EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)C(=O)O[C@@H]1C[C@H]2C[C@@H]1[C@@H]3[C@@H]2C=CC3
InChI: InChI=1S/C14H20O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h3-4,8-13H,5-7H2,1-2H3/t9-,10-,11+,12-,13-/m1/s1
SMILES: CC(=O)C1=CC(=C(C=C1)OC)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4
InChI: InChI=1S/C18H17NO4/c1-9(20)10-5-6-14(23-2)13(8-10)19-17(21)15-11-3-4-12(7-11)16(15)18(19)22/h3-6,8,11-12,15-16H,7H2,1-2H3/t11-,12+,15+,16-
SMILES: CCCC(=O)O[C@@H]1C[C@@H]([C@@]2([C@H](CC/C(=C\[C@H]3[C@]4([C@@H]([C@H]2[C@@]1(C)O)O)[C@@](O4)(C(=O)O3)C)/C)OC(=O)C)C)OC(=O)C
InChI: InChI=1S/C28H40O11/c1-8-9-21(31)37-19-13-18(36-16(4)30)25(5)17(35-15(3)29)11-10-14(2)12-20-28(23(32)22(25)26(19,6)34)27(7,39-28)24(33)38-20/h12,17-20,22-23,32,34H,8-11,13H2,1-7H3/b14-12-/t17-,18-,19+,20-,22+,23+,25-,26-,27-,28-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CC=C5[C@H](C)COC(=O)C)C)C
InChI: InChI=1S/C31H42O5S/c1-20-6-9-25(10-7-20)37(33,34)36-24-14-16-30(4)23(18-24)8-11-26-28-13-12-27(21(2)19-35-22(3)32)31(28,5)17-15-29(26)30/h6-10,12,21,24,26,28-29H,11,13-19H2,1-5H3/t21-,24+,26+,28+,29+,30+,31-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[C@H]2[C@@H]([C@H](C(=O)O2)[C@@H](C3=CC(=C(C(=C3)OC)OC)OC)O)C4(SCCCS4)C5=C(C6=C(C=C5)OCO6)OC)C(C)C
InChI: InChI=1S/C36H48O10S2/c1-19(2)22-10-9-20(3)15-25(22)45-35-29(28(34(38)46-35)30(37)21-16-26(39-4)32(42-7)27(17-21)40-5)36(47-13-8-14-48-36)23-11-12-24-33(31(23)41-6)44-18-43-24/h11-12,16-17,19-20,22,25,28-30,35,37H,8-10,13-15,18H2,1-7H3/t20-,22+,25-,28+,29-,30-,35-/m1/s1
SMILES: CCCCCCCCN(CCCCCCCC)C[C@H]1[C@H]([C@H](O[C@H](O1)C2=CC=CC(=C2)C3=CC=CC(=C3)CNS(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)CO)C
InChI: InChI=1S/C48H66N2O5S/c1-4-6-8-10-12-17-31-50(32-18-13-11-9-7-5-2)36-46-38(3)47(41-29-27-39(37-51)28-30-41)55-48(54-46)44-24-20-23-43(34-44)42-22-19-21-40(33-42)35-49-56(52,53)45-25-15-14-16-26-45/h14-16,19-30,33-34,38,46-49,51H,4-13,17-18,31-32,35-37H2,1-3H3/t38-,46+,47+,48+/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)C4=NC5=CC=CC=C5N=C4)CN6CCCCC6
InChI: InChI=1S/C33H36N4O4/c1-22-30(20-37-17-5-2-6-18-37)40-33(41-31(22)24-11-9-23(21-38)10-12-24)25-13-15-26(16-14-25)35-32(39)29-19-34-27-7-3-4-8-28(27)36-29/h3-4,7-16,19,22,30-31,33,38H,2,5-6,17-18,20-21H2,1H3,(H,35,39)/t22-,30+,31+,33+/m1/s1
SMILES: C1C[NH+]2C[C@@H]([C@H]1C[C@@H]2CN3C=C(N=N3)COC4=CC=CC=C4)C(=O)NCC5=CC=C(C=C5)F
InChI: InChI=1S/C25H28FN5O2/c26-20-8-6-18(7-9-20)13-27-25(32)24-16-30-11-10-19(24)12-22(30)15-31-14-21(28-29-31)17-33-23-4-2-1-3-5-23/h1-9,14,19,22,24H,10-13,15-17H2,(H,27,32)/p+1/t19-,22-,24+/m1/s1
SMILES: CC1(OC[C@@H]2[C@@H](O1)[C@H]3[C@@H]([C@@H]4N2C(=O)C(=O)N4CCCCCCNC(=O)OC(C)(C)C)OC(O3)(C)C)C
InChI: InChI=1S/C25H41N3O8/c1-23(2,3)36-22(31)26-12-10-8-9-11-13-27-19-18-17(34-25(6,7)35-18)16-15(14-32-24(4,5)33-16)28(19)21(30)20(27)29/h15-19H,8-14H2,1-7H3,(H,26,31)/t15-,16-,17+,18+,19+/m1/s1
SMILES: C[C@]12[C@@]3(CCCC[C@@H]3C(=O)O1)N(C(=O)O2)C4=CC=CC(=C4)C(F)(F)F
