EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC=C(C=C1)C(=O)C2=C[C@H]3[C@H]4[C@@H]([C@@H]([NH+]3C=C2)C(=O)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=CC=C6
InChI: InChI=1S/C30H21ClN2O4/c31-21-13-11-19(12-14-21)28(35)26-25-24(29(36)33(30(25)37)22-9-5-2-6-10-22)23-17-20(15-16-32(23)26)27(34)18-7-3-1-4-8-18/h1-17,23-26H/p+1/t23-,24-,25-,26+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](CC(=CC1=O)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=CS3
InChI: InChI=1S/C20H21NO5S2/c1-3-26-20(23)19-16(18-5-4-10-27-18)11-14(12-17(19)22)13-6-8-15(9-7-13)21-28(2,24)25/h4-10,12,16,19,21H,3,11H2,1-2H3/t16-,19+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@](C4)(CCC=C)O)C)C
InChI: InChI=1S/C31H54O/c1-7-8-17-31(32)20-19-29(5)24(21-31)12-13-25-27-15-14-26(23(4)11-9-10-22(2)3)30(27,6)18-16-28(25)29/h7,22-28,32H,1,8-21H2,2-6H3/t23-,24+,25+,26-,27+,28+,29+,30-,31+/m1/s1
SMILES: C[C@H](C(=O)O)O/N=C(\C1=C(SC(=N1)N)Cl)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C(C=C4)NCCNC)C(=O)O
InChI: InChI=1S/C24H27ClN8O7S2/c1-11(22(36)37)40-31-15(14-18(25)42-24(26)30-14)19(34)29-16-20(35)33-17(23(38)39)12(10-41-21(16)33)9-32-7-3-13(4-8-32)28-6-5-27-2/h3-4,7-8,11,16,21,27H,5-6,9-10H2,1-2H3,(H5,26,29,30,34,36,37,38,39)/p+1/b31-15+/t11-,16-,21-/m1/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CCC4=CC(=CC=C4)F)C(=O)CCC=C)C(=O)NCCO)CO
InChI: InChI=1S/C30H35FN2O7/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/h3,5-7,13-16,23,26-27,29,34-35,37H,1,4,8-12,17H2,2H3,(H,32,38)/t23-,26+,27+,29+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2CC=C4[C@@]3(CC[C@@H](C4)OCCCC(=O)O)C)C
InChI: InChI=1S/C31H52O3/c1-21(2)8-6-9-22(3)26-13-14-27-25-12-11-23-20-24(34-19-7-10-29(32)33)15-17-30(23,4)28(25)16-18-31(26,27)5/h11,21-22,24-28H,6-10,12-20H2,1-5H3,(H,32,33)/t22-,24+,25?,26-,27+,28+,30+,31-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)NC3=NC=CC(=N3)C4=CC(=CC=C4)F)N
InChI: InChI=1S/C16H17FN4O2/c17-10-3-1-2-9(6-10)12-4-5-19-16(20-12)21-13-8-23-14-11(18)7-22-15(13)14/h1-6,11,13-15H,7-8,18H2,(H,19,20,21)/t11-,13-,14+,15+/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)CN)CN5C=NC6=CC=CC=C65
InChI: InChI=1S/C33H33N3O3/c1-22-31(19-36-21-35-29-7-2-3-8-30(29)36)38-33(39-32(22)26-11-9-23(20-37)10-12-26)27-15-13-25(14-16-27)28-6-4-5-24(17-28)18-34/h2-17,21-22,31-33,37H,18-20,34H2,1H3/t22-,31+,32+,33+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=O)[C@H]3[C@H](C34C=C[CH+]C(=C4)[N+](=O)[O-])O2.[Tl]
InChI: InChI=1S/C15H10NO4.2C7H8O3S.Tl/c17-13-10-5-1-2-6-11(10)20-14-12(13)15(14)7-3-4-9(8-15)16(18)19;2*1-6-2-4-7(5-3-6)11(8,9)10;/h1-8,12,14H;2*2-5H,1H3,(H,8,9,10);/q+1;;;/t12-,14+,15?;;;/m0.../s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=C(C=C(C=C4)O)Cl)C(=O)N(C3=O)CC5=CC=CS5)[C@@H]6[C@H]1C(=O)N(C6=O)CC7=CC=CS7
InChI: InChI=1S/C30H25ClN2O5S2/c31-23-11-15(34)5-6-19(23)24-18-7-8-20-25(29(37)32(27(20)35)13-16-3-1-9-39-16)21(18)12-22-26(24)30(38)33(28(22)36)14-17-4-2-10-40-17/h1-7,9-11,20-22,24-26,34H,8,12-14H2/t20-,21+,22+,24+,25-,26+/m0/s1
