EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCC(CC)(C=C)[C@@H](C(=O)N1[C@@H](C[C@H]2[C@@H]1C2)C#N)NC(=O)OC(C)(C)C
InChI: InChI=1S/C20H31N3O3/c1-7-20(8-2,9-3)16(22-18(25)26-19(4,5)6)17(24)23-14(12-21)10-13-11-15(13)23/h7,13-16H,1,8-11H2,2-6H3,(H,22,25)/t13-,14+,15+,16-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53
InChI: InChI=1S/C23H23NO3S/c25-22(14-27-23(26)13-17-12-15-9-10-16(17)11-15)24-18-5-1-3-7-20(18)28-21-8-4-2-6-19(21)24/h1-8,15-17H,9-14H2/t15-,16+,17+/m0/s1
SMILES: CCN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C37H41NO4/c1-2-38-33-32(27-39-23-28-15-7-3-8-16-28)35(40-24-29-17-9-4-10-18-29)37(42-26-31-21-13-6-14-22-31)36(34(33)38)41-25-30-19-11-5-12-20-30/h3-22,32-37H,2,23-27H2,1H3/t32-,33+,34+,35+,36-,37-,38?/m0/s1
SMILES: CCOC1=CC(=C(C=C1NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])OCC)N3CCOCC3
InChI: InChI=1S/C22H30N2O6/c1-3-29-19-14-18(24-9-11-28-12-10-24)20(30-4-2)13-17(19)23-21(25)15-7-5-6-8-16(15)22(26)27/h5-6,13-16H,3-4,7-12H2,1-2H3,(H,23,25)(H,26,27)/p-1/t15-,16-/m1/s1
SMILES: C[C@H]1/C=C/C=C/CCC(=O)CC/C(=C(\CC[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)/C)/C=O
InChI: InChI=1S/C27H46O3Si/c1-20(2)31(21(3)4,22(5)6)30-27-18-15-23(7)25(19-28)16-17-26(29)14-12-10-9-11-13-24(27)8/h9-11,13,19-22,24,27H,12,14-18H2,1-8H3/b10-9+,13-11+,25-23+/t24-,27-/m0/s1
SMILES: C1C(=O)N(C(=S)S1)N2C(=O)[C@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C21H14N2O3S2/c24-14-9-28-21(27)22(14)23-19(25)17-15-10-5-1-2-6-11(10)16(18(17)20(23)26)13-8-4-3-7-12(13)15/h1-8,15-18H,9H2/t15?,16?,17-,18-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C5CN(CCS5)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])C(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])[C@@H](C)O
InChI: InChI=1S/C41H42N6O14S2/c1-23-35-34(24(2)48)38(49)44(35)36(39(50)59-20-25-3-9-28(10-4-25)45(53)54)37(23)63-31-17-32(43(18-31)41(52)61-22-27-7-13-30(14-8-27)47(57)58)33-19-42(15-16-62-33)40(51)60-21-26-5-11-29(12-6-26)46(55)56/h3-14,23-24,31-35,48H,15-22H2,1-2H3/t23-,24-,31+,32+,33?,34-,35-/m1/s1
SMILES: C1CC[C@H]([C@H](C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C(=O)[O-]
InChI: InChI=1S/C16H21ClN2O5S2/c17-13-5-6-14(25-13)26(23,24)19-9-7-18(8-10-19)15(20)11-3-1-2-4-12(11)16(21)22/h5-6,11-12H,1-4,7-10H2,(H,21,22)/p-1/t11-,12+/m0/s1
SMILES: CN1C(=O)C2=C(N(N=C2N3C1=N[C@H]4[C@@H]3CCCC4)CC5=CC=C(C=C5)C6=CSN=N6)NC7=CC=CC=C7
InChI: InChI=1S/C27H26N8OS/c1-33-26(36)23-24(28-19-7-3-2-4-8-19)34(15-17-11-13-18(14-12-17)21-16-37-32-30-21)31-25(23)35-22-10-6-5-9-20(22)29-27(33)35/h2-4,7-8,11-14,16,20,22,28H,5-6,9-10,15H2,1H3/t20-,22+/m1/s1
SMILES: CC1=C(C=C(C=C1)Cl)N2C(=O)[C@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)C)C
InChI: InChI=1S/C27H22ClNO2/c1-15-12-13-16(28)14-21(15)29-24(30)22-23(25(29)31)27(3)19-10-6-4-8-17(19)26(22,2)18-9-5-7-11-20(18)27/h4-14,22-23H,1-3H3/t22-,23+,26?,27?
