EdisonScientific/glyph-datasets huggingface dataset:
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)N[C@@H](CC4=CC=CC=C4)C(=O)OC)CN(C)[C@@H](C)[C@@H](C5=CC=CC=C5)O
InChI: InChI=1S/C40H47N3O7/c1-26-35(24-43(3)27(2)36(45)30-14-9-6-10-15-30)49-39(50-37(26)31-20-18-29(25-44)19-21-31)32-16-11-17-33(23-32)41-40(47)42-34(38(46)48-4)22-28-12-7-5-8-13-28/h5-21,23,26-27,34-37,39,44-45H,22,24-25H2,1-4H3,(H2,41,42,47)/t26-,27+,34+,35+,36+,37+,39+/m1/s1
SMILES: CCC[C@@H]1[C@H](N[C@@H]([C@@H]([C@@]1(CC=C)O)C)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C24H31NO/c1-4-12-21-23(20-15-10-7-11-16-20)25-22(19-13-8-6-9-14-19)18(3)24(21,26)17-5-2/h5-11,13-16,18,21-23,25-26H,2,4,12,17H2,1,3H3/t18-,21+,22-,23+,24+/m0/s1
SMILES: COC(=O)C1=CC=C(C=C1)OC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C18H19NO6/c1-24-18(23)11-6-8-12(9-7-11)25-15(20)10-19-16(21)13-4-2-3-5-14(13)17(19)22/h6-9,13-14H,2-5,10H2,1H3/t13-,14-/m0/s1
SMILES: COC1=CC=C(C=C1)CS[C@@H]2[C@@H](C3CCN2CC3)C(=O)NNC(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H27N3O3S/c1-29-19-9-7-16(8-10-19)15-30-23-20(17-11-13-26(23)14-12-17)22(28)25-24-21(27)18-5-3-2-4-6-18/h2-10,17,20,23H,11-15H2,1H3,(H,24,27)(H,25,28)/t20-,23+/m0/s1
SMILES: CC1=CC(=C(C=C1)C)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)NC3=CC=C(C=C3)F
InChI: InChI=1S/C20H20FN3OS/c1-11-4-5-12(2)16(10-11)18-17(13(3)22-20(26)24-18)19(25)23-15-8-6-14(21)7-9-15/h4-10,17-18H,3H2,1-2H3,(H,23,25)(H2,22,24,26)/t17-,18+/m0/s1
SMILES: C=C1[C@@H]([C@H](NC(=O)N1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CC=CC=C3
InChI: InChI=1S/C18H15ClFN3O2/c1-10-14(17(24)22-11-6-3-2-4-7-11)16(23-18(25)21-10)15-12(19)8-5-9-13(15)20/h2-9,14,16H,1H2,(H,22,24)(H2,21,23,25)/t14-,16-/m0/s1
SMILES: CCCCCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)N=C3O2)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI: InChI=1S/C25H32N2O5/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)21-13-19-15-27(25(30)26-24(19)32-21)23-14-20(29)22(16-28)31-23/h9-13,15,20,22-23,28-29H,2-8,14,16H2,1H3/t20-,22+,23+/m0/s1
SMILES: C1[C@@H]2C[C@@H]3[C@H]1[C@@H]([C@@H]2C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F)C(=O)O3
InChI: InChI=1S/C15H13FN2O5/c16-9-2-1-7(18(21)22)5-10(9)17-14(19)12-6-3-8-11(4-6)23-15(20)13(8)12/h1-2,5-6,8,11-13H,3-4H2,(H,17,19)/t6-,8+,11-,12-,13+/m1/s1
SMILES: COC1=CC=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=CC=C7)O
InChI: InChI=1S/C33H21Cl2F5N2O6/c1-48-18-9-5-8-17(43)20(18)21-14-10-11-15-19(29(45)41(28(15)44)13-6-3-2-4-7-13)16(14)12-32(34)30(46)42(31(47)33(21,32)35)27-25(39)23(37)22(36)24(38)26(27)40/h2-10,15-16,19,21,43H,11-12H2,1H3/t15-,16+,19-,21+,32+,33-/m0/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)SC6=CC=CC=C6)OCC=C
InChI: InChI=1S/C51H74N2O8S/c1-3-5-6-7-8-9-10-11-12-19-30-52-50(56)59-39-28-29-45-43(36-39)48-41(26-17-21-32-55)38(23-16-20-31-54)35-42-44(53-61-47-27-18-22-34-57-47)37-46(62-40-24-14-13-15-25-40)51(60-45,49(42)48)58-33-4-2/h4,13-15,24-25,28-29,35-36,38,41,46-49,54-55H,2-3,5-12,16-23,26-27,30-34,37H2,1H3,(H,52,56)/t38-,41+,46-,47?,48+,49+,51+/m0/s1
