EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)COC(=O)C2=CC=CS2)C(C)C
InChI: InChI=1S/C17H24O4S/c1-11(2)13-7-6-12(3)9-14(13)21-16(18)10-20-17(19)15-5-4-8-22-15/h4-5,8,11-14H,6-7,9-10H2,1-3H3/t12-,13+,14-/m1/s1
SMILES: CCOC(=O)[C@@H]1C[C@H]1CN(CCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4N3
InChI: InChI=1S/C24H26N2O3/c1-2-29-24(28)20-14-19(20)16-26(13-12-17-8-4-3-5-9-17)23(27)22-15-18-10-6-7-11-21(18)25-22/h3-11,15,19-20,25H,2,12-14,16H2,1H3/t19-,20+/m0/s1
SMILES: CCCCCC(C)(C)N.CC1=C(SC=N1)/C=C/C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)O
InChI: InChI=1S/C21H19N3O4S2.C8H19N/c1-12-15(30-11-22-12)8-7-14-10-29-20-17(19(26)24(20)18(14)21(27)28)23-16(25)9-13-5-3-2-4-6-13;1-4-5-6-7-8(2,3)9/h2-8,11,17,20H,9-10H2,1H3,(H,23,25)(H,27,28);4-7,9H2,1-3H3/b8-7+;/t17-,20-;/m1./s1
SMILES: C[C@H]1[C@H](CC[C@H](N1C(=O)OCC(Cl)(Cl)Cl)CCCCCCCCCCCC=O)O
InChI: InChI=1S/C21H36Cl3NO4/c1-17-19(27)14-13-18(25(17)20(28)29-16-21(22,23)24)12-10-8-6-4-2-3-5-7-9-11-15-26/h15,17-19,27H,2-14,16H2,1H3/t17-,18+,19-/m0/s1
SMILES: CCOC1=CC=CC=C1NC(=O)[C@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)O3
InChI: InChI=1S/C16H19NO5/c1-2-21-10-6-4-3-5-9(10)17-15(18)13-11-7-8-12(22-11)14(13)16(19)20/h3-6,11-14H,2,7-8H2,1H3,(H,17,18)(H,19,20)/t11-,12+,13+,14+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)OC(F)(F)F
InChI: InChI=1S/C16H12F3NO3/c17-16(18,19)23-11-5-3-10(4-6-11)20-14(21)12-8-1-2-9(7-8)13(12)15(20)22/h1-6,8-9,12-13H,7H2/t8-,9+,12-,13-/m0/s1
SMILES: CCCN1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)C)C
InChI: InChI=1S/C29H53N/c1-7-18-30-19-17-28(5)23(20-30)11-12-24-26-14-13-25(22(4)10-8-9-21(2)3)29(26,6)16-15-27(24)28/h21-27H,7-20H2,1-6H3/t22-,23+,24+,25-,26+,27+,28+,29-/m1/s1
SMILES: C[C@@H]1[C@H](N=C(O1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)CO
InChI: InChI=1S/C23H22NO2P/c1-17-21(16-25)24-23(26-17)20-14-8-9-15-22(20)27(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17,21,25H,16H2,1H3/t17-,21-/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)C=CC6=C(C=CC(=C6)OC)OC)C7=CC(=C(C(=C7)Cl)O)OC
InChI: InChI=1S/C40H34ClNO8/c1-20-15-31(43)29-19-28-26(34(36(29)37(20)44)23-17-30(41)38(45)33(18-23)50-4)12-13-27-35(28)40(47)42(39(27)46)24-9-6-21(7-10-24)5-8-22-16-25(48-2)11-14-32(22)49-3/h5-12,14-18,27-28,34-35,45H,13,19H2,1-4H3/t27-,28+,34-,35-/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)C6=CC=CC=C6)C)C(=O)N(C4=O)CC7=CC=CS7)O
InChI: InChI=1S/C33H30N2O5S/c1-18-8-6-12-23(28(18)36)27-21-13-14-22-26(31(39)34(29(22)37)17-20-11-7-15-41-20)24(21)16-25-30(38)35(32(40)33(25,27)2)19-9-4-3-5-10-19/h3-13,15,22,24-27,36H,14,16-17H2,1-2H3/t22-,24+,25-,26-,27+,33+/m0/s1
SMILES: CC1=C(C(=O)C2=C(O1)C=C(C=C2)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CSC(=N4)C
InChI: InChI=1S/C28H29NO12S/c1-12-23(20-11-42-13(2)29-20)24(34)19-8-7-18(9-21(19)36-12)40-28-27(39-17(6)33)26(38-16(5)32)25(37-15(4)31)22(41-28)10-35-14(3)30/h7-9,11,22,25-28H,10H2,1-6H3/t22-,25+,26+,27-,28-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]
