EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)C3=CC4=CC=CC=C4S3)CO)O)O
InChI: InChI=1S/C18H18N2O5S/c1-18(24)15(22)12(9-21)25-16(18)20-7-6-11(19-17(20)23)14-8-10-4-2-3-5-13(10)26-14/h2-8,12,15-16,21-22,24H,9H2,1H3/t12-,15-,16-,18-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OCC[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C[C@H]2C(=O)C=C[C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)O)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C52H68O9Si/c1-37(2)62(38(3)4,39(5)6)59-30-29-46-51(57-34-42-23-15-9-16-24-42)52(58-35-43-25-17-10-18-26-43)50(54)48(60-46)31-47-44(53)27-28-45(56-33-41-21-13-8-14-22-41)49(61-47)36-55-32-40-19-11-7-12-20-40/h7-28,37-39,45-52,54H,29-36H2,1-6H3/t45-,46-,47-,48+,49+,50+,51-,52-/m0/s1
SMILES: CCC1C(NCC(/C(=N/OC=C)/[C@@H](C[C@]([C@@H]([C@H](C([C@H](C(=O)O1)C)CC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)O)C)C)C
InChI: InChI=1S/C39H62N4O10/c1-12-33-27(9)41-20-22(4)34(42-50-13-2)21(3)19-39(10,47)36(53-38-35(45)30(40-11)17-23(5)51-38)25(7)29(26(8)37(46)52-33)18-32(44)28-15-14-16-31(24(28)6)43(48)49/h13-16,21-23,25-27,29-30,33,35-36,38,40-41,45,47H,2,12,17-20H2,1,3-11H3/b42-34+/t21-,22?,23-,25+,26-,27?,29?,30+,33?,35-,36-,38+,39+/m1/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C#CCN(C)C)N)O)O
InChI: InChI=1S/C17H23N7O4/c1-4-19-16(27)13-11(25)12(26)17(28-13)24-8-20-10-14(18)21-9(22-15(10)24)6-5-7-23(2)3/h8,11-13,17,25-26H,4,7H2,1-3H3,(H,19,27)(H2,18,21,22)/t11-,12+,13-,17+/m0/s1
SMILES: C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Cl-]
InChI: InChI=1S/C19H22NO4S2.ClH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11?,12-,13+,16-,17+;
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(=O)CCC(=O)O)O
InChI: InChI=1S/C26H40N7O20P3S/c1-26(2,20(39)23(40)29-6-5-15(35)28-7-8-57-25(41)13(34)3-4-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-19(52-54(42,43)44)18(38)24(51-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-12,14,18-20,24,38-39H,3-10H2,1-2H3,(H,28,35)(H,29,40)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t14-,18-,19-,20+,24-/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@H]([C@@H]3CC2)CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)CC(C)(C)C(=O)O)C)COC(=O)C(C)(C)CC(=O)O
InChI: InChI=1S/C40H62O8/c1-23(2)24-14-18-40(22-47-35(46)37(5,6)20-31(41)42)19-15-25-26-11-13-29-38(7,8)30(48-32(43)21-36(3,4)34(44)45)16-17-39(29,9)28(26)12-10-27(25)33(24)40/h24-30,33H,1,10-22H2,2-9H3,(H,41,42)(H,44,45)/t24-,25-,26-,27-,28-,29-,30-,33+,39+,40+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COCO[C@@H]2[C@H]([C@@H]3[C@@H](CO[C@@H](O3)C4=CC=CC=C4)O[C@@H]2O)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C44H51NO12/c1-29(46)45-36-39(51-24-31-17-9-4-10-18-31)37(50-23-30-15-7-3-8-16-30)34(56-44(36)48-2)26-49-28-54-41-40(52-25-32-19-11-5-12-20-32)38-35(55-42(41)47)27-53-43(57-38)33-21-13-6-14-22-33/h3-22,34-44,47H,23-28H2,1-2H3,(H,45,46)/t34-,35-,36-,37-,38+,39-,40+,41-,42+,43+,44-/m1/s1
