EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1CC[C@@H]2[C@H](C1)CCN([C@@H]2C(=O)NO)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C22H25ClN2O4S/c23-18-9-5-15(6-10-18)16-7-11-19(12-8-16)30(28,29)25-14-13-17-3-1-2-4-20(17)21(25)22(26)24-27/h5-12,17,20-21,27H,1-4,13-14H2,(H,24,26)/t17-,20-,21+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)OC
InChI: InChI=1S/C19H28N2O6S/c1-13-8-5-6-11-17(13)20-18(22)14(2)27-19(23)15-9-7-10-16(12-15)28(24,25)21(3)26-4/h7,9-10,12-14,17H,5-6,8,11H2,1-4H3,(H,20,22)/t13-,14-,17-/m1/s1
SMILES: CC1=C(C=C(C=C1)N[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)OC
InChI: InChI=1S/C14H21NO6/c1-7-3-4-8(5-9(7)20-2)15-14-13(19)12(18)11(17)10(6-16)21-14/h3-5,10-19H,6H2,1-2H3/t10-,11+,12+,13-,14-/m0/s1
SMILES: CC(=O)OC[C@@H]1CC[C@@H]([C@H](O1)N=[N+]=[N-])N=[N+]=[N-]
InChI: InChI=1S/C8H12N6O3/c1-5(15)16-4-6-2-3-7(11-13-9)8(17-6)12-14-10/h6-8H,2-4H2,1H3/t6-,7-,8-/m0/s1
SMILES: C[C@H]1C(=O)CC[C@H]2[C@@]1(CCC[C@@]2(C)COC3=CC4=C(C=C3)C=CC(=O)O4)C
InChI: InChI=1S/C23H28O4/c1-15-18(24)8-9-20-22(2,11-4-12-23(15,20)3)14-26-17-7-5-16-6-10-21(25)27-19(16)13-17/h5-7,10,13,15,20H,4,8-9,11-12,14H2,1-3H3/t15-,20+,22-,23+/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@@H]6[C@H]([C@H]5C7=C(C=CC(=C7)OC)O)C(=O)N(C6=O)C8=CC=C(C=C8)C=CC9=C(C=CC(=C9)OC)OC
InChI: InChI=1S/C53H48N2O10/c1-61-36-19-24-45(64-4)32(26-36)12-6-30-8-14-34(15-9-30)54-50(57)40-22-21-39-41(48(40)52(54)59)29-43-49(47(39)42-28-38(63-3)18-23-44(42)56)53(60)55(51(43)58)35-16-10-31(11-17-35)7-13-33-27-37(62-2)20-25-46(33)65-5/h6-21,23-28,40-41,43,47-49,56H,22,29H2,1-5H3/t40-,41+,43+,47+,48-,49+/m0/s1
SMILES: CC1=C2CC(=O)C3=CCCC=C3[C@@H]([C@@](C2(C)C)(C[C@@H]1O[Si](C)(C)C(C)(C)C)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H52O4Si2/c1-20-23-18-24(31)21-16-14-15-17-22(21)26(34-36(12,13)28(5,6)7)30(32,29(23,8)9)19-25(20)33-35(10,11)27(2,3)4/h16-17,25-26,32H,14-15,18-19H2,1-13H3/t25-,26-,30+/m0/s1
SMILES: C[C@@H]1C=C([C@@H]2[C@@H]([C@H]1CO[C@H]2C3=CC=CC=C3)COC(=O)CCl)C
InChI: InChI=1S/C19H23ClO3/c1-12-8-13(2)18-16(11-22-17(21)9-20)15(12)10-23-19(18)14-6-4-3-5-7-14/h3-8,12,15-16,18-19H,9-11H2,1-2H3/t12-,15+,16-,18-,19+/m1/s1
SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)NCCCCO
InChI: InChI=1S/C14H22N6O5/c15-14-18-11(16-3-1-2-4-21)8-12(19-14)20(6-17-8)13-10(24)9(23)7(5-22)25-13/h6-7,9-10,13,21-24H,1-5H2,(H3,15,16,18,19)/t7-,9-,10-,13-/m1/s1
SMILES: C1CCCN(CCC1)[C@@H]2[C@@H](CC3=CC=CC=C23)NS(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C22H28N2O2S/c25-27(26,19-12-5-4-6-13-19)23-21-17-18-11-7-8-14-20(18)22(21)24-15-9-2-1-3-10-16-24/h4-8,11-14,21-23H,1-3,9-10,15-17H2/t21-,22+/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)NC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3)NC(=O)[C@H]4C[C@@H]4C5=CC=CC=C5
InChI: InChI=1S/C26H30N2O2/c29-25(21-15-19(21)17-9-3-1-4-10-17)27-23-13-7-8-14-24(23)28-26(30)22-16-20(22)18-11-5-2-6-12-18/h1-6,9-12,19-24H,7-8,13-16H2,(H,27,29)(H,28,30)/t19-,20-,21+,22+,23-,24-/m1/s1