SMILES: CC(=O)[C@@H]1[C@@H](C(=O)N1CC2=CC=CC=C2)N3[C@H](COC3=O)C4=CC=CC=C4
InChI: InChI=1S/C21H20N2O4/c1-14(24)18-19(20(25)22(18)12-15-8-4-2-5-9-15)23-17(13-27-21(23)26)16-10-6-3-7-11-16/h2-11,17-19H,12-13H2,1H3/t17-,18-,19+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](N2C3=CC=CC=C3N=C2NC1=C)C4=CC=C(C=C4)SC
InChI: InChI=1S/C21H21N3O2S/c1-4-26-20(25)18-13(2)22-21-23-16-7-5-6-8-17(16)24(21)19(18)14-9-11-15(27-3)12-10-14/h5-12,18-19H,2,4H2,1,3H3,(H,22,23)/t18-,19+/m1/s1
SMILES: CCOC(=O)N(C)[C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=CC(=C6)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C45H53N3O11/c1-4-23-56-45-41(47(3)44(52)55-5-2)27-39(46-57-29-30-15-17-33(18-16-30)48(53)54)37-25-32(12-6-8-21-49)36(14-7-9-22-50)42(43(37)45)38-26-35(19-20-40(38)59-45)58-34-13-10-11-31(24-34)28-51/h4,10-11,13,15-20,24-26,28,32,36,41-43,49-50H,1,5-9,12,14,21-23,27,29H2,2-3H3/t32-,36+,41-,42+,43+,45+/m0/s1
SMILES: CC(C)N(C[C@@H]1CNC[C@H]1CN(C2CC2)C(=O)CCC(=O)N)C(=O)C3=CC(=C(C=C3)OC)OCCCOC
InChI: InChI=1S/C28H44N4O6/c1-19(2)31(28(35)20-6-9-24(37-4)25(14-20)38-13-5-12-36-3)17-21-15-30-16-22(21)18-32(23-7-8-23)27(34)11-10-26(29)33/h6,9,14,19,21-23,30H,5,7-8,10-13,15-18H2,1-4H3,(H2,29,33)/t21-,22-/m0/s1
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@@H]3[C@@H](C2=O)[C@H](N4[C@@H]3C5=CC=CC=C5C=C4)C(=O)C6=CC(=CC=C6)[N+](=O)[O-]
InChI: InChI=1S/C28H20N4O7/c1-15-9-10-19(32(38)39)14-21(15)30-27(34)22-23(28(30)35)25(26(33)17-6-4-7-18(13-17)31(36)37)29-12-11-16-5-2-3-8-20(16)24(22)29/h2-14,22-25H,1H3/t22-,23-,24-,25+/m1/s1
SMILES: C1[C@H]([C@@H]1C(=O)NNC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3
InChI: InChI=1S/C17H16ClN3O2/c18-12-7-4-8-13(9-12)19-17(23)21-20-16(22)15-10-14(15)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H,20,22)(H2,19,21,23)/t14-,15+/m0/s1
SMILES: CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C
InChI: InChI=1S/C19H26N2O6S/c1-3-28(25,26)16-11-7-5-9-14(16)18(23)27-12-17(22)21-19(24)20-15-10-6-4-8-13(15)2/h5,7,9,11,13,15H,3-4,6,8,10,12H2,1-2H3,(H2,20,21,22,24)/t13-,15+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@@]2(CC3=C1N=C(S3)NC(=O)C4=CC=CN4C)C)[C@H](C)C(=O)N(C)CC#C)O
InChI: InChI=1S/C26H34N4O3S/c1-7-12-30(6)24(33)15(2)17-10-11-26(4)14-19-21(16(3)20(26)22(17)31)27-25(34-19)28-23(32)18-9-8-13-29(18)5/h1,8-9,13,15-17,20,22,31H,10-12,14H2,2-6H3,(H,27,28,32)/t15-,16-,17-,20+,22-,26+/m0/s1
SMILES: CC(C)(C)[C@@H]1[C@H](S(=O)(=O)N1C2CCCCC2)C3=CC=CC=C3
InChI: InChI=1S/C18H27NO2S/c1-18(2,3)17-16(14-10-6-4-7-11-14)22(20,21)19(17)15-12-8-5-9-13-15/h4,6-7,10-11,15-17H,5,8-9,12-13H2,1-3H3/t16-,17+/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1/C(=N\NC(=O)C3=CC=C(C=C3)COC4=CC5=CC=CC=C5C=C4)/C2
InChI: InChI=1S/C25H22N2O2/c28-25(27-26-24-15-21-6-3-7-23(21)24)19-10-8-17(9-11-19)16-29-22-13-12-18-4-1-2-5-20(18)14-22/h1-6,8-14,21,23H,7,15-16H2,(H,27,28)/b26-24-/t21-,23-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)C[C@@H]([Se]2)C3=CC=CC=C3
