EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C=CC[C@H]([C@@H]1C(=O)NC2=C(C(=CC=C2)Cl)Cl)C(=O)[O-]
InChI: InChI=1S/C14H13Cl2NO3/c15-10-6-3-7-11(12(10)16)17-13(18)8-4-1-2-5-9(8)14(19)20/h1-3,6-9H,4-5H2,(H,17,18)(H,19,20)/p-1/t8-,9-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3C
InChI: InChI=1S/C18H25N5O/c1-12-8-6-10-16(14(12)3)19-17(24)11-23-21-18(20-22-23)15-9-5-4-7-13(15)2/h4-5,7,9,12,14,16H,6,8,10-11H2,1-3H3,(H,19,24)/t12-,14-,16+/m0/s1
SMILES: C1=CC(=CC=C1CN2C(=O)C=CN(C2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)F
InChI: InChI=1S/C16H16F2N2O5/c17-10-3-1-9(2-4-10)7-20-12(22)5-6-19(16(20)24)15-13(18)14(23)11(8-21)25-15/h1-6,11,13-15,21,23H,7-8H2/t11-,13-,14-,15-/m1/s1
SMILES: C[C@]12CCC(=O)C=C1C[C@H](C3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CCC(=O)O)O)C)C(=O)OC
InChI: InChI=1S/C24H34O6/c1-22-8-4-15(25)12-14(22)13-16(21(28)30-3)20-17(22)5-9-23(2)18(20)6-10-24(23,29)11-7-19(26)27/h12,16-18,20,29H,4-11,13H2,1-3H3,(H,26,27)/t16-,17+,18+,20?,22+,23+,24-/m1/s1
SMILES: CCC[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3=CC=CC=C3Br)ON1C4=CC=CC=C4
InChI: InChI=1S/C20H19BrN2O3/c1-2-8-16-17-18(26-23(16)13-9-4-3-5-10-13)20(25)22(19(17)24)15-12-7-6-11-14(15)21/h3-7,9-12,16-18H,2,8H2,1H3/t16-,17-,18+/m1/s1
SMILES: C1CC[C@@H]2C[NH+](CC[C@@H]2C1)CC(=O)NC3=C(C(=CC=C3)Cl)Cl
InChI: InChI=1S/C17H22Cl2N2O/c18-14-6-3-7-15(17(14)19)20-16(22)11-21-9-8-12-4-1-2-5-13(12)10-21/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,20,22)/p+1/t12-,13+/m0/s1
SMILES: C1[C@H]2C=C[C@@H]([C@H]1[N+](=O)[O-])[C@@]2(C3=CC=CC=C3)C4=CC=CC=N4
InChI: InChI=1S/C18H16N2O2/c21-20(22)16-12-14-9-10-15(16)18(14,13-6-2-1-3-7-13)17-8-4-5-11-19-17/h1-11,14-16H,12H2/t14-,15+,16+,18+/m1/s1
SMILES: C1CCC(CC1)C[NH2+][C@H]2CO[C@H]3[C@@H]2OC[C@@H]3N4C(=NN=N4)OC5=CC=C(C=C5)N6C=CN=C6
InChI: InChI=1S/C23H29N7O3/c1-2-4-16(5-3-1)12-25-19-13-31-22-20(14-32-21(19)22)30-23(26-27-28-30)33-18-8-6-17(7-9-18)29-11-10-24-15-29/h6-11,15-16,19-22,25H,1-5,12-14H2/p+1/t19-,20-,21+,22+/m0/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CCOCCO)[C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC(=O)NCC5=CC=CC=C5)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C56H85N3O11/c1-6-8-9-10-11-12-13-14-15-23-35-66-54(64)59(30-36-65-37-33-62)50-40-48(58-70-55(3,4)5)46-38-43(26-19-21-31-60)45(27-20-22-32-61)51-47-39-44(68-53(63)57-41-42-24-17-16-18-25-42)28-29-49(47)69-56(50,52(46)51)67-34-7-2/h7,16-18,24-25,28-29,38-39,43,45,50-52,60-62H,2,6,8-15,19-23,26-27,30-37,40-41H2,1,3-5H3,(H,57,63)/t43-,45+,50-,51+,52+,56+/m0/s1
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H](O1)OC(=O)C3=CC=CC=C3)OC(O2)(C)C
InChI: InChI=1S/C16H20O5/c1-10-9-12-13(21-16(2,3)20-12)15(18-10)19-14(17)11-7-5-4-6-8-11/h4-8,10,12-13,15H,9H2,1-3H3/t10-,12+,13+,15+/m0/s1
SMILES: CC1=C(N2[C@@H]([C@H](C2=O)OC)S(=O)(=O)C13CC34CCCC4)C(=O)N5CCN(CC5)C(=O)O
InChI: InChI=1S/C20H27N3O7S/c1-12-13(15(24)21-7-9-22(10-8-21)18(26)27)23-16(25)14(30-2)17(23)31(28,29)20(12)11-19(20)5-3-4-6-19/h14,17H,3-11H2,1-2H3,(H,26,27)/t14-,17+,20?/m0/s1