SMILES: C1CC12[C@@H]3C=C[C@H]2[C@H]4[C@@H]3C(=O)N(C4=O)NC(=O)COC5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C19H16Cl2N2O4/c20-9-1-4-13(12(21)7-9)27-8-14(24)22-23-17(25)15-10-2-3-11(16(15)18(23)26)19(10)5-6-19/h1-4,7,10-11,15-16H,5-6,8H2,(H,22,24)/t10-,11+,15-,16+
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)CC=C(C)OO)C)O)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C
InChI: InChI=1S/C35H60O10/c1-9-33(31-22(4)17-27(40-31)30-21(3)16-23(5)35(38,19-36)43-30)13-12-28(41-33)32(8)14-15-34(45-32)18-26(37)25(7)29(42-34)20(2)10-11-24(6)44-39/h11,20-23,25-31,36-39H,9-10,12-19H2,1-8H3/t20-,21-,22-,23+,25+,26-,27+,28+,29+,30-,31+,32-,33-,34+,35-/m0/s1
SMILES: CCOC1=CC=CC=C1NC(=O)[C@@H]2[C@H](NC(=S)NC2=C)C3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C20H20N4O4S/c1-3-28-16-10-5-4-9-15(16)22-19(25)17-12(2)21-20(29)23-18(17)13-7-6-8-14(11-13)24(26)27/h4-11,17-18H,2-3H2,1H3,(H,22,25)(H2,21,23,29)/t17-,18+/m0/s1
SMILES: C[C@H]1CCC[C@H]2C[C@H]2C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=NC=C(C=C3)C)/C
InChI: InChI=1S/C29H43NO5/c1-17-10-11-23(30-16-17)12-19(3)24-14-22-13-21(22)9-7-8-18(2)27(33)20(4)28(34)29(5,6)25(31)15-26(32)35-24/h10-12,16,18,20-22,24-25,27,31,33H,7-9,13-15H2,1-6H3/b19-12+/t18-,20+,21-,22-,24-,25-,27-/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@H]3[C@@H]2OC(O3)(C)C)C(=O)NCCC(=O)NC4=CC=CC=C4OC)C
InChI: InChI=1S/C22H30N2O8/c1-21(2)29-15-16(30-21)18-20(32-22(3,4)31-18)28-17(15)19(26)23-11-10-14(25)24-12-8-6-7-9-13(12)27-5/h6-9,15-18,20H,10-11H2,1-5H3,(H,23,26)(H,24,25)/t15-,16+,17-,18-,20-/m1/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@H]3CCC(=C(N3C2=O)C(=O)O)C4=CSC(=N4)C5=NC=C(S5)[N+](=O)[O-]
InChI: InChI=1S/C20H16N8O7S3/c1-35-26-12(9-6-37-20(21)24-9)15(29)25-13-10-3-2-7(14(19(31)32)27(10)18(13)30)8-5-36-17(23-8)16-22-4-11(38-16)28(33)34/h4-6,10,13H,2-3H2,1H3,(H2,21,24)(H,25,29)(H,31,32)/b26-12-/t10-,13+/m1/s1
SMILES: C/C(=C/CC[C@@]1(CC[C@@]2([C@@H]([C@H]1O)CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC5C(C(C(CO5)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)CO)CO)/CO
InChI: InChI=1S/C41H70O14/c1-22(17-42)7-6-12-40(20-44)15-16-41(21-45)23(34(40)51)8-9-27-38(4)13-11-28(37(2,3)26(38)10-14-39(27,41)5)54-36-33(29(47)24(46)19-52-36)55-35-32(50)31(49)30(48)25(18-43)53-35/h7,23-36,42-51H,6,8-21H2,1-5H3/b22-7-/t23-,24?,25?,26+,27-,28+,29?,30?,31?,32?,33?,34-,35?,36?,38+,39-,40-,41+/m1/s1
SMILES: CC(=O)[C@@]1(CC[C@H]2[C@@]1(CC[C@H]3[C@@H]2CCC4=CC(=CC[C@]34C)NOCC(=O)[O-])C)O
InChI: InChI=1S/C23H33NO5/c1-14(25)23(28)11-8-19-17-5-4-15-12-16(24-29-13-20(26)27)6-9-21(15,2)18(17)7-10-22(19,23)3/h6,12,17-19,24,28H,4-5,7-11,13H2,1-3H3,(H,26,27)/p-1/t17-,18-,19+,21-,22-,23+/m0/s1
SMILES: C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)(C)C(=O)O
InChI: InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1
SMILES: C\1CN(C(=O)/C1=C/C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\O)/C4=CSC(=N4)N)SC2)C(=O)O)CC(=O)O
