EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N4CCCN4[C@H]3C2=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C21H20FN3O2/c1-13-3-9-16(10-4-13)25-20(26)17-18(14-5-7-15(22)8-6-14)23-11-2-12-24(23)19(17)21(25)27/h3-10,17-19H,2,11-12H2,1H3/t17-,18-,19+/m0/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H]5C[C@@](O4)(N6C=CC(=O)N=C6O5)COC(C7=CC=CC=C7)(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC
InChI: InChI=1S/C52H48N2O9/c1-56-42-23-15-38(16-24-42)51(36-11-7-5-8-12-36,39-17-25-43(57-2)26-18-39)60-34-47-46-33-50(63-47,54-32-31-48(55)53-49(54)62-46)35-61-52(37-13-9-6-10-14-37,40-19-27-44(58-3)28-20-40)41-21-29-45(59-4)30-22-41/h5-32,46-47H,33-35H2,1-4H3/t46-,47-,50+/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7)C(=O)N(C3=O)C9=CC=C(C=C9)C1=NC2=CC=CC=C2O1
InChI: InChI=1S/C48H36N4O7/c1-24-21-28(22-25(2)42(24)53)39-31-19-20-32-40(47(56)51(45(32)54)29-15-11-26(12-16-29)43-49-35-7-3-5-9-37(35)58-43)33(31)23-34-41(39)48(57)52(46(34)55)30-17-13-27(14-18-30)44-50-36-8-4-6-10-38(36)59-44/h3-19,21-22,32-34,39-41,53H,20,23H2,1-2H3/t32-,33+,34+,39-,40-,41+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)OCC3=CC=CC=C3)O
InChI: InChI=1S/C18H22N2O7/c1-10-7-20(18(25)19-16(10)24)17-14(23)15(13(22)12(8-21)27-17)26-9-11-5-3-2-4-6-11/h2-7,12-15,17,21-23H,8-9H2,1H3,(H,19,24,25)/t12-,13-,14-,15-,17-/m1/s1
SMILES: C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@@]2([C@H](C[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H]([C@@]5(C)CO)OC(=O)CC(C)(C)C(=O)O)C)C)C2CC1(C)C)C)O)COC(=O)C)O
InChI: InChI=1S/C43H66O11/c1-12-24(2)35(49)54-34-33(48)43(23-52-25(3)45)27(19-37(34,4)5)26-13-14-29-39(8)17-16-31(53-32(47)21-38(6,7)36(50)51)40(9,22-44)28(39)15-18-41(29,10)42(26,11)20-30(43)46/h12-13,27-31,33-34,44,46,48H,14-23H2,1-11H3,(H,50,51)/b24-12+/t27?,28?,29-,30+,31+,33+,34+,39+,40+,41-,42-,43+/m1/s1
SMILES: C[C@@]12C[C@@H]([C@@H](N1CC3=CC=CC=C3)C=C(C2=O)OC)C#N
InChI: InChI=1S/C17H18N2O2/c1-17-9-13(10-18)14(8-15(21-2)16(17)20)19(17)11-12-6-4-3-5-7-12/h3-8,13-14H,9,11H2,1-2H3/t13-,14+,17+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl
InChI: InChI=1S/C18H24ClNO3S/c1-11-5-4-6-16(12(11)2)20-17(21)10-23-18(22)14-9-13(24-3)7-8-15(14)19/h7-9,11-12,16H,4-6,10H2,1-3H3,(H,20,21)/t11-,12+,16+/m1/s1
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C29H24O9/c1-17-14-24(31)36-23-15-20(12-13-21(17)23)35-29-26(38-28(33)19-10-6-3-7-11-19)25(22(30)16-34-29)37-27(32)18-8-4-2-5-9-18/h2-15,22,25-26,29-30H,16H2,1H3/t22-,25+,26-,29+/m1/s1
SMILES: CC(=C)C[C@H]1[C@@]23C=C[C@@H](O2)[C@H]([C@@H]3C(=O)N1C4=CC=CC=C4F)C(=O)[O-]
InChI: InChI=1S/C19H18FNO4/c1-10(2)9-14-19-8-7-13(25-19)15(18(23)24)16(19)17(22)21(14)12-6-4-3-5-11(12)20/h3-8,13-16H,1,9H2,2H3,(H,23,24)/p-1/t13-,14+,15-,16-,19-/m1/s1
SMILES: C[C@@H]1C[C@@H]2CC=C[C@H](O2)C/C=C\C(=O)O[C@@H](C[C@H]3[C@@H](O3)[C@H](CC(=C)C1)OC(=O)N(C)C)[C@H](/C=C/[C@@H]4CC(=CCO4)C)O
