EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-]
InChI: InChI=1S/C17H22N2O6S/c1-3-25-17(24)11-8(2)12(13(18)20)26-15(11)19-14(21)9-6-4-5-7-10(9)16(22)23/h9-10H,3-7H2,1-2H3,(H2,18,20)(H,19,21)(H,22,23)/p-1/t9-,10+/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]3[C@@H]2OC(O3)(C)C)C(=O)OC4=CC=CC=C4OC)C
InChI: InChI=1S/C19H24O8/c1-18(2)24-12-13(25-18)15-17(27-19(3,4)26-15)23-14(12)16(20)22-11-9-7-6-8-10(11)21-5/h6-9,12-15,17H,1-5H3/t12-,13+,14-,15-,17+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CC(=O)NC4=CC=CC=C4
InChI: InChI=1S/C17H18N2O3/c20-13(18-12-4-2-1-3-5-12)9-19-16(21)14-10-6-7-11(8-10)15(14)17(19)22/h1-5,10-11,14-15H,6-9H2,(H,18,20)/t10-,11+,14+,15-
SMILES: CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CC[C@@H]4CCCC[C@H]4C3)C
InChI: InChI=1S/C19H25N3O2S/c1-12-13(2)25-18-17(12)19(24)22(11-20-18)10-16(23)21-8-7-14-5-3-4-6-15(14)9-21/h11,14-15H,3-10H2,1-2H3/t14-,15-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)C
InChI: InChI=1S/C19H27NO4S/c1-12-5-4-6-15(14(12)3)20-18(22)11-24-19(23)10-8-16(21)17-9-7-13(2)25-17/h7,9,12,14-15H,4-6,8,10-11H2,1-3H3,(H,20,22)/t12-,14-,15-/m0/s1
SMILES: CCC(C)CC[C@H](C)C1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C
InChI: InChI=1S/C32H54O2/c1-10-21(2)11-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h21-22,24,27-28H,10-20H2,1-9H3/t21?,22-,24?,27?,28-,30+,31+,32-/m0/s1
SMILES: C[C@H](C1=CC=C(C=C1)[N+](=O)[O-])NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)N
InChI: InChI=1S/C18H21N7O5/c1-9(10-2-4-11(5-3-10)25(28)29)23-16-14-17(21-7-20-16)24(8-22-14)18-13(19)15(27)12(6-26)30-18/h2-5,7-9,12-13,15,18,26-27H,6,19H2,1H3,(H,20,21,23)/t9-,12-,13-,15-,18-/m1/s1
SMILES: CCCC[C@H](C(=O)OC)N1C(=O)[C@@H]2[C@@H](C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI: InChI=1S/C25H25NO4/c1-3-4-13-18(25(29)30-2)26-23(27)21-19-14-9-5-6-10-15(14)20(22(21)24(26)28)17-12-8-7-11-16(17)19/h5-12,18-22H,3-4,13H2,1-2H3/t18-,19?,20?,21+,22+/m1/s1
SMILES: C[C@@H]1[C@H]2C3=C(C[C@@H](N1CC4CC4)C5=C2C=C(C=C5)OC(=O)C)C=CC(=C3)OC(=O)C
InChI: InChI=1S/C25H27NO4/c1-14-25-22-11-19(29-15(2)27)7-6-18(22)10-24(26(14)13-17-4-5-17)21-9-8-20(12-23(21)25)30-16(3)28/h6-9,11-12,14,17,24-25H,4-5,10,13H2,1-3H3/t14-,24-,25+/m1/s1
SMILES: C1[C@@H]2[C@H](CN(C1(C3=CC=CC=C3)C4=CC=CC=C4)O2)C5=CC=CC=C5
InChI: InChI=1S/C23H21NO/c1-4-10-18(11-5-1)21-17-24-23(16-22(21)25-24,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2/t21-,22-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H](C[C@H]([C@@H](O1)OC(=O)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C24H28O7/c1-17(25)27-16-23-21(28-14-19-9-5-3-6-10-19)13-22(24(31-23)30-18(2)26)29-15-20-11-7-4-8-12-20/h3-12,21-24H,13-16H2,1-2H3/t21-,22+,23+,24+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OCC(C)(C)C[C@H]1CC(=C2[C@]3([C@@H]1N(CC3)CC4=CC=CC=C4)C5=CC=CC=C5N2)C(=O)OC
InChI: InChI=1S/C34H48N2O3Si/c1-32(2,3)40(7,8)39-23-33(4,5)21-25-20-26(31(37)38-6)29-34(27-16-12-13-17-28(27)35-29)18-19-36(30(25)34)22-24-14-10-9-11-15-24/h9-17,25,30,35H,18-23H2,1-8H3/t25-,30-,34-/m1/s1
