EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCCOC(=O)C1=CC=CC=C1N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C20H23NO4/c1-2-3-10-25-20(24)14-6-4-5-7-15(14)21-18(22)16-12-8-9-13(11-12)17(16)19(21)23/h4-7,12-13,16-17H,2-3,8-11H2,1H3/t12-,13-,16-,17-/m0/s1
SMILES: COC1=CC=C(C=C1)CN2C(=O)[C@]3(C[C@H]([C@H](O3)COCC4=CC=CC=C4)O)NC2=O
InChI: InChI=1S/C22H24N2O6/c1-28-17-9-7-15(8-10-17)12-24-20(26)22(23-21(24)27)11-18(25)19(30-22)14-29-13-16-5-3-2-4-6-16/h2-10,18-19,25H,11-14H2,1H3,(H,23,27)/t18-,19-,22-/m1/s1
SMILES: CC1=CC=C(C=C1)CN2CCN(CC2)C[C@@H]3C[C@H]4C[C@@H]3C=C4
InChI: InChI=1S/C20H28N2/c1-16-2-4-17(5-3-16)14-21-8-10-22(11-9-21)15-20-13-18-6-7-19(20)12-18/h2-7,18-20H,8-15H2,1H3/t18-,19+,20+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CCC(=C)[C@@H]2CO)C
InChI: InChI=1S/C17H28O3/c1-11-6-7-14-16(3,4)15(20-12(2)19)8-9-17(14,5)13(11)10-18/h13-15,18H,1,6-10H2,2-5H3/t13-,14-,15-,17+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@]2(COC(O2)C3=CC=CC=C3)[C@@H]([C@H](O1)OC)O
InChI: InChI=1S/C20H32O6Si/c1-19(2,3)27(5,6)24-12-15-20(16(21)18(22-4)25-15)13-23-17(26-20)14-10-8-7-9-11-14/h7-11,15-18,21H,12-13H2,1-6H3/t15-,16-,17?,18+,20-/m1/s1
SMILES: C1C[NH2+][C@@H]2[C@]1(C(=O)C=CC2)C3=CC=CC=C3[N+](=O)[O-].[Cl-]
InChI: InChI=1S/C14H14N2O3.ClH/c17-13-7-3-6-12-14(13,8-9-15-12)10-4-1-2-5-11(10)16(18)19;/h1-5,7,12,15H,6,8-9H2;1H/t12-,14+;/m0./s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@H](C3C4=CC=CC=C4C2C5=CC=CC=C35)OC(=O)[C@H]6CC[C@H](C6)C(=O)O
InChI: InChI=1S/C30H29NO6S/c1-17-10-14-20(15-11-17)38(35,36)31-27-25-21-6-2-4-8-23(21)26(24-9-5-3-7-22(24)25)28(27)37-30(34)19-13-12-18(16-19)29(32)33/h2-11,14-15,18-19,25-28,31H,12-13,16H2,1H3,(H,32,33)/t18-,19+,25?,26?,27-,28+/m1/s1
SMILES: C[C@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NCC2=CC=CC=C2Cl
InChI: InChI=1S/C18H21ClN2O6/c1-11-6-16(22)13(14(11)9-21(25)26)7-18(24)27-10-17(23)20-8-12-4-2-3-5-15(12)19/h2-5,11,13-14H,6-10H2,1H3,(H,20,23)/t11-,13-,14+/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O)N
InChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C=NC3=CN=C(N=C32)Cl)COS(=O)(=O)N
InChI: InChI=1S/C14H16ClN5O8S/c1-6(21)26-10-9(4-25-29(16,23)24)28-13(11(10)27-7(2)22)20-5-18-8-3-17-14(15)19-12(8)20/h3,5,9-11,13H,4H2,1-2H3,(H2,16,23,24)/t9-,10-,11-,13-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)(C)O)C)CCCNC(=O)NC2=CC=CC3=CC=CC=C32)C)O)(C)O
InChI: InChI=1S/C35H55N3O8/c1-8-28-35(7,45)31(41)24(5)38(18-12-17-36-33(43)37-27-16-11-14-25-13-9-10-15-26(25)27)20-21(2)19-34(6,44)30(40)22(3)29(39)23(4)32(42)46-28/h9-11,13-16,21-24,28-31,39-41,44-45H,8,12,17-20H2,1-7H3,(H2,36,37,43)/t21-,22+,23-,24-,28-,29+,30-,31-,34-,35-/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@H]2CN(CC3)C)C(=O)/C=C/C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C23H24N2O3/c1-15-3-6-19-17(11-15)18-13-24(2)10-9-20(18)25(19)23(26)8-5-16-4-7-21-22(12-16)28-14-27-21/h3-8,11-12,18,20H,9-10,13-14H2,1-2H3/b8-5+/t18-,20+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=O)C(=CN2[C@H]3C[C@H]([C@H](O3)CO)O)C
