EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCCCCCCCCCNC(=O)[C@H](CC4=CC=CC=C4)NC(=O)OC(C)(C)C)([C@](C(=O)O3)(C)O)O
InChI: InChI=1S/C56H84N2O15/c1-11-13-14-20-26-32-43(61)69-47-45-44(37(4)46(47)70-50(63)36(3)12-2)48-56(67,55(10,66)51(64)71-48)41(35-54(45,9)72-38(5)59)68-42(60)31-27-21-18-16-15-17-19-22-28-33-57-49(62)40(34-39-29-24-23-25-30-39)58-52(65)73-53(6,7)8/h12,23-25,29-30,40-41,45-48,66-67H,11,13-22,26-28,31-35H2,1-10H3,(H,57,62)(H,58,65)/b36-12-/t40-,41-,45+,46-,47-,48-,54-,55+,56+/m0/s1
SMILES: COC1=C(C(=CC(=C1)CO)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3CCCCC3)C(=O)C4=CC5=CC=CC=C5OC4=O)C(=O)NCCO
InChI: InChI=1S/C34H39IN2O9/c1-44-29-14-21(19-39)13-25(35)31(29)45-28-17-23(32(41)36-11-12-38)16-26(30(28)40)37(18-20-7-3-2-4-8-20)33(42)24-15-22-9-5-6-10-27(22)46-34(24)43/h5-6,9-10,13-15,17,20,26,28,30,38-40H,2-4,7-8,11-12,16,18-19H2,1H3,(H,36,41)/t26-,28+,30+/m1/s1
SMILES: CC[C@@H]([C@@H]1[C@H](O[C@H](OC1=O)C(C)(C)C)C)SC2=CC=CC=C2N
InChI: InChI=1S/C18H27NO3S/c1-6-13(23-14-10-8-7-9-12(14)19)15-11(2)21-17(18(3,4)5)22-16(15)20/h7-11,13,15,17H,6,19H2,1-5H3/t11-,13+,15+,17-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)Cl)F
InChI: InChI=1S/C18H23ClFNO3/c1-10-5-4-6-16(11(10)2)21-17(22)12(3)24-18(23)14-9-13(19)7-8-15(14)20/h7-12,16H,4-6H2,1-3H3,(H,21,22)/t10-,11+,12+,16-/m0/s1
SMILES: C[C@@H](C(=O)NC1=CC=CC=C1OC)OC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C20H22N2O6/c1-12(18(24)21-15-9-5-6-10-16(15)27-2)28-17(23)11-22-19(25)13-7-3-4-8-14(13)20(22)26/h3-6,9-10,12-14H,7-8,11H2,1-2H3,(H,21,24)/t12-,13+,14+/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2O)CC[C@@H]4[C@@]3(C/C(=C\O)/C(=O)C4)C
InChI: InChI=1S/C20H30O3/c1-19-8-7-16-14(15(19)5-6-18(19)23)4-3-13-9-17(22)12(11-21)10-20(13,16)2/h11,13-16,18,21,23H,3-10H2,1-2H3/b12-11+/t13-,14?,15?,16?,18-,19-,20-/m0/s1
SMILES: CCCCCCCCCCC[C@H](CC(=O)O[C@H]1[C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)O[13C@@H]([C@@H]1NC(=O)OCC(Cl)(Cl)Cl)SC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C43H54Cl3NO8S/c1-2-3-4-5-6-7-8-9-17-24-33(50-28-31-20-13-10-14-21-31)27-36(48)54-39-37(47-42(49)52-30-43(44,45)46)41(56-34-25-18-12-19-26-34)53-35-29-51-40(55-38(35)39)32-22-15-11-16-23-32/h10-16,18-23,25-26,33,35,37-41H,2-9,17,24,27-30H2,1H3,(H,47,49)/t33-,35-,37-,38-,39-,40-,41-/m1/s1/i41+1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H]([C@@H](CN2CC(=O)N3CCCCC3)C4=CC5=C(C=C4)OCO5)C(=O)O
InChI: InChI=1S/C26H30N2O6/c1-32-19-8-5-17(6-9-19)25-24(26(30)31)20(18-7-10-21-22(13-18)34-16-33-21)14-28(25)15-23(29)27-11-3-2-4-12-27/h5-10,13,20,24-25H,2-4,11-12,14-16H2,1H3,(H,30,31)/t20-,24-,25+/m0/s1
SMILES: C[C@H](CCC(C)(C(C)(C)O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C
InChI: InChI=1S/C34H60O3Si/c1-23(16-21-34(9,36)31(5,6)35)27-14-15-28-26-13-12-24-22-25(37-38(10,11)30(2,3)4)17-19-32(24,7)29(26)18-20-33(27,28)8/h12-13,23,25,27-29,35-36H,14-22H2,1-11H3/t23-,25+,27-,28+,29+,32+,33-,34?/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=NC4=O)N)O