SMILES: CC(=O)OC1[C@@H]([C@H]([C@@H](S1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C28H28O6S/c1-20(29)33-28-26(34-27(30)23-15-9-4-10-16-23)25(32-18-22-13-7-3-8-14-22)24(35-28)19-31-17-21-11-5-2-6-12-21/h2-16,24-26,28H,17-19H2,1H3/t24-,25-,26+,28?/m0/s1
SMILES: CCOC(=O)N(C[C@@]1(CC[C@@H]2[C@@]1(CCC=C(CC[C@@H](CC3=CC(=C2C=C3)C(=O)CC4=C(C=CC=C4Cl)F)O)C)C)O)CC56CC7CC(C5)CC(C7)C6
InChI: InChI=1S/C44H57ClFNO5/c1-4-52-41(50)47(26-43-23-30-17-31(24-43)19-32(18-30)25-43)27-44(51)16-14-37-34-13-11-29(20-33(48)12-10-28(2)7-6-15-42(37,44)3)21-35(34)40(49)22-36-38(45)8-5-9-39(36)46/h5,7-9,11,13,21,30-33,37,48,51H,4,6,10,12,14-20,22-27H2,1-3H3/t30?,31?,32?,33-,37-,42-,43?,44+/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)[C@@H](C3=NC4=CC=CC=C4N3C=C)O)C(=O)O)C
InChI: InChI=1S/C18H19N3O4S/c1-4-20-10-8-6-5-7-9(10)19-14(20)12(22)11-15(23)21-13(17(24)25)18(2,3)26-16(11)21/h4-8,11-13,16,22H,1H2,2-3H3,(H,24,25)/t11-,12+,13+,16-/m1/s1
SMILES: CC(=O)N[C@@H]1C=C[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)SC
InChI: InChI=1S/C14H27NO2SSi/c1-10(16)15-11-8-9-12(18-5)13(11)17-19(6,7)14(2,3)4/h8-9,11-13H,1-7H3,(H,15,16)/t11-,12-,13-/m1/s1
SMILES: C1CC2=C(C=CC(=C2)NCCO[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CN)O)O)N)N)N)O)NC1
InChI: InChI=1S/C23H40N6O6/c24-10-16-19(31)20(32)17(27)23(34-16)35-21-14(26)9-13(25)18(30)22(21)33-7-6-28-12-3-4-15-11(8-12)2-1-5-29-15/h3-4,8,13-14,16-23,28-32H,1-2,5-7,9-10,24-27H2/t13-,14+,16-,17-,18+,19-,20-,21-,22-,23-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI: InChI=1S/C16H19ClN2O5/c1-10-4-2-3-5-13(10)18-15(20)9-24-16(21)11-6-7-12(17)14(8-11)19(22)23/h6-8,10,13H,2-5,9H2,1H3,(H,18,20)/t10-,13+/m1/s1
SMILES: CC(C)(C)[Si](C(C)(C)C)(O[C@]1\2CCC[C@H]1CC/C2=C\C3=CC=CC=C3)I
InChI: InChI=1S/C23H35IOSi/c1-21(2,3)26(24,22(4,5)6)25-23-16-10-13-19(23)14-15-20(23)17-18-11-8-7-9-12-18/h7-9,11-12,17,19H,10,13-16H2,1-6H3/b20-17+/t19-,23+/m0/s1
SMILES: CC(C)(C)[C@H]1CC[C@@H]([C@@H]1C(=O)OC)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI: InChI=1S/C25H33NO2/c1-25(2,3)21-15-16-22(23(21)24(27)28-4)26(17-19-11-7-5-8-12-19)18-20-13-9-6-10-14-20/h5-14,21-23H,15-18H2,1-4H3/t21-,22-,23+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C24H26N4O3/c1-17-10-8-9-15-20(17)25-21(29)16-31-24(30)22-26-23(18-11-4-2-5-12-18)28(27-22)19-13-6-3-7-14-19/h2-7,11-14,17,20H,8-10,15-16H2,1H3,(H,25,29)/t17-,20+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)OC(=O)N/N=C/C4=CC=CO4
InChI: InChI=1S/C16H17N7O5/c17-14-13-15(19-7-18-14)23(8-20-13)12-4-10(11(6-24)27-12)28-16(25)22-21-5-9-2-1-3-26-9/h1-3,5,7-8,10-12,24H,4,6H2,(H,22,25)(H2,17,18,19)/b21-5+/t10-,11+,12+/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)SC5=CC=CC=C5)CO
InChI: InChI=1S/C33H30O7S/c34-21-27-28(37-22-23-13-5-1-6-14-23)29(39-31(35)24-15-7-2-8-16-24)30(40-32(36)25-17-9-3-10-18-25)33(38-27)41-26-19-11-4-12-20-26/h1-20,27-30,33-34H,21-22H2/t27-,28+,29+,30-,33+/m1/s1
SMILES: C[C@]12CCC[C@@]3([C@H]1C[C@H]4[C@@H](C2)OC(=O)[C@@H]4CNCCC5=CC=C(C=C5)OC)CO3
