EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)N[C@@H]3CCCC[C@H]3C
InChI: InChI=1S/C19H25N3O3S/c1-3-24-15-10-8-14(9-11-15)18-21-22-19(25-18)26-12-17(23)20-16-7-5-4-6-13(16)2/h8-11,13,16H,3-7,12H2,1-2H3,(H,20,23)/t13-,16-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2[C@H](C4=CC=C(C=C4)C)O)N3C
InChI: InChI=1S/C23H29NO/c1-15-4-8-17(9-5-15)20-14-19-12-13-21(24(19)3)22(20)23(25)18-10-6-16(2)7-11-18/h4-11,19-23,25H,12-14H2,1-3H3/t19-,20+,21+,22-,23-/m0/s1
SMILES: CC[C@]1(CCC[C@]2(C1CC[C@@]3([C@@H]2C[C@@H]([C@]4([C@H]3CCC5=C4C(=O)O[C@H]5C)C)OC(=O)CC(C)O)C)C)C
InChI: InChI=1S/C31H48O5/c1-8-28(4)13-9-14-29(5)21(28)12-15-30(6)22-11-10-20-19(3)35-27(34)26(20)31(22,7)24(17-23(29)30)36-25(33)16-18(2)32/h18-19,21-24,32H,8-17H2,1-7H3/t18?,19-,21?,22-,23+,24-,28-,29-,30-,31+/m0/s1
SMILES: CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C21H22N2O7/c1-12-7-8-13(21(28)29-2)9-16(12)22-17(24)11-30-18(25)10-23-19(26)14-5-3-4-6-15(14)20(23)27/h3-4,7-9,14-15H,5-6,10-11H2,1-2H3,(H,22,24)/t14-,15-/m1/s1
SMILES: CC1=C(N2[C@H]([C@H](C2=O)NC(=O)C3=CN(N=C3C)C)SC1)C(=O)[O-]
InChI: InChI=1S/C14H16N4O4S/c1-6-5-23-13-9(12(20)18(13)10(6)14(21)22)15-11(19)8-4-17(3)16-7(8)2/h4,9,13H,5H2,1-3H3,(H,15,19)(H,21,22)/p-1/t9-,13-/m0/s1
SMILES: COC1=CC(=CC(=C1O)[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)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9)Br
InChI: InChI=1S/C46H34BrClFN3O7/c1-59-37-22-27(47)21-35(41(37)54)39-32-19-20-33-38(44(57)51(42(33)55)31-17-7-25(8-18-31)40(53)24-5-3-2-4-6-24)34(32)23-36-43(56)52(50-30-15-13-29(49)14-16-30)45(58)46(36,39)26-9-11-28(48)12-10-26/h2-19,21-22,33-34,36,38-39,50,54H,20,23H2,1H3/t33-,34+,36-,38-,39+,46+/m0/s1
SMILES: C1CC(C[C@@H]2[C@H]1C(=O)/C(=C/C3=NOC(=C3)C4=CC=CC=C4)/O2)C(=O)O
InChI: InChI=1S/C19H17NO5/c21-18-14-7-6-12(19(22)23)8-16(14)24-17(18)10-13-9-15(25-20-13)11-4-2-1-3-5-11/h1-5,9-10,12,14,16H,6-8H2,(H,22,23)/b17-10-/t12?,14-,16+/m0/s1
SMILES: CC(C)[C@@H]1CCC2(C1[C@H]3CCC4[C@]5(CCC(C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)NNC6=CC=CC=C6)C)C(=O)O
InChI: InChI=1S/C36H56N2O2/c1-23(2)25-15-20-36(31(39)40)22-21-34(6)26(30(25)36)13-14-28-33(5)18-17-29(38-37-24-11-9-8-10-12-24)32(3,4)27(33)16-19-35(28,34)7/h8-12,23,25-30,37-38H,13-22H2,1-7H3,(H,39,40)/t25-,26+,27-,28?,29?,30?,33-,34+,35+,36?/m0/s1
SMILES: COC(=O)[C@@]1([C@@H]2C[C@H]([C@H]1C3=CC=CS3)C=C2)NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C20H19NO3S/c1-24-19(23)20(21-18(22)13-6-3-2-4-7-13)15-10-9-14(12-15)17(20)16-8-5-11-25-16/h2-11,14-15,17H,12H2,1H3,(H,21,22)/t14-,15+,17+,20+/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)CN(C3=CC=CC(=C3)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C22H23F3N2O3S/c23-22(24,25)17-5-4-6-18(13-17)27(31(29,30)19-7-2-1-3-8-19)14-21(28)26-20-12-15-9-10-16(20)11-15/h1-8,13,15-16,20H,9-12,14H2,(H,26,28)/t15-,16+,20-/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)NC3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C20H18N2O3/c23-18(21-15-10-9-13-5-1-2-6-14(13)11-15)12-22-19(24)16-7-3-4-8-17(16)20(22)25/h1-6,9-11,16-17H,7-8,12H2,(H,21,23)/t16-,17+