InChI: InChI=1S/C33H47NO8/c1-21-14-15-38-25(17-21)12-13-27(35)28-20-30-32(41-30)29(42-33(37)34(4)5)19-23(3)16-22(2)18-26-10-6-8-24(39-26)9-7-11-31(36)40-28/h6-8,11-14,22,24-30,32,35H,3,9-10,15-20H2,1-2,4-5H3/b11-7-,13-12+/t22-,24-,25+,26-,27-,28-,29-,30-,32-/m0/s1
SMILES: C=CCOC1=CC=CC=C1[C@@H]2[C@@H]3CC=C[C@H]3C4=C(C=CC(=C4N2)Cl)Cl
InChI: InChI=1S/C21H19Cl2NO/c1-2-12-25-18-9-4-3-6-15(18)20-14-8-5-7-13(14)19-16(22)10-11-17(23)21(19)24-20/h2-7,9-11,13-14,20,24H,1,8,12H2/t13-,14-,20+/m1/s1
SMILES: CC1=CN(C(=O)N=C1SCOC(=O)C(C)(C)C)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O[P+](=O)O
InChI: InChI=1S/C37H41N2O10PS/c1-24-21-39(35(41)38-33(24)51-23-46-34(40)36(2,3)4)32-20-30(49-50(42)43)31(48-32)22-47-37(25-10-8-7-9-11-25,26-12-16-28(44-5)17-13-26)27-14-18-29(45-6)19-15-27/h7-19,21,30-32H,20,22-23H2,1-6H3/p+1/t30-,31+,32+/m0/s1
SMILES: CC1=C(C[C@@H]([C@H](C1)C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)O)C
InChI: InChI=1S/C17H19NO5/c1-9-5-12(13(17(20)21)6-10(9)2)16(19)18-11-3-4-14-15(7-11)23-8-22-14/h3-4,7,12-13H,5-6,8H2,1-2H3,(H,18,19)(H,20,21)/t12-,13-/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@@H](C2)OC(=O)C[N+](C)(C)CCO[C@@H]3C[C@@H]4CC[C@]3(C4(C)C)C
InChI: InChI=1S/C26H46NO3/c1-23(2)18-9-12-26(23,6)21(15-18)29-14-13-27(7,8)17-22(28)30-20-16-25(5)11-10-19(20)24(25,3)4/h18-21H,9-17H2,1-8H3/q+1/t18-,19+,20+,21+,25-,26+/m0/s1
SMILES: CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)CNC3=CC=C(C=C3)[C@@H]4C[C@H]4C(=O)NO
InChI: InChI=1S/C22H20F3N3O2S/c1-12-19(31-21(27-12)14-2-6-15(7-3-14)22(23,24)25)11-26-16-8-4-13(5-9-16)17-10-18(17)20(29)28-30/h2-9,17-18,26,30H,10-11H2,1H3,(H,28,29)/t17-,18+/m0/s1
SMILES: CCCN1CC2=CC=CC=C2[C@@H]3[C@H]1CCC4=CC(=C(C=C34)O)O
InChI: InChI=1S/C20H23NO2/c1-2-9-21-12-14-5-3-4-6-15(14)20-16-11-19(23)18(22)10-13(16)7-8-17(20)21/h3-6,10-11,17,20,22-23H,2,7-9,12H2,1H3/t17-,20+/m1/s1
SMILES: CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C4=C(C=CC(=C4)Cl)NC3=O)N[C@@H]2[C@@H](C)O
InChI: InChI=1S/C19H22ClN3O4/c1-4-8(2)23-16(25)13-14(17(23)26)19(22-15(13)9(3)24)11-7-10(20)5-6-12(11)21-18(19)27/h5-9,13-15,22,24H,4H2,1-3H3,(H,21,27)/t8-,9+,13-,14-,15+,19-/m0/s1
SMILES: CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@H]2C[C@H](C[C@@H]3[C@@H]2C[C@@H](CC3)CO)O)O
InChI: InChI=1S/C26H42O3/c1-4-5-6-7-12-26(2,3)20-10-11-22(25(29)15-20)24-16-21(28)14-19-9-8-18(17-27)13-23(19)24/h10-11,15,18-19,21,23-24,27-29H,4-9,12-14,16-17H2,1-3H3/t18-,19-,21+,23+,24-/m1/s1
SMILES: C/C=C(\C)/C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)COC(=O)C)O)O)C
InChI: InChI=1S/C27H36O7/c1-8-13(2)24(31)34-23-14(3)11-26-15(4)9-19-20(25(19,6)7)18(22(26)30)10-17(12-33-16(5)28)21(29)27(23,26)32/h8,10-11,15,18-21,23,29,32H,9,12H2,1-7H3/b13-8+/t15-,18+,19-,20+,21-,23+,26+,27+/m1/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=C5Cl
InChI: InChI=1S/C24H19ClN2O3/c25-19-14-8-7-13-18(19)21-20-22(30-27(21)17-11-5-2-6-12-17)24(29)26(23(20)28)15-16-9-3-1-4-10-16/h1-14,20-22H,15H2/t20-,21-,22-/m0/s1
