EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN(C)[C@@H](CCCCNS(=O)(=O)C1=CC=CC=C1)C(=O)N[C@@H]2CCC3=CC=CC=C3[C@@H]2CC4=CN=CC=C4
InChI: InChI=1S/C30H38N4O3S/c1-34(2)29(16-8-9-20-32-38(36,37)25-13-4-3-5-14-25)30(35)33-28-18-17-24-12-6-7-15-26(24)27(28)21-23-11-10-19-31-22-23/h3-7,10-15,19,22,27-29,32H,8-9,16-18,20-21H2,1-2H3,(H,33,35)/t27-,28+,29-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OCC[C@@H](C(C)(C)[C@@H]1[C@H](O1)CO)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H46O4Si2/c1-19(2,3)26(9,10)23-14-13-17(25-27(11,12)20(4,5)6)21(7,8)18-16(15-22)24-18/h16-18,22H,13-15H2,1-12H3/t16-,17+,18+/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]3[C@@H](C[C@@H](C(=O)O3)CC4=CC=CC=C4)O[C@@H]2O1)C
InChI: InChI=1S/C17H20O5/c1-17(2)21-14-13-12(19-16(14)22-17)9-11(15(18)20-13)8-10-6-4-3-5-7-10/h3-7,11-14,16H,8-9H2,1-2H3/t11-,12+,13-,14+,16+/m0/s1
SMILES: CC(C)C[C@H](C(=O)N)NC(=O)C1=C[C@H]([C@H]([C@@H](C1)O)O)NC(=O)CS(=O)(=O)C2=CC=CC=C2
InChI: InChI=1S/C21H29N3O7S/c1-12(2)8-16(20(22)28)24-21(29)13-9-15(19(27)17(25)10-13)23-18(26)11-32(30,31)14-6-4-3-5-7-14/h3-7,9,12,15-17,19,25,27H,8,10-11H2,1-2H3,(H2,22,28)(H,23,26)(H,24,29)/t15-,16-,17-,19-/m1/s1
SMILES: CC=C(C)C(=O)O[C@H]1[C@H]2[C@@H](CC(=C1[C@@H](C)CCCO)CO)OC(=O)C2=C
InChI: InChI=1S/C20H28O6/c1-5-11(2)19(23)26-18-16(12(3)7-6-8-21)14(10-22)9-15-17(18)13(4)20(24)25-15/h5,12,15,17-18,21-22H,4,6-10H2,1-3H3/t12-,15+,17+,18+/m0/s1
SMILES: COC(=O)C1=CC=C(C=C1)[C@H]2[C@H]3CC=C[C@@H]3C4=C(N2)C=CC(=C4)C(=O)[O-]
InChI: InChI=1S/C21H19NO4/c1-26-21(25)13-7-5-12(6-8-13)19-16-4-2-3-15(16)17-11-14(20(23)24)9-10-18(17)22-19/h2-3,5-11,15-16,19,22H,4H2,1H3,(H,23,24)/p-1/t15-,16-,19-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@@H](OC2=O)[C@H](C)C=C)CC(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C22H22ClNO5S/c1-4-15(3)21-19(13-20(25)16-7-9-17(23)10-8-16)24(22(26)29-21)30(27,28)18-11-5-14(2)6-12-18/h4-12,15,19,21H,1,13H2,2-3H3/t15-,19+,21+/m1/s1
SMILES: C[C@@H](C(=O)OC)NP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C(C(C(=O)NC2=O)(C)Br)OC)N=[N+]=[N-])OC3=CC=C(C=C3)F
InChI: InChI=1S/C21H27BrFN6O9P/c1-11(17(30)34-3)27-39(33,38-13-7-5-12(23)6-8-13)36-10-15-14(26-28-24)9-16(37-15)29-19(35-4)21(2,22)18(31)25-20(29)32/h5-8,11,14-16,19H,9-10H2,1-4H3,(H,27,33)(H,25,31,32)/t11-,14-,15+,16+,19?,21?,39?/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)S[C@@H]3CCN4C3=C[N+](=C4)CC(=O)NC)C(=O)O)O
InChI: InChI=1S/C17H20N4O5S2/c1-8(22)12-14(24)21-13(16(25)26)17(28-15(12)21)27-10-3-4-20-7-19(5-9(10)20)6-11(23)18-2/h5,7-8,10,12,15,22H,3-4,6H2,1-2H3,(H-,18,23,25,26)/p+1/t8-,10-,12+,15-/m1/s1
SMILES: CCC(CC)([C@@H]1CCCN1C2=CC(=O)O[C@@H]([C@@H]2OCC[Si](C)(C)C)C(C)(C)C)OC
InChI: InChI=1S/C24H45NO4Si/c1-10-24(11-2,27-6)19-13-12-14-25(19)18-17-20(26)29-22(23(3,4)5)21(18)28-15-16-30(7,8)9/h17,19,21-22H,10-16H2,1-9H3/t19-,21+,22-/m0/s1
SMILES: CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(C7=CC=CC=C67)O)Cl)CBr)Cl)[N+](=O)[O-]