InChI: InChI=1S/C15H18OSe/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-3,6-7,12,14-15H,4-5,8-10H2/t12-,14-,15+/m0/s1
SMILES: C1C[C@H]2[C@H](N(N=C2/C(=C\C3=CC=CS3)/C1)C(=O)CCl)C4=CC=CS4
InChI: InChI=1S/C18H17ClN2OS2/c19-11-16(22)21-18(15-7-3-9-24-15)14-6-1-4-12(17(14)20-21)10-13-5-2-8-23-13/h2-3,5,7-10,14,18H,1,4,6,11H2/b12-10-/t14-,18+/m1/s1
SMILES: COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)/C=C/C(=O)O
InChI: InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1
SMILES: COC1=CC2=C(C=C1)[C@@H]3[C@@H]([C@@H]([C@H]2C4=CC=CC=C34)O)O
InChI: InChI=1S/C17H16O3/c1-20-9-6-7-12-13(8-9)15-11-5-3-2-4-10(11)14(12)16(18)17(15)19/h2-8,14-19H,1H3/t14-,15+,16+,17-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=NN=C(O2)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C21H29N3O4S/c1-12-7-6-8-16(13(12)2)22-19(25)14(3)29-21-24-23-20(28-21)15-9-10-17(26-4)18(11-15)27-5/h9-14,16H,6-8H2,1-5H3,(H,22,25)/t12-,13+,14+,16-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=CC(=C(C=C6)OC)O
InChI: InChI=1S/C32H23F6NO6/c1-13-7-22(40)21-12-20-18(25(27(21)28(13)42)14-3-6-24(45-2)23(41)8-14)4-5-19-26(20)30(44)39(29(19)43)17-10-15(31(33,34)35)9-16(11-17)32(36,37)38/h3-4,6-11,19-20,25-26,41H,5,12H2,1-2H3/t19-,20+,25-,26-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@@H](OC2=O)C(C)(C)C)C(=C)C/C=C/C3=CC=CC=C3
InChI: InChI=1S/C25H29NO4S/c1-18-14-16-21(17-15-18)31(28,29)26-22(23(25(3,4)5)30-24(26)27)19(2)10-9-13-20-11-7-6-8-12-20/h6-9,11-17,22-23H,2,10H2,1,3-5H3/b13-9+/t22-,23+/m0/s1
SMILES: C[C@@]12CCC3[C@@]([C@H]1CC=C4C2CC[C@@]5([C@H]4[C@@H](C(CC5)(C)C)O)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C[C@H]([C@@H]([C@@]3(C)O)O)O)C
InChI: InChI=1S/C34H54O11/c1-30(2)12-13-34(29(42)45-28-25(39)24(38)23(37)19(15-35)44-28)11-8-17-16(22(34)27(30)41)6-7-20-31(17,3)10-9-21-32(20,4)14-18(36)26(40)33(21,5)43/h6,17-28,35-41,43H,7-15H2,1-5H3/t17?,18-,19-,20+,21?,22-,23-,24+,25-,26+,27+,28+,31+,32-,33+,34-/m1/s1
SMILES: C1C[C@H]2[C@@H]([C@H]([C@@H]1O2)C(=O)NCC3=CC=CC=C3Br)C(=O)[O-]
InChI: InChI=1S/C15H16BrNO4/c16-9-4-2-1-3-8(9)7-17-14(18)12-10-5-6-11(21-10)13(12)15(19)20/h1-4,10-13H,5-7H2,(H,17,18)(H,19,20)/p-1/t10-,11+,12+,13+/m1/s1
SMILES: C[C@@H]1[C@H]2[C@H](N(C(=O)N[C@H]2N(C(=O)N1)C)C)C3=CC=CO3
InChI: InChI=1S/C13H18N4O3/c1-7-9-10(8-5-4-6-20-8)16(2)13(19)15-11(9)17(3)12(18)14-7/h4-7,9-11H,1-3H3,(H,14,18)(H,15,19)/t7-,9+,10-,11+/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)N[C@H]2CCN3[C@@H]2C(=O)N4C[C@H](C[C@H]4C3=O)SCC5=CC=CO5
InChI: InChI=1S/C23H25N3O5S/c1-30-15-6-4-14(5-7-15)21(27)24-18-8-9-25-20(18)23(29)26-12-17(11-19(26)22(25)28)32-13-16-3-2-10-31-16/h2-7,10,17-20H,8-9,11-13H2,1H3,(H,24,27)/t17-,18-,19-,20-/m0/s1
SMILES: C1C[N+]2(CCC1C(=O)[C@]23[C@H](O3)C4=CC=CC=C4F)[O-]
InChI: InChI=1S/C14H14FNO3/c15-11-4-2-1-3-10(11)13-14(19-13)12(17)9-5-7-16(14,18)8-6-9/h1-4,9,13H,5-8H2/t9?,13-,14+,16?/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI: InChI=1S/C15H24N2O16P2/c18-3-5-8(20)10(22)12(24)14(31-5)32-35(28,29)33-34(26,27)4-6-9(21)11(23)13(30-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
