EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CCN3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C20H21N3O5/c1-12-6-2-5-9-15(12)23-19(27)18(26)22(20(23)28)11-10-21-16(24)13-7-3-4-8-14(13)17(21)25/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3/t12-,15-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C[NH2+][C@@H](C)C2=C(C=CC(=C2)C)OC
InChI: InChI=1S/C19H30N2O2/c1-13-9-10-18(23-4)16(11-13)15(3)20-12-19(22)21-17-8-6-5-7-14(17)2/h9-11,14-15,17,20H,5-8,12H2,1-4H3,(H,21,22)/p+1/t14-,15-,17+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](C=C2[C@H]([C@@H]1OC(=O)C)NC(=O)C3=C(C4=C(C=C23)OCO4)OC)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C26H23NO10/c1-12(28)35-22-18(37-26(31)14-7-5-4-6-8-14)10-16-15-9-17-21(34-11-33-17)23(32-3)19(15)25(30)27-20(16)24(22)36-13(2)29/h4-10,18,20,22,24H,11H2,1-3H3,(H,27,30)/t18-,20+,22+,24-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=CC7=CC=CC=C76)C(=O)CC8=CC(=C(C=C8)OC)OC)O)C(=C5)C(=O)C9=CC=C(C=C9)C1=CC=CC=C1)O)C
InChI: InChI=1S/C56H59NO6/c1-52-26-23-43(58)33-54(52)29-30-56(45(34-54)51(60)41-20-18-39(19-21-41)38-11-6-5-7-12-38)48(52)24-27-53(2)49(56)25-28-55(53,61)36-57(35-42-15-10-14-40-13-8-9-16-44(40)42)50(59)32-37-17-22-46(62-3)47(31-37)63-4/h5-22,29-31,34,43,48-49,58,61H,23-28,32-33,35-36H2,1-4H3/t43?,48-,49-,52-,53+,54+,55-,56-/m1/s1
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@H](C1)CC[C@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@H]4OC(=O)C5=CC=CC=C5)C)C
InChI: InChI=1S/C28H38O4/c1-18(29)31-21-13-15-27(2)20(17-21)9-10-22-23-11-12-25(28(23,3)16-14-24(22)27)32-26(30)19-7-5-4-6-8-19/h4-8,20-25H,9-17H2,1-3H3/t20-,21+,22+,23+,24-,25-,27-,28-/m0/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4CC(=O)CC[C@@]4([C@H]3C=C[C@]12C)C
InChI: InChI=1S/C24H34O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h11,13,15-16,19,21H,4-10,12,14H2,1-3H3,(H,26,27)/t15-,16-,19-,21+,23+,24-/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC3=NOC(=C3)C
InChI: InChI=1S/C16H21N3O5/c1-10-5-3-4-6-16(10)14(21)19(15(22)17-16)8-13(20)23-9-12-7-11(2)24-18-12/h7,10H,3-6,8-9H2,1-2H3,(H,17,22)/t10-,16+/m1/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H](C(=O)C(O2)(C(C3=CC=CC=C3)O)N4C=CC(=O)NC4=O)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C28H42N2O8Si2/c1-17(2)39(18(3)4)35-16-22-24(37-40(38-39,19(5)6)20(7)8)26(33)28(36-22,25(32)21-12-10-9-11-13-21)30-15-14-23(31)29-27(30)34/h9-15,17-20,22,24-25,32H,16H2,1-8H3,(H,29,31,34)/t22-,24-,25?,28?/m1/s1
SMILES: COC(=O)[C@]1(C=CCC[C@]12O[C@]3(CCC=C[C@]3(O2)C(=O)OC)O)O
InChI: InChI=1S/C16H20O8/c1-21-11(17)13(19)7-3-6-10-16(13)23-14(12(18)22-2)8-4-5-9-15(14,20)24-16/h3-4,7-8,19-20H,5-6,9-10H2,1-2H3/t13-,14-,15-,16-/m0/s1
SMILES: CCCCN1C(=O)C2=CC=CC=C2N=C1S[C@@H](C)C(=O)N[C@H]3CCCC[C@@H]3C