InChI: InChI=1S/C33H26BrCl2N5O9/c1-37(2)27-22(40(47)48)11-15(12-23(27)41(49)50)39-28(43)20-8-7-19-21(25(20)29(39)44)13-32(35)30(45)38(14-34)31(46)33(32,36)26(19)18-9-10-24(42)17-6-4-3-5-16(17)18/h3-7,9-12,20-21,25-26,42H,8,13-14H2,1-2H3/t20-,21+,25-,26-,32+,33-/m0/s1
SMILES: C[C@@]12CCCC(=C)[C@H]1C[C@@H]3[C@@H](C2)OC(=O)[C@H]3CN(C)C[C@](C)(C4=CC=CC=C4)O
InChI: InChI=1S/C25H35NO3/c1-17-9-8-12-24(2)14-22-19(13-21(17)24)20(23(27)29-22)15-26(4)16-25(3,28)18-10-6-5-7-11-18/h5-7,10-11,19-22,28H,1,8-9,12-16H2,2-4H3/t19-,20-,21+,22+,24-,25+/m0/s1
SMILES: CC(C)C(=O)O[C@H]1[C@@H]([C@H](O[C@@H]2[C@]1(O[C@H]3[C@@H](C2)O[C@H]([C@@H]3OC)N4C=NC5=C(N=CN=C54)N)O)C(=O)OC)O
InChI: InChI=1S/C22H29N5O10/c1-8(2)20(29)36-16-12(28)14(21(30)33-4)35-10-5-9-13(37-22(10,16)31)15(32-3)19(34-9)27-7-26-11-17(23)24-6-25-18(11)27/h6-10,12-16,19,28,31H,5H2,1-4H3,(H2,23,24,25)/t9-,10+,12-,13+,14+,15-,16+,19-,22-/m1/s1
SMILES: C[C@@H]1C[C@H]1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)SC(F)F
InChI: InChI=1S/C19H16F2N2O2S/c1-11-8-16(11)17-7-4-14(25-17)9-12(10-22)18(24)23-13-2-5-15(6-3-13)26-19(20)21/h2-7,9,11,16,19H,8H2,1H3,(H,23,24)/b12-9+/t11-,16-/m1/s1
SMILES: CCN(C)N1[C@@H]2[C@H](C([C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O[C@@H]([C@]2(OC1=O)C)C)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OCCCC4=C5C=CC=NC5=CC=C4)C)N)C
InChI: InChI=1S/C44H68FN5O9/c1-13-49(12)50-36-27(4)34(46)25(2)24-42(7,55-22-16-18-30-17-14-20-32-31(30)19-15-21-47-32)38(58-39-35(51)33(48(10)11)23-26(3)56-39)28(5)37(52)43(8,45)40(53)57-29(6)44(36,9)59-41(50)54/h14-15,17,19-21,25-29,33-36,38-39,51H,13,16,18,22-24,46H2,1-12H3/t25-,26-,27+,28+,29-,33+,34?,35-,36-,38-,39+,42+,43?,44-/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC(=C(C(=C6)C)O)C)C)C7=CC(=C(C=C7)F)Cl)Cl
InChI: InChI=1S/C36H31Cl2FN2O5/c1-16-5-6-20(13-26(16)37)40-32(43)23-9-8-22-24(29(23)34(40)45)15-25-33(44)41(21-7-10-28(39)27(38)14-21)35(46)36(25,4)30(22)19-11-17(2)31(42)18(3)12-19/h5-8,10-14,23-25,29-30,42H,9,15H2,1-4H3/t23-,24+,25-,29-,30-,36+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6CCCCC6)C
InChI: InChI=1S/C40H51NO5S2/c1-29-11-9-22-39(2)36(34-20-18-31(25-33(42)19-17-29)26-35(34)38(43)32-14-7-4-8-15-32)21-23-40(39,44)28-41(27-30-12-5-3-6-13-30)48(45,46)37-16-10-24-47-37/h3,5-6,10-13,16,18,20,24,26,32-33,36,42,44H,4,7-9,14-15,17,19,21-23,25,27-28H2,1-2H3/t33-,36-,39-,40+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4=CSC(=N4)NCCC5=CC=CC=N5)CC[C@@H]6[C@@]3(C=CC(=O)N6C)C
InChI: InChI=1S/C29H38N4OS/c1-28-14-11-22-20(7-10-25-29(22,2)15-12-26(34)33(25)3)21(28)8-9-23(28)24-18-35-27(32-24)31-17-13-19-6-4-5-16-30-19/h4-6,12,15-16,18,20-23,25H,7-11,13-14,17H2,1-3H3,(H,31,32)/t20-,21-,22-,23+,25+,28-,29+/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC=CC=C5C=CC6CCC7C(C6)O7)OC8(O4)CC9=CC=CC=C9C8
InChI: InChI=1S/C42H50N2O10/c1-40(2,3)51-33(46)17-15-29(23-45)43-39(48)42-21-32-34-35(53-41(52-34)19-26-9-5-6-10-27(26)20-41)37(42)54-44(36(42)38(47)50-32)22-28-11-7-4-8-25(28)14-12-24-13-16-30-31(18-24)49-30/h4-12,14,24,29-32,34-37,45H,13,15-23H2,1-3H3,(H,43,48)/t24?,29-,30?,31?,32+,34-,35-,36-,37+,42-/m0/s1
SMILES: CC1(OC[C@]2(O1)[C@@H]([C@@H]([C@H]3[C@@H]2OC(O3)(C)C)O)NC(=S)NCC4=CC=CC=C4)C