SMILES: CCOP(=O)(C(C[C@@H]1[C@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OCC2=CC=CC=C2)(F)F)OCC
InChI: InChI=1S/C21H29F2O9P/c1-5-28-33(26,29-6-2)21(22,23)12-17-18(27-13-16-10-8-7-9-11-16)19(30-14(3)24)20(32-17)31-15(4)25/h7-11,17-20H,5-6,12-13H2,1-4H3/t17-,18-,19-,20-/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3C(=O)C4=CC=CC=C4)Cl)C(=O)O
InChI: InChI=1S/C20H16ClNO3/c21-12-9-15-13-7-4-8-14(13)18(20(24)25)22-17(15)16(10-12)19(23)11-5-2-1-3-6-11/h1-7,9-10,13-14,18,22H,8H2,(H,24,25)/t13-,14+,18-/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4C([C@@H](CC5)C)C)C(=O)O)C)C)C
InChI: InChI=1S/C46H78O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-39(47)50-38-27-28-43(6)36(42(38,4)5)26-29-45(8)37(43)24-23-35-40-34(3)33(2)25-30-46(40,41(48)49)32-31-44(35,45)7/h23,33-34,36-38,40H,9-22,24-32H2,1-8H3,(H,48,49)/t33-,34?,36+,37-,38+,40-,43+,44-,45-,46+/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@@H]([C@@H](C[C@]3([C@H](C[C@@]1(O3)O)OC(=O)C)C)OC(=O)C(C)C)C(=C)C(=O)O2
InChI: InChI=1S/C21H30O8/c1-10(2)18(23)28-15-8-20(6)16(26-13(5)22)9-21(25,29-20)11(3)7-14-17(15)12(4)19(24)27-14/h10-11,14-17,25H,4,7-9H2,1-3,5-6H3/t11-,14+,15+,16-,17-,20-,21-/m0/s1
SMILES: C1[C@@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)O)O)C5=CC=C(C=C5)O
InChI: InChI=1S/C30H28O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-12,22,24,27-33,36-38H,13-14H2/b10-3+/t22-,24+,27+,28+,29+,30-/m1/s1
SMILES: CCN(CC)CC.CC(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CN=[N+]=[N-]
InChI: InChI=1S/C21H29N5O19P2.C6H15N/c1-8(27)39-16-11(6-23-25-22)43-20(18(41-10(3)29)17(16)40-9(2)28)44-47(36,37)45-46(34,35)38-7-12-14(31)15(32)19(42-12)26-5-4-13(30)24-21(26)33;1-4-7(5-2)6-3/h4-5,11-12,14-20,31-32H,6-7H2,1-3H3,(H,34,35)(H,36,37)(H,24,30,33);4-6H2,1-3H3/t11-,12-,14-,15-,16+,17+,18-,19-,20-;/m1./s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(CC6=C(C5(C)C)NN=C6)C)C)C(=O)OC
InChI: InChI=1S/C32H48N2O2/c1-19(2)21-11-14-32(27(35)36-8)16-15-30(6)22(25(21)32)9-10-24-29(5)17-20-18-33-34-26(20)28(3,4)23(29)12-13-31(24,30)7/h18,21-25H,1,9-17H2,2-8H3,(H,33,34)/t21-,22+,23-,24+,25+,29-,30+,31+,32-/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC(COP(=O)(OCCCN)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCCCCCCCCCC
InChI: InChI=1S/C43H86NO19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-35(45)59-37(60-36(46)31-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-66(56,57-33-29-32-44)63-41-38(47)39(48)42(61-64(50,51)52)43(40(41)49)62-65(53,54)55/h37-43,47-49H,3-34,44H2,1-2H3,(H2,50,51,52)(H2,53,54,55)/t38-,39+,40+,41-,42-,43-,66?/m1/s1
SMILES: CC(=C)[C@@]12CC[C@@]3(C(=C1)CC[C@@H]4[C@@]3(CCC[C@]4(C)C(=O)O)C)OO2
InChI: InChI=1S/C20H28O4/c1-13(2)19-10-11-20(24-23-19)14(12-19)6-7-15-17(3,16(21)22)8-5-9-18(15,20)4/h12,15H,1,5-11H2,2-4H3,(H,21,22)/t15-,17-,18-,19+,20-/m0/s1
SMILES: C1CS[C@]2(O1)[C@@]3([C@H]([C@@]3(C(=[NH+]2)N)C#N)C4=CC=C(C=C4)[N+](=O)[O-])C#N
