EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC=C(C=C1)NC2=C([C@@H]([C@@H]([C@@](C2)(C)O)C(=O)OC)C3=CN=CC=C3)C(=O)OC
InChI: InChI=1S/C23H26N2O5/c1-14-7-9-16(10-8-14)25-17-12-23(2,28)20(22(27)30-4)18(19(17)21(26)29-3)15-6-5-11-24-13-15/h5-11,13,18,20,25,28H,12H2,1-4H3/t18-,20+,23-/m0/s1
SMILES: B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)C(C(C)C)N
InChI: InChI=1S/C14H26BNO2/c1-8(2)12(16)15-17-11-7-9-6-10(13(9,3)4)14(11,5)18-15/h8-12H,6-7,16H2,1-5H3/t9-,10-,11+,12?,14-/m0/s1
SMILES: COC1=CC=CC=C1[C@@H]2[C@@]3(O2)[C@@H](S(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI: InChI=1S/C23H18O4S/c1-26-18-13-7-5-11-16(18)21-23(27-21)20(24)17-12-6-8-14-19(17)28(25)22(23)15-9-3-2-4-10-15/h2-14,21-22H,1H3/t21-,22+,23-,28?/m1/s1
SMILES: CC1(CCCC2=C1C[C@@H]([C@H](C2)C(=O)N3CCC4=CC=CC=C43)C(=O)O)C
InChI: InChI=1S/C22H27NO3/c1-22(2)10-5-7-15-12-16(17(21(25)26)13-18(15)22)20(24)23-11-9-14-6-3-4-8-19(14)23/h3-4,6,8,16-17H,5,7,9-13H2,1-2H3,(H,25,26)/t16-,17-/m0/s1
SMILES: CN1C(=NN(C1=S)CN2CCC[C@@H]3[C@@H]2CCCC3)C4=CC=CC=C4F
InChI: InChI=1S/C19H25FN4S/c1-22-18(15-9-3-4-10-16(15)20)21-24(19(22)25)13-23-12-6-8-14-7-2-5-11-17(14)23/h3-4,9-10,14,17H,2,5-8,11-13H2,1H3/t14-,17+/m1/s1
SMILES: CC1CCC(CC1)NC(=O)[C@H]2C[C@@H]2CN3CCN(CC3)C4=NOC5=C4SC=C5
InChI: InChI=1S/C21H30N4O2S/c1-14-2-4-16(5-3-14)22-21(26)17-12-15(17)13-24-7-9-25(10-8-24)20-19-18(27-23-20)6-11-28-19/h6,11,14-17H,2-5,7-10,12-13H2,1H3,(H,22,26)/t14?,15-,16?,17+/m1/s1
SMILES: CC(=O)OC[C@@]12CC[C@@]3([C@@H]([C@@H]1CC(CC2)(C)C)[C@H](C[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)O)C
InChI: InChI=1S/C34H56O5/c1-21(35)38-20-34-16-14-29(3,4)19-23(34)28-24(37)18-26-31(7)12-11-27(39-22(2)36)30(5,6)25(31)10-13-32(26,8)33(28,9)15-17-34/h23-28,37H,10-20H2,1-9H3/t23-,24-,25-,26+,27-,28-,31-,32+,33+,34+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)C2=CN=C(C=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)OC(=O)C
InChI: InChI=1S/C28H30N2O5/c1-20(31)33-19-27-26(34-21(2)32)15-25(35-27)24-13-14-28(29-16-24)30(17-22-9-5-3-6-10-22)18-23-11-7-4-8-12-23/h3-14,16,25-27H,15,17-19H2,1-2H3/t25-,26+,27-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CCCC[C@H]2C3=N[C@H](CO3)C(C)C
InChI: InChI=1S/C19H28N2O3S/c1-13(2)18-12-24-19(20-18)16-6-4-5-7-17(16)21-25(22,23)15-10-8-14(3)9-11-15/h8-11,13,16-18,21H,4-7,12H2,1-3H3/t16-,17-,18-/m1/s1
SMILES: CC[C@]1(CC[C@@H](O1)[C@@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)[O-])OC)C)O)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(COCC6=CC=CC=C6)OC)C)C)C
InChI: InChI=1S/C44H70O11/c1-11-42(39-27(3)22-34(51-39)36-26(2)21-28(4)44(49-10,54-36)25-50-24-32-15-13-12-14-16-32)18-17-35(52-42)41(8)19-20-43(55-41)23-33(45)29(5)38(53-43)30(6)37(48-9)31(7)40(46)47/h12-16,26-31,33-39,45H,11,17-25H2,1-10H3,(H,46,47)/p-1/t26-,27-,28+,29+,30-,31-,33-,34+,35+,36-,37+,38-,39+,41-,42-,43+,44-/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C1)O[C@H]3CCC(C(=O)N3C2(C)C)(C)C
InChI: InChI=1S/C17H29NO2/c1-11-6-7-12-13(10-11)20-14-8-9-16(2,3)15(19)18(14)17(12,4)5/h11-14H,6-10H2,1-5H3/t11-,12+,13-,14+/m1/s1