InChI: InChI=1S/C19H18N6O8S2/c20-19-21-9(6-35-19)11(23-33)14(28)22-12-16(30)25-13(18(31)32)8(5-34-17(12)25)3-7-1-2-24(15(7)29)4-10(26)27/h3,6,12,17,33H,1-2,4-5H2,(H2,20,21)(H,22,28)(H,26,27)(H,31,32)/b7-3+,23-11-/t12-,17-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H]1C2=CC(=C(C(=C2)OC3=C(C=C(C=C3)[C@H]([C@H](NC(=O)[C@H](NC1=O)C4=CC(=C(C=C4)OC)Br)C(=O)NC)O)[N+](=O)[O-])OC)O
InChI: InChI=1S/C33H36BrN5O12/c1-33(2,3)51-32(45)38-25-17-13-20(40)28(49-6)23(14-17)50-22-10-8-16(12-19(22)39(46)47)27(41)26(29(42)35-4)37-30(43)24(36-31(25)44)15-7-9-21(48-5)18(34)11-15/h7-14,24-27,40-41H,1-6H3,(H,35,42)(H,36,44)(H,37,43)(H,38,45)/t24-,25-,26+,27-/m1/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=CC=C(C=C4)O)C(=O)N(C3=O)C5=CC=C(C=C5)I)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=C(C=C7)I
InChI: InChI=1S/C32H24I2N2O5/c33-17-3-7-19(8-4-17)35-29(38)23-14-13-22-24(27(23)31(35)40)15-25-28(26(22)16-1-11-21(37)12-2-16)32(41)36(30(25)39)20-9-5-18(34)6-10-20/h1-13,23-28,37H,14-15H2/t23-,24+,25+,26-,27-,28+/m0/s1
SMILES: C[C@@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)N[C@@H](C)C2=CC3=CC=CC=C3O2
InChI: InChI=1S/C21H24N2O7/c1-12-7-17(24)15(16(12)10-23(27)28)9-21(26)29-11-20(25)22-13(2)19-8-14-5-3-4-6-18(14)30-19/h3-6,8,12-13,15-16H,7,9-11H2,1-2H3,(H,22,25)/t12-,13+,15-,16-/m1/s1
SMILES: COCO[C@H]1[C@@H](CC(=O)[C@@H]2[C@H]1[C@H]3C[C@@H]2C=C3)C4=CC(=CC=C4)OC
InChI: InChI=1S/C20H24O4/c1-22-11-24-20-16(12-4-3-5-15(9-12)23-2)10-17(21)18-13-6-7-14(8-13)19(18)20/h3-7,9,13-14,16,18-20H,8,10-11H2,1-2H3/t13-,14+,16-,18+,19+,20-/m0/s1
SMILES: C[C@@H]1[C@H]2O[C@@H](CN1CC3=CC=CC=C3)[C@@H](O2)C(=O)OC
InChI: InChI=1S/C15H19NO4/c1-10-15-19-12(13(20-15)14(17)18-2)9-16(10)8-11-6-4-3-5-7-11/h3-7,10,12-13,15H,8-9H2,1-2H3/t10-,12+,13-,15+/m1/s1
SMILES: CCCCCCC[C@H]([C@H](C)C(=O)N1[C@@H]2[C@@H](CC3=CC=CC=C23)OC1=O)OC4CCCCO4
InChI: InChI=1S/C26H37NO5/c1-3-4-5-6-7-14-21(31-23-15-10-11-16-30-23)18(2)25(28)27-24-20-13-9-8-12-19(20)17-22(24)32-26(27)29/h8-9,12-13,18,21-24H,3-7,10-11,14-17H2,1-2H3/t18-,21+,22+,23?,24-/m0/s1
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)[C@H]3[C@@H]4C(=O)O[C@H]([C@H](N4[C@H]([C@@]35C6=C(C=CC(=C6)C#CC7=CCCCC7)NC5=O)C8=CC(=CC=C8)OCCO)C9=CC=CC=C9)C1=CC=CC=C1)OC
InChI: InChI=1S/C54H51N3O8/c1-62-44-31-38-25-26-56(33-40(38)32-45(44)63-2)51(59)46-48-52(60)65-49(37-17-10-5-11-18-37)47(36-15-8-4-9-16-36)57(48)50(39-19-12-20-41(30-39)64-28-27-58)54(46)42-29-35(23-24-43(42)55-53(54)61)22-21-34-13-6-3-7-14-34/h4-5,8-13,15-20,23-24,29-32,46-50,58H,3,6-7,14,25-28,33H2,1-2H3,(H,55,61)/t46-,47-,48-,49+,50+,54-/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)O[C@@H](C)C(=O)NC3=C(N=CC=C3)Cl
InChI: InChI=1S/C19H23ClN4O5/c1-11-6-3-4-8-19(11)17(27)24(18(28)23-19)10-14(25)29-12(2)16(26)22-13-7-5-9-21-15(13)20/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3,(H,22,26)(H,23,28)/t11-,12-,19-/m0/s1
SMILES: C[C@@]12CCC3[C@@](C1CC=C4[C@]2(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)(C[C@H]([C@@H](C3(C)C)O)O)C
InChI: InChI=1S/C42H68O14/c1-37(2)12-14-42(36(52)56-35-32(30(49)28(47)24(19-44)54-35)55-34-31(50)29(48)27(46)23(18-43)53-34)15-13-40(6)20(21(42)16-37)8-9-26-39(5)17-22(45)33(51)38(3,4)25(39)10-11-41(26,40)7/h8,21-35,43-51H,9-19H2,1-7H3/t21?,22-,23-,24-,25?,26?,27-,28-,29+,30+,31-,32-,33+,34+,35+,39+,40-,41-,42+/m1/s1