InChI: InChI=1S/C20H28N2O5S/c1-18(2)24-11-20(27-18)15(13(23)14-16(20)26-19(3,4)25-14)22-17(28)21-10-12-8-6-5-7-9-12/h5-9,13-16,23H,10-11H2,1-4H3,(H2,21,22,28)/t13-,14+,15-,16+,20+/m1/s1
SMILES: CCC(C)OC(=O)[C@@H]1C[C@@H]2CCC[C@@H]([C@@H]2C1)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H38O3Si/c1-8-14(2)22-19(21)16-12-15-10-9-11-18(17(15)13-16)23-24(6,7)20(3,4)5/h14-18H,8-13H2,1-7H3/t14?,15-,16+,17+,18-/m0/s1
SMILES: C/C(=N/NC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2)/C3=CC=C(C=C3)NC(=O)C4=CC=C(S4)Cl
InChI: InChI=1S/C23H20ClN3O2S/c1-14(26-27-22(28)19-13-18(19)16-5-3-2-4-6-16)15-7-9-17(10-8-15)25-23(29)20-11-12-21(24)30-20/h2-12,18-19H,13H2,1H3,(H,25,29)(H,27,28)/b26-14-/t18-,19+/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@H]2C[C@@H]2C(=O)N/N=C\C3=CC=CC=C3OCC(=O)O
InChI: InChI=1S/C23H26N2O4/c1-23(2,3)17-10-8-15(9-11-17)18-12-19(18)22(28)25-24-13-16-6-4-5-7-20(16)29-14-21(26)27/h4-11,13,18-19H,12,14H2,1-3H3,(H,25,28)(H,26,27)/b24-13-/t18-,19+/m1/s1
SMILES: C[C@@H]1C(=O)C[C@H]2[C@H](C3=C([C@H](CC[C@]3(C([C@@H]([C@@]1(C2(C)C)O)OC(=O)C)OC(=O)C)C)O)CO)OC(=O)C
InChI: InChI=1S/C26H38O10/c1-12-19(32)10-17-21(34-13(2)28)20-16(11-27)18(31)8-9-25(20,7)22(35-14(3)29)23(36-15(4)30)26(12,33)24(17,5)6/h12,17-18,21-23,27,31,33H,8-11H2,1-7H3/t12-,17+,18+,21-,22?,23+,25-,26+/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@H]2NC(=S)NCCC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C16H20Cl2N2S/c17-13-4-3-11(14(18)9-13)5-6-19-16(21)20-15-8-10-1-2-12(15)7-10/h3-4,9-10,12,15H,1-2,5-8H2,(H2,19,20,21)/t10-,12-,15+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OCC[C@H]1CC(=O)N(C[C@@H]1C(=O)OC)CC2=CC=CC=C2
InChI: InChI=1S/C22H35NO4Si/c1-22(2,3)28(5,6)27-13-12-18-14-20(24)23(16-19(18)21(25)26-4)15-17-10-8-7-9-11-17/h7-11,18-19H,12-16H2,1-6H3/t18-,19-/m0/s1
SMILES: CC1([C@@H]2CC[C@]1([C@H](C2)N3C(=O)CC(C3=O)CC(=O)NC4=NNN=N4)CS(=O)(=O)N5CCC6(CCC7=CC=CC=C76)CC5)C
InChI: InChI=1S/C30H39N7O5S/c1-28(2)21-8-10-30(28,18-43(41,42)36-13-11-29(12-14-36)9-7-19-5-3-4-6-22(19)29)23(17-21)37-25(39)16-20(26(37)40)15-24(38)31-27-32-34-35-33-27/h3-6,20-21,23H,7-18H2,1-2H3,(H2,31,32,33,34,35,38)/t20?,21-,23+,30-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)CCC2=NC(=NO2)C3=CC=CS3
InChI: InChI=1S/C18H23N3O4S/c1-12-5-2-3-6-13(12)19-15(22)11-24-17(23)9-8-16-20-18(21-25-16)14-7-4-10-26-14/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3,(H,19,22)/t12-,13-/m1/s1
SMILES: CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=C[N+](=CC=C3)C)CCCC.[I-]
InChI: InChI=1S/C26H39N2O3S.HI/c1-6-8-14-26(15-9-7-2)19-32(30,31)23-13-12-21(27(3)4)17-22(23)24(25(26)29)20-11-10-16-28(5)18-20;/h10-13,16-18,24-25,29H,6-9,14-15,19H2,1-5H3;1H/q+1;/p-1/t24-,25-;/m1./s1
SMILES: CC1(N([C@H]([C@@H](O1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)OCC4=C(C=CC=C4Cl)Cl)/C=C/C(=O)O)CCCNC(=O)OCC5=CC=CC=C5)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C49H56Cl2N4O10/c1-48(2,3)65-47(61)55-41(20-13-27-52-46(60)63-30-34-16-10-7-11-17-34)43(64-49(55,4)5)45(59)54-40(29-32-14-8-6-9-15-32)44(58)53-35(23-26-42(56)57)28-33-21-24-36(25-22-33)62-31-37-38(50)18-12-19-39(37)51/h6-12,14-19,21-26,35,40-41,43H,13,20,27-31H2,1-5H3,(H,52,60)(H,53,58)(H,54,59)(H,56,57)/b26-23+/t35-,40-,41+,43-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C