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)[C@H](C)OC(=O)C)CN(CC5=CC=CC=C5)CC6=CC=CC=C6
InChI: InChI=1S/C45H48N2O6/c1-31-42(29-47(27-34-11-6-4-7-12-34)28-35-13-8-5-9-14-35)52-45(53-43(31)39-19-17-36(30-48)18-20-39)40-23-21-38(22-24-40)41-16-10-15-37(25-41)26-46-44(50)32(2)51-33(3)49/h4-25,31-32,42-43,45,48H,26-30H2,1-3H3,(H,46,50)/t31-,32+,42+,43+,45+/m1/s1
SMILES: CCC(C)C(=O)O[C@@H]1C[C@@H]([C@]2(CO2)[C@]3([C@H]1[C@@]([C@@H](C[C@@H]3OC(=O)C)C)(C)C4C[C@H]5C=CO[C@H]5O4)COC(=O)C)O
InChI: InChI=1S/C29H42O10/c1-7-15(2)25(33)38-20-12-21(32)29(14-36-29)28(13-35-17(4)30)23(37-18(5)31)10-16(3)27(6,24(20)28)22-11-19-8-9-34-26(19)39-22/h8-9,15-16,19-24,26,32H,7,10-14H2,1-6H3/t15?,16-,19-,20-,21+,22?,23+,24-,26+,27-,28-,29-/m1/s1
SMILES: C1C[C@H]2[C@H]3CC4=C5[C@@]2(CCN3CC6=COC=C6)[C@H](C1)OC5=C(C=C4)O
InChI: InChI=1S/C21H23NO3/c23-17-5-4-14-10-16-15-2-1-3-18-21(15,19(14)20(17)25-18)7-8-22(16)11-13-6-9-24-12-13/h4-6,9,12,15-16,18,23H,1-3,7-8,10-11H2/t15-,16+,18-,21+/m0/s1
SMILES: CC(=O)[C@@H]1[C@H]([C@H](C(=N)S1)C#N)C2=CC(=C(C=C2)Cl)Cl
InChI: InChI=1S/C13H10Cl2N2OS/c1-6(18)12-11(8(5-16)13(17)19-12)7-2-3-9(14)10(15)4-7/h2-4,8,11-12,17H,1H3/t8-,11+,12-/m1/s1
SMILES: C/C/1=C\CC/C(=C/CC(/C(=C\[C@@H]2[C@H](C2(C)C)CC1)/C=O)O)/C
InChI: InChI=1S/C20H30O2/c1-14-6-5-7-15(2)9-11-19(22)16(13-21)12-18-17(10-8-14)20(18,3)4/h6,9,12-13,17-19,22H,5,7-8,10-11H2,1-4H3/b14-6+,15-9+,16-12-/t17-,18-,19?/m1/s1
SMILES: CC1=C(C=CC(=C1)Cl)NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C17H19ClN2O3/c1-10-8-11(18)6-7-14(10)19-15(21)9-20-16(22)12-4-2-3-5-13(12)17(20)23/h6-8,12-13H,2-5,9H2,1H3,(H,19,21)/t12-,13+
SMILES: CC(=O)O[C@H]1CC(=O)N2[C@H]3C1[C@H]4C[C@H]5[C@@]3(CCN5C[C@@H]4OC(=O)C)C6=CC=CC=C62
InChI: InChI=1S/C23H26N2O5/c1-12(26)29-17-10-20(28)25-16-6-4-3-5-15(16)23-7-8-24-11-18(30-13(2)27)14(9-19(23)24)21(17)22(23)25/h3-6,14,17-19,21-22H,7-11H2,1-2H3/t14-,17-,18-,19-,21?,22-,23+/m0/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OCC5=CC=CC=C5)OC(=O)CCl)N=[N+]=[N-]
InChI: InChI=1S/C34H40ClN3O12S/c1-4-51-34-26(37-38-36)29(27-24(47-34)18-44-32(49-27)22-13-9-6-10-14-22)50-33-31(48-25(41)15-35)30(43-16-21-11-7-5-8-12-21)28(45-20(3)40)23(46-33)17-42-19(2)39/h5-14,23-24,26-34H,4,15-18H2,1-3H3/t23-,24-,26-,27-,28+,29-,30+,31-,32?,33+,34+/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3[C@H](COC3=O)C(=O)C4=C2C=CO4
InChI: InChI=1S/C19H18O7/c1-22-12-6-9(7-13(23-2)18(12)24-3)14-10-4-5-25-17(10)16(20)11-8-26-19(21)15(11)14/h4-7,11,14-15H,8H2,1-3H3/t11-,14+,15+/m0/s1
SMILES: CCCSS[C@H]1[C@H]2[C@@H](CO[Si](O[Si](O2)(C(C)C)C(C)C)(C(C)C)C(C)C)O[C@H]1N3C=NC4=C3N=C(N=C4OC)N
InChI: InChI=1S/C26H47N5O5S2Si2/c1-11-12-37-38-22-21-19(34-25(22)31-14-28-20-23(31)29-26(27)30-24(20)32-10)13-33-39(15(2)3,16(4)5)36-40(35-21,17(6)7)18(8)9/h14-19,21-22,25H,11-13H2,1-10H3,(H2,27,29,30)/t19-,21-,22+,25-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2C(=O)COC(=O)C3=CC=CC=C3N4CCCC4=O