InChI: InChI=1S/C19H27N5O14P2/c1-9-6-24(19(28)22-17(9)26)16-5-11(13(37-16)8-34-39(29,30)31)38-40(32,33)35-7-12-10(25)4-15(36-12)23-3-2-14(20)21-18(23)27/h2-3,6,10-13,15-16,25H,4-5,7-8H2,1H3,(H,32,33)(H2,20,21,27)(H,22,26,28)(H2,29,30,31)/t10-,11-,12+,13+,15+,16-/m0/s1
SMILES: CC(=O)O[C@@H](C1=CC=CC=C1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H]3[C@H]2OC4(O3)CCCCC4)OC(=O)[C@H](C5=CC=CC=C5)OC(=O)C)O)O
InChI: InChI=1S/C32H36O12/c1-18(33)39-24(20-12-6-3-7-13-20)30(37)41-26-22(35)23(36)27(29-28(26)43-32(44-29)16-10-5-11-17-32)42-31(38)25(40-19(2)34)21-14-8-4-9-15-21/h3-4,6-9,12-15,22-29,35-36H,5,10-11,16-17H2,1-2H3/t22-,23-,24+,25+,26+,27+,28-,29+/m1/s1
SMILES: CCCCCC#CCCC/C(=C/C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)(C)C2=CC=CC=C2)C)/CCCC
InChI: InChI=1S/C33H50O2/c1-6-8-10-11-12-13-14-16-20-28(19-9-7-2)26-32(34)35-31-25-27(3)23-24-30(31)33(4,5)29-21-17-15-18-22-29/h15,17-18,21-22,26-27,30-31H,6-11,14,16,19-20,23-25H2,1-5H3/b28-26+/t27-,30-,31-/m1/s1
SMILES: C[C@]12CCCC(=C)[C@H]1C[C@H]3[C@@H](C2)OC(=O)[C@H]3CNCCCN(CCO)CCO
InChI: InChI=1S/C22H38N2O4/c1-16-5-3-6-22(2)14-20-17(13-19(16)22)18(21(27)28-20)15-23-7-4-8-24(9-11-25)10-12-26/h17-20,23,25-26H,1,3-15H2,2H3/t17-,18+,19-,20-,22-/m1/s1
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)C3=NO[C@@H]4[C@H]3C(=O)N(C4=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C22H13ClN2O4/c23-15-7-9-16(10-8-15)25-21(27)17-18(24-29-20(17)22(25)28)19(26)14-6-5-12-3-1-2-4-13(12)11-14/h1-11,17,20H/t17-,20+/m0/s1
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@]2([C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)O)O
InChI: InChI=1S/C23H30O6/c1-14(24)29-13-19(26)23(28)11-10-22(27)18-5-4-15-12-16(25)6-8-20(15,2)17(18)7-9-21(22,23)3/h6,8,12,17-18,27-28H,4-5,7,9-11,13H2,1-3H3/t17-,18+,20-,21-,22+,23-/m0/s1
SMILES: CC[C@@H]1C=CC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]([C@@H](C)C/C=C/C)OC)OC(=O)C2=NC3=CC=CC=C3C=C2
InChI: InChI=1S/C29H37NO5/c1-6-8-11-19(3)28(33-5)20(4)25(18-26-21(7-2)15-17-27(31)34-26)35-29(32)24-16-14-22-12-9-10-13-23(22)30-24/h6,8-10,12-17,19-21,25-26,28H,7,11,18H2,1-5H3/b8-6+/t19-,20-,21+,25+,26+,28+/m0/s1
SMILES: COC1=C(C=C(C=C1)C(=O)[C@@H]2[C@H]([C@]3([C@@H]4N2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=CC=CO7)Br
InChI: InChI=1S/C32H23BrN2O5/c1-39-24-13-12-19(17-22(24)33)28(36)27-26(29(37)25-11-6-16-40-25)32(21-9-4-5-10-23(21)34-31(32)38)30-20-8-3-2-7-18(20)14-15-35(27)30/h2-17,26-27,30H,1H3,(H,34,38)/t26-,27-,30+,32-/m0/s1
SMILES: CN1C2=CC=CC=C2[C@@H]3CC(=O)C[C@H]([C@@]3(C1=O)C#N)OC
InChI: InChI=1S/C16H16N2O3/c1-18-13-6-4-3-5-11(13)12-7-10(19)8-14(21-2)16(12,9-17)15(18)20/h3-6,12,14H,7-8H2,1-2H3/t12-,14+,16+/m0/s1
SMILES: CCOC1=CC=C(C=C1)[C@@]23[C@@H](C2(Cl)Cl)[C@@H](C4=CC=CC=C4O3)C5=CC=CC=C5C
InChI: InChI=1S/C25H22Cl2O2/c1-3-28-18-14-12-17(13-15-18)24-23(25(24,26)27)22(19-9-5-4-8-16(19)2)20-10-6-7-11-21(20)29-24/h4-15,22-23H,3H2,1-2H3/t22-,23+,24-/m1/s1
SMILES: CCC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO
InChI: InChI=1S/C25H27Cl2IN2O5/c1-2-23(32)30(14-15-7-8-17(26)18(27)11-15)20-12-16(25(34)29-9-10-31)13-22(24(20)33)35-21-6-4-3-5-19(21)28/h3-8,11,13,20,22,24,31,33H,2,9-10,12,14H2,1H3,(H,29,34)/t20-,22+,24+/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)C4=CC=CC=C4
InChI: InChI=1S/C25H25NO5/c1-15(27)16-9-11-20(12-10-16)26-21(28)14-31-25(30)23-19-8-7-18(13-19)22(23)24(29)17-5-3-2-4-6-17/h2-6,9-12,18-19,22-23H,7-8,13-14H2,1H3,(H,26,28)/t18-,19+,22-,23-/m0/s1
SMILES: CC(C)[C@H]1CC[C@]2([C@@H]1C3=C[C@@H](CCC4(C3=CC2=O)OCCO4)O)C
InChI: InChI=1S/C20H28O4/c1-12(2)14-5-6-19(3)17(22)11-16-15(18(14)19)10-13(21)4-7-20(16)23-8-9-24-20/h10-14,18,21H,4-9H2,1-3H3/t13-,14-,18+,19-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@H]2CCCN(C2)C3=NC=CC(=N3)C
InChI: InChI=1S/C18H28N4O/c1-13-6-3-4-8-16(13)21-17(23)15-7-5-11-22(12-15)18-19-10-9-14(2)20-18/h9-10,13,15-16H,3-8,11-12H2,1-2H3,(H,21,23)/t13-,15+,16-/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)OC5=CC=C(C=C5)SC)OCC=C)CCCCO)CCCCO)C(=O)OCC
InChI: InChI=1S/C41H56N2O8S/c1-6-21-43(40(46)48-8-3)37-27-35(42-47-4)33-25-28(13-9-11-22-44)32(14-10-12-23-45)38-34-26-30(50-29-15-18-31(52-5)19-16-29)17-20-36(34)51-41(37,39(33)38)49-24-7-2/h7,15-20,25-26,28,32,37-39,44-45H,2,6,8-14,21-24,27H2,1,3-5H3/t28-,32+,37-,38+,39+,41+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)N)OCCCCOCCCNC(=O)C=C)O
InChI: InChI=1S/C21H37N3O10/c1-3-16(29)23-7-6-9-32-8-4-5-10-33-21(20(22)31)11-14(27)17(24-13(2)26)19(34-21)18(30)15(28)12-25/h3,14-15,17-19,25,27-28,30H,1,4-12H2,2H3,(H2,22,31)(H,23,29)(H,24,26)/t14-,15+,17+,18+,19+,21+/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](C4=C3CC[C@@H](C4)O)CCl)C
InChI: InChI=1S/C27H45ClO/c1-17(2)6-5-7-18(3)25-10-11-26-24-14-19(16-28)23-15-20(29)8-9-21(23)22(24)12-13-27(25,26)4/h17-20,22,24-26,29H,5-16H2,1-4H3/t18-,19+,20+,22-,24-,25-,26+,27-/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)[C@@H]4CC=C(C[C@H]4C3=O)Cl
InChI: InChI=1S/C22H19ClN2O3/c1-13-2-7-16(8-3-13)24-20(26)14-4-9-17(10-5-14)25-21(27)18-11-6-15(23)12-19(18)22(25)28/h2-10,18-19H,11-12H2,1H3,(H,24,26)/t18-,19-/m1/s1
SMILES: C[C@H]1[C@H](O[C@@H](N1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3
InChI: InChI=1S/C17H16F3NO/c1-11-15(12-5-3-2-4-6-12)22-16(21-11)13-7-9-14(10-8-13)17(18,19)20/h2-11,15-16,21H,1H3/t11-,15-,16+/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)N2[C@]3(CCCC[C@@H]3C[C@@H]4[C@]2(CCCC4)C#N)C#N
InChI: InChI=1S/C24H31N3O3/c1-28-20-13-19(14-21(29-2)22(20)30-3)27-23(15-25)10-6-4-8-17(23)12-18-9-5-7-11-24(18,27)16-26/h13-14,17-18H,4-12H2,1-3H3/t17-,18-,23-,24+/m1/s1
SMILES: CCCOC(=O)C1=C(SC2=C1CCC2)NC(=O)[C@H]3CC(=C(C[C@H]3C(=O)[O-])C)C
InChI: InChI=1S/C21H27NO5S/c1-4-8-27-21(26)17-13-6-5-7-16(13)28-19(17)22-18(23)14-9-11(2)12(3)10-15(14)20(24)25/h14-15H,4-10H2,1-3H3,(H,22,23)(H,24,25)/p-1/t14-,15+/m0/s1
SMILES: CC1=CC=C(O1)[C@@]2([C@H](O[C@@]3([C@@H]([C@H]([C@]2(O3)C=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)CCC=C)C=O)O
