EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1(CCCN(C1)C2=CC(=C(C=C2)O)C(=O)C3=CC=C(C=C3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)C5=CC=NC=C5)C.Cl.Cl.Cl
InChI: InChI=1S/C33H39N5O4.3ClH/c1-33(2)14-4-18-38(21-33)25-10-11-29(39)26(19-25)30(40)22-6-8-23(9-7-22)31(41)36-27-5-3-15-35-20-28(27)37-32(42)24-12-16-34-17-13-24;;;/h6-13,16-17,19,27-28,35,39H,3-5,14-15,18,20-21H2,1-2H3,(H,36,41)(H,37,42);3*1H/t27-,28-;;;/m1.../s1
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H]([C@@H]1O[Si](C)(C)C(C)(C)C)C)S(=O)(=O)C2=CC=CC=C2)O)O
InChI: InChI=1S/C20H34O5SSi/c1-13-16(21)17(22)19(26(23,24)15-11-9-8-10-12-15)14(2)18(13)25-27(6,7)20(3,4)5/h8-14,16-19,21-22H,1-7H3/t13-,14+,16+,17+,18+,19-/m0/s1
SMILES: C[C@]12CC3=C(C=C1CC[C@]2(CC=C)O)N(N=C3)C4=CC=C(C=C4)F
InChI: InChI=1S/C20H21FN2O/c1-3-9-20(24)10-8-15-11-18-14(12-19(15,20)2)13-22-23(18)17-6-4-16(21)5-7-17/h3-7,11,13,24H,1,8-10,12H2,2H3/t19-,20-/m0/s1
SMILES: CC=C(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
InChI: InChI=1S/C29H48O/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/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
SMILES: CCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)[C@H]3CC(=C(C[C@H]3C(=O)[O-])C)C)C
InChI: InChI=1S/C23H28N2O3S/c1-5-6-16-7-9-17(10-8-16)20-15(4)29-23(24-20)25-21(26)18-11-13(2)14(3)12-19(18)22(27)28/h7-10,18-19H,5-6,11-12H2,1-4H3,(H,27,28)(H,24,25,26)/p-1/t18-,19+/m0/s1
SMILES: CC[C@]12CC=C3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3CCC(=C4)N5CCCC5
InChI: InChI=1S/C23H33NO/c1-2-23-12-11-19-18-8-6-17(24-13-3-4-14-24)15-16(18)5-7-20(19)21(23)9-10-22(23)25/h11,15,20-22,25H,2-10,12-14H2,1H3/t20-,21+,22+,23+/m1/s1
SMILES: C/C/1=C/CC(=O)[C@]([C@@H]([C@H]([C@@H]2[C@@H](C1)OC(=O)C2=C)OC(=O)CC(C)C)O)(C)O
InChI: InChI=1S/C20H28O7/c1-10(2)8-15(22)27-17-16-12(4)19(24)26-13(16)9-11(3)6-7-14(21)20(5,25)18(17)23/h6,10,13,16-18,23,25H,4,7-9H2,1-3,5H3/b11-6-/t13-,16+,17+,18-,20+/m1/s1
SMILES: CCN(CC)C(=O)[C@]1(C[C@H]1[C@H](C=O)NC(=O)OC(C)(C)C)C2=CC=CC=C2
InChI: InChI=1S/C21H30N2O4/c1-6-23(7-2)18(25)21(15-11-9-8-10-12-15)13-16(21)17(14-24)22-19(26)27-20(3,4)5/h8-12,14,16-17H,6-7,13H2,1-5H3,(H,22,26)/t16-,17-,21+/m0/s1
SMILES: CC[C@H](C)[C@@H](C(=O)O[C@H]1[C@@H](C(C(=C)[C@@]2([C@@]1([C@@H](CC2=O)C3=COC=C3)C)O)[C@]4([C@H](C[C@]5(OC[C@@]([C@@H]4CC(=O)OC)(O5)C)O)OC(=O)C)C)OC=O)O
InChI: InChI=1S/C36H48O15/c1-9-18(2)28(41)31(42)50-30-29(47-17-37)27(19(3)36(44)24(39)12-22(34(30,36)7)21-10-11-46-15-21)33(6)23(13-26(40)45-8)32(5)16-48-35(43,51-32)14-25(33)49-20(4)38/h10-11,15,17-18,22-23,25,27-30,41,43-44H,3,9,12-14,16H2,1-2,4-8H3/t18-,22-,23-,25-,27?,28-,29+,30-,32-,33+,34+,35+,36+/m0/s1
