EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[C@H](C)N1C(=O)[C@@H]2[C@H]([NH2+][C@@]3([C@@H]2C1=O)C4=C(C=CC(=C4)F)NC3=O)CCSC
InChI: InChI=1S/C20H24FN3O3S/c1-4-10(2)24-17(25)15-14(7-8-28-3)23-20(16(15)18(24)26)12-9-11(21)5-6-13(12)22-19(20)27/h5-6,9-10,14-16,23H,4,7-8H2,1-3H3,(H,22,27)/p+1/t10-,14+,15+,16-,20+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@]23C4=C(C=CC(=C4)Cl)N([C@@]2(C5=C(N3)C=CC(=C5)Cl)C6=CC=CC=C6)C(=O)C(F)(F)F
InChI: InChI=1S/C28H17Cl2F3N2O/c29-19-11-13-23-21(15-19)27(18-9-5-2-6-10-18)26(34-23,17-7-3-1-4-8-17)22-16-20(30)12-14-24(22)35(27)25(36)28(31,32)33/h1-16,34H/t26-,27-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2=C(C=CC=C2[N+](=O)[O-])CBr)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H24BrNO12/c1-10(24)30-9-16-18(31-11(2)25)19(32-12(3)26)20(33-13(4)27)21(34-16)35-17-14(8-22)6-5-7-15(17)23(28)29/h5-7,16,18-21H,8-9H2,1-4H3/t16-,18-,19+,20-,21-/m1/s1
SMILES: COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N[C@@H]2CCCC[C@H]2CN3CCC[C@H](C3)CC4=CC=C(C=C4)F
InChI: InChI=1S/C30H40FN3O3/c1-37-29(35)28(19-22-8-3-2-4-9-22)33-30(36)32-27-12-6-5-11-25(27)21-34-17-7-10-24(20-34)18-23-13-15-26(31)16-14-23/h2-4,8-9,13-16,24-25,27-28H,5-7,10-12,17-21H2,1H3,(H2,32,33,36)/t24-,25-,27+,28-/m0/s1
SMILES: C[C@H]1[C@@H](C(=O)[C@H]2C#C/C=C\C#C[C@H]3[C@]14[C@]2(O4)C5=C(N3C(=O)OC)C=CC(=C5)O[Si](C)(C)C(C)(C)C)OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C29H30F3NO8SSi/c1-17-24(39-42(36,37)29(30,31)32)23(34)19-12-10-8-9-11-13-22-27(17)28(19,41-27)20-16-18(40-43(6,7)26(2,3)4)14-15-21(20)33(22)25(35)38-5/h8-9,14-17,19,22,24H,1-7H3/b9-8-/t17-,19+,22-,24-,27-,28+/m0/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl
InChI: InChI=1S/C18H16ClF3N2O3/c19-13-6-5-10(18(20,21)22)9-14(13)23-15(25)7-8-24-16(26)11-3-1-2-4-12(11)17(24)27/h1-2,5-6,9,11-12H,3-4,7-8H2,(H,23,25)/t11-,12-/m0/s1
SMILES: COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(CN2C5CC5)C(=O)O
InChI: InChI=1S/C21H26FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,11-12,14,16,23H,2-6,8-10H2,1H3,(H,27,28)/t11-,14?,16+/m0/s1
SMILES: CCOC1=CC=CC=C1C(=O)OCC(=O)N[C@@H]2CCC[C@H]([C@@H]2C)C
InChI: InChI=1S/C19H27NO4/c1-4-23-17-11-6-5-9-15(17)19(22)24-12-18(21)20-16-10-7-8-13(2)14(16)3/h5-6,9,11,13-14,16H,4,7-8,10,12H2,1-3H3,(H,20,21)/t13-,14+,16-/m1/s1
SMILES: CC[C@H]1[C@@]([C@@H]([C@H](C2=C(CC(O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C(C)C)O)C)C)C)O)(C)O
InChI: InChI=1S/C38H67NO12/c1-14-26-38(12,45)31(41)21(6)29-19(4)16-37(11,51-29)33(50-35-28(40)25(15-20(5)46-35)39(13)18(2)3)22(7)30(23(8)34(43)48-26)49-27-17-36(10,44)32(42)24(9)47-27/h18,20-28,30-33,35,40-42,44-45H,14-17H2,1-13H3/t20-,21+,22+,23-,24+,25+,26+,27+,28-,30+,31-,32+,33-,35+,36-,37?,38-/m1/s1
SMILES: CC1=CC(=CC=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)[C@@]([NH2+]2)(C)C(=O)OC
