EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCC1=C(C=CC(=C1)Br)NC(=O)[C@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4C3
InChI: InChI=1S/C17H18BrNO3/c1-2-8-5-10(18)3-4-12(8)19-16(20)14-9-6-11-13(7-9)22-17(21)15(11)14/h3-5,9,11,13-15H,2,6-7H2,1H3,(H,19,20)/t9-,11+,13-,14+,15+/m1/s1
SMILES: CCCCCCOC1=C(C(=O)C2=C(C1=O)[C@H]([C@@]3(N2CC4C3N4)OC)COC(=O)N)C
InChI: InChI=1S/C21H29N3O6/c1-4-5-6-7-8-29-18-11(2)16(25)15-14(17(18)26)12(10-30-20(22)27)21(28-3)19-13(23-19)9-24(15)21/h12-13,19,23H,4-10H2,1-3H3,(H2,22,27)/t12-,13?,19?,21-/m1/s1
SMILES: C1[C@@H]2C[C@@H]([C@@H]1C=C2)NC(=S)N(CCC#N)CC3=CC=NC=C3
InChI: InChI=1S/C17H20N4S/c18-6-1-9-21(12-13-4-7-19-8-5-13)17(22)20-16-11-14-2-3-15(16)10-14/h2-5,7-8,14-16H,1,9-12H2,(H,20,22)/t14-,15-,16+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@]3([C@H]4[C@@H]([C@H]([C@H]3O2)OCC5=CC=CC=C5)OS(=O)O4)OCC6=CC=CC=C6)O
InChI: InChI=1S/C26H26N2O9S/c1-15-12-28(25(31)27-23(15)30)24-20(29)26(34-14-17-10-6-3-7-11-17)21(35-24)18(19-22(26)37-38(32)36-19)33-13-16-8-4-2-5-9-16/h2-12,18-22,24,29H,13-14H2,1H3,(H,27,30,31)/t18-,19-,20-,21-,22-,24-,26+,38?/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)NC2=C(C=C(C=C2)[N+](=O)[O-])C)O)O)O
InChI: InChI=1S/C13H18N2O6/c1-6-5-8(15(19)20)3-4-9(6)14-13-12(18)11(17)10(16)7(2)21-13/h3-5,7,10-14,16-18H,1-2H3/t7-,10+,11+,12+,13+/m0/s1
SMILES: CC1(OCC[C@@H](O1)[C@@H]2[C@H]3[C@@H]([C@H](O2)O)OC(O3)(C)C)C
InChI: InChI=1S/C13H22O6/c1-12(2)15-6-5-7(17-12)8-9-10(11(14)16-8)19-13(3,4)18-9/h7-11,14H,5-6H2,1-4H3/t7-,8-,9+,10+,11+/m1/s1
SMILES: C[C@@H]1C[C@@H](CC([C@]1(/C=C/C(C)O)O)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H38O3Si/c1-14-12-16(22-23(8,9)17(3,4)5)13-18(6,7)19(14,21)11-10-15(2)20/h10-11,14-16,20-21H,12-13H2,1-9H3/b11-10+/t14-,15?,16+,19-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C(C)(C)C)C5=CC(=C(C=C5)OC)O
InChI: InChI=1S/C28H29NO6/c1-13-10-19(30)18-12-17-15(7-8-16-23(17)27(34)29(26(16)33)28(2,3)4)22(24(18)25(13)32)14-6-9-21(35-5)20(31)11-14/h6-7,9-11,16-17,22-23,31H,8,12H2,1-5H3/t16-,17+,22-,23-/m0/s1
SMILES: C[C@H](CCC=C(C)C)[C@H]1CC(=O)[C@H]2[C@@]1(CC[C@H]3[C@@H]2CC(=O)O3)C
InChI: InChI=1S/C20H30O3/c1-12(2)6-5-7-13(3)15-11-16(21)19-14-10-18(22)23-17(14)8-9-20(15,19)4/h6,13-15,17,19H,5,7-11H2,1-4H3/t13-,14+,15-,17+,19+,20-/m1/s1
SMILES: CCCCOC(=O)[C@@H]1[C@H](OC2(O1)C[C@H]3C[C@@H]4C[C@H](C3)[C@@H]2C4)C(=O)OCCCC
InChI: InChI=1S/C22H34O6/c1-3-5-7-25-20(23)18-19(21(24)26-8-6-4-2)28-22(27-18)13-15-9-14-10-16(11-15)17(22)12-14/h14-19H,3-13H2,1-2H3/t14-,15+,16-,17+,18+,19+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]([C@H]1[C@@H]([C@H](C(=O)O1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H66O6Si4/c1-27(2,3)37(13,14)32-21-22(34-38(15,16)28(4,5)6)23-24(35-39(17,18)29(7,8)9)25(26(31)33-23)36-40(19,20)30(10,11)12/h22-25H,21H2,1-20H3/t22-,23+,24+,25-/m1/s1
SMILES: COC(=O)[C@@H]1C[C@H]([C@H]2N1C(=O)C=CC2)CC3=CC=CC=C3
InChI: InChI=1S/C17H19NO3/c1-21-17(20)15-11-13(10-12-6-3-2-4-7-12)14-8-5-9-16(19)18(14)15/h2-7,9,13-15H,8,10-11H2,1H3/t13-,14+,15+/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)NCCCCCCNC(=O)[C@H]2CCCC[C@H]2C(=O)O)C(=O)O