InChI: InChI=1S/C17H16F3NO4/c1-15-16(8-3-2-7-12(16)13(22)24-15)21(14(23)25-15)11-6-4-5-10(9-11)17(18,19)20/h4-6,9,12H,2-3,7-8H2,1H3/t12-,15+,16+/m1/s1
SMILES: C[C@@H]1CC2=NC(=C([C@@H](C2C(=O)[C@@H]1C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C
InChI: InChI=1S/C21H22N2O7/c1-10-9-14-18(19(24)15(10)20(25)29-3)17(16(11(2)22-14)21(26)30-4)12-5-7-13(8-6-12)23(27)28/h5-8,10,15,17-18H,9H2,1-4H3/t10-,15-,17+,18?/m1/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)OCC8=CC(=CC=C8)Cl)C9=C(N6CC1=CC(=CC=C1)Cl)C=CC(=C9)Cl
InChI: InChI=1S/C40H35Cl3N2O3/c41-27-5-1-3-24(15-27)21-45-32-11-10-29(43)18-30(32)31-19-40(47-22-25-4-2-6-28(42)16-25)34-17-26-9-12-33(46)37-35(26)39(40,38(48-37)36(31)45)13-14-44(34)20-23-7-8-23/h1-6,9-12,15-16,18,23,34,38,46H,7-8,13-14,17,19-22H2/t34-,38+,39+,40-/m1/s1
SMILES: C[C@@H]1[C@H]2[C@H]([C@@]3(CCCC[C@H]3[C@@]1(C(=O)C4=C(O2)C(=C)OC4=O)C)O)OC(=O)C5=CC=C(C=C5)Br
InChI: InChI=1S/C25H25BrO7/c1-12-18-21(33-22(28)14-7-9-15(26)10-8-14)25(30)11-5-4-6-16(25)24(12,3)20(27)17-19(32-18)13(2)31-23(17)29/h7-10,12,16,18,21,30H,2,4-6,11H2,1,3H3/t12-,16+,18+,21-,24-,25+/m1/s1
SMILES: CC1=C2[C@@]3(C[C@@H]1OC(=O)C4=CC=CC=C4)[C@H](C5[C@]([C@@]2(C(=O)OC3(C)C)O)([C@H](C[C@@H]6[C@]5(CO6)OC(=O)C)OC(=O)C7=CC=CC=C7)C)OC(=O)C8=CC=CC=C8
InChI: InChI=1S/C43H42O12/c1-24-29(51-35(45)26-15-9-6-10-16-26)22-41-32(24)43(49,38(48)55-39(41,3)4)40(5)30(52-36(46)27-17-11-7-12-18-27)21-31-42(23-50-31,54-25(2)44)33(40)34(41)53-37(47)28-19-13-8-14-20-28/h6-20,29-31,33-34,49H,21-23H2,1-5H3/t29-,30-,31+,33?,34-,40+,41-,42-,43+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@]12CCC[C@@H](O2)[C@@H](CO)NC(=O)OC(C)(C)C)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C25H40N2O12/c1-13(29)26-22-21(36-16(4)32)20(35-15(3)31)19(12-34-14(2)30)38-25(22)10-8-9-18(37-25)17(11-28)27-23(33)39-24(5,6)7/h17-22,28H,8-12H2,1-7H3,(H,26,29)(H,27,33)/t17-,18-,19-,20+,21+,22-,25+/m1/s1
SMILES: CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O
InChI: InChI=1S/C12H19N6O6P/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(19)7(13)6(24-12)3-23-25(20,21)22/h4-7,9,12,19H,3,13H2,1-2H3,(H2,20,21,22)/t6-,7-,9-,12-/m1/s1
SMILES: C[C@H]\1[C@@H]2[C@H](/C1=C\CCCC(=O)O)CC[C@@H]([C@H]2C#C[C@H](C3CCCCC3)O)O
InChI: InChI=1S/C23H34O4/c1-15-17(9-5-6-10-22(26)27)18-11-14-21(25)19(23(15)18)12-13-20(24)16-7-3-2-4-8-16/h9,15-16,18-21,23-25H,2-8,10-11,14H2,1H3,(H,26,27)/b17-9-/t15-,18+,19-,20-,21+,23-/m1/s1
SMILES: CCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O
InChI: InChI=1S/C32H46O12/c1-9-12-13-15-22(35)41-26-24-23(18(5)25(26)42-28(36)17(4)11-3)27-32(39,31(8,38)29(37)43-27)20(40-21(34)14-10-2)16-30(24,7)44-19(6)33/h11,20,24-27,38-39H,9-10,12-16H2,1-8H3/b17-11-/t20-,24+,25-,26-,27-,30-,31+,32+/m0/s1
SMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)[C@H]2C[C@@H]2C)Cl
InChI: InChI=1S/C17H23ClN2O5S/c1-4-20(5-2)26(23,24)15-9-12(6-7-14(15)18)19-16(21)10-25-17(22)13-8-11(13)3/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,19,21)/t11-,13-/m0/s1
SMILES: CNC(=O)O[C@H]1CC[C@@H]([C@H](C1)C(=O)NO)C(=O)N2CC[C@@H](C2)C3=CC=CC=C3