InChI: InChI=1S/C22H28N2O4/c25-20-12-6-14-24(20)19-11-4-2-9-17(19)22(27)28-15-21(26)23-13-5-8-16-7-1-3-10-18(16)23/h2,4,9,11,16,18H,1,3,5-8,10,12-15H2/t16-,18-/m0/s1
SMILES: CC1=C(N(C(=N1)S[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C21H22ClN3O4S/c1-12-17(13-5-3-2-4-6-13)25(24-15-9-7-14(22)8-10-15)21(23-12)30-20-19(28)18(27)16(11-26)29-20/h2-10,16,18-20,24,26-28H,11H2,1H3/t16-,18-,19-,20+/m1/s1
SMILES: COC1=CC=C(C=C1)C2=NO[C@@H]([C@H]2C(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C23H19NO3/c1-26-19-14-12-16(13-15-19)21-20(22(25)17-8-4-2-5-9-17)23(27-24-21)18-10-6-3-7-11-18/h2-15,20,23H,1H3/t20-,23-/m1/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC4=CC=C(C=C4)[N+](=O)[O-])C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CCC)S(=O)(=O)C6=CC=CC7=C6N=CC=C7)OCC=C
InChI: InChI=1S/C59H79N5O11S/c1-4-7-8-9-10-11-12-13-14-17-33-61-58(67)74-47-31-32-52-50(40-47)55-48(25-16-19-37-66)45(22-15-18-36-65)39-49-51(62-73-42-43-27-29-46(30-28-43)64(68)69)41-54(59(75-52,56(49)55)72-38-6-3)63(35-5-2)76(70,71)53-26-20-23-44-24-21-34-60-57(44)53/h6,20-21,23-24,26-32,34,39-40,45,48,54-56,65-66H,3-5,7-19,22,25,33,35-38,41-42H2,1-2H3,(H,61,67)/t45-,48+,54-,55+,56+,59+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2C(=O)COC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]
InChI: InChI=1S/C18H21ClN2O5/c19-13-7-8-14(16(10-13)21(24)25)18(23)26-11-17(22)20-9-3-5-12-4-1-2-6-15(12)20/h7-8,10,12,15H,1-6,9,11H2/t12-,15-/m0/s1
SMILES: C[C@]12[C@H]3CC[C@@H]([C@]1(C(=O)N(C2=O)C4=NC=C(S4)[N+](=O)[O-])C)O3
InChI: InChI=1S/C13H13N3O5S/c1-12-6-3-4-7(21-6)13(12,2)10(18)15(9(12)17)11-14-5-8(22-11)16(19)20/h5-7H,3-4H2,1-2H3/t6-,7+,12-,13+
SMILES: COC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)N
InChI: InChI=1S/C11H15N5O5/c1-20-11-14-8(12)5-9(15-11)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6+,7-,10-/m1/s1
SMILES: COC1=CC=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=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=CC=C8)O
InChI: InChI=1S/C39H29Cl2F3N4O6/c1-54-29-9-5-8-28(49)31(29)32-23-14-15-24-30(36(52)47(34(24)50)22-6-3-2-4-7-22)25(23)17-26-35(51)48(37(53)38(26,32)19-10-12-21(40)13-11-19)46-33-27(41)16-20(18-45-33)39(42,43)44/h2-14,16,18,24-26,30,32,49H,15,17H2,1H3,(H,45,46)/t24-,25+,26-,30-,32+,38+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H]2[C@@H](C(C2=O)(Cl)Cl)SC1(C)C
InChI: InChI=1S/C11H14Cl2O3S/c1-4-16-9(15)6-5-7(14)11(12,13)8(5)17-10(6,2)3/h5-6,8H,4H2,1-3H3/t5-,6-,8-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H](C=C)C(=O)C2=CC=CC=C2)C(C)C
InChI: InChI=1S/C21H28O3/c1-5-17(20(22)16-9-7-6-8-10-16)21(23)24-19-13-15(4)11-12-18(19)14(2)3/h5-10,14-15,17-19H,1,11-13H2,2-4H3/t15-,17+,18+,19-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)NCC[C@@](/C=C/[C@H]1[C@H](C=CC(=O)O1)CC)([C@@H](C[C@H](/C=C\C=C/[C@@H]2CCC[C@@H](C2)O)O)OP(=O)(O)O)O