SMILES: CC1(O[C@@H]([C@@H](O1)[C@H](CO)O)CN(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C22H27NO5/c1-22(2)27-19(20(28-22)18(25)15-24)14-23(13-16-9-5-3-6-10-16)21(26)17-11-7-4-8-12-17/h3-12,18-20,24-25H,13-15H2,1-2H3/t18-,19+,20-/m0/s1
SMILES: C\1[C@@H]([C@H](/C1=N/O)COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H19NO5/c22-19(14-7-3-1-4-8-14)25-12-16-11-18(21-24)17(16)13-26-20(23)15-9-5-2-6-10-15/h1-10,16-17,24H,11-13H2/b21-18+/t16-,17-/m1/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)N(C4=O)N(C)C9=C(C=CC(=N9)C(F)(F)F)Cl)O
InChI: InChI=1S/C42H35Cl2F3N6O5S/c1-18-7-6-8-23(34(18)54)33-21-10-11-22-32(39(57)53(37(22)55)51(5)36-27(44)12-14-30(48-36)42(45,46)47)25(21)16-26-38(56)52(40(58)41(26,33)3)31-17-28(49-50(31)4)35-19(2)24-15-20(43)9-13-29(24)59-35/h6-10,12-15,17,22,25-26,32-33,54H,11,16H2,1-5H3/t22-,25+,26-,32-,33+,41+/m0/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC(=C(C=C3)F)F
InChI: InChI=1S/C18H16F2N2O5/c19-13-6-5-10(7-14(13)20)21-15(23)9-27-16(24)8-22-17(25)11-3-1-2-4-12(11)18(22)26/h1-2,5-7,11-12H,3-4,8-9H2,(H,21,23)/t11-,12-/m0/s1
SMILES: CC1(N([C@H]([C@@H](O1)CC(=C)CSC)CC2=CC=CC=C2)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C22H33NO3S/c1-16(15-27-7)13-19-18(14-17-11-9-8-10-12-17)23(22(5,6)25-19)20(24)26-21(2,3)4/h8-12,18-19H,1,13-15H2,2-7H3/t18-,19-/m0/s1
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@H]1CC2=CC(=C(C=C2)OCOC)C3=C4C(=CC=C3)[C@]([C@@H]([C@H](NC(=O)[C@@H](NC1=O)CC(=O)N)CO)O)(C(=O)N4)O)O[Si](CC)(CC)CC
InChI: InChI=1S/C38H55N5O11Si/c1-7-21(5)32(54-55(8-2,9-3)10-4)36(49)41-26-17-22-14-15-29(53-20-52-6)24(16-22)23-12-11-13-25-31(23)43-37(50)38(25,51)33(46)28(19-44)42-35(48)27(18-30(39)45)40-34(26)47/h11-16,21,26-28,32-33,44,46,51H,7-10,17-20H2,1-6H3,(H2,39,45)(H,40,47)(H,41,49)(H,42,48)(H,43,50)/t21-,26-,27-,28+,32-,33+,38-/m0/s1
SMILES: COP(=O)(C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC
InChI: InChI=1S/C37H43O8P/c1-39-46(38,40-2)28-34-36(43-25-31-19-11-5-12-20-31)37(44-26-32-21-13-6-14-22-32)35(42-24-30-17-9-4-10-18-30)33(45-34)27-41-23-29-15-7-3-8-16-29/h3-22,33-37H,23-28H2,1-2H3/t33-,34+,35+,36+,37+/m1/s1
SMILES: C[C@H]1C=C[C@H]2[C@@H]1C[C@H]([C@@H]2C/C=C\C(=O)OCC[Si](C)(C)C)/C=C/CCC3=CC(=O)OC(O3)(C)C
InChI: InChI=1S/C28H42O5Si/c1-20-14-15-24-23(12-9-13-26(29)31-16-17-34(4,5)6)21(18-25(20)24)10-7-8-11-22-19-27(30)33-28(2,3)32-22/h7,9-10,13-15,19-21,23-25H,8,11-12,16-18H2,1-6H3/b10-7+,13-9-/t20-,21+,23-,24+,25+/m0/s1
SMILES: CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C
InChI: InChI=1S/C21H23N3O6/c1-12-7-8-16(13(2)9-12)22-21(29)23-17(25)11-30-18(26)10-24-19(27)14-5-3-4-6-15(14)20(24)28/h3-4,7-9,14-15H,5-6,10-11H2,1-2H3,(H2,22,23,25,29)/t14-,15-/m0/s1
SMILES: CC(=O)OCC(=O)[C@@]12[C@@H](CC3C1(CC([C@H]4C3C[C@@H](C5=CC(=O)CCC45C)F)O)C)OC(O2)(C)C
InChI: InChI=1S/C26H35FO7/c1-13(28)32-12-20(31)26-21(33-23(2,3)34-26)10-16-15-9-18(27)17-8-14(29)6-7-24(17,4)22(15)19(30)11-25(16,26)5/h8,15-16,18-19,21-22,30H,6-7,9-12H2,1-5H3/t15?,16?,18-,19?,21+,22+,24?,25?,26+/m0/s1