InChI: InChI=1S/C24H33NO4/c1-23-9-3-10-24(15-28-24)21(23)12-18-19(22(26)29-20(18)13-23)14-25-11-8-16-4-6-17(27-2)7-5-16/h4-7,18-21,25H,3,8-15H2,1-2H3/t18-,19-,20-,21+,23-,24+/m1/s1
SMILES: C1[C@H]([C@H](C(=O)N1S(=O)(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C23H19NO4S/c25-22(18-12-6-2-7-13-18)21-20(17-10-4-1-5-11-17)16-24(23(21)26)29(27,28)19-14-8-3-9-15-19/h1-15,20-21H,16H2/t20-,21-/m0/s1
SMILES: CC1=CC[C@H]2C(=O)[C@@H]3C(=CC[C@@H]([C@]3(CC(=O)[C@@H]1C2(C)C)C)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChI: InChI=1S/C27H42O5Si/c1-16-11-13-18-23(29)22-17(24(30)31-8)12-14-20(32-33(9,10)25(2,3)4)27(22,7)15-19(28)21(16)26(18,5)6/h11-12,18,20-22H,13-15H2,1-10H3/t18-,20-,21+,22-,27+/m0/s1
SMILES: C[C@H]1CCCC(=O)OC[C@@H](C(=O)N[C@@H](C(=O)OC[C@@H]1OC)CC2=CC=CC=C2)C
InChI: InChI=1S/C22H31NO6/c1-15-8-7-11-20(24)28-13-16(2)21(25)23-18(12-17-9-5-4-6-10-17)22(26)29-14-19(15)27-3/h4-6,9-10,15-16,18-19H,7-8,11-14H2,1-3H3,(H,23,25)/t15-,16-,18+,19-/m0/s1
SMILES: C[C@@]1(CC[C@@H](C[C@@H]1/C=C/C2=CN=CC=C2)O)C3CC[C@@]4(C([C@H]3CO)CCC4=C)C
InChI: InChI=1S/C26H37NO2/c1-18-6-9-23-22(17-28)24(11-13-25(18,23)2)26(3)12-10-21(29)15-20(26)8-7-19-5-4-14-27-16-19/h4-5,7-8,14,16,20-24,28-29H,1,6,9-13,15,17H2,2-3H3/b8-7+/t20-,21-,22+,23?,24?,25-,26-/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@H]([C@@H]1O[C@@H]3C[C@@H](C(=C=[N-])[N+](=O)O3)C4=CC=C(C=C4)Cl)C2(C)C
InChI: InChI=1S/C21H25ClN2O3/c1-12-4-9-16-19(21(16,2)3)20(12)26-18-10-15(17(11-23)24(25)27-18)13-5-7-14(22)8-6-13/h5-8,12,15-16,18-20H,4,9-10H2,1-3H3/t12-,15+,16+,18-,19+,20+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H](C(=O)O)N)O)O)O
InChI: InChI=1S/C9H17NO6/c1-3-6(11)8(13)7(12)5(16-3)2-4(10)9(14)15/h3-8,11-13H,2,10H2,1H3,(H,14,15)/t3-,4-,5-,6+,7+,8+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)F
InChI: InChI=1S/C18H23FN4OS/c1-12-5-3-4-6-15(12)20-16(24)11-25-18-22-21-17(23(18)2)13-7-9-14(19)10-8-13/h7-10,12,15H,3-6,11H2,1-2H3,(H,20,24)/t12-,15+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CCC4=CC5=C(C[C@]34C)C=NN5S(=O)(=O)C6=CC=C(C=C6)C(=O)O)C
InChI: InChI=1S/C35H48N2O4S/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-11-26-19-32-25(20-35(26,5)31(28)17-18-34(29,30)4)21-36-37(32)42(40,41)27-12-9-24(10-13-27)33(38)39/h9-10,12-13,19,21-23,28-31H,6-8,11,14-18,20H2,1-5H3,(H,38,39)/t23-,28?,29-,30?,31?,34-,35+/m1/s1
SMILES: CC1[C@@H]2[C@H](C[C@]3([C@@H](O3)[C@@H]([C@H](C4=C[C@H]2OC4=O)SCC(C)C)O)C)OC1=O
InChI: InChI=1S/C19H26O6S/c1-8(2)7-26-15-10-5-11(23-18(10)22)13-9(3)17(21)24-12(13)6-19(4)16(25-19)14(15)20/h5,8-9,11-16,20H,6-7H2,1-4H3/t9?,11-,12+,13+,14-,15+,16+,19+/m1/s1
SMILES: CN([C@H](CC1=CC=CC=C1)C(=O)NCCO)C(=O)[C@]23C[C@@H]4[C@H]5[C@@H]([C@H]2ON([C@H]3C(=O)O4)CC6=CC(=CC=C6)C=CC(=O)OCC(F)(F)F)OCO5
InChI: InChI=1S/C34H36F3N3O10/c1-39(23(30(43)38-12-13-41)15-20-6-3-2-4-7-20)32(45)33-16-24-26-27(48-19-47-26)29(33)50-40(28(33)31(44)49-24)17-22-9-5-8-21(14-22)10-11-25(42)46-18-34(35,36)37/h2-11,14,23-24,26-29,41H,12-13,15-19H2,1H3,(H,38,43)/t23-,24-,26+,27+,28+,29-,33+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)NC3=NC4=CC=CC=C4S3