InChI: InChI=1S/C22H31N3O2S/c1-4-5-14-25-21(27)17-11-7-9-13-19(17)24-22(25)28-16(3)20(26)23-18-12-8-6-10-15(18)2/h7,9,11,13,15-16,18H,4-6,8,10,12,14H2,1-3H3,(H,23,26)/t15-,16-,18-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H51N9O18S/c1-14(43)56-12-21-26(57-15(2)44)27(58-16(3)45)28(59-17(4)46)32(60-21)61-13-20(30(54)39-11-25(51)52)42-31(55)19(8-24(49)50)41-23(48)10-38-29(53)18(40-22(47)9-34)6-5-7-37-33(35)36/h18-21,26-28,32H,5-13,34H2,1-4H3,(H,38,53)(H,39,54)(H,40,47)(H,41,48)(H,42,55)(H,49,50)(H,51,52)(H4,35,36,37)/t18-,19-,20-,21+,26+,27-,28+,32-/m0/s1
SMILES: CC1=C(C=CC(=C1)[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)C8=CC=C(C=C8)Br)O
InChI: InChI=1S/C39H30BrClFN3O5/c1-20-18-21(2-17-32(20)46)34-28-15-16-29-33(37(49)44(35(29)47)27-13-5-23(40)6-14-27)30(28)19-31-36(48)45(43-26-11-9-25(42)10-12-26)38(50)39(31,34)22-3-7-24(41)8-4-22/h2-15,17-18,29-31,33-34,43,46H,16,19H2,1H3/t29-,30+,31-,33-,34-,39+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)/C(=C/C2=C(N=C3C=C(C=CC3=C2)C)Cl)/C#N
InChI: InChI=1S/C21H22ClN3O/c1-13-7-8-15-10-16(20(22)24-19(15)9-13)11-17(12-23)21(26)25-18-6-4-3-5-14(18)2/h7-11,14,18H,3-6H2,1-2H3,(H,25,26)/b17-11+/t14-,18+/m0/s1
SMILES: CC1=CC[C@H]2[C@H]1[C@H]([C@H](C[C@H](C2=C)O)[C@@H](C)C/C=C/C(C)(C)O)O
InChI: InChI=1S/C20H32O3/c1-12(7-6-10-20(4,5)23)16-11-17(21)14(3)15-9-8-13(2)18(15)19(16)22/h6,8,10,12,15-19,21-23H,3,7,9,11H2,1-2,4-5H3/b10-6+/t12-,15+,16+,17+,18-,19-/m0/s1
SMILES: CCOC(=O)C[C@H]([C@]1([C@H]([C@@H]([C@H]([C@@H](O1)N=[N+]=[N-])OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC)O
InChI: InChI=1S/C32H37N3O8/c1-3-39-27(37)19-26(36)32(38-2)30(42-22-25-17-11-6-12-18-25)28(40-20-23-13-7-4-8-14-23)29(31(43-32)34-35-33)41-21-24-15-9-5-10-16-24/h4-18,26,28-31,36H,3,19-22H2,1-2H3/t26-,28-,29-,30+,31-,32+/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CSC3=NC4=CC=CC=C4S3)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=CC=C6C7=CC=CC=C7)C
InChI: InChI=1S/C42H43NO3S2/c1-28-11-10-23-41(2)36(22-24-42(41,46)27-47-40-43-37-16-8-9-17-38(37)48-40)33-21-19-29(25-31(44)20-18-28)26-35(33)39(45)34-15-7-6-14-32(34)30-12-4-3-5-13-30/h3-9,11-17,19,21,26,31,36,44,46H,10,18,20,22-25,27H2,1-2H3/t31-,36-,41-,42+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(CC(C(=O)N4)I)C
InChI: InChI=1S/C23H37IN2O2/c1-21(2,3)26-19(27)16-8-7-14-13-6-9-18-23(5,12-17(24)20(28)25-18)15(13)10-11-22(14,16)4/h13-18H,6-12H2,1-5H3,(H,25,28)(H,26,27)/t13-,14-,15-,16+,17?,18+,22-,23+/m0/s1
SMILES: C[C@]12CCC[C@]([C@@H]1CCC(=C)[C@@H]2C/C=C/OC)(C)C(=O)OC
InChI: InChI=1S/C19H30O3/c1-14-9-10-16-18(2,15(14)8-6-13-21-4)11-7-12-19(16,3)17(20)22-5/h6,13,15-16H,1,7-12H2,2-5H3/b13-6+/t15-,16+,18+,19-/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3[NH2+]2
InChI: InChI=1S/C17H23N3O3/c1-23-12-8-6-11(7-9-12)18-16(21)10-15-17(22)20-14-5-3-2-4-13(14)19-15/h6-9,13-15,19H,2-5,10H2,1H3,(H,18,21)(H,20,22)/p+1/t13-,14-,15-/m0/s1
SMILES: CCCCC(C)(C)[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O
InChI: InChI=1S/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,19-,20-/m1/s1
SMILES: CC1=C(C=CS1)CC[C@@H](/C=C/[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C/CCCC(=O)NS(=O)(=O)C(F)(F)F)O)O)O