InChI: InChI=1S/C31H32O8/c1-3-4-17-30-28(36-20-24-13-9-6-10-14-24)27(35-19-23-11-7-5-8-12-23)29(21-33,39-30)31(34,26(18-32)38-30)25-16-15-22(2)37-25/h3,5-16,18,21,26-28,34H,1,4,17,19-20H2,2H3/t26-,27-,28-,29-,30+,31+/m1/s1
SMILES: CCC(CC)(C#CC[C@@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O
InChI: InChI=1S/C29H42O3/c1-6-29(32,7-2)17-8-10-20(3)25-14-15-26-22(11-9-16-28(25,26)5)12-13-23-18-24(30)19-27(31)21(23)4/h12-14,20,24,26-27,30-32H,4,6-7,9-11,15-16,18-19H2,1-3,5H3/b22-12+,23-13-/t20-,24-,26+,27+,28-/m1/s1
SMILES: CC1=C(C=C(C=C1)N2[C@H]([C@H](C2=O)OC3=CC=CC=C3C)C4=CC(=C(C=C4)OC)OC)C
InChI: InChI=1S/C26H27NO4/c1-16-10-12-20(14-18(16)3)27-24(19-11-13-22(29-4)23(15-19)30-5)25(26(27)28)31-21-9-7-6-8-17(21)2/h6-15,24-25H,1-5H3/t24-,25+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=C(C(=O)NC2=O)F)C(=O)O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H17FN2O11/c1-5(20)27-4-8-11(28-6(2)21)12(29-7(3)22)14(30-8)19-10(15(24)25)9(17)13(23)18-16(19)26/h8,11-12,14H,4H2,1-3H3,(H,24,25)(H,18,23,26)/t8-,11-,12-,14-/m1/s1
SMILES: CCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)C)C)C
InChI: InChI=1S/C26H42O3/c1-5-6-7-8-24(28)29-23-12-11-20-19-10-9-18-15-22(27)17(2)16-26(18,4)21(19)13-14-25(20,23)3/h17-21,23H,5-16H2,1-4H3/t17-,18+,19+,20+,21+,23+,25+,26+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCC4=CC=NC5=CC=CC=C45)C
InChI: InChI=1S/C44H65N3O10/c1-12-34-44(8)38(47(42(52)57-44)22-16-15-17-30-20-21-45-32-19-14-13-18-31(30)32)27(4)35(48)25(2)24-43(7,53-11)39(28(5)36(49)29(6)40(51)55-34)56-41-37(50)33(46(9)10)23-26(3)54-41/h13-14,18-21,25-29,33-34,37-39,41,50H,12,15-17,22-24H2,1-11H3/t25-,26-,27+,28+,29-,33+,34-,37-,38-,39-,41+,43-,44-/m1/s1
SMILES: CCC[C@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=C(C=C3)O)C(=O)N(C2=O)C)C(=O)OCC
InChI: InChI=1S/C19H24N2O5/c1-4-10-19(18(25)26-5-2)14-13(16(23)21(3)17(14)24)15(20-19)11-6-8-12(22)9-7-11/h6-9,13-15,20,22H,4-5,10H2,1-3H3/t13-,14+,15-,19-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@H]([C@@H]([C@@H]3N2C4=CC=CC=C4C=C3)[N+](=O)[O-])C5=CC=CS5
InChI: InChI=1S/C23H18N2O3S/c26-23(16-8-2-1-3-9-16)22-20(19-11-6-14-29-19)21(25(27)28)18-13-12-15-7-4-5-10-17(15)24(18)22/h1-14,18,20-22H/t18-,20+,21-,22+/m1/s1
SMILES: CC(=CCC[C@]1(C[C@H](C(=C)[C@]2(C(=C[C@](O2)(C)OC)[C@@H]1/C=C/OC(=O)C=C(C)C)OC)OC)C)C
InChI: InChI=1S/C28H42O6/c1-19(2)12-11-14-26(6)18-24(30-8)21(5)28(32-10)23(17-27(7,31-9)34-28)22(26)13-15-33-25(29)16-20(3)4/h12-13,15-17,22,24H,5,11,14,18H2,1-4,6-10H3/b15-13+/t22-,24+,26-,27+,28-/m0/s1
SMILES: C1=CN(C=N1)C(=O)OP(=O)(C(C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)(F)F)O
InChI: InChI=1S/C15H16F2N7O7P/c16-15(17,32(28,29)31-14(27)23-2-1-19-5-23)3-7-9(25)10(26)13(30-7)24-6-22-8-11(18)20-4-21-12(8)24/h1-2,4-7,9-10,13,25-26H,3H2,(H,28,29)(H2,18,20,21)/t7-,9-,10-,13-/m1/s1
SMILES: CCC(CC)(CCC[C@H](C)C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C([C@@H](C3)O)C)O)C)O
InChI: InChI=1S/C29H50O3/c1-6-29(32,7-2)17-8-10-20(3)24-14-15-25-23(11-9-16-28(24,25)5)13-12-22-18-26(30)21(4)27(31)19-22/h12-13,20-21,24-27,30-32H,6-11,14-19H2,1-5H3/b22-12?,23-13+/t20-,21?,24?,25-,26+,27+,28+/m0/s1
