EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC(=C2C(=O)CBr)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C29H31BrO12/c1-16(31)36-15-24-26(38-17(2)32)27(39-18(3)33)28(40-19(4)34)29(42-24)41-23-12-8-11-22(25(23)21(35)13-30)37-14-20-9-6-5-7-10-20/h5-12,24,26-29H,13-15H2,1-4H3/t24-,26-,27+,28-,29-/m1/s1
SMILES: C1CN2[C@@H]([C@H]3[C@H](N2C1)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)Br
InChI: InChI=1S/C20H17BrN4O4/c21-13-7-5-12(6-8-13)17-16-18(23-10-2-9-22(17)23)20(27)24(19(16)26)14-3-1-4-15(11-14)25(28)29/h1,3-8,11,16-18H,2,9-10H2/t16-,17+,18-/m0/s1
SMILES: C[C@@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=C(C=C3)O)C(=O)N(C2=O)C)C(=O)OC
InChI: InChI=1S/C16H18N2O5/c1-16(15(22)23-3)11-10(13(20)18(2)14(11)21)12(17-16)8-4-6-9(19)7-5-8/h4-7,10-12,17,19H,1-3H3/t10-,11+,12-,16+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)COC2=CC=C(C=C2)Cl
InChI: InChI=1S/C18H23ClN2O5/c1-12-4-2-3-5-15(12)20-18(24)21-16(22)10-26-17(23)11-25-14-8-6-13(19)7-9-14/h6-9,12,15H,2-5,10-11H2,1H3,(H2,20,21,22,24)/t12-,15+/m1/s1
SMILES: CC[C@@H]1[C@@]([C@H]2[C@H](C(=NC(=O)C)[C@@H](CC([C@@H]([C@H](C(=O)C(C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OCC(=O)CO2)C)C)C)(C)O
InChI: InChI=1S/C34H56N2O11/c1-12-25-34(9,42)30-19(4)26(35-22(7)37)17(2)14-33(8,44-16-23(38)15-43-30)29(20(5)27(39)21(6)31(41)46-25)47-32-28(40)24(36(10)11)13-18(3)45-32/h17-21,24-25,28-30,32,40,42H,12-16H2,1-11H3/t17-,18-,19+,20+,21?,24+,25-,28-,29-,30-,32+,33?,34-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2[C@@H]([C@H]3CC[C@@]2(C3(C)C)C)OC(=O)[C@H](C4=CC=CC=C4)O
InChI: InChI=1S/C25H31NO5S/c1-16-10-12-18(13-11-16)32(29,30)26-22-21(19-14-15-25(22,4)24(19,2)3)31-23(28)20(27)17-8-6-5-7-9-17/h5-13,19-22,26-27H,14-15H2,1-4H3/t19-,20+,21-,22-,25+/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)O)NS(=O)(=O)CC2=CC=CC=C2)O)O
InChI: InChI=1S/C12H17NO6S/c14-9-6-19-12(16)10(11(9)15)13-20(17,18)7-8-4-2-1-3-5-8/h1-5,9-16H,6-7H2/t9-,10-,11+,12-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@H]2C[C@H](N([C@H]2C1)C(=O)OCC3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C24H37NO5Si/c1-24(2,3)31(5,6)30-19-13-12-18-14-21(22(26)28-4)25(20(18)15-19)23(27)29-16-17-10-8-7-9-11-17/h7-11,18-21H,12-16H2,1-6H3/t18-,19+,20-,21-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC(F)F)OC
InChI: InChI=1S/C18H25F2N3O3S/c1-10-5-4-6-13(11(10)2)21-18(27)23-22-16(24)12-7-8-14(26-17(19)20)15(9-12)25-3/h7-11,13,17H,4-6H2,1-3H3,(H,22,24)(H2,21,23,27)/t10-,11+,13-/m0/s1
SMILES: COCC(=O)N([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=C(C=C(C=C2I)C=O)OC)C(=O)NCCO)C3CCCCC3
InChI: InChI=1S/C26H35IN2O8/c1-35-15-23(32)29(18-6-4-3-5-7-18)20-12-17(26(34)28-8-9-30)13-21(24(20)33)37-25-19(27)10-16(14-31)11-22(25)36-2/h10-11,13-14,18,20-21,24,30,33H,3-9,12,15H2,1-2H3,(H,28,34)/t20-,21+,24+/m1/s1
SMILES: C[C@H]1CC[C@@H]2[C@@]([C@]1(CC/C(=C/CO)/C)O)(CCCC2(C)C)C
InChI: InChI=1S/C20H36O2/c1-15(10-14-21)9-13-20(22)16(2)7-8-17-18(3,4)11-6-12-19(17,20)5/h10,16-17,21-22H,6-9,11-14H2,1-5H3/b15-10+/t16-,17-,19-,20+/m0/s1
