EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1[C@@H]2C[C@@H]([C@H]1C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(F)(F)F
InChI: InChI=1S/C17H16F3NO3/c18-17(19,20)12-3-5-13(6-4-12)21-15(22)9-24-16(23)14-8-10-1-2-11(14)7-10/h1-6,10-11,14H,7-9H2,(H,21,22)/t10-,11+,14+/m1/s1
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)[C@@H]4[C@H](N(O[C@@H]4C3=O)C5=CC=CC=C5C)C6=CC=CC=C6
InChI: InChI=1S/C29H28N2O5S/c1-3-35-29(34)22-19-14-8-10-16-21(19)37-28(22)30-26(32)23-24(18-12-5-4-6-13-18)31(36-25(23)27(30)33)20-15-9-7-11-17(20)2/h4-7,9,11-13,15,23-25H,3,8,10,14,16H2,1-2H3/t23-,24-,25+/m1/s1
SMILES: CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)[C@@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C28H34N2O/c1-3-4-8-16-30(28(31)27-19-26(27)24-13-6-5-7-14-24)21-25-15-10-17-29(25)20-23-12-9-11-22(2)18-23/h5-7,9-15,17-18,26-27H,3-4,8,16,19-21H2,1-2H3/t26-,27+/m0/s1
SMILES: CCCCC[C@H](C(=O)N[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O
InChI: InChI=1S/C19H29NO5/c1-2-3-6-10-17(22)19(25)20-15-12-13-16(21)14(15)9-7-4-5-8-11-18(23)24/h4,7,12-15,17,22H,2-3,5-6,8-11H2,1H3,(H,20,25)(H,23,24)/b7-4-/t14-,15+,17-/m1/s1
SMILES: CCN(CCN1CCOCC1)C(=O)[C@H]([C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)O)O
InChI: InChI=1S/C18H29N3O6S/c1-4-20(6-5-19-7-9-27-10-8-19)15(24)12(22)11-14(23)21-13(17(25)26)18(2,3)28-16(11)21/h11-13,16,22H,4-10H2,1-3H3,(H,25,26)/t11-,12+,13+,16-/m1/s1
SMILES: COC1=CC=CC=C1N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C24H18Cl2N2O4/c1-31-19-10-6-5-9-18(19)27-23(29)20-21(16-12-11-14(25)13-17(16)26)28(32-22(20)24(27)30)15-7-3-2-4-8-15/h2-13,20-22H,1H3/t20-,21-,22+/m1/s1
SMILES: CC1=CC=C(C=C1)N2CC=C3[C@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CCCC6)C)C
InChI: InChI=1S/C28H39NO/c1-19-7-10-21(11-8-19)29-17-14-24-26(30-29)18-25-22-12-9-20-6-4-5-15-27(20,2)23(22)13-16-28(24,25)3/h7-8,10-11,14,20,22-23,25-26H,4-6,9,12-13,15-18H2,1-3H3/t20-,22-,23+,25+,26-,27+,28-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32
InChI: InChI=1S/C19H22N2O4/c1-12-6-2-4-8-15(12)20-18(23)11-25-19(24)14-10-17(22)21-16-9-5-3-7-13(14)16/h3,5,7,9-10,12,15H,2,4,6,8,11H2,1H3,(H,20,23)(H,21,22)/t12-,15-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)NC(=O)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H43N3O6Si2/c1-22(2,3)33(8,9)30-15-17-16(32-34(10,11)23(4,5)6)14-19(31-17)26-13-12-18(24-20(26)27)25-21(28)29-7/h12-13,16-17,19H,14-15H2,1-11H3,(H,24,25,27,28)/t16-,17+,19+/m0/s1
SMILES: C1COC[C@H]1OC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@]3(C(=O)C(=CN3)C4[C@H]5[C@@H](C6=CC=CC=C46)NC(=O)O5)CC7=CC=CC=C7)O
InChI: InChI=1S/C36H37N3O7/c40-29(28(17-22-9-3-1-4-10-22)38-34(42)45-24-15-16-44-21-24)19-36(18-23-11-5-2-6-12-23)33(41)27(20-37-36)30-25-13-7-8-14-26(25)31-32(30)46-35(43)39-31/h1-14,20,24,28-32,37,40H,15-19,21H2,(H,38,42)(H,39,43)/t24-,28-,29-,30?,31+,32-,36-/m0/s1
SMILES: COC1=C(C(=CC(=C1)C=O)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(C3CCCCC3)C(=O)C4CCCO4)C(=O)NCCO