InChI: InChI=1S/C15H21N3O3/c1-9-4-3-5-12(10(9)2)17-13-7-6-11(15(16)19)8-14(13)18(20)21/h6-10,12,17H,3-5H2,1-2H3,(H2,16,19)/t9-,10-,12-/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1[C@@H](C2=CC=CC2=C(C13CC3)C)O
InChI: InChI=1S/C18H28O2Si/c1-5-21(6-2,7-3)20-17-16(19)15-10-8-9-14(15)13(4)18(17)11-12-18/h8-10,16-17,19H,5-7,11-12H2,1-4H3/t16-,17-/m1/s1
SMILES: CN1CC[C@]23[C@@H]4C5(CC[C@]2([C@H]1CC6=C3C(=C(C=C6)OCC7=CC=CC=C7)O4)OCC8=C(C=CC=C8Cl)Cl)OCCO5
InChI: InChI=1S/C33H33Cl2NO5/c1-36-15-14-31-28-22-10-11-26(37-19-21-6-3-2-4-7-21)29(28)41-30(31)33(38-16-17-39-33)13-12-32(31,27(36)18-22)40-20-23-24(34)8-5-9-25(23)35/h2-11,27,30H,12-20H2,1H3/t27-,30-,31+,32-/m1/s1
SMILES: C1C[C@@H]2C(=O)C3=CC=CC=C3N4[C@]2([C@H](C1)N([N-]4)P5(=O)C[C@@H](O[C@@H](C5)C6=CC=CC=C6)C7=CC=CC=C7)O
InChI: InChI=1S/C29H29N3O4P/c33-28-22-14-7-8-16-24(22)31-29(34)23(28)15-9-17-27(29)32(30-31)37(35)18-25(20-10-3-1-4-11-20)36-26(19-37)21-12-5-2-6-13-21/h1-8,10-14,16,23,25-27,34H,9,15,17-19H2/q-1/t23-,25-,26+,27+,29+,37?/m1/s1
SMILES: C/C=C(\OC)/O[Si]1(CCC1)O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C
InChI: InChI=1S/C17H32O3Si/c1-6-17(18-5)20-21(10-7-11-21)19-16-12-14(4)8-9-15(16)13(2)3/h6,13-16H,7-12H2,1-5H3/b17-6+/t14-,15+,16-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H](COC(=O)[C@H](C(C)(C)O)N(C)C(=O)CN(C)C(=O)CN)C(=O)N1[C@@H]([C@H](CC=N1)O[Si](C)(C)C(C)(C)C)C(=O)O
InChI: InChI=1S/C30H54N6O11Si/c1-28(2,3)46-27(43)33-18(17-45-26(42)23(30(7,8)44)35(10)21(38)16-34(9)20(37)15-31)24(39)36-22(25(40)41)19(13-14-32-36)47-48(11,12)29(4,5)6/h14,18-19,22-23,44H,13,15-17,31H2,1-12H3,(H,33,43)(H,40,41)/t18-,19+,22+,23-/m1/s1
SMILES: C1C[N+]2(CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@@]16[C@H]5N([C@H]7[C@@H]8[C@H]9C[C@H]1[C@@]2([C@H]8N4C3=CC=CC=C32)CC[N+]1(CC9=CCO7)CC1CO1)C1=CC=CC=C61)CC1CO1
InChI: InChI=1S/C44H50N4O4/c1-3-7-33-31(5-1)43-11-13-47(21-27-23-51-27)19-25-10-16-50-42-37(29(25)17-35(43)47)39(43)45(33)41-38-30-18-36-44(32-6-2-4-8-34(32)46(42)40(38)44)12-14-48(36,22-28-24-52-28)20-26(30)9-15-49-41/h1-10,27-30,35-42H,11-24H2/q+2/t27?,28?,29-,30-,35-,36-,37+,38+,39-,40-,41+,42+,43+,44+,47?,48?/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)SC2=NN(C(=S)S2)C3=CC=CC=C3
InChI: InChI=1S/C18H23N3OS3/c1-12-8-6-7-11-15(12)19-16(22)13(2)24-17-20-21(18(23)25-17)14-9-4-3-5-10-14/h3-5,9-10,12-13,15H,6-8,11H2,1-2H3,(H,19,22)/t12-,13-,15-/m1/s1
SMILES: CCC1=C(SC(=C1C(=O)OCC)NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)C=C3)C
InChI: InChI=1S/C20H25NO5S/c1-4-13-10(3)27-18(16(13)20(25)26-5-2)21-17(22)14-11-6-8-12(9-7-11)15(14)19(23)24/h6,8,11-12,14-15H,4-5,7,9H2,1-3H3,(H,21,22)(H,23,24)/t11-,12+,14-,15+/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)CNC(=O)CCCC(=O)O)CSC5=NN=NN5C6=CC=C(C=C6)O
InChI: InChI=1S/C38H39N5O7S/c1-24-33(23-51-38-40-41-42-43(38)31-16-18-32(45)19-17-31)49-37(50-36(24)28-10-8-25(22-44)9-11-28)29-14-12-27(13-15-29)30-5-2-4-26(20-30)21-39-34(46)6-3-7-35(47)48/h2,4-5,8-20,24,33,36-37,44-45H,3,6-7,21-23H2,1H3,(H,39,46)(H,47,48)/t24-,33+,36+,37+/m1/s1