InChI: InChI=1S/C17H17N3O3S/c21-14(19-17-18-12-7-3-4-8-13(12)24-17)9-20-15(22)10-5-1-2-6-11(10)16(20)23/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,18,19,21)/t10-,11+
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]2[C@H]3[C@H]4[C@@H]([C@@H]([C@H]2SC5=CC=CC=N5)O3)OC(O4)(C)C)C(C)C
InChI: InChI=1S/C25H35NO5S/c1-13(2)15-10-9-14(3)12-16(15)28-24(27)18-19-20-21(31-25(4,5)30-20)22(29-19)23(18)32-17-8-6-7-11-26-17/h6-8,11,13-16,18-23H,9-10,12H2,1-5H3/t14-,15+,16-,18+,19+,20+,21+,22+,23+/m1/s1
SMILES: CCCOC1=C(C=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)C)ON2C5=CC=CC=C5)OCC
InChI: InChI=1S/C30H30N2O6/c1-4-17-37-24-16-13-21(18-25(24)36-5-2)27-26-28(38-32(27)23-9-7-6-8-10-23)30(35)31(29(26)34)22-14-11-20(12-15-22)19(3)33/h6-16,18,26-28H,4-5,17H2,1-3H3/t26-,27-,28-/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H](CC(=O)O2)[C@H](C(=O)[C@@H](C[C@@]3([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC/C(=N/OCC4=CC(=CC=C4)C#N)/CO3)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)C)C)C)C
InChI: InChI=1S/C42H61N3O11/c1-11-33-42(8)31(17-34(46)56-42)25(4)35(47)23(2)18-41(7)38(55-40-36(48)32(45(9)10)15-24(3)53-40)26(5)37(27(6)39(49)54-33)50-21-30(22-51-41)44-52-20-29-14-12-13-28(16-29)19-43/h12-14,16,23-27,31-33,36-38,40,48H,11,15,17-18,20-22H2,1-10H3/b44-30-/t23-,24-,25-,26+,27-,31+,32+,33-,36-,37+,38-,40+,41-,42+/m1/s1
SMILES: C1CN2[C@@H]([C@@H]3[C@H](N2C1)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)F
InChI: InChI=1S/C20H17FN4O4/c21-13-7-5-12(6-8-13)17-16-18(23-10-2-9-22(17)23)20(27)24(19(16)26)14-3-1-4-15(11-14)25(28)29/h1,3-8,11,16-18H,2,9-10H2/t16-,17-,18+/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCC2CC2)C3=CN(C4=CC=CC=C43)C(=O)C)CCCO
InChI: InChI=1S/C25H32N2O5/c1-3-31-25-19(8-6-12-28)20(13-23(32-25)24(30)26-14-17-10-11-17)21-15-27(16(2)29)22-9-5-4-7-18(21)22/h4-5,7,9,13,15,17,19-20,25,28H,3,6,8,10-12,14H2,1-2H3,(H,26,30)/t19-,20+,25-/m0/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)Cl)C6=C(C=CC=C6OC)O
InChI: InChI=1S/C30H24ClNO6/c1-14-12-22(34)20-13-19-17(25(26(20)28(14)35)27-21(33)4-3-5-23(27)38-2)10-11-18-24(19)30(37)32(29(18)36)16-8-6-15(31)7-9-16/h3-10,12,18-19,24-25,33H,11,13H2,1-2H3/t18-,19+,24-,25-/m0/s1
SMILES: C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@H]([C@H](N2[C@H]([C@@]13C4=C(C=CC(=C4)C#CC5(CCCCCC5)O)N(C3=O)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])C7=CC=C(C=C7)O)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C53H48N4O10/c1-2-31-54-48(59)43-45-49(60)67-46(37-15-9-6-10-16-37)44(36-13-7-5-8-14-36)56(45)47(38-20-24-40(58)25-21-38)53(43)41-32-34(27-30-52(63)28-11-3-4-12-29-52)19-26-42(41)55(50(53)61)51(62)66-33-35-17-22-39(23-18-35)57(64)65/h2,5-10,13-26,32,43-47,58,63H,1,3-4,11-12,28-29,31,33H2,(H,54,59)/t43-,44-,45-,46+,47+,53-/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NCCC3=CC=C(C=C3)C(C)C