InChI: InChI=1S/C22H36N2O6/c25-19(15-9-3-5-11-17(15)21(27)28)23-13-7-1-2-8-14-24-20(26)16-10-4-6-12-18(16)22(29)30/h15-18H,1-14H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/t15-,16+,17-,18-/m1/s1
SMILES: CCOC1=CC2=CC[C@H]3[C@@H]4CCC([C@]4(CC[C@@H]3[C@]2(CC1)C)C)O
InChI: InChI=1S/C21H32O2/c1-4-23-15-9-11-20(2)14(13-15)5-6-16-17-7-8-19(22)21(17,3)12-10-18(16)20/h5,13,16-19,22H,4,6-12H2,1-3H3/t16-,17-,18-,19?,20-,21-/m0/s1
SMILES: C1CN(CCN1C[C@@H]2C[C@H]3C[C@H]2C=C3)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C18H24N2O2S/c21-23(22,18-4-2-1-3-5-18)20-10-8-19(9-11-20)14-17-13-15-6-7-16(17)12-15/h1-7,15-17H,8-14H2/t15-,16-,17+/m1/s1
SMILES: C1[C@@H]2[C@H]3[C@@H]([C@@H]4[C@]1([C@H](C(=O)O2)N(O4)CC5=CC=CC=C5C=CCO[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)C(=O)NCCO)OCO3
InChI: InChI=1S/C28H36N2O13/c31-8-7-29-27(37)28-10-16-21-22(40-13-39-21)24(28)43-30(23(28)25(36)41-16)11-15-5-2-1-4-14(15)6-3-9-38-26-20(35)19(34)18(33)17(12-32)42-26/h1-6,16-24,26,31-35H,7-13H2,(H,29,37)/t16-,17-,18+,19+,20-,21+,22+,23+,24-,26+,28+/m1/s1
SMILES: CCCOC(=O)C(CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC3=C(N=CN=C32)N)O)O)N
InChI: InChI=1S/C18H27N5O5S/c1-2-6-27-18(26)11(19)4-7-29-8-12-13(24)14(25)17(28-12)23-5-3-10-15(20)21-9-22-16(10)23/h3,5,9,11-14,17,24-25H,2,4,6-8,19H2,1H3,(H2,20,21,22)/t11?,12-,13-,14-,17-/m1/s1
SMILES: CCCCCC[C@@H](C)CCCCCCCCCCC[C@H]1[C@H]([C@@H](N1)CO)O
InChI: InChI=1S/C23H47NO2/c1-3-4-5-13-16-20(2)17-14-11-9-7-6-8-10-12-15-18-21-23(26)22(19-25)24-21/h20-26H,3-19H2,1-2H3/t20-,21+,22+,23-/m1/s1
SMILES: C[C@H]([C@@H](C1=CC=C(C=C1)O)O)[NH2+][C@@H]2C[C@@H]3[C@@H]2C=CC3
InChI: InChI=1S/C16H21NO2/c1-10(16(19)11-5-7-13(18)8-6-11)17-15-9-12-3-2-4-14(12)15/h2,4-8,10,12,14-19H,3,9H2,1H3/p+1/t10-,12-,14+,15-,16+/m1/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(CCOCCO)C(=O)OC
InChI: InChI=1S/C43H60N2O10/c1-6-22-52-43-39(45(42(49)50-5)18-23-51-24-21-48)28-37(44-53-7-2)35-26-31(12-8-10-19-46)34(13-9-11-20-47)40(41(35)43)36-27-33(16-17-38(36)55-43)54-32-15-14-29(3)30(4)25-32/h6,14-17,25-27,31,34,39-41,46-48H,1,7-13,18-24,28H2,2-5H3/t31-,34+,39-,40+,41+,43+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1OC)CO)O)N=[N+]=[N-]
InChI: InChI=1S/C8H15N3O5/c1-14-7-5(10-11-9)6(13)4(3-12)16-8(7)15-2/h4-8,12-13H,3H2,1-2H3/t4-,5-,6+,7-,8-/m1/s1
SMILES: CC(C)(C)OC(=O)N1CCC(=O)C(C1)[C@@H]2C=C[C@@H]3[C@H](O2)CO[Si](O3)(C(C)(C)C)C(C)(C)C
InChI: InChI=1S/C24H41NO6Si/c1-22(2,3)30-21(27)25-13-12-17(26)16(14-25)18-10-11-19-20(29-18)15-28-32(31-19,23(4,5)6)24(7,8)9/h10-11,16,18-20H,12-15H2,1-9H3/t16?,18-,19+,20+/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3)C(C)C
InChI: InChI=1S/C21H28O6/c1-13(2)16-6-4-14(3)10-18(16)27-20(22)12-26-21(23)15-5-7-17-19(11-15)25-9-8-24-17/h5,7,11,13-14,16,18H,4,6,8-10,12H2,1-3H3/t14-,16+,18+/m0/s1
SMILES: COC1=CC=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)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7)C(=O)N(C3=O)C9=CC=C(C=C9)C1=NC2=CC=CC=C2O1)O