SMILES: C[C@@H]1[C@H]2C3=C(C(=CC=C3)OC)O[C@@H]1C4=CC=CC=C4O2
InChI: InChI=1S/C17H16O3/c1-10-15-11-6-3-4-8-13(11)19-16(10)12-7-5-9-14(18-2)17(12)20-15/h3-10,15-16H,1-2H3/t10-,15-,16-/m0/s1
SMILES: C[C@@H]1CC[C@]23[C@H]1CC[C@]2(C[C@]([C@H]3C)(C)O)C
InChI: InChI=1S/C15H26O/c1-10-5-8-15-11(2)14(4,16)9-13(15,3)7-6-12(10)15/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15+/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C(N[C@@H]3C(=O)OC)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C27H24N2O5/c1-33-20-15-13-19(14-16-20)29-24(30)21-22(25(29)31)27(17-9-5-3-6-10-17,18-11-7-4-8-12-18)28-23(21)26(32)34-2/h3-16,21-23,28H,1-2H3/t21-,22-,23-/m0/s1
SMILES: COC1=C(C=CC(=C1)O)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C8=CC=CC=C8
InChI: InChI=1S/C37H27Cl2F3N6O6/c1-54-29-16-23(49)11-12-25(29)30-24-13-14-45-34(52)46(22-5-3-2-4-6-22)35(53)48(45)28(24)17-26-32(50)47(33(51)36(26,30)19-7-9-21(38)10-8-19)44-31-27(39)15-20(18-43-31)37(40,41)42/h2-13,15-16,18,26,28,30,49H,14,17H2,1H3,(H,43,44)/t26-,28+,30+,36+/m0/s1
SMILES: C[C@]([C@@H]1CCC(=O)[C@@H]1CC2=CC=CC=C2)(C(=O)OC)N
InChI: InChI=1S/C16H21NO3/c1-16(17,15(19)20-2)13-8-9-14(18)12(13)10-11-6-4-3-5-7-11/h3-7,12-13H,8-10,17H2,1-2H3/t12-,13-,16+/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=N)C(Cl)(Cl)Cl)N3C(=O)C4=CC=CC=C4C3=O)OCC5=CC=CC=C5)OC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68
InChI: InChI=1S/C45H37Cl3N2O9/c46-45(47,48)43(49)59-42-37(50-40(51)33-21-11-12-22-34(33)41(50)52)39(55-24-28-15-5-2-6-16-28)38(36(57-42)26-54-23-27-13-3-1-4-14-27)58-44(53)56-25-35-31-19-9-7-17-29(31)30-18-8-10-20-32(30)35/h1-22,35-39,42,49H,23-26H2/t36-,37-,38-,39-,42+/m1/s1
SMILES: CN1CC[C@]2([C@@H]1CC(=O)CC2)C3=CC(=C(C=C3)OC)OC.Cl
InChI: InChI=1S/C17H23NO3.ClH/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3;/h4-5,10,16H,6-9,11H2,1-3H3;1H/t16-,17-;/m0./s1
SMILES: CCOP(=O)(C(C[C@@H]1[C@H]([C@H](C(O1)OC(=O)C)OC(=O)C)OCC2=CC=CC=C2)(F)F)OCC
InChI: InChI=1S/C21H29F2O9P/c1-5-28-33(26,29-6-2)21(22,23)12-17-18(27-13-16-10-8-7-9-11-16)19(30-14(3)24)20(32-17)31-15(4)25/h7-11,17-20H,5-6,12-13H2,1-4H3/t17-,18-,19-,20?/m1/s1
SMILES: CC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCC[C@@H]3[C@@H]2CCCC3)[N+](=O)[O-]
InChI: InChI=1S/C19H24N2O5/c1-13-11-15(8-9-16(13)21(24)25)19(23)26-12-18(22)20-10-4-6-14-5-2-3-7-17(14)20/h8-9,11,14,17H,2-7,10,12H2,1H3/t14-,17+/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@H](C3=C(C(=CC=C3)OC)C(=O)O2)Br)OC
InChI: InChI=1S/C18H17BrO5/c1-21-12-8-7-10(9-14(12)23-3)17-16(19)11-5-4-6-13(22-2)15(11)18(20)24-17/h4-9,16-17H,1-3H3/t16-,17+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1CC(O[C@@H]1CO[Si](C)(C)C(C)(C)C)N2C=CC(=O)NC2=O
InChI: InChI=1S/C22H42N2O5Si2/c1-21(2,3)30(7,8)27-14-16-13-19(24-12-11-18(25)23-20(24)26)29-17(16)15-28-31(9,10)22(4,5)6/h11-12,16-17,19H,13-15H2,1-10H3,(H,23,25,26)/t16-,17-,19?/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CC(=CC[C@@H]1C2=CC(=C(C=C2F)F)F)C(=O)OC