InChI: InChI=1S/C17H21N3O6S/c1-10-3-5-12(6-4-10)27(24,25)19-17-18-16(23)11(2)8-20(17)15-7-13(22)14(9-21)26-15/h3-6,8,13-15,21-22H,7,9H2,1-2H3,(H,18,19,23)/t13-,14-,15-/m1/s1
SMILES: CCOC(=O)C1C([C@@H]([C@H]2N1C(=O)[C@@H]2[C@@H](C)O[Si](C)(C)C(C)(C)C)C)SC
InChI: InChI=1S/C19H35NO4SSi/c1-10-23-18(22)15-16(25-7)11(2)14-13(17(21)20(14)15)12(3)24-26(8,9)19(4,5)6/h11-16H,10H2,1-9H3/t11-,12-,13-,14-,15?,16?/m1/s1
SMILES: CCN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)/C=C/C(=O)NC5=NN=C(C=C5)Cl
InChI: InChI=1S/C23H24ClN5O/c1-2-29-13-14(6-9-22(30)26-21-8-7-20(24)27-28-21)10-17-16-4-3-5-18-23(16)15(12-25-18)11-19(17)29/h3-9,12,14,17,19,25H,2,10-11,13H2,1H3,(H,26,28,30)/b9-6+/t14-,17-,19-/m1/s1
SMILES: C1[C@H]2C=CC=C3[C@@H]1[C@@H](C=CC2=O)[C@@H]4C=CC(=O)[C@H]5C[C@@H]4C3=CC=C5
InChI: InChI=1S/C22H20O2/c23-21-9-7-17-18-8-10-22(24)14-4-2-6-16(20(18)12-14)15-5-1-3-13(21)11-19(15)17/h1-10,13-14,17-20H,11-12H2/t13-,14-,17+,18+,19-,20-/m1/s1
SMILES: CCC=CC(=O)N(CCC1=CC(=CC=C1)F)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)C=O)C(=O)NCCO
InChI: InChI=1S/C30H33FN2O7/c1-3-4-8-25(36)33(11-9-18-6-5-7-20(31)13-18)23-16-22(30(38)32-10-12-34)26-21-14-19(17-35)15-24(39-2)28(21)40-29(26)27(23)37/h4-8,13-17,23,26-27,29,34,37H,3,9-12H2,1-2H3,(H,32,38)/t23-,26+,27+,29+/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)N4C(=O)[C@@H]5CCCC[C@@H]5C4=O
InChI: InChI=1S/C24H34N2O5/c1-14(26-21(28)18-4-2-3-5-19(18)22(26)29)23(30)31-12-20(27)25-13-24-9-15-6-16(10-24)8-17(7-15)11-24/h14-19H,2-13H2,1H3,(H,25,27)/t14-,15?,16?,17?,18-,19+,24?/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)N([C@@H]1CC=C)CC2=CC=C(C=C2)OC
InChI: InChI=1S/C22H35NO3Si/c1-8-9-19-20(26-27(6,7)22(2,3)4)14-15-21(24)23(19)16-17-10-12-18(25-5)13-11-17/h8,10-13,19-20H,1,9,14-16H2,2-7H3/t19-,20+/m1/s1
SMILES: CC1=CC=CC=C1N2[C@H]3[C@H](C(=N2)C(=O)OC)C(=O)N(C3=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C20H16ClN3O4/c1-11-5-3-4-6-14(11)24-17-15(16(22-24)20(27)28-2)18(25)23(19(17)26)13-9-7-12(21)8-10-13/h3-10,15,17H,1-2H3/t15-,17-/m0/s1
SMILES: C[C@@]1([C@H]2C[C@H]3CC(=O)C(C(=O)[C@]3(C(=O)C2C(=O)C4=C1C(=C(C(=C4O)N)Cl)N)O)C(=O)N)O
InChI: InChI=1S/C20H20ClN3O8/c1-19(31)5-2-4-3-6(25)8(18(24)30)17(29)20(4,32)16(28)7(5)14(26)9-10(19)12(22)11(21)13(23)15(9)27/h4-5,7-8,27,31-32H,2-3,22-23H2,1H3,(H2,24,30)/t4-,5-,7?,8?,19-,20-/m0/s1
SMILES: CC12CCC(O1)([C@H]3[C@@H]2C(=O)N(C3=O)C4=CC5=C(C=C4)N=CS5)C
InChI: InChI=1S/C17H16N2O3S/c1-16-5-6-17(2,22-16)13-12(16)14(20)19(15(13)21)9-3-4-10-11(7-9)23-8-18-10/h3-4,7-8,12-13H,5-6H2,1-2H3/t12-,13+,16?,17?