InChI: InChI=1S/C47H34N4O8/c1-57-37-12-6-9-34(52)41(37)39-28-21-22-29-38(46(55)50(44(29)53)26-17-13-24(14-18-26)42-48-32-7-2-4-10-35(32)58-42)30(28)23-31-40(39)47(56)51(45(31)54)27-19-15-25(16-20-27)43-49-33-8-3-5-11-36(33)59-43/h2-21,29-31,38-40,52H,22-23H2,1H3/t29-,30+,31+,38-,39-,40+/m0/s1
SMILES: C[C@@H]1C[C@](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@H]2COC(O2)(C)C)O)(C(=O)OC)OC
InChI: InChI=1S/C17H29NO8/c1-9-7-17(23-6,15(21)22-5)26-14(12(9)18-10(2)19)13(20)11-8-24-16(3,4)25-11/h9,11-14,20H,7-8H2,1-6H3,(H,18,19)/t9-,11-,12-,13-,14-,17+/m1/s1
SMILES: CC(C)N1C(=O)[C@H]2[C@H](N(O[C@H]2C1=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C20H19N3O5/c1-12(2)21-19(24)16-17(13-8-10-15(11-9-13)23(26)27)22(28-18(16)20(21)25)14-6-4-3-5-7-14/h3-12,16-18H,1-2H3/t16-,17+,18+/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)C3=CC(=C4C(=C3)C5=CC=CC=C5C4=O)CN6C=[N+](C=N6)C)O
InChI: InChI=1S/C26H22N4O5/c1-13(31)21-20-9-18(23(26(34)35)30(20)25(21)33)14-7-15(10-29-12-28(2)11-27-29)22-19(8-14)16-5-3-4-6-17(16)24(22)32/h3-8,11-13,20-21,31H,9-10H2,1-2H3/p+1/t13-,20-,21-/m1/s1
SMILES: C[C@@H](CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O)CCl
InChI: InChI=1S/C27H43ClO6/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,30-34H,5-10,12-14H2,1-4H3/t15-,16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)N(CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4Cl
InChI: InChI=1S/C23H18ClN3O6/c24-19-8-4-3-7-18(19)21(29)25(13-20(28)14-9-11-15(12-10-14)27(32)33)26-22(30)16-5-1-2-6-17(16)23(26)31/h1-4,7-12,16-17H,5-6,13H2/t16-,17-/m1/s1
SMILES: COC1=CC=C(C=C1)CN2[C@@H]3[C@@H]([C@@H](C[C@H]([C@@H]3O)O)C(=O)N)N(C2=S)C4=CC=CC=C4
InChI: InChI=1S/C22H25N3O4S/c1-29-15-9-7-13(8-10-15)12-24-19-18(16(21(23)28)11-17(26)20(19)27)25(22(24)30)14-5-3-2-4-6-14/h2-10,16-20,26-27H,11-12H2,1H3,(H2,23,28)/t16-,17-,18-,19-,20+/m1/s1
SMILES: CN(C)CC(=O)OC1=C(C=C(C=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)[N+](=O)[O-])OC.Cl
InChI: InChI=1S/C31H31N3O10.ClH/c1-33(2)13-26(35)44-30-24(39-3)9-16(10-25(30)40-4)27-19-11-22-23(43-15-42-22)12-20(19)29(21-14-41-31(36)28(21)27)32-17-5-7-18(8-6-17)34(37)38;/h5-12,21,27-29,32H,13-15H2,1-4H3;1H/t21-,27+,28-,29+;/m0./s1
SMILES: CC(=NNC(=O)N)[C@@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C24H37N3O3/c1-14(26-27-22(25)29)19-7-8-20-18-6-5-16-13-17(30-15(2)28)9-11-23(16,3)21(18)10-12-24(19,20)4/h5,17-21H,6-13H2,1-4H3,(H3,25,27,29)/t17-,18+,19-,20+,21+,23-,24+/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)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)OCC=C)N=[N+]=[N-])CO)O)O
InChI: InChI=1S/C26H42N4O18/c1-3-4-43-23-15(29-30-27)20(17(38)12(7-32)44-23)46-24-19(40)22(18(39)13(8-33)45-24)48-26(25(41)42)5-10(35)14(28-9(2)34)21(47-26)16(37)11(36)6-31/h3,10-24,31-33,35-40H,1,4-8H2,2H3,(H,28,34)(H,41,42)/t10-,11+,12+,13+,14+,15+,16+,17-,18-,19+,20+,21+,22-,23+,24-,26-/m0/s1
SMILES: CC(C)CCN([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=C(C=C(C=C2I)C=O)OC)C(=O)NCCO)C(=O)CC3CCCC3