InChI: InChI=1S/C41H70NO10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-24-39(45)42-30-29-41(47,28-27-37-34(4-2)25-26-40(46)51-37)38(52-53(48,49)50)32-36(44)22-18-17-20-33-21-19-23-35(43)31-33/h17-18,20,22,25-28,33-38,43-44,47H,3-16,19,21,23-24,29-32H2,1-2H3,(H,42,45)(H2,48,49,50)/b20-17-,22-18-,28-27+/t33-,34+,35+,36+,37+,38-,41+/m1/s1
SMILES: C[C@H](/C=C/[C@H](C(C)C)C(F)(F)F)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)OCOC)C)OCOC)C
InChI: InChI=1S/C32H53F3O4/c1-20(2)24(32(33,34)35)9-8-21(3)25-10-11-26-23-17-29(39-19-37-7)28-16-22(38-18-36-6)12-14-31(28,5)27(23)13-15-30(25,26)4/h8-9,20-29H,10-19H2,1-7H3/b9-8+/t21-,22-,23+,24-,25-,26+,27+,28+,29+,30-,31-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=C(C=C(C=C2)OC)OC
InChI: InChI=1S/C19H27NO5/c1-12-7-5-6-8-16(12)20-18(21)13(2)25-19(22)15-10-9-14(23-3)11-17(15)24-4/h9-13,16H,5-8H2,1-4H3,(H,20,21)/t12-,13-,16-/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)N3CCC[C@@H]4[C@@H]3CCCC4
InChI: InChI=1S/C23H33N3O2/c1-18(27)19-8-10-21(11-9-19)25-15-13-24(14-16-25)17-23(28)26-12-4-6-20-5-2-3-7-22(20)26/h8-11,20,22H,2-7,12-17H2,1H3/t20-,22+/m1/s1
SMILES: CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO
InChI: InChI=1S/C16H28N2O10/c1-6(21)17-8-5-26-10(4-20)15(12(8)23)28-16-11(18-7(2)22)14(25)13(24)9(3-19)27-16/h8-16,19-20,23-25H,3-5H2,1-2H3,(H,17,21)(H,18,22)/t8-,9+,10+,11+,12+,13+,14+,15+,16-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=O)C[C@@H](C2=O)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H23NO12/c1-7(20)27-6-12-14(28-8(2)21)15(29-9(3)22)16(30-10(4)23)18(31-12)19-13(25)5-11(24)17(19)26/h11-12,14-16,18,24H,5-6H2,1-4H3/t11-,12+,14+,15-,16+,18+/m0/s1
SMILES: CCOC(=O)[C@H](CO)NP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=C(C(=O)NC4=O)C
InChI: InChI=1S/C25H36N5O14P/c1-4-40-23(36)14(9-31)28-45(39,41-11-18-15(33)5-19(43-18)29-7-12(2)21(34)26-24(29)37)44-16-6-20(42-17(16)10-32)30-8-13(3)22(35)27-25(30)38/h7-8,14-20,31-33H,4-6,9-11H2,1-3H3,(H,28,39)(H,26,34,37)(H,27,35,38)/t14-,15-,16-,17+,18+,19+,20+,45?/m0/s1
SMILES: COC(=O)CSC1=C([C@@H]([C@H](C(=O)N1)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C#N
InChI: InChI=1S/C17H15N3O7S/c1-26-12(21)8-28-16-10(7-18)13(14(15(22)19-16)17(23)27-2)9-5-3-4-6-11(9)20(24)25/h3-6,13-14H,8H2,1-2H3,(H,19,22)/t13-,14+/m0/s1
SMILES: CCCC[C@H]1[C@@H](OC(=O)C1(CC=C(C)C)CC=C(C)C)O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C
InChI: InChI=1S/C28H48O3/c1-9-10-11-24-26(30-25-18-22(8)12-13-23(25)21(6)7)31-27(29)28(24,16-14-19(2)3)17-15-20(4)5/h14-15,21-26H,9-13,16-18H2,1-8H3/t22-,23+,24+,25-,26-/m1/s1
SMILES: CCN1C(=O)[C@H]2[C@@H](C1=O)[C@](N[C@H]2C3=C(C=C(C=C3)OC)OC)(CO)C(=O)OCC
InChI: InChI=1S/C20H26N2O7/c1-5-22-17(24)14-15(18(22)25)20(10-23,19(26)29-6-2)21-16(14)12-8-7-11(27-3)9-13(12)28-4/h7-9,14-16,21,23H,5-6,10H2,1-4H3/t14-,15-,16-,20+/m0/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=CC(=C(C(=C5Br)Br)O)OC)C(=O)C=C(C4=O)C
InChI: InChI=1S/C27H25Br2NO6/c1-4-7-30-26(34)13-6-5-12-14(20(13)27(30)35)9-16-21(17(31)8-11(2)24(16)32)19(12)15-10-18(36-3)25(33)23(29)22(15)28/h5,8,10,13-14,19-20,33H,4,6-7,9H2,1-3H3/t13-,14+,19+,20-/m0/s1