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)SC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4
InChI: InChI=1S/C24H27N3OS/c1-16-10-6-9-15-21(16)25-23(28)17(2)29-24-20-14-8-7-13-19(20)22(26-27-24)18-11-4-3-5-12-18/h3-5,7-8,11-14,16-17,21H,6,9-10,15H2,1-2H3,(H,25,28)/t16-,17+,21-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45C[C@@H]5O)C
InChI: InChI=1S/C21H30O2/c1-19-8-5-14(22)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20)12-18(21)23/h11,15-18,23H,3-10,12H2,1-2H3/t15-,16+,17+,18+,19+,20+,21+/m1/s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@@H]3C[C@@H](O[C@@H](O3)C4=CC=C(C=C4)CNC(=O)CCC(=O)O)C5=CC=C(C=C5)CO
InChI: InChI=1S/C37H51N3O7/c1-37(2,3)39-35(45)31-17-16-26-6-4-5-7-30(26)40(31)22-29-20-32(27-12-10-25(23-41)11-13-27)47-36(46-29)28-14-8-24(9-15-28)21-38-33(42)18-19-34(43)44/h8-15,26,29-32,36,41H,4-7,16-23H2,1-3H3,(H,38,42)(H,39,45)(H,43,44)/t26-,29+,30-,31-,32-,36-/m1/s1
SMILES: CC(C)N1[C@@H]2CCCC[C@H]2N(P1(=O)C(/C=C/C3=CC=CC=C3)O)C(C)C
InChI: InChI=1S/C21H33N2O2P/c1-16(2)22-19-12-8-9-13-20(19)23(17(3)4)26(22,25)21(24)15-14-18-10-6-5-7-11-18/h5-7,10-11,14-17,19-21,24H,8-9,12-13H2,1-4H3/b15-14+/t19-,20-,21?/m1/s1
SMILES: CC1(O[C@H]2CN([C@@H]([C@H]2O1)CN[C@H](C3=CC=CC=C3)[C@H](C4=CC=CC=C4)O)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C27H36N2O5/c1-26(2,3)34-25(31)29-17-21-24(33-27(4,5)32-21)20(29)16-28-22(18-12-8-6-9-13-18)23(30)19-14-10-7-11-15-19/h6-15,20-24,28,30H,16-17H2,1-5H3/t20-,21+,22-,23+,24-/m1/s1
SMILES: C1=CC=C2C3[C@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)NC(=O)C6=CC(=C(C=C6)Cl)Cl
InChI: InChI=1S/C25H16Cl2N2O3/c26-17-10-9-12(11-18(17)27)23(30)28-29-24(31)21-19-13-5-1-2-6-14(13)20(22(21)25(29)32)16-8-4-3-7-15(16)19/h1-11,19-22H,(H,28,30)/t19?,20?,21-,22-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)NC4=O
InChI: InChI=1S/C25H23BrCl2N2O7/c1-36-16-7-11(8-17(37-2)19(16)31)3-6-15-12-4-5-13-18(21(33)29-20(13)32)14(12)9-24(27)22(34)30(10-26)23(35)25(15,24)28/h3-4,6-8,13-15,18,31H,5,9-10H2,1-2H3,(H,29,32,33)/t13-,14+,15-,18-,24+,25-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)CSCC(=O)NC2=CC=CC(=C2)C
InChI: InChI=1S/C19H28N2O2S/c1-13-6-4-8-16(10-13)20-18(22)11-24-12-19(23)21-17-9-5-7-14(2)15(17)3/h4,6,8,10,14-15,17H,5,7,9,11-12H2,1-3H3,(H,20,22)(H,21,23)/t14-,15-,17+/m0/s1
SMILES: CC(C)/C=C/[C@@H]1[C@H](OC(O1)(C)C)[C@H]([C@H](C(=O)N[C@H]2CC[C@@H](CN(C2=O)C)O)OC)O
InChI: InChI=1S/C21H36N2O7/c1-12(2)7-10-15-17(30-21(3,4)29-15)16(25)18(28-6)19(26)22-14-9-8-13(24)11-23(5)20(14)27/h7,10,12-18,24-25H,8-9,11H2,1-6H3,(H,22,26)/b10-7+/t13-,14-,15+,16+,17-,18+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2([C@@H]3CC[C@H]2[C@@H]4[C@H]3O4)C
InChI: InChI=1S/C15H18O4S/c1-9-3-5-10(6-4-9)20(16,17)19-15(2)11-7-8-12(15)14-13(11)18-14/h3-6,11-14H,7-8H2,1-2H3/t11-,12+,13+,14-,15?