SMILES: C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)OC(=O)C)C2=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C(C5CC[C@@]4([C@]3(CC2)C)C)(C)C)C)O
InChI: InChI=1S/C32H50O5/c1-18(16-23(36-19(2)33)27-29(5,6)37-27)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(35)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34H,10-17H2,1-9H3/t18-,22+,23+,24?,26+,27-,30+,31+,32+/m1/s1
SMILES: C[C@@H]1CC[C@H](N([C@H]1C2=CC=C(C=C2)C#CCOC)C(=O)C(F)(F)F)C(=O)OC
InChI: InChI=1S/C20H22F3NO4/c1-13-6-11-16(18(25)28-3)24(19(26)20(21,22)23)17(13)15-9-7-14(8-10-15)5-4-12-27-2/h7-10,13,16-17H,6,11-12H2,1-3H3/t13-,16+,17-/m1/s1
SMILES: C[C@]12CC[C@@](CC1[C@@]3(CC[C@@]4(C([C@]3(CC2)C)CC(=O)C5=C(C(=C(C=C54)O)O)C=O)C)C)(C)C(=O)OC
InChI: InChI=1S/C30H40O6/c1-26-7-8-27(2,25(35)36-6)15-22(26)30(5)12-10-28(3)18-13-20(33)24(34)17(16-31)23(18)19(32)14-21(28)29(30,4)11-9-26/h13,16,21-22,33-34H,7-12,14-15H2,1-6H3/t21?,22?,26-,27-,28+,29-,30+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)N[C@H](C(=O)N2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F
InChI: InChI=1S/C20H27FN4O2/c21-14-5-7-15(8-6-14)24-9-11-25(12-10-24)19(26)13-18-20(27)23-17-4-2-1-3-16(17)22-18/h5-8,16-18,22H,1-4,9-13H2,(H,23,27)/t16-,17+,18+/m1/s1
SMILES: C[Si](C)(C)CCOC(=O)N1CCC(=O)[C@H]2[C@@]1(CCCC2)CCC=C
InChI: InChI=1S/C19H33NO3Si/c1-5-6-11-19-12-8-7-9-16(19)17(21)10-13-20(19)18(22)23-14-15-24(2,3)4/h5,16H,1,6-15H2,2-4H3/t16-,19-/m0/s1
SMILES: CCOC1=CC=CC=C1[C@@H]2[C@H](C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C#N
InChI: InChI=1S/C22H19N3O2S/c1-2-27-19-11-7-6-10-16(19)20-17(12-23)21(26)25-22(18(20)13-24)28-14-15-8-4-3-5-9-15/h3-11,17,20H,2,14H2,1H3,(H,25,26)/t17-,20-/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5C4=O)CSC6=NC=CN6C
InChI: InChI=1S/C32H31N3O5S/c1-20-27(19-41-32-33-15-16-34(32)2)39-31(40-28(20)23-11-9-22(18-36)10-12-23)24-13-7-21(8-14-24)17-35-29(37)25-5-3-4-6-26(25)30(35)38/h3-16,20,27-28,31,36H,17-19H2,1-2H3/t20-,27+,28+,31+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](CC([C@@H]([C@H](C([C@H](C(=O)O1)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)O)C)C(=S)NC=C)C)O)(C)O
InChI: InChI=1S/C32H59N3O9S/c1-12-23-32(9,41)26(38)21(7)35(30(45)33-13-2)16-17(3)15-31(8,40)27(19(5)24(36)20(6)28(39)43-23)44-29-25(37)22(34(10)11)14-18(4)42-29/h13,17-27,29,36-38,40-41H,2,12,14-16H2,1,3-11H3,(H,33,45)/t17-,18-,19+,20-,21-,22+,23-,24?,25-,26-,27-,29+,31?,32-/m1/s1