SMILES: C1CN2C[C@@H]([C@H]1C[C@@H]2CN3C=C(N=N3)C4=CC=CC=N4)C(=O)NCC5=CC=CS5
InChI: InChI=1S/C21H24N6OS/c28-21(23-11-17-4-3-9-29-17)18-13-26-8-6-15(18)10-16(26)12-27-14-20(24-25-27)19-5-1-2-7-22-19/h1-5,7,9,14-16,18H,6,8,10-13H2,(H,23,28)/t15-,16-,18+/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=CC(=CC=C4)F
InChI: InChI=1S/C27H35FN4O5S/c1-15(34)29-9-10-30-22(36)12-18-23-19(13-20-26(18,2)8-7-21(35)27(20,3)14-33)38-25(31-23)32-24(37)16-5-4-6-17(28)11-16/h4-6,11,18,20-21,33,35H,7-10,12-14H2,1-3H3,(H,29,34)(H,30,36)(H,31,32,37)/t18-,20+,21-,26+,27+/m1/s1
SMILES: C[C@]12CCCC(C1CC[C@H]3[C@@H]2CO[C@H](O3)C4=C(C=CC5=CC=CC=C54)O)(C)C
InChI: InChI=1S/C25H32O3/c1-24(2)13-6-14-25(3)18-15-27-23(28-20(18)11-12-21(24)25)22-17-8-5-4-7-16(17)9-10-19(22)26/h4-5,7-10,18,20-21,23,26H,6,11-15H2,1-3H3/t18-,20-,21?,23+,25+/m0/s1
SMILES: C1[C@@H]2[C@H]3[C@@H]([C@H]1ON2C(=O)C4=CC=CC=C4)C(=NO3)C5=CC=CC=C5
InChI: InChI=1S/C19H16N2O3/c22-19(13-9-5-2-6-10-13)21-14-11-15(24-21)16-17(20-23-18(14)16)12-7-3-1-4-8-12/h1-10,14-16,18H,11H2/t14-,15+,16+,18+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC)CNC(=S)N[C@@H](CO)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)O
InChI: InChI=1S/C23H36N2O13S/c1-9(27)32-16-13(35-20(31-6)19(34-11(3)29)18(16)33-10(2)28)7-24-22(39)25-12(8-26)15-14(30)17-21(36-15)38-23(4,5)37-17/h12-21,26,30H,7-8H2,1-6H3,(H2,24,25,39)/t12-,13+,14-,15+,16+,17+,18-,19+,20-,21+/m0/s1
SMILES: C[C@H]1[C@H]2[C@@H](C(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])[C@@]4([NH2+]1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C20H16N4O5/c1-10-15-16(20(22-10)13-7-2-3-8-14(13)21-19(20)27)18(26)23(17(15)25)11-5-4-6-12(9-11)24(28)29/h2-10,15-16,22H,1H3,(H,21,27)/p+1/t10-,15-,16-,20-/m0/s1
SMILES: CCCC[C@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=CS3)C(=O)N(C2=O)C4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C22H24N2O4S/c1-3-4-12-22(21(27)28-2)17-16(18(23-22)15-11-8-13-29-15)19(25)24(20(17)26)14-9-6-5-7-10-14/h5-11,13,16-18,23H,3-4,12H2,1-2H3/t16-,17+,18-,22-/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@](C)([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C48H53NO14/c1-26-32(61-43(56)46(7,57)38(29-17-11-8-12-18-29)49-41(54)30-19-13-9-14-20-30)24-48(58)40(62-42(55)31-21-15-10-16-22-31)37-45(6,33(52)23-34-47(37,25-59-34)63-28(3)51)39(53)36(60-27(2)50)35(26)44(48,4)5/h8-22,32-34,36-38,40,52,57-58H,23-25H2,1-7H3,(H,49,54)/t32-,33-,34+,36+,37?,38-,40-,45+,46+,47-,48+/m0/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@@H](N[C@@]3([C@@H]2C1=O)C4=CC=CC(=C4NC3=O)CC)CCC(=O)O
InChI: InChI=1S/C22H27N3O5/c1-3-5-11-25-19(28)16-14(9-10-15(26)27)24-22(17(16)20(25)29)13-8-6-7-12(4-2)18(13)23-21(22)30/h6-8,14,16-17,24H,3-5,9-11H2,1-2H3,(H,23,30)(H,26,27)/t14-,16+,17-,22+/m0/s1
SMILES: C=CCN1[C@@H]2CS(=O)(=O)C[C@@H]2SC1=NC(=O)CSCC3=CC=CC=C3