SMILES: CCCCN1[C@@H]([C@H]([C@@H]([C@H]1COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CNC(=O)C
InChI: InChI=1S/C33H42N2O4/c1-3-4-20-35-30(21-34-26(2)36)32(38-23-28-16-10-6-11-17-28)33(39-24-29-18-12-7-13-19-29)31(35)25-37-22-27-14-8-5-9-15-27/h5-19,30-33H,3-4,20-25H2,1-2H3,(H,34,36)/t30-,31-,32-,33-/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)[O-]
InChI: InChI=1S/C13H12N2O4/c16-13(17)12-9-3-1-2-8(9)10-6-7(15(18)19)4-5-11(10)14-12/h1-2,4-6,8-9,12,14H,3H2,(H,16,17)/p-1/t8-,9+,12+/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@](C2(C)C)(CC1=O)O)O)OC(=O)C[C@H](C4=CC=CC=C4)N(C)C)C)O)OC(=O)C
InChI: InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(38)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(39)28(41-20(3)35)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3/t22-,24+,27+,28-,29+,30+,32-,33-/m1/s1
SMILES: CCCCCCC/C=C/C=C(\C)/C=C/[C@H]1C[C@@H](C[C@@H]1O)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C28H52O2Si/c1-9-10-11-12-13-14-15-16-17-25(8)18-19-26-20-27(21-28(26)29)30-31(22(2)3,23(4)5)24(6)7/h15-19,22-24,26-29H,9-14,20-21H2,1-8H3/b16-15+,19-18+,25-17+/t26-,27-,28-/m0/s1
SMILES: C1COCCN1CCNC(=O)C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)NCC(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C31H37N7O6/c39-18-23-25(40)26(41)31(44-23)38-19-34-24-27(33-17-22(20-7-3-1-4-8-20)21-9-5-2-6-10-21)35-28(36-29(24)38)30(42)32-11-12-37-13-15-43-16-14-37/h1-10,19,22-23,25-26,31,39-41H,11-18H2,(H,32,42)(H,33,35,36)/t23-,25-,26-,31-/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H](C[C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C12H18O7/c1-6-12(19-9(4)15)10(17-7(2)13)5-11(16-6)18-8(3)14/h6,10-12H,5H2,1-4H3/t6-,10-,11-,12-/m1/s1
SMILES: C1CC1C2(O[C@@H]3C=C(C[C@H]([C@@H]3O2)OC(=O)C4=CC=CC=C4I)C(=O)NCC5=CC(=CC=C5)C(=O)NCCO)C6CC6
InChI: InChI=1S/C31H33IN2O7/c32-24-7-2-1-6-23(24)30(38)39-25-15-20(16-26-27(25)41-31(40-26,21-8-9-21)22-10-11-22)29(37)34-17-18-4-3-5-19(14-18)28(36)33-12-13-35/h1-7,14,16,21-22,25-27,35H,8-13,15,17H2,(H,33,36)(H,34,37)/t25-,26-,27+/m1/s1
SMILES: C[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C[C@@]3([C@H]([C@@H]4CC[C@H]3C4)C)C
InChI: InChI=1S/C18H30/c1-11-13-4-5-15(8-13)17(11)10-18(3)12(2)14-6-7-16(18)9-14/h11-17H,4-10H2,1-3H3/t11-,12-,13-,14+,15+,16-,17+,18+/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3C(=O)OC[C@@]3(C(=O)C4=CC5=C(C=C24)OCO5)CO
InChI: InChI=1S/C23H22O9/c1-27-16-4-11(5-17(28-2)20(16)29-3)18-12-6-14-15(32-10-31-14)7-13(12)21(25)23(8-24)9-30-22(26)19(18)23/h4-7,18-19,24H,8-10H2,1-3H3/t18-,19-,23+/m1/s1
SMILES: C[NH+](C)CCCN1C(=O)[C@@H]2CCC3=C([C@@H]2C1=O)C4=CC=CC=C4N3
InChI: InChI=1S/C19H23N3O2/c1-21(2)10-5-11-22-18(23)13-8-9-15-16(17(13)19(22)24)12-6-3-4-7-14(12)20-15/h3-4,6-7,13,17,20H,5,8-11H2,1-2H3/p+1/t13-,17-/m1/s1
SMILES: C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3([C@H](C[C@@H](C4)OC(=O)C)OC(=O)C)COC(=O)C)C