InChI: InChI=1S/C21H28N2O4/c1-14-9-7-8-12-18(14)23-20(25)15(2)27-21(26)19(22-16(3)24)13-17-10-5-4-6-11-17/h4-6,10-11,13-15,18H,7-9,12H2,1-3H3,(H,22,24)(H,23,25)/b19-13-/t14-,15-,18-/m1/s1
SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH+](CCO)CC4=CC=CC=C4
InChI: InChI=1S/C24H33NO3/c1-17-7-6-10-24(2)14-22-19(13-21(17)24)20(23(27)28-22)16-25(11-12-26)15-18-8-4-3-5-9-18/h3-5,8-9,19-22,26H,1,6-7,10-16H2,2H3/p+1/t19-,20-,21+,22-,24-/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)[C@@H]2[C@@H]3CC=C[C@@H]3C4=C(C=CC(=C4N2)Cl)C(=O)O
InChI: InChI=1S/C21H20ClNO4/c1-26-11-6-9-17(27-2)15(10-11)19-13-5-3-4-12(13)18-14(21(24)25)7-8-16(22)20(18)23-19/h3-4,6-10,12-13,19,23H,5H2,1-2H3,(H,24,25)/t12-,13+,19-/m0/s1
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)S(=O)(=O)N(C)[C@H]4[C@H](C5CCC4O5)C(=O)NO
InChI: InChI=1S/C25H27N3O6S/c1-15-13-16(19-5-3-4-6-20(19)26-15)14-33-17-7-9-18(10-8-17)35(31,32)28(2)24-22-12-11-21(34-22)23(24)25(29)27-30/h3-10,13,21-24,30H,11-12,14H2,1-2H3,(H,27,29)/t21?,22?,23-,24+/m0/s1
SMILES: C[C@H](CCCC(C)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)OC(=O)C)C)O)C
InChI: InChI=1S/C29H48O4/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(31)29(32)17-21(33-20(4)30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-25,32H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,27-,28-,29-/m1/s1
SMILES: C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O
InChI: InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9?,10+,11?,12?,13?,14-,15?/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@@H]2[C@H](O1)OC3=C(S2)C(=O)NC(=O)N3)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H16N2O8S/c1-4-7(22-5(2)17)8(23-6(3)18)9-13(21-4)24-12-10(25-9)11(19)15-14(20)16-12/h4,7-9,13H,1-3H3,(H2,15,16,19,20)/t4-,7-,8+,9+,13+/m0/s1
SMILES: C/C=C(\C)/CC[C@H]1[C@](CCC2[C@@]1(C[C@H]3[C@@H](C2(C)C)OC(O3)(C)C)C)(C)O
InChI: InChI=1S/C23H40O3/c1-9-15(2)10-11-18-22(7)14-16-19(26-21(5,6)25-16)20(3,4)17(22)12-13-23(18,8)24/h9,16-19,24H,10-14H2,1-8H3/b15-9+/t16-,17?,18+,19-,22-,23+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@@H]4CC[C@H]([C@H]3C2=O)C=C4)Br
InChI: InChI=1S/C17H16BrNO2/c1-9-2-7-12(8-13(9)18)19-16(20)14-10-3-4-11(6-5-10)15(14)17(19)21/h2-4,7-8,10-11,14-15H,5-6H2,1H3/t10-,11+,14-,15+
SMILES: CC(C)(C)[Si](C)(C)O[C@H]\1[C@@H](O[C@@H](/C1=N\O)CO)N2C=CC(=O)NC2=O
InChI: InChI=1S/C15H25N3O6Si/c1-15(2,3)25(4,5)24-12-11(17-22)9(8-19)23-13(12)18-7-6-10(20)16-14(18)21/h6-7,9,12-13,19,22H,8H2,1-5H3,(H,16,20,21)/b17-11+/t9-,12-,13-/m1/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=CC=C(C=C4)O)C(=O)N(C3=O)CCCC(=O)O)[C@@H]5[C@H]1C(=O)N(C5=O)CCCC(=O)O
InChI: InChI=1S/C28H30N2O9/c31-15-7-5-14(6-8-15)22-16-9-10-17-23(27(38)29(25(17)36)11-1-3-20(32)33)18(16)13-19-24(22)28(39)30(26(19)37)12-2-4-21(34)35/h5-9,17-19,22-24,31H,1-4,10-13H2,(H,32,33)(H,34,35)/t17-,18+,19+,22-,23-,24+/m0/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=C(C=C3)I)C(=O)NCCO)CCCCC
