EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)[C@@H]1C2=C[C@@H]3[C@@H]4[C@@](C2=CC(=O)O1)(CCC[C@@]4(C(=O)O3)C)C
InChI: InChI=1S/C19H24O4/c1-10(2)15-11-8-13-16-18(3,12(11)9-14(20)23-15)6-5-7-19(16,4)17(21)22-13/h8-10,13,15-16H,5-7H2,1-4H3/t13-,15-,16-,18-,19+/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20?,22+,23+,24-/m1/s1
SMILES: C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C=C[C@]4(C5(SCCCS5)C)O)C)O
InChI: InChI=1S/C24H38O2S2/c1-21-10-7-17(25)15-16(21)5-6-18-19(21)8-11-22(2)20(18)9-12-24(22,26)23(3)27-13-4-14-28-23/h9,12,16-20,25-26H,4-8,10-11,13-15H2,1-3H3/t16-,17-,18-,19+,20+,21+,22+,24+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCN(C)C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CN(C)CCCCCCCCCCCCCCCCC)O)O)O)O)O)O
InChI: InChI=1S/C48H96N2O9/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-49(3)37-39-41(51)43(53)45(55)47(57-39)59-48-46(56)44(54)42(52)40(58-48)38-50(4)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h39-48,51-56H,5-38H2,1-4H3/t39-,40-,41-,42-,43+,44+,45-,46-,47-,48?/m1/s1
SMILES: CCCCCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(CC(=O)OCC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3)CO)O)OC(=O)CCCCCCCCCCCCC
InChI: InChI=1S/C53H83NO11/c1-3-5-7-9-11-13-15-17-19-21-29-35-46(56)54-50-52(65-47(57)36-30-22-20-18-16-14-12-10-8-6-4-2)51(60)45(39-55)64-53(50)63-44(37-48(58)61-40-42-31-25-23-26-32-42)38-49(59)62-41-43-33-27-24-28-34-43/h23-28,31-34,44-45,50-53,55,60H,3-22,29-30,35-41H2,1-2H3,(H,54,56)/t45-,50-,51-,52-,53+/m1/s1
SMILES: CC1=CC2=C(C=C1)N(C([C@@H]3[C@H]2C(=S)SS3)(C)C)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]
InChI: InChI=1S/C20H17ClN2O3S3/c1-10-4-7-14-12(8-10)16-17(28-29-19(16)27)20(2,3)22(14)18(24)11-5-6-13(21)15(9-11)23(25)26/h4-9,16-17H,1-3H3/t16-,17-/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)[C@]2(C[C@@H](C3=C(C2)C(=C4C(=C3O)C(=O)C5=C(C4=O)C=CC=C5OC)O)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O)N)O)OCCCCCCCCCCCCCCCCCC
InChI: InChI=1S/C70H105NO14/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42-81-54-41-40-50(44-56(54)82-43-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)69(78)83-48-58(72)70(79)46-52-61(57(47-70)85-59-45-53(71)64(73)49(3)84-59)68(77)63-62(66(52)75)65(74)51-38-37-39-55(80-4)60(51)67(63)76/h37-41,44,49,53,57,59,64,73,75,77,79H,5-36,42-43,45-48,71H2,1-4H3/t49-,53-,57-,59-,64+,70-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)P(C2=CC=CO2)C3=CC=CO3)P(C4=CC=CO4)C5=CC=CO5
InChI: InChI=1S/C22H22O4P2/c1-2-8-18(28(21-11-5-15-25-21)22-12-6-16-26-22)17(7-1)27(19-9-3-13-23-19)20-10-4-14-24-20/h3-6,9-18H,1-2,7-8H2/t17-,18-/m1/s1
SMILES: CC[C@@H]1[C@@H](C[C@H]([C@@H]2[C@@H](C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)C
InChI: InChI=1S/C37H67NO10/c1-14-27-19(2)15-20(3)30-21(4)17-37(10,48-30)33(47-35-29(39)26(38(11)12)16-22(5)43-35)23(6)31(24(7)34(41)45-27)46-28-18-36(9,42-13)32(40)25(8)44-28/h19-33,35,39-40H,14-18H2,1-13H3/t19-,20-,21-,22-,23+,24-,25+,26+,27-,28?,29-,30-,31+,32+,33-,35+,36-,37-/m1/s1