SMILES: CC[C@H](C)[C@H]1[C@](OC(O1)(C)C)(CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C=O
InChI: InChI=1S/C27H38O4Si/c1-8-21(2)24-27(19-28,31-26(6,7)30-24)20-29-32(25(3,4)5,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-19,21,24H,8,20H2,1-7H3/t21-,24-,27+/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3N4C(=NN=N4)OC5=CC=C(C=C5)N6C=NC=N6
InChI: InChI=1S/C23H23N9O5/c1-34-16-6-2-14(3-7-16)26-22(33)27-18-10-35-21-19(11-36-20(18)21)32-23(28-29-30-32)37-17-8-4-15(5-9-17)31-13-24-12-25-31/h2-9,12-13,18-21H,10-11H2,1H3,(H2,26,27,33)/t18-,19-,20+,21+/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C5=CC=CC=C45)O)C6=CC=C(C=C6)Cl)NC7=C(C=C(C=N7)C(F)(F)F)Cl)[C@@H]8[C@H]1C(=O)N(C8=O)CCCC(=O)O
InChI: InChI=1S/C40H31Cl2F3N4O7/c41-21-9-7-19(8-10-21)39-28(36(54)49(38(39)56)47-34-29(42)16-20(18-46-34)40(43,44)45)17-27-25(33(39)24-13-14-30(50)23-5-2-1-4-22(23)24)11-12-26-32(27)37(55)48(35(26)53)15-3-6-31(51)52/h1-2,4-5,7-11,13-14,16,18,26-28,32-33,50H,3,6,12,15,17H2,(H,46,47)(H,51,52)/t26-,27+,28-,32-,33-,39+/m0/s1
SMILES: C[C@]12C=CCC[C@@H]1C(=O)C[C@@H]3C2C=C[C@H](O3)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C31H38O3Si/c1-30(2,3)35(24-13-7-5-8-14-24,25-15-9-6-10-16-25)33-22-23-18-19-27-29(34-23)21-28(32)26-17-11-12-20-31(26,27)4/h5-10,12-16,18-20,23,26-27,29H,11,17,21-22H2,1-4H3/t23-,26+,27?,29+,31-/m0/s1
SMILES: CC(C)(C)NC(=O)CCNC(=O)C(=O)C(CCC=C)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(Cl)Cl)CN1C(=O)[C@H](C3CCCCC3)NC(=O)OC(C)(C)C
InChI: InChI=1S/C33H51Cl2N5O7/c1-8-9-15-21(26(42)28(44)36-17-16-22(41)39-31(2,3)4)37-27(43)25-23-20(33(23,34)35)18-40(25)29(45)24(19-13-11-10-12-14-19)38-30(46)47-32(5,6)7/h8,19-21,23-25H,1,9-18H2,2-7H3,(H,36,44)(H,37,43)(H,38,46)(H,39,41)/t20-,21?,23-,24-,25-/m0/s1
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3[C@H]4[C@@H]3CN(C4)C(=O)[C@H](CO)O)F
InChI: InChI=1S/C20H24FN3O6/c1-10(26)22-5-12-6-24(20(29)30-12)11-2-3-13(16(21)4-11)18-14-7-23(8-15(14)18)19(28)17(27)9-25/h2-4,12,14-15,17-18,25,27H,5-9H2,1H3,(H,22,26)/t12-,14-,15+,17-,18?/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@H]2[C@H](C(=O)N2CC(C(=O)OC)[Se]C3=CC=CC=C3)OCC4=CC=CC=C4)C
InChI: InChI=1S/C25H29NO6Se/c1-25(2)31-16-19(32-25)21-22(30-15-17-10-6-4-7-11-17)23(27)26(21)14-20(24(28)29-3)33-18-12-8-5-9-13-18/h4-13,19-22H,14-16H2,1-3H3/t19-,20?,21+,22-/m1/s1
SMILES: C[C@H](CSC1=NC2=CC=CC=C2S1)NC3=C4C(=NC(=N3)Cl)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C20H21ClN6O4S2/c1-9(7-32-20-24-10-4-2-3-5-12(10)33-20)23-16-13-17(26-19(21)25-16)27(8-22-13)18-15(30)14(29)11(6-28)31-18/h2-5,8-9,11,14-15,18,28-30H,6-7H2,1H3,(H,23,25,26)/t9-,11-,14-,15-,18-/m1/s1
SMILES: CCC1(CCC(C1)N[C@@H]2CCOC[C@H]2OC)C(=O)N3CCN(CC3)C4=NC=CC(=N4)C(F)(F)F
InChI: InChI=1S/C23H34F3N5O3/c1-3-22(7-4-16(14-22)28-17-6-13-34-15-18(17)33-2)20(32)30-9-11-31(12-10-30)21-27-8-5-19(29-21)23(24,25)26/h5,8,16-18,28H,3-4,6-7,9-15H2,1-2H3/t16?,17-,18-,22?/m1/s1
SMILES: CCOC(=O)CNC(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)[C@@H]3O[C@@H]([C@@H]([C@@H](O3)C4=CC=C(C=C4)CO)C)CN(C)C[C@H](C5=CC(=CC=C5)O)O
InChI: InChI=1S/C40H47N3O8/c1-4-49-37(47)22-42-40(48)41-21-32-8-5-6-11-34(32)28-16-18-30(19-17-28)39-50-36(24-43(3)23-35(46)31-9-7-10-33(45)20-31)26(2)38(51-39)29-14-12-27(25-44)13-15-29/h5-20,26,35-36,38-39,44-46H,4,21-25H2,1-3H3,(H2,41,42,48)/t26-,35+,36+,38+,39+/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC(=CC=C4)Br)C5=CC=CC6=CC=CC=C65
InChI: InChI=1S/C27H19BrN2O3/c28-18-10-7-13-20(16-18)29-26(31)23-24(22-15-6-9-17-8-4-5-14-21(17)22)30(33-25(23)27(29)32)19-11-2-1-3-12-19/h1-16,23-25H/t23-,24+,25+/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=C(C=C6)OC(F)(F)F)C[C@H](COCC7=CC=CC=C7)O)O)C(=C5)C(=O)C8=CC(=CC=C8)C(F)(F)F)O)C