SMILES: C/C(=C\CO)/CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CC[C@@H](C2(C)C)O)C
InChI: InChI=1S/C20H34O2/c1-14(11-13-21)6-8-16-15(2)7-9-17-19(3,4)18(22)10-12-20(16,17)5/h11,16-18,21-22H,2,6-10,12-13H2,1,3-5H3/b14-11+/t16-,17-,18-,20+/m0/s1
SMILES: CC1=C(C(=CC=C1)C)NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C24H30N2O5/c1-12(2)21(26-22(28)18-15-8-9-16(10-15)19(18)23(26)29)24(30)31-11-17(27)25-20-13(3)6-5-7-14(20)4/h5-7,12,15-16,18-19,21H,8-11H2,1-4H3,(H,25,27)/t15-,16+,18-,19-,21+/m0/s1
SMILES: CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2=O
InChI: InChI=1S/C19H22N2O4/c1-2-25-14-7-5-13(6-8-14)20-15(22)10-21-18(23)16-11-3-4-12(9-11)17(16)19(21)24/h5-8,11-12,16-17H,2-4,9-10H2,1H3,(H,20,22)/t11-,12+,16+,17-
SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@H](C[C@H]2[C@H]1[C@H]([C@H](C=C2)C)CCC[C@@H]3C[C@H](CC(=O)O3)O)/C=C/C
InChI: InChI=1S/C28H44O5/c1-6-9-19-14-20-13-12-18(3)23(11-8-10-22-16-21(29)17-25(30)32-22)26(20)24(15-19)33-27(31)28(4,5)7-2/h6,9,12-13,18-24,26,29H,7-8,10-11,14-17H2,1-5H3/b9-6+/t18-,19-,20-,21+,22+,23-,24-,26-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@]2(CC3=C1N=C(S3)NC4=C(C=CC=C4Cl)Cl)C)[C@H](C)C(=O)N(C)CC#C)O
InChI: InChI=1S/C26H31Cl2N3O2S/c1-6-12-31(5)24(33)14(2)16-10-11-26(4)13-19-21(15(3)20(26)23(16)32)29-25(34-19)30-22-17(27)8-7-9-18(22)28/h1,7-9,14-16,20,23,32H,10-13H2,2-5H3,(H,29,30)/t14-,15-,16-,20+,23-,26-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CC[C@]([C@]2(C)CBr)(C)COC3CCCCO3
InChI: InChI=1S/C22H33BrO5S/c1-17-7-9-19(10-8-17)29(24,25)28-14-18-11-12-21(2,22(18,3)15-23)16-27-20-6-4-5-13-26-20/h7-10,18,20H,4-6,11-16H2,1-3H3/t18-,20?,21+,22+/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@H](C(C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)C(C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)C(C)C)O)(C)OC)C)C)C(=C)CO2)C
InChI: InChI=1S/C34H56O9/c1-13-25-34(11)26(19(5)16-40-34)21(7)27(35)18(4)15-33(10,39-12)30(22(8)28(36)23(9)31(38)42-25)43-32-29(37)24(17(2)3)14-20(6)41-32/h17-18,20-26,29-30,32,37H,5,13-16H2,1-4,6-12H3/t18-,20-,21?,22+,23?,24-,25-,26+,29-,30-,32+,33-,34-/m1/s1
SMILES: C[C@H]1C=CC[C@H]2C[C@@H]1C(=C2[Si](C)(C)C)[Si](C)(C)C
InChI: InChI=1S/C16H30Si2/c1-12-9-8-10-13-11-14(12)16(18(5,6)7)15(13)17(2,3)4/h8-9,12-14H,10-11H2,1-7H3/t12-,13-,14-/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NCCC3=CC=CC=N3
InChI: InChI=1S/C18H24N4O3/c1-13-6-2-4-9-18(13)16(24)22(17(25)21-18)12-15(23)20-11-8-14-7-3-5-10-19-14/h3,5,7,10,13H,2,4,6,8-9,11-12H2,1H3,(H,20,23)(H,21,25)/t13-,18-/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@]2([C@@H]3CC[C@@]4(C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C5=CC(=O)OC5)C)C=O)O)O)O
InChI: InChI=1S/C25H34O8/c1-14(27)33-19-11-25(31)18-5-8-24(30)10-16(28)3-7-23(24,13-26)17(18)4-6-22(25,2)21(19)15-9-20(29)32-12-15/h9,13,16-19,21,28,30-31H,3-8,10-12H2,1-2H3/t16-,17-,18+,19-,21-,22+,23-,24-,25-/m0/s1
SMILES: CC(=C)C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)O)O