InChI: InChI=1S/C19H22F3NO4/c1-19(2,3)27-18(25)23-16-7-10(17(24)26-4)5-6-11(16)12-8-14(21)15(22)9-13(12)20/h5,8-9,11,16H,6-7H2,1-4H3,(H,23,25)/t11-,16+/m1/s1
SMILES: C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@H]1N)OC5=C(C=C4)O)O
InChI: InChI=1S/C20H26N2O3/c21-13-5-6-20(24)15-9-12-3-4-14(23)17-16(12)19(20,18(13)25-17)7-8-22(15)10-11-1-2-11/h3-4,11,13,15,18,23-24H,1-2,5-10,21H2/t13-,15+,18-,19-,20+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=S)O1
InChI: InChI=1S/C10H14O5S/c1-4-5-6(13-9(16)11-4)7-8(12-5)15-10(2,3)14-7/h4-8H,1-3H3/t4-,5-,6+,7-,8-/m1/s1
SMILES: C[C@]12CCCCC1=CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@H]3C[C@H]([C@H]4O)F)C)O
InChI: InChI=1S/C19H29FO2/c1-18-8-4-3-5-11(18)6-7-12-13-9-14(20)17(22)19(13,2)10-15(21)16(12)18/h6,12-17,21-22H,3-5,7-10H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19-/m0/s1
SMILES: CCC[C@H]1[C@H](N[C@@H](CC1=NO)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C20H24N2O/c1-2-9-17-19(22-23)14-18(15-10-5-3-6-11-15)21-20(17)16-12-7-4-8-13-16/h3-8,10-13,17-18,20-21,23H,2,9,14H2,1H3/t17-,18+,20-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NC(=O)C4=CC=CS4)Cl
InChI: InChI=1S/C19H17ClN2O3S/c20-14-10-11(7-8-15(14)21-17(23)16-6-3-9-26-16)22-18(24)12-4-1-2-5-13(12)19(22)25/h3,6-10,12-13H,1-2,4-5H2,(H,21,23)/t12-,13-/m1/s1
SMILES: CCC1=CC=CC=C1NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3
InChI: InChI=1S/C17H19NO3/c1-2-10-5-3-4-6-13(10)18-16(19)14-11-7-8-12(9-11)15(14)17(20)21/h3-8,11-12,14-15H,2,9H2,1H3,(H,18,19)(H,20,21)/p-1/t11-,12+,14+,15+/m1/s1
SMILES: CC(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3[NH+]1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC(=CC(=C5)Cl)Cl
InChI: InChI=1S/C22H16Cl2N2O3/c1-11(27)19-17-18(20-16-5-3-2-4-12(16)6-7-25(19)20)22(29)26(21(17)28)15-9-13(23)8-14(24)10-15/h2-10,17-20H,1H3/p+1/t17-,18+,19-,20-/m1/s1
SMILES: CC1=CC=C(O1)C(=O)N[C@@H]2[C@H]3N(C2=O)[C@@H](C(S3)(C)C)C(=O)O
InChI: InChI=1S/C14H16N2O5S/c1-6-4-5-7(21-6)10(17)15-8-11(18)16-9(13(19)20)14(2,3)22-12(8)16/h4-5,8-9,12H,1-3H3,(H,15,17)(H,19,20)/t8-,9+,12-/m0/s1
SMILES: CC(=CCC1=C2C(=C(C3=C1O[C@@]45[C@H]6C[C@@H]([C@@H]([C@H]4C3=O)OC)C(=O)[C@@]5(OC6(C)C)C/C=C(\C)/C=O)O)C=CC(O2)(C)C)C
InChI: InChI=1S/C34H40O8/c1-17(2)9-10-20-27-19(12-13-31(4,5)40-27)25(36)23-26(37)24-29(39-8)21-15-22-32(6,7)42-33(30(21)38,14-11-18(3)16-35)34(22,24)41-28(20)23/h9,11-13,16,21-22,24,29,36H,10,14-15H2,1-8H3/b18-11+/t21-,22-,24+,29-,33-,34-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN2C(=O)[C@@](NC2=O)(C)C3=CC=C(C=C3)C(C)C
InChI: InChI=1S/C23H33N3O3/c1-14(2)17-9-11-18(12-10-17)23(5)21(28)26(22(29)25-23)13-20(27)24-19-8-6-7-15(3)16(19)4/h9-12,14-16,19H,6-8,13H2,1-5H3,(H,24,27)(H,25,29)/t15-,16+,19-,23+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](C[C@H]1OC(=O)C)(C(=O)OC)O)NC(=O)C(F)(F)F