SMILES: CNC[C@@H]1[C@H](C2=CC=CC=C2OC3=C1C=C(C=C3)Cl)C(=O)O
InChI: InChI=1S/C17H16ClNO3/c1-19-9-13-12-8-10(18)6-7-15(12)22-14-5-3-2-4-11(14)16(13)17(20)21/h2-8,13,16,19H,9H2,1H3,(H,20,21)/t13-,16-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)N[C@H]1C[Se]C2=CC=CC=C2
InChI: InChI=1S/C17H27NO2SeSi/c1-17(2,3)22(4,5)20-15-11-16(19)18-14(15)12-21-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3,(H,18,19)/t14-,15-/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]1CN(C2CCCCC2)C(=O)C3=CC4=C(C=C3)OCC4
InChI: InChI=1S/C22H29NO4/c1-2-26-22(25)19-13-17(19)14-23(18-6-4-3-5-7-18)21(24)16-8-9-20-15(12-16)10-11-27-20/h8-9,12,17-19H,2-7,10-11,13-14H2,1H3/t17-,19+/m1/s1
SMILES: C/C=C\1/C[N+]2(CC[C@]34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C=O)C
InChI: InChI=1S/C20H22N2O/c1-3-13-11-22(2)9-8-20-16-6-4-5-7-17(16)21-19(20)15(12-23)14(13)10-18(20)22/h3-7,12,14,18H,8-11H2,1-2H3/p+1/b13-3-/t14-,18-,20-,22?/m0/s1
SMILES: CCN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC=CO3)(CCSC)C(=O)OCC
InChI: InChI=1S/C18H24N2O5S/c1-4-20-15(21)12-13(16(20)22)18(8-10-26-3,17(23)24-5-2)19-14(12)11-7-6-9-25-11/h6-7,9,12-14,19H,4-5,8,10H2,1-3H3/t12-,13-,14-,18-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)CCCCCCS)O)O)O
InChI: InChI=1S/C26H39N9O18P4S/c27-23-20-25(31-11-29-23)34(12-33-20)18-7-15(36)16(49-18)8-47-54(39,40)51-56(43,44)53-57(45,46)52-55(41,42)48-9-17-21(37)22(38)26(50-17)35-13-32-19-14(28-10-30-24(19)35)5-3-1-2-4-6-58/h10-13,15-18,21-22,26,36-38,58H,1-9H2,(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,27,29,31)/t15-,16+,17+,18+,21+,22+,26+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(OC3=NC2=O)CCCCCCCCCOCCCCCl)CO)O
InChI: InChI=1S/C24H37ClN2O6/c25-11-7-9-13-31-12-8-5-3-1-2-4-6-10-19-14-18-16-27(24(30)26-23(18)32-19)22-15-20(29)21(17-28)33-22/h14,16,20-22,28-29H,1-13,15,17H2/t20-,21+,22+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC=C(C8=CC=CC=C78)O)C(=O)N(C5=O)C9=CC=C(C=C9)C(=O)C
InChI: InChI=1S/C45H37N3O6/c1-25-12-16-29(17-13-25)46-48-42(52)37-24-36-34(20-21-35-39(36)43(53)47(41(35)51)30-18-14-27(15-19-30)26(2)49)40(45(37,44(48)54)28-8-4-3-5-9-28)33-22-23-38(50)32-11-7-6-10-31(32)33/h3-20,22-23,35-37,39-40,46,50H,21,24H2,1-2H3/t35-,36+,37-,39-,40-,45+/m0/s1
SMILES: C[N+]1=C2C=CC(=NN2C=C1)/C=C\C3=C(N4[C@@H]([C@@H](C4=O)N)SC3)C(=O)[O-]
InChI: InChI=1S/C16H15N5O3S/c1-19-6-7-20-11(19)5-4-10(18-20)3-2-9-8-25-15-12(17)14(22)21(15)13(9)16(23)24/h2-7,12,15H,8,17H2,1H3/b3-2-/t12-,15-/m1/s1
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)O
InChI: InChI=1S/C23H34O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h15,17-19,27H,4-13H2,1-3H3/t15-,17+,18-,19+,21-,22-,23-/m0/s1
SMILES: C[C@H](CCC(C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3([C@H](C[C@@H](C4)O)O)C)C