InChI: InChI=1S/C27H38INO6/c1-3-5-7-13-27(14-8-6-4-2)34-23-18-20(25(31)29-15-16-30)17-22(24(23)35-27)33-26(32)19-9-11-21(28)12-10-19/h9-12,18,22-24,30H,3-8,13-17H2,1-2H3,(H,29,31)/t22-,23-,24+/m1/s1
SMILES: CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)N[C@@H]4C[C@@H]5C[C@H]4C=C5)C(=O)O
InChI: InChI=1S/C22H26N6O3S/c1-2-26-12-16(20(30)31)18(29)15-11-23-21(25-19(15)26)27-5-7-28(8-6-27)22(32)24-17-10-13-3-4-14(17)9-13/h3-4,11-14,17H,2,5-10H2,1H3,(H,24,32)(H,30,31)/t13-,14+,17+/m0/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1([C@@H]3[C@@H](N3C)[C@H]4[C@H]2CC[C@H]5[C@@]4(CCC(=O)C5)C)C
InChI: InChI=1S/C22H33NO2/c1-12(24)16-7-8-17-15-6-5-13-11-14(25)9-10-21(13,2)18(15)19-20(23(19)4)22(16,17)3/h13,15-20H,5-11H2,1-4H3/t13-,15+,16-,17+,18-,19+,20+,21+,22-,23?/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl
InChI: InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9?,10-,14-/m1/s1
SMILES: CC(=O)O[C@@H]1CS[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)SC2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C17H19NO8S2/c1-9(19)24-14-8-27-17(16(26-11(3)21)15(14)25-10(2)20)28-13-6-4-12(5-7-13)18(22)23/h4-7,14-17H,8H2,1-3H3/t14-,15+,16-,17+/m1/s1
SMILES: C[C@@H]1[C@@](C(=O)CO1)(C)NC(=O)[C@@H](CC2CCCCC2)NC(=O)C3=CSC=C3
InChI: InChI=1S/C20H28N2O4S/c1-13-20(2,17(23)11-26-13)22-19(25)16(10-14-6-4-3-5-7-14)21-18(24)15-8-9-27-12-15/h8-9,12-14,16H,3-7,10-11H2,1-2H3,(H,21,24)(H,22,25)/t13-,16-,20-/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NCC(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OCC(=O)N)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O
InChI: InChI=1S/C39H40N2O20/c1-10-3-16-24(31(52)21(10)37(56)41-7-20(45)46)23-14(6-15-25(32(23)53)28(49)13-4-12(57-9-19(40)44)5-17(42)22(13)27(15)48)29(50)35(16)60-39-34(55)36(26(47)11(2)59-39)61-38-33(54)30(51)18(43)8-58-38/h3-6,11,18,26,29-30,33-36,38-39,42-43,47,50-55H,7-9H2,1-2H3,(H2,40,44)(H,41,56)(H,45,46)/t11-,18-,26+,29+,30+,33-,34-,35+,36+,38+,39+/m1/s1
SMILES: C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CCC4[C@@]3(CC[C@H](C4)OC(=O)CCCC5=CC=C(C=C5)N(CCCl)CCCl)C)O)C
InChI: InChI=1S/C40H60Cl2N2O6/c1-26(7-16-36(46)43-25-37(47)48)32-14-15-33-31-13-10-28-23-30(17-18-39(28,2)34(31)24-35(45)40(32,33)3)50-38(49)6-4-5-27-8-11-29(12-9-27)44(21-19-41)22-20-42/h8-9,11-12,26,28,30-35,45H,4-7,10,13-25H2,1-3H3,(H,43,46)(H,47,48)/t26-,28?,30-,31+,32-,33+,34+,35+,39+,40-/m1/s1
SMILES: CC1C(=O)O[C@@H]([C@@H](N1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H23NO4/c1-18-24(27)30-23(21-15-9-4-10-16-21)22(20-13-7-3-8-14-20)26(18)25(28)29-17-19-11-5-2-6-12-19/h2-16,18,22-23H,17H2,1H3/t18?,22-,23+/m0/s1
SMILES: CC1([C@@H]2COC3=C([C@@H]2NC4=C(C=CC=C41)C(=O)O)C=C(C=C3)Br)C
InChI: InChI=1S/C19H18BrNO3/c1-19(2)13-5-3-4-11(18(22)23)16(13)21-17-12-8-10(20)6-7-15(12)24-9-14(17)19/h3-8,14,17,21H,9H2,1-2H3,(H,22,23)/t14-,17+/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN3CCN(CC3)C(=O)C4=CC=CO4)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)CC6=C(C=CC=C6Cl)F)C