InChI: InChI=1S/C22H31N3O3/c1-15(2)18-9-7-17(8-10-18)11-13-23-19(26)14-25-20(27)22(24-21(25)28)12-5-4-6-16(22)3/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,23,26)(H,24,28)/t16-,22+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1N=C2C=C(OC3=C2C=C(C=C3)OC)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C25H29NO4/c1-16-7-5-6-8-20(16)26-21-15-24(17-9-11-23(28-3)25(13-17)29-4)30-22-12-10-18(27-2)14-19(21)22/h9-16,20H,5-8H2,1-4H3/t16-,20-/m1/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)C3=NN4C(=CC(=NC4=N3)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C25H19N5O2/c31-22-18-13-7-8-14-19(18)23(32)29(22)25-27-24-26-20(16-9-3-1-4-10-16)15-21(30(24)28-25)17-11-5-2-6-12-17/h1-12,15,18-19H,13-14H2/t18-,19-/m1/s1
SMILES: CC(=O)OCOC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CSC7=CN=NS7
InChI: InChI=1S/C38H33N7O7S4/c1-23(46)51-22-52-36(49)32-24(19-53-29-18-39-44-56-29)20-54-35-31(34(48)45(32)35)41-33(47)30(43-50-2)28-21-55-37(40-28)42-38(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-18,21,31,35H,19-20,22H2,1-2H3,(H,40,42)(H,41,47)/b43-30-/t31-,35-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H](/C=C\C=O)[C@@H]3C=C[C@H](C[C@H]3OCOC)COC
InChI: InChI=1S/C30H40O5Si/c1-30(2,3)36(25-13-8-6-9-14-25,26-15-10-7-11-16-26)35-28(17-12-20-31)27-19-18-24(22-32-4)21-29(27)34-23-33-5/h6-20,24,27-29H,21-23H2,1-5H3/b17-12-/t24-,27+,28-,29-/m1/s1
SMILES: C1CO[C@H]([C@H](N1)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C19H17F6NO2/c20-18(21,22)14-8-12(9-15(10-14)19(23,24)25)11-28-17-16(26-6-7-27-17)13-4-2-1-3-5-13/h1-5,8-10,16-17,26H,6-7,11H2/t16-,17+/m1/s1
SMILES: C1[C@@H]2C[C@@H]([C@H]1C=C2)N3C(=O)NN=C3SCC4=CC=C(C=C4)Cl
InChI: InChI=1S/C16H16ClN3OS/c17-13-5-2-10(3-6-13)9-22-16-19-18-15(21)20(16)14-8-11-1-4-12(14)7-11/h1-6,11-12,14H,7-9H2,(H,18,21)/t11-,12+,14+/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CSC(=N3)N)NC(=O)C4=CC(=O)C(=CN4O)OCC5=CC=CC=C5)SC1)C(=O)O
InChI: InChI=1S/C28H26N6O10S2/c1-13(35)43-10-15-11-45-26-21(25(39)34(26)22(15)27(40)41)32-24(38)20(16-12-46-28(29)30-16)31-23(37)17-7-18(36)19(8-33(17)42)44-9-14-5-3-2-4-6-14/h2-8,12,20-21,26,42H,9-11H2,1H3,(H2,29,30)(H,31,37)(H,32,38)(H,40,41)/t20?,21-,26-/m1/s1
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)OC[C@@H]3[C@H]([C@@H]([C@H](C(O3)O)O)O)O
InChI: InChI=1S/C20H28N2O9/c21-12(8-10-3-5-11(23)6-4-10)18(27)22-7-1-2-13(22)19(28)30-9-14-15(24)16(25)17(26)20(29)31-14/h3-6,12-17,20,23-26,29H,1-2,7-9,21H2/t12-,13-,14+,15+,16-,17+,20?/m0/s1
SMILES: C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C
InChI: InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1
SMILES: CCSC1CN2C[C@H]([C@H]3C[C@@H]2[C@]14[C@@H](C3)N(C5=CC=CC=C45)C(=O)C)[C@H](C)OC(=O)C
InChI: InChI=1S/C24H32N2O3S/c1-5-30-23-13-25-12-18(14(2)29-16(4)28)17-10-21(25)24(23)19-8-6-7-9-20(19)26(15(3)27)22(24)11-17/h6-9,14,17-18,21-23H,5,10-13H2,1-4H3/t14-,17-,18-,21+,22+,23?,24+/m0/s1
SMILES: COC(=O)[C@@H]1C[C@@H]2C=CC(=O)C[C@H]2N1C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C18H19NO5/c1-23-17(21)16-9-13-7-8-14(20)10-15(13)19(16)18(22)24-11-12-5-3-2-4-6-12/h2-8,13,15-16H,9-11H2,1H3/t13-,15+,16-/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=C/C(=N\OCC(=O)NCCC5=C(NC6=C5C=C(C=C6)OC)C(=O)O)/C=C[C@]34C