SMILES: C[C@H]1CC2=NC(=C([C@@H]([C@H]2C(=O)C1)C3=CC(=CC=C3)OC)C(=O)NC4=CC=CC(=N4)C)C
InChI: InChI=1S/C25H27N3O3/c1-14-11-19-24(20(29)12-14)23(17-8-6-9-18(13-17)31-4)22(16(3)27-19)25(30)28-21-10-5-7-15(2)26-21/h5-10,13-14,23-24H,11-12H2,1-4H3,(H,26,28,30)/t14-,23-,24+/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C6=CC=C(C7=CC=CC=C67)O)C(=O)C=C(C5=O)Br
InChI: InChI=1S/C34H24BrNO6/c1-16(37)17-6-8-18(9-7-17)36-33(41)23-11-10-22-24(30(23)34(36)42)14-25-31(28(39)15-26(35)32(25)40)29(22)21-12-13-27(38)20-5-3-2-4-19(20)21/h2-10,12-13,15,23-24,29-30,38H,11,14H2,1H3/t23-,24+,29-,30-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC(=O)O2)CCC4=CC(=O)C[C@]34C
InChI: InChI=1S/C18H24O3/c1-17-10-12(19)9-11(17)3-4-13-14(17)7-8-18(2)15(13)5-6-16(20)21-18/h9,13-15H,3-8,10H2,1-2H3/t13-,14+,15+,17+,18+/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)CN5C(=O)CC(C5=O)NC(=O)OCC6=CC=CC=C6)CSC7=NN=NN7C
InChI: InChI=1S/C40H40N6O7S/c1-25-34(24-54-39-42-43-44-45(39)2)52-38(53-36(25)29-16-14-26(22-47)15-17-29)32-13-7-12-31(19-32)30-11-6-10-28(18-30)21-46-35(48)20-33(37(46)49)41-40(50)51-23-27-8-4-3-5-9-27/h3-19,25,33-34,36,38,47H,20-24H2,1-2H3,(H,41,50)/t25-,33?,34+,36+,38+/m0/s1
SMILES: CC12[C@H]3[C@@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=C(C=C6)C(=O)[O-]
InChI: InChI=1S/C26H19NO4/c1-26-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)26)21-22(26)24(29)27(23(21)28)15-12-10-14(11-13-15)25(30)31/h2-13,20-22H,1H3,(H,30,31)/p-1/t20?,21-,22+,26?/m1/s1
SMILES: CC1=NC(=CC=C1)COC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC(C)(C)C)C5=C[C@@H]([C@H]([C@H]3[C@@H]54)CCCCO)CCCCO)N(CCOCCO)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-])OCC=C
InChI: InChI=1S/C49H64N4O12/c1-6-26-62-49-44(52(22-27-60-28-25-56)47(57)63-37-18-16-36(17-19-37)53(58)59)31-42(51-65-48(3,4)5)40-29-34(13-7-9-23-54)39(15-8-10-24-55)45(46(40)49)41-30-38(20-21-43(41)64-49)61-32-35-14-11-12-33(2)50-35/h6,11-12,14,16-21,29-30,34,39,44-46,54-56H,1,7-10,13,15,22-28,31-32H2,2-5H3/t34-,39+,44-,45+,46+,49+/m0/s1
SMILES: CCOC(=O)CC1[C@@H]2[C@H](C3=C(N2C(=O)[C@@H](N1C(=O)CC4=CC=CC=C4)C(C)C)C=CC(=C3)OCCCO)NC(=O)C5=CC(=C(C=C5)OC)OC
InChI: InChI=1S/C38H45N3O9/c1-6-49-33(44)22-29-36-34(39-37(45)25-13-16-30(47-4)31(20-25)48-5)27-21-26(50-18-10-17-42)14-15-28(27)41(36)38(46)35(23(2)3)40(29)32(43)19-24-11-8-7-9-12-24/h7-9,11-16,20-21,23,29,34-36,42H,6,10,17-19,22H2,1-5H3,(H,39,45)/t29?,34-,35-,36+/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)C(=C)C3=CC=CC=C3)O
InChI: InChI=1S/C17H17NO4/c1-9(11-6-4-3-5-7-11)12-8-13-14(10(2)19)16(20)18(13)15(12)17(21)22/h3-7,10,13-14,19H,1,8H2,2H3,(H,21,22)/t10-,13-,14-/m1/s1
SMILES: CCCCCCCCNC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
InChI: InChI=1S/C36H63NO2/c1-7-8-9-10-11-12-24-37-34(38)39-29-20-22-35(5)28(25-29)16-17-30-32-19-18-31(27(4)15-13-14-26(2)3)36(32,6)23-21-33(30)35/h16,26-27,29-33H,7-15,17-25H2,1-6H3,(H,37,38)/t27-,29+,30+,31-,32+,33+,35+,36-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H]2C=C[C@@]([C@H]1C(=O)OCC)(C(=O)[C@@]2(CSC)OC)OC