InChI: InChI=1S/C22H21FN2O4/c1-12-5-4-6-13(11-12)18-16-17(22(2,24-18)21(28)29-3)20(27)25(19(16)26)15-9-7-14(23)8-10-15/h4-11,16-18,24H,1-3H3/p+1/t16-,17-,18+,22-/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@H](C[C@H]2[C@@]1(C2)CCC(=O)OC)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C31H43NO5Si/c1-29(2,3)37-28(34)32-24(20-23-21-31(23,32)19-18-27(33)35-7)22-36-38(30(4,5)6,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,23-24H,18-22H2,1-7H3/t23-,24-,31+/m1/s1
SMILES: CC1(O[C@@H]2C=C(O[C@@H]2O1)C3=NN=C4N3N=C(C=C4)Cl)C
InChI: InChI=1S/C12H11ClN4O3/c1-12(2)19-7-5-6(18-11(7)20-12)10-15-14-9-4-3-8(13)16-17(9)10/h3-5,7,11H,1-2H3/t7-,11-/m1/s1
SMILES: COC1=CC=CC=C1NC(=O)[C@H]2[C@H](NC(=O)NC2=C)C3=CC=C(C=C3)C#N
InChI: InChI=1S/C20H18N4O3/c1-12-17(19(25)23-15-5-3-4-6-16(15)27-2)18(24-20(26)22-12)14-9-7-13(11-21)8-10-14/h3-10,17-18H,1H2,2H3,(H,23,25)(H2,22,24,26)/t17-,18-/m1/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)OC=O)OC=O)C
InChI: InChI=1S/C27H40O7/c1-16(5-8-24(31)32-4)19-6-7-20-25-21(13-23(34-15-29)27(19,20)3)26(2)10-9-18(30)11-17(26)12-22(25)33-14-28/h14-17,19-23,25H,5-13H2,1-4H3/t16-,17+,19-,20+,21+,22-,23+,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([C@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)O)C)(C)C(=O)O
InChI: InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23+,24-,27+,30+,31+,32-,33+,34+/m0/s1
SMILES: C[C@H]1/C=C/[C@H]2C[C@@H](C[C@@H](C[C@@H]3C[C@@H](C[C@@H]4C[C@H](C[C@@H]5[C@H]([C@H](C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)O[C@H]1C(C)C)OC(O5)(C)C)C)OC(O4)(C)C)OC(O3)(C)C)O)OC(O2)(C)C
InChI: InChI=1S/C52H80O11/c1-35(2)48-36(3)26-27-39-30-40(57-49(5,6)56-39)28-38(53)29-41-31-42(59-50(7,8)58-41)32-43-33-44(61-51(9,10)60-43)34-46-37(4)45(62-52(11,12)63-46)24-22-20-18-16-14-13-15-17-19-21-23-25-47(54)55-48/h13-23,25-27,35-46,48,53H,24,28-34H2,1-12H3/b14-13+,17-15+,18-16+,21-19+,22-20+,25-23+,27-26+/t36-,37-,38-,39-,40+,41+,42-,43+,44+,45-,46+,48-/m0/s1
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)(C(=O)O)O)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O
InChI: InChI=1S/C23H30O14/c1-34-13-6-10(2-4-12(13)36-21-20(30)19(29)18(28)15(9-24)37-21)3-5-16(26)35-14-8-23(33,22(31)32)7-11(25)17(14)27/h2-6,11,14-15,17-21,24-25,27-30,33H,7-9H2,1H3,(H,31,32)/b5-3+/t11-,14-,15+,17-,18+,19-,20+,21+,23+/m1/s1
SMILES: CC1(O[C@H]2[C@@H](CC(=C[C@@H]([C@H]2O1)OCC3=CC=CC=C3)O[Si](C)(C)C)OCC4=CC=CC=C4)C
InChI: InChI=1S/C27H36O5Si/c1-27(2)30-25-23(28-18-20-12-8-6-9-13-20)16-22(32-33(3,4)5)17-24(26(25)31-27)29-19-21-14-10-7-11-15-21/h6-16,23-26H,17-19H2,1-5H3/t23-,24+,25+,26-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4)CN(C)CC=C
InChI: InChI=1S/C29H33N3O4/c1-4-15-32(3)18-26-20(2)27(22-12-10-21(19-33)11-13-22)36-29(35-26)23-7-5-9-25(16-23)31-28(34)24-8-6-14-30-17-24/h4-14,16-17,20,26-27,29,33H,1,15,18-19H2,2-3H3,(H,31,34)/t20-,26+,27+,29+/m1/s1
SMILES: C[C@H]1CO[C@@]2(O1)[C@@]3([C@@H]([C@@]3(C(=[NH+]2)N)C#N)C4=CC=CS4)C#N