InChI: InChI=1S/C34H43N3O6/c1-32-13-9-21(17-20(32)5-7-24-26(32)10-14-33(2)27(24)11-15-34(33,3)41)37-43-19-29(38)35-16-12-23-25-18-22(42-4)6-8-28(25)36-30(23)31(39)40/h6,8-9,13,17-18,24,26-27,36,41H,5,7,10-12,14-16,19H2,1-4H3,(H,35,38)(H,39,40)/b37-21-/t24-,26-,27+,32+,33-,34+/m1/s1
SMILES: C[C@@]1(CC[C@H]2C(=CC[C@@H]3[C@@]2(CCC[C@]3(C)CO)C)C1)C=C
InChI: InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,16-17,21H,1,6,8-14H2,2-4H3/t16-,17-,18-,19+,20+/m0/s1
SMILES: CC(C)CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(C=CC(=O)N4)C)C
InChI: InChI=1S/C23H35NO2/c1-14(2)13-19(25)18-7-6-16-15-5-8-20-23(4,12-10-21(26)24-20)17(15)9-11-22(16,18)3/h10,12,14-18,20H,5-9,11,13H2,1-4H3,(H,24,26)/t15-,16-,17-,18+,20?,22-,23+/m0/s1
SMILES: CCCCNC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)C3=C(C=C(C=C3)F)F)OC(O2)(C)C
InChI: InChI=1S/C19H24F2N2O4/c1-4-5-8-22-17(24)15-16-14(26-19(2,3)27-16)10-23(15)18(25)12-7-6-11(20)9-13(12)21/h6-7,9,14-16H,4-5,8,10H2,1-3H3,(H,22,24)/t14-,15-,16-/m0/s1
SMILES: C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C(=O)C=C(C3=O)OC)O)CCC[C@]24CO4)C
InChI: InChI=1S/C22H30O5/c1-13-7-9-21(3)17(6-5-8-22(21)12-27-22)20(13,2)11-14-18(24)15(23)10-16(26-4)19(14)25/h10,13,17,24H,5-9,11-12H2,1-4H3/t13-,17-,20+,21-,22-/m0/s1
SMILES: CCOC1=CC=CC=C1N2C(=O)[C@H]3[C@H](C2=O)C45CCCCC4=CC3[C@@H]6[C@@H]5C(=O)N(C6=O)C7=CC=CC=C7OCC
InChI: InChI=1S/C32H32N2O6/c1-3-39-22-14-7-5-12-20(22)33-28(35)24-19-17-18-11-9-10-16-32(18,26(24)30(33)37)27-25(19)29(36)34(31(27)38)21-13-6-8-15-23(21)40-4-2/h5-8,12-15,17,19,24-27H,3-4,9-11,16H2,1-2H3/t19?,24-,25-,26-,27-,32?/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C(=O)N6C[C@H]7C[C@@H](C6)C8=CC=CC(=O)N8C7)C)C)C)C
InChI: InChI=1S/C43H60N2O5/c1-26(46)50-34-13-14-41(6)33(38(34,2)3)12-15-43(8)36(41)32(47)21-29-30-22-40(5,17-16-39(30,4)18-19-42(29,43)7)37(49)44-23-27-20-28(25-44)31-10-9-11-35(48)45(31)24-27/h9-11,21,27-28,30,33-34,36H,12-20,22-25H2,1-8H3/t27-,28+,30+,33+,34+,36-,39-,40?,41+,42-,43-/m1/s1
SMILES: CC(=O)OC1[C@@H]([C@@H]([C@@H](C2=CC=CC=C12)C3=CC=CC=C3)C(=O)OC)C(=O)OC
InChI: InChI=1S/C22H22O6/c1-13(23)28-20-16-12-8-7-11-15(16)17(14-9-5-4-6-10-14)18(21(24)26-2)19(20)22(25)27-3/h4-12,17-20H,1-3H3/t17-,18-,19-,20?/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)[NH2+]C[C@@H](COC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)O
InChI: InChI=1S/C24H31F2NO2/c1-16-4-3-5-23(17(16)2)27-14-22(28)15-29-24(18-6-10-20(25)11-7-18)19-8-12-21(26)13-9-19/h6-13,16-17,22-24,27-28H,3-5,14-15H2,1-2H3/p+1/t16-,17+,22-,23-/m0/s1
SMILES: C1C[C@@H]2C=C[C@H]1[C@H]([C@@H]2S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C14H15NO4S/c16-15(17)13-10-6-8-11(9-7-10)14(13)20(18,19)12-4-2-1-3-5-12/h1-6,8,10-11,13-14H,7,9H2/t10-,11+,13-,14-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC[C@H]2[C@H](OC(O2)(C)C)[C@H](CO)[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C25H44O6SSi/c1-17(2)33(18(3)4,19(5)6)23(16-26)24-22(30-25(8,9)31-24)14-15-29-32(27,28)21-12-10-20(7)11-13-21/h10-13,17-19,22-24,26H,14-16H2,1-9H3/t22-,23-,24-/m0/s1