InChI: InChI=1S/C28H37IN2O8/c1-37-24-13-17(16-33)12-20(29)26(24)39-23-15-18(27(35)30-9-10-32)14-21(25(23)34)31(19-6-3-2-4-7-19)28(36)22-8-5-11-38-22/h12-13,15-16,19,21-23,25,32,34H,2-11,14H2,1H3,(H,30,35)/t21-,22?,23+,25+/m1/s1
SMILES: CC(C)C[C@@H]1C[C@@H]2[C@H](C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=CC=C5
InChI: InChI=1S/C24H24N2O2/c1-14(2)12-15-13-18-21(22-20(15)17-10-6-7-11-19(17)25-22)24(28)26(23(18)27)16-8-4-3-5-9-16/h3-11,14-15,18,21,25H,12-13H2,1-2H3/t15-,18-,21-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H](OC3=CC(=C(C(=C23)C)O)OC)C4=CC=C(C=C4)OC
InChI: InChI=1S/C24H24O4/c1-14-5-7-16(8-6-14)22-21-15(2)23(25)20(27-4)13-19(21)28-24(22)17-9-11-18(26-3)12-10-17/h5-13,22,24-25H,1-4H3/t22-,24+/m0/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)CO
InChI: InChI=1S/C16H16N2O5S/c19-7-10-8-24-15-12(14(21)18(15)13(10)16(22)23)17-11(20)6-9-4-2-1-3-5-9/h1-5,12,15,19H,6-8H2,(H,17,20)(H,22,23)/t12-,15-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)CO
InChI: InChI=1S/C11H17N2O8P/c1-6-3-13(11(16)12-10(6)15)9-2-7(4-14)8(21-9)5-20-22(17,18)19/h3,7-9,14H,2,4-5H2,1H3,(H,12,15,16)(H2,17,18,19)/t7-,8-,9-/m1/s1
SMILES: CCCCCCN=CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N
InChI: InChI=1S/C21H29N5O5/c1-3-4-5-6-7-24-8-11-15(22)18(28)14-12(10-31-20(23)29)21(30-2)19-13(25-19)9-26(21)16(14)17(11)27/h8,12-13,19,25H,3-7,9-10,22H2,1-2H3,(H2,23,29)/t12-,13+,19+,21-/m1/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)C)CN(CC5=CC=CC=C5)CC6=CC=CC=C6
InChI: InChI=1S/C42H44N2O4/c1-30-40(28-44(26-32-11-5-3-6-12-32)27-33-13-7-4-8-14-33)47-42(48-41(30)36-21-19-34(29-45)20-22-36)39-18-10-17-38(24-39)37-16-9-15-35(23-37)25-43-31(2)46/h3-24,30,40-42,45H,25-29H2,1-2H3,(H,43,46)/t30-,40+,41+,42+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C[C@@H]4CCCO4
InChI: InChI=1S/C23H31N3O3S/c1-15-7-5-11-19(16(15)2)24-21(27)14-30-23-25-20-10-4-3-9-18(20)22(28)26(23)13-17-8-6-12-29-17/h3-4,9-10,15-17,19H,5-8,11-14H2,1-2H3,(H,24,27)/t15-,16+,17-,19-/m0/s1
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)N([C@@H]2CCN(C[C@@H]2C)C/C=C/C)C3=CC(=CC=C3)O
InChI: InChI=1S/C27H37N3O2/c1-5-8-17-28-18-16-26(21(4)20-28)30(24-10-9-11-25(31)19-24)23-14-12-22(13-15-23)27(32)29(6-2)7-3/h5,8-15,19,21,26,31H,6-7,16-18,20H2,1-4H3/b8-5+/t21-,26+/m0/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC5=C4N=CC=C5)CN6C=NC7=CC=CC=C76
InChI: InChI=1S/C36H34N4O5S/c1-24-32(21-40-23-38-30-8-2-3-9-31(30)40)44-36(45-35(24)28-15-13-26(22-41)14-16-28)29-17-11-25(12-18-29)20-39-46(42,43)33-10-4-6-27-7-5-19-37-34(27)33/h2-19,23-24,32,35-36,39,41H,20-22H2,1H3/t24-,32+,35+,36?/m0/s1
SMILES: CC1=CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4C)C
InChI: InChI=1S/C24H24N2O3/c1-14-7-12-19-20(13-14)24(29)26(23(19)28)18-10-8-17(9-11-18)22(27)25-21-6-4-5-15(2)16(21)3/h4-11,19-20H,12-13H2,1-3H3,(H,25,27)/t19-,20-/m1/s1
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3C2C[C@@H]1CC4=NC=CC5=C4NC6=C5C=C(C=C6)O)OC)OC