InChI: InChI=1S/C17H20N2O3S3/c1-2-8-19-14-11-25(21,22)12-15(14)24-17(19)18-16(20)10-23-9-13-6-4-3-5-7-13/h2-7,14-15H,1,8-12H2/t14-,15+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=C(C=C5)O)Cl)C(=O)N(C4=O)C6=CC=CC=C6)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C33H27ClN2O5/c1-33-25(30(39)36(32(33)41)19-10-6-3-7-11-19)17-24-21(28(33)22-13-12-20(37)16-26(22)34)14-15-23-27(24)31(40)35(29(23)38)18-8-4-2-5-9-18/h2-14,16,23-25,27-28,37H,15,17H2,1H3/t23-,24+,25-,27-,28+,33+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@H]3CC=C[C@H]3C4=C(C=CC(=C4N2)C)C(=O)[O-]
InChI: InChI=1S/C21H21NO2/c1-12-6-9-14(10-7-12)20-16-5-3-4-15(16)18-17(21(23)24)11-8-13(2)19(18)22-20/h3-4,6-11,15-16,20,22H,5H2,1-2H3,(H,23,24)/p-1/t15-,16-,20+/m1/s1
SMILES: C1C=CC[C@H]([C@@H]1C(=O)NC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)Cl)C(=O)[O-]
InChI: InChI=1S/C21H19ClN2O4/c22-13-6-5-7-14(12-13)23-20(26)17-10-3-4-11-18(17)24-19(25)15-8-1-2-9-16(15)21(27)28/h1-7,10-12,15-16H,8-9H2,(H,23,26)(H,24,25)(H,27,28)/p-1/t15-,16-/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)[C@@H]3[C@@H](CC[C@H]3C(C)(C)C)C(=O)OC(C)(C)C
InChI: InChI=1S/C29H41NO2/c1-21(23-16-12-9-13-17-23)30(20-22-14-10-8-11-15-22)26-24(27(31)32-29(5,6)7)18-19-25(26)28(2,3)4/h8-17,21,24-26H,18-20H2,1-7H3/t21-,24+,25+,26+/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3C[C@H]5C4=CC(=O)O5)C
InChI: InChI=1S/C21H24O4/c1-20-6-5-12(22)7-11(20)3-4-13-14-8-17-15(9-18(24)25-17)21(14,2)10-16(23)19(13)20/h7,9,13-14,17,19H,3-6,8,10H2,1-2H3/t13-,14-,17-,19+,20-,21-/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3[C@@H](C[C@]4([C@@H]3COC(C4)O)C5=CC=C(C=C5)F)OC6CCCCO6
InChI: InChI=1S/C36H45FO5Si/c1-35(2,3)43(28-12-6-4-7-13-28,29-14-8-5-9-15-29)41-24-30-31-25-40-33(38)23-36(31,26-17-19-27(37)20-18-26)22-32(30)42-34-16-10-11-21-39-34/h4-9,12-15,17-20,30-34,38H,10-11,16,21-25H2,1-3H3/t30-,31-,32-,33?,34?,36-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC#N)O)CCC4=C3C=CC(=C4)OC
InChI: InChI=1S/C21H27NO2/c1-20-9-7-17-16-6-4-15(24-2)13-14(16)3-5-18(17)19(20)8-10-21(20,23)11-12-22/h4,6,13,17-19,23H,3,5,7-11H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
SMILES: CCOC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)N(C2=O)COC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)F)O
InChI: InChI=1S/C22H34FN3O9/c1-7-32-10-15-14(27)8-16(34-15)25-9-13(23)18(28)26(21(25)31)11-33-19(29)17(12(2)3)24-20(30)35-22(4,5)6/h9,12,14-17,27H,7-8,10-11H2,1-6H3,(H,24,30)/t14-,15+,16+,17-/m0/s1
SMILES: C[C@]12CC3=C(C=C1CC[C@@H]2C[C@H](C4=CSC5=CC=CC=C54)O)N(N=C3)C6=CC=C(C=C6)F
InChI: InChI=1S/C27H25FN2OS/c1-27-14-17-15-29-30(21-10-8-20(28)9-11-21)24(17)12-18(27)6-7-19(27)13-25(31)23-16-32-26-5-3-2-4-22(23)26/h2-5,8-12,15-16,19,25,31H,6-7,13-14H2,1H3/t19-,25-,27+/m1/s1
SMILES: CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)N3C(=O)[C@H]4[C@@H]5C[C@H]([C@H]4C3=O)C=C5
InChI: InChI=1S/C23H20N2O3/c1-13-5-2-3-8-18(13)24-21(26)16-6-4-7-17(12-16)25-22(27)19-14-9-10-15(11-14)20(19)23(25)28/h2-10,12,14-15,19-20H,11H2,1H3,(H,24,26)/t14-,15+,19-,20+
SMILES: C1CCC2=NN([C@H]([C@H]2C1)NNC(=O)C3=CC=C(C=C3)Br)C(=O)C4=CC=C(C=C4)Br
InChI: InChI=1S/C21H20Br2N4O2/c22-15-9-5-13(6-10-15)20(28)25-24-19-17-3-1-2-4-18(17)26-27(19)21(29)14-7-11-16(23)12-8-14/h5-12,17,19,24H,1-4H2,(H,25,28)/t17-,19+/m0/s1
SMILES: CO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCC5)C(=O)O