InChI: InChI=1S/C14H19F3N2O7/c1-6(20)18-10-8(19-11(22)14(15,16)17)4-13(24,12(23)25-3)5-9(10)26-7(2)21/h8-10,24H,4-5H2,1-3H3,(H,18,20)(H,19,22)/t8-,9+,10+,13-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC=CC=C5OCCO)C(=O)N(C4=O)C(=O)OC)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C31H30N2O8/c1-31-22(27(36)32(29(31)38)17-8-4-3-5-9-17)16-21-18(25(31)19-10-6-7-11-23(19)41-15-14-34)12-13-20-24(21)28(37)33(26(20)35)30(39)40-2/h3-12,20-22,24-25,34H,13-16H2,1-2H3/t20-,21+,22-,24-,25+,31+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=C([C@@H]3[C@H]2[C@H]4CC[C@@H]3C4)C5=CC=CC=C5
InChI: InChI=1S/C22H22O2S/c1-14-7-11-18(12-8-14)25(23,24)22-20(15-5-3-2-4-6-15)19-16-9-10-17(13-16)21(19)22/h2-8,11-12,16-17,19,21H,9-10,13H2,1H3/t16-,17+,19-,21-/m1/s1
SMILES: C[C@]12C[C@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O
InChI: InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17+,19+,21-,22-,23-,24+/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)[C@]23C[C@@H]4[C@H]5[C@@H]([C@H]2ON([C@H]3C(=O)O4)CC6=CC=C(C=C6)C=CC7CCC8C(C7)O8)OC(O5)(C9CC9)C1CC1
InChI: InChI=1S/C45H59N3O11/c1-43(2,3)56-35(50)19-17-30(24-49)46-40(51)31-5-4-20-47(31)42(53)44-22-34-36-37(58-45(57-36,28-13-14-28)29-15-16-29)39(44)59-48(38(44)41(52)55-34)23-27-10-7-25(8-11-27)6-9-26-12-18-32-33(21-26)54-32/h6-11,26,28-34,36-39,49H,4-5,12-24H2,1-3H3,(H,46,51)/t26?,30-,31+,32?,33?,34+,36-,37-,38-,39+,44-/m0/s1
SMILES: CC1=C2[C@@H]([C@H]([C@](CC2=NN1)(C)O)C(=O)C)C3=CC(=CC=C3)F
InChI: InChI=1S/C17H19FN2O2/c1-9-14-13(20-19-9)8-17(3,22)16(10(2)21)15(14)11-5-4-6-12(18)7-11/h4-7,15-16,22H,8H2,1-3H3,(H,19,20)/t15-,16+,17+/m0/s1
SMILES: CCOC(=O)CNC(=O)C1=CC=CC(=C1)C2=C3C[C@H]4C[C@H]5[C@@H](C(=O)C(C(=O)[C@]5(C(=O)C4C(=O)C3=C(C=C2)O)O)C(=O)N)N(C)C
InChI: InChI=1S/C32H33N3O10/c1-4-45-21(37)13-34-31(43)15-7-5-6-14(10-15)17-8-9-20(36)23-18(17)11-16-12-19-25(35(2)3)27(39)24(30(33)42)29(41)32(19,44)28(40)22(16)26(23)38/h5-10,16,19,22,24-25,36,44H,4,11-13H2,1-3H3,(H2,33,42)(H,34,43)/t16-,19-,22?,24?,25-,32-/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@H]([C@@H](C3=CC(=C(C=C23)OC)OC)CC4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br)OC
InChI: InChI=1S/C32H30Br2O4/c1-35-27-14-9-21(16-28(27)36-2)32-26-18-30(38-4)29(37-3)17-24(26)25(15-19-5-10-22(33)11-6-19)31(32)20-7-12-23(34)13-8-20/h5-14,16-18,25,31-32H,15H2,1-4H3/t25-,31+,32+/m1/s1
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=O)[C@H]2CCCC[C@H]2C(=O)O
InChI: InChI=1S/C17H23NO5S/c1-4-23-17(22)13-9(2)10(3)24-15(13)18-14(19)11-7-5-6-8-12(11)16(20)21/h11-12H,4-8H2,1-3H3,(H,18,19)(H,20,21)/t11-,12+/m0/s1
SMILES: CCCCCCC#C[C@@H]1C=C[C@@H]([C@H](O1)COC(=O)OCC)OC(=O)OCC
InChI: InChI=1S/C20H30O7/c1-4-7-8-9-10-11-12-16-13-14-17(27-20(22)24-6-3)18(26-16)15-25-19(21)23-5-2/h13-14,16-18H,4-10,15H2,1-3H3/t16-,17+,18-/m1/s1
SMILES: CC(=O)C[C@H]1[C@@H]2N(C1=O)C(=C(S2)CC3CCC(=O)O3)C(=O)OCC=C
InChI: InChI=1S/C17H19NO6S/c1-3-6-23-17(22)14-12(8-10-4-5-13(20)24-10)25-16-11(7-9(2)19)15(21)18(14)16/h3,10-11,16H,1,4-8H2,2H3/t10?,11-,16-/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)OC(=O)C2=CC=CC=C2)O)O