InChI: InChI=1S/C13H15FN2O7/c1-5(2)12(20)22-4-7-8(17)9(18)11(23-7)16-3-6(14)10(19)15-13(16)21/h3,7-9,11,17-18H,1,4H2,2H3,(H,15,19,21)/t7-,8-,9-,11-/m1/s1
SMILES: CC1=CC(=CC=C1)OC2=CC=C(C=C2)N3C(=O)[C@@H]4[C@@H](C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI: InChI=1S/C31H23NO3/c1-18-7-6-8-21(17-18)35-20-15-13-19(14-16-20)32-30(33)28-26-22-9-2-3-10-23(22)27(29(28)31(32)34)25-12-5-4-11-24(25)26/h2-17,26-29H,1H3/t26?,27?,28-,29-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4
InChI: InChI=1S/C24H26N2O4/c1-15-7-6-10-20(16(15)2)25-22(27)14-29-24(28)18-11-12-21-19(13-18)23(30-26-21)17-8-4-3-5-9-17/h3-5,8-9,11-13,15-16,20H,6-7,10,14H2,1-2H3,(H,25,27)/t15-,16-,20+/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N(CC2=C(C=C(C=C2)OC)OC)C[C@@]3(CC[C@@H]4[C@@]3(CCC=C(CC[C@@H](CC5=CC(=C4C=C5)C(=O)C6=CC=C(S6)C)O)C)C)O)C(C)C
InChI: InChI=1S/C48H65NO7S/c1-30(2)38-18-12-32(4)24-43(38)56-46(52)49(28-35-15-17-37(54-7)27-42(35)55-8)29-48(53)23-21-41-39-19-14-34(26-40(39)45(51)44-20-13-33(5)57-44)25-36(50)16-11-31(3)10-9-22-47(41,48)6/h10,13-15,17,19-20,26-27,30,32,36,38,41,43,50,53H,9,11-12,16,18,21-25,28-29H2,1-8H3/t32-,36-,38+,41-,43-,47-,48+/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=C4CN)CN(C)CCC5=CC=CC=N5
InChI: InChI=1S/C34H39N3O3/c1-24-32(22-37(2)20-18-30-8-5-6-19-36-30)39-34(40-33(24)27-12-10-25(23-38)11-13-27)28-16-14-26(15-17-28)31-9-4-3-7-29(31)21-35/h3-17,19,24,32-34,38H,18,20-23,35H2,1-2H3/t24-,32+,33+,34+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@@H](OC([C@H](C1O)O[C@H]2[C@H](C([C@H](C(O2)CO)O)O)O)CO)O
InChI: InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5?,6?,7-,8-,9?,10?,11-,12+,13+,14-/m0/s1
SMILES: CC[C@@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC(=CC=C3)F)C(=O)N(C2=O)CC)C(=O)OCC
InChI: InChI=1S/C19H23FN2O4/c1-4-19(18(25)26-6-3)14-13(16(23)22(5-2)17(14)24)15(21-19)11-8-7-9-12(20)10-11/h7-10,13-15,21H,4-6H2,1-3H3/t13-,14+,15-,19+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H]([C@@H](CC(O3)(C4=NC=CS4)OC)O)O
InChI: InChI=1S/C26H33NO5SSi/c1-25(2,3)34(19-11-7-5-8-12-19,20-13-9-6-10-14-20)31-18-22-23(29)21(28)17-26(30-4,32-22)24-27-15-16-33-24/h5-16,21-23,28-29H,17-18H2,1-4H3/t21-,22-,23+,26?/m1/s1
SMILES: CCCN([C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC(=C(C=C5)OC)C=O)OCC=C)CCCCO)CCCCO)S(=O)(=O)C6=CC=CC7=C6N=CC=C7
InChI: InChI=1S/C51H63N3O10S/c1-7-25-54(65(58,59)45-19-13-16-34-17-14-24-52-49(34)45)46-32-42(53-64-50(3,4)5)40-30-35(15-9-11-26-55)39(18-10-12-27-56)47-41-31-38(62-37-20-22-43(60-6)36(29-37)33-57)21-23-44(41)63-51(46,48(40)47)61-28-8-2/h8,13-14,16-17,19-24,29-31,33,35,39,46-48,55-56H,2,7,9-12,15,18,25-28,32H2,1,3-6H3/t35-,39+,46-,47+,48+,51+/m0/s1
SMILES: CCC(=O)OC1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)CC)C
InChI: InChI=1S/C24H32O4/c1-4-22(25)27-16-7-9-17-15(14-16)6-8-19-18(17)12-13-24(3)20(19)10-11-21(24)28-23(26)5-2/h7,9,14,18-21H,4-6,8,10-13H2,1-3H3/t18-,19-,20+,21?,24+/m1/s1
SMILES: C1/C=C\CC[C@@H]2C([C@H]2CC/C=C\C1)C(=O)NC3=CC(=CC=C3)Cl