SMILES: CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](C1)NC(=O)C2=CC=NC=C2)N=[N+]=[N-]
InChI: InChI=1S/C17H24N6O3/c1-17(2,3)26-16(25)23-10-4-5-13(21-22-18)14(11-23)20-15(24)12-6-8-19-9-7-12/h6-9,13-14H,4-5,10-11H2,1-3H3,(H,20,24)/t13-,14-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@H]([C@@H]2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O)COC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C41H42O18/c1-22(42)50-20-30-31(52-23(2)43)34(53-24(3)44)36(54-25(4)45)41(56-30)59-32-29(21-51-37(46)26-14-8-5-9-15-26)55-40(49)35(58-39(48)28-18-12-7-13-19-28)33(32)57-38(47)27-16-10-6-11-17-27/h5-19,29-36,40-41,49H,20-21H2,1-4H3/t29-,30-,31+,32-,33-,34+,35+,36-,40?,41+/m1/s1
SMILES: COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C25H31N3O3/c1-31-23-12-10-22(11-13-23)27-25(30)19-6-8-21(9-7-19)26-24(29)17-28-15-14-18-4-2-3-5-20(18)16-28/h6-13,18,20H,2-5,14-17H2,1H3,(H,26,29)(H,27,30)/p+1/t18-,20+/m0/s1
SMILES: C1[C@@H]2N3[C@H](C1)[C@H]([C@H](C2)/C(=C/C4=CC(=C(C=C4)Cl)Cl)/C3)COC(=O)CCCCCCCCC(=O)OC[C@H]5[C@H]6/C(=C/C7=CC(=C(C=C7)Cl)Cl)/CN8[C@@H]5CC[C@H]8C6
InChI: InChI=1S/C44H52Cl4N2O4/c45-37-13-9-27(19-39(37)47)17-29-23-49-31-11-15-41(49)35(33(29)21-31)25-53-43(51)7-5-3-1-2-4-6-8-44(52)54-26-36-34-22-32-12-16-42(36)50(32)24-30(34)18-28-10-14-38(46)40(48)20-28/h9-10,13-14,17-20,31-36,41-42H,1-8,11-12,15-16,21-26H2/b29-17+,30-18+/t31-,32-,33+,34+,35-,36-,41+,42+/m0/s1
SMILES: CCOC(O[C@H]\1[C@](CCC/C1=C/CC/C=C/2\[C@H]([C@](CCC2)(CO[Si](C(C)(C)C)(C)C)C)OC(OCC)C)(CO[Si](C(C)(C)C)(C)C)C)C
InChI: InChI=1S/C40H78O6Si2/c1-17-41-31(3)45-35-33(25-21-27-39(35,11)29-43-47(13,14)37(5,6)7)23-19-20-24-34-26-22-28-40(12,36(34)46-32(4)42-18-2)30-44-48(15,16)38(8,9)10/h23-24,31-32,35-36H,17-22,25-30H2,1-16H3/b33-23-,34-24-/t31?,32?,35-,36-,39-,40-/m1/s1
SMILES: C1[C@H]([C@H]1C(=O)N/N=C\C2=CC(=CC=C2)O)C3=CC=CC=C3
InChI: InChI=1S/C17H16N2O2/c20-14-8-4-5-12(9-14)11-18-19-17(21)16-10-15(16)13-6-2-1-3-7-13/h1-9,11,15-16,20H,10H2,(H,19,21)/b18-11-/t15-,16-/m0/s1
SMILES: CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)C
InChI: InChI=1S/C23H24N2O3/c1-14-11-15(2)13-17(12-14)24-21(26)16-7-9-18(10-8-16)25-22(27)19-5-3-4-6-20(19)23(25)28/h7-13,19-20H,3-6H2,1-2H3,(H,24,26)/t19-,20+
SMILES: CC1=C(C2=C(C(=O)C1=O)C([C@@H]3CCC([C@H]3[C@H]2O)(C)O)(C)CC/C=C(/CCC=C(C)C)\C(=O)O)O
InChI: InChI=1S/C27H36O7/c1-14(2)8-6-9-16(25(32)33)10-7-12-26(4)17-11-13-27(5,34)19(17)23(30)18-20(26)24(31)22(29)15(3)21(18)28/h8,10,17,19,23,28,30,34H,6-7,9,11-13H2,1-5H3,(H,32,33)/b16-10-/t17-,19-,23+,26?,27?/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C(=CC=C5)OC)O)C(=O)N(C4=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C36H28F6N2O6/c1-34-25(31(47)44(33(34)49)19-7-4-3-5-8-19)16-24-21(28(34)23-9-6-10-26(50-2)29(23)45)11-12-22-27(24)32(48)43(30(22)46)20-14-17(35(37,38)39)13-18(15-20)36(40,41)42/h3-11,13-15,22,24-25,27-28,45H,12,16H2,1-2H3/t22-,24+,25-,27-,28+,34+/m0/s1
SMILES: C[C@](CO)([C@@H](CO)O[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO)O