InChI: InChI=1S/C18H26O7S/c1-6-24-14(19)12-11-8-9-17(22-3,13(12)15(20)25-7-2)16(21)18(11,23-4)10-26-5/h8-9,11-13H,6-7,10H2,1-5H3/t11-,12+,13-,17-,18+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]([C@H]1C[C@H]2[C@@H](O1)C[C@H](O2)[C@@H](CO[Si](C)(C)C(C)(C)C)O)O
InChI: InChI=1S/C22H46O6Si2/c1-21(2,3)29(7,8)25-13-15(23)17-11-19-20(27-17)12-18(28-19)16(24)14-26-30(9,10)22(4,5)6/h15-20,23-24H,11-14H2,1-10H3/t15-,16+,17+,18-,19-,20-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]([C@@H](C2)NOCC3=CC=CC=C3)CSC4=CC=CC=C4
InChI: InChI=1S/C25H28N2O3S2/c1-20-12-14-24(15-13-20)32(28,29)27-16-22(19-31-23-10-6-3-7-11-23)25(17-27)26-30-18-21-8-4-2-5-9-21/h2-15,22,25-26H,16-19H2,1H3/t22-,25-/m1/s1
SMILES: C1[C@H]([C@]1(C#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C16H13NO2S/c17-12-16(13-7-3-1-4-8-13)11-15(16)20(18,19)14-9-5-2-6-10-14/h1-10,15H,11H2/t15-,16-/m1/s1
SMILES: CC1=CC[C@@H]([C@@H]/2[C@H]1C[C@@H](C3(C=CC(O3)(/C(=C2)/CO[C@H]4[C@H]([C@@H]([C@@H](CO4)O)OC(=O)C)OC(=O)C)O)C)OC(=O)/C=C/C5=CN(C=N5)C)C(C)C
InChI: InChI=1S/C36H48N2O11/c1-20(2)26-10-8-21(3)27-15-30(48-31(42)11-9-25-16-38(7)19-37-25)35(6)12-13-36(43,49-35)24(14-28(26)27)17-44-34-33(47-23(5)40)32(46-22(4)39)29(41)18-45-34/h8-9,11-14,16,19-20,26-30,32-34,41,43H,10,15,17-18H2,1-7H3/b11-9+,24-14-/t26-,27+,28-,29-,30+,32-,33+,34-,35?,36?/m1/s1
SMILES: CC1CC[C@@]2([C@@H](OC(=O)O2)[C@H]3[C@]([C@H](C[C@@H]4[C@]3(CO4)OCC5=CC=CC=C5)O[Si](C)(C)C(C)(C)C)(C)CC(OC)OC)C(C1=O)(C)C
InChI: InChI=1S/C36H56O9Si/c1-23-17-18-36(33(5,6)29(23)37)30(43-31(38)44-36)28-34(7,20-27(39-8)40-9)25(45-46(10,11)32(2,3)4)19-26-35(28,22-41-26)42-21-24-15-13-12-14-16-24/h12-16,23,25-28,30H,17-22H2,1-11H3/t23?,25-,26+,28-,30-,34+,35-,36+/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@H]1CCCCCCC(=O)OC)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C33H66O5Si2/c1-13-14-17-20-26(37-39(9,10)32(2,3)4)23-24-28-27(21-18-15-16-19-22-31(35)36-8)29(34)25-30(28)38-40(11,12)33(5,6)7/h23-24,26-30,34H,13-22,25H2,1-12H3/b24-23+/t26-,27-,28+,29-,30+/m0/s1
SMILES: C[C@H]1CC2=CC=CC=C2N1C(=O)CSC3=NN=C(N3[C@@H](C)[C@@H]4C[C@@H]5CC[C@@H]4C5)COC6=CC=CC=C6F
InChI: InChI=1S/C29H33FN4O2S/c1-18-13-22-7-3-5-9-25(22)33(18)28(35)17-37-29-32-31-27(16-36-26-10-6-4-8-24(26)30)34(29)19(2)23-15-20-11-12-21(23)14-20/h3-10,18-21,23H,11-17H2,1-2H3/t18-,19-,20+,21+,23-/m0/s1
SMILES: CC(C)(C)C(=O)O[C@H]1C[C@H](O[C@@H]([C@H]1OC(=O)C(C)(C)C)N2C=C(C3=CC=CC=C32)CC#N)COC(=O)C4=CC=CC=C4
InChI: InChI=1S/C33H38N2O7/c1-32(2,3)30(37)41-26-18-23(20-39-29(36)21-12-8-7-9-13-21)40-28(27(26)42-31(38)33(4,5)6)35-19-22(16-17-34)24-14-10-11-15-25(24)35/h7-15,19,23,26-28H,16,18,20H2,1-6H3/t23-,26-,27-,28-/m0/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC(=O)CN2N=C(N=N2)C3=CC=CC=C3)C(C)C
InChI: InChI=1S/C19H26N4O2/c1-13(2)16-10-9-14(3)11-17(16)25-18(24)12-23-21-19(20-22-23)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3/t14-,16-,17+/m0/s1
SMILES: C[C@@H]1[C@@H](C[C@@H]2[C@@]([C@H]1CCO)(CCCC2(C)C)C)O