InChI: InChI=1S/C20H27N3O5/c1-21-20(26)28-15-7-8-16(17(11-15)18(24)22-27)19(25)23-10-9-14(12-23)13-5-3-2-4-6-13/h2-6,14-17,27H,7-12H2,1H3,(H,21,26)(H,22,24)/t14-,15-,16-,17-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O
InChI: InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18+,19-/m0/s1
SMILES: CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O
InChI: InChI=1S/C20H26N2O5S/c1-14-10-12-22(13-11-14)28(26,27)16-8-6-15(7-9-16)21-19(23)17-4-2-3-5-18(17)20(24)25/h2-3,6-9,14,17-18H,4-5,10-13H2,1H3,(H,21,23)(H,24,25)/t17-,18-/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)OC)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O
InChI: InChI=1S/C37H38O18/c1-10-5-16-22(29(45)19(10)35(49)51-4)21-14(8-15-23(30(21)46)26(42)13-6-12(50-3)7-17(38)20(13)25(15)41)27(43)33(16)54-37-32(48)34(24(40)11(2)53-37)55-36-31(47)28(44)18(39)9-52-36/h5-8,11,18,24,27-28,31-34,36-40,43-48H,9H2,1-4H3/t11-,18-,24+,27+,28+,31-,32-,33+,34+,36+,37+/m1/s1
SMILES: CC(C)N1C(=O)[C@@H]2[C@H]([C@]1(C)C3=CC=CC=C3)C=CC4=CC=CC=C24
InChI: InChI=1S/C22H23NO/c1-15(2)23-21(24)20-18-12-8-7-9-16(18)13-14-19(20)22(23,3)17-10-5-4-6-11-17/h4-15,19-20H,1-3H3/t19-,20+,22+/m1/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)OCC=C)C2=CC=C(C=C2)C(=O)OC)CCOCCOCCO
InChI: InChI=1S/C25H34O9/c1-4-12-33-24(28)22-17-21(18-6-8-19(9-7-18)23(27)29-3)20(25(34-22)32-5-2)10-13-30-15-16-31-14-11-26/h4,6-9,17,20-21,25-26H,1,5,10-16H2,2-3H3/t20-,21+,25+/m0/s1
SMILES: C1[C@H]2[C@@H]([C@H]3[C@H](O3)[C@@H](O1)O2)OCC4=CC=CC=C4
InChI: InChI=1S/C13H14O4/c1-2-4-8(5-3-1)6-14-10-9-7-15-13(16-9)12-11(10)17-12/h1-5,9-13H,6-7H2/t9-,10-,11-,12-,13-/m0/s1
SMILES: C[C@H]1C2=C([C@H]3CCC(C[C@H]3N1)(C)C)C4=CC=CC=C4N2
InChI: InChI=1S/C18H24N2/c1-11-17-16(12-6-4-5-7-14(12)20-17)13-8-9-18(2,3)10-15(13)19-11/h4-7,11,13,15,19-20H,8-10H2,1-3H3/t11-,13-,15+/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@]3([C@H]([C@H]4[C@@](C2(C)C)(CC1)OC(=O)O4)[C@@]5(CC([C@@H]3OCC6=CC=CC=C6)O)COC(O5)(C)C)C)OC(=O)C
InChI: InChI=1S/C33H42O10/c1-18-13-14-33-27(41-28(37)42-33)24-31(7,25(36)23(40-19(2)34)22(18)29(33,3)4)26(38-16-20-11-9-8-10-12-20)21(35)15-32(24)17-39-30(5,6)43-32/h8-12,21,23-24,26-27,35H,13-17H2,1-7H3/t21?,23-,24+,26+,27+,31-,32-,33-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[C@H]([C@@H]1O[P@]2(=S)OCCS2)N3C=NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5)COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC
InChI: InChI=1S/C46H52N5O8PS2Si/c1-45(2,3)63(6,7)59-39-37(28-55-46(32-16-12-9-13-17-32,33-18-22-35(53-4)23-19-33)34-20-24-36(54-5)25-21-34)57-44(40(39)58-60(61)56-26-27-62-60)51-30-49-38-41(47-29-48-42(38)51)50-43(52)31-14-10-8-11-15-31/h8-25,29-30,37,39-40,44H,26-28H2,1-7H3,(H,47,48,50,52)/t37-,39-,40-,44-,60+/m1/s1
SMILES: CC(C)CCC/C=C\CCCCCCCC(=O)NCC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1C(CO)O)NC2=NC=NC3=C2NC=N3)O)O
InChI: InChI=1S/C30H49N7O7/c1-19(2)13-11-9-7-5-3-4-6-8-10-12-14-21(40)31-15-22(41)36-23-25(42)26(43)30(44-27(23)20(39)16-38)37-29-24-28(33-17-32-24)34-18-35-29/h5,7,17-20,23,25-27,30,38-39,42-43H,3-4,6,8-16H2,1-2H3,(H,31,40)(H,36,41)(H2,32,33,34,35,37)/b7-5-/t20?,23-,25-,26-,27+,30+/m1/s1