InChI: InChI=1S/C11H22O9/c1-10(18,4-14)7(3-13)20-11(5-15)9(17)8(16)6(2-12)19-11/h6-9,12-18H,2-5H2,1H3/t6-,7-,8-,9+,10+,11+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)CN2C(=O)[C@@](NC2=O)(C)C3=CC=CC=C3
InChI: InChI=1S/C21H27N3O5/c1-14-8-6-7-11-16(14)22-17(25)13-29-18(26)12-24-19(27)21(2,23-20(24)28)15-9-4-3-5-10-15/h3-5,9-10,14,16H,6-8,11-13H2,1-2H3,(H,22,25)(H,23,28)/t14-,16+,21-/m1/s1
SMILES: C[C@@H](C(=O)NC1=C(C=CC(=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]4[C@H](O3)COC(O4)C5=CC=CC=C5)O)O)O)O)Cl)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68
InChI: InChI=1S/C44H47ClN2O14/c1-22(46-44(54)57-20-29-27-13-7-5-11-25(27)26-12-6-8-14-28(26)29)40(53)47-31-17-23(15-16-30(31)45)19-55-42-36(51)34(49)38(32(18-48)58-42)61-43-37(52)35(50)39-33(59-43)21-56-41(60-39)24-9-3-2-4-10-24/h2-17,22,29,32-39,41-43,48-52H,18-21H2,1H3,(H,46,54)(H,47,53)/t22-,32+,33+,34+,35+,36+,37+,38+,39+,41?,42+,43+/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)C2=NN=NN2[C@H]3CO[C@H]4[C@@H]3OC[C@H]4OC(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6
InChI: InChI=1S/C28H28N6O5/c1-33(2)20-12-8-18(9-13-20)27-30-31-32-34(27)23-16-36-26-24(17-37-25(23)26)39-28(35)29-19-10-14-22(15-11-19)38-21-6-4-3-5-7-21/h3-15,23-26H,16-17H2,1-2H3,(H,29,35)/t23-,24+,25+,26+/m0/s1
SMILES: C[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C[C@H]2[C@H]([C@@H](C[C@@H](O2)CO[Si](C)(C)C(C)(C)C)C)O)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C27H56O6Si2/c1-18-13-20(16-30-34(9,10)26(3,4)5)32-22(24(18)28)15-23-25(29)19(2)14-21(33-23)17-31-35(11,12)27(6,7)8/h18-25,28-29H,13-17H2,1-12H3/t18-,19-,20-,21-,22-,23+,24+,25+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(CCC2=CC=CC=C2)C#N)C(C)C
InChI: InChI=1S/C21H29NO2/c1-15(2)19-12-9-16(3)13-20(19)24-21(23)18(14-22)11-10-17-7-5-4-6-8-17/h4-8,15-16,18-20H,9-13H2,1-3H3/t16-,18?,19+,20-/m1/s1
SMILES: CCOP(=O)([C@H]1[C@H](N1[S@@](=O)C(C)(C)C)C2=CC=CC=C2)OCC
InChI: InChI=1S/C16H26NO4PS/c1-6-20-22(18,21-7-2)15-14(13-11-9-8-10-12-13)17(15)23(19)16(3,4)5/h8-12,14-15H,6-7H2,1-5H3/t14-,15+,17?,23+/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC(F)F
InChI: InChI=1S/C25H20F2N2O5/c1-32-18-13-9-16(10-14-18)28-23(30)20-21(15-7-11-19(12-8-15)33-25(26)27)29(34-22(20)24(28)31)17-5-3-2-4-6-17/h2-14,20-22,25H,1H3/t20-,21-,22-/m1/s1
SMILES: C[C@@H]1CC[C@@]23CCC(=O)C2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)C4=CC=CN(C4=O)NC(=O)C5CSC5)C
InChI: InChI=1S/C30H40N2O6S/c1-6-28(4)14-22(29(5)17(2)9-11-30(18(3)24(28)34)12-10-21(33)23(29)30)38-27(37)20-8-7-13-32(26(20)36)31-25(35)19-15-39-16-19/h6-8,13,17-19,22-24,34H,1,9-12,14-16H2,2-5H3,(H,31,35)/t17-,18+,22-,23?,24+,28-,29+,30+/m1/s1
SMILES: [2H]/C(=C/1\C[C@H](C[C@@H](C1=C)O)O)/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C
InChI: InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1/i11D
SMILES: CC1=NOC2=C1[C@]3(CC[C@@H]4[C@H]([C@@H]3C2)CC=C5[C@@]4(CC[C@H](C5)O)C)C
InChI: InChI=1S/C21H29NO2/c1-12-19-18(24-22-12)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,14-17,23H,5-11H2,1-3H3/t14-,15-,16-,17+,20+,21+/m1/s1