InChI: InChI=1S/C16H30O2/c1-11-12(6-9-17)16(4)8-5-7-15(2,3)14(16)10-13(11)18/h11-14,17-18H,5-10H2,1-4H3/t11-,12-,13+,14-,16+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H]([C@@H](OC1=O)C(Cl)(Cl)Cl)C(C)(C)F
InChI: InChI=1S/C11H14Cl3FO4/c1-4-18-8(16)5-6(10(2,3)15)7(11(12,13)14)19-9(5)17/h5-7H,4H2,1-3H3/t5-,6+,7+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@]2(CC3=C1N=C(S3)NC4=CC=CC=C4)C)[C@H](C)C(=O)N5CCCC5)O
InChI: InChI=1S/C26H35N3O2S/c1-16(24(31)29-13-7-8-14-29)19-11-12-26(3)15-20-22(17(2)21(26)23(19)30)28-25(32-20)27-18-9-5-4-6-10-18/h4-6,9-10,16-17,19,21,23,30H,7-8,11-15H2,1-3H3,(H,27,28)/t16-,17-,19+,21+,23-,26-/m0/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=C8)O)C(=O)N(C7=O)C)C
InChI: InChI=1S/C35H31ClN4O5S/c1-16-22-13-18(36)8-11-26(22)46-30(16)25-15-27(39(4)37-25)40-32(43)24-14-23-20(9-10-21-28(23)33(44)38(3)31(21)42)29(35(24,2)34(40)45)17-6-5-7-19(41)12-17/h5-9,11-13,15,21,23-24,28-29,41H,10,14H2,1-4H3/t21-,23+,24-,28-,29-,35+/m0/s1
SMILES: C[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1OCC2=CC=C(C=C2)OC)C)C#N)CCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C34H43NO4Si/c1-25-31(39-32(23-35)26(2)33(25)37-24-27-17-19-28(36-6)20-18-27)21-22-38-40(34(3,4)5,29-13-9-7-10-14-29)30-15-11-8-12-16-30/h7-20,25-26,31-33H,21-22,24H2,1-6H3/t25-,26-,31+,32+,33-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)COC2=CC=CC=C2Cl
InChI: InChI=1S/C18H24ClNO4/c1-12-6-5-8-15(13(12)2)20-17(21)10-24-18(22)11-23-16-9-4-3-7-14(16)19/h3-4,7,9,12-13,15H,5-6,8,10-11H2,1-2H3,(H,20,21)/t12-,13+,15-/m1/s1
SMILES: CC1=CC(=C(C(=C1)C)COC2=CC=CC(=C2OC)[C@@H]3[C@@H]4CCCC=C4C(=C(C3(C#N)C#N)N)C#N)C
InChI: InChI=1S/C30H30N4O2/c1-18-12-19(2)25(20(3)13-18)15-36-26-11-7-10-23(28(26)35-4)27-22-9-6-5-8-21(22)24(14-31)29(34)30(27,16-32)17-33/h7-8,10-13,22,27H,5-6,9,15,34H2,1-4H3/t22-,27+/m1/s1
SMILES: CC1=NN(C(=O)NC1=O)C2[C@@H]([C@@H]([C@H](S2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)I
InChI: InChI=1S/C23H24IN3O4S/c1-15-21(28)25-23(29)27(26-15)22-19(24)20(31-13-17-10-6-3-7-11-17)18(32-22)14-30-12-16-8-4-2-5-9-16/h2-11,18-20,22H,12-14H2,1H3,(H,25,28,29)/t18-,19-,20-,22?/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=CC(=C(C(=C6)I)O)OC)C(=O)N(C5=O)C7=CC=CC(=C7)C(=O)O)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C41H32Cl2IN3O9/c1-55-24-9-6-21(7-10-24)41-28(37(50)47(40(41)54)45-31-13-8-22(42)17-29(31)43)18-27-25(34(41)20-15-30(44)35(48)32(16-20)56-2)11-12-26-33(27)38(51)46(36(26)49)23-5-3-4-19(14-23)39(52)53/h3-11,13-17,26-28,33-34,45,48H,12,18H2,1-2H3,(H,52,53)/t26-,27+,28-,33-,34-,41+/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)[C@H](CO)N)O)O)N
InChI: InChI=1S/C13H19N6O9P/c14-5(1-20)13(23)28-29(24,25)26-2-6-8(21)9(22)12(27-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-22H,1-2,14H2,(H,24,25)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1
SMILES: CN1C(=O)N[C@H]([C@H]([C@]1(C(F)(F)F)O)C(=O)C2=CC=CS2)C3=CC(=CC=C3)C(F)(F)F
InChI: InChI=1S/C18H14F6N2O3S/c1-26-15(28)25-13(9-4-2-5-10(8-9)17(19,20)21)12(16(26,29)18(22,23)24)14(27)11-6-3-7-30-11/h2-8,12-13,29H,1H3,(H,25,28)/t12-,13-,16+/m0/s1