SMILES: COCCOC(=O)N1C2=CC=CC=C2[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NCC=C
InChI: InChI=1S/C42H41N3O9/c1-3-22-43-38(47)33-35-39(48)54-36(28-14-8-5-9-15-28)34(27-12-6-4-7-13-27)45(35)37(29-18-20-30(21-19-29)52-24-23-46)42(33)31-16-10-11-17-32(31)44(40(42)49)41(50)53-26-25-51-2/h3-21,33-37,46H,1,22-26H2,2H3,(H,43,47)/t33-,34-,35-,36+,37+,42-/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2[C@@H](OC3=C2C(=O)NC(=N3)N)[N+](=O)[O-])OC
InChI: InChI=1S/C14H14N4O6/c1-22-7-4-3-6(5-8(7)23-2)9-10-11(19)16-14(15)17-12(10)24-13(9)18(20)21/h3-5,9,13H,1-2H3,(H3,15,16,17,19)/t9-,13-/m1/s1
SMILES: CCCCCCCC/C=C/C=C/C(=O)NCC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1[C@H](CO)O)NC2=NC=NC3=C2NC=N3)O)O
InChI: InChI=1S/C27H41N7O7/c1-2-3-4-5-6-7-8-9-10-11-12-18(37)28-13-19(38)33-20-22(39)23(40)27(41-24(20)17(36)14-35)34-26-21-25(30-15-29-21)31-16-32-26/h9-12,15-17,20,22-24,27,35-36,39-40H,2-8,13-14H2,1H3,(H,28,37)(H,33,38)(H2,29,30,31,32,34)/b10-9+,12-11+/t17-,20+,22+,23+,24-,27-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H]([C@@H]3[C@H](O2)OC(O3)(C)C)CP(=O)(CC[C@@H]4[C@@H]5[C@H]([C@@H](O4)OC)OC(O5)(C)C)OC)C
InChI: InChI=1S/C24H41O11P/c1-22(2)28-11-15(31-22)16-13(17-21(30-16)35-24(5,6)32-17)12-36(25,27-8)10-9-14-18-19(20(26-7)29-14)34-23(3,4)33-18/h13-21H,9-12H2,1-8H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-,36?/m1/s1
SMILES: [2H]C([2H])([2H])N1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O
InChI: InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1/i1D3
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@@H](C([C@H]([C@@H](C2O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C41H42O6/c42-36-37(43-26-31-16-6-1-7-17-31)39(45-28-33-20-10-3-11-21-33)41(47-30-35-24-14-5-15-25-35)40(46-29-34-22-12-4-13-23-34)38(36)44-27-32-18-8-2-9-19-32/h1-25,36-42H,26-30H2/t36?,37-,38-,39+,40+,41?/m1/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)OCC(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H18N2O7/c26-20(14-6-2-1-3-7-14)13-32-23(29)18-11-10-15(25(30)31)12-19(18)24-21(27)16-8-4-5-9-17(16)22(24)28/h1-7,10-12,16-17H,8-9,13H2/t16-,17-/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=C[C@@H]3[C@H]4[C@@]3(C=C[C@@H]2C4)C5=CC=C(C=C5)C(C)(C)C
InChI: InChI=1S/C29H34/c1-27(2,3)21-9-7-19(8-10-21)24-18-26-25-17-20(24)15-16-29(25,26)23-13-11-22(12-14-23)28(4,5)6/h7-16,18,20,25-26H,17H2,1-6H3/t20-,25+,26-,29-/m1/s1
SMILES: CC(C)(C=C)C1=C(C2=CC=CC=C2N1)C[C@H]3C(=O)N4[C@@H](C[C@]5([C@@H]4N(C6=CC=CC=C65)C(C)(C)C=C)O)C(=O)N3
InChI: InChI=1S/C32H36N4O3/c1-7-30(3,4)26-20(19-13-9-11-15-22(19)33-26)17-23-28(38)35-25(27(37)34-23)18-32(39)21-14-10-12-16-24(21)36(29(32)35)31(5,6)8-2/h7-16,23,25,29,33,39H,1-2,17-18H2,3-6H3,(H,34,37)/t23-,25-,29-,32-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@H](O[C@@H]2[C@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-])OC(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C22H33N3O6Si/c1-21(2,3)32(6,7)27-13-15(24-25-23)16-17-18(31-22(4,5)30-17)20(28-16)29-19(26)14-11-9-8-10-12-14/h8-12,15-18,20H,13H2,1-7H3/t15-,16+,17-,18-,20+/m0/s1