SMILES: CC[C@@H]1[C@@H]([C@H](O[Si](O1)(C(C)(C)C)C(C)(C)C)[C@H](C)[C@H]([C@@H](C)C(=O)[C@H](C)COCC2=CC=CC=C2)O)C
InChI: InChI=1S/C30H52O5Si/c1-12-25-21(3)28(35-36(34-25,29(6,7)8)30(9,10)11)23(5)27(32)22(4)26(31)20(2)18-33-19-24-16-14-13-15-17-24/h13-17,20-23,25,27-28,32H,12,18-19H2,1-11H3/t20-,21+,22+,23-,25-,27+,28+/m1/s1
SMILES: C/C(=C\CC/C(=C/CC/C(=C/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCC2C(O2)(C)C)O)O)O)O)O
InChI: InChI=1S/C51H94O12/c1-37(19-12-21-39(3)24-35-61-45-44(55)43(54)42(53)40(36-52)62-45)18-11-20-38(2)22-13-25-47(6,56)26-14-27-48(7,57)28-15-29-49(8,58)30-16-31-50(9,59)32-17-33-51(10,60)34-23-41-46(4,5)63-41/h19-20,24,40-45,52-60H,11-18,21-23,25-36H2,1-10H3/b37-19+,38-20+,39-24+/t40-,41?,42-,43+,44-,45-,47?,48?,49?,50?,51?/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]3[C@H]2OC(OC3)(C)C)OC)NC(=O)OC)N=[N+]=[N-])OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H36N4O14/c1-10(29)35-8-13-17(37-11(2)30)20(38-12(3)31)16(27-28-25)22(40-13)41-19-15(26-23(32)34-7)21(33-6)39-14-9-36-24(4,5)42-18(14)19/h13-22H,8-9H2,1-7H3,(H,26,32)/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1
SMILES: CC1(CC(=O)[C@@H]2[C@H](N=C(NC2=C1)NC3=NC4=CC=CC=C4O3)C5=CC(=CC=C5)Br)C
InChI: InChI=1S/C23H21BrN4O2/c1-23(2)11-16-19(17(29)12-23)20(13-6-5-7-14(24)10-13)27-21(25-16)28-22-26-15-8-3-4-9-18(15)30-22/h3-11,19-20H,12H2,1-2H3,(H2,25,26,27,28)/t19-,20-/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)NC(=S)N[C@@H]2CCCC[C@H]2NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C22H27N3OS/c1-16(17-10-4-2-5-11-17)23-22(27)25-20-15-9-8-14-19(20)24-21(26)18-12-6-3-7-13-18/h2-7,10-13,16,19-20H,8-9,14-15H2,1H3,(H,24,26)(H2,23,25,27)/t16-,19+,20+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)OC)C
InChI: InChI=1S/C18H26N2O5/c1-10-7-5-6-8-13(10)20-14(21)9-25-18(23)16-11(2)15(12(3)19-16)17(22)24-4/h10,13,19H,5-9H2,1-4H3,(H,20,21)/t10-,13+/m0/s1
SMILES: C[C@@H]([C@H](C(=O)OC)N1[C@H]([C@H](C1=O)N2C(=C(OC2=O)C3=CC=CC=C3)C4=CC=CC=C4)[C@H]5COC(O5)(C)C)O
InChI: InChI=1S/C28H30N2O8/c1-16(31)20(26(33)35-4)29-22(19-15-36-28(2,3)38-19)23(25(29)32)30-21(17-11-7-5-8-12-17)24(37-27(30)34)18-13-9-6-10-14-18/h5-14,16,19-20,22-23,31H,15H2,1-4H3/t16-,19+,20+,22-,23+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@H]([C@@H]1CCC2=O)C[C@H]4[C@@]5([C@@]3(CCC6(C5)OCCO6)C)O4
InChI: InChI=1S/C21H30O4/c1-18-6-5-15-13(14(18)3-4-16(18)22)11-17-21(25-17)12-20(23-9-10-24-20)8-7-19(15,21)2/h13-15,17H,3-12H2,1-2H3/t13-,14-,15+,17-,18-,19+,21-/m0/s1
SMILES: CC(=O)C1=CC2=C(C=C1)N[C@@H]([C@@H]3[C@H]2C=CC3)C4=CC=CC5=CC=CC=C54
InChI: InChI=1S/C24H21NO/c1-15(26)17-12-13-23-22(14-17)19-9-5-11-21(19)24(25-23)20-10-4-7-16-6-2-3-8-18(16)20/h2-10,12-14,19,21,24-25H,11H2,1H3/t19-,21+,24-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NS(=O)(=O)C2=CC=C(C=C2)Br
InChI: InChI=1S/C14H20BrNO2S/c1-10-4-3-5-14(11(10)2)16-19(17,18)13-8-6-12(15)7-9-13/h6-11,14,16H,3-5H2,1-2H3/t10-,11-,14-/m1/s1
SMILES: COC1=CC(=C(C(=C1)OC)[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)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8CCCCC8)O