SMILES: CCOC1=CC=CC=C1N2C(=O)[C@@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C(=O)O
InChI: InChI=1S/C27H21NO5/c1-2-33-20-14-8-7-13-19(20)28-24(29)22-21-15-9-3-5-11-17(15)27(26(31)32,23(22)25(28)30)18-12-6-4-10-16(18)21/h3-14,21-23H,2H2,1H3,(H,31,32)/t21?,22-,23-,27?/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2C[C@H]([C@@]4([C@@]3(CCC[C@@H]4O)C)NC(=O)C)OC(=O)C)C
InChI: InChI=1S/C31H53NO4/c1-19(2)10-8-11-20(3)24-13-14-25-23-18-28(36-22(5)34)31(32-21(4)33)27(35)12-9-16-30(31,7)26(23)15-17-29(24,25)6/h19-20,23-28,35H,8-18H2,1-7H3,(H,32,33)/t20-,23-,24-,25+,26-,27+,28-,29-,30-,31+/m1/s1
SMILES: C1[C@@H]2[C@@H](CS1(=O)=O)SC(=NC(=O)CCCC(=O)O)N2C3=CC=CC=C3F
InChI: InChI=1S/C16H17FN2O5S2/c17-10-4-1-2-5-11(10)19-12-8-26(23,24)9-13(12)25-16(19)18-14(20)6-3-7-15(21)22/h1-2,4-5,12-13H,3,6-9H2,(H,21,22)/t12-,13-/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CCSC3=C(C=CC(=C3)Cl)Cl
InChI: InChI=1S/C17H20Cl2N2O2S/c1-11-4-2-3-7-17(11)15(22)21(16(23)20-17)8-9-24-14-10-12(18)5-6-13(14)19/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,23)/t11-,17-/m0/s1
SMILES: C1[C@H]([C@H](S[C@H]1N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)F
InChI: InChI=1S/C28H25FN2O3S/c29-23-18-26(31-17-16-25(32)30-27(31)33)35-24(23)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26H,18-19H2,(H,30,32,33)/t23-,24-,26-/m1/s1
SMILES: CC1=CC=C(C=C1)S[C@@H]2CCCO[C@H]2C(C)(C)C(CC(=C)C)OC
InChI: InChI=1S/C21H32O2S/c1-15(2)14-19(22-6)21(4,5)20-18(8-7-13-23-20)24-17-11-9-16(3)10-12-17/h9-12,18-20H,1,7-8,13-14H2,2-6H3/t18-,19?,20-/m1/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)CC6=CC=CS6)Cl)O
InChI: InChI=1S/C28H21BrClNO6S/c1-37-21-8-12(7-19(30)26(21)34)22-14-4-5-15-23(28(36)31(27(15)35)11-13-3-2-6-38-13)16(14)9-17-24(22)20(32)10-18(29)25(17)33/h2-4,6-8,10,15-16,22-23,34H,5,9,11H2,1H3/t15-,16+,22-,23-/m0/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3Cl)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C32H25ClN4O7/c1-32(44-30(40)22-15-9-4-10-16-22)25(43-29(39)21-13-7-3-8-14-21)23(17-41-28(38)20-11-5-2-6-12-20)42-31(32)37-19-36-24-26(33)34-18-35-27(24)37/h2-16,18-19,23,25,31H,17H2,1H3/t23-,25-,31-,32-/m1/s1
SMILES: CCOC(=O)/C=C/C[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2OCC3=CC=CC=C3)C
InChI: InChI=1S/C25H36O3/c1-4-27-24(26)14-8-10-19(2)21-15-16-22-23(13-9-17-25(21,22)3)28-18-20-11-6-5-7-12-20/h5-8,11-12,14,19,21-23H,4,9-10,13,15-18H2,1-3H3/b14-8+/t19-,21-,22+,23+,25-/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H]([C@@H]1[C@H](OC(O1)(C)C)[C@@H]2COC(O2)(C)C)C3=NC=CS3
InChI: InChI=1S/C20H35NO5SSi/c1-8-28(9-2,10-3)26-17(18-21-11-12-27-18)16-15(24-20(6,7)25-16)14-13-22-19(4,5)23-14/h11-12,14-17H,8-10,13H2,1-7H3/t14-,15+,16-,17-/m0/s1
SMILES: CCCCCCN1C(=O)[C@H](C(=O)NC1=O)C=N[C@@H]2CCCC[C@@H]2N
InChI: InChI=1S/C17H28N4O3/c1-2-3-4-7-10-21-16(23)12(15(22)20-17(21)24)11-19-14-9-6-5-8-13(14)18/h11-14H,2-10,18H2,1H3,(H,20,22,24)/t12-,13-,14+/m0/s1
SMILES: C[C@@H]([C@H](C(=O)NCCO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=CC=C3C=CC(=O)O[C@H]4C(=O)OCC4(C)C)OC(O2)(C5=CC=CC=C5)C6=CC=CC=C6)O