InChI: InChI=1S/C27H46O3/c1-16(2)24(29)11-6-17(3)21-9-10-22-20-8-7-18-14-19(28)15-25(30)27(18,5)23(20)12-13-26(21,22)4/h7,16-17,19-25,28-30H,6,8-15H2,1-5H3/t17-,19-,20+,21-,22+,23+,24?,25+,26-,27+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F
InChI: InChI=1S/C18H23F2NO5S/c1-11-4-3-5-15(12(11)2)21-16(22)10-26-17(23)13-6-8-14(9-7-13)27(24,25)18(19)20/h6-9,11-12,15,18H,3-5,10H2,1-2H3,(H,21,22)/t11-,12+,15+/m1/s1
SMILES: C[C@H]1C[C@@H](OC(=O)[C@@H]1C)[C@@](C)([C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C[C@@H]([C@@H]6O)OC)C)O5)C)O
InChI: InChI=1S/C29H44O7/c1-14-11-22(35-25(32)15(14)2)28(5,33)20-8-7-17-16-12-23-29(36-23)24(31)19(34-6)13-21(30)27(29,4)18(16)9-10-26(17,20)3/h14-20,22-24,31,33H,7-13H2,1-6H3/t14-,15+,16-,17-,18-,19-,20-,22+,23+,24-,26-,27-,28+,29-/m0/s1
SMILES: C[C@@]12[C@@H](C3C4=CC=CC=C4C1C5=CC=CC=C35)C(=O)N(C2=O)C6=CC=C(C=C6)OC
InChI: InChI=1S/C26H21NO3/c1-26-22-19-9-5-3-7-17(19)21(18-8-4-6-10-20(18)22)23(26)24(28)27(25(26)29)15-11-13-16(30-2)14-12-15/h3-14,21-23H,1-2H3/t21?,22?,23-,26-/m0/s1
SMILES: CCCCCCCCCCCC(=O)OCC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCC
InChI: InChI=1S/C33H62O10/c1-3-5-7-9-11-13-15-17-19-21-28(35)40-24-26(25-41-33-32(39)31(38)30(37)27(23-34)43-33)42-29(36)22-20-18-16-14-12-10-8-6-4-2/h26-27,30-34,37-39H,3-25H2,1-2H3/t26?,27-,30+,31+,32-,33-/m1/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(C[C@@H]5[C@H](C4)O5)C)C
InChI: InChI=1S/C27H46O/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24-25(28-24)16-27(19,5)23(20)13-14-26(21,22)4/h17-25H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1
SMILES: COC1=CC=C(C=C1)CS[C@H]2[C@H](C3CC[NH+]2CC3)C(=O)NNC(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H27N3O3S/c1-29-19-9-7-16(8-10-19)15-30-23-20(17-11-13-26(23)14-12-17)22(28)25-24-21(27)18-5-3-2-4-6-18/h2-10,17,20,23H,11-15H2,1H3,(H,24,27)(H,25,28)/p+1/t20-,23+/m1/s1
SMILES: COC1=CC=CC(=C1OC)[C@H]2[C@@H]3CC=C[C@H]3C4=C(N2)C=CC(=C4)C(=O)[O-]
InChI: InChI=1S/C21H21NO4/c1-25-18-8-4-7-15(20(18)26-2)19-14-6-3-5-13(14)16-11-12(21(23)24)9-10-17(16)22-19/h3-5,7-11,13-14,19,22H,6H2,1-2H3,(H,23,24)/p-1/t13-,14-,19-/m1/s1
SMILES: C[C@@H]1CN(CC[C@]1(C)C2=CC(=CC=C2)O)CCC(=O)C3=CC=CC=C3
InChI: InChI=1S/C22H27NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h3-10,15,17,24H,11-14,16H2,1-2H3/t17-,22+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C=C/[C@@H](CC[C@@H](C=O)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)C(C)(C)C2=CC=CC=C2
InChI: InChI=1S/C34H50O7/c1-23-15-19-27(34(8,9)24-13-11-10-12-14-24)28(21-23)41-29(36)20-18-25(39-30(37)32(2,3)4)16-17-26(22-35)40-31(38)33(5,6)7/h10-14,18,20,22-23,25-28H,15-17,19,21H2,1-9H3/b20-18+/t23-,25-,26+,27-,28-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)CC(C)C
InChI: InChI=1S/C27H32N2O/c1-18(2)16-20-12-14-21(15-13-20)26-17-23(22-9-5-7-11-25(22)28-26)27(30)29-24-10-6-4-8-19(24)3/h5,7,9,11-15,17-19,24H,4,6,8,10,16H2,1-3H3,(H,29,30)/t19-,24-/m0/s1
SMILES: CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C)CCC4=C3C=CC(=C4)OC