SMILES: C=CCOCCN1C(=O)[C@H]2[C@@H](C1=O)C3(C4=CC=CC=C4C2C5=CC=CC=C53)[N+](=O)[O-]
InChI: InChI=1S/C23H20N2O5/c1-2-12-30-13-11-24-21(26)19-18-14-7-3-5-9-16(14)23(25(28)29,20(19)22(24)27)17-10-6-4-8-15(17)18/h2-10,18-20H,1,11-13H2/t18?,19-,20+,23?/m1/s1
SMILES: C1[C@]23C=C[C@H](O2)[C@@H]([C@@H]3C(=O)N1C4=NC5=CC=CC=C5S4)C(=O)O
InChI: InChI=1S/C16H12N2O4S/c19-13-12-11(14(20)21)9-5-6-16(12,22-9)7-18(13)15-17-8-3-1-2-4-10(8)23-15/h1-6,9,11-12H,7H2,(H,20,21)/t9-,11-,12+,16-/m0/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)OCC3=CC=CC=C3)N)O)O[C@@H](O1)C4=CC=CC=C4
InChI: InChI=1S/C20H23NO5/c21-16-17(22)18-15(12-24-19(26-18)14-9-5-2-6-10-14)25-20(16)23-11-13-7-3-1-4-8-13/h1-10,15-20,22H,11-12,21H2/t15-,16+,17-,18-,19-,20+/m1/s1
SMILES: C[C@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OC3CCCC3)C(=O)COCC4=CC=CC=C4)C)O
InChI: InChI=1S/C28H37NO5/c1-20(30)28(2)19-29(27(31)18-33-17-21-9-5-4-6-10-21)16-24(28)22-13-14-25(32-3)26(15-22)34-23-11-7-8-12-23/h4-6,9-10,13-15,20,23-24,30H,7-8,11-12,16-19H2,1-3H3/t20-,24+,28+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)NCC(=O)NC2=CC(=C(C=C2)F)F
InChI: InChI=1S/C16H21F2N3OS/c1-10-4-2-3-5-14(10)21-16(23)19-9-15(22)20-11-6-7-12(17)13(18)8-11/h6-8,10,14H,2-5,9H2,1H3,(H,20,22)(H2,19,21,23)/t10-,14+/m1/s1
SMILES: CC(C)C[C@@H]1[C@H](CCCCCOC2=CC=C(C[C@H](NC1=O)C(=O)C3=CC4=CC=CC=C4N3)C=C2)C(=O)NO
InChI: InChI=1S/C30H37N3O5/c1-19(2)16-24-23(30(36)33-37)9-4-3-7-15-38-22-13-11-20(12-14-22)17-26(32-29(24)35)28(34)27-18-21-8-5-6-10-25(21)31-27/h5-6,8,10-14,18-19,23-24,26,31,37H,3-4,7,9,15-17H2,1-2H3,(H,32,35)(H,33,36)/t23-,24+,26-/m0/s1
SMILES: CC1=C2C[C@H]3[C@@H](C[C@]2(CCC1)C)OC(=O)[C@@H]3C[NH2+]CC4=CN=CC=C4
InChI: InChI=1S/C21H28N2O2/c1-14-5-3-7-21(2)10-19-16(9-18(14)21)17(20(24)25-19)13-23-12-15-6-4-8-22-11-15/h4,6,8,11,16-17,19,23H,3,5,7,9-10,12-13H2,1-2H3/p+1/t16-,17-,19-,21-/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C5=CN=C(S5)SC6=CC=CC=C6
InChI: InChI=1S/C29H23N3O3S3/c30-23-26(33)32-24(28(34)35-25(18-10-4-1-5-11-18)19-12-6-2-7-13-19)21(17-36-27(23)32)22-16-31-29(38-22)37-20-14-8-3-9-15-20/h1-16,23,25,27H,17,30H2/t23-,27-/m1/s1
SMILES: C1[C@H]([C@H]1C(=O)NC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI: InChI=1S/C15H13N3O3/c19-15(13-8-12(13)10-4-2-1-3-5-10)17-14-7-6-11(9-16-14)18(20)21/h1-7,9,12-13H,8H2,(H,16,17,19)/t12-,13-/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)CNC(=O)C)CN4CCC[C@H]4COC
InChI: InChI=1S/C28H38N2O5/c1-19-26(16-30-14-4-5-25(30)18-33-3)34-28(24-12-6-21(7-13-24)15-29-20(2)32)35-27(19)23-10-8-22(17-31)9-11-23/h6-13,19,25-28,31H,4-5,14-18H2,1-3H3,(H,29,32)/t19-,25-,26+,27+,28+/m0/s1
SMILES: CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O
InChI: InChI=1S/C16H20N2O6S/c1-10(19)18-25(23,24)12-8-6-11(7-9-12)17-15(20)13-4-2-3-5-14(13)16(21)22/h6-9,13-14H,2-5H2,1H3,(H,17,20)(H,18,19)(H,21,22)/t13-,14+/m1/s1
SMILES: C[C@@H]1[C@@H]([NH2+][C@@H](C[C@]1(CC=C)O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C