InChI: InChI=1S/C20H24ClNO/c21-15-10-9-11-16(14-15)22-20(23)19-17-12-7-5-3-1-2-4-6-8-13-18(17)19/h3-6,9-11,14,17-19H,1-2,7-8,12-13H2,(H,22,23)/b5-3-,6-4-/t17-,18-/m0/s1
SMILES: C1[C@@H]2[C@@H](CN(C3=C2C(=O)N4C=CC=CC4=N3)CC5=CC=CC=C5)COC1=O
InChI: InChI=1S/C21H19N3O3/c25-18-10-16-15(13-27-18)12-23(11-14-6-2-1-3-7-14)20-19(16)21(26)24-9-5-4-8-17(24)22-20/h1-9,15-16H,10-13H2/t15-,16+/m0/s1
SMILES: CC(=O)OCC[C@@H]1[C@]2(CCCC(C2CC[C@@]1(C)OC(=O)C)(C)C)C
InChI: InChI=1S/C20H34O4/c1-14(21)23-13-9-17-19(5)11-7-10-18(3,4)16(19)8-12-20(17,6)24-15(2)22/h16-17H,7-13H2,1-6H3/t16?,17-,19+,20-/m1/s1
SMILES: CCCCCCCCO[C@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C3=NC(=NC=C3SC2=O)N)COC(=O)C
InChI: InChI=1S/C22H32N4O7S/c1-4-5-6-7-8-9-10-30-17-15(12-31-13(2)27)33-20(18(17)32-14(3)28)26-19-16(34-22(26)29)11-24-21(23)25-19/h11,15,17-18,20H,4-10,12H2,1-3H3,(H2,23,24,25)/t15-,17+,18-,20-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI: InChI=1S/C22H25NO3/c1-16-7-5-6-10-20(16)23-21(24)15-26-22(25)19-13-11-18(12-14-19)17-8-3-2-4-9-17/h2-4,8-9,11-14,16,20H,5-7,10,15H2,1H3,(H,23,24)/t16-,20-/m0/s1
SMILES: CCOC(=O)[C@]1([C@H](N(N=C1/C=C/C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C#N
InChI: InChI=1S/C27H23N3O2/c1-2-32-26(31)27(20-28)24(19-18-21-12-6-3-7-13-21)29-30(23-16-10-5-11-17-23)25(27)22-14-8-4-9-15-22/h3-19,25H,2H2,1H3/b19-18+/t25-,27-/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](C(=O)N(C3=CC=CC=C3S2)CC(=O)N)NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C24H21N3O3S/c25-20(28)15-27-18-13-7-8-14-19(18)31-22(16-9-3-1-4-10-16)21(24(27)30)26-23(29)17-11-5-2-6-12-17/h1-14,21-22H,15H2,(H2,25,28)(H,26,29)/t21-,22-/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NCC4=CC=CC=N4
InChI: InChI=1S/C22H27N3O4/c1-14(2)15-6-8-16(9-7-15)25-22(26)29-19-13-28-20-18(12-27-21(19)20)24-11-17-5-3-4-10-23-17/h3-10,14,18-21,24H,11-13H2,1-2H3,(H,25,26)/t18-,19+,20+,21+/m0/s1
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@]4([C@@]3(CC[C@@H](C4)O)C)O)C)C(C)C
InChI: InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-25,30,32H,7-17H2,1-6H3/t19-,20-,21+,22+,23-,24+,25+,27-,28-,29-/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]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)OC(=O)C5=CC=CC=C5)C
InChI: InChI=1S/C32H46O5/c1-20(10-15-29(34)36-4)25-13-14-26-24-12-11-22-18-23(33)16-17-31(22,2)27(24)19-28(32(25,26)3)37-30(35)21-8-6-5-7-9-21/h5-9,20,22-28,33H,10-19H2,1-4H3/t20-,22-,23-,24+,25-,26+,27+,28+,31+,32-/m1/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)CC=C)C
InChI: InChI=1S/C28H44O4/c1-6-7-19-23-16-18(29)12-14-28(23,4)22-13-15-27(3)20(17(2)8-11-24(30)32-5)9-10-21(27)25(22)26(19)31/h6,17-23,25,29H,1,7-16H2,2-5H3/t17-,18-,19-,20-,21+,22+,23+,25+,27-,28-/m1/s1
SMILES: C1[C@H]([C@@H]1C(=O)N/N=C\C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3
InChI: InChI=1S/C15H13N3O4/c19-15(13-8-12(13)10-4-2-1-3-5-10)17-16-9-11-6-7-14(22-11)18(20)21/h1-7,9,12-13H,8H2,(H,17,19)/b16-9-/t12-,13+/m0/s1
SMILES: [C@@H]1([C@@H]([C@@H](N2C(=NN=N2)[C@H]1O)C(=O)O)O)O