InChI: InChI=1S/C48H53F6NO6/c1-42-18-15-35(56)24-44(42)21-22-46(38(25-44)41(58)33-9-6-10-34(23-33)47(49,50)51)39(42)16-19-43(2)40(46)17-20-45(43,59)30-55(26-31-11-13-37(14-12-31)61-48(52,53)54)27-36(57)29-60-28-32-7-4-3-5-8-32/h3-14,21-23,25,35-36,39-40,56-57,59H,15-20,24,26-30H2,1-2H3/t35?,36-,39-,40-,42-,43+,44+,45-,46-/m1/s1
SMILES: C[C@H](C[C@H]1[C@@H](C[C@]2([C@H](O1)C[C@@H]([C@H](O2)C(C)O)OCC3=CC=C(C=C3)OC)C)O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C35H64O7Si2/c1-24(22-39-43(11,12)33(3,4)5)19-28-30(42-44(13,14)34(6,7)8)21-35(9)31(40-28)20-29(32(41-35)25(2)36)38-23-26-15-17-27(37-10)18-16-26/h15-18,24-25,28-32,36H,19-23H2,1-14H3/t24-,25?,28+,29+,30-,31-,32-,35+/m1/s1
SMILES: CC1(C=CC(=O)C23C1[C@@H]([C@@](C45C2CCC(C4)C(=C)C5=O)(OC3)O)O)C
InChI: InChI=1S/C20H24O5/c1-10-11-4-5-12-18-9-25-20(24,19(12,8-11)15(10)22)16(23)14(18)17(2,3)7-6-13(18)21/h6-7,11-12,14,16,23-24H,1,4-5,8-9H2,2-3H3/t11?,12?,14?,16-,18?,19?,20-/m0/s1
SMILES: CCCCCCCCCCCCCCCCOC[C@H](CCS[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)O)NC(=O)C)OC
InChI: InChI=1S/C36H61NO7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-41-26-30(40-3)23-25-45-36-32(37-28(2)38)33(39)34-31(43-36)27-42-35(44-34)29-21-18-17-19-22-29/h17-19,21-22,30-36,39H,4-16,20,23-27H2,1-3H3,(H,37,38)/t30-,31+,32+,33+,34+,35+,36-/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)N(C)C1=CC=CC=C1)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H22N2O5/c1-13(22-18(24)15-10-6-7-11-16(15)19(22)25)20(26)27-12-17(23)21(2)14-8-4-3-5-9-14/h3-9,13,15-16H,10-12H2,1-2H3/t13-,15-,16+/m0/s1
SMILES: C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)C(=O)N
InChI: InChI=1S/C14H22N4O10/c15-11(25)12-16-3-18(17-12)13-9(23)7(21)5(27-13)2-26-14-10(24)8(22)6(20)4(1-19)28-14/h3-10,13-14,19-24H,1-2H2,(H2,15,25)/t4-,5-,6+,7-,8+,9-,10-,13-,14-/m1/s1
SMILES: C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)C4(C)C)C)C
InChI: InChI=1S/C33H58O2Si/c1-21(2)36(22(3)4,23(5)6)35-20-24(7)26-13-14-27-25-12-15-29-31(8,9)30(34)17-19-33(29,11)28(25)16-18-32(26,27)10/h15,21-28H,12-14,16-20H2,1-11H3/t24-,25+,26-,27+,28+,32-,33-/m1/s1
SMILES: CCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(C)C(=O)C5CC5)OCC=C
InChI: InChI=1S/C37H53N3O8/c1-5-20-45-37-32(40(4)35(43)24-14-15-24)23-30(39-46-7-3)28-21-25(12-8-10-18-41)27(13-9-11-19-42)33(34(28)37)29-22-26(16-17-31(29)48-37)47-36(44)38-6-2/h5,16-17,21-22,24-25,27,32-34,41-42H,1,6-15,18-20,23H2,2-4H3,(H,38,44)/t25-,27+,32-,33+,34+,37+/m0/s1
SMILES: C1C2CC3CC1CC(C2)(C3)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
InChI: InChI=1S/C16H25NO6/c18-10-11(19)13(15(21)22)23-14(12(10)20)17-16-4-7-1-8(5-16)3-9(2-7)6-16/h7-14,17-20H,1-6H2,(H,21,22)/t7?,8?,9?,10-,11-,12+,13-,14+,16?/m0/s1
SMILES: C1[C@@H]2[C@@H](N2)C3=C(C=C4C(=C31)C(=O)C5=CC=CC=C5C4=O)OCC6=CC=CC=C6
InChI: InChI=1S/C24H17NO3/c26-23-14-8-4-5-9-15(14)24(27)20-16-10-18-22(25-18)21(16)19(11-17(20)23)28-12-13-6-2-1-3-7-13/h1-9,11,18,22,25H,10,12H2/t18-,22-/m1/s1
SMILES: CC(=C1[C@@H]2C=C[C@H]1[C@@H]3[C@@H]2C(=O)NC3=O)C4=CC=CC=C4
InChI: InChI=1S/C17H15NO2/c1-9(10-5-3-2-4-6-10)13-11-7-8-12(13)15-14(11)16(19)18-17(15)20/h2-8,11-12,14-15H,1H3,(H,18,19,20)/t11-,12+,14-,15-/m1/s1
SMILES: CC1(O[C@H]([C@@H](O1)COCC2=CC=CC=C2)CNCC3=CC=CC=C3)C
InChI: InChI=1S/C21H27NO3/c1-21(2)24-19(14-22-13-17-9-5-3-6-10-17)20(25-21)16-23-15-18-11-7-4-8-12-18/h3-12,19-20,22H,13-16H2,1-2H3/t19-,20-/m0/s1
SMILES: CCOC(=O)C12[C@H]3[C@H](C(=O)N(C3=O)C4=CC=C(C=C4)OC(=O)C)C(C=C1C)([C@H]5[C@@H]2C(=O)N(C5=O)C6=CC=C(C=C6)OC(=O)C)C
InChI: InChI=1S/C33H30N2O10/c1-6-43-31(42)33-16(2)15-32(5,23-25(33)29(40)34(27(23)38)19-7-11-21(12-8-19)44-17(3)36)24-26(33)30(41)35(28(24)39)20-9-13-22(14-10-20)45-18(4)37/h7-15,23-26H,6H2,1-5H3/t23-,24+,25+,26-,32?,33?