InChI: InChI=1S/C23H29NO/c1-5-14-23(25)15-21(19-10-6-16(2)7-11-19)24-22(18(23)4)20-12-8-17(3)9-13-20/h5-13,18,21-22,24-25H,1,14-15H2,2-4H3/p+1/t18-,21+,22-,23+/m1/s1
SMILES: COC1=C(C(=CC(=C1)[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)C(=O)N)I)O
InChI: InChI=1S/C34H27ClFIN4O7/c1-48-25-13-15(12-24(37)28(25)42)27-20-10-11-21-26(31(45)40(29(21)43)33(38)47)22(20)14-23-30(44)41(39-19-8-6-18(36)7-9-19)32(46)34(23,27)16-2-4-17(35)5-3-16/h2-10,12-13,21-23,26-27,39,42H,11,14H2,1H3,(H2,38,47)/t21-,22+,23-,26-,27-,34+/m0/s1
SMILES: CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCC/C=C/C(=O)O)O)O
InChI: InChI=1S/C21H34O5/c1-3-4-8-15(2)13-16(22)11-12-18-17(19(23)14-20(18)24)9-6-5-7-10-21(25)26/h7,10-12,15-18,20,22,24H,3-6,8-9,13-14H2,1-2H3,(H,25,26)/b10-7+,12-11+/t15-,16+,17+,18+,20+/m0/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4C)C5=CC=CO5
InChI: InChI=1S/C25H22N2O6/c1-3-31-25(30)16-10-12-17(13-11-16)26-23(28)20-21(19-9-6-14-32-19)27(33-22(20)24(26)29)18-8-5-4-7-15(18)2/h4-14,20-22H,3H2,1-2H3/t20-,21-,22+/m1/s1
SMILES: C1[C@@H]([C@H](C(=CC1=O)O)N2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C14H11Cl2N3O2/c15-8-1-2-10(12(16)3-8)11-4-9(20)5-13(21)14(11)19-7-17-6-18-19/h1-3,5-7,11,14,21H,4H2/t11-,14-/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)OCC6=CC=CC=C6)O)C(=O)N(C4=O)C7=CC=C(C=C7)Cl)C(=O)N(C2=O)C8=CC=CC=C8
InChI: InChI=1S/C40H33ClN2O6/c1-40-32(37(46)43(39(40)48)25-10-6-3-7-11-25)21-31-28(18-19-30-34(31)38(47)42(36(30)45)26-14-12-24(41)13-15-26)35(40)29-17-16-27(20-33(29)44)49-22-23-8-4-2-5-9-23/h2-18,20,30-32,34-35,44H,19,21-22H2,1H3/t30-,31+,32-,34-,35+,40+/m0/s1
SMILES: CC(C)[NH+]1CC=C2[C@@H](C1)[C@@H]([C@@H](C(=N)C2(C#N)C#N)C#N)C3=CC=CC=C3Cl
InChI: InChI=1S/C21H20ClN5/c1-13(2)27-8-7-17-16(10-27)19(14-5-3-4-6-18(14)22)15(9-23)20(26)21(17,11-24)12-25/h3-7,13,15-16,19,26H,8,10H2,1-2H3/p+1/t15-,16+,19+/m0/s1
SMILES: CC1=C[C@@H]2[C@@H]([C@@H](CC(=CCC1)C)O)C(=C)C(=O)O2
InChI: InChI=1S/C15H20O3/c1-9-5-4-6-10(2)8-13-14(12(16)7-9)11(3)15(17)18-13/h5,8,12-14,16H,3-4,6-7H2,1-2H3/t12-,13-,14-/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC=CC=C8OCCO)C(=O)N(C7=O)C9=CC(=C(C=C9)C(=O)O)O)C
InChI: InChI=1S/C43H37ClN4O9S/c1-20-27-16-21(44)8-13-33(27)58-37(20)30-19-34(46(3)45-30)48-39(52)29-18-28-23(36(43(29,2)42(48)56)25-6-4-5-7-32(25)57-15-14-49)11-12-26-35(28)40(53)47(38(26)51)22-9-10-24(41(54)55)31(50)17-22/h4-11,13,16-17,19,26,28-29,35-36,49-50H,12,14-15,18H2,1-3H3,(H,54,55)/t26-,28+,29-,35-,36+,43+/m0/s1
SMILES: CCCN1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC(=C3)OC)OC
InChI: InChI=1S/C23H25N5O2/c1-4-6-28-7-5-18-19(11-24)22(27)23(13-25,14-26)21(20(18)12-28)15-8-16(29-2)10-17(9-15)30-3/h5,8-10,20-21H,4,6-7,12,27H2,1-3H3/t20-,21+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)Cl
InChI: InChI=1S/C21H16ClNO3/c22-14-3-7-16(8-4-14)26-17-9-5-15(6-10-17)23-20(24)18-12-1-2-13(11-12)19(18)21(23)25/h1-10,12-13,18-19H,11H2/t12-,13+,18-,19+