InChI: InChI=1S/C39H46ClFN2O5/c1-26-6-4-15-38(2)32(14-16-39(38,47)25-42-17-19-43(20-18-42)37(46)36-9-5-21-48-36)29-13-11-27(22-28(44)12-10-26)23-30(29)35(45)24-31-33(40)7-3-8-34(31)41/h3,5-9,11,13,21,23,28,32,44,47H,4,10,12,14-20,22,24-25H2,1-2H3/t28-,32-,38-,39+/m0/s1
SMILES: CCOC(=O)N1CCN(CC1)C[C@H]2[C@H]3C=C4[C@H](CCC[C@]4(C[C@H]3OC2=O)C)C
InChI: InChI=1S/C22H34N2O4/c1-4-27-21(26)24-10-8-23(9-11-24)14-17-16-12-18-15(2)6-5-7-22(18,3)13-19(16)28-20(17)25/h12,15-17,19H,4-11,13-14H2,1-3H3/t15-,16+,17-,19+,22-/m0/s1
SMILES: C1C=CC[C@H]([C@H]1C(=O)NC2=CC=CC3=CC=CC=C32)C(=O)O
InChI: InChI=1S/C18H17NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-8,11,14-15H,9-10H2,(H,19,20)(H,21,22)/t14-,15+/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=C4CNC(=O)CCCC(=O)O)CN5CCC6(CC5)C(=O)NCN6C7=CC=CC=C7
InChI: InChI=1S/C44H50N4O7/c1-30-38(27-47-24-22-44(23-25-47)43(53)46-29-48(44)36-9-3-2-4-10-36)54-42(55-41(30)33-16-14-31(28-49)15-17-33)34-20-18-32(19-21-34)37-11-6-5-8-35(37)26-45-39(50)12-7-13-40(51)52/h2-6,8-11,14-21,30,38,41-42,49H,7,12-13,22-29H2,1H3,(H,45,50)(H,46,53)(H,51,52)/t30-,38+,41+,42+/m0/s1
SMILES: C1C[C@@H]2[C@@H]([C@H]([C@H]1O2)C(=O)NCC3=CN=CC=C3)C(=O)O
InChI: InChI=1S/C14H16N2O4/c17-13(16-7-8-2-1-5-15-6-8)11-9-3-4-10(20-9)12(11)14(18)19/h1-2,5-6,9-12H,3-4,7H2,(H,16,17)(H,18,19)/t9-,10+,11-,12-/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H]([C@@H]([C@H](O3)[Se]C4=CC=CC=C4)OCC5=CC=C(C=C5)OC)OCC6=CC=CC=C6
InChI: InChI=1S/C42H46O5SeSi/c1-42(2,3)49(36-21-13-7-14-22-36,37-23-15-8-16-24-37)46-31-38-39(44-29-32-17-9-5-10-18-32)40(41(47-38)48-35-19-11-6-12-20-35)45-30-33-25-27-34(43-4)28-26-33/h5-28,38-41H,29-31H2,1-4H3/t38-,39-,40+,41-/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)C5=CC=C(C=C5)C6=NC7=CC=CC=C7O6)C8=C(C=CC(=C8)Cl)O
InChI: InChI=1S/C36H25ClN2O6/c1-17-14-28(41)25-16-23-21(30(32(25)33(17)42)24-15-19(37)8-13-27(24)40)11-12-22-31(23)36(44)39(35(22)43)20-9-6-18(7-10-20)34-38-26-4-2-3-5-29(26)45-34/h2-11,13-15,22-23,30-31,40H,12,16H2,1H3/t22-,23+,30+,31-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@H]1C(=O)COC(=O)C)C)C
InChI: InChI=1S/C24H30O5/c1-13-9-18-17-6-5-15-10-16(26)7-8-23(15,4)24(17)20(29-24)11-22(18,3)21(13)19(27)12-28-14(2)25/h7-8,10,13,17-18,20-21H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,20+,21-,22+,23+,24-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)Cl
InChI: InChI=1S/C19H23ClN2O4/c1-13-4-2-3-5-16(13)21-19(25)22-17(23)12-26-18(24)11-8-14-6-9-15(20)10-7-14/h6-11,13,16H,2-5,12H2,1H3,(H2,21,22,23,25)/b11-8+/t13-,16+/m1/s1
SMILES: CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C6C(=CC(=C5)OC)N([C@@H]7[C@]68CCN9C8[C@@](C=CC9)([C@H]([C@@]7(C(=O)NN(C)CCCCCC(=O)NCCC=O)O)O)CC)C)C(=O)OC)O
InChI: InChI=1S/C53H73N7O9/c1-7-49(66)30-34-31-52(48(65)69-6,43-37(19-25-59(32-34)33-49)36-16-11-12-17-39(36)55-43)38-28-35(68-5)29-40-42(38)51-21-26-60-24-14-20-50(8-2,44(51)60)46(63)53(67,45(51)58(40)4)47(64)56-57(3)23-13-9-10-18-41(62)54-22-15-27-61/h11-12,14,16-17,20,27-29,34,44-46,55,63,66-67H,7-10,13,15,18-19,21-26,30-33H2,1-6H3,(H,54,62)(H,56,64)/t34-,44?,45-,46-,49+,50-,51-,52+,53+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC(=C(C(=C2)Cl)O)OC)/C#N