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)C2=C(N=C(S2)C3=CC=CC=C3)C
InChI: InChI=1S/C21H26N2O3S/c1-13-8-7-11-17(14(13)2)23-18(24)12-26-21(25)19-15(3)22-20(27-19)16-9-5-4-6-10-16/h4-6,9-10,13-14,17H,7-8,11-12H2,1-3H3,(H,23,24)/t13-,14-,17+/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)N(C)CC3=CSC=C3
InChI: InChI=1S/C19H25N3O5S/c1-13-5-3-4-7-19(13)17(25)22(18(26)20-19)10-16(24)27-11-15(23)21(2)9-14-6-8-28-12-14/h6,8,12-13H,3-5,7,9-11H2,1-2H3,(H,20,26)/t13-,19+/m0/s1
SMILES: C[C@@H]1[C@@H](C[C@]2([C@@H]1[C@@H]3[C@@H](C[C@H]([C@H]3[C@@H](O2)OC)O)/C(=C\CC=C(C)C)/C)OC)OC
InChI: InChI=1S/C23H38O5/c1-13(2)9-8-10-14(3)16-11-17(24)20-19(16)21-15(4)18(25-5)12-23(21,27-7)28-22(20)26-6/h9-10,15-22,24H,8,11-12H2,1-7H3/b14-10-/t15-,16+,17-,18-,19-,20-,21+,22-,23+/m1/s1
SMILES: C[C@@H]1[C@H]2[C@@H](C3C=CC2(C=C3)C(=O)N1C(=O)N[C@@H](C)C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C26H25ClN2O2/c1-16(18-6-4-3-5-7-18)28-25(31)29-17(2)23-22(19-8-10-21(27)11-9-19)20-12-14-26(23,15-13-20)24(29)30/h3-17,20,22-23H,1-2H3,(H,28,31)/t16-,17+,20?,22+,23-,26?/m0/s1
SMILES: C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(/C=C\I)O)C
InChI: InChI=1S/C21H27IO2/c1-19-8-5-15(23)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20,24)11-12-22/h3-4,11-13,16-18,24H,5-10H2,1-2H3/b12-11-/t16-,17+,18+,19+,20+,21-/m1/s1
SMILES: CCN(CC)C1=NC(=NC(=C1)N2CCN(CC2)CC(=O)[C@]3(CC[C@@H]4[C@@]3(C[C@H]([C@H]5[C@H]4CCC6=CC(=O)CC[C@]56C)O)C)O)N(CC)CC
InChI: InChI=1S/C37H58N6O4/c1-7-41(8-2)31-22-32(39-34(38-31)42(9-3)10-4)43-19-17-40(18-20-43)24-30(46)37(47)16-14-28-27-12-11-25-21-26(44)13-15-35(25,5)33(27)29(45)23-36(28,37)6/h21-22,27-29,33,45,47H,7-20,23-24H2,1-6H3/t27-,28-,29+,33+,35-,36-,37-/m0/s1
SMILES: CC(C)CCN1C2=CC(=C(C=C2C3=C1[C@@H](N4C(=O)[C@@H]5CCCN5C(=O)[C@@]4([C@@H]3O)O)CC(C)C)Br)OC
InChI: InChI=1S/C27H36BrN3O5/c1-14(2)8-10-29-19-13-21(36-5)17(28)12-16(19)22-23(29)20(11-15(3)4)31-25(33)18-7-6-9-30(18)26(34)27(31,35)24(22)32/h12-15,18,20,24,32,35H,6-11H2,1-5H3/t18-,20-,24+,27+/m0/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C18H14Cl2N2O2/c1-10-6-14(10)17-5-3-13(24-17)7-11(9-21)18(23)22-16-4-2-12(19)8-15(16)20/h2-5,7-8,10,14H,6H2,1H3,(H,22,23)/b11-7+/t10-,14-/m0/s1
SMILES: C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2[C@H](C[C@H](C3)C(=C)[C@@H]4O)O)C)CO
InChI: InChI=1S/C20H32O3/c1-12-13-9-14(22)16-19(3)7-4-6-18(2,11-21)15(19)5-8-20(16,10-13)17(12)23/h13-17,21-23H,1,4-11H2,2-3H3/t13-,14+,15-,16+,17+,18+,19-,20-/m1/s1
SMILES: C[C@H](CC=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3([C@H](C[C@@H](C5)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)N6N4C(=O)N(C6=O)C7=CC=CC=C7)C
InChI: InChI=1S/C43H67N3O5Si2/c1-29(22-26-47)32-19-20-33-40(32,8)23-21-34-41(9)35(51-53(12,13)39(5,6)7)27-31(50-52(10,11)38(2,3)4)28-42(41)24-25-43(33,34)46-37(49)44(36(48)45(42)46)30-17-15-14-16-18-30/h14-18,24-26,29,31-35H,19-23,27-28H2,1-13H3/t29-,31+,32-,33-,34-,35+,40-,41+,42-,43+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)N3C=C(N=N3)CCO)O