InChI: InChI=1S/C23H32F3NO6S2/c1-15-16(12-13-34-15)8-9-17(28)10-11-19-18(20(29)14-21(19)30)6-4-2-3-5-7-22(31)27-35(32,33)23(24,25)26/h2,4,10-13,17-21,28-30H,3,5-9,14H2,1H3,(H,27,31)/b4-2+,11-10+/t17-,18+,19+,20-,21+/m0/s1
SMILES: C=CC1=CC[C@]2(C(=O)N(C(=O)[C@]2([C@H]1C3=C(C=C(C=C3)OCC4=CC=CC=C4)O)Cl)C5=CC=C(C=C5)F)Cl
InChI: InChI=1S/C29H22Cl2FNO4/c1-2-19-14-15-28(30)26(35)33(21-10-8-20(32)9-11-21)27(36)29(28,31)25(19)23-13-12-22(16-24(23)34)37-17-18-6-4-3-5-7-18/h2-14,16,25,34H,1,15,17H2/t25-,28-,29+/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)CN5C(=O)CC(C5=O)NC(=O)OCC6=CC=CC=C6)CSC7=NC8=CC=CC=C8S7
InChI: InChI=1S/C45H41N3O7S2/c1-28-38(27-56-45-47-36-12-5-6-13-39(36)57-45)54-43(55-41(28)33-16-14-29(25-49)15-17-33)34-20-18-32(19-21-34)35-11-7-10-31(22-35)24-48-40(50)23-37(42(48)51)46-44(52)53-26-30-8-3-2-4-9-30/h2-22,28,37-38,41,43,49H,23-27H2,1H3,(H,46,52)/t28-,37?,38+,41+,43+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=C(C=CC5=CC=CC=C54)O)C6=CC=CC=C6)C7=CC=CC=C7)[C@@H]8[C@H]1C(=O)N(C8=O)O
InChI: InChI=1S/C38H29NO6/c40-30-18-15-22-11-7-8-14-24(22)33(30)34-25-16-17-26-32(37(44)39(45)36(26)43)28(25)19-29-35(42)27(21-9-3-1-4-10-21)20-31(41)38(29,34)23-12-5-2-6-13-23/h1-16,18,20,26,28-29,32,34,40,45H,17,19H2/t26-,28+,29-,32-,34+,38-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@H](C(=CO2)C(=O)OC)CC=O)C=C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C25H32O14/c1-7-16-17(8-9-26)18(23(31)32-6)10-34-24(16)39-25-22(37-15(5)30)21(36-14(4)29)20(35-13(3)28)19(38-25)11-33-12(2)27/h7,9-10,16-17,19-22,24-25H,1,8,11H2,2-6H3/t16-,17+,19-,20-,21+,22-,24+,25+/m1/s1
SMILES: CCCCCCCCCCOC[C@]12[C@H]([C@@H]([C@@H](O1)CCCN3CCCCC3)OC(=O)NC4=CC=CC=C4)OC(O2)(C)C
InChI: InChI=1S/C33H54N2O6/c1-4-5-6-7-8-9-10-17-25-37-26-33-30(40-32(2,3)41-33)29(38-31(36)34-27-19-13-11-14-20-27)28(39-33)21-18-24-35-22-15-12-16-23-35/h11,13-14,19-20,28-30H,4-10,12,15-18,21-26H2,1-3H3,(H,34,36)/t28-,29+,30-,33-/m0/s1
SMILES: CCN(CC)CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@@H](C)O)C)C
InChI: InChI=1S/C27H47NO2/c1-6-28(7-2)16-17-30-21-12-14-26(4)20(18-21)8-9-22-24-11-10-23(19(3)29)27(24,5)15-13-25(22)26/h8,19,21-25,29H,6-7,9-18H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)CC[C@@H](C(=O)OCCCCCCCCCCCC)NC(=O)CCC(=O)NCCOCCOCCOCCNC(=O)[C@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O
InChI: InChI=1S/C53H99N3O20/c1-3-5-7-9-11-13-15-17-19-21-29-73-44(62)26-23-39(52(69)74-30-22-20-18-16-14-12-10-8-6-4-2)56-43(61)25-24-42(60)54-27-31-70-33-35-72-36-34-71-32-28-55-51(68)48(66)47(65)50(40(59)37-57)76-53-49(67)46(64)45(63)41(38-58)75-53/h39-41,45-50,53,57-59,63-67H,3-38H2,1-2H3,(H,54,60)(H,55,68)(H,56,61)/t39-,40+,41+,45-,46-,47+,48-,49+,50+,53-/m0/s1
SMILES: C1C[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)[C@@]5(N2C1)C6=CC=CC=C6NC5=O
InChI: InChI=1S/C22H18FN3O3/c23-12-7-9-13(10-8-12)26-19(27)17-16-6-3-11-25(16)22(18(17)20(26)28)14-4-1-2-5-15(14)24-21(22)29/h1-2,4-5,7-10,16-18H,3,6,11H2,(H,24,29)/t16-,17+,18-,22-/m0/s1
SMILES: C[C@@H]1C[C@@H](O[C@H]1CC(=O)OC)[C@H]2[C@H](OC(O2)(C)C)C(=C)C