SMILES: C[C@H]1CCC/C=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O[Si](C)(C)C(C)(C)C)C)(C)C)OCC2=CC=C(C=C2)OC)/C(=C/C3=CSC(=N3)C)/C
InChI: InChI=1S/C40H61NO6SSi/c1-27-17-15-13-14-16-18-34(28(2)23-32-26-48-30(4)41-32)46-36(42)24-35(45-25-31-19-21-33(44-10)22-20-31)40(8,9)38(43)29(3)37(27)47-49(11,12)39(5,6)7/h14,16,19-23,26-27,29,34-35,37H,13,15,17-18,24-25H2,1-12H3/b16-14-,28-23+/t27-,29+,34-,35-,37-/m0/s1
SMILES: C=CCOC1=CC=C(C=C1)[C@H]2[C@@H]3CCCC[C@@]3(CC[NH2+]2)O
InChI: InChI=1S/C18H25NO2/c1-2-13-21-15-8-6-14(7-9-15)17-16-5-3-4-10-18(16,20)11-12-19-17/h2,6-9,16-17,19-20H,1,3-5,10-13H2/p+1/t16-,17-,18-/m0/s1
SMILES: CCOC(=O)N1[C@H]2C[C@@H]([C@@H]([C@@H]1CC=C)C3=C2C=CC=C3[N+](=O)[O-])C[Si](C)(C)C
InChI: InChI=1S/C21H30N2O4Si/c1-6-9-16-19-14(13-28(3,4)5)12-18(22(16)21(24)27-7-2)15-10-8-11-17(20(15)19)23(25)26/h6,8,10-11,14,16,18-19H,1,7,9,12-13H2,2-5H3/t14-,16+,18+,19+/m1/s1
SMILES: CC[C@@H]1CN(CC[C@@H]1CC(=O)CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3
InChI: InChI=1S/C23H28N2O3/c1-2-19-17-24(16-18-8-4-3-5-9-18)13-12-20(19)14-22(26)15-21-10-6-7-11-23(21)25(27)28/h3-11,19-20H,2,12-17H2,1H3/t19-,20-/m1/s1
SMILES: C[C@@H]1CN[C@H]([C@@H]([C@@H]1O)O)NC(=O)C(Cl)(Cl)Cl
InChI: InChI=1S/C8H13Cl3N2O3/c1-3-2-12-6(5(15)4(3)14)13-7(16)8(9,10)11/h3-6,12,14-15H,2H2,1H3,(H,13,16)/t3-,4-,5-,6+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COC3=C(C(=C(C(=C3F)F)C(=O)O)O)F)O
InChI: InChI=1S/C16H13F3N2O8/c17-10-9(15(25)26)13(24)12(19)14(11(10)18)28-4-6-5(22)3-8(29-6)21-2-1-7(23)20-16(21)27/h1-2,5-6,8,22,24H,3-4H2,(H,25,26)(H,20,23,27)/t5-,6+,8+/m0/s1
SMILES: C1C[C@H]2[C@H]([C@@H]([C@@H]1O2)C(=O)NCC3=CC=C(C=C3)F)C(=O)O
InChI: InChI=1S/C15H16FNO4/c16-9-3-1-8(2-4-9)7-17-14(18)12-10-5-6-11(21-10)13(12)15(19)20/h1-4,10-13H,5-7H2,(H,17,18)(H,19,20)/t10-,11+,12-,13-/m1/s1
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O
InChI: InChI=1S/C23H34O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h4,16-19,25,27H,5-13H2,1-3H3/t16-,17-,18+,19-,21-,22-,23-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)CC2=CSC(=N2)C3=CC=C(C=C3)C
InChI: InChI=1S/C21H26N2O3S/c1-14-7-9-16(10-8-14)21-22-17(13-27-21)11-20(25)26-12-19(24)23-18-6-4-3-5-15(18)2/h7-10,13,15,18H,3-6,11-12H2,1-2H3,(H,23,24)/t15-,18+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=CC=C(C=C4)O)C5=CC=CC=C5)C6=CC=CC=C6)N7N1C(=O)N(C7=O)C8=CC=CC=C8
InChI: InChI=1S/C38H29N3O5/c42-28-18-16-25(17-19-28)34-29-20-21-39-36(45)40(27-14-8-3-9-15-27)37(46)41(39)32(29)23-31-35(44)30(24-10-4-1-5-11-24)22-33(43)38(31,34)26-12-6-2-7-13-26/h1-20,22,31-32,34,42H,21,23H2/t31-,32+,34-,38-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[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)CCC(=O)O