InChI: InChI=1S/C15H11N5O3S/c16-7-13-11(9-1-3-10(4-2-9)20(21)22)14(13,8-17)15(19-12(13)18)23-5-6-24-15/h1-4,11H,5-6H2,(H2,18,19)/p+1/t11-,13+,14+,15+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1C[C@H]([C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)O)O
InChI: InChI=1S/C29H48O4/c1-18(2)8-7-9-19(3)25-17-26(31)29(32)24-11-10-21-16-22(33-20(4)30)12-14-27(21,5)23(24)13-15-28(25,29)6/h18-19,21-22,25-26,31-32H,7-17H2,1-6H3/t19-,21?,22+,25-,26-,27+,28-,29+/m1/s1
SMILES: CC1(CC(=O)N(C(=O)C1)C[C@H](C(C)(C)C)NC(=O)N[C@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)NC(CC4CC4)C(=O)C(=O)N)CCC35CC5)C6(CCCCC6)C)C
InChI: InChI=1S/C40H62N6O7/c1-37(2,3)27(22-45-28(47)19-38(4,5)20-29(45)48)43-36(53)44-32(39(6)13-8-7-9-14-39)35(52)46-21-25-24(12-15-40(25)16-17-40)30(46)34(51)42-26(18-23-10-11-23)31(49)33(41)50/h23-27,30,32H,7-22H2,1-6H3,(H2,41,50)(H,42,51)(H2,43,44,53)/t24-,25-,26?,27+,30-,32+/m0/s1
SMILES: CO[C@H]1[C@H]([C@@H](O[C@@H]1[C@H](C(=O)N)O[C@@H]2[C@H]([C@H](C=C(O2)C(=O)NCC3=CC=CC=C3)O)O)N4C=CC(=O)NC4=O)O
InChI: InChI=1S/C24H28N4O11/c1-36-17-16(32)22(28-8-7-14(30)27-24(28)35)38-18(17)19(20(25)33)39-23-15(31)12(29)9-13(37-23)21(34)26-10-11-5-3-2-4-6-11/h2-9,12,15-19,22-23,29,31-32H,10H2,1H3,(H2,25,33)(H,26,34)(H,27,30,35)/t12-,15-,16+,17-,18-,19+,22+,23+/m0/s1
SMILES: CC(=O)C(=O)[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CC=C4[C@@]3(CCC5(C4)OCCO5)C)C)C
InChI: InChI=1S/C25H34O4/c1-16(26)21(27)24(4)10-8-20-18-6-5-17-15-25(28-13-14-29-25)12-11-22(17,2)19(18)7-9-23(20,24)3/h5,7,18,20H,6,8-15H2,1-4H3/t18-,20+,22+,23+,24-/m1/s1
SMILES: CCOC(=O)[C@]12[C@H]3CCC=C[C@@H]3[C@]1(NC(=O)C2=O)C(=O)OCC
InChI: InChI=1S/C16H19NO6/c1-3-22-13(20)15-9-7-5-6-8-10(9)16(15,14(21)23-4-2)17-12(19)11(15)18/h6,8-10H,3-5,7H2,1-2H3,(H,17,19)/t9-,10-,15+,16-/m0/s1
SMILES: C1CCC2=C(C1)C(=C(C(=N2)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C#N)C4=CC=NC=C4
InChI: InChI=1S/C21H23N3O5S/c22-9-13-16(11-5-7-23-8-6-11)12-3-1-2-4-14(12)24-20(13)30-21-19(28)18(27)17(26)15(10-25)29-21/h5-8,15,17-19,21,25-28H,1-4,10H2/t15-,17-,18+,19-,21+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3C(OC4=CC(=CC(=C4C3=O)O)OC[C@H]5[C@@H]([C@H]([C@H]([C@@H](O5)O)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O
InChI: InChI=1S/C33H42O20/c1-10-19(36)23(40)27(44)32(49-10)48-9-17-21(38)25(42)28(45)33(52-17)53-30-22(39)18-14(35)6-13(47-8-16-20(37)24(41)26(43)31(46)51-16)7-15(18)50-29(30)11-2-4-12(34)5-3-11/h2-7,10,16-17,19-21,23-38,40-46H,8-9H2,1H3/t10-,16-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,29?,30?,31+,32+,33-/m0/s1
SMILES: COC\1=C(C(=O)O/C1=C\OP(=O)(C[C@@H]2C([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(COCCN5C=NC6=NC=NC(=C65)N)O)O)OC
InChI: InChI=1S/C25H30N10O13P2/c1-42-18-12(47-25(37)19(18)43-2)5-45-49(38,39)6-13-17(16(36)24(46-13)35-10-32-14-20(26)28-8-31-23(14)35)48-50(40,41)11-44-4-3-34-9-33-22-15(34)21(27)29-7-30-22/h5,7-10,13,16-17,24,36H,3-4,6,11H2,1-2H3,(H,38,39)(H,40,41)(H2,26,28,31)(H2,27,29,30)/b12-5-/t13-,16-,17?,24-/m1/s1
SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3=CC(=O)O[C@@H]3O)CC(=O)C=C2C)C
InChI: InChI=1S/C20H28O4/c1-12-5-7-20(4)13(2)9-15(21)11-16(20)19(12,3)8-6-14-10-17(22)24-18(14)23/h9-10,12,16,18,23H,5-8,11H2,1-4H3/t12-,16-,18+,19+,20+/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3N4C=C(N=N4)C(=O)OC
InChI: InChI=1S/C18H20N4O5/c1-10-3-5-11(6-4-10)17(23)19-13-8-26-16-14(9-27-15(13)16)22-7-12(20-21-22)18(24)25-2/h3-7,13-16H,8-9H2,1-2H3,(H,19,23)/t13-,14-,15+,16+/m0/s1
SMILES: C1CCC(CC1)[C@@H](C#C[C@H]2[C@@H](C[C@H]3[C@@H]2CC4=C3C=C(C=C4)CC(=O)O)O)O
InChI: InChI=1S/C23H28O4/c24-21(15-4-2-1-3-5-15)9-8-17-19-12-16-7-6-14(11-23(26)27)10-18(16)20(19)13-22(17)25/h6-7,10,15,17,19-22,24-25H,1-5,11-13H2,(H,26,27)/t17-,19-,20-,21-,22-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CC=C3OC
InChI: InChI=1S/C24H22BrN3O5S/c1-3-33-24(31)21-20(16-6-4-5-7-18(16)32-2)17(12-26)23(28-22(21)30)34-13-19(29)27-15-10-8-14(25)9-11-15/h4-11,20-21H,3,13H2,1-2H3,(H,27,29)(H,28,30)/t20-,21+/m0/s1
SMILES: CCCCCCCC(=O)OC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1
InChI: InChI=1S/C25H33NO4/c1-3-4-5-6-7-8-21(28)29-20-12-9-16-15-18-17-10-11-19(27)24-25(17,13-14-26(18)2)22(16)23(20)30-24/h9-12,17-19,24,27H,3-8,13-15H2,1-2H3/t17-,18+,19-,24-,25-/m0/s1
SMILES: CCOC(=O)[C@H]([C@@H]1[C@@H]2[C@H]([C@@H](O1)OC)OC(O2)(C)C)N=[N+]=[N-]
InChI: InChI=1S/C12H19N3O6/c1-5-18-10(16)6(14-15-13)7-8-9(11(17-4)19-7)21-12(2,3)20-8/h6-9,11H,5H2,1-4H3/t6-,7+,8+,9+,11+/m0/s1
SMILES: CCC1=CC2=C(C(=C1)C)C(=O)N([C@H]3[C@H]2CNC3)CC4=CC(=CC=C4)C#N
InChI: InChI=1S/C22H23N3O/c1-3-15-7-14(2)21-18(9-15)19-11-24-12-20(19)25(22(21)26)13-17-6-4-5-16(8-17)10-23/h4-9,19-20,24H,3,11-13H2,1-2H3/t19-,20+/m0/s1
SMILES: CC1=C(SC(=C1C(=O)N)NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)CC3=CC=CC=C3
InChI: InChI=1S/C21H24N2O4S/c1-12-16(11-13-7-3-2-4-8-13)28-20(17(12)18(22)24)23-19(25)14-9-5-6-10-15(14)21(26)27/h2-4,7-8,14-15H,5-6,9-11H2,1H3,(H2,22,24)(H,23,25)(H,26,27)/t14-,15-/m1/s1
SMILES: CCOCN1C=C(C(=O)N(C1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)F
InChI: InChI=1S/C21H27FN2O12/c1-6-31-9-23-7-14(22)19(29)24(21(23)30)20-18(35-13(5)28)17(34-12(4)27)16(33-11(3)26)15(36-20)8-32-10(2)25/h7,15-18,20H,6,8-9H2,1-5H3/t15-,16-,17+,18-,20-/m1/s1
SMILES: C1CC(=O)N(C1=O)C(C(C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Br)Br
InChI: InChI=1S/C15H17Br2N3O8/c16-9(12(17)20-7(22)1-2-8(20)23)5-3-19(15(27)18-13(5)26)14-11(25)10(24)6(4-21)28-14/h3,6,9-12,14,21,24-25H,1-2,4H2,(H,18,26,27)/t6-,9?,10-,11-,12?,14-/m1/s1
SMILES: CCCCCCCCCCCCCC(=O)OC1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OCC6=CC=CC=C6)CCN3C
InChI: InChI=1S/C38H51NO4/c1-3-4-5-6-7-8-9-10-11-12-16-19-34(40)42-33-23-21-30-31-26-29-20-22-32(41-27-28-17-14-13-15-18-28)36-35(29)38(30,37(33)43-36)24-25-39(31)2/h13-15,17-18,20-23,30-31,33,37H,3-12,16,19,24-27H2,1-2H3/t30-,31+,33?,37-,38-/m0/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@H]3CCCC[C@@]3(CC[NH+]2CC(=O)N4CCOCC4)O