SMILES: C[C@H]1C[C@@H]1C(=O)OCC(=O)N(C)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC
InChI: InChI=1S/C23H27NO5/c1-16-11-19(16)23(26)29-15-22(25)24(2)13-18-9-10-20(21(12-18)27-3)28-14-17-7-5-4-6-8-17/h4-10,12,16,19H,11,13-15H2,1-3H3/t16-,19-/m0/s1
SMILES: CC(C)C(=O)NC1=NC(=C2C(=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COC(=O)C(C)C)OC(=O)C(C)C)N
InChI: InChI=1S/C22H32N6O6/c1-10(2)19(29)27-22-25-17(23)16-18(26-22)28(9-24-16)15-7-13(34-21(31)12(5)6)14(33-15)8-32-20(30)11(3)4/h9-15H,7-8H2,1-6H3,(H3,23,25,26,27,29)/t13-,14+,15+/m0/s1
SMILES: B1(OC[C@@]2(O1)C(=C[C@H]([C@@H]3[C@@]2(CCCC3(C)C)C)OC(=O)C)CO)CC
InChI: InChI=1S/C19H31BO5/c1-6-20-23-12-19(25-20)14(11-21)10-15(24-13(2)22)16-17(3,4)8-7-9-18(16,19)5/h10,15-16,21H,6-9,11-12H2,1-5H3/t15-,16+,18+,19-/m1/s1
SMILES: CCN(CC)C1=NC(=CC(=N1)N2CCN(CC2)CC(=O)[C@]3(CC[C@@H]4[C@@]3(CC=C5[C@H]4CCC6=CC(=O)CC[C@@]65C)C)O)N7CCCCC7
InChI: InChI=1S/C38H56N6O3/c1-5-42(6-2)35-39-33(43-18-8-7-9-19-43)25-34(40-35)44-22-20-41(21-23-44)26-32(46)38(47)17-14-31-29-11-10-27-24-28(45)12-15-36(27,3)30(29)13-16-37(31,38)4/h13,24-25,29,31,47H,5-12,14-23,26H2,1-4H3/t29-,31+,36+,37+,38+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](N3C=CC4=CC=CC=C4[C@@H]3C2(C#N)C#N)C(=O)C5=CC=CC=C5
InChI: InChI=1S/C28H21N3O2/c1-33-22-13-11-20(12-14-22)24-25(26(32)21-8-3-2-4-9-21)31-16-15-19-7-5-6-10-23(19)27(31)28(24,17-29)18-30/h2-16,24-25,27H,1H3/t24-,25+,27-/m1/s1
SMILES: CCCCCCC(C)CCCCCCCCCOC[C@@H](CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H]1OC(=O)CCCCCCCCCCCCC(C)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C49H88O12/c1-9-10-11-26-31-38(4)32-27-22-18-16-20-24-29-34-55-35-43(57-39(5)50)36-56-45-46(58-40(6)51)48(59-41(7)52)49(60-42(8)53)47(45)61-44(54)33-28-23-19-15-13-12-14-17-21-25-30-37(2)3/h37-38,43,45-49H,9-36H2,1-8H3/t38?,43-,45+,46+,47+,48-,49-/m0/s1
SMILES: C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O)O)O
InChI: InChI=1S/C12H14O7/c13-7-8(14)10(11(16)17)19-12(9(7)15)18-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10+,12+/m0/s1
SMILES: CC1=CC(=CC=C1)C2=CSC(=C2C(=O)OC)NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-]
InChI: InChI=1S/C21H23NO5S/c1-12-6-5-7-13(10-12)16-11-28-19(17(16)21(26)27-2)22-18(23)14-8-3-4-9-15(14)20(24)25/h5-7,10-11,14-15H,3-4,8-9H2,1-2H3,(H,22,23)(H,24,25)/p-1/t14-,15+/m0/s1
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[C@@H]2C3=CC(=C(C=C3C=C([S@@]2=O)C4=CC(=C(C=C4)OC)OC)OC)OC
InChI: InChI=1S/C33H40O6S/c1-32(2,3)23-13-21(14-24(30(23)34)33(4,5)6)31-22-18-28(39-10)27(38-9)16-20(22)17-29(40(31)35)19-11-12-25(36-7)26(15-19)37-8/h11-18,31,34H,1-10H3/t31-,40+/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=C(C=C5)OC)O)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O)Cl