InChI: InChI=1S/C29H33N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-7,9,13-15,17,19,26,31,33H,4,8,10-12,16H2,1-3H3/t17-,19-,26?/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1)C2O[C@@H]([C@H]([C@@H](O2)C3=CC=C(C=C3)CO)C4=CC=CC=C4)CSC5=CC=CC=N5
InChI: InChI=1S/C45H58N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-41(49)47-39-24-20-23-38(32-39)45-50-40(34-52-42-26-18-19-31-46-42)43(36-21-15-14-16-22-36)44(51-45)37-29-27-35(33-48)28-30-37/h14-16,18-24,26-32,40,43-45,48H,2-13,17,25,33-34H2,1H3,(H,47,49)/t40-,43-,44+,45?/m1/s1
SMILES: C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4C[C@@]([C@H]([C@H]5O)O)(C)CO)C)C)C)(C)CO)O
InChI: InChI=1S/C30H50O5/c1-25(16-31)15-19-18-7-8-21-27(3)11-10-22(33)28(4,17-32)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)24(35)23(25)34/h7,19-24,31-35H,8-17H2,1-6H3/t19-,20+,21+,22-,23-,24+,25-,26+,27-,28+,29+,30+/m0/s1
SMILES: CC(=O)OC[C@@]1([C@H](CC[C@]2(C1C[C@@H]([C@@]3(C2[C@H](C4=C(O3)C=C(OC4=O)C5=C[N+](=CC=C5)[O-])O)C)OC(=O)C)C)OC(=O)C)C
InChI: InChI=1S/C31H37NO11/c1-16(33)39-15-30(5)22-13-24(41-18(3)35)31(6)27(29(22,4)10-9-23(30)40-17(2)34)26(36)25-21(43-31)12-20(42-28(25)37)19-8-7-11-32(38)14-19/h7-8,11-12,14,22-24,26-27,36H,9-10,13,15H2,1-6H3/t22?,23-,24-,26-,27?,29-,30-,31+/m0/s1
SMILES: CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)[O-])C2=C(C=CC(=C2)Cl)Cl
InChI: InChI=1S/C16H19Cl2NO4/c1-16(2,3)23-15(22)19-7-11(12(8-19)14(20)21)10-6-9(17)4-5-13(10)18/h4-6,11-12H,7-8H2,1-3H3,(H,20,21)/p-1/t11-,12+/m0/s1
SMILES: C1=NC2=C(N1[C@@H]3[C@@H]([C@@H]([C@@H](O3)CO)O)O)NC(=NC2=S)N
InChI: InChI=1S/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)/t3-,5+,6+,9-/m0/s1
SMILES: C1[C@H]2COC3=C([C@H]2NC(O1)C4=CC=C(C=C4)Cl)C5=CC=CC=C5C=C3
InChI: InChI=1S/C21H18ClNO2/c22-16-8-5-14(6-9-16)21-23-20-15(12-25-21)11-24-18-10-7-13-3-1-2-4-17(13)19(18)20/h1-10,15,20-21,23H,11-12H2/t15-,20+,21?/m1/s1
SMILES: COC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC5=CC=CC(=C5)C(F)(F)F
InChI: InChI=1S/C31H25F3N2O8/c1-40-24-15-16-36(30(39)35-24)27-26(42-22-14-8-13-21(17-22)31(32,33)34)25(44-29(38)20-11-6-3-7-12-20)23(43-27)18-41-28(37)19-9-4-2-5-10-19/h2-17,23,25-27H,18H2,1H3/t23-,25-,26-,27-/m1/s1
SMILES: CCCCCCOC(=O)C1=CC(=CC=C1)N2C(=O)[C@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)Br
InChI: InChI=1S/C31H28BrNO4/c1-2-3-4-9-17-37-30(36)19-11-10-12-20(18-19)33-28(34)26-25-21-13-5-7-15-23(21)31(32,27(26)29(33)35)24-16-8-6-14-22(24)25/h5-8,10-16,18,25-27H,2-4,9,17H2,1H3/t25?,26-,27-,31?/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)[C@H]3CC4=CC=CC=C4CN3C(=O)[C@H](CC5=CC=CS5)NC(=O)CCCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI: InChI=1S/C38H54N10O6S/c39-37(40)43-16-6-5-15-32(49)45-28(21-26-12-8-18-55-26)34(51)47-22-25-11-2-1-9-23(25)19-31(47)35(52)48-29-14-4-3-10-24(29)20-30(48)33(50)46-27(36(53)54)13-7-17-44-38(41)42/h1-2,8-9,11-12,18,24,27-31H,3-7,10,13-17,19-22H2,(H,45,49)(H,46,50)(H,53,54)(H4,39,40,43)(H4,41,42,44)/t24-,27-,28-,29-,30-,31+/m0/s1