InChI: InChI=1S/C16H26O5/c1-9(2)14-15(21-16(4,5)20-14)12-7-10(3)11(19-12)8-13(17)18-6/h10-12,14-15H,1,7-8H2,2-6H3/t10-,11+,12-,14-,15+/m1/s1
SMILES: CCC[C@H](C/C(=C/[C@H]([C@@H](C)[C@@H]1C[C@@H](CCC/C=C(/CC[C@@H](C[C@@H](C[C@H](CC[C@H]([C@@H]([C@@H](C(=O)O1)C)O)C)OC(=O)C)OC(=O)C)OC(=O)C)\C)O)O)/C)OC(=O)C
InChI: InChI=1S/C43H72O13/c1-11-14-36(52-31(7)44)21-27(3)22-40(49)29(5)41-23-35(48)16-13-12-15-26(2)17-19-37(53-32(8)45)24-39(55-34(10)47)25-38(54-33(9)46)20-18-28(4)42(50)30(6)43(51)56-41/h15,22,28-30,35-42,48-50H,11-14,16-21,23-25H2,1-10H3/b26-15+,27-22+/t28-,29-,30+,35-,36-,37+,38+,39+,40-,41+,42+/m1/s1
SMILES: C1=CC(=CC=C1[C@H]2[C@@H](OC3=C(O2)C=CC(=C3)C=O)CO)O
InChI: InChI=1S/C16H14O5/c17-8-10-1-6-13-14(7-10)20-15(9-18)16(21-13)11-2-4-12(19)5-3-11/h1-8,15-16,18-19H,9H2/t15-,16-/m0/s1
SMILES: CC(C)[C@]1([C@H]([C@]2([C@]3(C[C@]4([C@]1([C@@]2([C@@]5([C@]36CC[C@@H](C5)O6)O4)O)C)O)C)O)OC(=O)C7=CC=CN7)O
InChI: InChI=1S/C24H31NO8/c1-12(2)22(28)16(31-15(26)14-6-5-9-25-14)23(29)17(3)11-21(27)18(22,4)24(23,30)20(33-21)10-13-7-8-19(17,20)32-13/h5-6,9,12-13,16,25,27-30H,7-8,10-11H2,1-4H3/t13-,16+,17-,18+,19-,20+,21-,22+,23+,24-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@H](C1)OC(=O)COC(=O)C2=C(OC(=C2)C)C)C(C)C
InChI: InChI=1S/C19H28O5/c1-11(2)15-7-6-12(3)8-17(15)24-18(20)10-22-19(21)16-9-13(4)23-14(16)5/h9,11-12,15,17H,6-8,10H2,1-5H3/t12-,15+,17+/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H24N2O5/c1-14(15-7-3-2-4-8-15)22-18(24)13-28-19(25)11-12-23-20(26)16-9-5-6-10-17(16)21(23)27/h2-8,14,16-17H,9-13H2,1H3,(H,22,24)/t14-,16-,17+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NC3=C(N2)C=C(C=N3)Cl
InChI: InChI=1S/C16H21ClN4OS/c1-9-4-3-5-12(10(9)2)19-14(22)8-23-16-20-13-6-11(17)7-18-15(13)21-16/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,19,22)(H,18,20,21)/t9-,10-,12-/m1/s1
SMILES: C1CC[C@@]2(CCN[C@H]([C@@H]2C1)C3=C(C=C(C=C3)Cl)Cl)O
InChI: InChI=1S/C15H19Cl2NO/c16-10-4-5-11(13(17)9-10)14-12-3-1-2-6-15(12,19)7-8-18-14/h4-5,9,12,14,18-19H,1-3,6-8H2/t12-,14-,15-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[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: CC[Si](CC)(CC)O[C@@H]1CC2=CC=C3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2([C@H]([C@@H]1CCCCCO)O[Si](CC)(CC)CC)C)C)[C@H](C)CCCC(C)(C)O[Si](CC)(CC)CC
InChI: InChI=1S/C50H96O4Si3/c1-15-55(16-2,17-3)52-46-38-40-30-31-41-44-33-32-43(39(10)28-27-35-48(11,12)54-57(21-7,22-8)23-9)49(44,13)36-34-45(41)50(40,14)47(42(46)29-25-24-26-37-51)53-56(18-4,19-5)20-6/h30-31,39,42-47,51H,15-29,32-38H2,1-14H3/t39-,42-,43-,44+,45+,46-,47+,49-,50+/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)N3CCCCCCC3
InChI: InChI=1S/C20H31N3O5/c1-15-9-5-6-10-20(15)18(26)23(19(27)21-20)13-17(25)28-14-16(24)22-11-7-3-2-4-8-12-22/h15H,2-14H2,1H3,(H,21,27)/t15-,20+/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCCCOC2=CC=CC=C2)/[C@@H](CC([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CCCC3=CC=CC=C3)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)C)O)(C)O