SMILES: CCCCCCCCCCCCCCO[C@@]1([C@@H]([C@H](O[C@H]([C@@]1(O)OCCCCCCCCCCCCCC)OCCC)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C43H84O13/c1-4-7-9-11-13-15-17-19-21-23-25-27-30-53-42(49)39(48)35(33-52-40-38(47)37(46)36(45)34(32-44)55-40)56-41(51-29-6-3)43(42,50)54-31-28-26-24-22-20-18-16-14-12-10-8-5-2/h34-41,44-50H,4-33H2,1-3H3/t34-,35-,36+,37+,38-,39-,40-,41-,42-,43-/m1/s1
SMILES: CC1([C@H]([C@H]1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C=C(Cl)Cl)C
InChI: InChI=1S/C18H21Cl2NO3S/c1-18(2)10(8-12(19)20)14(18)15(22)21-16-13(17(23)24-3)9-6-4-5-7-11(9)25-16/h8,10,14H,4-7H2,1-3H3,(H,21,22)/t10-,14-/m0/s1
SMILES: CC(CCC1C(O1)(C)C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4C3C(=O)C=C5[C@@]4(CC[C@@H](C5)O)C)C
InChI: InChI=1S/C27H42O3/c1-16(6-9-23-25(2,3)30-23)19-7-8-20-24-21(11-13-27(19,20)5)26(4)12-10-18(28)14-17(26)15-22(24)29/h15-16,18-21,23-24,28H,6-14H2,1-5H3/t16?,18-,19+,20-,21-,23?,24?,26-,27+/m0/s1
SMILES: COC1=CC=CC2=C1NC3=C2CCN4[C@H]3[C@]5(CCO[C@H]5CC4)CO
InChI: InChI=1S/C19H24N2O3/c1-23-14-4-2-3-12-13-5-8-21-9-6-15-19(11-22,7-10-24-15)18(21)17(13)20-16(12)14/h2-4,15,18,20,22H,5-11H2,1H3/t15-,18+,19+/m0/s1
SMILES: C[C@H]\1[C@@H]([NH2+][C@@H](C/C1=N/O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C18H18N4O5/c1-11-16(20-23)10-17(12-2-6-14(7-3-12)21(24)25)19-18(11)13-4-8-15(9-5-13)22(26)27/h2-9,11,17-19,23H,10H2,1H3/p+1/b20-16-/t11-,17+,18-/m1/s1
SMILES: C1[C@]23C=C[C@H](O2)[C@@H]([C@@H]3C(=O)N1C4=CN=CC=C4)C(=O)[O-]
InChI: InChI=1S/C14H12N2O4/c17-12-11-10(13(18)19)9-3-4-14(11,20-9)7-16(12)8-2-1-5-15-6-8/h1-6,9-11H,7H2,(H,18,19)/p-1/t9-,10-,11+,14-/m0/s1
SMILES: C1=CC=C2[C@@H]([C@H](C=CC2=C1)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O
InChI: InChI=1S/C20H25N3O7S/c21-13(20(29)30)6-8-16(24)23-14(19(28)22-9-17(25)26)10-31-15-7-5-11-3-1-2-4-12(11)18(15)27/h1-5,7,13-15,18,27H,6,8-10,21H2,(H,22,28)(H,23,24)(H,25,26)(H,29,30)/t13-,14-,15-,18-/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)C[C@@H]2COC(=O)[C@H]2CC3=C(C=C(C=C3C)C)C)C
InChI: InChI=1S/C24H30O2/c1-14-7-16(3)21(17(4)8-14)11-20-13-26-24(25)23(20)12-22-18(5)9-15(2)10-19(22)6/h7-10,20,23H,11-13H2,1-6H3/t20-,23+/m1/s1
SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H]([C@@H]31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)OC)OC(=O)CCl)COC
InChI: InChI=1S/C26H40ClNO7/c1-5-28-11-24(12-32-2)7-6-16(35-17(29)10-27)26-14-8-13-15(33-3)9-25(31,18(14)20(13)30)19(23(26)28)21(34-4)22(24)26/h13-16,18-23,30-31H,5-12H2,1-4H3/t13-,14-,15+,16+,18-,19+,20+,21+,22-,23+,24+,25-,26+/m1/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)CNC(=O)[C@@H]5CCCN5C(=O)C(F)(F)F)CSC6=NC=CC=N6
InChI: InChI=1S/C37H37F3N4O5S/c1-23-31(22-50-36-41-15-5-16-42-36)48-34(49-32(23)26-13-11-24(21-45)12-14-26)29-9-3-8-28(19-29)27-7-2-6-25(18-27)20-43-33(46)30-10-4-17-44(30)35(47)37(38,39)40/h2-3,5-9,11-16,18-19,23,30-32,34,45H,4,10,17,20-22H2,1H3,(H,43,46)/t23-,30+,31+,32+,34+/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O)O
InChI: InChI=1S/C10H16N2O13P2/c13-5-1-2-12(10(17)11-5)9-8(16)7(15)6(14)4(24-9)3-23-27(21,22)25-26(18,19)20/h1-2,4,6-9,14-16H,3H2,(H,21,22)(H,11,13,17)(H2,18,19,20)/t4-,6+,7+,8-,9-/m1/s1