SMILES: COC1=C(C=CC2=C1CC[C@@H]([C@@H]2C3=CC=C(C=C3)OCCN4CCCC4)C5=CC(=CC=C5)O)O
InChI: InChI=1S/C29H33NO4/c1-33-29-26-12-11-24(21-5-4-6-22(31)19-21)28(25(26)13-14-27(29)32)20-7-9-23(10-8-20)34-18-17-30-15-2-3-16-30/h4-10,13-14,19,24,28,31-32H,2-3,11-12,15-18H2,1H3/t24-,28+/m1/s1
SMILES: CC1=NN=C2N1N[C@H]([C@H](S2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C18H16N4OS/c1-12-19-20-18-22(12)21-15(13-8-4-2-5-9-13)17(24-18)16(23)14-10-6-3-7-11-14/h2-11,15,17,21H,1H3/t15-,17-/m0/s1
SMILES: C1CN([C@@H]2CC3=C4[C@@]15[C@H]2CC6=C([C@@H]5OC4=C(C=C3)O)NC7=CC=CC=C67)CCC8=CC=CC=C8.OP(=O)(O)O
InChI: InChI=1S/C30H28N2O2.H3O4P/c33-25-11-10-19-16-24-22-17-21-20-8-4-5-9-23(20)31-27(21)29-30(22,26(19)28(25)34-29)13-15-32(24)14-12-18-6-2-1-3-7-18;1-5(2,3)4/h1-11,22,24,29,31,33H,12-17H2;(H3,1,2,3,4)/t22-,24+,29-,30-;/m0./s1
SMILES: CCC(C)C(=O)O[C@@H]1C23[C@H](C[C@H]([C@](C2C[C@@H](O1)CC34CO4)(C)[C@@H]5C[C@H]6CCO[C@H]6O5)C)OC(=O)C
InChI: InChI=1S/C27H40O8/c1-6-14(2)22(29)35-24-27-19(11-18(33-24)12-26(27)13-31-26)25(5,15(3)9-21(27)32-16(4)28)20-10-17-7-8-30-23(17)34-20/h14-15,17-21,23-24H,6-13H2,1-5H3/t14?,15-,17-,18-,19?,20+,21+,23+,24-,25+,26?,27?/m1/s1
SMILES: C[C@]12CC[C@@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O.C1(C(=O)NC(=O)N1)NC(=O)N
InChI: InChI=1S/C30H46O4.C4H6N4O3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6;5-3(10)6-1-2(9)8-4(11)7-1/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34);1H,(H3,5,6,10)(H2,7,8,9,11)/t19-,21?,22+,23-,26-,27-,28+,29-,30-;/m1./s1
SMILES: C1CN(C(=O)[C@@]23[C@@H]1CC(=O)C[C@@H]2N([C@H](C3)CO)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5
InChI: InChI=1S/C24H26N2O7S2/c27-16-18-15-24-17(11-12-25(23(24)29)34(30,31)20-7-3-1-4-8-20)13-19(28)14-22(24)26(18)35(32,33)21-9-5-2-6-10-21/h1-10,17-18,22,27H,11-16H2/t17-,18+,22-,24-/m0/s1
SMILES: C=CCCCC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/t7-,9-,10+,11-,12+/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C=C(C)C)NC(=O)OC(C)(C)C)O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)N6CCOCC6
InChI: InChI=1S/C46H62N2O16/c1-24(2)20-28(47-40(55)64-42(5,6)7)33(51)39(54)60-29-22-46(57)37(62-38(53)27-14-12-11-13-15-27)35-44(10,30(50)21-31-45(35,23-59-31)63-26(4)49)36(52)34(32(25(29)3)43(46,8)9)61-41(56)48-16-18-58-19-17-48/h11-15,20,28-31,33-35,37,50-51,57H,16-19,21-23H2,1-10H3,(H,47,55)/t28-,29-,30-,31+,33+,34+,35-,37-,44+,45-,46+/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@@H]1[C@H]2C[C@H](C[C@H]2C[C@H]1O)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O
InChI: InChI=1S/C32H46O3Si/c1-5-6-9-14-25(33)19-20-29-30-23-26(21-24(30)22-31(29)34)35-36(32(2,3)4,27-15-10-7-11-16-27)28-17-12-8-13-18-28/h7-8,10-13,15-20,24-26,29-31,33-34H,5-6,9,14,21-23H2,1-4H3/b20-19+/t24-,25-,26-,29+,30-,31+/m0/s1
SMILES: C[C@@]12CCC(=O)C([C@H]1CC[C@]3([C@H]2C[C@H]([C@](O3)(C)C=C)O)C)(C)C