InChI: InChI=1S/C31H23Cl2F5N2O9/c1-48-14-7-10(8-15(49-2)25(14)43)18-11-3-4-12-17(27(45)39(26(12)44)6-5-16(41)42)13(11)9-30(32)28(46)40(29(47)31(18,30)33)24-22(37)20(35)19(34)21(36)23(24)38/h3,7-8,12-13,17-18,43H,4-6,9H2,1-2H3,(H,41,42)/t12-,13+,17-,18-,30+,31-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OC(=N)C(Cl)(Cl)Cl)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C36H28Cl3NO10/c37-36(38,39)35(40)50-34-29(49-33(44)25-19-11-4-12-20-25)28(48-32(43)24-17-9-3-10-18-24)27(47-31(42)23-15-7-2-8-16-23)26(46-34)21-45-30(41)22-13-5-1-6-14-22/h1-20,26-29,34,40H,21H2/t26-,27-,28+,29-,34?/m1/s1
SMILES: C1CSC[C@@H]2[C@H]1C3=C([C@H]4[C@@H]2C(=O)N(C4=O)C5=CC=CC=C5)NC6=CC=CC=C63
InChI: InChI=1S/C23H20N2O2S/c26-22-19-16-12-28-11-10-14(16)18-15-8-4-5-9-17(15)24-21(18)20(19)23(27)25(22)13-6-2-1-3-7-13/h1-9,14,16,19-20,24H,10-12H2/t14-,16+,19+,20+/m0/s1
SMILES: C1CC[C@@H]2[C@H](C1)NC(=O)N2C3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C27H35N3O/c31-27-28-25-13-7-8-14-26(25)30(27)23-15-18-29(19-16-23)20-17-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,23-26H,7-8,13-20H2,(H,28,31)/t25-,26+/m0/s1
SMILES: C/C=C\[C@@H](C1CC[C@H]([C@@](O1)(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]3CC[C@H]([C@@H](C3)OC)C)[C@H](C)[C@H](CC(=O)C(CC=C)CC=C)O)O)C)OC
InChI: InChI=1S/C43H69NO10/c1-10-15-32(16-11-2)35(46)26-34(45)30(7)39(28(5)24-31-21-19-27(4)38(25-31)52-9)53-42(49)33-18-13-14-23-44(33)41(48)40(47)43(50)29(6)20-22-37(54-43)36(51-8)17-12-3/h10-12,17,27-34,36-39,45,50H,1-2,13-16,18-26H2,3-9H3/b17-12-/t27-,28-,29-,30-,31+,33+,34+,36+,37?,38-,39-,43-/m1/s1
SMILES: C1=COC(=C1)/C=C/C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI: InChI=1S/C13H15NO8/c15-7(4-3-6-2-1-5-21-6)14-12-10(18)8(16)9(17)11(22-12)13(19)20/h1-5,8-12,16-18H,(H,14,15)(H,19,20)/b4-3+/t8-,9-,10+,11-,12+/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N(CC2=CC=C(C=C2)OC(F)(F)F)C[C@@]3(CC[C@@H]4[C@@]3(CC[C@H]5[C@]46C=C[C@@]7([C@@]5(CCC(C7)O)C)C=C6C(=O)C8=CC=CC=C8C9=CC=CC=C9)C)O)C(C)C
InChI: InChI=1S/C54H64F3NO6/c1-34(2)40-20-15-35(3)29-44(40)63-48(61)58(32-36-16-18-39(19-17-36)64-54(55,56)57)33-52(62)26-23-46-50(52,5)25-22-45-49(4)24-21-38(59)30-51(49)27-28-53(45,46)43(31-51)47(60)42-14-10-9-13-41(42)37-11-7-6-8-12-37/h6-14,16-19,27-28,31,34-35,38,40,44-46,59,62H,15,20-26,29-30,32-33H2,1-5H3/t35-,38?,40+,44-,45+,46+,49+,50-,51-,52+,53+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2[C@@H](OC(O2)(C)C)[C@H]3[C@@H](CC[C@@H](O3)OC)N=[N+]=[N-]
InChI: InChI=1S/C19H27N3O7S/c1-12-5-7-13(8-6-12)30(23,24)26-11-15-18(29-19(2,3)28-15)17-14(21-22-20)9-10-16(25-4)27-17/h5-8,14-18H,9-11H2,1-4H3/t14-,15+,16-,17-,18-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@@H]([C@H]1/C=C/[C@@H](C3CCCC3)O[Si](C)(C)C(C)(C)C)C[C@@](O2)([C@H](CCCC(=O)OC)F)OC
InChI: InChI=1S/C34H63FO6Si2/c1-32(2,3)42(9,10)40-27(24-16-13-14-17-24)21-20-25-26-23-34(38-8,30(35)18-15-19-31(36)37-7)39-28(26)22-29(25)41-43(11,12)33(4,5)6/h20-21,24-30H,13-19,22-23H2,1-12H3/b21-20+/t25-,26-,27+,28+,29-,30+,34-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=NC=C(C(=C32)Cl)Br)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H17BrClN3O7/c1-7(23)26-5-11-14(27-8(2)24)15(28-9(3)25)17(29-11)22-6-21-16-13(22)12(19)10(18)4-20-16/h4,6,11,14-15,17H,5H2,1-3H3/t11-,14