SMILES: C=C1[C@@H]([C@H](NC(=S)N1)C2=CC=CC3=CC=CC=C32)C(=O)N4CCOCC4
InChI: InChI=1S/C20H21N3O2S/c1-13-17(19(24)23-9-11-25-12-10-23)18(22-20(26)21-13)16-8-4-6-14-5-2-3-7-15(14)16/h2-8,17-18H,1,9-12H2,(H2,21,22,26)/t17-,18+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C13H17N3O4/c1-9-4-2-3-5-11(9)14-12-7-6-10(15(17)18)8-13(12)16(19)20/h6-9,11,14H,2-5H2,1H3/t9-,11-/m1/s1
SMILES: C1[C@H]([C@@H](C[NH2+]1)C(=O)[O-])C2=CC=CC(=C2)C#N
InChI: InChI=1S/C12H12N2O2/c13-5-8-2-1-3-9(4-8)10-6-14-7-11(10)12(15)16/h1-4,10-11,14H,6-7H2,(H,15,16)/t10-,11+/m0/s1
SMILES: CC1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@H]3N(C2=O)C4=CC=CC=C4Cl
InChI: InChI=1S/C18H17ClN2O3S/c1-12-6-8-13(9-7-12)20-16-10-25(23,24)11-17(16)21(18(20)22)15-5-3-2-4-14(15)19/h2-9,16-17H,10-11H2,1H3/t16-,17+/m0/s1
SMILES: COC(=O)[C@@H]1CS[C@]1(C2=CC=CC=C2)[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H26O2SSi/c1-31-28(30)27-22-32-29(27,23-14-6-2-7-15-23)33(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21,27H,22H2,1H3/t27-,29+/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)C1=CC2=C(C=C1)OCO2)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C20H19NO7/c1-11(21-18(23)13-4-2-3-5-14(13)19(21)24)20(25)26-9-15(22)12-6-7-16-17(8-12)28-10-27-16/h2-3,6-8,11,13-14H,4-5,9-10H2,1H3/t11-,13-,14-/m0/s1
SMILES: CC(=O)O[C@@H]1CSC([C@@H]([C@H]1OC(=O)C)OC(=O)C)SC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C(F)(F)F
InChI: InChI=1S/C25H23F3O7S2/c1-13(29)33-20-12-36-24(23(35-15(3)31)22(20)34-14(2)30)37-19-10-6-17(7-11-19)21(32)16-4-8-18(9-5-16)25(26,27)28/h4-11,20,22-24H,12H2,1-3H3/t20-,22+,23-,24?/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C)[C@H]2[C@@H](O2)[C@H](C)O
InChI: InChI=1S/C13H19NO4S/c1-8-4-6-11(7-5-8)19(16,17)14-9(2)12-13(18-12)10(3)15/h4-7,9-10,12-15H,1-3H3/t9-,10+,12+,13+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2=CC=CC=C2CF)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H25FO10/c1-11(23)27-10-17-18(28-12(2)24)19(29-13(3)25)20(30-14(4)26)21(32-17)31-16-8-6-5-7-15(16)9-22/h5-8,17-21H,9-10H2,1-4H3/t17-,18-,19+,20-,21+/m1/s1
SMILES: CCOP(=O)(OCC)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC(=O)C2=CC=CC=C2)OP(=O)(OCC)OCC)OP(=O)(OCC)OCC)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C39H51O18P3/c1-7-46-58(43,47-8-2)55-34-31(52-37(40)28-22-16-13-17-23-28)32(53-38(41)29-24-18-14-19-25-29)35(56-59(44,48-9-3)49-10-4)36(57-60(45,50-11-5)51-12-6)33(34)54-39(42)30-26-20-15-21-27-30/h13-27,31-36H,7-12H2,1-6H3/t31-,32-,33-,34-,35+,36+/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H](C3=C(C=CC4=CC=CC=C43)O)O)OC)C
InChI: InChI=1S/C19H22O6/c1-19(2)24-17-16(22-3)15(23-18(17)25-19)14(21)13-11-7-5-4-6-10(11)8-9-12(13)20/h4-9,14-18,20-21H,1-3H3/t14-,15+,16-,17+,18+/m0/s1
SMILES: C[C@H](C=C)[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/C25H38O2/c1-6-16(2)21-9-10-22-20-8-7-18-15-19(27-17(3)26)11-13-24(18,4)23(20)12-14-25(21,22)5/h6-7,16,19-23H,1,8-15H2,2-5H3/t16-,19+,20+,21-,22+,23+,24+,25-/m1/s1