InChI: InChI=1S/C40H39ClN2O7/c1-49-26-19-31(44)34(32(20-26)50-2)35-27-16-17-28-33(38(47)42(36(28)45)24-13-7-4-8-14-24)29(27)21-30-37(46)43(25-15-9-12-23(41)18-25)39(48)40(30,35)22-10-5-3-6-11-22/h3,5-6,9-12,15-16,18-20,24,28-30,33,35,44H,4,7-8,13-14,17,21H2,1-2H3/t28-,29+,30-,33-,35+,40+/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2C[NH+](CC3)C)C(=O)C4=CC5=CC=CC=C5O4
InChI: InChI=1S/C22H22N2O2/c1-14-7-8-18-16(11-14)17-13-23(2)10-9-19(17)24(18)22(25)21-12-15-5-3-4-6-20(15)26-21/h3-8,11-12,17,19H,9-10,13H2,1-2H3/p+1/t17-,19-/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)NC3=C(C=C(C=C3Cl)Cl)Cl
InChI: InChI=1S/C14H11Cl3N2O2/c15-7-5-10(16)12(11(17)6-7)18-19-13(20)8-3-1-2-4-9(8)14(19)21/h1-2,5-6,8-9,18H,3-4H2/t8-,9-/m1/s1
SMILES: C[C@]12CCC3=CC=CC=C3N([C@H]1C(=N)N(C2=O)C4=CC=CC=C4)C
InChI: InChI=1S/C20H21N3O/c1-20-13-12-14-8-6-7-11-16(14)22(2)17(20)18(21)23(19(20)24)15-9-4-3-5-10-15/h3-11,17,21H,12-13H2,1-2H3/t17-,20-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@H](NC(=O)N[C@]2(C(F)(F)F)O)C3=CC=C(C=C3)Br
InChI: InChI=1S/C18H14BrF3N2O3/c19-12-8-6-10(7-9-12)14-13(15(25)11-4-2-1-3-5-11)17(27,18(20,21)22)24-16(26)23-14/h1-9,13-14,27H,(H2,23,24,26)/t13-,14-,17+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2[C@H](CCCN2C(=O)OCC3=CC=CC=C3)N(C1=O)CC4=CC=C(C=C4)OC)O
InChI: InChI=1S/C25H30N2O5/c1-17(28)22-23-21(27(24(22)29)15-18-10-12-20(31-2)13-11-18)9-6-14-26(23)25(30)32-16-19-7-4-3-5-8-19/h3-5,7-8,10-13,17,21-23,28H,6,9,14-16H2,1-2H3/t17-,21+,22-,23-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC=C5OC)O)C(=O)N(C4=O)O)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C28H24ClFN2O7/c1-28-16(25(35)31(27(28)37)12-6-9-18(30)17(29)10-12)11-15-13(7-8-14-21(15)26(36)32(38)24(14)34)23(28)22-19(33)4-3-5-20(22)39-2/h3-7,9-10,14-16,21,23,33,38H,8,11H2,1-2H3/t14-,15+,16-,21-,23+,28+/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CC8=CC=CC=C8)I)O
InChI: InChI=1S/C40H32ClFIN3O6/c1-52-32-18-22(17-31(43)35(32)47)34-27-15-16-28-33(38(50)45(36(28)48)20-21-5-3-2-4-6-21)29(27)19-30-37(49)46(44-26-13-11-25(42)12-14-26)39(51)40(30,34)23-7-9-24(41)10-8-23/h2-15,17-18,28-30,33-34,44,47H,16,19-20H2,1H3/t28-,29+,30-,33-,34-,40+/m0/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=C(C7=CC=CC=C7C=C6)O)C8=CC=CC=C8)C9=CC=CC=C9)(O)O
InChI: InChI=1S/C44H34BNO7/c47-37-24-34(25-10-3-1-4-11-25)41(49)36-23-35-31(20-21-32-38(35)43(51)46(42(32)50)29-16-9-15-28(22-29)45(52)53)39(44(36,37)27-13-5-2-6-14-27)33-19-18-26-12-7-8-17-30(26)40(33)48/h1-20,22,24,32,35-36,38-39,48,52-53H,21,23H2/t32-,35+,36-,38-,39+,44-/m0/s1
SMILES: C1[C@H]2[C@@H]1[C@H](N(C2)C3=C(C=CC=[NH+]3)[N+](=O)[O-])C(=O)[O-]
InChI: InChI=1S/C11H11N3O4/c15-11(16)9-7-4-6(7)5-13(9)10-8(14(17)18)2-1-3-12-10/h1-3,6-7,9H,4-5H2,(H,15,16)/t6-,7-,9+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1CCC[C@@]2(O1)[C@]3(CCC[C@H](O3)CO[Si](C(C)C)(C(C)C)C(C)C)O[C@@H](CO2)C4=CC=CC=C4