InChI: InChI=1S/C29H41IN2O7/c1-18(2)8-10-32(26(35)14-19-6-4-5-7-19)23-15-21(29(37)31-9-11-33)16-24(27(23)36)39-28-22(30)12-20(17-34)13-25(28)38-3/h12-13,16-19,23-24,27,33,36H,4-11,14-15H2,1-3H3,(H,31,37)/t23-,24+,27+/m1/s1
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1C[C@H]([C@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O
InChI: InChI=1S/C30H50O2/c1-18(2)19(3)9-10-20(4)23-17-24(31)27-21-11-12-25-28(5,6)26(32)14-16-29(25,7)22(21)13-15-30(23,27)8/h9-10,18-20,23-27,31-32H,11-17H2,1-8H3/b10-9+/t19-,20+,23+,24+,25-,26-,27-,29+,30+/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)OCC6=C(N7[C@@H]([C@H](C7=O)Cl)S(=O)(=O)C6)C(=O)OC(C)(C)C)O
InChI: InChI=1S/C40H43ClN2O18S/c1-15-30(46)19(42-38(53)58-13-16-14-62(55,56)36-28(41)35(51)43(36)29(16)37(52)61-39(2,3)4)9-23(59-15)60-21-11-40(54,22(45)12-44)10-18-25(21)34(50)27-26(32(18)48)31(47)17-7-6-8-20(57-5)24(17)33(27)49/h6-8,15,19,21,23,28,30,36,44,46,48,50,54H,9-14H2,1-5H3,(H,42,53)/t15-,19-,21-,23-,28-,30+,36+,40-/m0/s1
SMILES: CC1(O[C@@H]2[C@H]3C=C[C@@H]([C@@]2(O1)C(=O)OC)N4N3C(=O)N(C4=O)C5=CC=CC=C5)C
InChI: InChI=1S/C19H19N3O6/c1-18(2)27-14-12-9-10-13(19(14,28-18)15(23)26-3)22-17(25)20(16(24)21(12)22)11-7-5-4-6-8-11/h4-10,12-14H,1-3H3/t12-,13+,14-,19+/m1/s1
SMILES: C[C@H]([C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCOC)[C@@]3(N1)C4=CC=CC=C4NC3=O)O
InChI: InChI=1S/C18H21N3O5/c1-9(22)14-12-13(16(24)21(15(12)23)7-8-26-2)18(20-14)10-5-3-4-6-11(10)19-17(18)25/h3-6,9,12-14,20,22H,7-8H2,1-2H3,(H,19,25)/t9-,12+,13+,14-,18+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@@H]3[C@H]2NC(=O)O3
InChI: InChI=1S/C13H14N2O4S/c1-8-2-4-9(5-3-8)20(17,18)15-10-6-7-11-12(10)14-13(16)19-11/h2-7,10-12,15H,1H3,(H,14,16)/t10-,11-,12+/m1/s1
SMILES: CC(=C1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)C)C)C
InChI: InChI=1S/C31H48O2/c1-20(2)21-11-13-28(5)22(21)12-14-30(7)25(28)10-9-23-24-19-27(3,4)15-17-31(24,26(32)33-8)18-16-29(23,30)6/h9,22,24-25H,10-19H2,1-8H3/t22-,24-,25+,28-,29+,30+,31-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)OC([C@@]2([C@H]([C@@H]([C@H](O2)CO)OC(=O)C)OC(=O)C)O)OC(=O)C)CO
InChI: InChI=1S/C20H30O16/c1-7(23)30-15-11(5-21)34-18(14(28)13(15)27)35-19(33-10(4)26)20(29)17(32-9(3)25)16(31-8(2)24)12(6-22)36-20/h11-19,21-22,27-29H,5-6H2,1-4H3/t11-,12-,13-,14-,15-,16-,17+,18-,19?,20+/m1/s1
SMILES: CC(=O)OC[C@@]1([C@H]([C@@H]([C@H]([C@@H](O1)Cl)OC(=O)C)OC(=O)C)OC(=O)C)Br
InChI: InChI=1S/C14H18BrClO9/c1-6(17)21-5-14(15)12(24-9(4)20)10(22-7(2)18)11(13(16)25-14)23-8(3)19/h10-13H,5H2,1-4H3/t10-,11-,12+,13-,14-/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC(=CC=C3)F
InChI: InChI=1S/C18H17FN2O5/c19-11-4-3-5-12(8-11)20-15(22)10-26-16(23)9-21-17(24)13-6-1-2-7-14(13)18(21)25/h1-5,8,13-14H,6-7,9-10H2,(H,20,22)/t13-,14+
SMILES: COC[C@H](C1=CC=CC=C1)N2[C@H]([C@@H](C2=O)C=C)C3=CC=CC=C3
InChI: InChI=1S/C20H21NO2/c1-3-17-19(16-12-8-5-9-13-16)21(20(17)22)18(14-23-2)15-10-6-4-7-11-15/h3-13,17-19H,1,14H2,2H3/t17-,18+,19-/m0/s1