InChI: InChI=1S/C14H12N4O2S/c1-8-5-19-14(20-8)13(7-16)10(9-3-2-4-21-9)12(13,6-15)11(17)18-14/h2-4,8,10H,5H2,1H3,(H2,17,18)/p+1/t8-,10+,12+,13+,14+/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C(C=CC(=C23)Cl)C(F)(F)F)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C19H14ClF3N2O2/c20-15-9-8-14(19(21,22)23)18-16(15)12-2-1-3-13(12)17(24-18)10-4-6-11(7-5-10)25(26)27/h1-2,4-9,12-13,17,24H,3H2/t12-,13+,17+/m1/s1
SMILES: COC1=CC=C(C=C1)C[C@@H](C(=O)N[C@H]2[C@H]([C@@H](O[C@@H]2C(=O)O)N3C=NC4=C(N=CN=C43)N)O)NC(=O)[C@@H](CCCN=C(N)N)N
InChI: InChI=1S/C26H35N11O7/c1-43-13-6-4-12(5-7-13)9-15(35-22(39)14(27)3-2-8-31-26(29)30)23(40)36-16-18(38)24(44-19(16)25(41)42)37-11-34-17-20(28)32-10-33-21(17)37/h4-7,10-11,14-16,18-19,24,38H,2-3,8-9,27H2,1H3,(H,35,39)(H,36,40)(H,41,42)(H2,28,32,33)(H4,29,30,31)/t14-,15+,16+,18-,19+,24-/m1/s1
SMILES: C=CCC1=C(C(=CC=C1)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C(=O)N)C(=O)N(C3=O)C(=O)N)O
InChI: InChI=1S/C25H24N4O7/c1-2-4-10-5-3-6-12(19(10)30)16-11-7-8-13-17(22(33)28(20(13)31)24(26)35)14(11)9-15-18(16)23(34)29(21(15)32)25(27)36/h2-3,5-7,13-18,30H,1,4,8-9H2,(H2,26,35)(H2,27,36)/t13-,14+,15+,16+,17-,18+/m0/s1
SMILES: COC1=C(C=CC(=C1)CN2CCC[C@@H]3[C@@H]2CCCC3)OCC4=CC=CC=C4
InChI: InChI=1S/C24H31NO2/c1-26-24-16-20(13-14-23(24)27-18-19-8-3-2-4-9-19)17-25-15-7-11-21-10-5-6-12-22(21)25/h2-4,8-9,13-14,16,21-22H,5-7,10-12,15,17-18H2,1H3/t21-,22+/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N)CSCC[C@H](C(=O)NC)N)C
InChI: InChI=1S/C18H27N7O4S/c1-18(2)28-12-10(6-30-5-4-9(19)16(26)21-3)27-17(13(12)29-18)25-8-24-11-14(20)22-7-23-15(11)25/h7-10,12-13,17H,4-6,19H2,1-3H3,(H,21,26)(H2,20,22,23)/t9-,10-,12-,13-,17-/m1/s1
SMILES: C1C[NH+](C[C@H]([C@@H]1[NH2+]CC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C25H28N2/c1-4-10-21(11-5-1)18-26-25-16-17-27(19-22-12-6-2-7-13-22)20-24(25)23-14-8-3-9-15-23/h1-15,24-26H,16-20H2/p+2/t24-,25+/m0/s1
SMILES: CCC(=O)C(=O)N(CC1=CC=CC=C1F)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C28H31FN2O8/c1-3-21(34)28(37)31(13-16-6-4-5-7-19(16)29)20-12-18(27(36)30-8-9-32)23-17-10-15(14-33)11-22(38-2)25(17)39-26(23)24(20)35/h4-7,10-12,20,23-24,26,32-33,35H,3,8-9,13-14H2,1-2H3,(H,30,36)/t20-,23+,24+,26+/m1/s1
SMILES: C[C@]1(C[C@H]2[C@H]3CC4=C5[C@@]2(CCN3C)[C@H](C1=O)OC5=C(C=C4)OC)C6=CC=CC=C6
InChI: InChI=1S/C25H27NO3/c1-24(16-7-5-4-6-8-16)14-17-18-13-15-9-10-19(28-3)21-20(15)25(17,11-12-26(18)2)23(29-21)22(24)27/h4-10,17-18,23H,11-14H2,1-3H3/t17-,18+,23-,24-,25-/m0/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)NC5=CC=C(C=C5)OC6=CC=CC=C6)CN7CCN(CC7)C8=CC=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C49H49N5O7/c1-34-46(32-52-25-27-53(28-26-52)42-19-21-43(22-20-42)54(57)58)60-48(61-47(34)37-15-13-35(33-55)14-16-37)40-10-6-9-39(30-40)38-8-5-7-36(29-38)31-50-49(56)51-41-17-23-45(24-18-41)59-44-11-3-2-4-12-44/h2-24,29-30,34,46-48,55H,25-28,31-33H2,1H3,(H2,50,51,56)/t34-,46+,47+,48+/m0/s1
SMILES: CCOC(=O)C1(C[C@H]([C@@H](C1)/C=C/C[Si](C)(C)C)/C=C/C[Si](C)(C)C)C(=O)OCC
InChI: InChI=1S/C23H42O4Si2/c1-9-26-21(24)23(22(25)27-10-2)17-19(13-11-15-28(3,4)5)20(18-23)14-12-16-29(6,7)8/h11-14,19-20H,9-10,15-18H2,1-8H3/b13-11+,14-12+/t19-,20-/m1/s1