InChI: InChI=1S/C22H30O3/c1-4-22-12-11-18-17-8-6-16(24-3)13-15(17)5-7-19(18)20(22)9-10-21(22)25-14(2)23/h6,8,13,18-21H,4-5,7,9-12H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC5=C4N=C(C=C5)Cl)C)O
InChI: InChI=1S/C22H28ClNO/c1-21-9-7-15(25)12-14(21)4-5-16-17(21)8-10-22(2)18(16)11-13-3-6-19(23)24-20(13)22/h3-4,6,15-18,25H,5,7-12H2,1-2H3/t15-,16+,17-,18-,21-,22-/m0/s1
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOC3=C(C=CC(=C3)C4(N=N4)C(F)(F)F)C(=O)N[C@@H]5[C@H]([C@H]([C@H](O[C@H]5O/C(=C\C6=CC=C(C=C6)O)/C(=O)O)CO)O)O)NC(=O)N2
InChI: InChI=1S/C40H49F3N6O14S/c41-40(42,43)39(48-49-39)22-7-10-24(35(55)46-32-34(54)33(53)28(19-50)63-37(32)62-27(36(56)57)17-21-5-8-23(51)9-6-21)26(18-22)61-16-15-60-14-13-59-12-11-44-30(52)4-2-1-3-29-31-25(20-64-29)45-38(58)47-31/h5-10,17-18,25,28-29,31-34,37,50-51,53-54H,1-4,11-16,19-20H2,(H,44,52)(H,46,55)(H,56,57)(H2,45,47,58)/b27-17-/t25-,28+,29-,31-,32+,33-,34+,37+/m0/s1
SMILES: CCCOC1=CC=CC=C1[C@@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OCC
InChI: InChI=1S/C17H22N2O4/c1-4-10-23-13-9-7-6-8-12(13)15-14(16(20)22-5-2)11(3)18-17(21)19-15/h6-9,14-15H,3-5,10H2,1-2H3,(H2,18,19,21)/t14-,15-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC(=CC=C4)OC(=O)C5=CC=CO5
InChI: InChI=1S/C20H17NO5/c22-18-16-11-6-7-12(9-11)17(16)19(23)21(18)13-3-1-4-14(10-13)26-20(24)15-5-2-8-25-15/h1-5,8,10-12,16-17H,6-7,9H2/t11-,12+,16-,17-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C=C5)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)C=CC7=C(C=CC(=C7)OC)OC
InChI: InChI=1S/C40H35NO8/c1-21-17-32(43)37-30(38(21)44)20-29-27(35(37)24-9-15-31(42)34(19-24)49-4)13-14-28-36(29)40(46)41(39(28)45)25-10-6-22(7-11-25)5-8-23-18-26(47-2)12-16-33(23)48-3/h5-13,15-19,28-29,35-36,42H,14,20H2,1-4H3/t28-,29+,35-,36-/m0/s1
SMILES: CC1=C(C=C(C=C1)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=C(C=C(C=C6)O)OC)Cl)C7=C(C(=C(C(=C7F)F)F)F)F)Cl)Cl
InChI: InChI=1S/C34H22Cl3F5N2O6/c1-12-3-4-13(9-19(12)35)43-29(46)17-8-7-15-18(21(17)30(43)47)11-33(36)31(48)44(28-26(41)24(39)23(38)25(40)27(28)42)32(49)34(33,37)22(15)16-6-5-14(45)10-20(16)50-2/h3-7,9-10,17-18,21-22,45H,8,11H2,1-2H3/t17-,18+,21-,22+,33+,34-/m0/s1
SMILES: CC(C)[C@@H](C(=O)N1CC[C@H]([C@H]1[C@H](CC(=O)OC(C)(C)C)O)O[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C
InChI: InChI=1S/C27H52N2O7Si/c1-17(2)21(28-24(33)35-26(6,7)8)23(32)29-15-14-19(36-37(12,13)27(9,10)11)22(29)18(30)16-20(31)34-25(3,4)5/h17-19,21-22,30H,14-16H2,1-13H3,(H,28,33)/t18-,19+,21-,22+/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@]2([C@H]1CC3=C(C(=O)O[C@H]3/C=C(\C[C@H]([C@@H]2OC(=O)C)OC(=O)C)/C)C)C)OC(=O)C
InChI: InChI=1S/C26H36O8/c1-13-10-21-19(15(3)25(30)34-21)12-20-14(2)8-9-23(32-17(5)28)26(20,7)24(33-18(6)29)22(11-13)31-16(4)27/h10,14,20-24H,8-9,11-12H2,1-7H3/b13-10-/t14-,20+,21+,22-,23+,24+,26-/m1/s1
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CC(=O)N3CC[C@@]4(CCCC[C@@H]4C3)O
InChI: InChI=1S/C22H27NO5/c1-14-17-7-6-16(27-2)11-19(17)28-21(25)18(14)12-20(24)23-10-9-22(26)8-4-3-5-15(22)13-23/h6-7,11,15,26H,3-5,8-10,12-13H2,1-2H3/t15-,22-/m1/s1