SMILES: C1=CC=C2C3[C@@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CCOC(=O)C6=C(C=C(C=C6)Cl)Cl
InChI: InChI=1S/C27H19Cl2NO4/c28-14-9-10-19(20(29)13-14)27(33)34-12-11-30-25(31)23-21-15-5-1-2-6-16(15)22(24(23)26(30)32)18-8-4-3-7-17(18)21/h1-10,13,21-24H,11-12H2/t21?,22?,23-,24+
SMILES: CC1(OC[C@H](O1)[C@@H]2[C@H]([C@@H]3[C@H](O2)OC(O3)(C)C)O)C
InChI: InChI=1S/C12H20O6/c1-11(2)14-5-6(16-11)8-7(13)9-10(15-8)18-12(3,4)17-9/h6-10,13H,5H2,1-4H3/t6-,7+,8+,9+,10+/m0/s1
SMILES: CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=C)C4=CC(=O)CC[C@]34C)C)C
InChI: InChI=1S/C23H32O3/c1-14-12-17-18(21(3)9-6-16(25)13-20(14)21)7-10-22(4)19(17)8-11-23(22,5)26-15(2)24/h13,17-19H,1,6-12H2,2-5H3/t17-,18+,19+,21-,22+,23+/m1/s1
SMILES: CCCCC(C(=O)C(=O)NCC=C)NC(=O)[C@@H]1[C@H]2CCC3([C@H]2CN1C(=O)[C@H](C4CCCCC4)NC(=O)N[C@H](CN5C(=O)CC(CC5=O)(C)C)C(C)(C)C)CC3
InChI: InChI=1S/C42H66N6O7/c1-8-10-16-29(35(51)37(53)43-21-9-2)44-36(52)34-27-17-18-42(19-20-42)28(27)24-48(34)38(54)33(26-14-12-11-13-15-26)46-39(55)45-30(40(3,4)5)25-47-31(49)22-41(6,7)23-32(47)50/h9,26-30,33-34H,2,8,10-25H2,1,3-7H3,(H,43,53)(H,44,52)(H2,45,46,55)/t27-,28-,29?,30+,33-,34-/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)OCCO)Cl)CBr)Cl)[C@@H]5[C@H]1C(=O)NC5=O
InChI: InChI=1S/C23H21BrCl2N2O6/c24-10-28-20(32)22(25)9-15-13(5-6-14-16(15)19(31)27-18(14)30)17(23(22,26)21(28)33)11-1-3-12(4-2-11)34-8-7-29/h1-5,14-17,29H,6-10H2,(H,27,30,31)/t14-,15+,16-,17-,22+,23-/m0/s1
SMILES: C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@]4([C@]2(C(=O)O4)SS[C@@]56C(=O)O[C@@]5(C[C@@H]7[C@@]6(C[C@@H]([C@]8([C@H]7CCC9=CC(=O)C=C[C@@]98C)F)O)C)C)C)CCC1=CC(=O)C=C[C@@]13C)F)O
InChI: InChI=1S/C42H48F2O8S2/c1-33-13-11-23(45)15-21(33)7-9-25-27-17-37(5)41(31(49)51-37,35(27,3)19-29(47)39(25,33)43)53-54-42-32(50)52-38(42,6)18-28-26-10-8-22-16-24(46)12-14-34(22,2)40(26,44)30(48)20-36(28,42)4/h11-16,25-30,47-48H,7-10,17-20H2,1-6H3/t25-,26-,27-,28-,29-,30-,33-,34-,35-,36-,37+,38+,39-,40-,41+,42+/m0/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O1)O)CCCCCN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C
InChI: InChI=1S/C43H55NO7SSi/c1-42(2,3)53(35-25-15-8-16-26-35,36-27-17-9-18-28-36)48-32-38-40-41(51-43(4,5)50-40)39(45)37(49-38)29-19-10-20-30-44(31-33-21-11-6-12-22-33)52(46,47)34-23-13-7-14-24-34/h6-9,11-18,21-28,37-41,45H,10,19-20,29-32H2,1-5H3/t37-,38+,39-,40-,41+/m0/s1
SMILES: CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC.C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F
InChI: InChI=1S/C22H24BrFN4O2.C9H11F2N3O4/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24;10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27);1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t;4-,6-,7-/m.1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)N4C=NN=C4
InChI: InChI=1S/C11H10N4O2/c16-10-8-6-1-2-7(3-6)9(8)11(17)15(10)14-4-12-13-5-14/h1-2,4-9H,3H2/t6-,7+,8-,9-/m0/s1