InChI: InChI=1S/C48H74N2O12/c1-11-38-48(8,56)43(53)32(4)40(49-58-27-19-26-57-36-23-16-13-17-24-36)30(2)29-47(7,55)44(62-46-41(52)37(50(9)10)28-31(3)59-46)33(5)42(34(6)45(54)60-38)61-39(51)25-18-22-35-20-14-12-15-21-35/h12-17,20-21,23-24,30-34,37-38,41-44,46,52-53,55-56H,11,18-19,22,25-29H2,1-10H3/b49-40+/t30-,31-,32+,33+,34-,37+,38-,41-,42+,43-,44-,46+,47?,48-/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@H](N4[C@@H]3C5=CC=CC=C5C=N4)C(=O)NC6=CC=CC=C6
InChI: InChI=1S/C27H22N4O4/c1-35-19-13-11-18(12-14-19)30-26(33)21-22(27(30)34)24(25(32)29-17-8-3-2-4-9-17)31-23(21)20-10-6-5-7-16(20)15-28-31/h2-15,21-24H,1H3,(H,29,32)/t21-,22+,23+,24-/m0/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Br
InChI: InChI=1S/C15H19BrN2O3S/c1-11-10-12(11)15(19)17-6-8-18(9-7-17)22(20,21)14-5-3-2-4-13(14)16/h2-5,11-12H,6-10H2,1H3/t11-,12+/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H]([C@@H]3[C@H](O2)OC(O3)(C)C)NC(=O)OCC4=CC=CC=C4)C
InChI: InChI=1S/C20H27NO7/c1-19(2)24-11-13(26-19)15-14(16-17(25-15)28-20(3,4)27-16)21-18(22)23-10-12-8-6-5-7-9-12/h5-9,13-17H,10-11H2,1-4H3,(H,21,22)/t13-,14-,15-,16-,17-/m1/s1
SMILES: CCOC(=O)C1=C(O[C@H]2[C@@H]1[C@@H](OC2=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)C
InChI: InChI=1S/C20H30O6/c1-6-23-18(21)15-12(5)24-17-16(15)20(26-19(17)22)25-14-9-11(4)7-8-13(14)10(2)3/h10-11,13-14,16-17,20H,6-9H2,1-5H3/t11-,13+,14-,16-,17+,20-/m1/s1
SMILES: CC[C@H](C(=O)N1[C@@H]([C@@H](N(C1=O)C)C)C2=CC=CC=C2)NCC3=CC=CC=C3
InChI: InChI=1S/C22H27N3O2/c1-4-19(23-15-17-11-7-5-8-12-17)21(26)25-20(16(2)24(3)22(25)27)18-13-9-6-10-14-18/h5-14,16,19-20,23H,4,15H2,1-3H3/t16-,19+,20-/m0/s1
SMILES: CCCCC(=O)N(CCC1=CC2=CC=CC=C2N1)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=CC=CC=C4I)C(=O)NCCO
InChI: InChI=1S/C30H36IN3O5/c1-2-3-12-28(36)34(15-13-22-17-20-8-4-6-10-24(20)33-22)25-18-21(30(38)32-14-16-35)19-27(29(25)37)39-26-11-7-5-9-23(26)31/h4-11,17,19,25,27,29,33,35,37H,2-3,12-16,18H2,1H3,(H,32,38)/t25-,27+,29+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)COS(=O)(=O)C)OC(=O)C
InChI: InChI=1S/C13H18N2O8S/c1-7-5-15(13(18)14-12(7)17)11-4-9(22-8(2)16)10(23-11)6-21-24(3,19)20/h5,9-11H,4,6H2,1-3H3,(H,14,17,18)/t9-,10-,11-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F
InChI: InChI=1S/C22H33FN4O2/c1-16-4-3-5-20(17(16)2)25-22(29)15-27-12-10-26(11-13-27)14-21(28)24-19-8-6-18(23)7-9-19/h6-9,16-17,20H,3-5,10-15H2,1-2H3,(H,24,28)(H,25,29)/t16-,17-,20+/m1/s1
SMILES: C[C@@]12CCC(=C)[C@]([C@H]1CCCC23OCCO3)(C)C[C@@H](C4=COC=C4)O
InChI: InChI=1S/C21H30O4/c1-15-6-9-20(3)18(5-4-8-21(20)24-11-12-25-21)19(15,2)13-17(22)16-7-10-23-14-16/h7,10,14,17-18,22H,1,4-6,8-9,11-13H2,2-3H3/t17-,18+,19-,20+/m0/s1
SMILES: CC1(OC(=O)C2([C@@H]([C@@H](N3[C@H]2C4=CC=CC=C4C=N3)C(=O)C5=CC=C(C=C5)F)C6=CC=CO6)C(=O)O1)C
InChI: InChI=1S/C27H21FN2O6/c1-26(2)35-24(32)27(25(33)36-26)20(19-8-5-13-34-19)21(22(31)15-9-11-17(28)12-10-15)30-23(27)18-7-4-3-6-16(18)14-29-30/h3-14,20-21,23H,1-2H3/t20-,21-,23+/m1/s1
SMILES: CCCC(CCC)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