-,15-,17-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)CC2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C19H29N3O3S/c1-12-6-5-7-15(13(12)2)20-19(26)22-21-18(23)11-14-8-9-16(24-3)17(10-14)25-4/h8-10,12-13,15H,5-7,11H2,1-4H3,(H,21,23)(H2,20,22,26)/t12-,13+,15+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C=CC(=C3)[N+](=O)[O-])N=C2Cl)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H18ClN3O9/c1-8(23)28-7-14-15(29-9(2)24)16(30-10(3)25)17(31-14)21-13-6-11(22(26)27)4-5-12(13)20-18(21)19/h4-6,14-17H,7H2,1-3H3/t14-,15-,16-,17-/m1/s1
SMILES: CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC=C3C2=CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C25H32O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h5-6,10,18,20,22H,7-9,11-14H2,1-4H3/t18-,20-,22+,24-,25-/m0/s1
SMILES: [2H]C[C@]1(CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]4[C@@]3(CCCC4(C)C)C)O
InChI: InChI=1S/C20H34O/c1-17(2)8-5-9-18(3)16(17)7-6-14-12-15-13-20(14,18)11-10-19(15,4)21/h14-16,21H,5-13H2,1-4H3/t14-,15+,16-,18-,19+,20-/m0/s1/i4D
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C[C@@H]2C(=O)NC3=CC=CC=C3S2
InChI: InChI=1S/C19H24N2O4S/c1-12-6-2-3-7-13(12)20-17(22)11-25-18(23)10-16-19(24)21-14-8-4-5-9-15(14)26-16/h4-5,8-9,12-13,16H,2-3,6-7,10-11H2,1H3,(H,20,22)(H,21,24)/t12-,13+,16+/m0/s1
SMILES: CC1=C(C(=CC=C1)C(=O)N2[C@@]([C@@H]3CCCCCC3=N2)(C(F)(F)F)O)O
InChI: InChI=1S/C17H19F3N2O3/c1-10-6-5-7-11(14(10)23)15(24)22-16(25,17(18,19)20)12-8-3-2-4-9-13(12)21-22/h5-7,12,23,25H,2-4,8-9H2,1H3/t12-,16-/m1/s1
SMILES: C[C@H]1[C@H]2C3=CC=CC=C3OCCOCCOC4=CC=CC=C4[C@@H](N2)[C@@H](C1=O)C
InChI: InChI=1S/C23H27NO4/c1-15-21-17-7-3-5-9-19(17)27-13-11-26-12-14-28-20-10-6-4-8-18(20)22(24-21)16(2)23(15)25/h3-10,15-16,21-22,24H,11-14H2,1-2H3/t15-,16-,21-,22-/m0/s1
SMILES: CC1=C(C=CC2=C1N[C@@H]([C@@H]3[C@@H]2C=CC3)C4=CC(=CC=C4)Br)C(=O)O
InChI: InChI=1S/C20H18BrNO2/c1-11-14(20(23)24)8-9-17-15-6-3-7-16(15)19(22-18(11)17)12-4-2-5-13(21)10-12/h2-6,8-10,15-16,19,22H,7H2,1H3,(H,23,24)/t15-,16-,19+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@]23[C@@H]4[C@H](C(=O)OC4=O)[C@@](O2)(C5=CC=CC=C35)C6=CC=CC=C6
InChI: InChI=1S/C24H16O4/c25-21-19-20(22(26)27-21)24(16-11-5-2-6-12-16)18-14-8-7-13-17(18)23(19,28-24)15-9-3-1-4-10-15/h1-14,19-20H/t19-,20-,23-,24+/m1/s1
SMILES: CCCCOC[C@@H]1[C@H]([C@H]2[C@H]([C@H](O1)OC)OCCOCCNCCOCCO2)OCCCC
InChI: InChI=1S/C23H45NO8/c1-4-6-10-28-18-19-20(29-11-7-5-2)21-22(23(25-3)32-19)31-17-15-27-13-9-24-8-12-26-14-16-30-21/h19-24H,4-18H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1
SMILES: C[C@@]1([C@@H]2[C@H]([C@H](N1)[C@H]3[C@H](C(=O)N3C4=CC=C(C=C4)OC)C5=CC=CC=C5)C(=O)N(C2=O)C6=CC=CC=C6)C(=O)OC
InChI: InChI=1S/C31H29N3O6/c1-31(30(38)40-3)24-23(28(36)34(29(24)37)19-12-8-5-9-13-19)25(32-31)26-22(18-10-6-4-7-11-18)27(35)33(26)20-14-16-21(39-2)17-15-20/h4-17,22-26,32H,1-3H3/t22-,23-,24-,25+,26-,31-/m1/s1