InChI: InChI=1S/C34H52O6/c1-20(2)21(3)9-10-22(4)29-13-14-30-28-12-11-26-17-27(39-24(6)36)18-32(40-25(7)37)34(26,19-38-23(5)35)31(28)15-16-33(29,30)8/h11,20,22,27-32H,3,9-10,12-19H2,1-2,4-8H3/t22-,27-,28+,29-,30+,31+,32+,33-,34+/m1/s1
SMILES: C1=CC=C(C=C1)CC(=O)N/N=C/C2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C21H24N2O7/c24-12-16-18(26)19(27)20(28)21(30-16)29-15-8-6-14(7-9-15)11-22-23-17(25)10-13-4-2-1-3-5-13/h1-9,11,16,18-21,24,26-28H,10,12H2,(H,23,25)/b22-11+/t16-,18-,19+,20-,21-/m1/s1
SMILES: C[C@@H](C(=O)N[C@H]1[C@H](OC2=CC=CC=C2NC1=O)C3=CC=CC=C3)NC(=O)CC4=CC(=CC(=C4)F)F
InChI: InChI=1S/C26H23F2N3O4/c1-15(29-22(32)13-16-11-18(27)14-19(28)12-16)25(33)31-23-24(17-7-3-2-4-8-17)35-21-10-6-5-9-20(21)30-26(23)34/h2-12,14-15,23-24H,13H2,1H3,(H,29,32)(H,30,34)(H,31,33)/t15-,23-,24+/m0/s1
SMILES: CCCC[N+]12CC[C@]34[C@@H]1C[C@@H](/C(=C/C)/C2)C(=C3NC5=CC=CC=C45)C=O
InChI: InChI=1S/C23H28N2O/c1-3-5-11-25-12-10-23-19-8-6-7-9-20(19)24-22(23)18(15-26)17(13-21(23)25)16(4-2)14-25/h4,6-9,15,17,21H,3,5,10-14H2,1-2H3/p+1/b16-4+/t17-,21-,23-,25?/m0/s1
SMILES: CS(=O)(=O)N1CC[C@@H]2[C@H]1C(=O)N(C(=O)N2CC3=CC=CS3)C4=CC(=CC=C4)F
InChI: InChI=1S/C18H18FN3O4S2/c1-28(25,26)21-8-7-15-16(21)17(23)22(13-5-2-4-12(19)10-13)18(24)20(15)11-14-6-3-9-27-14/h2-6,9-10,15-16H,7-8,11H2,1H3/t15-,16+/m1/s1
SMILES: C1=NC(=C(C(=N1)N[C@H]2[C@@H]([C@H]([C@H](O2)CO)O)O)[N+](=O)[O-])N
InChI: InChI=1S/C9H13N5O6/c10-7-4(14(18)19)8(12-2-11-7)13-9-6(17)5(16)3(1-15)20-9/h2-3,5-6,9,15-17H,1H2,(H3,10,11,12,13)/t3-,5+,6-,9-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]([C@](C=C1)(CCO)C2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H38O5Si/c1-27(2,3)34(4,5)33-23-13-14-28(15-16-29,22-11-12-24-25(17-22)32-20-31-24)26(18-23)30-19-21-9-7-6-8-10-21/h6-14,17,23,26,29H,15-16,18-20H2,1-5H3/t23-,26-,28+/m0/s1
SMILES: COC1=CC=C(C=C1)C(=O)O[C@H]([C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C=C)C4=C5C=C(C=CC5=NC=C4)OC
InChI: InChI=1S/C28H30N2O4/c1-4-18-17-30-14-12-20(18)15-26(30)27(34-28(31)19-5-7-21(32-2)8-6-19)23-11-13-29-25-10-9-22(33-3)16-24(23)25/h4-11,13,16,18,20,26-27H,1,12,14-15,17H2,2-3H3/p+1/t18-,20-,26+,27-/m0/s1
SMILES: C[C@H]([C@@H](C1=CC=C(C=C1)O)O)[C@@H](C(=O)N[C@@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)C(=O)O)N
InChI: InChI=1S/C21H27N5O9/c1-8(14(28)9-2-4-10(27)5-3-9)12(23)18(31)25-13(20(32)33)17-15(29)16(30)19(35-17)26-7-6-11(22)24-21(26)34/h2-8,12-17,19,27-30H,23H2,1H3,(H,25,31)(H,32,33)(H2,22,24,34)/t8-,12-,13-,14-,15-,16+,17+,19+/m0/s1
SMILES: C1C[C@@H]([C@H](C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H18O4/c20-18(14-8-3-1-4-9-14)22-16-12-7-13-17(16)23-19(21)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2/t16-,17-/m0/s1
SMILES: CC(=O)[C@H]1CCC(C[C@@H]1O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C20H22O2/c1-15(21)18-12-13-20(14-19(18)22,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19,22H,12-14H2,1H3/t18-,19+/m1/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=C(C=CC=C8OC)O)C(=O)NC7=O)C