InChI: InChI=1S/C13H16N4O5/c1-6(19)10-8-4-9(11(13(21)22)17(8)12(10)20)16-5-7(2-3-18)14-15-16/h5-6,8,10,18-19H,2-4H2,1H3,(H,21,22)/t6-,8-,10-/m1/s1
SMILES: C1C[C@H]2[C@H](N(N=C2/C(=C/C3=CC=CO3)/C1)C(=O)C4=CC(=CC=C4)Cl)C5=CC=CO5
InChI: InChI=1S/C23H19ClN2O3/c24-17-7-1-6-16(13-17)23(27)26-22(20-10-4-12-29-20)19-9-2-5-15(21(19)25-26)14-18-8-3-11-28-18/h1,3-4,6-8,10-14,19,22H,2,5,9H2/b15-14+/t19-,22+/m1/s1
SMILES: COC1([C@]2(C[C@@H]([C@@]1(C(=O)[C@@H]2O)Cl)C3=CC=CC=C3)Cl)OC
InChI: InChI=1S/C15H16Cl2O4/c1-20-15(21-2)13(16)8-10(9-6-4-3-5-7-9)14(15,17)12(19)11(13)18/h3-7,10-11,18H,8H2,1-2H3/t10-,11+,13-,14+/m1/s1
SMILES: C1COCCN1CCOC2=CC=C(C=C2)C[C@@H]3[C@@H]([C@H]([C@H](N(C(=O)N3CC4=CC(=CC=C4)C5=CC=NN5)CC6=CC(=CC=C6)C7=CC=NN7)CC8=CC=C(C=C8)OCCN9CCOCC9)O)O
InChI: InChI=1S/C51H60N8O7/c60-49-47(33-37-7-11-43(12-8-37)65-29-23-56-19-25-63-26-20-56)58(35-39-3-1-5-41(31-39)45-15-17-52-54-45)51(62)59(36-40-4-2-6-42(32-40)46-16-18-53-55-46)48(50(49)61)34-38-9-13-44(14-10-38)66-30-24-57-21-27-64-28-22-57/h1-18,31-32,47-50,60-61H,19-30,33-36H2,(H,52,54)(H,53,55)/t47-,48-,49+,50+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H]([C@H](C3=C1N(C4=CC=CC=C43)COC)C#N)C(=O)N(C2=O)C
InChI: InChI=1S/C19H19N3O3/c1-10-14-16(19(24)21(2)18(14)23)12(8-20)15-11-6-4-5-7-13(11)22(9-25-3)17(10)15/h4-7,10,12,14,16H,9H2,1-3H3/t10-,12+,14-,16+/m1/s1
SMILES: C1C=C2[C@H](C[C@H]1C3=CC=CC=C3)[C@H](C(C(=C2C#N)N)(C#N)C#N)C4=CC=CC=C4
InChI: InChI=1S/C25H20N4/c26-14-22-20-12-11-19(17-7-3-1-4-8-17)13-21(20)23(18-9-5-2-6-10-18)25(15-27,16-28)24(22)29/h1-10,12,19,21,23H,11,13,29H2/t19-,21-,23+/m0/s1
SMILES: C(CCl)N(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O)N=O
InChI: InChI=1S/C9H16ClN3O7/c10-1-2-13(12-19)9(18)11-5-7(16)6(15)4(3-14)20-8(5)17/h4-8,14-17H,1-3H2,(H,11,18)/t4-,5-,6-,7-,8+/m1/s1
SMILES: CCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(C)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-])OCC=C
InChI: InChI=1S/C43H56N4O12/c1-4-23-55-43-37(46(3)42(51)57-30-17-15-29(16-18-30)47(52)53)27-35(45-59-38-14-8-11-24-54-38)33-25-28(12-6-9-21-48)32(13-7-10-22-49)39(40(33)43)34-26-31(19-20-36(34)58-43)56-41(50)44-5-2/h4,15-20,25-26,28,32,37-40,48-49H,1,5-14,21-24,27H2,2-3H3,(H,44,50)/t28-,32+,37-,38?,39+,40+,43+/m0/s1
SMILES: C[C@H](CCCC(CCC(=O)O)C(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC(CC4)O)C)O)O)C
InChI: InChI=1S/C29H48O7/c1-16(5-4-6-17(27(35)36)7-12-25(33)34)20-10-11-21-26-22(14-24(32)29(20,21)3)28(2)15-19(30)9-8-18(28)13-23(26)31/h16-24,26,30-32H,4-15H2,1-3H3,(H,33,34)(H,35,36)/t16-,17?,18+,19?,20-,21?,22?,23-,24+,26?,28+,29-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CSC2=NC=C(N2CC(C)C)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C22H30ClN3OS/c1-15(2)13-26-20(17-8-10-18(23)11-9-17)12-24-22(26)28-14-21(27)25-19-7-5-4-6-16(19)3/h8-12,15-16,19H,4-7,13-14H2,1-3H3,(H,25,27)/t16-,19-/m1/s1
SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@H]([C@@H]([C@H](O4)C)C)O.C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N
InChI: InChI=1S/C22H26O5.C9H13N3O3/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19;10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h8-12,18,24H,6-7H2,1-5H3;3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t11-,12-,18+;6-,8+/m10/s1
SMILES: CC1(O[C@H]([C@@H](O1)C(=O)OC)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C14H28O5Si/c1-13(2,3)20(7,8)17-9-10-11(12(15)16-6)19-14(4,5)18-10/h10-11H,9H2,1-8H3/t10-,11+/m0/s1
SMILES: CC1=CC=C(C=C1)[S@](=O)C2=C(SC=C2)C(=O)[C@@H]3[C@H]4C[C@@H]([C@H]3C5=CC=CC=C5)C=C4
InChI: InChI=1S/C25H22O2S2/c1-16-7-11-20(12-8-16)29(27)21-13-14-28-25(21)24(26)23-19-10-9-18(15-19)22(23)17-5-3-2-4-6-17/h2-14,18-19,22-23H,15H2,1H3/t18-,19+,22+,23+,29-/m0/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCCSC5=CC=CC=C5)CCCCO)CCCCO)OCC=C)N(C)C(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C46H58N2O8S/c1-4-26-54-46-42(48(3)45(51)53-32-33-16-8-6-9-17-33)31-40(47-55-5-2)38-29-34(18-12-14-24-49)37(21-13-15-25-50)43(44(38)46)39-30-35(22-23-41(39)56-46)52-27-28-57-36-19-10-7-11-20-36/h4,6-11,16-17,19-20,22-23,29-30,34,37,42-44,49-50H,1,5,12-15,18,21,24-28,31-32H2,2-3H3/t34-,37+,42-,43+,44+,46+/m0/s1
SMILES: CCC1=CC(=CC=C1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O
InChI: InChI=1S/C14H20O6/c1-2-8-4-3-5-9(6-8)19-14-13(18)12(17)11(16)10(7-15)20-14/h3-6,10-18H,2,7H2,1H3/t10-,11-,12+,13-,14-/m0/s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@@H]3C[C@@H](O[C@@H](O3)C4=CC=C(C=C4)CNC(=O)NC56CC7CC(C5)CC(C7)C6)C8=CC=C(C=C8)CO
InChI: InChI=1S/C44H62N4O5/c1-43(2,3)46-40(50)38-17-16-33-6-4-5-7-37(33)48(38)26-36-21-39(34-12-10-29(27-49)11-13-34)53-41(52-36)35-14-8-28(9-15-35)25-45-42(51)47-44-22-30-18-31(23-44)20-32(19-30)24-44/h8-15,30-33,36-39,41,49H,4-7,16-27H2,1-3H3,(H,46,50)(H2,45,47,51)/t30?,31?,32?,33-,36+,37-,38-,39-,41-,44?/m1/s1
SMILES: CC(C)(C)N1C[C@H](CC1C(=O)NC[C@H](C[C@@H](CC2=CC=C(C=C2)OCCO)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)OC5=CC=CC=C5
InChI: InChI=1S/C38H49N3O7/c1-38(2,3)41-24-31(48-30-10-5-4-6-11-30)22-33(41)37(46)39-23-28(43)20-27(19-25-13-15-29(16-14-25)47-18-17-42)36(45)40-35-32-12-8-7-9-26(32)21-34(35)44/h4-16,27-28,31,33-35,42-44H,17-24H2,1-3H3,(H,39,46)(H,40,45)/t27-,28+,31+,33?,34-,35+/m1/s1
SMILES: COC(=O)[C@@]12CC[C][C@@]1(CC(C2)(C(=O)OC)C(=O)OC)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H22O8S/c1-26-15(21)18(16(22)27-2)12-19(17(23)28-3)10-7-11-20(19,13-18)29(24,25)14-8-5-4-6-9-14/h4-6,8-9H,7,10,12-13H2,1-3H3/t19-,20-/m0/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC(=CC=C2)C(=O)O[C@@H]3CC(=C[C@@H]4[C@H]3OC5(O4)CC6=CC=CC=C6C5)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)C