SMILES: CCCCCCCC/C=C/[C@H]1CCC[C@H]2N1[C@H]([C@@H](CC2)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C
InChI: InChI=1S/C36H55NOSi/c1-6-7-8-9-10-11-12-15-21-31-22-20-23-32-28-29-35(30(2)37(31)32)38-39(36(3,4)5,33-24-16-13-17-25-33)34-26-18-14-19-27-34/h13-19,21,24-27,30-32,35H,6-12,20,22-23,28-29H2,1-5H3/b21-15+/t30-,31-,32+,35+/m0/s1
SMILES: CCCOC1=CC2=C(C=C1)[C@@H]([C@H]([C@@H]2C3=CC=C(C=C3)OC)C(=O)O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C27H26O6/c1-3-12-31-19-9-10-20-21(14-19)24(16-4-7-18(30-2)8-5-16)26(27(28)29)25(20)17-6-11-22-23(13-17)33-15-32-22/h4-11,13-14,24-26H,3,12,15H2,1-2H3,(H,28,29)/t24-,25+,26+/m1/s1
SMILES: C1CC1CN2CC[C@]34CC(=O)CC[C@]3([C@H]2CC5=C4C=C(C=C5)O)CC6=CC=CC=C6
InChI: InChI=1S/C27H31NO2/c29-22-9-8-21-14-25-27(16-19-4-2-1-3-5-19)11-10-23(30)17-26(27,24(21)15-22)12-13-28(25)18-20-6-7-20/h1-5,8-9,15,20,25,29H,6-7,10-14,16-18H2/t25-,26-,27-/m1/s1
SMILES: C1COC[C@H]1OC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC(C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)SC5=CC=CC=C5
InChI: InChI=1S/C31H33N3O6S/c35-26-18-21-11-7-8-14-24(21)27(26)33-29(37)30(41-23-12-5-2-6-13-23)34-28(36)25(17-20-9-3-1-4-10-20)32-31(38)40-22-15-16-39-19-22/h1-14,22,25-27,30,35H,15-19H2,(H,32,38)(H,33,37)(H,34,36)/t22-,25-,26+,27-,30?/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(N2N)COC3=CC=C(C=C3)C(C)(C)C
InChI: InChI=1S/C22H33N5O2S/c1-15-7-5-6-8-18(15)24-20(28)14-30-21-26-25-19(27(21)23)13-29-17-11-9-16(10-12-17)22(2,3)4/h9-12,15,18H,5-8,13-14,23H2,1-4H3,(H,24,28)/t15-,18+/m1/s1
SMILES: CCC1=C2C(=CC=C1)C(=CN2)C(=O)COC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C23H24N2O5/c1-2-14-6-5-9-15-18(12-24-21(14)15)19(26)13-30-20(27)10-11-25-22(28)16-7-3-4-8-17(16)23(25)29/h3-6,9,12,16-17,24H,2,7-8,10-11,13H2,1H3/t16-,17-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)OCCO)C5=CC=C(C=C5)Cl)NC6=C(C=C(C=N6)C(F)(F)F)Cl)[C@@H]7[C@H]1C(=O)NC7=O
InChI: InChI=1S/C34H27Cl2F3N4O6/c35-19-5-3-17(4-6-19)33-24(31(47)43(32(33)48)42-28-25(36)13-18(15-40-28)34(37,38)39)14-23-21(9-10-22-26(23)30(46)41-29(22)45)27(33)16-1-7-20(8-2-16)49-12-11-44/h1-9,13,15,22-24,26-27,44H,10-12,14H2,(H,40,42)(H,41,45,46)/t22-,23+,24-,26-,27-,33+/m0/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=CO5
InChI: InChI=1S/C22H18N2O5/c1-27-16-11-9-14(10-12-16)23-21(25)18-19(17-8-5-13-28-17)24(29-20(18)22(23)26)15-6-3-2-4-7-15/h2-13,18-20H,1H3/t18-,19+,20+/m1/s1
SMILES: CCCCCCCCCCCC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOC3CCCCO3)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OC7=CC(=C(C=C7)OC)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C59H79FN2O10/c1-4-6-7-8-9-10-11-12-13-22-55(66)62(40-42-24-26-45(60)27-25-42)54-39-51(61-72-56-23-16-19-35-68-56)49-37-43(20-14-17-32-63)48(21-15-18-33-64)57-50-38-47(70-46-28-30-52(67-3)44(36-46)41-65)29-31-53(50)71-59(54,58(49)57)69-34-5-2/h5,24-31,36-38,41,43,48,54,56-58,63-64H,2,4,6-23,32-35,39-40H2,1,3H3/t43-,48+,54-,56?,57+,58+,59+/m0/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=C5CCCC5=C(C=C4)C(=O)N)C(=O)[O-]