InChI: InChI=1S/C18H21ClN2O3/c1-11-5-3-4-6-15(11)21-18(23)13(10-20)7-12-8-14(19)17(22)16(9-12)24-2/h7-9,11,15,22H,3-6H2,1-2H3,(H,21,23)/b13-7+/t11-,15+/m0/s1
SMILES: CC(=O)O[C@@H]([C@H]([C@H]1[C@@H](OC(O1)(C)C)C(OC)OC)O[C@H]2[C@@H]([C@@H]3[C@H]([C@H](O2)COCC4=CC=CC=C4)OC(O3)(C)C)OCC5=CC=CC=C5)C(=O)O
InChI: InChI=1S/C36H48O14/c1-21(37)44-29(32(38)39)26(28-31(33(40-6)41-7)50-36(4,5)49-28)46-34-30(43-19-23-16-12-9-13-17-23)27-25(47-35(2,3)48-27)24(45-34)20-42-18-22-14-10-8-11-15-22/h8-17,24-31,33-34H,18-20H2,1-7H3,(H,38,39)/t24-,25+,26+,27+,28+,29+,30-,31-,34+/m1/s1
SMILES: CC1=C[C@H]2[C@@H]3[C@H]([C@@H]1P2C4=C(C=C(C=C4C(C)(C)C)C(C)(C)C)C(C)(C)C)C(=O)N(C3=O)C5=CC=CC=C5
InChI: InChI=1S/C33H42NO2P/c1-19-16-24-25-26(30(36)34(29(25)35)21-14-12-11-13-15-21)27(19)37(24)28-22(32(5,6)7)17-20(31(2,3)4)18-23(28)33(8,9)10/h11-18,24-27H,1-10H3/t24-,25+,26+,27+,37?/m0/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C=C/C3=CC=CC=C3OC)SC1)C(=O)O
InChI: InChI=1S/C20H20N2O7S/c1-11(23)29-9-13-10-30-19-16(18(25)22(19)17(13)20(26)27)21-15(24)8-7-12-5-3-4-6-14(12)28-2/h3-8,16,19H,9-10H2,1-2H3,(H,21,24)(H,26,27)/b8-7+/t16-,19-/m1/s1
SMILES: C[C@]12C[C@@H]([C@@H]3C4=C(CCC3([C@@H]1CC[C@@H]2O)C=C)C=C(C=C4)O)CCCC[C@@H](C(C(C(F)(F)F)(F)F)(F)F)O
InChI: InChI=1S/C28H35F7O3/c1-3-25-13-12-16-14-18(36)8-9-19(16)23(25)17(15-24(2)20(25)10-11-21(24)37)6-4-5-7-22(38)26(29,30)27(31,32)28(33,34)35/h3,8-9,14,17,20-23,36-38H,1,4-7,10-13,15H2,2H3/t17-,20+,21-,22-,23+,24-,25?/m0/s1
SMILES: CC(=O)O[C@@]12CCCC[C@]1([C@H]([C@H](C=C2)O)O)OC(=O)C
InChI: InChI=1S/C14H20O6/c1-9(15)19-13-6-3-4-7-14(13,20-10(2)16)12(18)11(17)5-8-13/h5,8,11-12,17-18H,3-4,6-7H2,1-2H3/t11-,12-,13+,14+/m0/s1
SMILES: C[C@H]1C[C@H]([C@H](NC1)C2=CC(=C(C=C2)OC)OC)NCC3=CC=CC=C3OC
InChI: InChI=1S/C22H30N2O3/c1-15-11-18(23-14-17-7-5-6-8-19(17)25-2)22(24-13-15)16-9-10-20(26-3)21(12-16)27-4/h5-10,12,15,18,22-24H,11,13-14H2,1-4H3/t15-,18+,22+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC(=O)C3=CC=CC=C3O2
InChI: InChI=1S/C20H23NO5/c1-12-7-3-5-9-15(12)21-19(23)13(2)25-20(24)18-11-16(22)14-8-4-6-10-17(14)26-18/h4,6,8,10-13,15H,3,5,7,9H2,1-2H3,(H,21,23)/t12-,13+,15+/m0/s1
SMILES: CC1=CC=C(C=C1)NC(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]2C(=O)O)O3
InChI: InChI=1S/C15H15NO4/c1-8-2-4-9(5-3-8)16-14(17)12-10-6-7-11(20-10)13(12)15(18)19/h2-7,10-13H,1H3,(H,16,17)(H,18,19)/t10-,11-,12-,13-/m1/s1
SMILES: CCCCCCCCCC1=C(NC(=O)C2=C1N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O)N
InChI: InChI=1S/C20H32N4O4/c1-2-3-4-5-6-7-8-9-13-18-17(20(27)23-19(13)21)22-12-24(18)16-10-14(26)15(11-25)28-16/h12,14-16,25-26H,2-11H2,1H3,(H3,21,23,27)/t14-,15+,16+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)F
InChI: InChI=1S/C18H22FN3OS3/c1-11-4-3-5-15(12(11)2)20-16(23)10-25-17-21-22(18(24)26-17)14-8-6-13(19)7-9-14/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,20,23)/t11-,12-,15+/m1/s1