SMILES: CCCC[C@@]12CC(=O)/C(=C/C3=CC=CO3)/[C@@H](N1C(=O)OC(C)(C)C)C[C@@H]2OCOC
InChI: InChI=1S/C23H33NO6/c1-6-7-10-23-14-19(25)17(12-16-9-8-11-28-16)18(13-20(23)29-15-27-5)24(23)21(26)30-22(2,3)4/h8-9,11-12,18,20H,6-7,10,13-15H2,1-5H3/b17-12+/t18-,20-,23-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O.O.O.O.O.O.O.O.O
InChI: InChI=1S/C29H44O12.8H2O/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31;;;;;;;;/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3;8*1H2/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-;;;;;;;;/m0......../s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C#CCC4CCN(CC4)C(=O)OCC)N)O)O
InChI: InChI=1S/C23H31N7O6/c1-3-25-21(33)18-16(31)17(32)22(36-18)30-12-26-15-19(24)27-14(28-20(15)30)7-5-6-13-8-10-29(11-9-13)23(34)35-4-2/h12-13,16-18,22,31-32H,3-4,6,8-11H2,1-2H3,(H,25,33)(H2,24,27,28)/t16-,17+,18-,22+/m0/s1
SMILES: CCC(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)C(C)C
InChI: InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-22,24-27H,7-18H2,1-6H3/t20-,21?,22+,24+,25-,26+,27+,28+,29-/m1/s1
SMILES: COCCN1C(=O)[C@@]2(CC3=CC=CC=C3N4[C@@H]2CCCCC4)C(=O)NC1=O
InChI: InChI=1S/C20H25N3O4/c1-27-12-11-23-18(25)20(17(24)21-19(23)26)13-14-7-4-5-8-15(14)22-10-6-2-3-9-16(20)22/h4-5,7-8,16H,2-3,6,9-13H2,1H3,(H,21,24,26)/t16-,20-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CSC(=N2)C3=CC=C(C=C3)OC
InChI: InChI=1S/C21H26N2O4S/c1-13-6-4-5-7-17(13)22-19(24)14(2)27-21(25)18-12-28-20(23-18)15-8-10-16(26-3)11-9-15/h8-14,17H,4-7H2,1-3H3,(H,22,24)/t13-,14+,17+/m0/s1
SMILES: CCC(CC)C1=NN=C(S1)NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C17H22N4O3S/c1-3-10(4-2)14-19-20-17(25-14)18-13(22)9-21-15(23)11-7-5-6-8-12(11)16(21)24/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,18,20,22)/t11-,12+
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H]3CC[C@@]4([C@H]([C@@H]3CC=C2C1)CC[C@@]4(C#C)O)C)C
InChI: InChI=1S/C23H32O3/c1-5-23(25)13-10-20-18-7-6-16-14-17(26-15(2)24)8-11-21(16,3)19(18)9-12-22(20,23)4/h1,6,17-20,25H,7-14H2,2-4H3/t17-,18+,19+,20-,21+,22+,23+/m0/s1
SMILES: CC1=CC=C(C=C1)N2[C@H]([C@@H](CCC2=O)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)F)C4=CC=CS4
InChI: InChI=1S/C25H22F2N2O4S/c1-15-4-7-17(8-5-15)29-23(31)11-9-18(24(29)21-3-2-12-34-21)25(32)33-14-22(30)28-16-6-10-19(26)20(27)13-16/h2-8,10,12-13,18,24H,9,11,14H2,1H3,(H,28,30)/t18-,24-/m1/s1
SMILES: CCCCCCCCCCCCCCC(C(=O)NC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(/C=C/CC/C=C(\C)/CCCCCCCCC)O)O
InChI: InChI=1S/C41H77NO9/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-19-17-11-9-7-5-2/h25,27-28,33-39,41,43-48H,4-24,26,29-31H2,1-3H3,(H,42,49)/b28-25+,32-27+/t33?,34?,35?,36-,37-,38+,39-,41-/m1/s1
SMILES: C1[C@H]([C@H]1C2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)/C=N/OCC6=CC=CC=C6