InChI: InChI=1S/C6H8N4O5/c11-2-1(6(14)15)10-5(7-8-9-10)4(13)3(2)12/h1-4,11-13H,(H,14,15)/t1-,2-,3+,4+/m1/s1
SMILES: CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)C[C@H]2[C@@H](CC[C@@]2(C)O)C(=C)C)O
InChI: InChI=1S/C30H44O5/c1-17(2)10-14-30(15-11-18(3)4)27(33)22(26(32)24(28(30)34)25(31)20(7)8)16-23-21(19(5)6)12-13-29(23,9)35/h10-11,20-21,23,32-33,35H,5,12-16H2,1-4,6-9H3/t21-,23-,29+/m0/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C2N=CN=C3Cl)C#CC(=O)O)COCC4=C(C=C(C=C4)Cl)Cl)OCC5=C(C=C(C=C5)Cl)Cl)O
InChI: InChI=1S/C29H22Cl5N3O6/c1-29(40)25(42-12-17-3-6-19(31)9-21(17)33)22(13-41-11-16-2-5-18(30)8-20(16)32)43-28(29)37-10-15(4-7-23(38)39)24-26(34)35-14-36-27(24)37/h2-3,5-6,8-10,14,22,25,28,40H,11-13H2,1H3,(H,38,39)/t22-,25-,28-,29-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@H]2[C@@H]3[C@@H](O3)[C@@H]([C@H]([C@@H]2OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C35H36O5/c1-5-13-26(14-6-1)21-36-25-30-31(37-22-27-15-7-2-8-16-27)33(38-23-28-17-9-3-10-18-28)34(35-32(30)40-35)39-24-29-19-11-4-12-20-29/h1-20,30-35H,21-25H2/t30-,31-,32-,33+,34-,35-/m1/s1
SMILES: C1=CC=C(C=C1)C2=NN(C(=S)O2)[C@@H]3[C@@H]([C@@H]([C@@H](O3)CO)O)O
InChI: InChI=1S/C13H14N2O5S/c16-6-8-9(17)10(18)12(19-8)15-13(21)20-11(14-15)7-4-2-1-3-5-7/h1-5,8-10,12,16-18H,6H2/t8-,9+,10+,12-/m0/s1
SMILES: C[C@H]1[C@@H]2CC[C@](C3[C@@H]4[C@@H]5C=C([C@@]6([C@@H]4C(=C3[C@H]2OC1=O)C)[C@H]5[C@@](CC[C@@H]7[C@@H]6OC(=O)[C@H]7C)(C)O)C)(C)O
InChI: InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3/t13-,14-,16-,17-,18-,20+,21+,22?,23-,24+,25-,28-,29-,30+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](C2C(=C(C1P2C3=CC=CC=C3)C)C)P(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-].[Cl-].[Au+].[Au+]
InChI: InChI=1S/C29H30O2P2.2Au.2ClH/c1-4-31-29(30)25-26-20(2)21(3)27(33(26)24-18-12-7-13-19-24)28(25)32(22-14-8-5-9-15-22)23-16-10-6-11-17-23;;;;/h5-19,25-28H,4H2,1-3H3;;;2*1H/q;2*+1;;/p-2/t25-,26?,27?,28+,33?;;;;/m1..../s1
SMILES: CC1[C@@H](C(C([C@@H](O1)O[C@@H]2CC[C@]3([C@H](C2)CCC4C3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C=O)O)OC)O
InChI: InChI=1S/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3/t16?,18-,19+,20+,21?,22?,24-,25?,26?,27-,28+,29+,30-/m0/s1
SMILES: C[C@]12CC[C@@](C[C@H]1[C@@]3(CC[C@]4(C5=CC(=C(C(=C5C(=O)C=C4[C@]3(CC2)C)C=O)O)O)C)C)(C)C(=O)OC
InChI: InChI=1S/C30H38O6/c1-26-7-8-27(2,25(35)36-6)15-22(26)30(5)12-10-28(3)18-13-20(33)24(34)17(16-31)23(18)19(32)14-21(28)29(30,4)11-9-26/h13-14,16,22,33-34H,7-12,15H2,1-6H3/t22-,26-,27-,28+,29-,30+/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)N
InChI: InChI=1S/C16H27N5O21P4/c17-14-9-15(19-4-18-14)21(5-20-9)16-13(28)12(27)8(38-16)3-37-43(29,30)40-45(33,34)42-46(35,36)41-44(31,32)39-7(2-23)11(26)10(25)6(24)1-22/h2,4-8,10-13,16,22,24-28H,1,3H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H2,17,18,19)/t6-,7+,8-,10-,11-,12-,13-,16-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4