InChI: InChI=1S/C21H21N7O5S2/c1-33-25-13(16-24-21(22)35-26-16)17(29)23-14-18(30)28-15(20(31)32)11(9-34-19(14)28)8-27-7-3-5-10-4-2-6-12(10)27/h3,5,7,14,19H,2,4,6,8-9H2,1H3,(H3-,22,23,24,26,29,31,32)/p+1/b25-13-/t14-,19-/m1/s1
SMILES: CC[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4CC3C(=O)NC(C)(C)C)O
InChI: InChI=1S/C31H49N3O6S/c1-5-28-27(15-16-41(28,38)39)40-30(37)32-24(17-21-11-7-6-8-12-21)26(35)20-34-19-23-14-10-9-13-22(23)18-25(34)29(36)33-31(2,3)4/h6-8,11-12,22-28,35H,5,9-10,13-20H2,1-4H3,(H,32,37)(H,33,36)/t22-,23+,24-,25?,26+,27+,28+/m0/s1
SMILES: CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
InChI: InChI=1S/C17H19NO3.C15H22N4O3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h2-5,10-11,13,16,19-20H,6-8H2,1H3;10H,4-9H2,1-3H3/t10-,11+,13-,16-,17-;/m0./s1
SMILES: C1[C@@H]2[C@]3(C(=O)C4=CC=CC=C4C(=O)[C@@]3(CO2)O)OC1=O
InChI: InChI=1S/C14H10O6/c15-10-5-9-14(20-10)12(17)8-4-2-1-3-7(8)11(16)13(14,18)6-19-9/h1-4,9,18H,5-6H2/t9-,13-,14-/m1/s1
SMILES: C[C@@H]1C=C([C@H]2[C@H]([C@@]1(CO[C@H]2C3=CN=CC=C3)CO)C)C
InChI: InChI=1S/C17H23NO2/c1-11-7-12(2)17(9-19)10-20-16(15(11)13(17)3)14-5-4-6-18-8-14/h4-8,12-13,15-16,19H,9-10H2,1-3H3/t12-,13-,15+,16+,17-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)[O-])C3=CC(=C4C(=C3)C5=CC=CC=C5C4=O)CN6C=C[N+](=C6)CC7=CC=CC=C7)O
InChI: InChI=1S/C33H27N3O5/c1-19(37)28-27-15-25(30(33(40)41)36(27)32(28)39)21-13-22(29-26(14-21)23-9-5-6-10-24(23)31(29)38)17-35-12-11-34(18-35)16-20-7-3-2-4-8-20/h2-14,18-19,27-28,37H,15-17H2,1H3/t19-,27-,28-/m1/s1
SMILES: C[C@@H]1C[C@@H](O[C@@]([C@H]1O)(C[C@@H]2C[C@@H]([C@H]([C@@H](O2)CCO)C)OCC3=CC=CC=C3)OC)C(C)(C)[C@@H](C=C)OCC4=CC=C(C=C4)OC
InChI: InChI=1S/C37H54O8/c1-8-33(43-24-28-14-16-29(40-6)17-15-28)36(4,5)34-20-25(2)35(39)37(41-7,45-34)22-30-21-32(26(3)31(44-30)18-19-38)42-23-27-12-10-9-11-13-27/h8-17,25-26,30-35,38-39H,1,18-24H2,2-7H3/t25-,26+,30+,31+,32+,33-,34-,35+,37-/m1/s1
SMILES: CCOC1=CC=C(C=C1)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C5=C(N2)C=CC(=C5)[N+](=O)[O-]
InChI: InChI=1S/C22H24N2O3/c1-2-27-17-8-5-13(6-9-17)22-21-15-4-3-14(11-15)20(21)18-12-16(24(25)26)7-10-19(18)23-22/h5-10,12,14-15,20-23H,2-4,11H2,1H3/t14-,15+,20+,21-,22+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)[C@@H](CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)N=[N+]=[N-])OCC5=CC=CC=C5)O
InChI: InChI=1S/C34H39N5O6Si/c1-23-20-39(33(42)36-31(23)41)32-28(40)30(43-21-24-14-8-5-9-15-24)29(45-32)27(37-38-35)22-44-46(34(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-20,27-30,32,40H,21-22H2,1-4H3,(H,36,41,42)/t27-,28+,29-,30+,32-/m1/s1
SMILES: CC1=C2C(=C3[C@H]4COC(=O)[C@H](CS[C@H](C3=C1OC(=O)C)C5N4[C@H]([C@@H]6CC7=C([C@H]5N6C)C(=O)C(=C(C7=O)C)OC)O)NC(=O)C)OCO2
InChI: InChI=1S/C32H35N3O11S/c1-11-24(38)15-7-17-31(40)35-18-8-43-32(41)16(33-13(3)36)9-47-30(23(35)22(34(17)5)19(15)25(39)27(11)42-6)21-20(18)29-28(44-10-45-29)12(2)26(21)46-14(4)37/h16-18,22-23,30-31,40H,7-10H2,1-6H3,(H,33,36)/t16-,17-,18+,22+,23?,30+,31-/m0/s1
SMILES: CCC(C)C1[C@@H](C=C[C@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C4C5(O4)CO[C@H]6[C@@]5(C(C=C([C@H]6O)C)C(=O)O3)O)C)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)O)OC)OC)\C)C