InChI: InChI=1S/C22H32N2O4/c1-27-19-8-3-2-6-17(19)21-18-7-4-5-9-22(18,26)10-11-24(21)16-20(25)23-12-14-28-15-13-23/h2-3,6,8,18,21,26H,4-5,7,9-16H2,1H3/p+1/t18-,21+,22+/m1/s1
SMILES: C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H]2OC[C@@H]([C@H]1O)O2)N
InChI: InChI=1S/C9H15NO6/c1-3(8(12)13)15-7-5(10)9-14-2-4(16-9)6(7)11/h3-7,9,11H,2,10H2,1H3,(H,12,13)/t3-,4+,5-,6-,7-,9+/m1/s1
SMILES: C[C@@H]1[C@@H](CC[C@]2(C1CC[C@]3(C2[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C)C)O[C@@H]5C=C[C@@H]([C@H](O5)O)OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C42H64O14/c1-20(2)9-8-10-23(37(49)50)32-25-17-26(45)36-40(5)15-14-27(21(3)24(40)13-16-41(36,6)42(25,7)18-29(32)52-22(4)44)53-31-12-11-28(38(51)56-31)54-39-35(48)34(47)33(46)30(19-43)55-39/h9,11-12,21,24-31,33-36,38-39,43,45-48,51H,8,10,13-19H2,1-7H3,(H,49,50)/b32-23-/t21-,24?,25-,26+,27+,28-,29-,30+,31-,33+,34-,35+,36?,38-,39?,40-,41-,42-/m0/s1
SMILES: CCN1C(=C([C@H](N2C1=C([C@@H]([C@](C2=O)(C(=O)OC)O)C3=CC=CC=C3)C(=O)C)C4=CC=CC=C4)C(=O)OC)C
InChI: InChI=1S/C29H30N2O7/c1-6-30-17(2)21(26(33)37-4)24(20-15-11-8-12-16-20)31-25(30)22(18(3)32)23(19-13-9-7-10-14-19)29(36,27(31)34)28(35)38-5/h7-16,23-24,36H,6H2,1-5H3/t23-,24+,29-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@@H]2C(=O)[C@@H]4[C@H]5C[C@@H]([C@@H]4C3=O)C=C5
InChI: InChI=1S/C16H16O2/c17-15-11-7-1-2-8(5-7)12(11)16(18)14-10-4-3-9(6-10)13(14)15/h1-4,7-14H,5-6H2/t7-,8+,9+,10-,11-,12-,13+,14-/m1/s1
SMILES: C1CC(NC(=O)[C@H]1N)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O
InChI: InChI=1S/C15H21N7O4/c16-7-2-1-6(21-14(7)25)3-8-10(23)11(24)15(26-8)22-5-20-9-12(17)18-4-19-13(9)22/h4-8,10-11,15,23-24H,1-3,16H2,(H,21,25)(H2,17,18,19)/t6?,7-,8+,10+,11+,15+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H]([C@H](CS3=O)N=[N+]=[N-])OCC4=CC=CC=C4
InChI: InChI=1S/C28H33N3O3SSi/c1-28(2,3)36(23-15-9-5-10-16-23,24-17-11-6-12-18-24)34-20-26-27(25(30-31-29)21-35(26)32)33-19-22-13-7-4-8-14-22/h4-18,25-27H,19-21H2,1-3H3/t25-,26+,27-,35?/m0/s1
SMILES: CCCCCCCC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CSSC4=CC=CC=C4[N+](=O)[O-])SSC5=CC=CC=C5[N+](=O)[O-]
InChI: InChI=1S/C30H33N7O6S4/c1-2-3-4-5-6-15-26(38)34-29-28-30(32-18-31-29)35(19-33-28)27-16-25(47-46-24-14-10-8-12-21(24)37(41)42)22(43-27)17-44-45-23-13-9-7-11-20(23)36(39)40/h7-14,18-19,22,25,27H,2-6,15-17H2,1H3,(H,31,32,34,38)/t22-,25+,27-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C=C(C=C2)OC)OC
InChI: InChI=1S/C19H27NO5/c1-12-6-5-7-16(13(12)2)20-18(21)11-25-19(22)15-9-8-14(23-3)10-17(15)24-4/h8-10,12-13,16H,5-7,11H2,1-4H3,(H,20,21)/t12-,13-,16-/m1/s1
SMILES: C1=CC(=CC(=C1)Cl)C2[C@]3([C@@]2(C(=O)NC3=O)C#N)C#N
InChI: InChI=1S/C13H6ClN3O2/c14-8-3-1-2-7(4-8)9-12(5-15)10(18)17-11(19)13(9,12)6-16/h1-4,9H,(H,17,18,19)/t9?,12-,13+
SMILES: CC1=C(C2=C(C=C1)[C@@]3([C@H]4[C@@H]([C@H]([NH2+]3)CCC(=O)N)C(=O)N(C4=O)CC5=CC=CC=C5Cl)C(=O)N2)C