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O
InChI: InChI=1S/C33H40O20/c34-7-16-23(41)27(45)31(53-33-29(47)26(44)22(40)18(9-36)52-33)30(49-16)20-15(50-32-28(46)25(43)21(39)17(8-35)51-32)6-14-19(24(20)42)12(38)5-13(48-14)10-1-3-11(37)4-2-10/h1-6,16-18,21-23,25-37,39-47H,7-9H2/t16-,17-,18-,21-,22-,23-,25+,26+,27+,28-,29-,30+,31-,32-,33+/m1/s1
SMILES: C[C@H](CCCC(=O)C(C)(C)C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C41H72O3Si2/c1-29(19-17-21-37(42)38(3,4)5)34-24-25-35-31(20-18-26-41(34,35)12)22-23-32-27-33(43-45(13,14)39(6,7)8)28-36(30(32)2)44-46(15,16)40(9,10)11/h22-24,29,33,35-36H,2,17-21,25-28H2,1,3-16H3/b31-22+,32-23-/t29-,33+,35+,36-,41-/m1/s1
SMILES: CCOC(=O)C[C@]1(C[C@H]2[C@H](C1(C)C)CC=C([C@@H]2OC)C)C=C
InChI: InChI=1S/C19H30O3/c1-7-19(12-16(20)22-8-2)11-14-15(18(19,4)5)10-9-13(3)17(14)21-6/h7,9,14-15,17H,1,8,10-12H2,2-6H3/t14-,15+,17-,19+/m0/s1
SMILES: C[C@@H]1C=C([C@H]2[C@@H]([C@@H]1CO[C@@H]2C3=CCC[N+](C3)(C)C)C)C
InChI: InChI=1S/C18H30NO/c1-12-9-13(2)17-14(3)16(12)11-20-18(17)15-7-6-8-19(4,5)10-15/h7,9,12,14,16-18H,6,8,10-11H2,1-5H3/q+1/t12-,14-,16-,17+,18-/m1/s1
SMILES: COC1=CC=C(C=C1)C(=C2C=CC(=O)C=C2)[C@@H]3[C@H](C4=C(C5=CC=CC=C5C=C4)C6=C3C=CC7=CC=CC=C76)C(=C8C=CC(=O)C=C8)C9=CC=C(C=C9)OC
InChI: InChI=1S/C50H36O4/c1-53-39-25-15-35(16-26-39)45(33-11-21-37(51)22-12-33)49-43-29-19-31-7-3-5-9-41(31)47(43)48-42-10-6-4-8-32(42)20-30-44(48)50(49)46(34-13-23-38(52)24-14-34)36-17-27-40(54-2)28-18-36/h3-30,49-50H,1-2H3/t49-,50-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC[C@@]34C5=CC=CC=C5N([C@@]36CC[C@@H](C[C@H]6[C@@H](O4)OC)OCC7=CC=CC=C7)C(=O)OC
InChI: InChI=1S/C42H49NO6Si/c1-40(2,3)50(33-19-11-7-12-20-33,34-21-13-8-14-22-34)48-28-27-42-35-23-15-16-24-37(35)43(39(44)46-5)41(42)26-25-32(29-36(41)38(45-4)49-42)47-30-31-17-9-6-10-18-31/h6-24,32,36,38H,25-30H2,1-5H3/t32-,36-,38+,41+,42+/m0/s1
SMILES: CCC(=O)[C@H](C)[C@@H]1[C@H]([C@H]([Si](O1)(C(C)(C)C)C(C)(C)C)C)C
InChI: InChI=1S/C18H36O2Si/c1-11-15(19)13(3)16-12(2)14(4)21(20-16,17(5,6)7)18(8,9)10/h12-14,16H,11H2,1-10H3/t12-,13-,14+,16-/m0/s1
SMILES: C1=CN(C(=S)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C9H13N3O4S/c10-5-1-2-12(9(17)11-5)8-7(15)6(14)4(3-13)16-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,17)/t4-,6-,7-,8-/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=C(C=CC(=C5)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)I)Cl
InChI: InChI=1S/C28H23Cl2IN2O6/c1-32-25(37)27(29)12-19-16(22(28(27,30)26(32)38)18-11-15(39-2)7-10-20(18)34)8-9-17-21(19)24(36)33(23(17)35)14-5-3-13(31)4-6-14/h3-8,10-11,17,19,21-22,34H,9,12H2,1-2H3/t17-,19+,21-,22+,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)CNC(=O)CCCCCNC(=O)C)CN(C)C[C@H](C4=CC(=CC=C4)O)O
InChI: InChI=1S/C37H49N3O7/c1-25-34(23-40(3)22-33(44)31-8-7-9-32(43)20-31)46-37(47-36(25)29-15-13-28(24-41)14-16-29)30-17-11-27(12-18-30)21-39-35(45)10-5-4-6-19-38-26(2)42/h7-9,11-18,20,25,33-34,36-37,41,43-44H,4-6,10,19,21-24H2,1-3H3,(H,38,42)(H,39,45)/t25-,33-,34+,36+,37+/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C(=O)OC