InChI: InChI=1S/C14H18O7/c1-19-14-11(17)10(16)12(9(7-15)20-14)21-13(18)8-5-3-2-4-6-8/h2-6,9-12,14-17H,7H2,1H3/t9-,10-,11+,12-,14+/m1/s1
SMILES: C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
InChI: InChI=1S/C19H28O2/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/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1
SMILES: CC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC(=CC=C3)OC
InChI: InChI=1S/C21H19N5O2/c1-13(27)26-7-6-16-17(9-22)20(25)21(11-23,12-24)19(18(16)10-26)14-4-3-5-15(8-14)28-2/h3-6,8,17-19,25H,7,10H2,1-2H3/t17?,18-,19+/m0/s1
SMILES: COC(=O)[C@H]1C[C@]2(C3=C(C=CC(=C3)N)NC2=O)N4[C@@H]1CCC4
InChI: InChI=1S/C16H19N3O3/c1-22-14(20)10-8-16(19-6-2-3-13(10)19)11-7-9(17)4-5-12(11)18-15(16)21/h4-5,7,10,13H,2-3,6,8,17H2,1H3,(H,18,21)/t10-,13+,16+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H](C(=O)N1)NC(=O)[C@H](CC2CCCCC2)NC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C22H29N3O6/c1-14(26)31-21-18(20(28)25-21)24-19(27)17(12-15-8-4-2-5-9-15)23-22(29)30-13-16-10-6-3-7-11-16/h3,6-7,10-11,15,17-18,21H,2,4-5,8-9,12-13H2,1H3,(H,23,29)(H,24,27)(H,25,28)/t17-,18+,21-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC.CN(C)C(=N)N=C(N)N
InChI: InChI=1S/C24H30O6.C4H11N5/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17;1-9(2)4(7)8-3(5)6/h10,15-17,19H,4-9,11-12H2,1-3H3;1-2H3,(H5,5,6,7,8)/t15-,16+,17-,19+,21+,22+,23-,24-;/m1./s1
SMILES: CCC(=O)N1[C@@H]2CC[C@]3(CCCN4[C@H]3[C@]2(CC4)C5=C1C(=CC=C5)O)CCO
InChI: InChI=1S/C22H30N2O3/c1-2-18(27)24-17-7-9-21(11-14-25)8-4-12-23-13-10-22(17,20(21)23)15-5-3-6-16(26)19(15)24/h3,5-6,17,20,25-26H,2,4,7-14H2,1H3/t17-,20-,21-,22-/m1/s1
SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)[C@H]4[C@@H](C([C@H]5N4C=CC6=CC=CC=C56)(C#N)C#N)C7=CC=CC=C7I
InChI: InChI=1S/C31H28IN3O/c32-25-8-4-3-7-24(25)26-27(29(36)30-14-19-11-20(15-30)13-21(12-19)16-30)35-10-9-22-5-1-2-6-23(22)28(35)31(26,17-33)18-34/h1-10,19-21,26-28H,11-16H2/t19?,20?,21?,26-,27+,28-,30?/m0/s1
SMILES: C=C1CC[C@]2([C@H]3CC4=C5[C@@]2([C@@H]1OC5=C(C=C4)O)CCN3CC6CC6)O
InChI: InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19-,20-,21-/m1/s1
SMILES: C[C@H]1CC2=C([C@H](C(=C(N2)C)C(=O)OC3CCCC3)C4=CC=CC=C4C)C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C26H31NO5/c1-14-9-5-8-12-18(14)22-21(26(30)32-17-10-6-7-11-17)16(3)27-19-13-15(2)20(25(29)31-4)24(28)23(19)22/h5,8-9,12,15,17,20,22,27H,6-7,10-11,13H2,1-4H3/t15-,20-,22-/m0/s1
SMILES: COC1=C(C=C2C(=C1)C(=C3C(=C2O[C@H]4[C@@H]([C@](CO4)(CO)O)O[C@@H]5[C@H]([C@@H]([C@@H](CO5)O)O)O)COC3=O)C6=CC7=C(C=C6)OCO7)OC
InChI: InChI=1S/C31H32O15/c1-38-19-6-14-15(7-20(19)39-2)26(16-8-40-28(36)23(16)22(14)13-3-4-18-21(5-13)44-12-43-18)45-30-27(31(37,10-32)11-42-30)46-29-25(35)24(34)17(33)9-41-29/h3-7,17,24-25,27,29-30,32-35,37H,8-12H2,1-2H3/t17-,24-,25+,27+,29-,30+,31-/m1/s1
SMILES: C1CCCC(CC1)NC(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H28N2O5/c23-17(21-14-7-3-1-2-4-8-14)13-27-18(24)11-12-22-19(25)15-9-5-6-10-16(15)20(22)26/h5-6,14-16H,1-4,7-13H2,(H,21,23)/t15-,16-/m0/s1