InChI: InChI=1S/C42H44N2O12/c1-25(46)34(38(49)43-20-21-45)44-37(48)27-22-31(35-32(23-27)55-42(56-35,28-13-6-4-7-14-28)29-15-8-5-9-16-29)53-39(50)30-17-11-10-12-26(30)18-19-33(47)54-36-40(51)52-24-41(36,2)3/h4-19,23,25,31-32,34-36,45-46H,20-22,24H2,1-3H3,(H,43,49)(H,44,48)/t25-,31+,32+,34+,35-,36-/m0/s1
SMILES: C1CC[C@H]([C@H](C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)[O-]
InChI: InChI=1S/C22H25NO3/c24-21(19-13-7-8-14-20(19)22(25)26)23(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2,(H,25,26)/p-1/t19-,20+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC4=CC=CC=C4OC)OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H25N5O8/c1-12(29)33-9-17-19(34-13(2)30)20(35-14(3)31)23(36-17)28-11-26-18-21(24-10-25-22(18)28)27-15-7-5-6-8-16(15)32-4/h5-8,10-11,17,19-20,23H,9H2,1-4H3,(H,24,25,27)/t17-,19-,20-,23-/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)C4=CC=CC(=C4)CNC(=O)OCC=C)CN5CCC(CC5)N6C7=CC=CC=C7NC6=O
InChI: InChI=1S/C42H46N4O6/c1-3-23-50-42(49)43-25-30-7-6-8-34(24-30)31-15-17-33(18-16-31)40-51-38(28(2)39(52-40)32-13-11-29(27-47)12-14-32)26-45-21-19-35(20-22-45)46-37-10-5-4-9-36(37)44-41(46)48/h3-18,24,28,35,38-40,47H,1,19-23,25-27H2,2H3,(H,43,49)(H,44,48)/t28-,38+,39+,40+/m0/s1
SMILES: CC1[C@H]2[C@@H](C[C@@H]3[C@@]2(C(=C(C1=O)C[C@@H](C)CI)C[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)I
InChI: InChI=1S/C29H42I2O3/c1-15(14-30)10-21-23-12-22-20(24-13-25(31)26(29(23,24)5)16(2)27(21)33)7-6-18-11-19(34-17(3)32)8-9-28(18,22)4/h15-16,18-20,22,24-26H,6-14H2,1-5H3/t15-,16?,18+,19+,20-,22+,24+,25-,26+,28+,29+/m1/s1
SMILES: C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C19H21ClN2O3/c1-12(13-6-8-14(20)9-7-13)21-17(23)10-11-22-18(24)15-4-2-3-5-16(15)19(22)25/h2-3,6-9,12,15-16H,4-5,10-11H2,1H3,(H,21,23)/t12-,15+,16+/m0/s1
SMILES: C[C@H]1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C
InChI: InChI=1S/C23H22N2O3/c1-14-6-3-4-9-19(14)24-21(26)16-10-12-17(13-11-16)25-22(27)18-8-5-7-15(2)20(18)23(25)28/h3-7,9-13,15,18,20H,8H2,1-2H3,(H,24,26)/t15-,18+,20+/m0/s1
SMILES: COC(=O)CC(CC(=O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN=[N+]=[N-])O)O)O
InChI: InChI=1S/C13H21N3O9/c1-22-8(17)3-6(4-9(18)23-2)24-13-12(21)11(20)10(19)7(25-13)5-15-16-14/h6-7,10-13,19-21H,3-5H2,1-2H3/t7-,10-,11+,12-,13-/m1/s1
SMILES: CCCC(=O)O[C@H]1C[C@@H]([C@]2([C@H]([C@H]1C)[C@H]([C@@]34[C@H](/C=C(\C[C@@H]([C@H]2OC(=O)C)OC(=O)C)/C)OC(=O)[C@@]3(O4)C)OC(=O)C)C)OC(=O)C
InChI: InChI=1S/C32H44O13/c1-10-11-25(37)43-21-14-23(40-18(5)34)30(8)26(16(21)3)28(42-20(7)36)32-24(44-29(38)31(32,9)45-32)13-15(2)12-22(39-17(4)33)27(30)41-19(6)35/h13,16,21-24,26-28H,10-12,14H2,1-9H3/b15-13-/t16-,21-,22-,23-,24-,26+,27+,28+,30-,31-,32-/m0/s1
SMILES: CCCC(=O)O[C@H]1[C@@H]([C@H](OC([C@@H]1OC(=O)C2=CC=CC=C2CN=[N+]=[N-])OC(=NC3=CC=CC=C3)C(F)(F)F)CO[C@H]4[C@H]([C@H]([C@H]([C@H](O4)C)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)OC(=O)C