InChI: InChI=1S/C14H27NO6/c1-3-5-8(6-4-2)13(19)15-10-12(18)11(17)9(7-16)21-14(10)20/h8-12,14,16-18,20H,3-7H2,1-2H3,(H,15,19)/t9-,10-,11-,12-,14-/m1/s1
SMILES: CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)[C@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C21H29N3O3/c1-3-4-8-16-9-11-17(12-10-16)22-18(25)14-24-19(26)21(23-20(24)27)13-6-5-7-15(21)2/h9-12,15H,3-8,13-14H2,1-2H3,(H,22,25)(H,23,27)/t15-,21+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H](CCCN2C(=O)N(C1=O)C3=CC=C(C=C3)N(C)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)OC(C)(C)C
InChI: InChI=1S/C33H42N6O5/c1-20-28-26(12-9-17-38(28)32(43)39(30(20)41)23-15-13-22(14-16-23)37(5)6)35-29(40)27(36-31(42)44-33(2,3)4)18-21-19-34-25-11-8-7-10-24(21)25/h7-8,10-11,13-16,19-20,26-28,34H,9,12,17-18H2,1-6H3,(H,35,40)(H,36,42)/t20-,26-,27-,28+/m0/s1
SMILES: C[C@H]1C[C@@]2(N(C1=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]3CO2)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C19H22ClNO2/c1-11-9-19(14-4-6-15(20)7-5-14)21(18(11)22)17-13-3-2-12(8-13)16(17)10-23-19/h4-7,11-13,16-17H,2-3,8-10H2,1H3/t11-,12-,13+,16+,17+,19-/m0/s1
SMILES: CCOC(=O)C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OC(O4)(C)C)NCC(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C30H33N5O6/c1-4-38-29(37)26-33-25(31-15-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19)22-27(34-26)35(17-32-22)28-24-23(21(16-36)39-28)40-30(2,3)41-24/h5-14,17,20-21,23-24,28,36H,4,15-16H2,1-3H3,(H,31,33,34)/t21-,23-,24-,28-/m1/s1
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)[C@H]3[C@@H]4C(=O)O[C@H]([C@H](N4[C@H]([C@@]35C6=C(C=CC(=C6)C#CCCO)N(C5=O)C(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)O)C9=CC=CC=C9)C1=CC=CC=C1)OC
InChI: InChI=1S/C56H48N4O12/c1-69-45-30-39-26-27-57(32-40(39)31-46(45)70-2)52(63)47-49-53(64)72-50(37-14-7-4-8-15-37)48(36-12-5-3-6-13-36)59(49)51(38-19-23-42(62)24-20-38)56(47)43-29-34(11-9-10-28-61)18-25-44(43)58(54(56)65)55(66)71-33-35-16-21-41(22-17-35)60(67)68/h3-8,12-25,29-31,47-51,61-62H,10,26-28,32-33H2,1-2H3/t47-,48-,49-,50+,51+,56-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H](O1)N2C3=CC(=C(C=C3N=C2Br)Cl)Cl)O)O
InChI: InChI=1S/C12H11BrCl2N2O3/c1-4-9(18)10(19)11(20-4)17-8-3-6(15)5(14)2-7(8)16-12(17)13/h2-4,9-11,18-19H,1H3/t4-,9+,10+,11+/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H]([C@@H]3CC=C2C1)C[C@@H]5[C@]4(O5)C(=O)[C@@H]6CO6)C)C
InChI: InChI=1S/C24H32O5/c1-13(25)28-15-6-8-22(2)14(10-15)4-5-16-17(22)7-9-23(3)18(16)11-20-24(23,29-20)21(26)19-12-27-19/h4,15-20H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20+,22-,23+,24-/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)O[C@@H](C)C(=O)N3CCC4=CC=CC=C4C3
InChI: InChI=1S/C23H29N3O5/c1-15-7-5-6-11-23(15)21(29)26(22(30)24-23)14-19(27)31-16(2)20(28)25-12-10-17-8-3-4-9-18(17)13-25/h3-4,8-9,15-16H,5-7,10-14H2,1-2H3,(H,24,30)/t15-,16-,23+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H20O10/c1-6(15)20-5-10-12(21-7(2)16)13(22-8(3)17)11(19)14(24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1