SMILES: C[C@@]1(C=C(CC[C@@H]1OCC2=CC=CC=C2)CCl)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H35ClO2Si/c1-21(2,3)26(5,6)25-17-22(4)14-19(15-23)12-13-20(22)24-16-18-10-8-7-9-11-18/h7-11,14,20H,12-13,15-17H2,1-6H3/t20-,22+/m0/s1
SMILES: C/C/1=C/2\[C@@]([C@@H](C(=CC3=NC(=C(C4=N[C@H]([C@@H]([C@@]4(C)CCC(=O)O)CC(=O)O)[C@]5([C@@]([C@@H](C1=N5)CCC(=O)O)(C)CC(=O)O)C)C)[C@H](C3(C)C)CCC(=O)O)N2)CCC(=O)O)(C)CC(=O)O
InChI: InChI=1S/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,23-26,40,46H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b27-18?,36-21?,39-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1
SMILES: C[C@H]([C@@H]1C[C@@H]2CC[C@H]1C2)NC(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C16H20FNO/c1-10(15-9-11-2-3-13(15)8-11)18-16(19)12-4-6-14(17)7-5-12/h4-7,10-11,13,15H,2-3,8-9H2,1H3,(H,18,19)/t10-,11-,13+,15+/m1/s1
SMILES: CC1([C@H]2CC[C@@]13CS(=O)(=O)N([C@H]3C2)/C(=C/[N+](=C)CC4=CC=CC=C4)/O)C
InChI: InChI=1S/C20H26N2O3S/c1-19(2)16-9-10-20(19)14-26(24,25)22(17(20)11-16)18(23)13-21(3)12-15-7-5-4-6-8-15/h4-8,13,16-17H,3,9-12,14H2,1-2H3/p+1/b18-13-/t16-,17-,20-/m0/s1
SMILES: CC(=O)CCCC(=O)N(CC(F)(F)F)[C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)C=O)C(=O)NCCO
InChI: InChI=1S/C25H29F3N2O8/c1-13(33)4-3-5-19(34)30(12-25(26,27)28)17-10-16(24(36)29-6-7-31)20-15-8-14(11-32)9-18(37-2)22(15)38-23(20)21(17)35/h8-11,17,20-21,23,31,35H,3-7,12H2,1-2H3,(H,29,36)/t17-,20+,21+,23+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@](O2)(C3=NC(CO3)(C)C)[C@H](C4=CC=CC=C4)O
InChI: InChI=1S/C21H23NO3/c1-14-9-11-16(12-10-14)18-21(25-18,19-22-20(2,3)13-24-19)17(23)15-7-5-4-6-8-15/h4-12,17-18,23H,13H2,1-3H3/t17-,18+,21-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](C(=NO2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H19NO3/c1-26-19-14-12-18(13-15-19)23-20(22(25)17-10-6-3-7-11-17)21(24-27-23)16-8-4-2-5-9-16/h2-15,20,23H,1H3/t20-,23-/m1/s1
SMILES: C[C@H](CCC(=O)NCCS(=O)(=S)O)[C@H]1CCC2[C@@]1(CCC3C2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C26H45NO5S2/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20?,21?,22+,24?,25+,26-/m1/s1
SMILES: CC1=CC=C(C=C1)OC[C@@H]2[C@H](C[C@@H](O2)CN)OC3=CC=C(C=C3)C
InChI: InChI=1S/C20H25NO3/c1-14-3-7-16(8-4-14)22-13-20-19(11-18(12-21)24-20)23-17-9-5-15(2)6-10-17/h3-10,18-20H,11-13,21H2,1-2H3/t18-,19+,20-/m1/s1
SMILES: CCCCCCCCCCCC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOCC)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]3(OC6=C5C=C(C=C6)O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C52H72N2O7/c1-4-7-8-9-10-11-12-13-14-28-49(58)54(37-40-25-21-24-38-22-15-16-26-42(38)40)48-36-46(53-60-6-3)44-34-39(23-17-19-31-55)43(27-18-20-32-56)50-45-35-41(57)29-30-47(45)61-52(48,51(44)50)59-33-5-2/h5,15-16,21-22,24-26,29-30,34-35,39,43,48,50-51,55-57H,2,4,6-14,17-20,23,27-28,31-33,36-37H2,1,3H3/t39-,43+,48-,50+,51+,52+/m0/s1
SMILES: C[C@H]1C(=O)N2[C@H](CC3=CC(=C(C=C3C2=C)OC)OC)[C@@]4(N1C(=O)C5=CC=CC=C54)O