SMILES: C1=CC=C2C(=C1)[C@@H]3[C@@H]([C@H]([C@H]3C(=O)O)C(=O)O)C4=C(C2=O)C=C(C=C4)Br
InChI: InChI=1S/C19H13BrO5/c20-8-5-6-10-12(7-8)17(21)11-4-2-1-3-9(11)13-14(10)16(19(24)25)15(13)18(22)23/h1-7,13-16H,(H,22,23)(H,24,25)/t13-,14+,15+,16-/m1/s1
SMILES: C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CN4CCN(CC4)C5=CC=CC(=C5C)C)C
InChI: InChI=1S/C27H38N2O2/c1-18-7-5-9-24(20(18)3)29-13-11-28(12-14-29)17-22-21-15-23-19(2)8-6-10-27(23,4)16-25(21)31-26(22)30/h5,7,9,15,19,21-22,25H,6,8,10-14,16-17H2,1-4H3/t19-,21+,22+,25+,27+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C=C)C(C)(C)C2=CC3=CC=CC=C3C=C2
InChI: InChI=1S/C23H28O2/c1-5-22(24)25-21-14-16(2)10-13-20(21)23(3,4)19-12-11-17-8-6-7-9-18(17)15-19/h5-9,11-12,15-16,20-21H,1,10,13-14H2,2-4H3/t16-,20-,21-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@]34C[C@@H]3[C@@H](C=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C30H32O3Si/c1-29(2,3)34(24-15-9-5-10-16-24,25-17-11-6-12-18-25)32-22-30-20-19-27(26(30)21-30)33-28(31)23-13-7-4-8-14-23/h4-20,26-27H,21-22H2,1-3H3/t26-,27-,30-/m1/s1
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H25N3O3/c25-19(23-14-12-22(13-15-23)16-6-2-1-3-7-16)10-11-24-20(26)17-8-4-5-9-18(17)21(24)27/h1-7,17-18H,8-15H2/t17-,18-/m0/s1
SMILES: CN(C)CCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)C=C3
InChI: InChI=1S/C13H18N2O2/c1-14(2)5-6-15-12(16)10-8-3-4-9(7-8)11(10)13(15)17/h3-4,8-11H,5-7H2,1-2H3/t8-,9+,10+,11-
SMILES: C1CC[C@@H]([C@H](C1)NC(=O)C2=CC3=CC=CC=C3C=N2)NC(=O)[C@H](CC4=CC=CC=C4)CC(C[C@H](CC5=CC=CC=C5)C(=O)N[C@H]6CCCC[C@@H]6NC(=O)C7=CC8=CC=CC=C8C=N7)O
InChI: InChI=1S/C53H58N6O5/c60-43(29-41(27-35-15-3-1-4-16-35)50(61)56-44-23-11-13-25-46(44)58-52(63)48-31-37-19-7-9-21-39(37)33-54-48)30-42(28-36-17-5-2-6-18-36)51(62)57-45-24-12-14-26-47(45)59-53(64)49-32-38-20-8-10-22-40(38)34-55-49/h1-10,15-22,31-34,41-47,60H,11-14,23-30H2,(H,56,61)(H,57,62)(H,58,63)(H,59,64)/t41-,42+,43?,44-,45-,46-,47-/m0/s1
SMILES: CCC[C@H]1[C@H]2CC=C[C@H]2C3=C(C=CC(=C3N1)C(=O)O)[N+](=O)[O-]
InChI: InChI=1S/C16H18N2O4/c1-2-4-12-9-5-3-6-10(9)14-13(18(21)22)8-7-11(16(19)20)15(14)17-12/h3,6-10,12,17H,2,4-5H2,1H3,(H,19,20)/t9-,10+,12-/m0/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CC(=O)OCC3=NN=C(O3)C4=CC=CC=C4
InChI: InChI=1S/C19H17N3O5/c23-16(10-22-18(24)13-8-4-5-9-14(13)19(22)25)26-11-15-20-21-17(27-15)12-6-2-1-3-7-12/h1-7,13-14H,8-11H2/t13-,14-/m0/s1
SMILES: CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)CC4=CC=CC=C4C5=CC=CC=C5)N6C1=N[C@H]7[C@@H]6CCC7
InChI: InChI=1S/C31H29N5O/c1-34-30(37)28-29(36-26-18-10-17-25(26)32-31(34)36)33-27(35(28)20-21-11-4-2-5-12-21)19-23-15-8-9-16-24(23)22-13-6-3-7-14-22/h2-9,11-16,25-26H,10,17-20H2,1H3/t25-,26+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O