SMILES: CCCC[C@@H]1C=C[C@@]2([C@@H]([C@@H](C=C[C@@]2([C@@H]1O)CO[Si](C)(C)C(C)(C)C)CCCC)O)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H62O4Si2/c1-13-15-17-25-19-21-32(24-36-38(11,12)30(6,7)8)28(34)26(18-16-14-2)20-22-31(32,27(25)33)23-35-37(9,10)29(3,4)5/h19-22,25-28,33-34H,13-18,23-24H2,1-12H3/t25-,26-,27-,28-,31+,32+/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2OC3=CC(=CC=C3)O[C@@H](CC4=CC=CC=C4)C(=O)O)O)O)O
InChI: InChI=1S/C27H34O9/c1-16-23(28)24(29)25(30)27(33-16)36-21-13-6-5-12-20(21)34-18-10-7-11-19(15-18)35-22(26(31)32)14-17-8-3-2-4-9-17/h2-4,7-11,15-16,20-25,27-30H,5-6,12-14H2,1H3,(H,31,32)/t16-,20+,21+,22-,23+,24+,25-,27-/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@@H]3CC=C[C@@H]3C4=C(N2)C(=C(C=C4)Cl)Cl
InChI: InChI=1S/C21H21Cl2NO3/c1-25-16-9-11(10-17(26-2)21(16)27-3)19-13-6-4-5-12(13)14-7-8-15(22)18(23)20(14)24-19/h4-5,7-10,12-13,19,24H,6H2,1-3H3/t12-,13+,19+/m0/s1
SMILES: COC1=CC(=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)N9CCOCC9)OC)O
InChI: InChI=1S/C44H40ClN3O8/c1-54-35-22-30(49)23-36(55-2)38(35)39-31-15-16-32-37(42(52)47(40(32)50)28-13-11-27(12-14-28)46-17-19-56-20-18-46)33(31)24-34-41(51)48(29-10-6-9-26(45)21-29)43(53)44(34,39)25-7-4-3-5-8-25/h3-15,21-23,32-34,37,39,49H,16-20,24H2,1-2H3/t32-,33+,34-,37-,39+,44+/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)OCC=C)CN(CC=C)C5CCCC5
InChI: InChI=1S/C38H46N2O5/c1-4-20-40(34-14-6-7-15-34)25-35-27(3)36(30-18-16-28(26-41)17-19-30)45-37(44-35)33-13-9-12-32(23-33)31-11-8-10-29(22-31)24-39-38(42)43-21-5-2/h4-5,8-13,16-19,22-23,27,34-37,41H,1-2,6-7,14-15,20-21,24-26H2,3H3,(H,39,42)/t27-,35+,36+,37+/m0/s1
SMILES: C[C@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OC3CCCC3)C4=CN=CC=C4)C)O
InChI: InChI=1S/C24H32N2O3/c1-17(27)24(2)16-26(19-7-6-12-25-14-19)15-21(24)18-10-11-22(28-3)23(13-18)29-20-8-4-5-9-20/h6-7,10-14,17,20-21,27H,4-5,8-9,15-16H2,1-3H3/t17-,21+,24+/m1/s1
SMILES: CCCOC1=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)OC(=O)C)OC
InChI: InChI=1S/C30H30N2O8/c1-5-15-38-22-13-11-20(12-14-22)31-29(34)25-26(32(40-28(25)30(31)35)21-9-7-6-8-10-21)19-16-23(36-3)27(39-18(2)33)24(17-19)37-4/h6-14,16-17,25-26,28H,5,15H2,1-4H3/t25-,26-,28+/m0/s1
SMILES: CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](CC3=C(NC4=CC=CC2=C34)SC5=CC=CC=C5)N(C1)C
InChI: InChI=1S/C26H32N4OS/c1-4-30(5-2)26(31)27-17-14-20-19-12-9-13-22-24(19)21(15-23(20)29(3)16-17)25(28-22)32-18-10-7-6-8-11-18/h6-13,17,20,23,28H,4-5,14-16H2,1-3H3,(H,27,31)/t17-,20+,23+/m0/s1
SMILES: CCCCCO[C@H]1CNCC[C@@]1(C2=CC=C(C=C2)F)OCC3=CC=CC=C3
InChI: InChI=1S/C23H30FNO2/c1-2-3-7-16-26-22-17-25-15-14-23(22,20-10-12-21(24)13-11-20)27-18-19-8-5-4-6-9-19/h4-6,8-13,22,25H,2-3,7,14-18H2,1H3/t22-,23-/m0/s1
SMILES: C[C@@]12[C@@H](C3C4=CC=CC=C4C1C5=CC=CC=C35)C(=O)N(C2=O)C6=CC=CC=C6OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C32H23NO4/c1-32-27-22-15-7-5-13-20(22)26(21-14-6-8-16-23(21)27)28(32)29(34)33(31(32)36)24-17-9-10-18-25(24)37-30(35)19-11-3-2-4-12-19/h2-18,26-28H,1H3/t26?,27?,28-,32-/m0/s1