InChI: InChI=1S/C38H68O6Si2/c1-27(2)45(28(3)4,29(5)6)40-24-34-20-16-22-37(42-34)38(44-36(26-39-37)33-18-14-13-15-19-33)23-17-21-35(43-38)25-41-46(30(7)8,31(9)10)32(11)12/h13-15,18-19,27-32,34-36H,16-17,20-26H2,1-12H3/t34-,35-,36-,37+,38-/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3(CC[C@@H]4[C@]([C@H]3[C@H]5[C@@](C2(C)C)(CC1=O)OC(=O)O5)(CO4)OC(=O)C)C)OC(=O)C
InChI: InChI=1S/C25H30O10/c1-11-14(28)9-25-20(33-21(30)35-25)18-23(6,8-7-15-24(18,10-31-15)34-13(3)27)19(29)17(32-12(2)26)16(11)22(25,4)5/h15,17-18,20H,7-10H2,1-6H3/t15-,17-,18+,20+,23-,24+,25-/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@H](O[C@H]1C=C)[C@@H](CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)OC(=O)C
InChI: InChI=1S/C28H36O6Si/c1-7-24-25(32-20(2)29)18-26(34-24)27(33-21(3)30)19-31-35(28(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h7-17,24-27H,1,18-19H2,2-6H3/t24-,25+,26-,27+/m0/s1
SMILES: CCCCOC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
InChI: InChI=1S/C10H18O7/c1-2-3-4-16-10(15)8-6(12)5(11)7(13)9(14)17-8/h5-9,11-14H,2-4H2,1H3/t5-,6-,7+,8-,9+/m0/s1
SMILES: CC1([C@H]2[C@@H]1[C@@H](C(=O)C=C2)COC(=O)C(C)(C)C)C
InChI: InChI=1S/C15H22O3/c1-14(2,3)13(17)18-8-9-11(16)7-6-10-12(9)15(10,4)5/h6-7,9-10,12H,8H2,1-5H3/t9-,10-,12+/m1/s1
SMILES: C[C@H]1COC(=O)CC=C[C@H]([C@@H](COC1=O)NS(=O)(=O)C2=CC=C(C=C2)C)C
InChI: InChI=1S/C19H25NO6S/c1-13-7-9-16(10-8-13)27(23,24)20-17-12-26-19(22)15(3)11-25-18(21)6-4-5-14(17)2/h4-5,7-10,14-15,17,20H,6,11-12H2,1-3H3/t14-,15+,17-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H]2CC(=O)[C@@]3([C@](C2(C)C)(O3)[C@H]([C@@H]([C@]4([C@H]1C(=CCC4)COC(=O)/C=C/C5=CC=CC=C5)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C35H42O10/c1-20(36)42-29-25-18-26(39)34(7)35(45-34,32(25,4)5)31(44-22(3)38)30(43-21(2)37)33(6)17-11-14-24(28(29)33)19-41-27(40)16-15-23-12-9-8-10-13-23/h8-10,12-16,25,28-31H,11,17-19H2,1-7H3/b16-15+/t25-,28-,29+,30-,31-,33+,34+,35-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@](C2(Cl)Cl)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C30H26Cl2O3/c1-33-25-14-8-22(9-15-25)28-29(30(28,31)32,23-10-16-26(34-2)17-11-23)24-12-18-27(19-13-24)35-20-21-6-4-3-5-7-21/h3-19,28H,20H2,1-2H3/t28-,29+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]([C@@H]2OCC=C)OC)C)OCC3=CC=CC=C3)O)OC)OCC4=CC=CC=C4
InChI: InChI=1S/C31H42O9/c1-6-17-35-29-28(26(21(3)39-31(29)34-5)37-19-23-15-11-8-12-16-23)40-30-24(32)27(33-4)25(20(2)38-30)36-18-22-13-9-7-10-14-22/h6-16,20-21,24-32H,1,17-19H2,2-5H3/t20-,21-,24+,25-,26-,27-,28+,29+,30-,31+/m0/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)N[C@H]3CCCC[C@@H]3C
InChI: InChI=1S/C19H26N2O3/c1-3-24-15-10-8-14(9-11-15)21-18(22)12-17(19(21)23)20-16-7-5-4-6-13(16)2/h8-11,13,16-17,20H,3-7,12H2,1-2H3/t13-,16-,17-/m0/s1
SMILES: C1[C@@H]2[C@H]([C@H]([C@H]1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C=CC(=C4)[N+](=O)[O-])N[C@@H]2C5=CC=CC6=CC=CC=C65
InChI: InChI=1S/C28H22ClN3O4S/c29-27-25(37-24-11-4-3-10-23(24)32(35)36)15-21-26(27)20-14-17(31(33)34)12-13-22(20)30-28(21)19-9-5-7-16-6-1-2-8-18(16)19/h1-14,21,25-28,30H,15H2/t21-,25+,26-,27+,28-/m1/s1