SMILES: C[S@@](=O)C[C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O
InChI: InChI=1S/C7H14O6S/c1-14(12)2-3-4(8)5(9)6(10)7(11)13-3/h3-11H,2H2,1H3/t3-,4+,5+,6-,7?,14-/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOC)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]3(OC6=C5C=C(C=C6)OC7=CC=C(C=C7)C8=CC=CC=C8)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C61H78N2O10/c1-4-6-7-8-9-10-11-12-13-21-37-68-60(66)63(42-44-26-32-55-56(38-44)70-43-69-55)57-41-53(62-67-3)51-39-47(24-17-19-34-64)50(25-18-20-35-65)58-52-40-49(31-33-54(52)73-61(57,59(51)58)71-36-5-2)72-48-29-27-46(28-30-48)45-22-15-14-16-23-45/h5,14-16,22-23,26-33,38-40,47,50,57-59,64-65H,2,4,6-13,17-21,24-25,34-37,41-43H2,1,3H3/t47-,50+,57-,58+,59+,61+/m0/s1
SMILES: CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC(=CC=C4)I)O)NC(=O)N
InChI: InChI=1S/C19H20ClIN8O4/c1-23-16(31)13-10(26-19(22)32)12(30)17(33-13)29-7-25-11-14(27-18(20)28-15(11)29)24-6-8-3-2-4-9(21)5-8/h2-5,7,10,12-13,17,30H,6H2,1H3,(H,23,31)(H3,22,26,32)(H,24,27,28)/t10-,12+,13-,17+/m0/s1
SMILES: CCN1C(=NN=C1SCC(=O)N2CCC[C@H]3[C@H]2CCCC3)C4=CC=NC=C4
InChI: InChI=1S/C20H27N5OS/c1-2-24-19(16-9-11-21-12-10-16)22-23-20(24)27-14-18(26)25-13-5-7-15-6-3-4-8-17(15)25/h9-12,15,17H,2-8,13-14H2,1H3/t15-,17+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)O[Si](C)(C)C(C)(C)C)OCC3=CC=CC=C3
InChI: InChI=1S/C32H50O4Si2/c1-31(2,3)37(7,8)35-28-22-21-27(33-23-25-17-13-11-14-18-25)30(36-38(9,10)32(4,5)6)29(28)34-24-26-19-15-12-16-20-26/h11-22,27-30H,23-24H2,1-10H3/t27-,28-,29+,30+/m1/s1
SMILES: CC(=O)O[C@H]1CCC(C2[C@@]1([C@@H]3C[C@H]([C@]4(C[C@]3(CC2)C=C4)CCl)O)C)(C)C
InChI: InChI=1S/C22H33ClO3/c1-14(24)26-18-6-7-19(2,3)15-5-8-21-9-10-22(12-21,13-23)17(25)11-16(21)20(15,18)4/h9-10,15-18,25H,5-8,11-13H2,1-4H3/t15?,16-,17+,18-,20+,21-,22+/m0/s1
SMILES: CC(C)N1C(=O)[C@@H]2[C@@H](N(O[C@@H]2C1=O)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C20H18ClN3O5/c1-11(2)22-19(25)16-17(12-4-3-5-15(10-12)24(27)28)23(29-18(16)20(22)26)14-8-6-13(21)7-9-14/h3-11,16-18H,1-2H3/t16-,17+,18+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](CO[C@H](O2)C3=CC=C(C=C3)OC)O[C@@H]1O)O
InChI: InChI=1S/C16H21NO7/c1-8(18)17-12-13(19)14-11(23-15(12)20)7-22-16(24-14)9-3-5-10(21-2)6-4-9/h3-6,11-16,19-20H,7H2,1-2H3,(H,17,18)/t11-,12-,13-,14-,15+,16-/m1/s1
SMILES: CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC[C@@H]4[C@H]3CCCC4
InChI: InChI=1S/C23H31N3O2S/c1-2-3-14-26-22(28)18-11-5-6-12-19(18)24-23(26)29-16-21(27)25-15-8-10-17-9-4-7-13-20(17)25/h5-6,11-12,17,20H,2-4,7-10,13-16H2,1H3/t17-,20-/m1/s1
SMILES: CCC(C1=C(C=CC(=C1)Cl)C2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]4CCN(C[C@H]4C5=C(C=C(C=C5)F)F)C(C)(C)C)NC(=O)C
InChI: InChI=1S/C34H44ClF2N3O2/c1-6-32(38-20(2)41)29-17-22(35)7-11-26(29)21-15-24-9-10-25(16-21)40(24)33(42)28-13-14-39(34(3,4)5)19-30(28)27-12-8-23(36)18-31(27)37/h7-8,11-12,17-18,21,24-25,28,30,32H,6,9-10,13-16,19H2,1-5H3,(H,38,41)/t21?,24-,25+,28-,30+,32?/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]