InChI: InChI=1S/C48H72O15/c1-11-24(2)42-27(5)16-17-46(63-42)22-32-19-31(61-46)14-12-25(3)41(59-38-21-35(54-10)43(30(8)57-38)60-37-20-34(53-9)40(50)29(7)56-37)26(4)13-15-36-47(62-36)23-55-44-39(49)28(6)18-33(45(51)58-32)48(44,47)52/h12-13,15-18,24,26-27,29-44,49-50,52H,11,14,19-23H2,1-10H3/b15-13+,25-12+/t24?,26-,27+,29?,30?,31+,32-,33?,34?,35?,36?,37?,38?,39+,40?,41?,42?,43?,44+,46-,47?,48+/m0/s1
SMILES: COC[C@@H]1[C@H]2CC[C@H](C23[C@@H]1C=C3)OC(=O)C4=CC(=O)CC4
InChI: InChI=1S/C17H20O4/c1-20-9-12-13-4-5-15(17(13)7-6-14(12)17)21-16(19)10-2-3-11(18)8-10/h6-8,12-15H,2-5,9H2,1H3/t12-,13-,14-,15-,17?/m1/s1
SMILES: CSC1=CC=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC5CCCCO5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CCOCCO)C(=O)C7CC7)OCC=C
InChI: InChI=1S/C47H64N2O10S/c1-3-25-56-47-42(49(21-27-54-28-24-52)46(53)32-13-14-32)31-40(48-59-43-12-6-9-26-55-43)38-29-33(10-4-7-22-50)37(11-5-8-23-51)44(45(38)47)39-30-35(17-20-41(39)58-47)57-34-15-18-36(60-2)19-16-34/h3,15-20,29-30,32-33,37,42-45,50-52H,1,4-14,21-28,31H2,2H3/t33-,37+,42-,43?,44+,45+,47+/m0/s1
SMILES: COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)C[C@H]4C[C@H]5C[C@H]4C=C5
InChI: InChI=1S/C24H35N3O/c1-28-24-5-3-2-4-23(24)27-14-12-26(13-15-27)22-8-10-25(11-9-22)18-21-17-19-6-7-20(21)16-19/h2-7,19-22H,8-18H2,1H3/t19-,20-,21-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)O[C@@H]2[C@H](OC(=O)[C@@H]2OC(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C38H30O7/c39-35(27-16-6-1-7-17-27)44-33-32(43-37(41)34(33)45-36(40)28-18-8-2-9-19-28)26-42-38(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25,32-34H,26H2/t32-,33-,34-/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]2C6=C(C=CC(=C6)OC)O)C(=O)N(C5=O)CCC(=O)O)C(=O)N(C3=O)NC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C37H33Cl2N3O9/c1-50-20-6-3-18(4-7-20)37-26(34(47)42(36(37)49)40-28-11-5-19(38)15-27(28)39)17-24-22(32(37)25-16-21(51-2)8-12-29(25)43)9-10-23-31(24)35(48)41(33(23)46)14-13-30(44)45/h3-9,11-12,15-16,23-24,26,31-32,40,43H,10,13-14,17H2,1-2H3,(H,44,45)/t23-,24+,26-,31-,32+,37+/m0/s1
SMILES: C1=CC=C(C=C1)CC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C17H18N4O4/c22-7-12-14(23)15(24)17(25-12)21-9-20-13-11(18-8-19-16(13)21)6-10-4-2-1-3-5-10/h1-5,8-9,12,14-15,17,22-24H,6-7H2/t12-,14-,15-,17-/m1/s1
SMILES: C[C@@H]1CCC[NH+](C1)C[C@@H]2[C@H]3C[C@@H]4[C@](CCC[C@]45CO5)(C[C@H]3OC2=O)C
InChI: InChI=1S/C21H33NO3/c1-14-5-3-8-22(11-14)12-16-15-9-18-20(2,10-17(15)25-19(16)23)6-4-7-21(18)13-24-21/h14-18H,3-13H2,1-2H3/p+1/t14-,15-,16-,17-,18-,20-,21+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](CC=C([C@@H]2C4=CC(=C(C=C4)O)OC)C=C)C(=O)N(C3=O)NC5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C30H26Cl2N2O5/c1-4-17-5-12-22-28(36)34(33-24-13-9-20(31)16-23(24)32)29(37)30(22,19-7-10-21(38-2)11-8-19)27(17)18-6-14-25(35)26(15-18)39-3/h4-11,13-16,22,27,33,35H,1,12H2,2-3H3/t22-,27+,30+/m0/s1
SMILES: C1CCOC(C1)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)N(C3=O)C4=CC=CC=C4)OC5CCCCO5)OC6CCCCO6