SMILES: C1CC[C@]23[C@@H](C1)[C@H](C4=C(N2C5=CC(=O)C=CC5=N3)CCCC4)C6=CC=CC=C6
InChI: InChI=1S/C25H26N2O/c28-18-13-14-21-23(16-18)27-22-12-5-4-10-19(22)24(17-8-2-1-3-9-17)20-11-6-7-15-25(20,27)26-21/h1-3,8-9,13-14,16,20,24H,4-7,10-12,15H2/t20-,24-,25+/m0/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[NH+]4CC[C@H]3[C@@H](C4)C=C)O
InChI: InChI=1S/C20H24N2O2/c1-3-13-11-22-9-7-15(13)18(12-22)20(23)16-6-8-21-19-5-4-14(24-2)10-17(16)19/h3-6,8,10,13,15,18,20,23H,1,7,9,11-12H2,2H3/p+1/t13-,15+,18-,20-/m1/s1
SMILES: C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)C
InChI: InChI=1S/C36H60O9/c1-19(9-13-25(38)33(4,5)43)20-15-16-34(6)24-12-10-21-22(36(24,8)26(39)17-35(20,34)7)11-14-27(32(21,2)3)45-31-30(42)29(41)28(40)23(18-37)44-31/h10,19-20,22-25,27-31,37-38,40-43H,9,11-18H2,1-8H3/t19-,20-,22-,23?,24+,25-,27+,28?,29?,30?,31?,34+,35-,36+/m1/s1
SMILES: CC(=O)[C@H]1[C@H](NC(=O)N[C@@]1(C(F)(F)F)O)C2=CC=CC=C2
InChI: InChI=1S/C13H13F3N2O3/c1-7(19)9-10(8-5-3-2-4-6-8)17-11(20)18-12(9,21)13(14,15)16/h2-6,9-10,21H,1H3,(H2,17,18,20)/t9-,10+,12+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@@H]1CC[C@@H]2O)C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4)O)C
InChI: InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-14,16-17,20,22H,3-10H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19+/m1/s1
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=CC4=CC=CC=C43)CCC(=O)N5CC[C@@]6(CCCC[C@@H]6C5)O
InChI: InChI=1S/C33H35NO5/c1-22-27-13-12-26(38-21-24-9-6-8-23-7-2-3-11-29(23)24)19-30(27)39-32(36)28(22)14-15-31(35)34-18-17-33(37)16-5-4-10-25(33)20-34/h2-3,6-9,11-13,19,25,37H,4-5,10,14-18,20-21H2,1H3/t25-,33-/m1/s1
SMILES: COC(=O)C1=CC(=O)N=C2N1[C@@H]3[C@H](O2)[C@@H]([C@H](O3)CO)O
InChI: InChI=1S/C11H12N2O7/c1-18-10(17)4-2-6(15)12-11-13(4)9-8(20-11)7(16)5(3-14)19-9/h2,5,7-9,14,16H,3H2,1H3/t5-,7-,8-,9+/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
InChI: InChI=1S/C18H16N2O2/c21-20(22)13-9-10-17-16(11-13)14-7-4-8-15(14)18(19-17)12-5-2-1-3-6-12/h1-7,9-11,14-15,18-19H,8H2/t14-,15+,18+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC=C4C(=O)OCC(=O)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C24H18N2O7/c27-19(13-7-9-16(10-8-13)26(31)32)12-33-24(30)17-3-1-2-4-18(17)25-22(28)20-14-5-6-15(11-14)21(20)23(25)29/h1-10,14-15,20-21H,11-12H2/t14-,15+,20-,21-/m0/s1
SMILES: C1=[N+](C(C(N1)C(=O)N)[O-])[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)NCCCN)O)O
InChI: InChI=1S/C13H22N5O7/c14-2-1-3-16-13(23)24-4-6-8(19)9(20)12(25-6)18-5-17-7(10(15)21)11(18)22/h5-9,11-12,19-20H,1-4,14H2,(H3,15,16,21,23)/q-1/p+1/t6-,7?,8-,9-,11?,12-/m1/s1
SMILES: C1=CC=C(C=C1)NC[C@]23C=C[C@H](O2)[C@H]4[C@H]3C(=O)N(C4=O)C5=CC=CC=C5
InChI: InChI=1S/C21H18N2O3/c24-19-17-16-11-12-21(26-16,13-22-14-7-3-1-4-8-14)18(17)20(25)23(19)15-9-5-2-6-10-15/h1-12,16-18,22H,13H2/t16-,17-,18-,21-/m0/s1
SMILES: CN(C1=C(C=CC(=N1)C(F)(F)F)Cl)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(C(=C6)Cl)O)OC)Cl)C7=CC=C(C=C7)F)Cl