InChI: InChI=1S/C29H24Cl2N2O8/c1-32-26(39)28(30)12-18-16(22(29(28,31)27(32)40)13-6-9-20(41-2)19(34)11-13)7-8-17-21(18)24(36)33(23(17)35)15-5-3-4-14(10-15)25(37)38/h3-7,9-11,17-18,21-22,34H,8,12H2,1-2H3,(H,37,38)/t17-,18+,21-,22-,28+,29-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2C(=O)[C@@](NC2=O)(C)C3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C19H23Cl2N3O3/c1-11-5-3-4-6-15(11)22-16(25)10-24-17(26)19(2,23-18(24)27)13-8-7-12(20)9-14(13)21/h7-9,11,15H,3-6,10H2,1-2H3,(H,22,25)(H,23,27)/t11-,15-,19+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)Br)CCC4=C3C=CC(=C4F)O
InChI: InChI=1S/C18H22BrFO2/c1-18-7-6-10-9-4-5-15(21)16(20)12(9)3-2-11(10)13(18)8-14(19)17(18)22/h4-5,10-11,13-14,17,21-22H,2-3,6-8H2,1H3/t10-,11-,13+,14+,17+,18+/m1/s1
SMILES: CC[C@]1([C@@H](C(=O)N1CC2=CC=CC=C2)OC(=O)[C@](C3=CC=CC=C3)(C(F)(F)F)OC)[C@H](C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H40F3NO5Si/c1-9-28(21(2)39-40(7,8)27(3,4)5)24(25(35)34(28)20-22-16-12-10-13-17-22)38-26(36)29(37-6,30(31,32)33)23-18-14-11-15-19-23/h10-19,21,24H,9,20H2,1-8H3/t21-,24+,28+,29+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H](C[C@](O1)(C#N)OC)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H19NO8/c1-8(16)20-6-12-13(22-10(3)18)11(21-9(2)17)5-14(7-15,19-4)23-12/h11-13H,5-6H2,1-4H3/t11-,12-,13-,14+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C[C@@H]2C(=O)NC3=CC=CC=C3S2
InChI: InChI=1S/C20H26N2O4S/c1-12-6-5-8-14(13(12)2)21-18(23)11-26-19(24)10-17-20(25)22-15-7-3-4-9-16(15)27-17/h3-4,7,9,12-14,17H,5-6,8,10-11H2,1-2H3,(H,21,23)(H,22,25)/t12-,13+,14-,17+/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=CC=C3C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C19H16N2O4/c22-19(23)16-9-3-8-15-13-6-2-7-14(13)17(20-18(15)16)11-4-1-5-12(10-11)21(24)25/h1-6,8-10,13-14,17,20H,7H2,(H,22,23)/t13-,14+,17+/m1/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@H]1C([C@]2(F)Cl)(F)F)O)Cl
InChI: InChI=1S/C7H7Cl2F3O/c8-4-2-1-3(5(4)13)7(11,12)6(2,9)10/h2-5,13H,1H2/t2-,3+,4-,5-,6+/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@@H]2[C@]([C@@H]1C=O)([C@@](CC2(C)C)(C)C=O)O)OC(=O)C
InChI: InChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12-,13+,14+,16-,17-/m1/s1
SMILES: CC1=CC(=CC=C1)NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C23H28N2O5/c1-12(2)20(23(29)30-11-17(26)24-16-6-4-5-13(3)9-16)25-21(27)18-14-7-8-15(10-14)19(18)22(25)28/h4-6,9,12,14-15,18-20H,7-8,10-11H2,1-3H3,(H,24,26)/t14-,15+,18-,19-,20+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC/C=C\[C@@H]3[C@@H](CO[C@@H](O3)C4=CC=CC=C4)OC(=N)C(Cl)(Cl)Cl
InChI: InChI=1S/C32H36Cl3NO4Si/c1-31(2,3)41(25-17-9-5-10-18-25,26-19-11-6-12-20-26)38-22-14-13-21-27-28(40-30(36)32(33,34)35)23-37-29(39-27)24-15-7-4-8-16-24/h4-13,15-21,27-29,36H,14,22-23H2,1-3H3/b21-13-,36-30?/t27-,28-,29+/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@]13C=C[C@]4([C@@H]2CC[C@]5([C@H]4CC[C@@]56CN(C(=O)O6)CC7=CC=CC8=CC=CC=C87)C)C(=C3)C(=O)C9=CC=C(C=C9)C1=CC=CC=C1)O