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@H]3[C@H](N2)CCC(=O)N3)C4=CC=CC=C4
InChI: InChI=1S/C25H26F6N2O2/c1-15(16-11-18(24(26,27)28)13-19(12-16)25(29,30)31)35-14-23(17-5-3-2-4-6-17)10-9-20-21(33-23)7-8-22(34)32-20/h2-6,11-13,15,20-21,33H,7-10,14H2,1H3,(H,32,34)/t15-,20+,21-,23-/m1/s1
SMILES: CC(=C)[C@@H]1C2C[C@]3([C@@]4(CO4)[C@H]5[C@@H]([C@]3(C1C(=O)O2)O)O5)C
InChI: InChI=1S/C15H18O5/c1-6(2)8-7-4-13(3)14(5-18-14)10-11(20-10)15(13,17)9(8)12(16)19-7/h7-11,17H,1,4-5H2,2-3H3/t7?,8-,9?,10-,11+,13+,14-,15+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Br)O)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)CCC8=CC=C(C=C8)O
InChI: InChI=1S/C40H32BrClN2O6/c41-24-11-16-33(46)31(19-24)35-28-14-15-29-34(38(49)43(36(29)47)18-17-22-9-12-27(45)13-10-22)30(28)21-32-37(48)44(26-8-4-7-25(42)20-26)39(50)40(32,35)23-5-2-1-3-6-23/h1-14,16,19-20,29-30,32,34-35,45-46H,15,17-18,21H2/t29-,30+,32-,34-,35+,40+/m0/s1
SMILES: C[C@@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2CC(=O)O1)N(C5=CC=CC=C45)C(=O)OC(C)(C)C
InChI: InChI=1S/C24H30N2O4/c1-14-18-13-25-10-9-17-16-7-5-6-8-19(16)26(23(28)30-24(2,3)4)22(17)20(25)11-15(18)12-21(27)29-14/h5-8,14-15,18,20H,9-13H2,1-4H3/t14-,15-,18-,20+/m1/s1
SMILES: CC(=NCC1=CC2=C(C=C1)NC3=C2C[C@]4([C@H]5CC6=C7[C@]4([C@H]3OC7=C(C=C6)O)CCN5CC8CC8)O)N.Cl
InChI: InChI=1S/C29H32N4O3.ClH/c1-15(30)31-13-17-4-6-21-19(10-17)20-12-29(35)23-11-18-5-7-22(34)26-24(18)28(29,27(36-26)25(20)32-21)8-9-33(23)14-16-2-3-16;/h4-7,10,16,23,27,32,34-35H,2-3,8-9,11-14H2,1H3,(H2,30,31);1H/t23-,27+,28+,29-;/m1./s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](C[P+](C)(C)C)OS(=O)(=O)O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C19H29O8PS/c1-19(2)25-17-16(23-11-13-9-7-6-8-10-13)15(24-18(17)26-19)14(12-28(3,4)5)27-29(20,21)22/h6-10,14-18H,11-12H2,1-5H3/p+1/t14-,15-,16+,17-,18-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]([C@H]1[C@@H]([C@H]([C@](O1)(C#C)C(C#C[Si](C)(C)C)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C32H64O6Si4/c1-20-32(25(34)21-22-39(11,12)13)28(38-42(18,19)31(8,9)10)27(37-41(16,17)30(5,6)7)26(36-32)24(33)23-35-40(14,15)29(2,3)4/h1,24-28,33-34H,23H2,2-19H3/t24-,25?,26+,27+,28-,32+/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N[C@@H]3CCCC4=CC=CC=C34
InChI: InChI=1S/C21H27N3O3/c1-14-7-4-5-12-21(14)19(26)24(20(27)23-21)13-18(25)22-17-11-6-9-15-8-2-3-10-16(15)17/h2-3,8,10,14,17H,4-7,9,11-13H2,1H3,(H,22,25)(H,23,27)/t14-,17+,21-/m0/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=COC6=C(C5)C=C(C=C6)O)Cl)CBr)Cl
InChI: InChI=1S/C26H23BrCl2N2O6/c1-2-30-21(33)16-5-4-15-17(19(16)22(30)34)9-25(28)23(35)31(11-27)24(36)26(25,29)20(15)13-7-12-8-14(32)3-6-18(12)37-10-13/h3-4,6,8,10,16-17,19-20,32H,2,5,7,9,11H2,1H3/t16-,17+,19-,20-,25+,26-/m0/s1
SMILES: CC[C@H](C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@](CO2)(COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O)O)O