InChI: InChI=1S/C35H31ClN4O6S/c1-15-19-12-16(36)8-11-25(19)47-30(15)22-14-26(39(3)38-22)40-33(44)21-13-20-17(9-10-18-27(20)32(43)37-31(18)42)29(35(21,2)34(40)45)28-23(41)6-5-7-24(28)46-4/h5-9,11-12,14,18,20-21,27,29,41H,10,13H2,1-4H3,(H,37,42,43)/t18-,20+,21-,27-,29+,35+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OC2=C(C=C3C=C(C=CC3=C2)Br)C(=O)NC4=CC=CC=C4OC)CO)O)O
InChI: InChI=1S/C26H27BrN2O8/c1-13(31)28-22-24(33)23(32)21(12-30)37-26(22)36-20-11-14-7-8-16(27)9-15(14)10-17(20)25(34)29-18-5-3-4-6-19(18)35-2/h3-11,21-24,26,30,32-33H,12H2,1-2H3,(H,28,31)(H,29,34)/t21-,22-,23+,24-,26-/m1/s1
SMILES: CC(C)(C)OC(=O)[C@H]1[C@@H](CC[C@@H]1SC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)CO
InChI: InChI=1S/C24H27NO3S2/c1-24(2,3)28-23(27)21-16(14-26)10-13-20(21)29-17-11-8-15(9-12-17)22-25-18-6-4-5-7-19(18)30-22/h4-9,11-12,16,20-21,26H,10,13-14H2,1-3H3/t16-,20-,21-/m0/s1
SMILES: CC1=CC(=CC=C1)NC(=O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC(=O)OCC=C)OC(=O)OCC=C)OC)CO
InChI: InChI=1S/C23H29NO11/c1-5-10-30-22(27)34-18-17(33-21(26)24-15-9-7-8-14(3)12-15)16(13-25)32-20(29-4)19(18)35-23(28)31-11-6-2/h5-9,12,16-20,25H,1-2,10-11,13H2,3-4H3,(H,24,26)/t16-,17-,18+,19-,20+/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CCOCCO)[C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=CC(=C5)[N+](=O)[O-])OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C51H75N3O12/c1-4-6-7-8-9-10-11-12-13-18-31-63-50(58)53(26-32-62-33-29-57)47-37-45(52-61-3)43-34-38(20-14-16-27-55)42(23-15-17-28-56)48-44-36-41(65-40-22-19-21-39(35-40)54(59)60)24-25-46(44)66-51(47,49(43)48)64-30-5-2/h5,19,21-22,24-25,34-36,38,42,47-49,55-57H,2,4,6-18,20,23,26-33,37H2,1,3H3/t38-,42+,47-,48+,49+,51+/m0/s1
SMILES: C[NH+](CC1=C(C=CC(=C1)Br)OC)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C18H23BrN2O3/c1-20(10-12-9-13(19)7-8-16(12)24-2)11-21-17(22)14-5-3-4-6-15(14)18(21)23/h7-9,14-15H,3-6,10-11H2,1-2H3/p+1/t14-,15-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H]1[C@@H]3[C@H](C2)C(=C)CC[C@@H](C3(C)C)O
InChI: InChI=1S/C15H24O/c1-8-5-6-12(16)15(3,4)14-10(8)7-11-9(2)13(11)14/h9-14,16H,1,5-7H2,2-4H3/t9-,10-,11-,12+,13+,14+/m1/s1
SMILES: C[C@H]1[C@@H]2CC[C@@]3(CC4=C([C@H]([C@@H]3[C@H]2OC1=O)C)N=C(S4)NC(=O)C5=CN=CC=C5)C
InChI: InChI=1S/C22H25N3O3S/c1-11-14-6-7-22(3)9-15-17(12(2)16(22)18(14)28-20(11)27)24-21(29-15)25-19(26)13-5-4-8-23-10-13/h4-5,8,10-12,14,16,18H,6-7,9H2,1-3H3,(H,24,25,26)/t11-,12-,14-,16+,18-,22+/m0/s1
SMILES: CC1=C(C=CC2=C1N[C@@H]([C@@H]3[C@@H]2C=CC3)C4=CC=CC=C4F)C(=O)[O-]
InChI: InChI=1S/C20H18FNO2/c1-11-12(20(23)24)9-10-15-13-6-4-7-14(13)19(22-18(11)15)16-5-2-3-8-17(16)21/h2-6,8-10,13-14,19,22H,7H2,1H3,(H,23,24)/p-1/t13-,14-,19-/m0/s1
SMILES: CCC[C@@H]1[C@@]2([C@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C/C4=CN=C5C=CC(=CC5=C4)Cl)C)C)NC(=O)O2)C
InChI: InChI=1S/C43H60ClN3O10/c1-11-13-33-43(8)37(46-41(52)57-43)25(4)34(48)23(2)21-42(7,53-17-12-14-28-19-29-20-30(44)15-16-31(29)45-22-28)38(26(5)35(49)27(6)39(51)55-33)56-40-36(50)32(47(9)10)18-24(3)54-40/h12,14-16,19-20,22-27,32-33,36-38,40,50H,11,13,17-18,21H2,1-10H3,(H,46,52)/b14-12+/t23-,24-,25+,26+,27-,32+,33-,36-,37+,38-,40+,42-,43-/m1/s1