SMILES: CC(C)(C)C=CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI: InChI=1S/C15H22N2O5/c1-15(2,3)5-4-9-7-17(14(21)16-13(9)20)12-6-10(19)11(8-18)22-12/h4-5,7,10-12,18-19H,6,8H2,1-3H3,(H,16,20,21)/t10-,11+,12+/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)OCC8=CC=CC=C8Cl)C9=CC=CC=C9N6.Cl
InChI: InChI=1S/C33H31ClN2O3.ClH/c34-24-7-3-1-5-21(24)18-38-33-16-23-22-6-2-4-8-25(22)35-29(23)31-32(33)13-14-36(17-19-9-10-19)27(33)15-20-11-12-26(37)30(39-31)28(20)32;/h1-8,11-12,19,27,31,35,37H,9-10,13-18H2;1H/t27-,31+,32+,33-;/m1./s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)N)C#CC(=O)N)CO)O)O
InChI: InChI=1S/C15H17N5O5/c1-15(24)11(23)8(5-21)25-14(15)20-4-7(2-3-9(16)22)10-12(17)18-6-19-13(10)20/h4,6,8,11,14,21,23-24H,5H2,1H3,(H2,16,22)(H2,17,18,19)/t8-,11-,14-,15-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OCC=C)OC(=O)C2=CC=CC=C2)O)OCC3=CC=CC=C3
InChI: InChI=1S/C23H26O6/c1-3-14-26-23-21(29-22(25)18-12-8-5-9-13-18)19(24)20(16(2)28-23)27-15-17-10-6-4-7-11-17/h3-13,16,19-21,23-24H,1,14-15H2,2H3/t16-,19+,20-,21+,23+/m0/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(=C6Br)Br)O)OC)C(=O)N(C5=O)C7CCCCC7)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C40H37Br2Cl2N3O7/c1-53-22-11-8-19(9-12-22)40-27(37(50)47(39(40)52)45-29-15-10-20(43)16-28(29)44)17-25-23(32(40)26-18-30(54-2)35(48)34(42)33(26)41)13-14-24-31(25)38(51)46(36(24)49)21-6-4-3-5-7-21/h8-13,15-16,18,21,24-25,27,31-32,45,48H,3-7,14,17H2,1-2H3/t24-,25+,27-,31-,32+,40+/m0/s1
SMILES: CCC1=C(C(=O)C(=C(O1)[C@H](C)[C@H]2[C@H]([C@@H]([C@@H](C3(O2)[C@H](C(=O)C(=C(O3)[C@H](C)CC)C)C)C)OC(=O)CC(C)C)C)C)C
InChI: InChI=1S/C33H50O7/c1-13-17(5)29-20(8)28(36)23(11)33(39-29)24(12)32(38-26(34)15-16(3)4)22(10)31(40-33)21(9)30-19(7)27(35)18(6)25(14-2)37-30/h16-17,21-24,31-32H,13-15H2,1-12H3/t17-,21+,22-,23+,24+,31+,32+,33?/m1/s1
SMILES: C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2OC[C@]4([C@H]3C[C@H](C4=O)O)C)O
InChI: InChI=1S/C18H28O4/c1-17-6-5-11(19)7-10(17)3-4-12-13-8-14(20)15(21)18(13,2)9-22-16(12)17/h10-14,16,19-20H,3-9H2,1-2H3/t10-,11-,12+,13+,14-,16+,17+,18+/m1/s1
SMILES: CC(C)(C)C1=CC(=CC(=C1)S[C@H]2CCCC[C@@H]2SCC(=O)OC)C(C)(C)C
InChI: InChI=1S/C23H36O2S2/c1-22(2,3)16-12-17(23(4,5)6)14-18(13-16)27-20-11-9-8-10-19(20)26-15-21(24)25-7/h12-14,19-20H,8-11,15H2,1-7H3/t19-,20-/m0/s1
SMILES: C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C19H22N2O5S/c22-18-16-6-1-2-7-17(16)19(23)21(18)13-14-4-3-5-15(12-14)27(24,25)20-8-10-26-11-9-20/h1-5,12,16-17H,6-11,13H2/t16-,17-/m0/s1
SMILES: CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C20H21N3O5/c1-12-5-4-8-22-16(24)9-13(21-18(12)22)11-28-17(25)10-23-19(26)14-6-2-3-7-15(14)20(23)27/h4-5,8-9,14-15H,2-3,6-7,10-11H2,1H3/t14-,15-/m0/s1
SMILES: C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@]1(C(=O)C[C@@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCCC4)C)C