InChI: InChI=1S/C30H40N2O9/c33-23-15-16-31(30(34)32(23)21-10-2-1-3-11-21)29-28(41-26-14-6-9-19-37-26)27(40-25-13-5-8-18-36-25)22(39-29)20-38-24-12-4-7-17-35-24/h1-3,10-11,15-16,22,24-29H,4-9,12-14,17-20H2/t22-,24?,25?,26?,27-,28-,29-/m1/s1
SMILES: C1CC[NH+]2C[C@@H]3CCC[C@@H]4[C@@H]3[NH+]([C@@H]2C1)CCC4
InChI: InChI=1S/C15H26N2/c1-2-9-16-11-13-6-3-5-12-7-4-10-17(15(12)13)14(16)8-1/h12-15H,1-11H2/p+2/t12-,13-,14+,15-/m0/s1
SMILES: C[C@]12CCC3=C(C1CC[C@@H]2C(=O)NC(C)(C)C)CCC4=CC(=O)CCN43
InChI: InChI=1S/C22H32N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h13,17-18H,5-12H2,1-4H3,(H,23,26)/t17?,18-,22+/m1/s1
SMILES: C1=CC=C(C=C1)NN2C(=O)[C@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C24H18N2O2/c27-23-21-19-15-10-4-5-11-16(15)20(18-13-7-6-12-17(18)19)22(21)24(28)26(23)25-14-8-2-1-3-9-14/h1-13,19-22,25H/t19?,20?,21-,22-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H]([C@@H](O1)N2C=CC3=C2N=C(N=C3Cl)N)F
InChI: InChI=1S/C17H26ClFN4O2Si/c1-17(2,3)26(4,5)24-9-10-8-12(19)15(25-10)23-7-6-11-13(18)21-16(20)22-14(11)23/h6-7,10,12,15H,8-9H2,1-5H3,(H2,20,21,22)/t10-,12-,15+/m0/s1
SMILES: C/C(=N/OC(=O)C)/[C@@]12C[C@@H]1C[C@@H]3[C@@]2(CC[C@@H]4[C@@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C
InChI: InChI=1S/C26H37NO4/c1-15(27-31-17(3)29)26-14-19(26)13-23-21-7-6-18-12-20(30-16(2)28)8-10-24(18,4)22(21)9-11-25(23,26)5/h6,19-23H,7-14H2,1-5H3/b27-15-/t19-,20-,21-,22+,23-,24-,25-,26-/m0/s1
SMILES: C1=C[C@H]2[C@@H]3[C@H]([C@@H]1C2CC(=O)OCCCCBr)C(=O)NC3=O
InChI: InChI=1S/C15H18BrNO4/c16-5-1-2-6-21-11(18)7-10-8-3-4-9(10)13-12(8)14(19)17-15(13)20/h3-4,8-10,12-13H,1-2,5-7H2,(H,17,19,20)/t8-,9+,10?,12-,13+
SMILES: COC(C12[C@@H]3[C@@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=C(C=C6)Cl)OC
InChI: InChI=1S/C27H22ClNO4/c1-32-26(33-2)27-19-9-5-3-7-17(19)21(18-8-4-6-10-20(18)27)22-23(27)25(31)29(24(22)30)16-13-11-15(28)12-14-16/h3-14,21-23,26H,1-2H3/t21?,22-,23-,27?/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC(=C5)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)Cl)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C34H27Cl2FN2O6/c1-34-24(31(42)39(33(34)44)18-7-11-26(37)25(36)13-18)15-22-20(29(34)23-14-19(45-2)8-12-27(23)40)9-10-21-28(22)32(43)38(30(21)41)17-5-3-16(35)4-6-17/h3-9,11-14,21-22,24,28-29,40H,10,15H2,1-2H3/t21-,22+,24-,28-,29+,34+/m0/s1
SMILES: CC(=O)OC[C@]1([C@@H](CC[C@@]2(C1C[C@@H]([C@]34[C@H]2CC[C@H](C3)[C@H](C4)[C@@H]5CO5)O)C)O)C
InChI: InChI=1S/C23H36O5/c1-13(24)28-12-22(3)18-8-20(26)23-9-14(15(10-23)16-11-27-16)4-5-17(23)21(18,2)7-6-19(22)25/h14-20,25-26H,4-12H2,1-3H3/t14-,15+,16+,17+,18?,19-,20+,21+,22-,23-/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H17N3O4S/c19-26(24,25)13-8-9-17-16(10-13)14-2-1-3-15(14)18(20-17)11-4-6-12(7-5-11)21(22)23/h1-2,4-10,14-15,18,20H,3H2,(H2,19,24,25)/t14-,15+,18-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNS(=O)(=O)C5=CC=CC=C5)CN6C=NC7=CC=CC=C76
InChI: InChI=1S/C39H37N3O5S/c1-27-37(24-42-26-40-35-15-5-6-16-36(35)42)46-39(47-38(27)30-19-17-28(25-43)18-20-30)33-12-8-11-32(22-33)31-10-7-9-29(21-31)23-41-48(44,45)34-13-3-2-4-14-34/h2-22,26-27,37-39,41,43H,23-25H2,1H3/t27-,37+,38+,39+/m0/s1