InChI: InChI=1S/C20H32O3/c1-7-19(5)16(22)12-14-18(4)10-9-15(21)17(2,3)13(18)8-11-20(14,6)23-19/h7,13-14,16,22H,1,8-12H2,2-6H3/t13-,14+,16-,18-,19+,20+/m1/s1
SMILES: C/C=C\1/CN[C@H]2C[C@@H]1[C@H](N3C2=C(C4=CC=CC=C43)CCO)C(=O)OC
InChI: InChI=1S/C20H24N2O3/c1-3-12-11-21-16-10-15(12)19(20(24)25-2)22-17-7-5-4-6-13(17)14(8-9-23)18(16)22/h3-7,15-16,19,21,23H,8-11H2,1-2H3/b12-3-/t15-,16-,19-/m0/s1
SMILES: CC1([C@]2([C@@]1([C@H]3[C@@H]2CC=C3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br)C
InChI: InChI=1S/C22H20Br2/c1-20(2)21(14-6-10-16(23)11-7-14)18-4-3-5-19(18)22(20,21)15-8-12-17(24)13-9-15/h3-4,6-13,18-19H,5H2,1-2H3/t18-,19+,21-,22+/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)CC[Se]C2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C19H23NO8Se/c1-11(21)26-16-10-14(18(27-12(2)22)19(16)28-13(3)23)8-9-29-17-7-5-4-6-15(17)20(24)25/h4-7,14,16,18-19H,8-10H2,1-3H3/t14-,16-,18+,19+/m0/s1
SMILES: CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=CC=C(C=C3)OCCOCCN(CC)CC)CCCC
InChI: InChI=1S/C34H54N2O5S/c1-7-11-19-34(20-12-8-2)26-42(38,39)31-18-15-28(35(5)6)25-30(31)32(33(34)37)27-13-16-29(17-14-27)41-24-23-40-22-21-36(9-3)10-4/h13-18,25,32-33,37H,7-12,19-24,26H2,1-6H3/t32-,33-/m1/s1
SMILES: C[C@]12C(=O)CC[C@@]3([C@]14CCN(C3CC5=C4C(=C(C=C5)OC#C)O2)C)OCCCC6=CC=CC=C6
InChI: InChI=1S/C29H31NO4/c1-4-32-22-13-12-21-19-23-29(33-18-8-11-20-9-6-5-7-10-20)15-14-24(31)27(2)28(29,16-17-30(23)3)25(21)26(22)34-27/h1,5-7,9-10,12-13,23H,8,11,14-19H2,2-3H3/t23?,27-,28-,29+/m0/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9)O
InChI: InChI=1S/C46H35ClN2O6/c1-26-10-8-17-35(40(26)50)39-33-22-23-34-38(44(54)48(42(34)52)31-20-18-28(19-21-31)41(51)27-11-4-2-5-12-27)36(33)25-37-43(53)49(32-16-9-15-30(47)24-32)45(55)46(37,39)29-13-6-3-7-14-29/h2-22,24,34,36-39,50H,23,25H2,1H3/t34-,36+,37-,38-,39+,46+/m0/s1
SMILES: C[C@H]1CCC[C@]2([C@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)CC=C)(C)C)O)/C(=C/C3=CSC(=N3)C)/Cl)C
InChI: InChI=1S/C28H40ClNO6S/c1-7-9-19-25(33)16(2)10-8-11-28(6)23(36-28)13-21(20(29)12-18-15-37-17(3)30-18)35-24(32)14-22(31)27(4,5)26(19)34/h7,12,15-16,19,21-23,25,31,33H,1,8-11,13-14H2,2-6H3/b20-12-/t16-,19+,21-,22-,23+,25-,28-/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3[C@@H]([C@@H]([C@@H]([C@H]([C@@H]3O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9
InChI: InChI=1S/C66H72O6Si2/c1-65(2,3)73(55-39-23-11-24-40-55,56-41-25-12-26-42-56)71-63-61(69-49-53-35-19-9-20-36-53)59(67-47-51-31-15-7-16-32-51)60(68-48-52-33-17-8-18-34-52)62(70-50-54-37-21-10-22-38-54)64(63)72-74(66(4,5)6,57-43-27-13-28-44-57)58-45-29-14-30-46-58/h7-46,59-64H,47-50H2,1-6H3/t59-,60+,61-,62-,63+,64+/m1/s1
SMILES: C1[C@H]([C@H](C(C[C@@]1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)OC(=O)C3=CC(=C(C(=C3)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O
InChI: InChI=1S/C28H24O18/c29-12-1-9(2-13(30)20(12)36)25(39)45-23-16(33)5-11(6-17(23)34)26(40)46-22-14(31)3-10(4-15(22)32)24(38)44-19-8-28(43,27(41)42)7-18(35)21(19)37/h1-6,18-19,21,29-37,43H,7-8H2,(H,41,42)/t18-,19?,21-,28+/m1/s1