InChI: InChI=1S/C34H24Cl4F4N4O6/c1-44(27-20(35)9-10-23(43-27)34(40,41)42)46-28(48)18-8-7-17-19(24(18)29(46)49)13-32(37)30(50)45(16-5-3-15(39)4-6-16)31(51)33(32,38)25(17)14-11-21(36)26(47)22(12-14)52-2/h3-7,9-12,18-19,24-25,47H,8,13H2,1-2H3/t18-,19+,24-,25-,32+,33-/m0/s1
SMILES: C1=CC=C(C=C1)C2=CN3[C@H]4[C@H]([C@@H]([C@H](O4)CO)O)OC3=NC2=N
InChI: InChI=1S/C15H15N3O4/c16-13-9(8-4-2-1-3-5-8)6-18-14-12(22-15(18)17-13)11(20)10(7-19)21-14/h1-6,10-12,14,16,19-20H,7H2/t10-,11-,12+,14-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CCCC[C@@H]2[C@H]3CC(=C4[C@]5([C@@H]3N(CCC5)CC6=CC=CC=C6)C7=CC=CC=C7N4)C(=O)OC
InChI: InChI=1S/C38H44N2O5S/c1-26-17-19-29(20-18-26)46(42,43)45-25-28-13-6-7-14-30(28)31-23-32(37(41)44-2)35-38(33-15-8-9-16-34(33)39-35)21-10-22-40(36(31)38)24-27-11-4-3-5-12-27/h3-5,8-9,11-12,15-20,28,30-31,36,39H,6-7,10,13-14,21-25H2,1-2H3/t28-,30-,31+,36+,38+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C21H30N4O3/c26-21(24-11-3-5-17-4-1-2-6-20(17)24)16-22-12-14-23(15-13-22)18-7-9-19(10-8-18)25(27)28/h7-10,17,20H,1-6,11-16H2/p+1/t17-,20-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=CC(=CC=C2)NC(=O)N
InChI: InChI=1S/C18H25N3O4/c1-11-6-3-4-9-15(11)21-16(22)12(2)25-17(23)13-7-5-8-14(10-13)20-18(19)24/h5,7-8,10-12,15H,3-4,6,9H2,1-2H3,(H,21,22)(H3,19,20,24)/t11-,12+,15-/m0/s1
SMILES: C[C@@H]([C@@H]1[C@H](N(C1=O)[C@@H](C)C2=CC=C(C=C2)OC)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C28H30N2O4/c1-19(29-28(32)34-18-21-10-6-4-7-11-21)25-26(23-12-8-5-9-13-23)30(27(25)31)20(2)22-14-16-24(33-3)17-15-22/h4-17,19-20,25-26H,18H2,1-3H3,(H,29,32)/t19-,20-,25+,26+/m0/s1
SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)C(C5)OCCO)CCC(=O)OC)C)C)C=C)C
InChI: InChI=1S/C36H42N4O4/c1-8-22-18(3)26-15-28-20(5)24(10-11-33(42)43-7)35(39-28)25-14-32(44-13-12-41)34-21(6)29(40-36(25)34)17-31-23(9-2)19(4)27(38-31)16-30(22)37-26/h8,15-17,20,24,32,37-38,41H,1,9-14H2,2-7H3/t20-,24-,32?/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=C(C=C3)O)O)O)O)O)O)O
InChI: InChI=1S/C18H26O11/c1-7-11(20)13(22)15(24)17(27-7)26-6-10-12(21)14(23)16(25)18(29-10)28-9-4-2-8(19)3-5-9/h2-5,7,10-25H,6H2,1H3/t7-,10+,11-,12+,13+,14-,15+,16+,17+,18+/m0/s1
SMILES: C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C
InChI: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
SMILES: CCN1C(=O)C2(CCN(CC2)C[C@H]3CN(C[C@@H]3C4=CC=CC=C4)C(=O)CC(C)(C)C)N(C1=O)CC(C)C
InChI: InChI=1S/C30H46N4O3/c1-7-33-27(36)30(34(28(33)37)18-22(2)3)13-15-31(16-14-30)19-24-20-32(26(35)17-29(4,5)6)21-25(24)23-11-9-8-10-12-23/h8-12,22,24-25H,7,13-21H2,1-6H3/t24-,25+/m0/s1
SMILES: CC(=O)N([C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C6=N[C@H]7[C@@H](O6)[C@@H]([C@H]([C@]7(COC(=O)C)O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C49H54N2O14/c1-31(52)51(48-50-45-42(65-48)43(62-33(3)54)46(63-34(4)55)49(45,56)30-61-32(2)53)47-44(60-28-38-23-15-8-16-24-38)41(59-27-37-21-13-7-14-22-37)40(58-26-36-19-11-6-12-20-36)39(64-47)29-57-25-35-17-9-5-10-18-35/h5-24,39-47,56H,25-30H2,1-4H3/t39-,40-,41+,42+,43+,44-,45+,46-,47+,49-/m1/s1