SMILES: C1CCN(CC1)C(=O)C2=C(C=C(C=C2)NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])Cl
InChI: InChI=1S/C20H23ClN2O4/c21-17-12-13(8-9-16(17)19(25)23-10-4-1-5-11-23)22-18(24)14-6-2-3-7-15(14)20(26)27/h2-3,8-9,12,14-15H,1,4-7,10-11H2,(H,22,24)(H,26,27)/p-1/t14-,15-/m1/s1
SMILES: CCCC[C@]1(CS(=O)(=O)C2=C(C=C(C=C2)N)[C@@H]([C@@H]1O)C3=CC=CC=C3)CC
InChI: InChI=1S/C22H29NO3S/c1-3-5-13-22(4-2)15-27(25,26)19-12-11-17(23)14-18(19)20(21(22)24)16-9-7-6-8-10-16/h6-12,14,20-21,24H,3-5,13,15,23H2,1-2H3/t20-,21-,22-/m0/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C24H19ClN2O3/c25-18-11-7-10-17(14-18)21-20-22(30-27(21)19-12-5-2-6-13-19)24(29)26(23(20)28)15-16-8-3-1-4-9-16/h1-14,20-22H,15H2/t20-,21-,22+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C
InChI: InChI=1S/C19H27N3O6S/c1-13-6-4-5-7-16(13)20-19(25)21-17(23)12-28-18(24)14-8-10-15(11-9-14)29(26,27)22(2)3/h8-11,13,16H,4-7,12H2,1-3H3,(H2,20,21,23,25)/t13-,16+/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2CC(=O)OC3=C(C4=CC=CC=C4C=C3)CN5CCOCC5
InChI: InChI=1S/C24H29NO3/c26-24(15-20-14-17-5-6-19(20)13-17)28-23-8-7-18-3-1-2-4-21(18)22(23)16-25-9-11-27-12-10-25/h1-4,7-8,17,19-20H,5-6,9-16H2/t17-,19-,20+/m0/s1
SMILES: C[C@H]1CN([C@@H](C[C@@]12C(=O)NC(=O)N2)C3=CC=CC=C3)C
InChI: InChI=1S/C15H19N3O2/c1-10-9-18(2)12(11-6-4-3-5-7-11)8-15(10)13(19)16-14(20)17-15/h3-7,10,12H,8-9H2,1-2H3,(H2,16,17,19,20)/t10-,12-,15-/m0/s1
SMILES: C1C[C@H]2C[C@H]1C[C@H]2C(=O)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O
InChI: InChI=1S/C22H19NO3/c24-20-14-4-1-2-5-15(14)21(25)19-16(20)6-3-7-18(19)23-22(26)17-11-12-8-9-13(17)10-12/h1-7,12-13,17H,8-11H2,(H,23,26)/t12-,13-,17+/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CCCC(=O)NC3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C22H22N2O3/c25-20(23-19-12-5-8-15-7-1-2-9-16(15)19)13-6-14-24-21(26)17-10-3-4-11-18(17)22(24)27/h1-5,7-9,12,17-18H,6,10-11,13-14H2,(H,23,25)/t17-,18-/m1/s1
SMILES: C[C@H]1[C@H](C=C[C@H](O1)P(=O)(O)O)N2C=CC(=NC2=O)N
InChI: InChI=1S/C10H14N3O5P/c1-6-7(2-3-9(18-6)19(15,16)17)13-5-4-8(11)12-10(13)14/h2-7,9H,1H3,(H2,11,12,14)(H2,15,16,17)/t6-,7-,9+/m0/s1
SMILES: CCC1=CC=C(C=C1)CC2=C(C=NC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](S3)CO)O)O)O
InChI: InChI=1S/C20H25NO5S/c1-2-12-3-5-13(6-4-12)9-14-7-8-21-10-15(14)26-20-19(25)18(24)17(23)16(11-22)27-20/h3-8,10,16-20,22-25H,2,9,11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
SMILES: CON=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)C=O)CCCCO)CCCCO)OCC=C)N(CC6=CC=C(C=C6)F)C(=O)C7CC7
InChI: InChI=1S/C46H53FN2O8/c1-3-23-55-46-42(49(45(53)32-15-16-32)28-30-13-17-34(47)18-14-30)27-40(48-54-2)38-25-33(10-4-6-21-50)37(12-5-7-22-51)43(44(38)46)39-26-36(19-20-41(39)57-46)56-35-11-8-9-31(24-35)29-52/h3,8-9,11,13-14,17-20,24-26,29,32-33,37,42-44,50-51H,1,4-7,10,12,15-16,21-23,27-28H2,2H3/t33-,37+,42-,43+,44+,46+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@@H](CC[C@]34C)O)C
InChI: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,21-25,28H,6-16H2,1-5H3/t19-,21-,22+,23-,24+,25+,26+,27-/m1/s1