SMILES: CN(C)C(=O)[C@H](CSCC1=C(C=CN=C1)SC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\O)/C4=C(SC(=N4)N)Cl)SC2)C(=O)[O-])[NH3+]
InChI: InChI=1S/C23H25ClN8O6S4/c1-31(2)19(34)10(25)7-39-6-9-5-27-4-3-11(9)41-12-8-40-21-15(20(35)32(21)16(12)22(36)37)28-18(33)14(30-38)13-17(24)42-23(26)29-13/h3-5,10,15,21,38H,6-8,25H2,1-2H3,(H2,26,29)(H,28,33)(H,36,37)/b30-14-/t10-,15+,21+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@H]([C@@H](N3N2CCC3)C#N)C#N
InChI: InChI=1S/C15H16N4/c1-11-3-5-12(6-4-11)15-13(9-16)14(10-17)18-7-2-8-19(15)18/h3-6,13-15H,2,7-8H2,1H3/t13-,14+,15+/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3CC=C([C@@H]([C@@]3(C2=O)C4=CC=CC=C4)C5=C(C=CC=C5OC)O)C=C
InChI: InChI=1S/C30H28N2O4/c1-4-20-15-18-23-28(34)32(31-22-16-13-19(2)14-17-22)29(35)30(23,21-9-6-5-7-10-21)27(20)26-24(33)11-8-12-25(26)36-3/h4-17,23,27,31,33H,1,18H2,2-3H3/t23-,27+,30+/m0/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O)O)O)O)O
InChI: InChI=1S/C21H25N5O23P2/c27-12-1-2-23(21(33)22-12)19-16(31)14(29)11(46-19)6-45-50(40,41)49-51(42,43)48-20-17(32)15(30)13(28)10(47-20)5-44-18-8(25(36)37)3-7(24(34)35)4-9(18)26(38)39/h1-4,10-11,13-17,19-20,28-32H,5-6H2,(H,40,41)(H,42,43)(H,22,27,33)/t10-,11-,13+,14-,15+,16-,17-,19-,20-/m1/s1
SMILES: CCOC(=O)[C@@H]1C[C@H]1CN(CCN2CCCC2)C(=O)CC3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C22H30N2O5/c1-2-27-22(26)18-13-17(18)14-24(10-9-23-7-3-4-8-23)21(25)12-16-5-6-19-20(11-16)29-15-28-19/h5-6,11,17-18H,2-4,7-10,12-15H2,1H3/t17-,18+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@@]2(CC3=C1N=C(S3)NC(=O)C4=CC=C(C=C4)CN5CCN(CC5)C)C)[C@H](C)C(=O)N(C)CC#C)O
InChI: InChI=1S/C33H45N5O3S/c1-7-14-37(6)31(41)21(2)25-12-13-33(4)19-26-28(22(3)27(33)29(25)39)34-32(42-26)35-30(40)24-10-8-23(9-11-24)20-38-17-15-36(5)16-18-38/h1,8-11,21-22,25,27,29,39H,12-20H2,2-6H3,(H,34,35,40)/t21-,22-,25+,27+,29-,33+/m0/s1
SMILES: CC1=CC(=CC(=C1)NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)C
InChI: InChI=1S/C21H26N2O5/c1-12-8-13(2)10-15(9-12)22-18(24)11-28-21(27)14(3)23-19(25)16-6-4-5-7-17(16)20(23)26/h8-10,14,16-17H,4-7,11H2,1-3H3,(H,22,24)/t14-,16-,17-/m0/s1
SMILES: C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CCC4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C6=CC=C(C=C6)C#N)C)CN1C
InChI: InChI=1S/C30H41N3/c1-20-26-11-12-28-25-10-7-22-17-24(33(4)23-8-5-21(18-31)6-9-23)13-15-29(22,2)27(25)14-16-30(26,28)19-32(20)3/h5-9,20,24-28H,10-17,19H2,1-4H3/t20-,24-,25+,26+,27?,28-,29-,30-/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CC(=O)O)O)O)O)N
InChI: InChI=1S/C12H16N5O8P/c13-10-7-11(15-3-14-10)17(4-16-7)12-9(21)8(20)5(25-12)1-24-26(22,23)2-6(18)19/h3-5,8-9,12,20-21H,1-2H2,(H,18,19)(H,22,23)(H2,13,14,15)/t5-,8-,9-,12-/m1/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C(=CC=C5)F)O)C)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C
InChI: InChI=1S/C37H34ClFN4O5S/c1-5-13-42-33(45)20-11-10-19-23(29(20)35(42)47)15-24-34(46)43(36(48)37(24,3)30(19)21-7-6-8-25(39)31(21)44)28-16-26(40-41(28)4)32-17(2)22-14-18(38)9-12-27(22)49-32/h6-10,12,14,16,20,23-24,29-30,44H,5,11,13,15H2,1-4H3/t20-,23+,24-,29-,30+,37+/m0/s1