SMILES: CC(=O)N1C[C@@H](OC2=CC=CC=C21)C(=O)N3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C20H26N2O3/c1-14(23)22-13-19(25-18-9-5-4-8-17(18)22)20(24)21-11-10-15-6-2-3-7-16(15)12-21/h4-5,8-9,15-16,19H,2-3,6-7,10-13H2,1H3/t15-,16+,19+/m0/s1
SMILES: C1C=CC[C@H]([C@@H]1C(=O)NC2=CC(=C(C=C2)F)Cl)C(=O)O
InChI: InChI=1S/C14H13ClFNO3/c15-11-7-8(5-6-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h1-2,5-7,9-10H,3-4H2,(H,17,18)(H,19,20)/t9-,10-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)[C@H](C)OC(=O)C)CN5CCCCC5
InChI: InChI=1S/C36H44N2O6/c1-24-33(22-38-17-5-4-6-18-38)43-36(44-34(24)29-15-13-27(23-39)14-16-29)32-12-8-11-31(20-32)30-10-7-9-28(19-30)21-37-35(41)25(2)42-26(3)40/h7-16,19-20,24-25,33-34,36,39H,4-6,17-18,21-23H2,1-3H3,(H,37,41)/t24-,25+,33+,34+,36+/m1/s1
SMILES: CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CC[C@@H]4CCCC[C@H]4C3
InChI: InChI=1S/C19H25N3OS/c1-13-6-7-16-17(10-13)21-19(20-16)24-12-18(23)22-9-8-14-4-2-3-5-15(14)11-22/h6-7,10,14-15H,2-5,8-9,11-12H2,1H3,(H,20,21)/t14-,15-/m0/s1
SMILES: CC1=CC=CC=C1C[NH+](C)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C18H22N2O2/c1-13-7-3-4-8-14(13)11-19(2)12-20-17(21)15-9-5-6-10-16(15)18(20)22/h3-8,15-16H,9-12H2,1-2H3/p+1/t15-,16+
SMILES: C1=CC(=CN=C1)C(=O)[C@@H]2[C@@H](NC(=O)N[C@@]2(C(F)(F)F)O)C3=CC=C(C=C3)F
InChI: InChI=1S/C17H13F4N3O3/c18-11-5-3-9(4-6-11)13-12(14(25)10-2-1-7-22-8-10)16(27,17(19,20)21)24-15(26)23-13/h1-8,12-13,27H,(H2,23,24,26)/t12-,13-,16+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@]2(CC3C4=CC=CC=C4C2C5=CC=CC=C35)[S@@](=O)C6=CC=CC=C6OC)C(C)C
InChI: InChI=1S/C34H38O4S/c1-21(2)23-18-17-22(3)19-30(23)38-33(35)34(39(36)31-16-10-9-15-29(31)37-4)20-28-24-11-5-7-13-26(24)32(34)27-14-8-6-12-25(27)28/h5-16,21-23,28,30,32H,17-20H2,1-4H3/t22-,23+,28?,30-,32?,34-,39+/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=C(C=C3)Cl)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H15ClN2O2/c19-12-7-8-17-16(10-12)14-5-2-6-15(14)18(20-17)11-3-1-4-13(9-11)21(22)23/h1-5,7-10,14-15,18,20H,6H2/t14-,15-,18+/m0/s1
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@H]([C@H](O2)CO)CO)O)I
InChI: InChI=1S/C10H13IN2O6/c11-5-1-13(10(18)12-8(5)17)9-7(16)4(2-14)6(3-15)19-9/h1,4,6-7,9,14-16H,2-3H2,(H,12,17,18)/t4-,6+,7-,9+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCCOC)C(=O)OC3=CC4=CC=CC=C4C=C3)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC(=CC=C6)C(F)(F)F)C
InChI: InChI=1S/C45H50F3NO6/c1-30-9-7-21-43(2)40(38-19-15-31(25-36(50)17-14-30)26-39(38)41(51)34-12-6-13-35(27-34)45(46,47)48)20-22-44(43,53)29-49(23-8-24-54-3)42(52)55-37-18-16-32-10-4-5-11-33(32)28-37/h4-6,9-13,15-16,18-19,26-28,36,40,50,53H,7-8,14,17,20-25,29H2,1-3H3/t36-,40-,43-,44+/m0/s1
SMILES: COC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)NC(=O)[C@@]34[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NCC=C
InChI: InChI=1S/C47H41N3O7/c1-3-25-48-44(52)39-41-45(53)57-42(33-13-8-5-9-14-33)40(32-11-6-4-7-12-32)50(41)43(34-15-10-16-36(29-34)56-27-26-51)47(39)37-28-31(21-24-38(37)49-46(47)54)18-17-30-19-22-35(55-2)23-20-30/h3-16,19-24,28-29,39-43,51H,1,25-27H2,2H3,(H,48,52)(H,49,54)/t39-,40-,41-,42+,43+,47-/m1/s1