InChI: InChI=1S/C47H47NO4/c1-43-22-19-36(49)27-45(43)25-26-47(38(28-45)41(50)34-17-15-32(16-18-34)31-9-4-3-5-10-31)39(43)20-23-44(2)40(47)21-24-46(44)30-48(42(51)52-46)29-35-13-8-12-33-11-6-7-14-37(33)35/h3-18,25-26,28,36,39-40,49H,19-24,27,29-30H2,1-2H3/t36-,39+,40+,43+,44-,45-,46+,47+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](C=C[C@@H]2[C@@H]1[C@H](C[C@@](C2)(C)C(=O)OC)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C23H40O5Si/c1-10-27-20(24)18-15(2)11-12-16-13-23(6,21(25)26-7)14-17(19(16)18)28-29(8,9)22(3,4)5/h11-12,15-19H,10,13-14H2,1-9H3/t15-,16-,17-,18-,19+,23-/m0/s1
SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)O)CO
InChI: InChI=1S/C22H35NO5/c1-3-23-9-20(10-24)5-4-16(25)22-12-6-11-14(28-2)8-21(27,17(12)18(11)26)13(19(22)23)7-15(20)22/h11-19,24-27H,3-10H2,1-2H3/t11-,12-,13+,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1
SMILES: C1C[C@@H]([C@H](C(=C1)C2=CC=C(C=C2)C3=CC=CC=C3)OO)O
InChI: InChI=1S/C18H18O3/c19-17-8-4-7-16(18(17)21-20)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-3,5-7,9-12,17-20H,4,8H2/t17-,18-/m0/s1
SMILES: CCOP(=S)(OCC)S[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C
InChI: InChI=1S/C33H41O8PS2/c1-4-38-42(43,39-5-2)44-33-32(40-25(3)34)31(37-23-28-19-13-8-14-20-28)30(36-22-27-17-11-7-12-18-27)29(41-33)24-35-21-26-15-9-6-10-16-26/h6-20,29-33H,4-5,21-24H2,1-3H3/t29-,30-,31+,32-,33-/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)OC[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)O)O)O)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)O
InChI: InChI=1S/C24H42O21/c25-1-5-9(27)14(32)17(35)22(42-5)39-4-8-12(30)20(45-24-18(36)15(33)10(28)6(2-26)43-24)19(37)23(44-8)40-3-7-11(29)13(31)16(34)21(38)41-7/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24-/m1/s1
SMILES: CN[C@@H]1[C@H]([C@H](C2=C1C=C(C=C2)OC)C3=CC(=C(C=C3)Cl)Cl)O
InChI: InChI=1S/C17H17Cl2NO2/c1-20-16-12-8-10(22-2)4-5-11(12)15(17(16)21)9-3-6-13(18)14(19)7-9/h3-8,15-17,20-21H,1-2H3/t15-,16-,17-/m0/s1
SMILES: CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1[C@@H](O1)C(=O)O
InChI: InChI=1S/C15H26N2O5/c1-8(2)5-6-16-13(18)10(7-9(3)4)17-14(19)11-12(22-11)15(20)21/h8-12H,5-7H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11+,12+/m0/s1
SMILES: COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C3[C@H](C(=O)N3C4=CC=C(C=C4)C#CCNS(=O)(=O)C5=CC=CC=C5)CC[C@@H](C6=CC=C(C=C6)F)O)O)O)O
InChI: InChI=1S/C40H39FN2O11S/c1-52-39(49)37-35(46)34(45)36(47)40(54-37)53-29-19-13-26(14-20-29)33-31(21-22-32(44)25-11-15-27(41)16-12-25)38(48)43(33)28-17-9-24(10-18-28)6-5-23-42-55(50,51)30-7-3-2-4-8-30/h2-4,7-20,31-37,40,42,44-47H,21-23H2,1H3/t31-,32+,33?,34+,35+,36-,37+,40-/m1/s1
SMILES: CC1=CC2=C(S1)CCC(C2=O)CN[C@@H]3CC[C@H]([C@@H]3O)OC4=CC=CC=C4C(C)(C)C
InChI: InChI=1S/C25H33NO3S/c1-15-13-17-22(30-15)12-9-16(23(17)27)14-26-19-10-11-21(24(19)28)29-20-8-6-5-7-18(20)25(2,3)4/h5-8,13,16,19,21,24,26,28H,9-12,14H2,1-4H3/t16?,19-,21-,24-/m1/s1
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=CC=C3N4C(=O)[C@@H]5[C@@H](C4=O)C6C7=CC=CC=C7C5C8=CC=CC=C68
InChI: InChI=1S/C39H27NO5/c41-32(25-20-18-24(19-21-25)23-10-2-1-3-11-23)22-45-39(44)30-16-8-9-17-31(30)40-37(42)35-33-26-12-4-5-13-27(26)34(36(35)38(40)43)29-15-7-6-14-28(29)33/h1-21,33-36H,22H2/t33?,34?,35-,36-/m0/s1
SMILES: COCOC1=C(C=C(C=C1)[C@H]2[C@@H](C3=C(O2)C(=CC(=C3)C=O)OCOC)CO)OC