SMILES: C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)C3=CC=CC(=C3)F
InChI: InChI=1S/C16H19FN2O2S/c1-2-12-11-19-7-6-13(12)8-15(19)10-18-22(20,21)16-5-3-4-14(17)9-16/h1,3-5,9,12-13,15,18H,6-8,10-11H2/t12-,13-,15+/m0/s1
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)[C@@H]3CC=CC[C@@H]3C(=O)O
InChI: InChI=1S/C20H26N2O5S/c1-14-7-8-15(2)18(13-14)28(26,27)22-11-9-21(10-12-22)19(23)16-5-3-4-6-17(16)20(24)25/h3-4,7-8,13,16-17H,5-6,9-12H2,1-2H3,(H,24,25)/t16-,17+/m1/s1
SMILES: CCC[C@@]1(C2CCCC[C@H]2[C@H]3[C@@H]4C[C@H]([C@H]3C1=O)C=C4)CO
InChI: InChI=1S/C19H28O2/c1-2-9-19(11-20)15-6-4-3-5-14(15)16-12-7-8-13(10-12)17(16)18(19)21/h7-8,12-17,20H,2-6,9-11H2,1H3/t12-,13+,14+,15?,16+,17+,19-/m0/s1
SMILES: CC(=CCC[C@@](C)([C@H]1CC[C@@]2(C1[C@@H](C[C@H]3[C@]2(CCC([C@]3(C)CCC(=O)OC)C(=C)C)C)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)C)O)C
InChI: InChI=1S/C36H60O8/c1-21(2)11-10-15-36(8,41)24-13-18-35(7)29(24)26(44-32-31(40)30(39)25(37)20-43-32)19-27-33(5,16-14-28(38)42-9)23(22(3)4)12-17-34(27,35)6/h11,23-27,29-32,37,39-41H,3,10,12-20H2,1-2,4-9H3/t23?,24-,25+,26+,27+,29?,30-,31+,32-,33-,34+,35+,36-/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(=C4)CNC(=O)C5=CN=CC=C5)CN(CC6=CC=CC=C6)CC7=CC=CC=C7
InChI: InChI=1S/C46H45N3O4/c1-33-43(31-49(29-34-10-4-2-5-11-34)30-35-12-6-3-7-13-35)52-46(53-44(33)39-19-17-36(32-50)18-20-39)40-23-21-38(22-24-40)41-15-8-14-37(26-41)27-48-45(51)42-16-9-25-47-28-42/h2-26,28,33,43-44,46,50H,27,29-32H2,1H3,(H,48,51)/t33-,43+,44+,46+/m0/s1
SMILES: C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)CC[C@@H]4[C@@]3(CC[C@H]4[C@H](CCCC(C)C)C(=O)NCCCN(CCCN)CCCN)C)C
InChI: InChI=1S/C38H72N4O2/c1-27(2)11-7-12-30(35(44)41-23-10-26-42(24-8-21-39)25-9-22-40)29-15-19-37(5)32(29)13-14-34-36(4)18-17-33(43)28(3)31(36)16-20-38(34,37)6/h27-34,43H,7-26,39-40H2,1-6H3,(H,41,44)/t28-,29-,30-,31-,32-,33+,34-,36-,37-,38-/m0/s1
SMILES: CCOC1=CC2=C(C=C1)NC(=O)[C@@H]([C@@H](S2)C3=CC=C(C=C3)OC)O
InChI: InChI=1S/C18H19NO4S/c1-3-23-13-8-9-14-15(10-13)24-17(16(20)18(21)19-14)11-4-6-12(22-2)7-5-11/h4-10,16-17,20H,3H2,1-2H3,(H,19,21)/t16-,17+/m1/s1
SMILES: CCCCCCCCN(CCCCCCCC)C[C@@H]1[C@@H]([C@@H](O[C@@H](O1)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)CO)C
InChI: InChI=1S/C44H60N2O5/c1-4-6-8-10-12-16-28-45(29-17-13-11-9-7-5-2)31-40-33(3)41(36-24-22-35(32-47)23-25-36)51-44(50-40)37-26-20-34(21-27-37)30-46-42(48)38-18-14-15-19-39(38)43(46)49/h14-15,18-27,33,40-41,44,47H,4-13,16-17,28-32H2,1-3H3/t33-,40+,41+,44+/m0/s1
SMILES: CC([C@H]1CC[C@@H]2[C@@]1(C[C@@H](C3[C@H]2CCC4(C3)OCCO4)O)C)O
InChI: InChI=1S/C18H30O4/c1-11(19)14-3-4-15-12-5-6-18(21-7-8-22-18)9-13(12)16(20)10-17(14,15)2/h11-16,19-20H,3-10H2,1-2H3/t11?,12-,13?,14-,15+,16+,17-/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1CN3C[C@@H]4CC=C[C@@H]4C5=C3C2=CC(=C5)C(=O)[O-]
InChI: InChI=1S/C19H19NO2/c21-19(22)13-7-16-14-5-1-3-11(14)9-20-10-12-4-2-6-15(12)17(8-13)18(16)20/h1-2,5-8,11-12,14-15H,3-4,9-10H2,(H,21,22)/p-1/t11-,12+,14-,15+