InChI: InChI=1S/C23H23N7O6S2/c1-36-28-15(13-9-38-23(25)26-13)19(32)27-16-20(33)30-17(22(34)35)10(8-37-21(16)30)7-29-6-5-12(18(24)31)11-3-2-4-14(11)29/h5-6,9,16,21H,2-4,7-8H2,1H3,(H5-,24,25,26,27,31,32,34,35)/b28-15-/t16-,21-/m1/s1
SMILES: CC1=CC=CC=C1NC(=O)[C@H]2[C@H]3[C@H]4CCCC[C@]4(NC2=O)OC5=CC=CC=C35
InChI: InChI=1S/C23H24N2O3/c1-14-8-2-4-11-17(14)24-21(26)20-19-15-9-3-5-12-18(15)28-23(25-22(20)27)13-7-6-10-16(19)23/h2-5,8-9,11-12,16,19-20H,6-7,10,13H2,1H3,(H,24,26)(H,25,27)/t16-,19-,20-,23+/m1/s1
SMILES: C[N+]1(C[C@H]([C@H](C1)O)O)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-]
InChI: InChI=1S/C19H24N6O7S2/c1-25(4-10(26)11(27)5-25)3-8-6-33-17-13(16(29)24(17)14(8)18(30)31)22-15(28)12(23-32-2)9-7-34-19(20)21-9/h7,10-11,13,17,26-27H,3-6H2,1-2H3,(H3-,20,21,22,28,30,31)/b23-12-/t10-,11+,13-,17-,25?/m1/s1
SMILES: CCCCCCCCCCCCC[C@@H]1[C@H]([C@H](C(O1)O)O)[C@@H](C)COCC2=CC=CC=C2
InChI: InChI=1S/C27H46O4/c1-3-4-5-6-7-8-9-10-11-12-16-19-24-25(26(28)27(29)31-24)22(2)20-30-21-23-17-14-13-15-18-23/h13-15,17-18,22,24-29H,3-12,16,19-21H2,1-2H3/t22-,24+,25+,26+,27?/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2CC(=O)NC4=CN=C(C=C4)C(=O)N)CCC5[C@@]3(C=CC(=O)N5C)C
InChI: InChI=1S/C27H36N4O3/c1-26-12-10-20-18(6-9-22-27(20,2)13-11-24(33)31(22)3)19(26)7-4-16(26)14-23(32)30-17-5-8-21(25(28)34)29-15-17/h5,8,11,13,15-16,18-20,22H,4,6-7,9-10,12,14H2,1-3H3,(H2,28,34)(H,30,32)/t16-,18?,19?,20?,22?,26-,27-/m1/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC6=CC=CC(=C6)[N+](=O)[O-])CCCCO)CCCCO)N(CCOCCO)C(=O)OCCOCC7=CC=CC=C7
InChI: InChI=1S/C54H65N3O13/c1-2-28-67-54-50(56(24-29-64-30-27-60)53(61)66-32-31-65-37-39-14-5-3-6-15-39)36-48(55-68-38-40-16-7-4-8-17-40)46-33-41(18-9-11-25-58)45(21-10-12-26-59)51(52(46)54)47-35-44(22-23-49(47)70-54)69-43-20-13-19-42(34-43)57(62)63/h2-8,13-17,19-20,22-23,33-35,41,45,50-52,58-60H,1,9-12,18,21,24-32,36-38H2/t41-,45+,50-,51+,52+,54+/m0/s1
SMILES: C1=CC=C(C=C1)CN2[C@@H]3[C@H]([C@H](N2)C4=CC=CS4)C(=O)NC3=O
InChI: InChI=1S/C16H15N3O2S/c20-15-12-13(11-7-4-8-22-11)18-19(14(12)16(21)17-15)9-10-5-2-1-3-6-10/h1-8,12-14,18H,9H2,(H,17,20,21)/t12-,13+,14+/m0/s1
SMILES: C1CCC(C1)(C2=CN(N=N2)C[C@H]3C[C@@H]4CC[NH+]3C[C@@H]4C(=O)NC5CC5)O
InChI: InChI=1S/C19H29N5O2/c25-18(20-14-3-4-14)16-11-23-8-5-13(16)9-15(23)10-24-12-17(21-22-24)19(26)6-1-2-7-19/h12-16,26H,1-11H2,(H,20,25)/p+1/t13-,15+,16-/m0/s1
SMILES: C[C@H]1[C@@]2(CC[C@]([C@@]13CC[C@@]([C@@H](C3)Br)(C)Cl)(O2)C)C
InChI: InChI=1S/C15H24BrClO/c1-10-13(3)6-7-14(4,18-13)15(10)8-5-12(2,17)11(16)9-15/h10-11H,5-9H2,1-4H3/t10-,11+,12+,13-,14+,15+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(N3C=CN=C3)N4C=CN=C4)OC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC
InChI: InChI=1S/C37H37N6O7P/c1-26-22-43(36(45)40-35(26)44)34-21-32(33(49-34)23-48-51(41-19-17-38-24-41)42-20-18-39-25-42)50-37(27-7-5-4-6-8-27,28-9-13-30(46-2)14-10-28)29-11-15-31(47-3)16-12-29/h4-20,22,24-25,32-34H,21,23H2,1-3H3,(H,40,44,45)/t32-,33+,34+/m0/s1