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)N[C@@H]4CN(C[C@@H]4C(=O)NO)CC#C
InChI: InChI=1S/C26H26N4O4/c1-3-12-30-14-22(26(32)29-33)24(15-30)28-25(31)18-8-10-20(11-9-18)34-16-19-13-17(2)27-23-7-5-4-6-21(19)23/h1,4-11,13,22,24,33H,12,14-16H2,2H3,(H,28,31)(H,29,32)/t22-,24+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C2=CC(=C(C(=C2)Cl)OC)OC
InChI: InChI=1S/C17H24ClNO3/c1-10-6-5-7-14(11(10)2)19-17(20)12-8-13(18)16(22-4)15(9-12)21-3/h8-11,14H,5-7H2,1-4H3,(H,19,20)/t10-,11+,14+/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O[C@@H]4C[C@H](O[C@H]4N5C=NC6=C(N=CN=C65)N)COP(=O)(O)O[C@@H]7C[C@H](O[C@H]7N8C=NC9=C(N=CN=C98)N)CO
InChI: InChI=1S/C46H68N16O14P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-32(64)59-33-31(74-46(37(33)65)62-26-58-36-40(49)52-23-55-43(36)62)20-71-78(68,69)76-30-17-28(73-45(30)61-25-57-35-39(48)51-22-54-42(35)61)19-70-77(66,67)75-29-16-27(18-63)72-44(29)60-24-56-34-38(47)50-21-53-41(34)60/h21-31,33,37,44-46,63,65H,2-20H2,1H3,(H,59,64)(H,66,67)(H,68,69)(H2,47,50,53)(H2,48,51,54)(H2,49,52,55)/t27-,28-,29+,30+,31+,33+,37+,44+,45+,46+/m0/s1
SMILES: C1=CC=C(C=C1)S(=O)C[C@H]2[C@H]([C@@H]([C@H](N2)CO)O)O
InChI: InChI=1S/C12H17NO4S/c14-6-9-11(15)12(16)10(13-9)7-18(17)8-4-2-1-3-5-8/h1-5,9-16H,6-7H2/t9-,10+,11-,12-,18?/m1/s1
SMILES: COC1=C(C=C2[C@@H](O[C@H]3CCCC[C@H]3C2=C1)C4=CC=CC5=CC=CC=C54)OC
InChI: InChI=1S/C25H26O3/c1-26-23-14-20-18-11-5-6-13-22(18)28-25(21(20)15-24(23)27-2)19-12-7-9-16-8-3-4-10-17(16)19/h3-4,7-10,12,14-15,18,22,25H,5-6,11,13H2,1-2H3/t18-,22-,25-/m0/s1
SMILES: CC1=C(N2C=CC3=C(C2=N1)O[C@@H]([C@@H]([C@@H]3OCCOC)OC(=O)CC4=CSC=C4NC5=C(C=CC=C5Cl)Cl)C6=CC=CC=C6)Cl.C(=O)(C(=O)O)O
InChI: InChI=1S/C32H28Cl3N3O5S.C2H2O4/c1-18-31(35)38-12-11-21-28(41-14-13-40-2)30(27(19-7-4-3-5-8-19)43-29(21)32(38)36-18)42-25(39)15-20-16-44-17-24(20)37-26-22(33)9-6-10-23(26)34;3-1(4)2(5)6/h3-12,16-17,27-28,30,37H,13-15H2,1-2H3;(H,3,4)(H,5,6)/t27-,28-,30+;/m1./s1
SMILES: CCCCCC(=O)O[C@@]1(C(=C)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C(=O)C
InChI: InChI=1S/C27H38O4/c1-5-6-7-8-25(30)31-27(18(3)28)17(2)15-24-23-11-9-19-16-20(29)10-12-21(19)22(23)13-14-26(24,27)4/h16,21-24H,2,5-15H2,1,3-4H3/t21-,22+,23+,24-,26-,27-/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H](N1C(=O)OCC2=CC=CC=C2)[C@H](CO)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H31NO6/c30-17-24(31)26-27(34-19-22-12-6-2-7-13-22)25(33-18-21-10-4-1-5-11-21)16-29(26)28(32)35-20-23-14-8-3-9-15-23/h1-15,24-27,30-31H,16-20H2/t24-,25-,26-,27+/m0/s1
SMILES: CCOC(=O)[C@@H](C[C@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C)C)O)CC(C)(C)C
InChI: InChI=1S/C48H72O4Si/c1-11-51-44(50)34(32-45(3,4)5)30-43(49)33(2)40-24-25-41-39-23-22-35-31-36(26-28-47(35,9)42(39)27-29-48(40,41)10)52-53(46(6,7)8,37-18-14-12-15-19-37)38-20-16-13-17-21-38/h12-22,33-34,36,39-43,49H,11,23-32H2,1-10H3/t33-,34-,36-,39-,40+,41-,42-,43+,47-,48+/m0/s1
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](CC[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)C)O)C)C)O