InChI: InChI=1S/C33H29N3O/c1-5-13-26(14-6-1)24-37-35-22-27-21-31(27)32-23-36(25-34-32)33(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,22-23,25,27,31H,21,24H2/b35-22+/t27-,31-/m0/s1
SMILES: CCC(=O)N1[C@@H]([C@@H]2C(=N1)C3CCN2CC3)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C17H20N4O3/c1-2-14(22)20-16(12-4-3-5-13(10-12)21(23)24)17-15(18-20)11-6-8-19(17)9-7-11/h3-5,10-11,16-17H,2,6-9H2,1H3/t16-,17+/m1/s1
SMILES: C1[C@H]([C@@H]([C@@H](C[C@@]1(C(=O)[O-])O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O
InChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/p-1/b4-2+/t11-,12-,14+,16+/m1/s1
SMILES: CC(C)C[C@H]1[C@H]2[C@H](C(=O)N(C2=O)CC=C)[C@]3(N1)C4=C(C(=CC=C4)Cl)NC3=O
InChI: InChI=1S/C20H22ClN3O3/c1-4-8-24-17(25)14-13(9-10(2)3)23-20(15(14)18(24)26)11-6-5-7-12(21)16(11)22-19(20)27/h4-7,10,13-15,23H,1,8-9H2,2-3H3,(H,22,27)/t13-,14-,15+,20+/m0/s1
SMILES: CC1=C(C(=NN1C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(C=C3)O[C@@H]4CCOC4
InChI: InChI=1S/C24H34N2O8/c1-13(2)26-14(3)18(10-15-4-6-16(7-5-15)32-17-8-9-31-12-17)23(25-26)34-24-22(30)21(29)20(28)19(11-27)33-24/h4-7,13,17,19-22,24,27-30H,8-12H2,1-3H3/t17-,19-,20-,21+,22-,24+/m1/s1
SMILES: CC(=NNC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C20H22N2O3/c1-13(15-9-10-18(24-2)19(11-15)25-3)21-22-20(23)17-12-16(17)14-7-5-4-6-8-14/h4-11,16-17H,12H2,1-3H3,(H,22,23)/t16-,17+/m0/s1
SMILES: COC1=CC=CC(=C1)NC(=O)[C@H]2CC(=O)NC3=C[C@@H](CC(=O)[C@@H]23)C4=CC=CC=C4
InChI: InChI=1S/C23H22N2O4/c1-29-17-9-5-8-16(12-17)24-23(28)18-13-21(27)25-19-10-15(11-20(26)22(18)19)14-6-3-2-4-7-14/h2-10,12,15,18,22H,11,13H2,1H3,(H,24,28)(H,25,27)/t15-,18-,22-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC6=CC=CC=C65)O)C(=O)N(C4=O)C7=CC(=C(C=C7)C(=O)O)O)C(=O)N(C2=O)C8=CC(=C(C=C8)F)Cl
InChI: InChI=1S/C38H28ClFN2O8/c1-38-25(34(46)42(37(38)50)18-8-12-27(40)26(39)14-18)16-24-21(32(38)31-20-5-3-2-4-17(20)6-13-28(31)43)10-11-23-30(24)35(47)41(33(23)45)19-7-9-22(36(48)49)29(44)15-19/h2-10,12-15,23-25,30,32,43-44H,11,16H2,1H3,(H,48,49)/t23-,24+,25-,30-,32+,38+/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=CC=CC=C4OCCO)C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)CCC8=CC=C(C=C8)O
InChI: InChI=1S/C44H39NO7/c46-23-24-52-37-14-8-7-13-32(37)40-31-19-20-33-39(43(51)45(42(33)50)22-21-27-15-17-30(47)18-16-27)35(31)25-36-41(49)34(28-9-3-1-4-10-28)26-38(48)44(36,40)29-11-5-2-6-12-29/h1-19,26,33,35-36,39-40,46-47H,20-25H2/t33-,35+,36-,39-,40+,44-/m0/s1
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O
InChI: InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19?,20-,21-,22-/m0/s1
SMILES: CC1=CC=C(C=C1)NC(=O)[C@@H]2CC=CC[C@H]2C(=O)OCC(=C(Cl)Cl)Cl
InChI: InChI=1S/C18H18Cl3NO3/c1-11-6-8-12(9-7-11)22-17(23)13-4-2-3-5-14(13)18(24)25-10-15(19)16(20)21/h2-3,6-9,13-14H,4-5,10H2,1H3,(H,22,23)/t13-,14-/m1/s1
SMILES: C[C@@H]1[C@@H](OC(=O)N1C(=O)[C@H]([C@@H](C2=CC=CC=N2)NC[C@@H](C(=O)N)NC(=O)OC(C)(C)C)SC)C3=CC=CC=C3