InChI: InChI=1S/C24H34O13/c1-3-12(2)36-22-20(30)19(29)18(28)16(37-22)9-33-23-21(31)24(32,11-35-23)10-34-17(27)7-5-13-4-6-14(25)15(26)8-13/h4-8,12,16,18-23,25-26,28-32H,3,9-11H2,1-2H3/b7-5+/t12-,16+,18+,19-,20+,21-,22+,23+,24+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C26H20N2O3/c1-14-10-12-15(13-11-14)24(29)27-28-25(30)22-20-16-6-2-3-7-17(16)21(23(22)26(28)31)19-9-5-4-8-18(19)20/h2-13,20-23H,1H3,(H,27,29)/t20?,21?,22-,23-/m0/s1
SMILES: CCC1([C@@H]([C@@H](C2=C(O1)C=CC3=C2OC(=O)C=C3C)O)O)CC
InChI: InChI=1S/C17H20O5/c1-4-17(5-2)16(20)14(19)13-11(22-17)7-6-10-9(3)8-12(18)21-15(10)13/h6-8,14,16,19-20H,4-5H2,1-3H3/t14-,16-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)C[C@@]3(C[C@H](CN3)O)C)O
InChI: InChI=1S/C17H26N4O6/c1-9-8-21(16(26)20-15(9)25)14-3-11(23)12(27-14)7-18-13(24)5-17(2)4-10(22)6-19-17/h8,10-12,14,19,22-23H,3-7H2,1-2H3,(H,18,24)(H,20,25,26)/t10-,11+,12-,14-,17+/m1/s1
SMILES: COC(=O)C1=C2[C@@H]3C=CC[C@H]3[C@@H](NC2=C(C=C1)Cl)C4=CC=CC=C4F
InChI: InChI=1S/C20H17ClFNO2/c1-25-20(24)14-9-10-15(21)19-17(14)11-6-4-7-12(11)18(23-19)13-5-2-3-8-16(13)22/h2-6,8-12,18,23H,7H2,1H3/t11-,12-,18-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)Br)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C35H31BrN2O7/c1-35-25(32(41)38(34(35)43)20-7-5-4-6-8-20)17-24-22(29(35)18-15-26(44-2)30(39)27(16-18)45-3)13-14-23-28(24)33(42)37(31(23)40)21-11-9-19(36)10-12-21/h4-13,15-16,23-25,28-29,39H,14,17H2,1-3H3/t23-,24+,25-,28-,29-,35+/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@@H]4[C@@]3(CC[C@@H](C4)OC)CC/C(=N\O)/C#N)O)C
InChI: InChI=1S/C31H52N2O3/c1-20(2)7-6-8-21(3)25-9-10-26-24-18-29(34)28-17-23(36-5)12-16-31(28,15-11-22(19-32)33-35)27(24)13-14-30(25,26)4/h20-21,23-29,34-35H,6-18H2,1-5H3/b33-22+/t21-,23+,24+,25-,26+,27+,28-,29-,30-,31-/m1/s1
SMILES: CC1(C[C@H]2CC([C@H]3[C@]2(C1)CC4(OC3)SCCCS4)(C=O)[Se]C5=CC=CC=C5)C
InChI: InChI=1S/C23H30O2S2Se/c1-20(2)11-17-12-22(16-24,28-18-7-4-3-5-8-18)19-13-25-23(15-21(17,19)14-20)26-9-6-10-27-23/h3-5,7-8,16-17,19H,6,9-15H2,1-2H3/t17-,19+,21+,22?/m0/s1
SMILES: C1=CC=C2C3[C@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CC(=O)NC6=CC=CC=C6C(=O)O
InChI: InChI=1S/C27H20N2O5/c30-20(28-19-12-6-5-11-18(19)27(33)34)13-29-25(31)23-21-14-7-1-2-8-15(14)22(24(23)26(29)32)17-10-4-3-9-16(17)21/h1-12,21-24H,13H2,(H,28,30)(H,33,34)/t21?,22?,23-,24-/m0/s1
SMILES: COC1=CC(=C(C=C1[C@H]2[C@@H]3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)OC)OC
InChI: InChI=1S/C22H22N4O3/c1-27-17-9-19(29-3)18(28-2)8-15(17)20-14-7-5-4-6-13(14)16(10-23)21(26)22(20,11-24)12-25/h6,8-9,14,20H,4-5,7,26H2,1-3H3/t14-,20-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@@H](S2)N3C=NC4=C3N=C(N=C4Cl)Cl)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C31H28Cl2N4O3S/c32-28-25-29(36-31(33)35-28)37(20-34-25)30-27(40-18-23-14-8-3-9-15-23)26(39-17-22-12-6-2-7-13-22)24(41-30)19-38-16-21-10-4-1-5-11-21/h1-15,20,24,26-27,30H,16-19H2/t24-,26-,27+,30-/m1/s1
SMILES: CC(=O)OC1=CO[C@@H]([C@H]([C@@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4