InChI: InChI=1S/C22H36O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h13,15-19,24-25H,5-12H2,1-4H3/t13-,15-,16+,17+,18-,19-,20-,21-,22-/m0/s1
SMILES: COC1=CC(=CC(=C1O)[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)C7CCCCC7)Br
InChI: InChI=1S/C33H30BrCl2FN2O6/c1-45-24-14-16(34)13-22(27(24)40)26-20-11-12-21-25(29(42)38(28(21)41)18-5-3-2-4-6-18)23(20)15-32(35)30(43)39(31(44)33(26,32)36)19-9-7-17(37)8-10-19/h7-11,13-14,18,21,23,25-26,40H,2-6,12,15H2,1H3/t21-,23+,25-,26+,32+,33-/m0/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC(=C(C=C5)C)C)CCCCO)CCCCO)OCC=C)N(CC6=CC=CC7=CC=CC=C76)C(=O)OC8=CC=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C55H61N3O10/c1-5-30-64-55-51(57(35-40-17-13-16-38-14-7-8-18-45(38)40)54(61)67-42-24-21-41(22-25-42)58(62)63)34-49(56-65-6-2)47-32-39(15-9-11-28-59)46(19-10-12-29-60)52(53(47)55)48-33-44(26-27-50(48)68-55)66-43-23-20-36(3)37(4)31-43/h5,7-8,13-14,16-18,20-27,31-33,39,46,51-53,59-60H,1,6,9-12,15,19,28-30,34-35H2,2-4H3/t39-,46+,51-,52+,53+,55+/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)C)CN4C=NC5=CC=CC=C54
InChI: InChI=1S/C28H29N3O4/c1-18-26(15-31-17-29-24-5-3-4-6-25(24)31)34-28(22-11-13-23(14-12-22)30-19(2)33)35-27(18)21-9-7-20(16-32)8-10-21/h3-14,17-18,26-28,32H,15-16H2,1-2H3,(H,30,33)/t18-,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)C4=CC=CC(=C4)CNC(=O)C(Cl)(Cl)Cl)CSC5=CC=CC=[N+]5[O-]
InChI: InChI=1S/C33H31Cl3N2O5S/c1-21-28(20-44-29-7-2-3-16-38(29)41)42-31(43-30(21)25-10-8-22(19-39)9-11-25)26-14-12-24(13-15-26)27-6-4-5-23(17-27)18-37-32(40)33(34,35)36/h2-17,21,28,30-31,39H,18-20H2,1H3,(H,37,40)/t21-,28+,30+,31+/m0/s1
SMILES: CCCCCCCCCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1COC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC
InChI: InChI=1S/C38H69NO8/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-23-28-39-29-32(45-34(41)25-8-3)38(47-36(43)27-10-5)37(46-35(42)26-9-4)31(39)30-44-33(40)24-7-2/h31-32,37-38H,6-30H2,1-5H3/t31-,32+,37-,38-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[P+]2(NCCCO2)[O-])C(C)C
InChI: InChI=1S/C13H26NO3P/c1-10(2)12-6-5-11(3)9-13(12)17-18(15)14-7-4-8-16-18/h10-13H,4-9H2,1-3H3,(H,14,15)/t11-,12+,13-,18?/m1/s1
SMILES: CCOC(=O)N1CC[C@@H]2[C@H](C1)OC(=O)N2C(=O)C3=CC=CC=C3
InChI: InChI=1S/C16H18N2O5/c1-2-22-15(20)17-9-8-12-13(10-17)23-16(21)18(12)14(19)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3/t12-,13+/m1/s1
SMILES: C[C@]12CCC(C(C1CC[C@@]3(C2CC=C4[C@]3(CCC5([C@H]4CC(CC5)(C)C)COCC6=CC=CC=C6)C)C)(C)C)O
InChI: InChI=1S/C37H56O2/c1-32(2)19-21-37(25-39-24-26-11-9-8-10-12-26)22-20-35(6)27(28(37)23-32)13-14-30-34(5)17-16-31(38)33(3,4)29(34)15-18-36(30,35)7/h8-13,28-31,38H,14-25H2,1-7H3/t28-,29?,30?,31?,34-,35+,36+,37?/m0/s1
SMILES: COC(=O)C1=C2C3=C(C=CC=N3)C(=O)N2[C@H]([C@@H]([C@H]1Cl)Cl)Cl
InChI: InChI=1S/C13H9Cl3N2O3/c1-21-13(20)6-7(14)8(15)11(16)18-10(6)9-5(12(18)19)3-2-4-17-9/h2-4,7-8,11H,1H3/t7-,8+,11+/m0/s1
SMILES: C[C@H]1C2=C(CC[NH+]1CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)SC=C2