InChI: InChI=1S/C22H30N4OS/c1-15-7-6-10-19(16(15)2)23-20(27)14-28-22-25-24-21(18-11-12-18)26(22)13-17-8-4-3-5-9-17/h3-5,8-9,15-16,18-19H,6-7,10-14H2,1-2H3,(H,23,27)/t15-,16+,19+/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C21H16ClNO/c22-17-13-11-16(12-14-17)20-19(15-7-3-1-4-8-15)21(24)23(20)18-9-5-2-6-10-18/h1-14,19-20H/t19-,20+/m0/s1
SMILES: CCCN1C(=O)C(=O)N(C1=O)CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C
InChI: InChI=1S/C16H24N4O5/c1-3-8-19-13(22)14(23)20(16(19)25)9-12(21)18-15(24)17-11-7-5-4-6-10(11)2/h10-11H,3-9H2,1-2H3,(H2,17,18,21,24)/t10-,11-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)CC2=CNC3=CC=CC=C32
InChI: InChI=1S/C20H25N3O4/c1-13-6-2-4-8-16(13)22-20(26)23-18(24)12-27-19(25)10-14-11-21-17-9-5-3-7-15(14)17/h3,5,7,9,11,13,16,21H,2,4,6,8,10,12H2,1H3,(H2,22,23,24,26)/t13-,16-/m0/s1
SMILES: CC1([C@@H](C2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C
InChI: InChI=1S/C17H20N2O4S/c1-17(2)10(16(22)23)9-13(20)12(14(9)24-17)19-15(21)11(18)8-6-4-3-5-7-8/h3-7,9-12,14H,18H2,1-2H3,(H,19,21)(H,22,23)/t9?,10-,11+,12+,14-/m0/s1
SMILES: CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@@H](CCC2=CC(=CC=C2)C3=CC=CO3)O)O)O
InChI: InChI=1S/C30H40O6/c1-21(2)36-30(34)13-6-4-3-5-11-25-26(28(33)20-27(25)32)17-16-24(31)15-14-22-9-7-10-23(19-22)29-12-8-18-35-29/h3,5,7-10,12,16-19,21,24-28,31-33H,4,6,11,13-15,20H2,1-2H3/b5-3-,17-16+/t24-,25-,26-,27+,28-/m1/s1
SMILES: CCCCN/C(=C\C(=O)O[C@H]1[C@H](C[C@H]2[C@@H]1OC(O2)(C)C)[C@H]3COC(O3)(C)C)/C4=CC=CC=C4
InChI: InChI=1S/C26H37NO6/c1-6-7-13-27-19(17-11-9-8-10-12-17)15-22(28)30-23-18(21-16-29-25(2,3)32-21)14-20-24(23)33-26(4,5)31-20/h8-12,15,18,20-21,23-24,27H,6-7,13-14,16H2,1-5H3/b19-15-/t18-,20+,21-,23+,24+/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@@H]2C1)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N
InChI: InChI=1S/C21H25N3O4/c22-11-9-19(25)23-18-7-5-16(6-8-18)21(27)28-14-20(26)24-12-10-15-3-1-2-4-17(15)13-24/h5-8,15,17H,1-4,9-10,12-14H2,(H,23,25)/t15-,17-/m0/s1
SMILES: CCCCOP(=O)(OCCCC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5CN=[N+]=[N-]
InChI: InChI=1S/C43H52N3O10P/c1-3-5-26-52-57(48,53-27-6-4-2)56-43-41(55-42(47)37-25-17-16-24-36(37)28-45-46-44)40(51-31-35-22-14-9-15-23-35)39(50-30-34-20-12-8-13-21-34)38(54-43)32-49-29-33-18-10-7-11-19-33/h7-25,38-41,43H,3-6,26-32H2,1-2H3/t38-,39-,40+,41-,43+/m1/s1
SMILES: CCC[C@]12CCC[C@@H]3[C@H]1C4=C(C[C@H]3N)C5=C(N4C(=O)C2)C=CC=C5O
InChI: InChI=1S/C21H26N2O2/c1-2-8-21-9-4-5-12-14(22)10-13-18-15(6-3-7-16(18)24)23(17(25)11-21)20(13)19(12)21/h3,6-7,12,14,19,24H,2,4-5,8-11,22H2,1H3/t12-,14+,19-,21+/m0/s1
SMILES: CCCCCCCCCCCCOCCOCCOCCS[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)CO)O)O)O)O)O
InChI: InChI=1S/C30H58O13S/c1-2-3-4-5-6-7-8-9-10-11-12-38-13-14-39-15-16-40-17-18-44-30-27(37)25(35)28(22(20-32)42-30)43-29-26(36)24(34)23(33)21(19-31)41-29/h21-37H,2-20H2,1H3/t21-,22-,23+,24+,25-,26-,27-,28-,29+,30+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]3[C@@H]4[C@@H](C[C@@H]4C(=O)N3C2(C)C)C
InChI: InChI=1S/C17H27NO2/c1-9-5-6-12-13(7-9)20-16-14-10(2)8-11(14)15(19)18(16)17(12,3)4/h9-14,16H,5-8H2,1-4H3/t9-,10-,11+,12-,13-,14-,16+/m1/s1