SMILES: CCC1CCC(NCC1)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(C)Cl
InChI: InChI=1S/C18H33ClN2O5S/c1-4-10-5-6-11(20-8-7-10)17(25)21-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-3/h9-16,18,20,22-24H,4-8H2,1-3H3,(H,21,25)/t9?,10?,11?,12?,13-,14+,15+,16+,18+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)OCC3=CC=CC=C3)O)O)O)CO)O)O
InChI: InChI=1S/C21H29NO12/c1-9(24)22-12-14(26)13(25)11(7-23)32-21(12)34-17-15(27)16(28)19(29)33-18(17)20(30)31-8-10-5-3-2-4-6-10/h2-6,11-19,21,23,25-29H,7-8H2,1H3,(H,22,24)/t11-,12-,13-,14-,15-,16-,17+,18+,19-,21+/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC(=CC(=C8)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C42H31ClF7N3O5/c1-19-13-21(14-20(2)35(19)54)34-29-11-12-30-33(38(57)52(36(30)55)28-16-23(41(45,46)47)15-24(17-28)42(48,49)50)31(29)18-32-37(56)53(51-27-9-7-26(44)8-10-27)39(58)40(32,34)22-3-5-25(43)6-4-22/h3-11,13-17,30-34,51,54H,12,18H2,1-2H3/t30-,31+,32-,33-,34-,40+/m0/s1
SMILES: CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)[C@H]4[C@H]([C@@H]([C@H]([C@H](O4)CO)O)O)O)O
InChI: InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14+,19-,20+,21+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)[C@H]([C@H](C(=O)N[C@@H](CC3CCCCC3)[C@H](C(=O)OC(C)C)O)NC(=O)[C@H](CC4=CC=CC5=CC=CC=C54)CC(=O)N6CCOCC6)O)C7=CC=CC=C7
InChI: InChI=1S/C52H66N4O11S/c1-33(2)66-52(62)46(58)43(30-36-14-7-5-8-15-36)53-50(61)45(47(59)51-56(68(63,64)41-24-22-34(3)23-25-41)35(4)48(67-51)38-17-9-6-10-18-38)54-49(60)40(32-44(57)55-26-28-65-29-27-55)31-39-20-13-19-37-16-11-12-21-42(37)39/h6,9-13,16-25,33,35-36,40,43,45-48,51,58-59H,5,7-8,14-15,26-32H2,1-4H3,(H,53,61)(H,54,60)/t35-,40+,43-,45+,46+,47-,48-,51-/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3CC(=O)[C@H]4[C@@H]3CC(=C[C@H]4OC)OC
InChI: InChI=1S/C27H34O4Si/c1-27(2,3)32(20-12-8-6-9-13-20,21-14-10-7-11-15-21)31-24-18-23(28)26-22(24)16-19(29-4)17-25(26)30-5/h6-15,17,22,24-26H,16,18H2,1-5H3/t22-,24+,25-,26-/m1/s1
SMILES: COC1=CC=CC=C1NC(=O)[C@@H]2[C@@H](NC(=O)NC2=C)C3=CC=CC=C3OC(F)F
InChI: InChI=1S/C20H19F2N3O4/c1-11-16(18(26)24-13-8-4-6-10-15(13)28-2)17(25-20(27)23-11)12-7-3-5-9-14(12)29-19(21)22/h3-10,16-17,19H,1H2,2H3,(H,24,26)(H2,23,25,27)/t16-,17-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@](O2)(C3=NC(CO3)(C)C)C4(CCCCC4)O
InChI: InChI=1S/C20H27NO3/c1-14-7-9-15(10-8-14)16-20(24-16,17-21-18(2,3)13-23-17)19(22)11-5-4-6-12-19/h7-10,16,22H,4-6,11-13H2,1-3H3/t16-,20-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4C)ON2C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C25H21N3O5/c1-15-10-12-17(13-11-15)22-21-23(33-27(22)18-7-5-8-19(14-18)28(31)32)25(30)26(24(21)29)20-9-4-3-6-16(20)2/h3-14,21-23H,1-2H3/t21-,22-,23-/m0/s1
SMILES: C[C@H](C1=CC=C(C=C1)CC(C)C)C(=O)O[C@H]([C@@H]2C[C@@H]3CCN2C[C@@H]3C=C)C4=C5C=C(C=CC5=NC=C4)OC
InChI: InChI=1S/C33H40N2O3/c1-6-24-20-35-16-14-26(24)18-31(35)32(28-13-15-34-30-12-11-27(37-5)19-29(28)30)38-33(36)22(4)25-9-7-23(8-10-25)17-21(2)3/h6-13,15,19,21-22,24,26,31-32H,1,14,16-18,20H2,2-5H3/t22-,24+,26+,31+,32+/m1/s1