SMILES: CCOC(=O)[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=C(C=C3)F)C(=O)N(C2=O)C)CC4=CC=CC=C4
InChI: InChI=1S/C23H23FN2O4/c1-3-30-22(29)23(13-14-7-5-4-6-8-14)18-17(20(27)26(2)21(18)28)19(25-23)15-9-11-16(24)12-10-15/h4-12,17-19,25H,3,13H2,1-2H3/p+1/t17-,18+,19-,23+/m0/s1
SMILES: CN1C(=O)N2CC=C3[C@H](N2C1=O)C[C@H]4C(=O)C(=CC(=O)[C@]4([C@H]3C5=CC=CC=C5O)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C33H27N3O5/c1-34-31(40)35-17-16-22-26(36(35)32(34)41)19-25-30(39)24(20-10-4-2-5-11-20)18-28(38)33(25,21-12-6-3-7-13-21)29(22)23-14-8-9-15-27(23)37/h2-16,18,25-26,29,37H,17,19H2,1H3/t25-,26+,29+,33-/m0/s1
SMILES: C[C@H]1CC(=C2[C@@H]3[C@@]1(CC/C(=C/CC[C@]4([C@H]([C@]2(OC3)O)O4)C)/C)C)O
InChI: InChI=1S/C20H30O4/c1-12-6-5-8-19(4)17(24-19)20(22)16-14(11-23-20)18(3,9-7-12)13(2)10-15(16)21/h6,13-14,17,21-22H,5,7-11H2,1-4H3/b12-6+/t13-,14+,17+,18+,19-,20-/m0/s1
SMILES: C1CC[C@@H]2[C@@]3(CC4=C(N2CC1)N=C5C=CC=CN5C4=O)C(=O)NC(=O)N(C3=O)CC6=CC=CC=C6Cl
InChI: InChI=1S/C26H24ClN5O4/c27-18-9-4-3-8-16(18)15-32-24(35)26(23(34)29-25(32)36)14-17-21(30-12-6-1-2-10-19(26)30)28-20-11-5-7-13-31(20)22(17)33/h3-5,7-9,11,13,19H,1-2,6,10,12,14-15H2,(H,29,34,36)/t19-,26+/m1/s1
SMILES: COC[C@H]1[C@@H](OC(=O)[C@H](CC=CC[C@@H](C(=O)N1)CC(=O)N2CC3=CC=CC=C3C[C@H]2CO)CC4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C37H42N2O6/c1-44-25-33-35(27-14-6-3-7-15-27)45-37(43)30(20-26-12-4-2-5-13-26)18-10-9-17-29(36(42)38-33)22-34(41)39-23-31-19-11-8-16-28(31)21-32(39)24-40/h2-16,19,29-30,32-33,35,40H,17-18,20-25H2,1H3,(H,38,42)/t29-,30-,32+,33+,35+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)N(C)CC2=CC(=C(C=C2C)OC)OC
InChI: InChI=1S/C19H30N2O2S/c1-13-8-6-7-9-16(13)20-19(24)21(3)12-15-11-18(23-5)17(22-4)10-14(15)2/h10-11,13,16H,6-9,12H2,1-5H3,(H,20,24)/t13-,16+/m1/s1
SMILES: CCCCNC(=O)CSC1=NN=C(N1[C@@H]2CCCC[C@@H]2C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C22H32N4O2S/c1-4-5-14-23-20(27)15-29-22-25-24-21(17-10-12-18(28-3)13-11-17)26(22)19-9-7-6-8-16(19)2/h10-13,16,19H,4-9,14-15H2,1-3H3,(H,23,27)/t16-,19+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C2=CC=C(C=C2)S(=O)(=O)NNC(=O)C3=CC=NC=C3
InChI: InChI=1S/C20H24N4O4S/c1-14-4-2-3-5-18(14)22-19(25)15-6-8-17(9-7-15)29(27,28)24-23-20(26)16-10-12-21-13-11-16/h6-14,18,24H,2-5H2,1H3,(H,22,25)(H,23,26)/t14-,18-/m0/s1
SMILES: CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2(C#N)C3=NC=C(C=C3)C4=C(C=C(C=C4)N5C[C@@H](OC5=O)CNC(=O)C6CC6)F
InChI: InChI=1S/C30H32FN5O5/c1-29(2,3)41-27(38)35-14-22-23(15-35)30(22,16-32)25-9-6-18(11-33-25)21-8-7-19(10-24(21)31)36-13-20(40-28(36)39)12-34-26(37)17-4-5-17/h6-11,17,20,22-23H,4-5,12-15H2,1-3H3,(H,34,37)/t20-,22-,23+,30?/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@@H](C(=C1)C)NC(=O)[C@@](C2=CC=CC=C2)(C(F)(F)F)OC)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O
InChI: InChI=1S/C28H31F3N2O6/c1-16-13-17(2)23(33-26(38)27(39-3,28(29,30)31)19-7-5-4-6-8-19)21(14-16)24(35)32-22(25(36)37)15-18-9-11-20(34)12-10-18/h4-13,16,21-23,34H,14-15H2,1-3H3,(H,32,35)(H,33,38)(H,36,37)/t16-,21-,22-,23+,27-/m0/s1