InChI: InChI=1S/C29H30O6/c1-22(30)35-27-21-32-26(20-31-17-23-11-5-2-6-12-23)28(33-18-24-13-7-3-8-14-24)29(27)34-19-25-15-9-4-10-16-25/h2-16,21,26,28-29H,17-20H2,1H3/t26-,28-,29-/m1/s1
SMILES: CCCN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC=C)OCC=C)CCCCO)CCCCO)C(=O)OC5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C41H53N3O10/c1-5-20-43(40(47)53-30-16-14-29(15-17-30)44(48)49)37-27-35(42-50-4)33-25-28(12-8-10-21-45)32(13-9-11-22-46)38-34-26-31(51-23-6-2)18-19-36(34)54-41(37,39(33)38)52-24-7-3/h6-7,14-19,25-26,28,32,37-39,45-46H,2-3,5,8-13,20-24,27H2,1,4H3/t28-,32+,37-,38+,39+,41+/m0/s1
SMILES: C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C=C4)O)O
InChI: InChI=1S/C22H18O9/c23-12-7-16(26)13-9-20(31-22(29)11-2-4-15(25)18(28)6-11)21(30-19(13)8-12)10-1-3-14(24)17(27)5-10/h1-8,20-21,23-28H,9H2/t20-,21+/m0/s1
SMILES: C[C@@H]1CO[C@H](O[C@H]1[C@H](C)C([C@H](C)[C@@H]2[C@H](CO[C@@H](O2)C3=CC=C(C=C3)OC)C)OC)C4=CC=C(C=C4)OC
InChI: InChI=1S/C30H42O7/c1-18-16-34-29(22-8-12-24(31-5)13-9-22)36-26(18)20(3)28(33-7)21(4)27-19(2)17-35-30(37-27)23-10-14-25(32-6)15-11-23/h8-15,18-21,26-30H,16-17H2,1-7H3/t18-,19+,20+,21-,26-,27+,28?,29-,30+
SMILES: COC1=CC=C(C=C1)CCC(=O)C2=C(C=CC=C2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C22H26O9/c1-29-13-8-5-12(6-9-13)7-10-15(25)18-14(24)3-2-4-16(18)30-22-21(28)20(27)19(26)17(11-23)31-22/h2-6,8-9,17,19-24,26-28H,7,10-11H2,1H3/t17-,19+,20+,21-,22-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OS(=O)(=O)C)OC(=O)C
InChI: InChI=1S/C20H22N2O10S/c1-11-9-22(20(26)21-17(11)24)18-16(30-12(2)23)15(32-33(3,27)28)14(31-18)10-29-19(25)13-7-5-4-6-8-13/h4-9,14-16,18H,10H2,1-3H3,(H,21,24,26)/t14-,15+,16-,18-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](C3(COC3)O[C@@H]2O1)OCC4=CC=CC=C4)C
InChI: InChI=1S/C16H20O5/c1-15(2)19-12-13(18-8-11-6-4-3-5-7-11)16(9-17-10-16)21-14(12)20-15/h3-7,12-14H,8-10H2,1-2H3/t12-,13-,14+/m1/s1
SMILES: CNC1=C(C=CC(=C1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI: InChI=1S/C13H16N2O9/c1-14-6-4-5(15(21)22)2-3-7(6)23-13-10(18)8(16)9(17)11(24-13)12(19)20/h2-4,8-11,13-14,16-18H,1H3,(H,19,20)/t8-,9-,10+,11-,13+/m0/s1
SMILES: CC(C)[C@H]1C(=O)O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@@]([C@@]1(C)O)(C)O
InChI: InChI=1S/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13-,14+,17-,18+/m0/s1
SMILES: C1[C@H]([C@H]([C@@H](O[C@@H]1[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2)N3C=CC(=O)NC3=O)O)O
InChI: InChI=1S/C19H21N3O9/c23-11-8-12(31-16(15(11)25)22-7-6-13(24)20-18(22)28)14(17(26)27)21-19(29)30-9-10-4-2-1-3-5-10/h1-7,11-12,14-16,23,25H,8-9H2,(H,21,29)(H,26,27)(H,20,24,28)/t11-,12+,14+,15-,16-/m1/s1
SMILES: C[C@]12CCC(C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)N
InChI: InChI=1S/C30H49NO2/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23H,9-18,31H2,1-7H3,(H,32,33)/t20-,21-,22+,23?,27-,28+,29+,30-/m0/s1
SMILES: CCCCC[C@@H]1[C@@H](O1)C/C=C\C/C=C\C/C=C\CCCC(=O)OC