InChI: InChI=1S/C21H24O8/c1-24-11-27-17-5-4-14(8-18(17)26-3)20-16(10-23)15-6-13(9-22)7-19(21(15)29-20)28-12-25-2/h4-9,16,20,23H,10-12H2,1-3H3/t16-,20+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=C2[C@H]5C[C@@H]6CC(=O)CC[C@@]6(C(=O)N5CC4)S(=O)(=O)C7=CC=CC=C7
InChI: InChI=1S/C32H30N2O6S2/c1-21-11-13-25(14-12-21)42(39,40)34-28-10-6-5-9-26(28)27-16-18-33-29(30(27)34)20-22-19-23(35)15-17-32(22,31(33)36)41(37,38)24-7-3-2-4-8-24/h2-14,22,29H,15-20H2,1H3/t22-,29+,32+/m0/s1
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@H]([C@H](C(=N)C2(C#N)C#N)C#N)C3=CC(=CC=C3)F
InChI: InChI=1S/C21H18FN5O2/c1-2-29-20(28)27-7-6-17-16(10-27)18(13-4-3-5-14(22)8-13)15(9-23)19(26)21(17,11-24)12-25/h3-6,8,15-16,18,26H,2,7,10H2,1H3/t15-,16+,18+/m1/s1
SMILES: CC(C)C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)SC)O)O)O)NC(=O)C2CC(CN2)CCC3CC3
InChI: InChI=1S/C20H36N2O5S/c1-10(2)14(18-16(24)15(23)17(25)20(27-18)28-3)22-19(26)13-8-12(9-21-13)7-6-11-4-5-11/h10-18,20-21,23-25H,4-9H2,1-3H3,(H,22,26)/t12?,13?,14?,15-,16+,17+,18+,20+/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@]3([C@@]2(C4(N=C3N)OCCO4)C#N)C#N)Br
InChI: InChI=1S/C16H13BrN4O3/c1-22-11-3-2-9(6-10(11)17)12-14(7-18)13(20)21-16(15(12,14)8-19)23-4-5-24-16/h2-3,6,12H,4-5H2,1H3,(H2,20,21)/t12-,14-,15-/m1/s1
SMILES: CCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2C[C@@H]([C@H]([C@@H]([C@H]2OC(=O)CC)OC(=O)CC)OC(=O)CC)OC(=O)CC)OC(=O)CC)OC(=O)CC)OC(=O)CC
InChI: InChI=1S/C36H54O18/c1-9-22(37)45-18-21-32(51-26(41)13-5)34(53-28(43)15-7)35(54-29(44)16-8)36(48-21)47-20-17-19(46-23(38)10-2)30(49-24(39)11-3)33(52-27(42)14-6)31(20)50-25(40)12-4/h19-21,30-36H,9-18H2,1-8H3/t19-,20-,21+,30+,31-,32+,33-,34-,35+,36-/m0/s1
SMILES: CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F)O)C)C(=O)SCF
InChI: InChI=1S/C24H30F2O5S/c1-4-19(29)31-24(21(30)32-12-25)8-6-15-14-10-17(26)16-9-13(27)5-7-22(16,2)20(14)18(28)11-23(15,24)3/h5,7,9,14-15,17-18,20,28H,4,6,8,10-12H2,1-3H3/t14-,15-,17-,18-,20+,22-,23-,24-/m0/s1
SMILES: C=C1[C@@H]([C@@H](NC(=O)N1)C2=CC(=CC=C2)Cl)C(=O)NC3=CC=CC=C3C(F)(F)F
InChI: InChI=1S/C19H15ClF3N3O2/c1-10-15(16(26-18(28)24-10)11-5-4-6-12(20)9-11)17(27)25-14-8-3-2-7-13(14)19(21,22)23/h2-9,15-16H,1H2,(H,25,27)(H2,24,26,28)/t15-,16-/m0/s1
SMILES: CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5(C3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.CS(=O)(=O)[O-]
InChI: InChI=1S/C34H57N2O4.CH4O3S/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36;1-5(2,3)4/h25-32H,6-22H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1/t25-,26?,27?,28?,29-,30-,31-,32-,33-,34-;/m0./s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)OC3=NO[N+](=C3S(=O)(=O)C4=CC=CC=C4)[O-]
InChI: InChI=1S/C17H15FN4O9S/c18-10-7-21(17(25)19-14(10)24)13-6-11(12(8-23)29-13)30-15-16(22(26)31-20-15)32(27,28)9-4-2-1-3-5-9/h1-5,7,11-13,23H,6,8H2,(H,19,24,25)/t11-,12+,13+/m0/s1
SMILES: CCNC(=O)NCC1=CC=C(C=C1)C2O[C@@H]([C@@H]([C@@H](O2)C3=CC=C(C=C3)CO)C)CSC4=CC=CC=N4