InChI: InChI=1S/C17H22N2O2S/c1-11-12-7-9-22-15(12)6-8-18(11)10-19-16(20)13-4-2-3-5-14(13)17(19)21/h7,9,11,13-14H,2-6,8,10H2,1H3/p+1/t11-,13-,14+/m0/s1
SMILES: CNC(=O)[C@@H]1C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C#N)N.Cl
InChI: InChI=1S/C12H18N4O2.ClH/c1-15-11(17)9-5-8(9)10(14)12(18)16-4-2-3-7(16)6-13;/h7-10H,2-5,14H2,1H3,(H,15,17);1H/t7-,8-,9+,10+;/m0./s1
SMILES: CC(=C[C@@H]1[C@]2(C[C@H]3[C@H](C3(C)C)C[C@H]2OC(O1)(C)C)C)C
InChI: InChI=1S/C18H30O2/c1-11(2)8-14-18(7)10-13-12(16(13,3)4)9-15(18)20-17(5,6)19-14/h8,12-15H,9-10H2,1-7H3/t12-,13+,14-,15-,18-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C)[C@@](N2)(C)C(=O)OC
InChI: InChI=1S/C17H20N2O4/c1-9-5-7-10(8-6-9)13-11-12(15(21)19(3)14(11)20)17(2,18-13)16(22)23-4/h5-8,11-13,18H,1-4H3/t11-,12+,13-,17+/m1/s1
SMILES: CCC[NH+]1CC=C2[C@H](C1)[C@@H]([C@H](C(=N)C2(C#N)C#N)C#N)C3=C(C(=CC=C3)OC)OC
InChI: InChI=1S/C23H25N5O2/c1-4-9-28-10-8-18-17(12-28)20(15-6-5-7-19(29-2)21(15)30-3)16(11-24)22(27)23(18,13-25)14-26/h5-8,16-17,20,27H,4,9-10,12H2,1-3H3/p+1/t16-,17+,20-/m1/s1
SMILES: CC1=C(N2[C@H]([C@@H](C2=O)NC(=O)C3=NN(C=C3Cl)C)SC1)C(=O)O
InChI: InChI=1S/C13H13ClN4O4S/c1-5-4-23-12-8(11(20)18(12)9(5)13(21)22)15-10(19)7-6(14)3-17(2)16-7/h3,8,12H,4H2,1-2H3,(H,15,19)(H,21,22)/t8-,12+/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@@H]6C(=CCN7N6C(=O)N(C7=O)C)[C@@H]([C@@]5(C4=O)C)C8=C(C=C(C=C8)O)Cl)C
InChI: InChI=1S/C33H28Cl2N6O5S/c1-15-20-11-16(34)5-8-25(20)47-28(15)23-14-26(38(4)36-23)40-29(43)21-13-24-19(9-10-39-31(45)37(3)32(46)41(24)39)27(33(21,2)30(40)44)18-7-6-17(42)12-22(18)35/h5-9,11-12,14,21,24,27,42H,10,13H2,1-4H3/t21-,24+,27-,33+/m0/s1
SMILES: C[C@@H]1C[C@@]([C@@H](CN1C)C)(CCN=CC2=CC=C(C=C2)OC(C)C)O
InChI: InChI=1S/C20H32N2O2/c1-15(2)24-19-8-6-18(7-9-19)13-21-11-10-20(23)12-17(4)22(5)14-16(20)3/h6-9,13,15-17,23H,10-12,14H2,1-5H3/t16-,17-,20-/m1/s1
SMILES: CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)N3CC[C@@]4(CCCC[C@@H]4C3)O
InChI: InChI=1S/C23H29NO5/c1-3-16-12-21(26)29-19-11-15(2)10-18(22(16)19)28-14-20(25)24-9-8-23(27)7-5-4-6-17(23)13-24/h10-12,17,27H,3-9,13-14H2,1-2H3/t17-,23-/m1/s1
SMILES: CCN1C=NC2=C(N=C(N=C21)N[C@@H]3CCCC[C@@H]3C(=O)N)NC4=CC=C(C=C4)S(=O)(=O)NCC(C)C
InChI: InChI=1S/C24H34N8O3S/c1-4-32-14-26-20-22(28-16-9-11-17(12-10-16)36(34,35)27-13-15(2)3)30-24(31-23(20)32)29-19-8-6-5-7-18(19)21(25)33/h9-12,14-15,18-19,27H,4-8,13H2,1-3H3,(H2,25,33)(H2,28,29,30,31)/t18-,19+/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@H](C)C(C)C)O)O
InChI: InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,23+,24+,25-,26-,27-,28-/m1/s1
SMILES: C[C@@]1([C@H]2CC[C@](O2)(CC13OCCO3)CSC4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C19H24O5S/c1-17(16(20)21-2)15-8-9-18(24-15,12-19(17)22-10-11-23-19)13-25-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3/t15-,17-,18+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@@H]([C@]1(CCC2=O)O)CCC4=C3C=CC(=C4)OC
InChI: InChI=1S/C19H24O3/c1-18-9-7-15-14-5-4-13(22-2)11-12(14)3-6-16(15)19(18,21)10-8-17(18)20/h4-5,11,15-16,21H,3,6-10H2,1-2H3/t15-,16+,18-,19+/m1/s1