InChI: InChI=1S/C36H31ClFN3O9/c1-48-26-14-17(15-27(49-2)30(26)42)29-22-12-13-23-28(33(45)40(31(23)43)35(47)50-3)24(22)16-25-32(44)41(39-21-10-8-20(38)9-11-21)34(46)36(25,29)18-4-6-19(37)7-5-18/h4-12,14-15,23-25,28-29,39,42H,13,16H2,1-3H3/t23-,24+,25-,28-,29-,36+/m0/s1
SMILES: CC(C)[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCCOC)[C@@]3(N1)C4=C(C(=CC=C4)Cl)NC3=O
InChI: InChI=1S/C20H24ClN3O4/c1-10(2)15-13-14(18(26)24(17(13)25)8-5-9-28-3)20(23-15)11-6-4-7-12(21)16(11)22-19(20)27/h4,6-7,10,13-15,23H,5,8-9H2,1-3H3,(H,22,27)/t13-,14-,15-,20-/m0/s1
SMILES: CCC/C(=N/NC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2)/C3=CC=CC=C3
InChI: InChI=1S/C20H22N2O/c1-2-9-19(16-12-7-4-8-13-16)21-22-20(23)18-14-17(18)15-10-5-3-6-11-15/h3-8,10-13,17-18H,2,9,14H2,1H3,(H,22,23)/b21-19-/t17-,18-/m1/s1
SMILES: C[C@H]1[C@H]2[C@H](C[C@H]3CCCC[C@@H]3[C@H]2CSC4=CC=CC=C4)C(=O)O1
InChI: InChI=1S/C20H26O2S/c1-13-19-17(20(21)22-13)11-14-7-5-6-10-16(14)18(19)12-23-15-8-3-2-4-9-15/h2-4,8-9,13-14,16-19H,5-7,10-12H2,1H3/t13-,14+,16-,17-,18+,19-/m0/s1
SMILES: CC1(CC2=C(C(=O)C1)[C@@]3(C(=O)C4=CC=CC=C4[C@]3(O2)O)O)C
InChI: InChI=1S/C17H16O5/c1-15(2)7-11(18)13-12(8-15)22-17(21)10-6-4-3-5-9(10)14(19)16(13,17)20/h3-6,20-21H,7-8H2,1-2H3/t16-,17+/m0/s1
SMILES: CC[C@@H](/C=C/[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[P@@](=O)(OCCC#N)OC[C@@H]5[C@H](C[C@@H](O5)N6C=C(C(=O)NC6=O)C)N=[N+]=[N-])C)C)C(C)C
InChI: InChI=1S/C42H63N6O7P/c1-8-29(26(2)3)11-10-27(4)33-14-15-34-32-13-12-30-22-31(16-18-41(30,6)35(32)17-19-42(33,34)7)55-56(51,52-21-9-20-43)53-25-37-36(46-47-44)23-38(54-37)48-24-28(5)39(49)45-40(48)50/h10-12,24,26-27,29,31-38H,8-9,13-19,21-23,25H2,1-7H3,(H,45,49,50)/b11-10+/t27-,29+,31+,32+,33-,34+,35+,36+,37-,38-,41+,42-,56+/m1/s1
SMILES: C[C@@H]1[C@H]2C[C@@H](CC1(C)C)N(C2)C(=O)NC3=CC4=NC=CN=C4C=C3
InChI: InChI=1S/C19H24N4O/c1-12-13-8-15(10-19(12,2)3)23(11-13)18(24)22-14-4-5-16-17(9-14)21-7-6-20-16/h4-7,9,12-13,15H,8,10-11H2,1-3H3,(H,22,24)/t12-,13+,15+/m1/s1
SMILES: C[C@]12CC3C4(O3)[C@H]([C@@H]1CC5[C@]2(OC(O5)(C)C)C(=O)CO)C[C@@H](C6=CC(=O)C=C[C@]46C)F
InChI: InChI=1S/C24H29FO6/c1-20(2)29-18-9-13-14-8-16(25)15-7-12(27)5-6-21(15,3)23(14)19(30-23)10-22(13,4)24(18,31-20)17(28)11-26/h5-7,13-14,16,18-19,26H,8-11H2,1-4H3/t13-,14-,16-,18?,19?,21-,22-,23?,24+/m0/s1
SMILES: COC(=O)C1=CC2=C(C=C1)N([C@H]([C@H]3[C@@H]2N(CC3)CC4=CC=CC=C4)CCCO)C(=O)C(F)(F)F
InChI: InChI=1S/C25H27F3N2O4/c1-34-23(32)17-9-10-21-19(14-17)22-18(11-12-29(22)15-16-6-3-2-4-7-16)20(8-5-13-31)30(21)24(33)25(26,27)28/h2-4,6-7,9-10,14,18,20,22,31H,5,8,11-13,15H2,1H3/t18-,20-,22-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN3CCC4=C(C3)NC5=CC=CC=C45)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=C(C=C7)C8=CC=CC=C8)C