SMILES: CC(C)N(CCC1=CC=CC=C1)C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OC(C)(C)C)NC(=O)C
InChI: InChI=1S/C38H45N3O7/c1-25(2)41(23-22-27-16-10-7-11-17-27)35(43)34-32(39-26(3)42)30(40-37(45)48-38(4,5)6)24-31(46-34)36(44)47-33(28-18-12-8-13-19-28)29-20-14-9-15-21-29/h7-21,24-25,30,32-34H,22-23H2,1-6H3,(H,39,42)(H,40,45)/t30-,32+,34+/m0/s1
SMILES: CC(C)[C@@H]([13C](=O)N1[C@H]2C[C@@H]3CC[C@]2(C3(C)C)CS1(=O)=O)[15NH2]
InChI: InChI=1S/C15H26N2O3S/c1-9(2)12(16)13(18)17-11-7-10-5-6-15(11,14(10,3)4)8-21(17,19)20/h9-12H,5-8,16H2,1-4H3/t10-,11-,12-,15-/m0/s1/i13+1,16+1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4=CC=C(C=C4)S(=O)(=O)N)CCC5=C3C=CC(=C5)O
InChI: InChI=1S/C25H29NO5S/c1-25-13-12-20-19-9-5-17(27)14-16(19)4-8-21(20)22(25)10-11-23(25)31-24(28)15-2-6-18(7-3-15)32(26,29)30/h2-3,5-7,9,14,20-23,27H,4,8,10-13H2,1H3,(H2,26,29,30)/t20-,21-,22+,23+,25+/m1/s1
SMILES: CC(C)OC(=O)[C@H]1[C@@H]2[C@H]([C@H](N1)C3=CC=CC=C3)C(=O)N(C2=O)C4=CC=CC=C4
InChI: InChI=1S/C22H22N2O4/c1-13(2)28-22(27)19-17-16(18(23-19)14-9-5-3-6-10-14)20(25)24(21(17)26)15-11-7-4-8-12-15/h3-13,16-19,23H,1-2H3/t16-,17+,18-,19-/m1/s1
SMILES: CCC(=O)O[C@H]1[C@@H](CC2[C@]([C@H](C[C@@H]([C@]2([C@]13CO3)COC(=O)C)OC(=O)C)C)(C)C4CC5CCOC5O4)O
InChI: InChI=1S/C27H40O10/c1-6-22(31)37-23-18(30)11-19-25(5,20-10-17-7-8-32-24(17)36-20)14(2)9-21(35-16(4)29)26(19,12-33-15(3)28)27(23)13-34-27/h14,17-21,23-24,30H,6-13H2,1-5H3/t14-,17?,18+,19?,20?,21-,23-,24?,25+,26-,27-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COC(=O)CN)OCC3=C(C(=C(S3)Br)Br)Br.Cl
InChI: InChI=1S/C16H15Br3FN3O6S.ClH/c17-12-9(30-14(19)13(12)18)5-27-7-1-10(29-8(7)4-28-11(24)2-21)23-3-6(20)15(25)22-16(23)26;/h3,7-8,10H,1-2,4-5,21H2,(H,22,25,26);1H/t7-,8+,10+;/m0./s1
SMILES: CCCC(=O)NC1=CC2=C(C=C1)N3[C@@H]4C25CCN6[C@H]5C[C@@H]7[C@H]4[C@H](CC3=O)OCC=C7C6
InChI: InChI=1S/C25H29N3O3/c1-2-3-21(29)26-15-4-5-18-17(10-15)25-7-8-27-13-14-6-9-31-19-12-22(30)28(18)24(25)23(19)16(14)11-20(25)27/h4-6,10,16,19-20,23-24H,2-3,7-9,11-13H2,1H3,(H,26,29)/t16-,19-,20-,23-,24-,25?/m0/s1
SMILES: CC(=C)CO[C@@H]1C=C[C@@H]([C@H](O1)CO[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C16H30O4Si/c1-12(2)10-18-15-9-8-13(17)14(20-15)11-19-21(6,7)16(3,4)5/h8-9,13-15,17H,1,10-11H2,2-7H3/t13-,14+,15-/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@H]4C5=COC(=O)C=C5)O)C)O
InChI: InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18+,19+,20-,22+,23-,24+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCC(C(=O)O)N)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H25NO12/c1-7(19)25-6-12-13(27-8(2)20)14(28-9(3)21)15(29-10(4)22)17(30-12)26-5-11(18)16(23)24/h11-15,17H,5-6,18H2,1-4H3,(H,23,24)/t11?,12-,13+,14+,15-,17-/m1/s1
SMILES: CC1=C2[C@H]3[C@H](C[C@@H]3C(C)(C)O)[C@@H](CC2=CC=C1)C#N
InChI: InChI=1S/C17H21NO/c1-10-5-4-6-11-7-12(9-18)13-8-14(17(2,3)19)16(13)15(10)11/h4-6,12-14,16,19H,7-8H2,1-3H3/t12-,13+,14-,16-/m0/s1
SMILES: CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-]