SMILES: C1[C@@H]2[C@@H](CS1(=O)=O)N(C(=O)N2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)F
InChI: InChI=1S/C17H14FN3O5S/c18-11-1-3-12(4-2-11)19-15-9-27(25,26)10-16(15)20(17(19)22)13-5-7-14(8-6-13)21(23)24/h1-8,15-16H,9-10H2/t15-,16-/m1/s1
SMILES: C[N+]1=CC=CC(=C1C=O)OCCCCCCCOC2=C[N+](=C(C=C2)C(OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)OP(=O)(O)OC[C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C(N=CN=C87)N)O)C.[I-].[I-]
InChI: InChI=1S/C41H52N12O15P2.2HI/c1-50-12-8-9-30(27(50)18-54)62-14-7-5-3-4-6-13-61-25-10-11-26(51(2)17-25)41(67-69(57,58)63-19-31-28(55)15-33(65-31)52-23-48-35-37(42)44-21-46-39(35)52)68-70(59,60)64-20-32-29(56)16-34(66-32)53-24-49-36-38(43)45-22-47-40(36)53;;/h8-12,17-18,21-24,28-29,31-34,41,55-56H,3-7,13-16,19-20H2,1-2H3,(H4-2,42,43,44,45,46,47,57,58,59,60);2*1H/t28-,29-,31+,32+,33+,34+;;/m0../s1
SMILES: C[C@@H]1CC[C@H]([C@H](C1)OC(=O)C2[C@H](CCC2=O)C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C23H32O3/c1-15-10-12-18(23(2,3)4)20(14-15)26-22(25)21-17(11-13-19(21)24)16-8-6-5-7-9-16/h5-9,15,17-18,20-21H,10-14H2,1-4H3/t15-,17-,18-,20+,21?/m1/s1
SMILES: CCCCCCCCCCCC(=O)O[C@@]12C[C@H]([C@]34C=C([C@@H]([C@]3([C@@H](C(=C[C@@H]([C@@H]1C2(C)C)C4=O)CO)O)O)OC(=O)C(C)(C)C)C)C
InChI: InChI=1S/C37H58O8/c1-9-10-11-12-13-14-15-16-17-18-27(39)45-36-21-24(3)35-20-23(2)31(44-32(42)33(4,5)6)37(35,43)29(40)25(22-38)19-26(30(35)41)28(36)34(36,7)8/h19-20,24,26,28-29,31,38,40,43H,9-18,21-22H2,1-8H3/t24-,26+,28-,29-,31+,35+,36+,37+/m1/s1
SMILES: COC(=O)C[C@H]1[C@@H](C[C@@H]([C@@H]1COC(=O)C2=CC=CC=C2)O)O
InChI: InChI=1S/C16H20O6/c1-21-15(19)7-11-12(14(18)8-13(11)17)9-22-16(20)10-5-3-2-4-6-10/h2-6,11-14,17-18H,7-9H2,1H3/t11-,12-,13-,14+/m1/s1
SMILES: CC(C)(C(=O)O)O/N=C(/C1=C[Se]C(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)O
InChI: InChI=1S/C22H22N6O7SSe/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/p+1/b26-13-/t14-,18-/m1/s1
SMILES: CCN1C=C(C(=O)C2=C1N=CC(=C2)C)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)COC(=O)C)C(=O)O
InChI: InChI=1S/C22H22N4O7S/c1-4-25-7-14(17(28)13-5-10(2)6-23-18(13)25)19(29)24-15-20(30)26-16(22(31)32)12(8-33-11(3)27)9-34-21(15)26/h5-7,15,21H,4,8-9H2,1-3H3,(H,24,29)(H,31,32)/t15-,21-/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC=C(C=C5)OCCO)C(=O)N(C4=O)CCCC(=O)O)Cl
InChI: InChI=1S/C27H28Cl2N2O8/c1-30-24(37)26(28)13-18-16(8-9-17-20(18)23(36)31(22(17)35)10-2-3-19(33)34)21(27(26,29)25(30)38)14-4-6-15(7-5-14)39-12-11-32/h4-8,17-18,20-21,32H,2-3,9-13H2,1H3,(H,33,34)/t17-,18+,20-,21-,26+,27-/m0/s1
SMILES: C1=CC(=C2C(=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O)C(=O)NCCCCNP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)N7C=NC8=C(N=CN=C87)N)O)O
InChI: InChI=1S/C35H34N7O12P/c36-30-27-31(39-15-38-30)42(16-40-27)33-29(46)28(45)25(53-33)14-51-55(49,50)41-11-2-1-10-37-32(47)19-4-3-5-22-26(19)34(48)54-35(22)20-8-6-17(43)12-23(20)52-24-13-18(44)7-9-21(24)35/h3-9,12-13,15-16,25,28-29,33,43-46H,1-2,10-11,14H2,(H,37,47)(H2,36,38,39)(H2,41,49,50)/t25-,28-,29-,33-/m1/s1