InChI: InChI=1S/C30H56N3O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-40-21-24(34)22-41-44(38,39)42-23-25-27(35)28(36)29(43-25)33-19-18-26(31)32-30(33)37/h18-19,24-25,27-29,34-36H,2-17,20-23H2,1H3,(H,38,39)(H2,31,32,37)/t24?,25-,27-,28+,29-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCCOC)C(=O)N[C@H](C)C3=CC=CC=C3)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)C5=CC=CC=C5)C
InChI: InChI=1S/C42H54N2O5/c1-30-13-11-23-41(3)38(36-21-19-32(27-35(45)20-18-30)28-37(36)39(46)34-16-9-6-10-17-34)22-24-42(41,48)29-44(25-12-26-49-4)40(47)43-31(2)33-14-7-5-8-15-33/h5-10,13-17,19,21,28,31,35,38,45,48H,11-12,18,20,22-27,29H2,1-4H3,(H,43,47)/t31-,35+,38+,41+,42-/m1/s1
SMILES: CC1=C(C[C@@H]2[C@H](C1)C(=O)C=C(C2=O)C3=CC(=CC=C3)Cl)C
InChI: InChI=1S/C18H17ClO2/c1-10-6-15-16(7-11(10)2)18(21)14(9-17(15)20)12-4-3-5-13(19)8-12/h3-5,8-9,15-16H,6-7H2,1-2H3/t15-,16+/m0/s1
SMILES: C[C@@H]1C[C@@H]2[C@H]3CC[C@]([C@@]3(C[C@H]([C@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)C)O
InChI: InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22+,23-,24-/m1/s1
SMILES: CCCCCCCCCCCC(=O)CC(=O)N[C@@H]1[C@H]([C@@H](C(O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)(O)O)OCC[C@@H](CCCCCCC)OC)NC(=O)CCCCCCCCC/C=C\CCCCCC)O)OCCCCCCCCCC
InChI: InChI=1S/C66H126N2O19P2/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78)/b26-25-/t54-,55?,56-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOCC)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]2(OC5=C4C=C(C=C5)OCC6=CC=CC(=N6)C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C56H78FN3O8/c1-5-8-9-10-11-12-13-14-15-20-35-64-55(63)60(39-42-26-28-44(57)29-27-42)52-38-50(59-67-7-3)48-36-43(23-16-18-32-61)47(25-17-19-33-62)53-49-37-46(65-40-45-24-21-22-41(4)58-45)30-31-51(49)68-56(52,54(48)53)66-34-6-2/h6,21-22,24,26-31,36-37,43,47,52-54,61-62H,2,5,7-20,23,25,32-35,38-40H2,1,3-4H3/t43-,47+,52-,53+,54+,56+/m0/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(C(=O)C[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)O
InChI: InChI=1S/C23H34O5/c1-13(24)23(27)10-8-18-17-6-5-15-11-16(28-14(2)25)7-9-21(15,3)19(17)12-20(26)22(18,23)4/h15-19,27H,5-12H2,1-4H3/t15-,16-,17+,18-,19+,21-,22+,23-/m0/s1
SMILES: CC(C)C1=C2CC[C@@H]3[C@@](C2=CC(=C1O)O)(CC(=O)CC3(C)C)C
InChI: InChI=1S/C20H28O3/c1-11(2)17-13-6-7-16-19(3,4)9-12(21)10-20(16,5)14(13)8-15(22)18(17)23/h8,11,16,22-23H,6-7,9-10H2,1-5H3/t16-,20+/m0/s1
SMILES: CCC(C)([C@@H]1[C@H](CCN1C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C19H39NO4Si/c1-11-19(8,22)15-14(24-25(9,10)18(5,6)7)12-13-20(15)16(21)23-17(2,3)4/h14-15,22H,11-13H2,1-10H3/t14-,15-,19?/m0/s1
SMILES: CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)[N+](=O)[O-])OC
InChI: InChI=1S/C19H26N2O7/c1-4-27-17-9-13(15(21(24)25)10-16(17)26-3)19(23)28-11-18(22)20-14-8-6-5-7-12(14)2/h9-10,12,14H,4-8,11H2,1-3H3,(H,20,22)/t12-,14-/m0/s1
SMILES: CCCCC1=C[C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C31H36O4/c1-2-3-19-28-20-29(33-22-26-15-9-5-10-16-26)31(34-23-27-17-11-6-12-18-27)30(35-28)24-32-21-25-13-7-4-8-14-25/h4-18,20,29-31H,2-3,19,21-24H2,1H3/t29-,30-,31+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)NC3=CC(=CC=C3)OC