InChI: InChI=1S/C23H22N2O5/c1-12-16-11-19(30-4)18(29-3)9-14(16)10-20-23(28)17-8-6-5-7-15(17)22(27)25(23)13(2)21(26)24(12)20/h5-9,11,13,20,28H,1,10H2,2-4H3/t13-,20+,23-/m0/s1
SMILES: COC1=CC=CC(=C1OC)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C5=C(N2)C=CC(=C5)C(=O)[O-]
InChI: InChI=1S/C23H25NO4/c1-27-18-5-3-4-15(22(18)28-2)21-20-13-7-6-12(10-13)19(20)16-11-14(23(25)26)8-9-17(16)24-21/h3-5,8-9,11-13,19-21,24H,6-7,10H2,1-2H3,(H,25,26)/p-1/t12-,13+,19+,20-,21+/m0/s1
SMILES: CC1=CC2=C(C=C1C)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CN4C(=O)[C@@H]5CCCC[C@H]5C4=O
InChI: InChI=1S/C24H26N2O3S3/c1-12-9-16-17(10-13(12)2)26(24(3,4)20-19(16)23(30)32-31-20)18(27)11-25-21(28)14-7-5-6-8-15(14)22(25)29/h9-10,14-15H,5-8,11H2,1-4H3/t14-,15-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)C2=CC=C(C=C2)N3CCCC3=O
InChI: InChI=1S/C23H31N3O5/c1-15-6-3-4-7-19(15)25-22(29)16(2)31-21(28)14-24-23(30)17-9-11-18(12-10-17)26-13-5-8-20(26)27/h9-12,15-16,19H,3-8,13-14H2,1-2H3,(H,24,30)(H,25,29)/t15-,16-,19-/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-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@H]([C@H]1CCC2=O)CCC4=CC(=O)CC[C@@H]34
InChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3/t13-,14+,15-,16-,18+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C
InChI: InChI=1S/C21H33N3O3S/c1-16-8-9-18(3)20(14-16)28(26,27)24-12-10-23(11-13-24)15-21(25)22-19-7-5-4-6-17(19)2/h8-9,14,17,19H,4-7,10-13,15H2,1-3H3,(H,22,25)/t17-,19+/m1/s1
SMILES: CCO[C@H]1CC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C(CN4C)C6=C(C=C5)OCO6)OCO3
InChI: InChI=1S/C22H23NO5/c1-3-24-19-7-12-6-17-18(27-10-26-17)8-14(12)21-20(19)13-4-5-16-22(28-11-25-16)15(13)9-23(21)2/h4-6,8,19-21H,3,7,9-11H2,1-2H3/t19-,20-,21+/m0/s1
SMILES: C[C@@]1([C@H]2[C@@H]([C@@H]([NH2+]1)C3=C(C=C(C=C3)O)O)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)[O-]
InChI: InChI=1S/C21H20N2O6/c1-21(20(28)29)16-15(17(22-21)13-8-7-12(24)9-14(13)25)18(26)23(19(16)27)10-11-5-3-2-4-6-11/h2-9,15-17,22,24-25H,10H2,1H3,(H,28,29)/t15-,16-,17-,21+/m0/s1
SMILES: C1=CC=C2C(=C1)C=CC=C2CNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C21H21N5O4/c27-9-15-17(28)18(29)21(30-15)26-11-25-16-19(23-10-24-20(16)26)22-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,10-11,15,17-18,21,27-29H,8-9H2,(H,22,23,24)/t15-,17-,18-,21-/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@H](C2=CC=CC=C2[C@H]1Cl)C#N)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H18ClNO2/c1-2-24-20-17(19(23)13-8-4-3-5-9-13)16(12-22)14-10-6-7-11-15(14)18(20)21/h3-11,16-18,20H,2H2,1H3/t16-,17-,18+,20+/m0/s1
SMILES: CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)C)C)C(=O)S
InChI: InChI=1S/C24H29FO5S/c1-5-19(28)30-24(20(29)31)13(2)10-17-16-7-6-14-11-15(26)8-9-21(14,3)23(16,25)18(27)12-22(17,24)4/h8-9,11,13,16-17H,5-7,10,12H2,1-4H3,(H,29,31)/t13-,16-,17-,21-,22-,23-,24-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC(C=C)[C@H]1CC[C@@H]([C@@]2(O1)CCCCO2)OCC3=CC=CC=C3