InChI: InChI=1S/C46H50N2O3/c1-31-9-8-24-45(2)41(22-25-46(45,51)30-48-26-23-39-38-12-6-7-13-42(38)47-43(39)29-48)37-21-15-32(27-36(49)20-14-31)28-40(37)44(50)35-18-16-34(17-19-35)33-10-4-3-5-11-33/h3-7,9-13,15-19,21,28,36,41,47,49,51H,8,14,20,22-27,29-30H2,1-2H3/t36-,41-,45-,46+/m0/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@@H]4[C@@H]([C@@H](O3)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=C(C=C(C=C6)Cl)Cl
InChI: InChI=1S/C26H14Cl3NO5/c27-13-7-5-12(6-8-13)21-19-20(25(34)30(24(19)33)18-10-9-14(28)11-17(18)29)26(35-21)22(31)15-3-1-2-4-16(15)23(26)32/h1-11,19-21H/t19-,20+,21-/m0/s1
SMILES: C1C[N+]2(CCC1C(=O)[C@@]23[C@@H](O3)C4=CC=CC=C4F)[O-]
InChI: InChI=1S/C14H14FNO3/c15-11-4-2-1-3-10(11)13-14(19-13)12(17)9-5-7-16(14,18)8-6-9/h1-4,9,13H,5-8H2/t9?,13-,14+,16?/m0/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC=C(C=C8)O)C(=O)N(C7=O)C9=CC(=C(C=C9)C(=O)O)O)C
InChI: InChI=1S/C41H33ClN4O8S/c1-18-26-14-20(42)6-13-31(26)55-35(18)29-17-32(44(3)43-29)46-37(50)28-16-27-23(34(41(28,2)40(46)54)19-4-8-22(47)9-5-19)11-12-25-33(27)38(51)45(36(25)49)21-7-10-24(39(52)53)30(48)15-21/h4-11,13-15,17,25,27-28,33-34,47-48H,12,16H2,1-3H3,(H,52,53)/t25-,27+,28-,33-,34-,41+/m0/s1
SMILES: CC1=C(C=CC=C1Cl)NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C21H23ClN2O5/c1-10-14(22)4-3-5-15(10)23-16(25)9-29-21(28)11(2)24-19(26)17-12-6-7-13(8-12)18(17)20(24)27/h3-5,11-13,17-18H,6-9H2,1-2H3,(H,23,25)/t11-,12-,13+,17-,18+/m0/s1
SMILES: CC(=O)C1=CN2[C@@H](C=C1)[C@@]([C@@H]([C@@H]2C(=O)N)C3=C(C(=CC=C3)Cl)Cl)(C#N)C(=O)OC
InChI: InChI=1S/C20H17Cl2N3O4/c1-10(26)11-6-7-14-20(9-23,19(28)29-2)15(17(18(24)27)25(14)8-11)12-4-3-5-13(21)16(12)22/h3-8,14-15,17H,1-2H3,(H2,24,27)/t14-,15+,17+,20+/m0/s1
SMILES: CC1([C@@H]([C@@H](N[C@@H]([C@H]1[N+](=O)[O-])C2=C(C=CC(=C2)Br)O)C3=C(C=CC(=C3)Br)O)[N+](=O)[O-])C
InChI: InChI=1S/C19H19Br2N3O6/c1-19(2)17(23(27)28)15(11-7-9(20)3-5-13(11)25)22-16(18(19)24(29)30)12-8-10(21)4-6-14(12)26/h3-8,15-18,22,25-26H,1-2H3/t15-,16+,17-,18-/m1/s1
SMILES: C[C@]12CCC[C@H]3[C@]1(CCC(=O)C3(C)C)OC4=CC=CC(=C4C2)O
InChI: InChI=1S/C20H26O3/c1-18(2)16-8-5-10-19(3)12-13-14(21)6-4-7-15(13)23-20(16,19)11-9-17(18)22/h4,6-7,16,21H,5,8-12H2,1-3H3/t16-,19-,20+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)OC(=O)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C24H21NO5S/c1-16-11-13-19(14-12-16)31(28,29)25-22-20-10-6-5-9-18(20)15-21(22)30-24(27)23(26)17-7-3-2-4-8-17/h2-14,21-22,25H,15H2,1H3/t21-,22+/m1/s1
SMILES: C[C@@]12CC[C@@H]([C@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)[C@@]5(CC[C@@H](O5)C(C)(C)O)C
InChI: InChI=1S/C30H50O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-22,24,32H,9-18H2,1-8H3/t19-,20+,21+,22-,24-,27+,28-,29-,30+/m1/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)N2CCC(CC2)N3CCCCC3)C4=CC=C(C=C4)C(=O)OC)CCCO
InChI: InChI=1S/C29H42N2O6/c1-3-36-29-24(8-7-19-32)25(21-9-11-22(12-10-21)28(34)35-2)20-26(37-29)27(33)31-17-13-23(14-18-31)30-15-5-4-6-16-30/h9-12,20,23-25,29,32H,3-8,13-19H2,1-2H3/t24-,25+,29+/m0/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@H]2C3=CC=CC=C3O)(C)C(=O)[O-]