InChI: InChI=1S/C48H51F3N4O13/c1-4-16-37(57)66-42-40(64-30(3)56)36(28-62-45-38(58)41(61-27-32-19-10-6-11-20-32)39(29(2)63-45)60-26-31-17-8-5-9-18-31)65-46(68-47(48(49,50)51)54-34-22-12-7-13-23-34)43(42)67-44(59)35-24-15-14-21-33(35)25-53-55-52/h5-15,17-24,29,36,38-43,45-46,58H,4,16,25-28H2,1-3H3/t29-,36-,38+,39+,40-,41-,42+,43-,45-,46?/m1/s1
SMILES: C1=CC=C(C=C1)C[NH+]2[C@@H]([C@H]2C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C22H18N2O3/c25-22(18-9-5-2-6-10-18)21-20(17-11-13-19(14-12-17)24(26)27)23(21)15-16-7-3-1-4-8-16/h1-14,20-21H,15H2/p+1/t20-,21+,23?/m1/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@]4([C@@H]([C@H]2O1)ON([C@H]4C(=O)O3)CC5=CC=C(C=C5)I)C(=O)NCC6=CC(=CC=C6)C(=O)NCCO)CCCCC
InChI: InChI=1S/C37H48IN3O8/c1-3-5-7-16-36(17-8-6-4-2)47-29-28-21-37(35(45)40-22-25-10-9-11-26(20-25)33(43)39-18-19-42)31(34(44)46-28)41(49-32(37)30(29)48-36)23-24-12-14-27(38)15-13-24/h9-15,20,28-32,42H,3-8,16-19,21-23H2,1-2H3,(H,39,43)(H,40,45)/t28-,29+,30+,31+,32-,37+/m1/s1
SMILES: C[C@@H]1CCC2[C@@](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)(C)COS(=O)(=O)C5=CC=CC=C5
InChI: InChI=1S/C21H28O7S/c1-14-9-10-17-19(2,13-24-29(22,23)15-7-5-4-6-8-15)25-18-21(17)16(14)11-12-20(3,26-18)27-28-21/h4-8,14,16-18H,9-13H2,1-3H3/t14-,16+,17?,18-,19-,20-,21-/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C40H33N3O7/c1-49-32-20-25(21-33(50-2)37(32)46)35-28-18-19-41-38(47)42(27-16-10-5-11-17-27)39(48)43(41)31(28)23-30-36(45)29(24-12-6-3-7-13-24)22-34(44)40(30,35)26-14-8-4-9-15-26/h3-18,20-22,30-31,35,46H,19,23H2,1-2H3/t30-,31+,35-,40-/m0/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=N\NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C
InChI: InChI=1S/C21H22N4O3/c1-12(2)25-21(27)16-7-5-4-6-15(16)19(24-25)20(26)23-22-11-14-8-9-18(28-14)17-10-13(17)3/h4-9,11-13,17H,10H2,1-3H3,(H,23,26)/b22-11-/t13-,17+/m1/s1
SMILES: CC(C)C[C@@H](C(=O)C1=NNC(=O)O1)NC(=O)[C@@H]2CCCC[C@@H]2NC(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C22H27FN4O5/c1-12(2)11-17(18(28)21-26-27-22(31)32-21)25-20(30)15-5-3-4-6-16(15)24-19(29)13-7-9-14(23)10-8-13/h7-10,12,15-17H,3-6,11H2,1-2H3,(H,24,29)(H,25,30)(H,27,31)/t15-,16+,17+/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)C4=CC=CC(=C4)CNC(=O)C5=CN=CC=C5)CN6[C@@H]7CCCC[C@@H]7CC[C@@H]6C(=O)NC(C)(C)C
InChI: InChI=1S/C46H56N4O5/c1-30-41(28-50-39-13-6-5-10-34(39)22-23-40(50)44(53)49-46(2,3)4)54-45(55-42(30)35-16-14-31(29-51)15-17-35)36-20-18-33(19-21-36)37-11-7-9-32(25-37)26-48-43(52)38-12-8-24-47-27-38/h7-9,11-12,14-21,24-25,27,30,34,39-42,45,51H,5-6,10,13,22-23,26,28-29H2,1-4H3,(H,48,52)(H,49,53)/t30-,34+,39+,40+,41+,42+,45+/m0/s1
SMILES: C[C@H]1CC2=C(C3=C(C(=C2O1)O)[C@]4(CC[C@H]5C[C@]5([C@@H]4CC3=O)C)C)O
InChI: InChI=1S/C20H24O4/c1-9-6-11-16(22)14-12(21)7-13-19(2,5-4-10-8-20(10,13)3)15(14)17(23)18(11)24-9/h9-10,13,22-23H,4-8H2,1-3H3/t9-,10-,13+,19-,20+/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H](C[C@@H](O1)C2=C(OC=C2)[Si](C)(C)CCO)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H36O5Si/c1-21-27(32-20-23-12-8-5-9-13-23)26(31-19-22-10-6-4-7-11-22)18-25(33-21)24-14-16-30-28(24)34(2,3)17-15-29/h4-14,16,21,25-27,29H,15,17-20H2,1-3H3/t21-,25-,26-,27-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)[O-])C3=CC4=C(C=C3)C(=O)C5=C4C=CC(=C5)CN6C=C[N+](=C6)C)O