SMILES: CC[C@H]1CN(CC[C@H]1CC(=O)NCC2=CC=C(C=C2)F)C(=O)NC3=CC(=CC=C3)OC
InChI: InChI=1S/C24H30FN3O3/c1-3-18-16-28(24(30)27-21-5-4-6-22(14-21)31-2)12-11-19(18)13-23(29)26-15-17-7-9-20(25)10-8-17/h4-10,14,18-19H,3,11-13,15-16H2,1-2H3,(H,26,29)(H,27,30)/t18-,19-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C21H22N2O4/c24-19(15-10-4-5-11-16(15)21(26)27)23-18-13-7-6-12-17(18)20(25)22-14-8-2-1-3-9-14/h1-3,6-9,12-13,15-16H,4-5,10-11H2,(H,22,25)(H,23,24)(H,26,27)/t15-,16-/m1/s1
SMILES: CN1CCN(CC1)[C@@H]2[C@H]([C@H](OC3=CC=CC=C23)C4=CC=C(C=C4)OC)O
InChI: InChI=1S/C21H26N2O3/c1-22-11-13-23(14-12-22)19-17-5-3-4-6-18(17)26-21(20(19)24)15-7-9-16(25-2)10-8-15/h3-10,19-21,24H,11-14H2,1-2H3/t19-,20+,21+/m0/s1
SMILES: C[C@@]12CCC(C1CC[C@]3(C2CC4=C(C=CC(=C43)OS(=O)(=O)[O-])OS(=O)(=O)[O-])C)[C@]5(CCC6[C@]5(CCC7[C@@](O6)(CCCC7(C)C)C)C)C.[Na+].[Na+]
InChI: InChI=1S/C36H54O9S2.2Na/c1-31(2)15-8-16-36(7)27(31)13-19-35(6)29(43-36)14-20-34(35,5)24-12-17-32(3)23(24)11-18-33(4)28(32)21-22-25(44-46(37,38)39)9-10-26(30(22)33)45-47(40,41)42;;/h9-10,23-24,27-29H,8,11-21H2,1-7H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/t23?,24?,27?,28?,29?,32-,33+,34-,35-,36+;;/m1../s1
SMILES: CC1C(CCO1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)C#C)O)O
InChI: InChI=1S/C16H19N5O4/c1-3-10-12(22)13(23)16(25-10)21-7-19-11-14(17-6-18-15(11)21)20-9-4-5-24-8(9)2/h1,6-10,12-13,16,22-23H,4-5H2,2H3,(H,17,18,20)/t8?,9?,10-,12-,13-,16-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C
InChI: InChI=1S/C21H31N3O4/c1-14(2)23-21(27)22-12-16-8-10-17(11-9-16)20(26)28-13-19(25)24-18-7-5-4-6-15(18)3/h8-11,14-15,18H,4-7,12-13H2,1-3H3,(H,24,25)(H2,22,23,27)/t15-,18-/m0/s1
SMILES: COC(=O)[C@]1([C@@H]2[C@@H](CC3=C2C=C(N3CC4=CC=C(C=C4)OC(F)(F)F)C(=O)N5CCCC5)CN1C(=O)C6=CC=CC=C6)CC7=CC=CC=C7
InChI: InChI=1S/C38H36F3N3O5/c1-48-36(47)37(22-25-10-4-2-5-11-25)33-28(24-44(37)34(45)27-12-6-3-7-13-27)20-31-30(33)21-32(35(46)42-18-8-9-19-42)43(31)23-26-14-16-29(17-15-26)49-38(39,40)41/h2-7,10-17,21,28,33H,8-9,18-20,22-24H2,1H3/t28-,33+,37+/m0/s1
SMILES: COC(=O)C(CC#CC1=CC2=C(C=C1)NC(=O)[C@@]23[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCN(CC8)C9=NC=CC=N9)C(=O)OC
InChI: InChI=1S/C51H48N6O10/c1-64-46(60)36(47(61)65-2)19-11-13-32-21-22-38-37(31-32)51(49(63)54-38)40(45(59)55-25-27-56(28-26-55)50-52-23-12-24-53-50)42-48(62)67-43(34-16-7-4-8-17-34)41(33-14-5-3-6-15-33)57(42)44(51)35-18-9-10-20-39(35)66-30-29-58/h3-10,12,14-18,20-24,31,36,40-44,58H,19,25-30H2,1-2H3,(H,54,63)/t40-,41-,42-,43+,44+,51-/m1/s1