SMILES: CCCCC(C)(C)[C@H](/C=C/[C@H]1[C@@H](CC(=C)[C@@H]1C/C=C\CCCC(=O)O)O)O
InChI: InChI=1S/C23H38O4/c1-5-6-15-23(3,4)21(25)14-13-19-18(17(2)16-20(19)24)11-9-7-8-10-12-22(26)27/h7,9,13-14,18-21,24-25H,2,5-6,8,10-12,15-16H2,1,3-4H3,(H,26,27)/b9-7-,14-13+/t18-,19+,20+,21-/m0/s1
SMILES: CC1=C(C2=C(C=C1)[C@]3([C@H]4[C@@H]([C@H]([NH2+]3)CCC(=O)[O-])C(=O)N(C4=O)CC5=CC=CC=C5Cl)C(=O)N2)C
InChI: InChI=1S/C25H24ClN3O5/c1-12-7-8-15-21(13(12)2)27-24(34)25(15)20-19(17(28-25)9-10-18(30)31)22(32)29(23(20)33)11-14-5-3-4-6-16(14)26/h3-8,17,19-20,28H,9-11H2,1-2H3,(H,27,34)(H,30,31)/t17-,19-,20+,25+/m1/s1
SMILES: CCOC1=CC=CC=C1NC(=O)COC(=O)CN2C(=O)[C@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C21H27N3O6/c1-3-29-16-10-5-4-9-15(16)22-17(25)13-30-18(26)12-24-19(27)21(23-20(24)28)11-7-6-8-14(21)2/h4-5,9-10,14H,3,6-8,11-13H2,1-2H3,(H,22,25)(H,23,28)/t14-,21+/m0/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)C)C(=O)N(C4=O)C6=CC=CC=C6)O
InChI: InChI=1S/C30H25NO5/c1-15-7-6-10-19(27(15)33)24-18-11-12-20-25(30(36)31(29(20)35)17-8-4-3-5-9-17)21(18)14-22-26(24)23(32)13-16(2)28(22)34/h3-11,13,20-21,24-25,33H,12,14H2,1-2H3/t20-,21+,24+,25-/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C(C(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/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35?,36?,37+,38-,40-,45+,46-,47+/m0/s1
SMILES: CCO[C@H]1[C@@H](CC(=O)O1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)C3=C(C(=CC=C3)N)C
InChI: InChI=1S/C24H34N4O6/c1-5-33-24-17(12-19(29)34-24)26-22(31)18-10-7-11-28(18)23(32)20(13(2)3)27-21(30)15-8-6-9-16(25)14(15)4/h6,8-9,13,17-18,20,24H,5,7,10-12,25H2,1-4H3,(H,26,31)(H,27,30)/t17-,18+,20+,24-/m1/s1
SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)O
InChI: InChI=1S/C28H32O17/c1-40-13-4-9(2-3-11(13)32)24-26(19(35)17-12(33)5-10(31)6-14(17)41-24)45-28-23(39)21(37)25(16(8-30)43-28)44-27-22(38)20(36)18(34)15(7-29)42-27/h2-6,15-16,18,20-23,25,27-34,36-39H,7-8H2,1H3/t15-,16-,18+,20+,21-,22-,23-,25-,27+,28+/m1/s1
SMILES: C=CCC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)[N+](=O)[O-])O
InChI: InChI=1S/C35H22Cl2F5N3O7/c1-2-4-14-5-3-6-19(29(14)46)22-17-11-12-18-21(31(48)43(30(18)47)15-7-9-16(10-8-15)45(51)52)20(17)13-34(36)32(49)44(33(50)35(22,34)37)28-26(41)24(39)23(38)25(40)27(28)42/h2-3,5-11,18,20-22,46H,1,4,12-13H2/t18-,20+,21-,22+,34+,35-/m0/s1
SMILES: CN1CC[C@H]([C@H](C1)COC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4.Cl
InChI: InChI=1S/C20H23NO3.ClH/c1-21-10-9-18(15-5-3-2-4-6-15)16(12-21)13-22-17-7-8-19-20(11-17)24-14-23-19;/h2-8,11,16,18H,9-10,12-14H2,1H3;1H/t16-,18+;/m1./s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](C(=O)N(C1=O)CC2=CC=CC=C2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H39NO4Si2/c1-22(2,3)29(7,8)27-18-19(28-30(9,10)23(4,5)6)21(26)24(20(18)25)16-17-14-12-11-13-15-17/h11-15,18-19H,16H2,1-10H3/t18-,19-/m1/s1