SMILES: CC[N+](C)(CC)[C@@H]1CC[C@]2(C(C1)CC[C@@H]3C2CC[C@]4(C3CC[C@H]4[N+](C)(CC)CC)C)C
InChI: InChI=1S/C29H56N2/c1-9-30(7,10-2)23-17-19-28(5)22(21-23)13-14-24-25-15-16-27(31(8,11-3)12-4)29(25,6)20-18-26(24)28/h22-27H,9-21H2,1-8H3/q+2/t22?,23-,24+,25?,26?,27-,28+,29+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CCC2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C21H31NO5/c1-14-7-5-6-8-17(14)22-21(24)15(2)27-20(23)12-10-16-9-11-18(25-3)19(13-16)26-4/h9,11,13-15,17H,5-8,10,12H2,1-4H3,(H,22,24)/t14-,15+,17+/m0/s1
SMILES: CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H25ClN2O3/c1-3-13-9-10-17(22)14(4-2)19(13)23-18(25)11-12-24-20(26)15-7-5-6-8-16(15)21(24)27/h5-6,9-10,15-16H,3-4,7-8,11-12H2,1-2H3,(H,23,25)/t15-,16-/m0/s1
SMILES: C1C[NH+]2C[C@@H]([C@@H]1C[C@@H]2CN3C=C(N=N3)CCO)C(=O)N4CCC(CC4)C(=O)N
InChI: InChI=1S/C19H30N6O3/c20-18(27)13-1-5-23(6-2-13)19(28)17-12-24-7-3-14(17)9-16(24)11-25-10-15(4-8-26)21-22-25/h10,13-14,16-17,26H,1-9,11-12H2,(H2,20,27)/p+1/t14-,16+,17-/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@H](O[C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)CO)O)O)O
InChI: InChI=1S/C40H46O11/c41-21-31-33(42)34(43)35(44)39(50-31)49-26-32-36(45-22-27-13-5-1-6-14-27)37(46-23-28-15-7-2-8-16-28)38(47-24-29-17-9-3-10-18-29)40(51-32)48-25-30-19-11-4-12-20-30/h1-20,31-44H,21-26H2/t31-,32+,33+,34-,35+,36-,37-,38+,39+,40+/m0/s1
SMILES: C[N+]1([C@@H]2CC[C@H]1CC(C2)O)CC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC)/C5=NSC(=N5)N)SC3)C(=O)O
InChI: InChI=1S/C21H27N7O6S2/c1-28(10-3-4-11(28)6-12(29)5-10)7-9-8-35-19-14(18(31)27(19)15(9)20(32)33)23-17(30)13(25-34-2)16-24-21(22)36-26-16/h10-12,14,19,29H,3-8H2,1-2H3,(H3-,22,23,24,26,30,32,33)/p+1/b25-13-/t10-,11+,12?,14-,19-,28?/m1/s1
SMILES: C[C@@H]1[C@H](C[C@@H]([C@@]2(CC[C@@H](C2(C)C)[C@H](C1=O)OCOC)O)O[Si](C)(C)C(C)(C)C)[C@@H](/C=C/C=O)O
InChI: InChI=1S/C26H46O7Si/c1-17-18(20(28)11-10-14-27)15-21(33-34(8,9)24(2,3)4)26(30)13-12-19(25(26,5)6)23(22(17)29)32-16-31-7/h10-11,14,17-21,23,28,30H,12-13,15-16H2,1-9H3/b11-10+/t17-,18+,19-,20-,21+,23-,26-/m1/s1
SMILES: C[C@]12CC[C@H]([C@@]1(C)CBr)/C(=C(\C(=O)OC)/O)/C2=O
InChI: InChI=1S/C13H17BrO4/c1-12-5-4-7(13(12,2)6-14)8(10(12)16)9(15)11(17)18-3/h7,15H,4-6H2,1-3H3/b9-8-/t7-,12+,13+/m0/s1
SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)[C@H](C(C)C)NC(=O)[C@H](CC6=CN=CN6)NC(=O)CCC(=O)NC7=CC=C(C=C7)O[C@@H]8[C@H]([C@@H](C([C@@H](O8)C)O)OC)O.Cl
InChI: InChI=1S/C48H53N7O13.ClH/c1-6-48(32-19-35-39-27(17-26-9-7-8-10-33(26)53-39)21-55(35)44(61)31(32)22-65-47(48)63)68-45(62)38(24(2)3)54-43(60)34(18-29-20-49-23-50-29)52-37(57)16-15-36(56)51-28-11-13-30(14-12-28)67-46-41(59)42(64-5)40(58)25(4)66-46;/h7-14,17,19-20,23-25,34,38,40-42,46,58-59H,6,15-16,18,21-22H2,1-5H3,(H,49,50)(H,51,56)(H,52,57)(H,54,60);1H/t25-,34-,38-,40?,41-,42+,46+,48-;/m0./s1
SMILES: CCCC#CC#CCCC(=O)O[C@@H]1[C@H]([C@H](O[C@H]2[C@H]1O[C@@H](OC2)C3=CC=CC=C3)OC)O