InChI: InChI=1S/C18H24N2O6/c1-11-6-4-5-7-14(11)19-17(21)12(2)26-18(22)13-8-9-16(25-3)15(10-13)20(23)24/h8-12,14H,4-7H2,1-3H3,(H,19,21)/t11-,12+,14-/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@](C2(C)C)(C[C@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)CO)OC(=O)C
InChI: InChI=1S/C31H38O12/c1-15-19(35)12-31(39)26(42-27(38)18-9-7-6-8-10-18)24-29(13-32,20(36)11-21-30(24,14-40-21)43-17(3)34)25(37)23(41-16(2)33)22(15)28(31,4)5/h6-10,19-21,23-24,26,32,35-36,39H,11-14H2,1-5H3/t19-,20+,21-,23-,24+,26+,29-,30+,31+/m1/s1
SMILES: CC1([C@@H]([C@@H]1C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)C=C(Cl)Cl)C
InChI: InChI=1S/C17H19Cl2NO3S/c1-17(2)9(7-11(18)19)13(17)14(21)20-15-12(16(22)23-3)8-5-4-6-10(8)24-15/h7,9,13H,4-6H2,1-3H3,(H,20,21)/t9-,13-/m1/s1
SMILES: C[C@H]1COC(O[C@@H]1[C@H](C)[C@H]2C[C@H](OC(O2)(C)C)CC[C@]3([C@@H](OS(=O)(=O)O3)CC[C@]4([C@@H](OS(=O)(=O)O4)C)C)C)(C)C
InChI: InChI=1S/C26H46O12S2/c1-16-15-31-23(4,5)34-22(16)17(2)20-14-19(32-24(6,7)33-20)10-12-26(9)21(36-40(29,30)38-26)11-13-25(8)18(3)35-39(27,28)37-25/h16-22H,10-15H2,1-9H3/t16-,17+,18-,19+,20+,21-,22-,25-,26-/m0/s1
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)N3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C23H35N3O3S/c1-18-7-8-19(2)22(15-18)30(28,29)26-13-11-24(12-14-26)17-23(27)25-10-9-20-5-3-4-6-21(20)16-25/h7-8,15,20-21H,3-6,9-14,16-17H2,1-2H3/t20-,21+/m0/s1
SMILES: CC[N+]1(CC[C@@H]2CC[C@@H](C[C@H]2C1)OC(=O)C3=CC=C(C=C3)OC)C.[Br-]
InChI: InChI=1S/C20H30NO3.BrH/c1-4-21(2)12-11-15-5-10-19(13-17(15)14-21)24-20(22)16-6-8-18(23-3)9-7-16;/h6-9,15,17,19H,4-5,10-14H2,1-3H3;1H/q+1;/p-1/t15-,17-,19-,21?;/m0./s1
SMILES: C[C@]12CCC(CC1CCC3C2/C(=N/OC)/C[C@]4(C3CC[C@@]4([C@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C)O[Si](C)(C)C
InChI: InChI=1S/C34H69NO5Si4/c1-32-20-18-26(38-42(7,8)9)22-25(32)16-17-27-28-19-21-34(40-44(13,14)15,33(28,2)23-29(31(27)32)35-36-3)30(39-43(10,11)12)24-37-41(4,5)6/h25-28,30-31H,16-24H2,1-15H3/b35-29+/t25?,26?,27?,28?,30-,31?,32-,33-,34-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C(C(C(F)(F)F)(F)F)F)C)C
InChI: InChI=1S/C31H48F6O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(39-27(38)26(32)30(33,34)31(35,36)37)13-15-28(20,4)25(22)14-16-29(23,24)5/h18-26H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26?,28+,29-/m1/s1
SMILES: C[C@@H]1CC2C3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OCC#N)OC(=O)CC5CCCC5)C)O)F)C)F
InChI: InChI=1S/C30H37F2NO6/c1-17-12-20-21-15-23(31)22-14-19(34)8-9-27(22,2)29(21,32)24(35)16-28(20,3)30(17,26(37)38-11-10-33)39-25(36)13-18-6-4-5-7-18/h8-9,14,17-18,20-21,23-24,35H,4-7,11-13,15-16H2,1-3H3/t17-,20?,21?,23+,24+,27+,28+,29+,30+/m1/s1
SMILES: COC1=C(C=C(C=C1)[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)C7=CC(=C(C=C7)C(=O)O)O)O
InChI: InChI=1S/C34H25Cl2FN2O9/c1-48-25-11-2-15(12-24(25)41)27-19-9-10-21-26(29(43)38(28(21)42)18-7-8-20(30(44)45)23(40)13-18)22(19)14-33(35)31(46)39(32(47)34(27,33)36)17-5-3-16(37)4-6-17/h2-9,11-13,21-22,26-27,40-41H,10,14H2,1H3,(H,44,45)/t21-,22+,26-,27-,33+,34-/m0/s1