InChI: InChI=1S/C25H25ClN4O4/c1-12-7-8-15-21(13(12)2)28-24(34)25(15)20-19(17(29-25)9-10-18(27)31)22(32)30(23(20)33)11-14-5-3-4-6-16(14)26/h3-8,17,19-20,29H,9-11H2,1-2H3,(H2,27,31)(H,28,34)/p+1/t17-,19-,20+,25-/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C21H22N2O6/c1-11(24)12-4-6-15(7-5-12)22-16(25)10-29-17(26)9-23-20(27)18-13-2-3-14(8-13)19(18)21(23)28/h4-7,13-14,18-19H,2-3,8-10H2,1H3,(H,22,25)/t13-,14+,18-,19-/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](/C=C(/CC/C=C(/CC[C@@]1([C@@H]2C#N)C)\C)\C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H45NOSi/c1-19-11-10-12-20(2)17-24(28-29(8,9)25(4,5)6)22-14-13-21(3)26(7,16-15-19)23(22)18-27/h11,17,21-24H,10,12-16H2,1-9H3/b19-11+,20-17+/t21-,22-,23-,24-,26+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)[NH2+]CC(=O)N(CC2=CC=CC=C2)C(C)C
InChI: InChI=1S/C20H32N2O/c1-15(2)22(14-18-10-6-5-7-11-18)20(23)13-21-19-12-8-9-16(3)17(19)4/h5-7,10-11,15-17,19,21H,8-9,12-14H2,1-4H3/p+1/t16-,17+,19+/m1/s1
SMILES: CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC(=O)N2CCC[C@H]3[C@@H]2CCCC3
InChI: InChI=1S/C21H31N3O2/c1-22-21(26)18-11-9-16(10-12-18)14-23(2)15-20(25)24-13-5-7-17-6-3-4-8-19(17)24/h9-12,17,19H,3-8,13-15H2,1-2H3,(H,22,26)/p+1/t17-,19-/m0/s1
SMILES: C[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)NC2=CC(=CC(=C2)C(=O)[O-])[N+](=O)[O-])O)O)O
InChI: InChI=1S/C13H16N2O8/c1-5-9(16)10(17)11(18)12(23-5)14-7-2-6(13(19)20)3-8(4-7)15(21)22/h2-5,9-12,14,16-18H,1H3,(H,19,20)/p-1/t5-,9-,10-,11-,12+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](NC(=O)N[C@@]2(C(F)(F)F)O)C3=CC=C(C=C3)O
InChI: InChI=1S/C18H15F3N2O4/c19-18(20,21)17(27)13(15(25)11-4-2-1-3-5-11)14(22-16(26)23-17)10-6-8-12(24)9-7-10/h1-9,13-14,24,27H,(H2,22,23,26)/t13-,14+,17-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@@H]([C@]2([C@H](O1)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H42N2O7SSi2/c1-14(24)23-18-17(29-33(10,11)20(5,6)7)21(15(22)13-31(25,26)30-21)16(28-18)12-27-32(8,9)19(2,3)4/h13,16-18H,12,22H2,1-11H3,(H,23,24)/t16-,17+,18+,21-/m1/s1
SMILES: CN1C[C@H]([C@@H](C1)C(=O)C2=CC=C(C=C2)C3CCCCC3)C4=CC(=C(C=C4)OC)Cl
InChI: InChI=1S/C25H30ClNO2/c1-27-15-21(20-12-13-24(29-2)23(26)14-20)22(16-27)25(28)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h8-14,17,21-22H,3-7,15-16H2,1-2H3/t21-,22+/m0/s1
SMILES: C[C@H]1C(=O)CC[C@H]2[C@@]1(CC[C@@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C)C
InChI: InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22-,23+,24+,26+,27+,28-,29+,30-/m0/s1
SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)CC4=C5C=CC6C[C@H](C[C@@H]([C@@]6([C@H]5CC[C@]34C)C)O)O)C)OC1
InChI: InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5-6,15-18,20,22-24,28-29H,7-14H2,1-4H3/t15-,16+,17?,18-,20+,22+,23+,24+,25+,26+,27-/m1/s1
SMILES: C[C@H](CC(C([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]45[C@@]3(CC[C@@H]4C5)C)OC)C)S(=O)(=O)C6=CC=CC=C6)O)COC7CCCCO7
InChI: InChI=1S/C39H60O6S/c1-25(24-45-35-13-9-10-20-44-35)21-33(40)36(46(41,42)28-11-7-6-8-12-28)26(2)30-14-15-31-29-22-34(43-5)39-23-27(39)16-19-38(39,4)32(29)17-18-37(30,31)3/h6-8,11-12,25-27,29-36,40H,9-10,13-24H2,1-5H3/t25-,26+,27-,29+,30-,31+,32+,33?,34-,35?,36?,37-,38-,39+/m1/s1