InChI: InChI=1S/C24H28O7/c1-3-4-5-6-7-8-12-15-19(25)30-22-20(26)24(27-2)29-18-16-28-23(31-21(18)22)17-13-10-9-11-14-17/h9-11,13-14,18,20-24,26H,3-4,12,15-16H2,1-2H3/t18-,20-,21-,22-,23-,24+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC(=C4)CNC(=O)OCC=C)CSC5=NN=NN5C
InChI: InChI=1S/C32H35N5O5S/c1-4-16-40-32(39)33-18-23-6-5-7-27(17-23)24-12-14-26(15-13-24)30-41-28(20-43-31-34-35-36-37(31)3)21(2)29(42-30)25-10-8-22(19-38)9-11-25/h4-15,17,21,28-30,38H,1,16,18-20H2,2-3H3,(H,33,39)/t21-,28+,29+,30+/m0/s1
SMILES: CN1C(=CC=[N+]1CC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)[O-])NC=O
InChI: InChI=1S/C13H15N5O4S/c1-16-8(15-6-19)2-3-17(16)4-7-5-23-12-9(14)11(20)18(12)10(7)13(21)22/h2-3,6,9,12H,4-5,14H2,1H3,(H,21,22)/t9-,12-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H]1[C@H]([C@H]1P(=O)(OC)OC)C2=CC=CC=C2
InChI: InChI=1S/C16H24NO5P/c1-16(2,3)22-15(18)17-13-12(11-9-7-6-8-10-11)14(13)23(19,20-4)21-5/h6-10,12-14H,1-5H3,(H,17,18)/t12-,13-,14-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4CCCCO4)CCC5=CC(=C(C=C35)O)OC6CCCCO6
InChI: InChI=1S/C28H40O5/c1-28-13-12-19-20(22(28)10-11-25(28)33-27-7-3-5-15-31-27)9-8-18-16-24(23(29)17-21(18)19)32-26-6-2-4-14-30-26/h16-17,19-20,22,25-27,29H,2-15H2,1H3/t19-,20+,22-,25-,26?,27?,28-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)[C@@H](C)C(=O)SC2=CC=CC=C2C(=O)N3CCCCC3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H40N2O4SSi/c1-17(22-21(23(29)27-22)18(2)32-34(6,7)26(3,4)5)25(31)33-20-14-10-9-13-19(20)24(30)28-15-11-8-12-16-28/h9-10,13-14,17-18,21-22H,8,11-12,15-16H2,1-7H3,(H,27,29)/t17-,18-,21-,22-/m1/s1
SMILES: C[C@]12CCCC(=C)[C@H]1C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH2+]CCC4=CC=C(C=C4)OC
InChI: InChI=1S/C24H33NO3/c1-16-5-4-11-24(2)14-22-19(13-21(16)24)20(23(26)28-22)15-25-12-10-17-6-8-18(27-3)9-7-17/h6-9,19-22,25H,1,4-5,10-15H2,2-3H3/p+1/t19-,20-,21-,22-,24-/m1/s1
SMILES: C[C@H]1[C@H](N(C(=O)N1C)[C@@H](CC=C)CC(C)C)C2=CC=CC=C2
InChI: InChI=1S/C19H28N2O/c1-6-10-17(13-14(2)3)21-18(15(4)20(5)19(21)22)16-11-8-7-9-12-16/h6-9,11-12,14-15,17-18H,1,10,13H2,2-5H3/t15-,17-,18-/m0/s1
SMILES: COC1=CC=C(C=C1)SC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)F
InChI: InChI=1S/C17H18FN5O3S/c1-25-9-2-4-10(5-3-9)27-6-11-12(18)14(24)17(26-11)23-8-22-13-15(19)20-7-21-16(13)23/h2-5,7-8,11-12,14,17,24H,6H2,1H3,(H2,19,20,21)/t11-,12-,14-,17-/m1/s1
SMILES: C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.C(=O)O
InChI: InChI=1S/C19H20FNO3.CH2O2/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;2-1-3/h1-6,9,14,17,21H,7-8,10-12H2;1H,(H,2,3)/t14-,17-;/m0./s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@H]1CC[C@H]2C(=O)CO)CC=C4[C@@]3(CC[C@@H](C4)O)C
InChI: InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15+,16+,17+,18-,20-,21-/m0/s1
SMILES: C1C[NH+](CC[NH+]1CCO)[C@@H]2[C@@H](C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=CC=C5
InChI: InChI=1S/C24H27N3O3S/c28-17-16-26-12-14-27(15-13-26)24-21-11-5-7-18-6-4-10-20(22(18)21)23(24)25-31(29,30)19-8-2-1-3-9-19/h1-11,23-25,28H,12-17H2/p+2/t23-,24+/m1/s1