SMILES: COC1=CC=CC2=C1CC[C@@H]3[C@H]2CN(C3)CCN4C(=O)C5=NC=CN=C5NC4=O
InChI: InChI=1S/C21H23N5O3/c1-29-17-4-2-3-14-15(17)6-5-13-11-25(12-16(13)14)9-10-26-20(27)18-19(24-21(26)28)23-8-7-22-18/h2-4,7-8,13,16H,5-6,9-12H2,1H3,(H,23,24,28)/t13-,16+/m0/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC[C@@H](CN2CCN(CC2)C3=CC=C(C=C3)F)O)C(C)C
InChI: InChI=1S/C23H37FN2O2/c1-17(2)22-9-4-18(3)14-23(22)28-16-21(27)15-25-10-12-26(13-11-25)20-7-5-19(24)6-8-20/h5-8,17-18,21-23,27H,4,9-16H2,1-3H3/t18-,21+,22-,23+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)N)OCCCC=C)COCC3=CC=CC=C3
InChI: InChI=1S/C27H35NO6/c1-3-4-11-16-31-27-24(28)26(32-18-22-14-9-6-10-15-22)25(33-20(2)29)23(34-27)19-30-17-21-12-7-5-8-13-21/h3,5-10,12-15,23-27H,1,4,11,16-19,28H2,2H3/t23-,24-,25-,26-,27-/m1/s1
SMILES: CC1=NN(C=C1/C=C\2/C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](CC[C@@]5([C@@H]4CC[C@@]3(C2=O)C)C)O)C
InChI: InChI=1S/C25H36N2O2/c1-15-17(14-27(4)26-15)11-16-12-22-20-6-5-18-13-19(28)7-9-24(18,2)21(20)8-10-25(22,3)23(16)29/h11,14,18-22,28H,5-10,12-13H2,1-4H3/b16-11-/t18-,19-,20-,21-,22+,24+,25+/m1/s1
SMILES: CC1(O[C@H]2[C@@H]([C@@H]([C@@H]([C@H]2O1)OC)OC=O)CI)C
InChI: InChI=1S/C11H17IO5/c1-11(2)16-8-6(4-12)7(15-5-13)9(14-3)10(8)17-11/h5-10H,4H2,1-3H3/t6-,7+,8+,9+,10+/m1/s1
SMILES: C[C@H]1C[C@@H]1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3
InChI: InChI=1S/C16H22N2O3S/c1-12-11-15(12)16(19)17-13-5-7-14(8-6-13)22(20,21)18-9-3-2-4-10-18/h5-8,12,15H,2-4,9-11H2,1H3,(H,17,19)/t12-,15-/m0/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC(=C(C=C8)OC)O)C(=O)N(C7=O)C)C
InChI: InChI=1S/C36H33ClN4O6S/c1-16-21-13-18(37)7-11-27(21)48-31(16)24-15-28(40(4)38-24)41-33(44)23-14-22-19(8-9-20-29(22)34(45)39(3)32(20)43)30(36(23,2)35(41)46)17-6-10-26(47-5)25(42)12-17/h6-8,10-13,15,20,22-23,29-30,42H,9,14H2,1-5H3/t20-,22+,23-,29-,30-,36+/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C(=CC[C@@]3([C@]2(C(=O)C(=C(C3=O)Cl)Cl)Cl)Cl)C=C)O
InChI: InChI=1S/C20H16Cl4O4/c1-3-10-7-8-19(23)17(26)15(21)16(22)18(27)20(19,24)14(10)11-5-6-12(25)13(9-11)28-4-2/h3,5-7,9,14,25H,1,4,8H2,2H3/t14-,19-,20+/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@@H]3C6=CC=C(C=C6)F
InChI: InChI=1S/C29H20FNO7/c1-2-37-28(36)16-9-13-18(14-10-16)31-26(34)21-22(27(31)35)29(38-23(21)15-7-11-17(30)12-8-15)24(32)19-5-3-4-6-20(19)25(29)33/h3-14,21-23H,2H2,1H3/t21-,22-,23+/m0/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H]5[C@H]4O5)C)O
InChI: InChI=1S/C19H30O2/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16-17(19)21-16/h11-17,20H,3-10H2,1-2H3/t11-,12+,13+,14-,15-,16+,17+,18-,19-/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)NC5=CC=C(C=C5)OC6=CC=CC=C6)CN7CC8(CC7CC(C8)(C)C)C
InChI: InChI=1S/C49H55N3O5/c1-33-44(29-52-32-49(4)27-40(52)26-48(2,3)31-49)56-46(57-45(33)36-16-14-34(30-53)15-17-36)37-20-18-35(19-21-37)43-13-9-8-10-38(43)28-50-47(54)51-39-22-24-42(25-23-39)55-41-11-6-5-7-12-41/h5-25,33,40,44-46,53H,26-32H2,1-4H3,(H2,50,51,54)/t33-,40?,44+,45+,46+,49?/m0/s1