InChI: InChI=1S/C41H47NO12/c1-39(2,3)53-33(45)16-14-29(22-43)42-36(46)28-18-30(34-31(19-28)52-41(54-34)20-26-10-6-7-11-27(26)21-41)50-37(47)25-12-8-9-24(17-25)13-15-32(44)51-35-38(48)49-23-40(35,4)5/h6-13,15,17,19,29-31,34-35,43H,14,16,18,20-23H2,1-5H3,(H,42,46)/t29-,30+,31+,34-,35-/m0/s1
SMILES: C1[C@@H]([C@@H]([C@@H](C2=NC=CN21)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C21H22N2O3/c24-18-13-23-12-11-22-21(23)20(26-15-17-9-5-2-6-10-17)19(18)25-14-16-7-3-1-4-8-16/h1-12,18-20,24H,13-15H2/t18-,19-,20-/m0/s1
SMILES: CCCCN[C@@H](CC1=CC=CC=C1)[C@@H]2[C@H](OC(O2)(C)C)[C@H](CC3=CC=CC=C3)N
InChI: InChI=1S/C25H36N2O2/c1-4-5-16-27-22(18-20-14-10-7-11-15-20)24-23(28-25(2,3)29-24)21(26)17-19-12-8-6-9-13-19/h6-15,21-24,27H,4-5,16-18,26H2,1-3H3/t21-,22-,23+,24+/m0/s1
SMILES: COC1=C2C3=C(CN(CC[C@]34C=C[C@@H](C[C@@H]4O2)O)C(=S)NCC=C)C=C1
InChI: InChI=1S/C20H24N2O3S/c1-3-9-21-19(26)22-10-8-20-7-6-14(23)11-16(20)25-18-15(24-2)5-4-13(12-22)17(18)20/h3-7,14,16,23H,1,8-12H2,2H3,(H,21,26)/t14-,16-,20-/m0/s1
SMILES: CC[C@]1([C@@H](CCC2=C1OC(=C(C2=O)C)C)OC(=O)[C@](C3=CC=CC=C3)(C(F)(F)F)OC)C
InChI: InChI=1S/C24H27F3O5/c1-6-22(4)18(13-12-17-19(28)14(2)15(3)31-20(17)22)32-21(29)23(30-5,24(25,26)27)16-10-8-7-9-11-16/h7-11,18H,6,12-13H2,1-5H3/t18-,22+,23-/m1/s1
SMILES: CC1=CC=C(C=C1)C2=NC3=C(C(=C2)C4=CC=CO4)C(=O)N(C(=S)N3[C@H]5[C@H]([C@@H]([C@H](O5)COC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)C9=CC=CC=C9OC
InChI: InChI=1S/C51H39N3O10S/c1-31-24-26-32(27-25-31)37-29-36(39-23-14-28-60-39)42-45(52-37)54(51(65)53(46(42)55)38-21-12-13-22-40(38)59-2)47-44(64-50(58)35-19-10-5-11-20-35)43(63-49(57)34-17-8-4-9-18-34)41(62-47)30-61-48(56)33-15-6-3-7-16-33/h3-29,41,43-44,47H,30H2,1-2H3/t41-,43-,44+,47-/m1/s1
SMILES: C1=CC=C2C3[C@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)NC(=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C25H17BrN2O3/c26-14-11-9-13(10-12-14)23(29)27-28-24(30)21-19-15-5-1-2-6-16(15)20(22(21)25(28)31)18-8-4-3-7-17(18)19/h1-12,19-22H,(H,27,29)/t19?,20?,21-,22-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N([C@@H]2[C@H](C=C[C@@H]3[C@H]2OC(O3)(C)C)C4=CC5=C(C(=C4C(=O)N(C)C)O[Si](C)(C)C(C)(C)C)OCO5)C(=O)OC(C)(C)C
InChI: InChI=1S/C37H52N2O10SSi/c1-22-14-16-23(17-15-22)50(42,43)39(34(41)48-35(2,3)4)29-24(18-19-26-30(29)47-37(8,9)46-26)25-20-27-31(45-21-44-27)32(28(25)33(40)38(10)11)49-51(12,13)36(5,6)7/h14-20,24,26,29-30H,21H2,1-13H3/t24-,26-,29-,30-/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC=CC=C5OCCO)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)O)Cl
InChI: InChI=1S/C30H26Cl2N2O9/c1-33-27(41)29(31)13-19-15(23(30(29,32)28(33)42)17-4-2-3-5-21(17)43-11-10-35)8-9-18-22(19)25(38)34(24(18)37)14-6-7-16(26(39)40)20(36)12-14/h2-8,12,18-19,22-23,35-36H,9-11,13H2,1H3,(H,39,40)/t18-,19+,22-,23+,29+,30-/m0/s1