SMILES: C1C[C@@H](N(C1)C(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C(=O)N(CCP(C4=CC=CC=C4)C5=CC=CC=C5)CCP(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C43H50N4O3P2S/c48-40(26-14-13-25-39-41-37(32-53-39)44-43(50)45-41)47-27-15-24-38(47)42(49)46(28-30-51(33-16-5-1-6-17-33)34-18-7-2-8-19-34)29-31-52(35-20-9-3-10-21-35)36-22-11-4-12-23-36/h1-12,16-23,37-39,41H,13-15,24-32H2,(H2,44,45,50)/t37-,38+,39-,41-/m0/s1
SMILES: C1CC2=C(C1)SC(=C2C#N)NC(=O)[C@H]3CC(=CC[C@H]3C(=O)O)Cl
InChI: InChI=1S/C16H15ClN2O3S/c17-8-4-5-10(16(21)22)11(6-8)14(20)19-15-12(7-18)9-2-1-3-13(9)23-15/h4,10-11H,1-3,5-6H2,(H,19,20)(H,21,22)/t10-,11+/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)Cl)O)OC)C(=O)N(C5=O)CCC7=CC=C(C=C7)O)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C42H36Cl3N3O8/c1-55-26-10-5-23(6-11-26)42-30(39(52)48(41(42)54)46-33-14-7-24(43)19-31(33)44)20-29-27(36(42)22-17-32(45)37(50)34(18-22)56-2)12-13-28-35(29)40(53)47(38(28)51)16-15-21-3-8-25(49)9-4-21/h3-12,14,17-19,28-30,35-36,46,49-50H,13,15-16,20H2,1-2H3/t28-,29+,30-,35-,36-,42+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(C)(C)[C@@H]2[C@@H](C3=C(O2)C=CC4=C3OC(=O)C=C4)O)O)O)O
InChI: InChI=1S/C22H26O11/c1-9(23)29-8-12-15(25)17(27)18(28)21(31-12)33-22(2,3)20-16(26)14-11(30-20)6-4-10-5-7-13(24)32-19(10)14/h4-7,12,15-18,20-21,25-28H,8H2,1-3H3/t12-,15-,16-,17+,18-,20+,21+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]3[C@H]4[C@H](C=C([C@@H]4CC(=O)C)C(=O)OC)C=C([C@@H]3[C@H]2O[Si](C)(C)C(C)(C)C)Br)OC)OC)OC
InChI: InChI=1S/C32H51BrO9Si/c1-16(34)12-19-20(30(35)39-9)13-18-14-22(33)25-21(24(18)19)15-23(27(25)42-43(10,11)32(3,4)5)41-31-29(38-8)28(37-7)26(36-6)17(2)40-31/h13-14,17-19,21,23-29,31H,12,15H2,1-11H3/t17-,18+,19-,21-,23-,24-,25+,26-,27-,28+,29+,31-/m0/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1CCC(=C)[C@@H]2CC3=C(C=CC(=C3)OC)OC)(C)C)O
InChI: InChI=1S/C23H34O3/c1-15-7-10-20-22(2,3)21(24)11-12-23(20,4)18(15)14-16-13-17(25-5)8-9-19(16)26-6/h8-9,13,18,20-21,24H,1,7,10-12,14H2,2-6H3/t18-,20-,21-,23+/m0/s1
SMILES: CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H25N3O5/c1-22(11-17(24)21-13-7-9-14(28-2)10-8-13)18(25)12-23-19(26)15-5-3-4-6-16(15)20(23)27/h7-10,15-16H,3-6,11-12H2,1-2H3,(H,21,24)/t15-,16-/m0/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC5=C(C=C4)N=CN5)C(=O)[O-]
InChI: InChI=1S/C20H18N8O5S2/c1-33-26-13(12-7-35-20(21)24-12)16(29)25-14-17(30)28-15(19(31)32)9(6-34-18(14)28)4-27-3-2-10-11(5-27)23-8-22-10/h2-3,5,7-8,14,18H,4,6H2,1H3,(H4,21,24,25,29,31,32)/b26-13-/t14-,18-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@H](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C
InChI: InChI=1S/C20H29NO12/c1-9(22)21-17-14(30-11(3)24)7-15(20(27)28-6)33-19(17)18(32-13(5)26)16(31-12(4)25)8-29-10(2)23/h14-19H,7-8H2,1-6H3,(H,21,22)/t14-,15+,16+,17+,18+,19+/m0/s1
SMILES: C1C[C@H]2C=C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O
InChI: InChI=1S/C17H15NO4/c19-15-13-9-4-5-10(7-6-9)14(13)16(20)18(15)12-3-1-2-11(8-12)17(21)22/h1-5,8-10,13-14H,6-7H2,(H,21,22)/t9-,10+,13-,14+