InChI: InChI=1S/C24H36O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-18,22H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17+,18+,22-,23-,24+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC(=S)N3CCCC3)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C15H20N2O4S2/c1-7-10-9(8(2)18)13(19)17(10)11(14(20)21)12(7)23-15(22)16-5-3-4-6-16/h7-10,18H,3-6H2,1-2H3,(H,20,21)/t7-,8-,9-,10-/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CCOCCO)[C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCC6=CC=CC(=N6)C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C56H85N3O11/c1-4-6-7-8-9-10-11-12-13-19-35-66-55(63)59(29-36-64-37-32-62)51-40-49(58-70-52-26-16-20-34-65-52)47-38-43(23-14-17-30-60)46(25-15-18-31-61)53-48-39-45(67-41-44-24-21-22-42(3)57-44)27-28-50(48)69-56(51,54(47)53)68-33-5-2/h5,21-22,24,27-28,38-39,43,46,51-54,60-62H,2,4,6-20,23,25-26,29-37,40-41H2,1,3H3/t43-,46+,51-,52?,53+,54+,56+/m0/s1
SMILES: CCOC(=O)/C=C(\C)/N1[C@@H]([C@@H]2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC=CC=C4
InChI: InChI=1S/C24H26N2O3/c1-4-29-22(27)14-16(2)26-24(18-8-6-5-7-9-18)20-13-11-17-10-12-19(28-3)15-21(17)23(20)25-26/h5-10,12,14-15,20,24H,4,11,13H2,1-3H3/b16-14+/t20-,24-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@H]2[C@@H]([C@H]3[C@@H]([C@@H]2O)O3)NC(=O)[C@H](C4=CC=CC=C4)O
InChI: InChI=1S/C21H23NO5/c23-17(14-9-5-2-6-10-14)21(25)22-16-15(18(24)20-19(16)27-20)12-26-11-13-7-3-1-4-8-13/h1-10,15-20,23-24H,11-12H2,(H,22,25)/t15-,16-,17-,18+,19-,20+/m0/s1
SMILES: CC(=O)O[C@H]1[C@H]2[C@H](C=CC(=O)O2)O[C@@H]1C3=CC=CC=C3
InChI: InChI=1S/C15H14O5/c1-9(16)18-15-13(10-5-3-2-4-6-10)19-11-7-8-12(17)20-14(11)15/h2-8,11,13-15H,1H3/t11-,13+,14+,15+/m0/s1
SMILES: CCOC1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3[NH2+]2
InChI: InChI=1S/C18H25N3O3/c1-2-24-13-9-7-12(8-10-13)19-17(22)11-16-18(23)21-15-6-4-3-5-14(15)20-16/h7-10,14-16,20H,2-6,11H2,1H3,(H,19,22)(H,21,23)/p+1/t14-,15-,16-/m0/s1
SMILES: CCCCC/C=C\CC(/C=C/[C@H]([C@H]1C[C@@H]1C2CCCC(=O)O2)O)O
InChI: InChI=1S/C20H32O4/c1-2-3-4-5-6-7-9-15(21)12-13-18(22)16-14-17(16)19-10-8-11-20(23)24-19/h6-7,12-13,15-19,21-22H,2-5,8-11,14H2,1H3/b7-6-,13-12+/t15?,16-,17-,18+,19?/m0/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4Cl)OC
InChI: InChI=1S/C16H18ClN3O6/c1-6-11(21)10-9(12(22)13(6)24-2)7(5-26-15(18)23)16(25-3)14-8(20(14)17)4-19(10)16/h7-8,14H,4-5H2,1-3H3,(H2,18,23)/t7-,8+,14+,16-,20?/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N(C)CC(=O)NC2=C(C=CC=C2Cl)Cl
InChI: InChI=1S/C19H27Cl2N3O2/c1-12-7-4-5-10-16(12)22-19(26)13(2)24(3)11-17(25)23-18-14(20)8-6-9-15(18)21/h6,8-9,12-13,16H,4-5,7,10-11H2,1-3H3,(H,22,26)(H,23,25)/t12-,13+,16-/m0/s1
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)S)OC(=O)C4=CC5=CC=CC=C5C=C4)OC(=O)C6=CC7=CC=CC=C7C=C6)OC(=O)C8=CC9=CC=CC=C9C=C8
InChI: InChI=1S/C50H36O9S/c51-46(38-21-17-30-9-1-5-13-34(30)25-38)55-29-42-43(57-47(52)39-22-18-31-10-2-6-14-35(31)26-39)44(58-48(53)40-23-19-32-11-3-7-15-36(32)27-40)45(50(60)56-42)59-49(54)41-24-20-33-12-4-8-16-37(33)28-41/h1-28,42-45,50,60H,29H2/t42-,43-,44+,45-,50+/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NC3=C(C=C(C=C3)F)F
InChI: InChI=1S/C19H21F2N3O5/c1-11-4-2-3-7-19(11)17(27)24(18(28)23-19)9-16(26)29-10-15(25)22-14-6-5-12(20)8-13(14)21/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,22,25)(H,23,28)/t11-,19-/m1/s1