InChI: InChI=1S/C22H30N2O5/c1-14-6-4-9-19(15(14)2)24-12-16(10-21(24)26)22(27)29-13-20(25)23-17-7-5-8-18(11-17)28-3/h5,7-8,11,14-16,19H,4,6,9-10,12-13H2,1-3H3,(H,23,25)/t14-,15+,16+,19-/m0/s1
SMILES: COC(=O)C1=CC=C(C=C1)OC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C18H17NO6/c1-24-18(23)11-6-8-12(9-7-11)25-15(20)10-19-16(21)13-4-2-3-5-14(13)17(19)22/h2-3,6-9,13-14H,4-5,10H2,1H3/t13-,14+
SMILES: CC(=O)N[C@@H](CSC(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)[C@@H]2Cl)COC(=O)C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C28H27ClN2O9S2/c1-16(32)30-21(27(35)40-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19)14-41-28(36)23-20(13-39-17(2)33)15-42(37,38)26-22(29)25(34)31(23)26/h3-12,21-22,24,26H,13-15H2,1-2H3,(H,30,32)/t21-,22-,26+/m0/s1
SMILES: CN1C(=O)[C@H]2[C@@H](C1=O)[C@]([NH2+][C@H]2C3=CC=C(C=C3)F)(C4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C21H19FN2O4/c1-24-18(25)15-16(19(24)26)21(20(27)28-2,13-6-4-3-5-7-13)23-17(15)12-8-10-14(22)11-9-12/h3-11,15-17,23H,1-2H3/p+1/t15-,16-,17-,21+/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=CN=CC=C3
InChI: InChI=1S/C16H20N4O3/c1-11-5-2-3-7-16(11)14(22)20(15(23)19-16)10-13(21)18-12-6-4-8-17-9-12/h4,6,8-9,11H,2-3,5,7,10H2,1H3,(H,18,21)(H,19,23)/t11-,16+/m0/s1
SMILES: CCOC([C@H](C1=C([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)S(=O)C5=CC=CC=C5)OC(=O)C)OCC
InChI: InChI=1S/C41H46O9S/c1-4-45-41(46-5-2)39(49-30(3)42)38-40(51(43)34-24-16-9-17-25-34)37(48-28-33-22-14-8-15-23-33)36(47-27-32-20-12-7-13-21-32)35(50-38)29-44-26-31-18-10-6-11-19-31/h6-25,35-37,39,41H,4-5,26-29H2,1-3H3/t35-,36+,37+,39+,51?/m1/s1
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C21H27NO6S/c1-4-27-21(26)18-11(2)19(12(3)23)29-20(18)22-16(24)10-28-17(25)9-15-8-13-5-6-14(15)7-13/h13-15H,4-10H2,1-3H3,(H,22,24)/t13-,14+,15-/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CC(C2=CC(=C(C=C2)O)OC)O)O)O)O
InChI: InChI=1S/C15H22O7/c1-7-13(18)15(20)14(19)12(22-7)6-10(17)8-3-4-9(16)11(5-8)21-2/h3-5,7,10,12-20H,6H2,1-2H3/t7-,10?,12-,13+,14+,15+/m1/s1
SMILES: C[C@@H]1C[C@H]1C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3
InChI: InChI=1S/C19H26N2O5S/c1-14-12-17(14)19(23)26-13-18(22)20-15-6-8-16(9-7-15)27(24,25)21-10-4-2-3-5-11-21/h6-9,14,17H,2-5,10-13H2,1H3,(H,20,22)/t14-,17-/m1/s1
SMILES: C1[C@@H]([C@@H]([C@@H](C2=CN=CN21)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C21H22N2O3/c24-19-12-23-15-22-11-18(23)20(25-13-16-7-3-1-4-8-16)21(19)26-14-17-9-5-2-6-10-17/h1-11,15,19-21,24H,12-14H2/t19-,20+,21-/m0/s1
SMILES: C1CCCC2(CC1)C(=O)N(C(=O)N2)CN3CCC[C@@H]4[C@@H]3CCCC4
InChI: InChI=1S/C19H31N3O2/c23-17-19(11-5-1-2-6-12-19)20-18(24)22(17)14-21-13-7-9-15-8-3-4-10-16(15)21/h15-16H,1-14H2,(H,20,24)/t15-,16+/m1/s1
SMILES: C/C=C\1/CN2CCC1[C@]3([C@@H]2C[C@]4(C3=O)[C@@H](NC5=CC=CC=C45)O)C(=O)OC
InChI: InChI=1S/C21H24N2O4/c1-3-12-11-23-9-8-13(12)21(19(26)27-2)16(23)10-20(17(21)24)14-6-4-5-7-15(14)22-18(20)25/h3-7,13,16,18,22,25H,8-11H2,1-2H3/b12-3-/t13?,16-,18-,20-,21+/m0/s1