InChI: InChI=1S/C27H23N3O5/c1-14(31)23-22-11-19(24(27(34)35)30(22)26(23)33)16-4-6-18-20(10-16)17-5-3-15(9-21(17)25(18)32)12-29-8-7-28(2)13-29/h3-10,13-14,22-23,31H,11-12H2,1-2H3/t14-,22-,23-/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)CCCC(=O)O)CN5CCC[C@H]5COC
InChI: InChI=1S/C37H46N2O7/c1-25-33(22-39-18-6-11-32(39)24-44-2)45-37(46-36(25)28-16-14-26(23-40)15-17-28)31-10-4-9-30(20-31)29-8-3-7-27(19-29)21-38-34(41)12-5-13-35(42)43/h3-4,7-10,14-17,19-20,25,32-33,36-37,40H,5-6,11-13,18,21-24H2,1-2H3,(H,38,41)(H,42,43)/t25-,32+,33+,36+,37+/m1/s1
SMILES: C1C(=C(N2[C@H](S1=O)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)CBr
InChI: InChI=1S/C16H15BrN2O6S/c17-6-9-8-26(24)15-12(14(21)19(15)13(9)16(22)23)18-11(20)7-25-10-4-2-1-3-5-10/h1-5,12,15H,6-8H2,(H,18,20)(H,22,23)/t12-,15-,26?/m1/s1
SMILES: C[C@H]1[C@H](CC[C@H](N1C(=O)OC)CCCCCCCCCCCCC(=O)C)OCOC
InChI: InChI=1S/C24H45NO5/c1-20(26)15-13-11-9-7-5-6-8-10-12-14-16-22-17-18-23(30-19-28-3)21(2)25(22)24(27)29-4/h21-23H,5-19H2,1-4H3/t21-,22+,23-/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)CN2[C@@H]3[C@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)N=N2
InChI: InChI=1S/C20H19FN4O2/c1-12(2)14-5-3-13(4-6-14)11-24-18-17(22-23-24)19(26)25(20(18)27)16-9-7-15(21)8-10-16/h3-10,12,17-18H,11H2,1-2H3/t17-,18-/m1/s1
SMILES: CCOC(=O)C1=NN([C@@H]2[C@H]1C(=O)N(C2=O)C3=CC(=C(C=C3)C)C)N=O
InChI: InChI=1S/C16H16N4O5/c1-4-25-16(23)12-11-13(20(17-12)18-24)15(22)19(14(11)21)10-6-5-8(2)9(3)7-10/h5-7,11,13H,4H2,1-3H3/t11-,13+/m0/s1
SMILES: CC(=C(C(=O)C)S[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C
InChI: InChI=1S/C34H40O6S/c1-24(2)32(25(3)35)41-33-31(39-22-28-18-12-7-13-19-28)30(38-21-27-16-10-6-11-17-27)29(40-34(33)36-4)23-37-20-26-14-8-5-9-15-26/h5-19,29-31,33-34H,20-23H2,1-4H3/t29-,30-,31+,33-,34-/m1/s1
SMILES: CN(CC=C)C(=O)[C@H]1CN2CC[C@H]1C[C@@H]2CN3C=C(N=N3)C4(CCCC4)O
InChI: InChI=1S/C20H31N5O2/c1-3-9-23(2)19(26)17-13-24-10-6-15(17)11-16(24)12-25-14-18(21-22-25)20(27)7-4-5-8-20/h3,14-17,27H,1,4-13H2,2H3/t15-,16+,17-/m0/s1
SMILES: C1CC[C@@]2([C@](C1)(O2)/C=C/C3=CC=CC=C3)[C@@H]4[C@H](O4)C5=CC=CC=C5
InChI: InChI=1S/C22H22O2/c1-3-9-17(10-4-1)13-16-21-14-7-8-15-22(21,24-21)20-19(23-20)18-11-5-2-6-12-18/h1-6,9-13,16,19-20H,7-8,14-15H2/b16-13+/t19-,20+,21-,22+/m1/s1
SMILES: CC1=CC=C(C=C1)C2=C([C@]3([C@H]4[C@@H]([C@@]2(C3=O)C5=CC=CC=C5)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O)C7=CC=CC=C7)C8=CC=C(C=C8)C
InChI: InChI=1S/C42H31NO5/c1-25-16-20-27(21-17-25)33-34(28-22-18-26(2)19-23-28)42(31-13-7-4-8-14-31)36-35(41(33,40(42)48)30-11-5-3-6-12-30)37(44)43(38(36)45)32-15-9-10-29(24-32)39(46)47/h3-24,35-36H,1-2H3,(H,46,47)/t35-,36+,41-,42+
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CC\C3=C\F)O)C
InChI: InChI=1S/C27H43FO/c1-19(2)7-5-8-20(3)25-14-15-26-21(9-6-16-27(25,26)4)10-11-22-17-24(29)13-12-23(22)18-28/h10-11,18-20,24-26,29H,5-9,12-17H2,1-4H3/b21-10+,22-11-,23-18-/t20-,24+,25-,26+,27-/m1/s1