InChI: InChI=1S/C19H25NO3/c1-10(2)14-6-4-5-11(3)17(14)20-18(21)15-12-7-8-13(9-12)16(15)19(22)23/h4-6,10,12-13,15-16H,7-9H2,1-3H3,(H,20,21)(H,22,23)/p-1/t12-,13+,15+,16+/m1/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H](C2=O)CC[C@@H](C3=CC=C(C=C3)F)O)C4=C(C=C(C=C4)C5=CC(=CC=C5)[C@H](C6[C@H]([C@@H]([C@H](C(O6)O)O)O)O)O)O
InChI: InChI=1S/C36H36FNO9/c37-23-12-9-19(10-13-23)27(39)16-15-26-29(38(35(26)45)24-7-2-1-3-8-24)25-14-11-21(18-28(25)40)20-5-4-6-22(17-20)30(41)34-32(43)31(42)33(44)36(46)47-34/h1-14,17-18,26-27,29-34,36,39-44,46H,15-16H2/t26-,27+,29-,30-,31+,32+,33-,34?,36?/m1/s1
SMILES: C1=CC=C2C(=C1)[C@@H]3[C@@H]4[C@@H]([C@@H]3C(=O)O2)C(=O)OC5=CC=CC=C45
InChI: InChI=1S/C18H12O4/c19-17-15-13(9-5-1-3-7-11(9)21-17)14-10-6-2-4-8-12(10)22-18(20)16(14)15/h1-8,13-16H/t13-,14-,15-,16+/m1/s1
SMILES: C[C@H]1C[C@H]([C@@H](CC1)C(C2=CC=CC=C2)(C)C)OC(=O)/C=C/C3=C(CCCC3)/C=C/C(=O)O[C@H]4[C@@H](CC[C@H](C4)C)C(C5=CC=CC=C5)(C)C
InChI: InChI=1S/C44H58O4/c1-31-21-25-37(43(3,4)35-17-9-7-10-18-35)39(29-31)47-41(45)27-23-33-15-13-14-16-34(33)24-28-42(46)48-40-30-32(2)22-26-38(40)44(5,6)36-19-11-8-12-20-36/h7-12,17-20,23-24,27-28,31-32,37-40H,13-16,21-22,25-26,29-30H2,1-6H3/b27-23+,28-24+/t31-,32-,37-,38-,39-,40-/m1/s1
SMILES: C([C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@@H]2O)O)O)CO)O)O)O)O
InChI: InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8-,9-,10+,11-,12+/m1/s1
SMILES: C1C[N+]2(CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@@]16[C@H]5N([C@H]7[C@@H]8[C@H]9C[C@H]1[C@@]2([C@H]8N4C3=CC=CC=C32)CC[N+]1(CC9=CCO7)CC1CO1)C1=CC=CC=C61)CC1CO1.[Br-].[Br-]
InChI: InChI=1S/C44H50N4O4.2BrH/c1-3-7-33-31(5-1)43-11-13-47(21-27-23-51-27)19-25-10-16-50-42-37(29(25)17-35(43)47)39(43)45(33)41-38-30-18-36-44(32-6-2-4-8-34(32)46(42)40(38)44)12-14-48(36,22-28-24-52-28)20-26(30)9-15-49-41;;/h1-10,27-30,35-42H,11-24H2;2*1H/q+2;;/p-2/t27?,28?,29-,30-,35-,36-,37+,38+,39-,40-,41+,42+,43+,44+,47?,48?;;/m0../s1
SMILES: CCOC(=O)C1=C([C@H]2[C@@H]1[C@H]3C[C@@H]2CC3=O)C4CCCCC4
InChI: InChI=1S/C18H24O3/c1-2-21-18(20)17-14(10-6-4-3-5-7-10)15-11-8-12(16(15)17)13(19)9-11/h10-12,15-16H,2-9H2,1H3/t11-,12+,15+,16+/m1/s1
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@@H]4[C@H](OC4=O)CCC5=CC(=CC=C5)N=NC6=CC=CC=C6
InChI: InChI=1S/C37H32N2O3/c40-36-34(35(42-36)25-24-28-14-13-23-33(26-28)39-38-32-21-11-4-12-22-32)27-41-37(29-15-5-1-6-16-29,30-17-7-2-8-18-30)31-19-9-3-10-20-31/h1-23,26,34-35H,24-25,27H2/t34-,35-/m1/s1
SMILES: COC(=O)[C@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI: InChI=1S/C11H13N5O5/c1-20-11(19)7-5(17)6(18)10(21-7)16-3-15-4-8(12)13-2-14-9(4)16/h2-3,5-7,10,17-18H,1H3,(H2,12,13,14)/t5-,6+,7-,10-/m1/s1
SMILES: C[C@@H]1[C@H]2CC3=C([C@@]1(CCN2C[C@H]4C[C@@]4(C5=CC=CC=C5)C(=O)N[C@@H](CC(C)C)C(=O)NCCCN)C)C=C(C=C3)O
InChI: InChI=1S/C34H48N4O3/c1-22(2)17-29(31(40)36-15-8-14-35)37-32(41)34(25-9-6-5-7-10-25)20-26(34)21-38-16-13-33(4)23(3)30(38)18-24-11-12-27(39)19-28(24)33/h5-7,9-12,19,22-23,26,29-30,39H,8,13-18,20-21,35H2,1-4H3,(H,36,40)(H,37,41)/t23-,26-,29+,30-,33-,34+/m1/s1