InChI: InChI=1S/C28H33N3O4S/c1-3-29-28(33)31-16-20-7-13-23(14-8-20)27-34-24(18-36-25-6-4-5-15-30-25)19(2)26(35-27)22-11-9-21(17-32)10-12-22/h4-15,19,24,26-27,32H,3,16-18H2,1-2H3,(H2,29,31,33)/t19-,24+,26+,27?/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H](C[C@H](O1)Br)OC(=O)C)OC(=O)C
InChI: InChI=1S/C12H17BrO7/c1-6(14)17-5-10-12(19-8(3)16)9(18-7(2)15)4-11(13)20-10/h9-12H,4-5H2,1-3H3/t9-,10-,11+,12+/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@]2([C@@H](CC[C@H]([C@@H]2[C@@]1(C)CC[C@H]3CCO[C@@H]3OC)OC(=O)/C=C\C4=CC=CC=C4)C=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C36H52O11/c1-21-18-27(47-34-31(42)30(41)29(40)26(20-38)46-34)36(3)24(19-37)11-12-25(45-28(39)13-10-22-8-6-5-7-9-22)32(36)35(21,2)16-14-23-15-17-44-33(23)43-4/h5-10,13,19,21,23-27,29-34,38,40-42H,11-12,14-18,20H2,1-4H3/b13-10-/t21-,23+,24+,25-,26-,27+,29-,30+,31-,32-,33+,34+,35+,36-/m1/s1
SMILES: C[C@H]1CC(=O)O[C@H](C(=O)/C=C/C(=O)O[C@H]([C@@H](/C=C/C(=O)O1)OCOC)C)C
InChI: InChI=1S/C18H24O9/c1-11-9-18(22)26-12(2)14(19)5-7-17(21)27-13(3)15(24-10-23-4)6-8-16(20)25-11/h5-8,11-13,15H,9-10H2,1-4H3/b7-5+,8-6+/t11-,12-,13-,15+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5Br)Br)O)OC)C(=O)N(C4=O)C6CCN(CC6)CC7=CC=CC=C7)C(=O)N(C2=O)C8=CC(=C(C=C8)F)Cl
InChI: InChI=1S/C40H37Br2ClFN3O6/c1-40-27(37(50)47(39(40)52)22-8-11-29(44)28(43)16-22)17-25-23(32(40)26-18-30(53-2)35(48)34(42)33(26)41)9-10-24-31(25)38(51)46(36(24)49)21-12-14-45(15-13-21)19-20-6-4-3-5-7-20/h3-9,11,16,18,21,24-25,27,31-32,48H,10,12-15,17,19H2,1-2H3/t24-,25+,27-,31-,32+,40+/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CC=CC=C5C(=O)O
InChI: InChI=1S/C24H17FN2O5/c25-14-10-12-15(13-11-14)26-22(28)19-20(17-8-4-5-9-18(17)24(30)31)27(32-21(19)23(26)29)16-6-2-1-3-7-16/h1-13,19-21H,(H,30,31)/t19-,20+,21+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC3=CC=CC(=C3)C#N
InChI: InChI=1S/C19H20N4O4/c1-12-5-2-3-8-15(12)23-18(26)17(25)22(19(23)27)11-16(24)21-14-7-4-6-13(9-14)10-20/h4,6-7,9,12,15H,2-3,5,8,11H2,1H3,(H,21,24)/t12-,15+/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@H](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)C(=O)CO)N)O.Cl
InChI: InChI=1S/C27H29NO10.ClH/c1-10-23(31)14(28)8-18(37-10)38-17-7-11(15(30)9-29)6-13-20(17)27(35)22-21(25(13)33)24(32)12-4-3-5-16(36-2)19(12)26(22)34;/h3-5,10-11,14,17-18,23,29,31,33,35H,6-9,28H2,1-2H3;1H/t10-,11+,14-,17-,18-,23+;/m0./s1
SMILES: CC(=C[C@H]1[C@]2(C=C3N1C(=O)[C@H]4CCCN4C3=O)C5=CC=CC=C5NC2=O)C
InChI: InChI=1S/C21H21N3O3/c1-12(2)10-17-21(13-6-3-4-7-14(13)22-20(21)27)11-16-18(25)23-9-5-8-15(23)19(26)24(16)17/h3-4,6-7,10-11,15,17H,5,8-9H2,1-2H3,(H,22,27)/t15-,17+,21+/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC)OC(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C23H36O7Si/c1-22(2,3)31(7,8)26-14-16(25-6)17-18-19(30-23(4,5)29-18)21(27-17)28-20(24)15-12-10-9-11-13-15/h9-13,16-19,21H,14H2,1-8H3/t16-,17-,18+,19+,21-/m1/s1
SMILES: C1[C@H]([C@@H](C(=O)O1)CC2=CC=CC=C2)C[S@@](=O)C3=CC=CC=C3
InChI: InChI=1S/C18H18O3S/c19-18-17(11-14-7-3-1-4-8-14)15(12-21-18)13-22(20)16-9-5-2-6-10-16/h1-10,15,17H,11-13H2/t15-,17-,22+/m0/s1