(46)27(43-12-2)18-23(4)51-34/h13-15,20,22-25,27-28,30-31,33-34,42-43,46H,11-12,16-19,21H2,1-10H3/t22-,23-,24+,25-,27+,28-,30+,31?,33-,34+,37-,38+,39-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](/C(=N/OC)/[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)NCCCN4C=C(N=C4)C5=CN=CC=C5)C
InChI: InChI=1S/C43H66FN7O10/c1-13-32-43(8)35(51(40(55)61-43)47-18-15-19-50-23-30(46-24-50)29-16-14-17-45-22-29)27(4)33(48-57-12)25(2)21-41(6,56-11)37(28(5)36(53)42(7,44)39(54)59-32)60-38-34(52)31(49(9)10)20-26(3)58-38/h14,16-17,22-28,31-32,34-35,37-38,47,52H,13,15,18-21H2,1-12H3/b48-33+/t25-,26-,27+,28+,31+,32-,34-,35-,37-,38+,41+,42+,43-/m1/s1