SMILES: COC(=O)[C@]1([C@@H](C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5
InChI: InChI=1S/C30H25N3O3/c1-36-29(35)30(31-28(34)24-18-10-4-11-19-24)26(22-14-6-2-7-15-22)27(23-16-8-3-9-17-23)32-33(30)25-20-12-5-13-21-25/h2-21,26H,1H3,(H,31,34)/t26-,30-/m1/s1
SMILES: C[C@@H]1CC[C@H]2CC(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)CCCC5=CC=C(C=C5)Cl
InChI: InChI=1S/C22H27ClO5/c1-14-4-7-16-13-19(24)25-20-22(16)18(14)10-12-21(26-20,27-28-22)11-2-3-15-5-8-17(23)9-6-15/h5-6,8-9,14,16,18,20H,2-4,7,10-13H2,1H3/t14-,16+,18+,20-,21-,22+/m1/s1
SMILES: C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C(F)(F)F)O)C
InChI: InChI=1S/C20H29F3O2/c1-17-8-5-13(24)11-12(17)3-4-14-15(17)6-9-18(2)16(14)7-10-19(18,25)20(21,22)23/h12,14-16,25H,3-11H2,1-2H3/t12-,14+,15-,16-,17-,18-,19-/m0/s1
SMILES: C[C@@H]1CC=C(C[C@H]1C(=O)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)C
InChI: InChI=1S/C23H23NO3S/c1-16-12-13-17(2)20(14-16)23(25)21-15-24(22-11-7-6-10-19(21)22)28(26,27)18-8-4-3-5-9-18/h3-12,15,17,20H,13-14H2,1-2H3/t17-,20-/m1/s1
SMILES: C[C@H](C[C@]1([C@H](CCC(O1)O)N=[N+]=[N-])[C@@H](CCCOCC2=CC=CC=C2)OC)COCOCCOC
InChI: InChI=1S/C25H41N3O7/c1-20(17-34-19-33-15-14-30-2)16-25(22(27-28-26)11-12-24(29)35-25)23(31-3)10-7-13-32-18-21-8-5-4-6-9-21/h4-6,8-9,20,22-24,29H,7,10-19H2,1-3H3/t20-,22+,23-,24?,25+/m1/s1
SMILES: COC1=CC(=C(C=C1)/C=N\N2C(=O)[C@H]3[C@@H]4CC[C@H]([C@@H]3C2=O)C=C4)OC
InChI: InChI=1S/C19H20N2O4/c1-24-14-8-7-13(15(9-14)25-2)10-20-21-18(22)16-11-3-4-12(6-5-11)17(16)19(21)23/h3-4,7-12,16-17H,5-6H2,1-2H3/b20-10-/t11-,12+,16-,17-/m0/s1
SMILES: C[C@]12CCCC[C@@]1([C@H]3CC[C@@]4([C@@H](CC[C@]4([C@@H]3CC2)C)O)C)C
InChI: InChI=1S/C21H36O/c1-18-10-5-6-11-19(18,2)15-8-13-21(4)17(22)9-14-20(21,3)16(15)7-12-18/h15-17,22H,5-14H2,1-4H3/t15-,16+,17+,18+,19+,20-,21+/m0/s1
SMILES: [H][C@]1([C@H](C2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C1=N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)CC[C@H]1CCCC[C@]1(C([2H])OC(=O)C1=CC=C(C=C1)F)O)[2H]
InChI: InChI=1S/C60H51FN4O3/c61-46-28-25-43(26-29-46)59(66)68-38-60(67)36-14-13-23-45(60)27-24-44-37-53-56(41-19-9-3-10-20-41)51-33-32-49(63-51)54(39-15-5-1-6-16-39)47-30-31-48(62-47)55(40-17-7-2-8-18-40)50-34-35-52(64-50)57(58(44)65-53)42-21-11-4-12-22-42/h1-12,15-22,25-26,28-35,44-45,63-64,67H,13-14,23-24,27,36-38H2/t44-,45-,60-/m1/s1/i37D,38D/t37-,38?,44-,45-,60-
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC=CC=[N+]2[O-]