InChI: InChI=1S/C18H22N2O5/c1-3-4-9-20-15(22)12-13(16(20)23)18(2,17(24)25)19-14(12)10-7-5-6-8-11(10)21/h5-8,12-14,19,21H,3-4,9H2,1-2H3,(H,24,25)/t12-,13+,14+,18-/m1/s1
SMILES: C[C@@H]1C[C@H]([C@@H](CO1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H20O5/c1-14-12-17(24-19(21)15-8-4-2-5-9-15)18(13-23-14)25-20(22)16-10-6-3-7-11-16/h2-11,14,17-18H,12-13H2,1H3/t14-,17-,18-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)S[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)S)CO)CO)O)O)O)O
InChI: InChI=1S/C18H32O13S3/c19-1-4-7(22)8(23)12(27)17(30-4)34-15-6(3-21)31-18(13(28)10(15)25)33-14-5(2-20)29-16(32)11(26)9(14)24/h4-28,32H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=CC=C6C(=O)C7=CC=C(C=C7)N
InChI: InChI=1S/C35H32N2O8/c1-40-28-12-19(13-29(41-2)34(28)42-3)30-22-14-26-27(45-17-44-26)15-23(22)32(24-16-43-35(39)31(24)30)37-25-7-5-4-6-21(25)33(38)18-8-10-20(36)11-9-18/h4-15,24,30-32,37H,16-17,36H2,1-3H3/t24-,30+,31-,32+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=C(C=C(C=C2)OC)OC
InChI: InChI=1S/C19H27NO5/c1-12-6-5-7-16(13(12)2)20-18(21)11-25-19(22)15-9-8-14(23-3)10-17(15)24-4/h8-10,12-13,16H,5-7,11H2,1-4H3,(H,20,21)/t12-,13-,16-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2C(=O)COC(=O)CN3C=CC(=O)NC3=O
InChI: InChI=1S/C17H23N3O5/c21-14-7-9-19(17(24)18-14)10-16(23)25-11-15(22)20-8-3-5-12-4-1-2-6-13(12)20/h7,9,12-13H,1-6,8,10-11H2,(H,18,21,24)/t12-,13-/m0/s1
SMILES: C[C@@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@@H](C[C@@]4([C@@H]3CC[C@H]4C(=O)CO)C)O
InChI: InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15+,16-,17+,19+,20+,21+/m0/s1
SMILES: CC(C)COC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@]1(C2(C)C)C
InChI: InChI=1S/C20H38NO3/c1-15(2)14-24-18(22)13-21(6,7)10-11-23-17-12-16-8-9-20(17,5)19(16,3)4/h15-17H,8-14H2,1-7H3/q+1/t16-,17-,20+/m0/s1
SMILES: C[C@H]1CC(=O)[C@@H]2[C@H](N3C(=NC=N3)NC2=C1)C4=CC=C(C=C4)C
InChI: InChI=1S/C17H18N4O/c1-10-3-5-12(6-4-10)16-15-13(7-11(2)8-14(15)22)20-17-18-9-19-21(16)17/h3-7,9,11,15-16H,8H2,1-2H3,(H,18,19,20)/t11-,15-,16-/m1/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)C2[C@H]3[C@@H]2CCC=CCCC=CCC3)C
InChI: InChI=1S/C22H29NO/c1-16-12-11-15-20(17(16)2)23-22(24)21-18-13-9-7-5-3-4-6-8-10-14-19(18)21/h5-8,11-12,15,18-19,21H,3-4,9-10,13-14H2,1-2H3,(H,23,24)/t18-,19+,21?
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C15H20N2O3S/c1-11-4-2-3-5-14(11)16-15(18)10-21-13-8-6-12(7-9-13)17(19)20/h6-9,11,14H,2-5,10H2,1H3,(H,16,18)/t11-,14+/m1/s1
SMILES: C[C@@]12CCN(O[C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)C
InChI: InChI=1S/C20H23N3O3/c1-20-11-12-22(2)26-18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20-/m0/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)NCCCCC(=O)O)C)C)(C)C)O
InChI: InChI=1S/C35H57NO4/c1-30(2)17-19-35(29(40)36-21-9-8-10-28(38)39)20-18-33(6)23(24(35)22-30)11-12-26-32(5)15-14-27(37)31(3,4)25(32)13-16-34(26,33)7/h11,24-27,37H,8-10,12-22H2,1-7H3,(H,36,40)(H,38,39)/t24-,25-,26+,27-,32-,33+,34+,35-/m0/s1