InChI: InChI=1S/C21H34O3/c1-3-4-13-16-19-20(24-19)17-14-11-9-7-5-6-8-10-12-15-18-21(22)23-2/h5,7-8,10-11,14,19-20H,3-4,6,9,12-13,15-18H2,1-2H3/b7-5-,10-8-,14-11-/t19-,20+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)[C@H]([C@H]1C[C@@H]1[Si](C)(C)C)O
InChI: InChI=1S/C13H30OSi2/c1-13(2,3)16(7,8)12(14)10-9-11(10)15(4,5)6/h10-12,14H,9H2,1-8H3/t10-,11-,12+/m0/s1
SMILES: C[C@H]1[C@H](C[C@@H]2C[C@@H](NC(=O)N2[C@@H]1COCC3=CC=CC=C3)[C@@H](C4=CC(=O)N(C(=O)N4COC)COC)O)OCC5=CC=CC=C5
InChI: InChI=1S/C33H42N4O8/c1-22-28(19-44-17-23-10-6-4-7-11-23)37-25(15-29(22)45-18-24-12-8-5-9-13-24)14-26(34-32(37)40)31(39)27-16-30(38)36(21-43-3)33(41)35(27)20-42-2/h4-13,16,22,25-26,28-29,31,39H,14-15,17-21H2,1-3H3,(H,34,40)/t22-,25+,26-,28-,29+,31+/m1/s1
SMILES: CC(C)[C@@]12[C@H]3[C@@H](C1=C)C[C@@H]([C@@H]2O)C3=C(C)C
InChI: InChI=1S/C15H22O/c1-7(2)12-11-6-10-9(5)15(8(3)4,13(10)12)14(11)16/h8,10-11,13-14,16H,5-6H2,1-4H3/t10-,11-,13+,14+,15+/m1/s1
SMILES: C[C@@]1([C@@H](CC[C@@H]1O)[C@@H]2CCC3=C(C2)C=CC(=C3)OC)CCO
InChI: InChI=1S/C19H28O3/c1-19(9-10-20)17(7-8-18(19)21)15-4-3-14-12-16(22-2)6-5-13(14)11-15/h5-6,12,15,17-18,20-21H,3-4,7-11H2,1-2H3/t15-,17+,18+,19+/m1/s1
SMILES: CC1(N([C@H]([C@H](O1)C2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3)C)C
InChI: InChI=1S/C19H20BrNO2/c1-19(2)21(3)16(17(22)13-7-5-4-6-8-13)18(23-19)14-9-11-15(20)12-10-14/h4-12,16,18H,1-3H3/t16-,18+/m0/s1
SMILES: C1[C@H]2[C@@H]([C@@H]([C@H](O2)CNC(=O)C[C@H]3[C@@H]([C@@H]([C@H](O3)CNC(=O)C[C@H]4[C@@H]([C@@H]([C@H](O4)CNC(=O)C[C@H]5[C@@H]([C@@H]([C@H](O5)CNC1=O)O)O)O)O)O)O)O)O
InChI: InChI=1S/C28H44N4O16/c33-17-1-9-21(37)25(41)13(45-9)6-30-18(34)3-11-23(39)27(43)15(47-11)8-32-20(36)4-12-24(40)28(44)16(48-12)7-31-19(35)2-10-22(38)26(42)14(46-10)5-29-17/h9-16,21-28,37-44H,1-8H2,(H,29,33)(H,30,34)(H,31,35)(H,32,36)/t9-,10-,11-,12-,13+,14+,15+,16+,21-,22-,23-,24-,25+,26+,27+,28+/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)NC(=O)C4=C(C(=C(C(=C4F)F)F)F)F)CN5CCC6=CC(=C(C=C6C5)OC)OC
InChI: InChI=1S/C37H35F5N2O6/c1-19-28(17-44-13-12-23-14-26(47-2)27(48-3)15-24(23)16-44)49-37(50-35(19)21-6-4-20(18-45)5-7-21)22-8-10-25(11-9-22)43-36(46)29-30(38)32(40)34(42)33(41)31(29)39/h4-11,14-15,19,28,35,37,45H,12-13,16-18H2,1-3H3,(H,43,46)/t19-,28+,35+,37+/m1/s1
SMILES: C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(=O)O7)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC
InChI: InChI=1S/C24H30O3.C21H26O2/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24;1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3;1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+;17-,18-,19+,20+,21+/m11/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@H]([NH2+][C@@]3([C@@H]2C1=O)C4=C(C(=CC=C4)Cl)NC3=O)CCSC
InChI: InChI=1S/C20H24ClN3O3S/c1-3-4-9-24-17(25)14-13(8-10-28-2)23-20(15(14)18(24)26)11-6-5-7-12(21)16(11)22-19(20)27/h5-7,13-15,23H,3-4,8-10H2,1-2H3,(H,22,27)/p+1/t13-,14-,15+,20-/m1/s1
SMILES: CSC[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C22H29N3O5S2/c1-31-14-19(25-21(27)17-6-2-3-7-18(17)22(25)28)20(26)23-15-8-10-16(11-9-15)32(29,30)24-12-4-5-13-24/h8-11,17-19H,2-7,12-14H2,1H3,(H,23,26)/t17-,18+,19-/m0/s1