SMILES: CCCCC(C)/C=C(\C)/C=C(\C)/C(=O)NC1=C[C@@]([C@H]2[C@@H](C1=O)O2)(/C=C/C=C/C=C/C(=O)O)O
InChI: InChI=1S/C26H33NO6/c1-5-6-11-17(2)14-18(3)15-19(4)25(31)27-20-16-26(32,24-23(33-24)22(20)30)13-10-8-7-9-12-21(28)29/h7-10,12-17,23-24,32H,5-6,11H2,1-4H3,(H,27,31)(H,28,29)/b8-7+,12-9+,13-10+,18-14+,19-15+/t17?,23-,24-,26-/m1/s1
SMILES: C[C@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OC3CCCC3)CCOCC4=CC=CC=C4)C)O
InChI: InChI=1S/C28H39NO4/c1-21(30)28(2)20-29(15-16-32-19-22-9-5-4-6-10-22)18-25(28)23-13-14-26(31-3)27(17-23)33-24-11-7-8-12-24/h4-6,9-10,13-14,17,21,24-25,30H,7-8,11-12,15-16,18-20H2,1-3H3/t21-,25+,28+/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3C2=CC[C@]4([C@H]3CC[C@]4(C)O)C
InChI: InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h7,12,15,17,22H,4-6,8-11H2,1-3H3/t15-,17+,18+,19+,20+/m1/s1
SMILES: CCOC(=O)OCOP(=O)(O)O[C@@H]1[C@H](C([C@H]([C@H](C1OP(=O)(O)OCOC(=O)OCC)OP(=O)(O)OCOC(=O)OCC)O)O)O
InChI: InChI=1S/C18H33O24P3/c1-4-31-16(22)34-7-37-43(25,26)40-13-11(20)10(19)12(21)14(41-44(27,28)38-8-35-17(23)32-5-2)15(13)42-45(29,30)39-9-36-18(24)33-6-3/h10-15,19-21H,4-9H2,1-3H3,(H,25,26)(H,27,28)(H,29,30)/t10?,11-,12+,13-,14-,15?/m1/s1
SMILES: C[C@@]12C[C@H](C([C@]1(CC(=O)[C@@]3(C2CC=C4C3C=C(C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O
InChI: InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17?,19-,20?,23?,27+,28-,29+,30+/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3
InChI: InChI=1S/C20H25NO5/c1-2-25-20(24)14-5-7-17(8-6-14)21-18(22)12-26-19(23)11-16-10-13-3-4-15(16)9-13/h5-8,13,15-16H,2-4,9-12H2,1H3,(H,21,22)/t13-,15-,16-/m1/s1
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3[C@H]4[C@@H]3CN(C4)C(=O)N)F
InChI: InChI=1S/C18H21FN4O4/c1-9(24)21-5-11-6-23(18(26)27-11)10-2-3-12(15(19)4-10)16-13-7-22(17(20)25)8-14(13)16/h2-4,11,13-14,16H,5-8H2,1H3,(H2,20,25)(H,21,24)/t11-,13-,14+,16?/m0/s1
SMILES: CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCC2=CC=C(C=C2)N(C)C)NC(=O)CC3=CC=CC=C3)C(=O)NC[C@@H](CN4C[C@H]5CCCC[C@H]5C[C@H]4C(=O)NC(C)(C)C)O)C
InChI: InChI=1S/C42H63N7O5S/c1-41(2,3)47-37(52)33-22-29-15-11-12-16-30(29)25-49(33)26-32(50)24-44-39(54)36-42(4,5)55-40(46-36)35(45-34(51)21-27-13-9-8-10-14-27)38(53)43-23-28-17-19-31(20-18-28)48(6)7/h8-10,13-14,17-20,29-30,32-33,35-36,40,46,50H,11-12,15-16,21-26H2,1-7H3,(H,43,53)(H,44,54)(H,45,51)(H,47,52)/t29-,30+,32-,33-,35+,36-,40+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@H]([C@@H]2[C@@H](C=CO2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C27H22O7/c28-25(19-10-4-1-5-11-19)32-18-23(34-27(30)21-14-8-3-9-15-21)24-22(16-17-31-24)33-26(29)20-12-6-2-7-13-20/h1-17,22-24H,18H2/t22-,23-,24+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)NC3=CC=CC=C3N4CCCC4
InChI: InChI=1S/C21H27N3O3/c25-19(22-17-9-3-4-10-18(17)23-12-5-6-13-23)11-14-24-20(26)15-7-1-2-8-16(15)21(24)27/h3-4,9-10,15-16H,1-2,5-8,11-14H2,(H,22,25)/t15-,16-/m0/s1
SMILES: C[C@H]1/C=C/C=C/CCC(=O)CC/C(=C(\CC[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)/C)/COC