InChI: InChI=1S/C16H22N2O4/c1-11-7-3-4-8-13(11)17-15(19)12(2)22-16(20)14-9-5-6-10-18(14)21/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,17,19)/t11-,12+,13+/m0/s1
SMILES: C1CC[S@@](=O)[C@](C1)(C2=CN=CC=C2)C(=S)NC3=CC=CC=C3
InChI: InChI=1S/C17H18N2OS2/c20-22-12-5-4-10-17(22,14-7-6-11-18-13-14)16(21)19-15-8-2-1-3-9-15/h1-3,6-9,11,13H,4-5,10,12H2,(H,19,21)/t17-,22-/m1/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@@H]3CCCC[C@@]3(CC[NH+]2CC4=CC=CC=C4Cl)O
InChI: InChI=1S/C23H28ClNO2/c1-27-21-12-5-3-9-18(21)22-19-10-6-7-13-23(19,26)14-15-25(22)16-17-8-2-4-11-20(17)24/h2-5,8-9,11-12,19,22,26H,6-7,10,13-16H2,1H3/p+1/t19-,22-,23-/m0/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C(=C5Br)Br)O)O[C@H]3C(=O)CC4
InChI: InChI=1S/C17H17Br2NO3/c1-20-5-4-17-8-2-3-10(21)16(17)23-15-11(17)7(6-9(8)20)12(18)13(19)14(15)22/h8-9,16,22H,2-6H2,1H3/t8-,9+,16-,17-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C
InChI: InChI=1S/C28H40O3/c1-24(2)12-14-28(23(30)31)15-13-26(4)20(21(28)17-24)6-7-22-25(3)10-9-19(29)16-18(25)8-11-27(22,26)5/h6,16,21-22H,7-15,17H2,1-5H3,(H,30,31)/t21-,22+,25-,26+,27+,28-/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@H](NC3=C(C=CC(=C23)Cl)O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H15Cl2NO/c19-11-6-4-10(5-7-11)17-13-3-1-2-12(13)16-14(20)8-9-15(22)18(16)21-17/h1-2,4-9,12-13,17,21-22H,3H2/t12-,13+,17-/m1/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H]([C@H]([C@@H](S2)N3C=CC(=NC3=O)NC(=O)C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C34H57N3O6SSi3/c1-22(2)46(23(3)4)40-21-27-29(42-47(43-46,24(5)6)25(7)8)30(41-45(12,13)34(9,10)11)32(44-27)37-20-19-28(36-33(37)39)35-31(38)26-17-15-14-16-18-26/h14-20,22-25,27,29-30,32H,21H2,1-13H3,(H,35,36,38,39)/t27-,29-,30-,32-/m1/s1
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CCC4=O)C)OC(=O)C)C
InChI: InChI=1S/C23H34O5/c1-13(24)27-16-9-10-22(3)15(11-16)5-6-17-18-7-8-20(26)23(18,4)21(12-19(17)22)28-14(2)25/h15-19,21H,5-12H2,1-4H3/t15-,16-,17+,18+,19+,21+,22+,23+/m1/s1
SMILES: C/C(=C\[C@H]([C@@H]1[C@H]2C[C@H](O1)CC/C(=C/C/C=C(\C(CC(=O)O2)OC(=O)C)/OC(=O)C)/Cl)O)/CC(=O)O
InChI: InChI=1S/C24H31ClO10/c1-13(10-22(29)30)9-18(28)24-21-11-17(34-24)8-7-16(25)5-4-6-19(32-14(2)26)20(33-15(3)27)12-23(31)35-21/h5-6,9,17-18,20-21,24,28H,4,7-8,10-12H2,1-3H3,(H,29,30)/b13-9+,16-5-,19-6+/t17-,18-,20?,21-,24-/m1/s1
SMILES: COC1=C(C=C2C(=C1)C=CCN3[C@]24CCC(=O)C[C@]4([C@H](C3=O)OS(=O)(=O)C)C(=O)OC)OC