SMILES: CCCOC1=CC2=C(C=C1)[C@@H]([C@H]([C@@H]2C3=C(C=C(C=C3)OC)OCC(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C(=O)O)C5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C36H35NO10S/c1-4-15-44-24-9-12-26-28(17-24)34(35(36(39)40)33(26)22-7-14-29-31(16-22)47-20-46-29)27-13-8-23(43-3)18-30(27)45-19-32(38)37-48(41,42)25-10-5-21(2)6-11-25/h5-14,16-18,33-35H,4,15,19-20H2,1-3H3,(H,37,38)(H,39,40)/t33-,34+,35+/m0/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC(=N)N)O)O)O)O)NC(=O)C
InChI: InChI=1S/C24H45N3O11/c1-3-4-5-6-7-8-9-35-23-17(27-13(2)29)19(31)22(14(10-28)36-23)38-24-21(33)20(32)18(30)15(37-24)11-34-12-16(25)26/h14-15,17-24,28,30-33H,3-12H2,1-2H3,(H3,25,26)(H,27,29)/t14-,15-,17-,18+,19-,20+,21-,22-,23-,24+/m1/s1
SMILES: CCCCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CCCC[C@@H]2C(=O)O
InChI: InChI=1S/C19H25NO5/c1-2-3-12-25-19(24)13-8-10-14(11-9-13)20-17(21)15-6-4-5-7-16(15)18(22)23/h8-11,15-16H,2-7,12H2,1H3,(H,20,21)(H,22,23)/t15-,16-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC(=C4)CNC(=O)CCCCCNC(=O)C)CN5C=NC6=CC=CC=C65
InChI: InChI=1S/C41H46N4O5/c1-28-38(25-45-27-44-36-11-5-6-12-37(36)45)49-41(50-40(28)33-16-14-30(26-46)15-17-33)34-20-18-32(19-21-34)35-10-8-9-31(23-35)24-43-39(48)13-4-3-7-22-42-29(2)47/h5-6,8-12,14-21,23,27-28,38,40-41,46H,3-4,7,13,22,24-26H2,1-2H3,(H,42,47)(H,43,48)/t28-,38+,40+,41+/m0/s1
SMILES: CC(C)(C)C1=CC2=C(C=C1)N[C@@H]([C@@H]3[C@H]2OCCC3)C4=CC(=CC=C4)F
InChI: InChI=1S/C22H26FNO/c1-22(2,3)15-9-10-19-18(13-15)21-17(8-5-11-25-21)20(24-19)14-6-4-7-16(23)12-14/h4,6-7,9-10,12-13,17,20-21,24H,5,8,11H2,1-3H3/t17-,20-,21-/m1/s1
SMILES: COC(=O)[C@@]1([C@@H]2[C@H]([C@H](N1)C3=CC=CC=C3)C(=O)N(C2=O)CC4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C28H26N2O4/c1-34-27(33)28(17-19-11-5-2-6-12-19)23-22(24(29-28)21-15-9-4-10-16-21)25(31)30(26(23)32)18-20-13-7-3-8-14-20/h2-16,22-24,29H,17-18H2,1H3/t22-,23-,24-,28+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N4CC[S+](CC4)C)C(=O)[O-])[C@@H](C)O
InChI: InChI=1S/C20H29N3O5S2/c1-10-15-14(11(2)24)19(26)23(15)16(20(27)28)17(10)29-12-8-13(21-9-12)18(25)22-4-6-30(3)7-5-22/h10-15,21,24H,4-9H2,1-3H3/t10-,11-,12+,13+,14-,15-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC=C3C(=O)NC4=C(C=CC(=C4)OC)OC
InChI: InChI=1S/C24H26N2O5/c1-14-8-10-16-18(12-14)24(29)26(23(16)28)20-7-5-4-6-17(20)22(27)25-19-13-15(30-2)9-11-21(19)31-3/h4-7,9,11,13-14,16,18H,8,10,12H2,1-3H3,(H,25,27)/t14-,16+,18-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O)NC(=O)NC3=CC=C(C=C3)C(F)(F)F
InChI: InChI=1S/C14H15F3N2O4/c15-14(16,17)7-1-3-8(4-2-7)18-13(21)19-9-5-22-12-10(20)6-23-11(9)12/h1-4,9-12,20H,5-6H2,(H2,18,19,21)/t9-,10+,11+,12+/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)NC2=C(C=CC(=C2)Cl)C(=O)[O-])O)O)O
InChI: InChI=1S/C13H16ClNO6/c1-5-9(16)10(17)11(18)12(21-5)15-8-4-6(14)2-3-7(8)13(19)20/h2-5,9-12,15-18H,1H3,(H,19,20)/p-1/t5-,9+,10+,11+,12-/m1/s1