InChI: InChI=1S/C28H50O3Si/c1-21(2)32(22(3)4,23(5)6)31-28-19-16-24(7)26(20-30-9)17-18-27(29)15-13-11-10-12-14-25(28)8/h10-12,14,21-23,25,28H,13,15-20H2,1-9H3/b11-10+,14-12+,26-24+/t25-,28-/m0/s1
SMILES: CC[C@@H]1C=CC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]([C@@H](C)CC=O)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H42O5Si/c1-10-18-11-12-21(25)27-20(18)15-19(28-29(8,9)23(4,5)6)17(3)22(26-7)16(2)13-14-24/h11-12,14,16-20,22H,10,13,15H2,1-9H3/t16-,17-,18+,19+,20+,22+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl
InChI: InChI=1S/C20H21ClN2O6/c1-11-4-2-3-5-14(11)22-20(27)23-18(25)10-28-19(26)17-9-15(24)13-8-12(21)6-7-16(13)29-17/h6-9,11,14H,2-5,10H2,1H3,(H2,22,23,25,27)/t11-,14-/m1/s1
SMILES: COCC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC4=C(C=C3)OCCO4
InChI: InChI=1S/C16H18N2O6S2/c1-22-7-15(19)17-16-18(11-8-26(20,21)9-14(11)25-16)10-2-3-12-13(6-10)24-5-4-23-12/h2-3,6,11,14H,4-5,7-9H2,1H3/t11-,14-/m0/s1
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)OCC3=CC=C(C=C3)C4O[13CH2][13C@@H]5[13CH](O4)[13C@@H]([13C@H]([13C@@H](O5)NC(=O)CCl)O)O)NC(=O)N2
InChI: InChI=1S/C26H34ClN3O9S/c27-9-18(31)29-24-22(34)21(33)23-16(38-24)11-37-25(39-23)14-7-5-13(6-8-14)10-36-19(32)4-2-1-3-17-20-15(12-40-17)28-26(35)30-20/h5-8,15-17,20-25,33-34H,1-4,9-12H2,(H,29,31)(H2,28,30,35)/t15-,16+,17-,20-,21+,22+,23?,24+,25?/m0/s1/i11+1,16+1,21+1,22+1,23+1,24+1
SMILES: CCC[C@@H]([C@H]1C[C@H]([C@]2([C@@H](O2)CC)[C@@H](O1)O)O)C(=O)C3=C(C(=C(C(=C3)[C@H](C(C)C)OC)O)C=O)O
InChI: InChI=1S/C25H36O9/c1-6-8-13(17-10-18(27)25(24(31)33-17)19(7-2)34-25)20(28)14-9-15(23(32-5)12(3)4)22(30)16(11-26)21(14)29/h9,11-13,17-19,23-24,27,29-31H,6-8,10H2,1-5H3/t13-,17+,18+,19-,23-,24+,25-/m0/s1
SMILES: CCC1=CC=C(C=C1)[C@H](CN[C@@H]2CS(=O)(=O)C[C@H]2O)N(C)C
InChI: InChI=1S/C16H26N2O3S/c1-4-12-5-7-13(8-6-12)15(18(2)3)9-17-14-10-22(20,21)11-16(14)19/h5-8,14-17,19H,4,9-11H2,1-3H3/t14-,15+,16-/m1/s1
SMILES: CC(C)C(=O)O[C@@H]1C[C@H](O[C@@H]1CO)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H23N3O6/c1-12(2)19(26)29-14-10-17(28-15(14)11-24)23-9-8-16(22-20(23)27)21-18(25)13-6-4-3-5-7-13/h3-9,12,14-15,17,24H,10-11H2,1-2H3,(H,21,22,25,27)/t14-,15-,17+/m1/s1
SMILES: C1COC2=C(O1)C=CC(=C2)[C@@H]3[C@H](C(=O)C4=C(O3)C=CC(=C4)O)O
InChI: InChI=1S/C17H14O6/c18-10-2-4-12-11(8-10)15(19)16(20)17(23-12)9-1-3-13-14(7-9)22-6-5-21-13/h1-4,7-8,16-18,20H,5-6H2/t16-,17+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O
InChI: InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15-,16+,17+,18-,19+,21-,22-,23-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)CC2=CC=C(C=C2)Cl
InChI: InChI=1S/C18H24ClNO3/c1-12-4-3-5-16(13(12)2)20-17(21)11-23-18(22)10-14-6-8-15(19)9-7-14/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,20,21)/t12-,13+,16-/m1/s1
SMILES: C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCNP(=O)(OC)OC)C)C
InChI: InChI=1S/C32H57N2O5P/c1-22(2)9-8-10-23(3)27-13-14-28-26-12-11-24-21-25(15-17-31(24,4)29(26)16-18-32(27,28)5)39-30(35)33-19-20-34-40(36,37-6)38-7/h11,22-23,25-29H,8-10,12-21H2,1-7H3,(H,33,35)(H,34,36)/t23-,25+,26?,27?,28+,29+,31+,32-/m1/s1