SMILES: CCCC(=O)CC(=O)N1C(=O)N([C@@]2([C@]1(NC(=O)N2C)C)C)C
InChI: InChI=1S/C14H22N4O4/c1-6-7-9(19)8-10(20)18-12(22)17(5)14(3)13(18,2)15-11(21)16(14)4/h6-8H2,1-5H3,(H,15,21)/t13-,14+/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)CCCCCC(=O)O)Cl)O
InChI: InChI=1S/C33H30Cl3FN2O8/c1-47-23-14-16(13-22(34)27(23)42)26-19-10-11-20-25(29(44)38(28(20)43)12-4-2-3-5-24(40)41)21(19)15-32(35)30(45)39(31(46)33(26,32)36)18-8-6-17(37)7-9-18/h6-10,13-14,20-21,25-26,42H,2-5,11-12,15H2,1H3,(H,40,41)/t20-,21+,25-,26-,32+,33-/m0/s1
SMILES: C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2[C@H]3[C@@H](O3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C29H32O2/c30-27(25-20-11-6-12-21-25)29-28(31-29)26-22-14-13-19-24(26)18-10-4-2-1-3-7-15-23-16-8-5-9-17-23/h5-6,8-9,11-14,16-17,19-22,28-29H,1-4,7,10,15,18H2/t28-,29-/m0/s1
SMILES: CN(C1=C(C=CC2=C1CC[C@H]([C@@H]2O)NC3CCCCC3)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C32H38N2O4/c1-34(32(36)38-22-24-13-7-3-8-14-24)30-26-17-19-28(33-25-15-9-4-10-16-25)31(35)27(26)18-20-29(30)37-21-23-11-5-2-6-12-23/h2-3,5-8,11-14,18,20,25,28,31,33,35H,4,9-10,15-17,19,21-22H2,1H3/t28-,31-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)N2CCN(CC2)C3=CC(=CC=C3)OC
InChI: InChI=1S/C22H35N3O2/c1-16-7-5-10-21(17(16)2)23-22(26)18(3)24-11-13-25(14-12-24)19-8-6-9-20(15-19)27-4/h6,8-9,15-18,21H,5,7,10-14H2,1-4H3,(H,23,26)/t16-,17-,18-,21-/m1/s1
SMILES: CC1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@H](O2)OC)NC(=O)OCC3=CC=CC=C3)OC)C
InChI: InChI=1S/C19H27NO7/c1-19(2)25-11-13-15(27-19)16(22-3)14(17(23-4)26-13)20-18(21)24-10-12-8-6-5-7-9-12/h5-9,13-17H,10-11H2,1-4H3,(H,20,21)/t13-,14-,15-,16-,17+/m1/s1
SMILES: C[C@H]1CC[C@@H]2[C@H](C[C@@H]3[C@]24[C@@]1(CC(=C3)C)C(=O)C(=C(C4=O)C)OC(C)(C)C)C
InChI: InChI=1S/C24H34O3/c1-13-10-17-11-14(2)18-9-8-15(3)23(12-13)21(26)19(27-22(5,6)7)16(4)20(25)24(17,18)23/h10,14-15,17-18H,8-9,11-12H2,1-7H3/t14-,15-,17+,18+,23+,24-/m0/s1
SMILES: CCCCCCCCCCCCCCCCS[C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC(=O)NCC5=CC=CC=C5)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C55H84N2O7S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-27-37-65-50-40-48(57-64-54(3,4)5)46-38-43(30-23-25-34-58)45(31-24-26-35-59)51-47-39-44(62-53(60)56-41-42-28-21-20-22-29-42)32-33-49(47)63-55(50,52(46)51)61-36-7-2/h7,20-22,28-29,32-33,38-39,43,45,50-52,58-59H,2,6,8-19,23-27,30-31,34-37,40-41H2,1,3-5H3,(H,56,60)/t43-,45+,50-,51+,52+,55+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=C(C=C6)O)OC)C7=CC=C(C=C7)Cl)NC8=C(C=C(C=N8)C(F)(F)F)Cl)Cl
InChI: InChI=1S/C40H30Cl3F3N4O6/c1-18-3-8-22(14-29(18)42)49-35(52)26-12-11-24-27(32(26)37(49)54)16-28-36(53)50(48-34-30(43)13-20(17-47-34)40(44,45)46)38(55)39(28,19-4-6-21(41)7-5-19)33(24)25-10-9-23(51)15-31(25)56-2/h3-11,13-15,17,26-28,32-33,51H,12,16H2,1-2H3,(H,47,48)/t26-,27+,28-,32-,33+,39+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N(C)C