InChI: InChI=1S/C25H40O4Si/c1-7-21(29-30(5,6)24(2,3)4)22-15-16-23(25(28-22)17-11-12-18-27-25)26-19-20-13-9-8-10-14-20/h7-10,13-14,21-23H,1,11-12,15-19H2,2-6H3/t21?,22-,23+,25+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1C[C@@]2([C@H](C[C@@H]([C@@]([C@H]2[C@H]3[C@@]4(C[C@@H](C(=C1C4(C)C)C)O[Si](C)(C)C(C)(C)C)OC(=O)O3)(C)O)O[Si](C)(C)C)OCOCC5=CC=CC=C5)C
InChI: InChI=1S/C44H76O9Si3/c1-17-56(18-2,19-3)52-33-26-42(10)34(48-29-47-28-31-23-21-20-22-24-31)25-35(53-54(12,13)14)43(11,46)37(42)38-44(50-39(45)49-38)27-32(30(4)36(33)41(44,8)9)51-55(15,16)40(5,6)7/h20-24,32-35,37-38,46H,17-19,25-29H2,1-16H3/t32-,33+,34-,35-,37-,38-,42+,43+,44+/m0/s1
SMILES: C1CN(CCN1)CCN2C(=O)[C@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C24H25N3O2/c28-23-21-19-15-5-1-2-6-16(15)20(18-8-4-3-7-17(18)19)22(21)24(29)27(23)14-13-26-11-9-25-10-12-26/h1-8,19-22,25H,9-14H2/t19?,20?,21-,22-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC2=C3C(=C(C=C2)Cl)C=CC=N3
InChI: InChI=1S/C18H21ClN2O2/c1-12-5-2-3-7-15(12)21-17(22)11-23-16-9-8-14(19)13-6-4-10-20-18(13)16/h4,6,8-10,12,15H,2-3,5,7,11H2,1H3,(H,21,22)/t12-,15+/m1/s1
SMILES: CC(C)CCC[C@@]1([C@H](C[C@]2(C(=C(C(=O)[C@@]1(C2=O)C(=O)C(C)C)CCC(C)C)O)CCC(C)C)CCC(C)C)C
InChI: InChI=1S/C35H60O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h22-27,37H,12-21H2,1-11H3/t27-,33+,34-,35+/m0/s1
SMILES: C[C@@H]1C[C@@H]2[C@@H](O[C@]3([C@H]1[C@]4(CC[C@@]56C[C@@]57CC[C@@H](C(C7CC=C6[C@@]4([C@H]3O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)C)O2)C(C)(C)O
InChI: InChI=1S/C35H54O9/c1-17-14-19-26(30(4,5)40)44-35(43-19)25(17)31(6)12-13-34-16-33(34)11-10-22(42-27-24(38)23(37)18(36)15-41-27)29(2,3)20(33)8-9-21(34)32(31,7)28(35)39/h9,17-20,22-28,36-40H,8,10-16H2,1-7H3/t17-,18-,19-,20?,22+,23+,24-,25-,26-,27+,28-,31-,32-,33-,34+,35+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=C(C=C(C=C2)Cl)N
InChI: InChI=1S/C17H23ClN2O3/c1-10-5-3-4-6-15(10)20-16(21)11(2)23-17(22)13-8-7-12(18)9-14(13)19/h7-11,15H,3-6,19H2,1-2H3,(H,20,21)/t10-,11-,15-/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)NCCCCCCCC(=O)OC
InChI: InChI=1S/C41H67NO5/c1-27(2)29-18-23-41(36(45)42-26-14-12-10-11-13-15-34(44)46-9)25-24-39(7)30(35(29)41)16-17-32-38(6)21-20-33(47-28(3)43)37(4,5)31(38)19-22-40(32,39)8/h29-33,35H,1,10-26H2,2-9H3,(H,42,45)/t29-,30+,31-,32+,33-,35+,38-,39+,40+,41-/m0/s1
SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C.CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3
InChI: InChI=1S/C25H38O5.C17H14O4S/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19;1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3;2-10H,11H2,1H3/t15-,16-,18+,19+,20-,21-,23-;/m0./s1
SMILES: CC1=CC(=CC(=C1)N2C(=O)[C@@H]3[C@@H]4CCC[NH+]4[C@@H]([C@@H]3C2=O)C(=O)C5=CC=C(C=C5)Cl)C
InChI: InChI=1S/C24H23ClN2O3/c1-13-10-14(2)12-17(11-13)27-23(29)19-18-4-3-9-26(18)21(20(19)24(27)30)22(28)15-5-7-16(25)8-6-15/h5-8,10-12,18-21H,3-4,9H2,1-2H3/p+1/t18-,19+,20+,21-/m0/s1