InChI: InChI=1S/C27H35N5O6S/c1-16-21(17-11-7-6-8-12-17)37-26(36)32(16)24(34)22(39-5)20(18-13-9-10-14-29-18)30-15-19(23(28)33)31-25(35)38-27(2,3)4/h6-14,16,19-22,30H,15H2,1-5H3,(H2,28,33)(H,31,35)/t16-,19+,20-,21-,22+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=C(C=CC(=C2)C)OC
InChI: InChI=1S/C18H25NO4/c1-12-8-9-16(22-3)14(10-12)18(21)23-11-17(20)19-15-7-5-4-6-13(15)2/h8-10,13,15H,4-7,11H2,1-3H3,(H,19,20)/t13-,15+/m1/s1
SMILES: C[C@H](CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)[C@H]3CC[C@@H]4[C@@]3(CCC(=O)C4)C
InChI: InChI=1S/C26H33O2P/c1-20(25-14-13-21-19-22(27)15-17-26(21,25)2)16-18-29(28,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,20-21,25H,13-19H2,1-2H3/t20-,21+,25-,26+/m1/s1
SMILES: CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CCC2SCCS2)C(=O)O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C27H40N2O5S2/c1-3-5-11-28(12-6-4-2)24(30)17-29-16-20(19-7-9-22-23(15-19)34-18-33-22)26(27(31)32)21(29)8-10-25-35-13-14-36-25/h7,9,15,20-21,25-26H,3-6,8,10-14,16-18H2,1-2H3,(H,31,32)/t20-,21+,26-/m1/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]1CN(CC2=NN(C(=C2)C)C)C(=O)C3=C(OC=N3)C4=CC=CC=C4
InChI: InChI=1S/C23H26N4O4/c1-4-30-23(29)19-11-17(19)12-27(13-18-10-15(2)26(3)25-18)22(28)20-21(31-14-24-20)16-8-6-5-7-9-16/h5-10,14,17,19H,4,11-13H2,1-3H3/t17-,19+/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)N2[C@H]([C@@H](OC2=O)C3=CC=CC=C3)CCl
InChI: InChI=1S/C18H18ClNO2/c1-13(14-8-4-2-5-9-14)20-16(12-19)17(22-18(20)21)15-10-6-3-7-11-15/h2-11,13,16-17H,12H2,1H3/t13-,16+,17+/m1/s1
SMILES: CC(C)NC(=O)N(CCC1=CC=CS1)C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@]35C=C[C@@]6([C@@]4(CCC(C6)O)C)C=C5C(=O)C7=CC8=CC=CC=C8S7)C)O
InChI: InChI=1S/C41H50N2O4S2/c1-26(2)42-36(46)43(20-14-29-9-7-21-48-29)25-40(47)17-13-34-38(40,4)16-12-33-37(3)15-11-28(44)23-39(37)18-19-41(33,34)30(24-39)35(45)32-22-27-8-5-6-10-31(27)49-32/h5-10,18-19,21-22,24,26,28,33-34,44,47H,11-17,20,23,25H2,1-4H3,(H,42,46)/t28?,33-,34-,37-,38+,39+,40-,41-/m1/s1
SMILES: CC(C)[C@H](CC(=O)N1C(=O)O[C@H]2[C@@]13CC[C@H](C2)C3(C)C)O
InChI: InChI=1S/C16H25NO4/c1-9(2)11(18)8-13(19)17-14(20)21-12-7-10-5-6-16(12,17)15(10,3)4/h9-12,18H,5-8H2,1-4H3/t10-,11+,12-,16-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=CC7=CC=CC=C76)C[C@@H](CO)O)O)C(=C5)C(=O)CC8=C(C=CC=C8Cl)F)O)C
InChI: InChI=1S/C44H51ClFNO5/c1-40-16-13-30(49)22-42(40)19-20-44(34(23-42)37(51)21-33-35(45)11-6-12-36(33)46)38(40)14-17-41(2)39(44)15-18-43(41,52)27-47(25-31(50)26-48)24-29-9-5-8-28-7-3-4-10-32(28)29/h3-12,19-20,23,30-31,38-39,48-50,52H,13-18,21-22,24-27H2,1-2H3/t30?,31-,38+,39+,40+,41-,42-,43+,44+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)[Se]C(C)C(C2=CC=CC=C2)OC)C(C)C
InChI: InChI=1S/C20H32OSe/c1-14(2)18-12-11-15(3)13-19(18)22-16(4)20(21-5)17-9-7-6-8-10-17/h6-10,14-16,18-20H,11-13H2,1-5H3/t15-,16?,18+,19-,20?/m1/s1
SMILES: CC1(O[C@@H]2[C@@H](C/C(=C/CO)/C(=C)[C@H]2O1)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C18H32O4Si/c1-12-13(9-10-19)11-14(22-23(7,8)17(2,3)4)16-15(12)20-18(5,6)21-16/h9,14-16,19H,1,10-11H2,2-8H3/b13-9-/t14-,15-,16-/m1/s1