InChI: InChI=1S/C16H23BrN2O3S/c1-11-6-4-5-7-14(11)18-16(20)12-8-9-13(17)15(10-12)23(21,22)19(2)3/h8-11,14H,4-7H2,1-3H3,(H,18,20)/t11-,14-/m1/s1
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N\NC3=NC4=C(N=CN=C4N3[C@@H]5[C@H]([C@H]([C@@H](O5)CO)O)O)N
InChI: InChI=1S/C24H25N7O5/c25-21-18-22(27-13-26-21)31(23-20(34)19(33)17(11-32)36-23)24(29-18)30-28-10-14-6-8-16(9-7-14)35-12-15-4-2-1-3-5-15/h1-10,13,17,19-20,23,32-34H,11-12H2,(H,29,30)(H2,25,26,27)/b28-10-/t17-,19-,20-,23-/m0/s1
SMILES: CCC(C)CC(C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@@H]([C@@]1(O2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCC(=C)C(C(C)CC3=CC=CC=C3)OC(=O)C)O
InChI: InChI=1S/C47H70O13/c1-16-28(2)26-29(3)22-23-34(49)55-39-38(50)46(25-24-30(4)36(54-32(6)48)31(5)27-33-20-18-17-19-21-33)56-37(41(52)58-44(10,11)12)35(40(51)57-43(7,8)9)47(39,60-46)42(53)59-45(13,14)15/h17-23,28-29,31,35-39,50H,4,16,24-27H2,1-3,5-15H3/b23-22+/t28?,29?,31?,35-,36?,37+,38-,39-,46+,47+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)N[C@H]3CCCC4=CC=CC=C34
InChI: InChI=1S/C21H26N2O3/c24-19(22-18-11-5-7-14-6-1-2-8-15(14)18)12-13-23-20(25)16-9-3-4-10-17(16)21(23)26/h1-2,6,8,16-18H,3-5,7,9-13H2,(H,22,24)/t16-,17+,18-/m0/s1
SMILES: CCOC1=CC=C(C=C1)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)OC(C)C
InChI: InChI=1S/C19H25NO4/c1-4-23-15-11-9-14(10-12-15)20-18(21)16-7-5-6-8-17(16)19(22)24-13(2)3/h5-6,9-13,16-17H,4,7-8H2,1-3H3,(H,20,21)/t16-,17+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@H]([C@@H]1CC[C@@H]2[C@@]4(CCC(=O)O4)C)CC=C5[C@@]3(CC[C@@H](C5)O)C
InChI: InChI=1S/C24H36O3/c1-22-11-8-16(25)14-15(22)4-5-17-18-6-7-20(23(18,2)12-9-19(17)22)24(3)13-10-21(26)27-24/h4,16-20,25H,5-14H2,1-3H3/t16-,17-,18-,19+,20-,22-,23-,24-/m0/s1
SMILES: C[C@H]1[C@@H]2CC[C@]3(C(=O)C=CC(=C3[C@H]2OC1=O)C)C
InChI: InChI=1S/C15H18O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4-5,9-10,13H,6-7H2,1-3H3/t9-,10-,13-,15-/m0/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C18H12Cl2N2O3/c19-11-6-7-12(13(20)8-11)15-14-16(25-21-15)18(24)22(17(14)23)9-10-4-2-1-3-5-10/h1-8,14,16H,9H2/t14-,16+/m1/s1
SMILES: CC[C@@H]1[C@@H](C(=O)N[C@H]([C@H](OC/C=C\CO1)CC)CC2=CC=CC=C2)CC3=CC=CC=C3
InChI: InChI=1S/C27H35NO3/c1-3-25-23(19-21-13-7-5-8-14-21)27(29)28-24(20-22-15-9-6-10-16-22)26(4-2)31-18-12-11-17-30-25/h5-16,23-26H,3-4,17-20H2,1-2H3,(H,28,29)/b12-11-/t23-,24-,25+,26+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OCCN1[C@H]2C(=CCC[C@@]2(C3=CC4=CC=CC=C4N3S(=O)(=O)C5=CC=C(C=C5)OC)C(=O)OC)CCC1=O
InChI: InChI=1S/C34H44N2O7SSi/c1-33(2,3)45(6,7)43-22-21-35-30(37)19-14-24-12-10-20-34(31(24)35,32(38)42-5)29-23-25-11-8-9-13-28(25)36(29)44(39,40)27-17-15-26(41-4)16-18-27/h8-9,11-13,15-18,23,31H,10,14,19-22H2,1-7H3/t31-,34-/m0/s1
SMILES: COC(=N)C1=CN(C2=NC=NC(=C12)N)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F
InChI: InChI=1S/C13H16FN5O4/c1-22-11(16)5-2-19(12-7(5)10(15)17-4-18-12)13-8(14)9(21)6(3-20)23-13/h2,4,6,8-9,13,16,20-21H,3H2,1H3,(H2,15,17,18)/t6-,8+,9-,13-/m1/s1