InChI: InChI=1S/C22H25NO9S/c1-29-16-10-13-6-5-9-23-19(25)18(32-33(4,27)28)21(20(26)31-3)12-14(24)7-8-22(21,23)15(13)11-17(16)30-2/h5-6,10-11,18H,7-9,12H2,1-4H3/t18-,21-,22+/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC=C(C6=CC=CC=C56)O)C(=O)N(C4=O)CCC(=O)O)Cl
InChI: InChI=1S/C28H24Cl2N2O7/c1-31-25(38)27(29)12-18-16(6-7-17-21(18)24(37)32(23(17)36)11-10-20(34)35)22(28(27,30)26(31)39)15-8-9-19(33)14-5-3-2-4-13(14)15/h2-6,8-9,17-18,21-22,33H,7,10-12H2,1H3,(H,34,35)/t17-,18+,21-,22-,27+,28-/m0/s1
SMILES: C[C@@H]1CCC[C@@](O1)([C@@H](C(=O)N[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)OC)OCO2)O)OC
InChI: InChI=1S/C18H31NO10/c1-9-5-4-6-18(25-3,29-9)15(22)16(23)19-17-14-13(26-8-27-17)12(24-2)11(21)10(7-20)28-14/h9-15,17,20-22H,4-8H2,1-3H3,(H,19,23)/t9-,10-,11-,12+,13-,14+,15-,17+,18-/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])O[P+](OC5=CC=CC=C5)(OC6=CC=CC=C6)OC7=CC=CC=C7.[Cl-]
InChI: InChI=1S/C40H32N3O11PS.ClH/c44-35(26-49-30-13-5-1-6-14-30)41-36-38(45)42-37(40(46)50-25-28-21-23-29(24-22-28)43(47)48)34(27-56-39(36)42)54-55(51-31-15-7-2-8-16-31,52-32-17-9-3-10-18-32)53-33-19-11-4-12-20-33;/h1-24,36,39H,25-27H2;1H/t36-,39-;/m1./s1
SMILES: CCOC(=O)C1=NN[C@@H]2[C@@H]1C(=O)N(C2=O)CCNC3=C(C=C(C=N3)C(F)(F)F)Cl
InChI: InChI=1S/C16H15ClF3N5O4/c1-2-29-15(28)11-9-10(23-24-11)14(27)25(13(9)26)4-3-21-12-8(17)5-7(6-22-12)16(18,19)20/h5-6,9-10,23H,2-4H2,1H3,(H,21,22)/t9-,10+/m0/s1
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N)C2=CC=C(C=C2)NC(=O)[C@H]3C[C@H]3C4=CC(=CC=C4)C(=N)N
InChI: InChI=1S/C24H24N4O3S/c1-14-5-10-22(32(27,30)31)20(11-14)15-6-8-18(9-7-15)28-24(29)21-13-19(21)16-3-2-4-17(12-16)23(25)26/h2-12,19,21H,13H2,1H3,(H3,25,26)(H,28,29)(H2,27,30,31)/t19-,21-/m0/s1
SMILES: CCCCCCCC(=O)O.C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N
InChI: InChI=1S/C12H17NO3.C8H16O2/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15;1-2-3-4-5-6-7-8(9)10/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15);2-7H2,1H3,(H,9,10)/b3-2+,6-5+;/t10-,11-;/m1./s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H]4CS(=O)(=O)C[C@@H]4O
InChI: InChI=1S/C20H20N2O4S2/c1-2-13-7-9-14(10-8-13)22-19(24)15-5-3-4-6-16(15)21-20(22)27-18-12-28(25,26)11-17(18)23/h3-10,17-18,23H,2,11-12H2,1H3/t17-,18+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)C([C@H]2COC[C@@H]2CC3=CC(=C(C=C3)O)OC)O
InChI: InChI=1S/C21H26O7/c1-25-17-7-12(4-5-16(17)22)6-14-10-28-11-15(14)20(23)13-8-18(26-2)21(24)19(9-13)27-3/h4-5,7-9,14-15,20,22-24H,6,10-11H2,1-3H3/t14-,15-,20?/m0/s1
SMILES: C[C@]1(CCC(=C[C@@H]1N2CCOC2=O)O[Si](C)(C)C(C)(C)C)C=O
InChI: InChI=1S/C17H29NO4Si/c1-16(2,3)23(5,6)22-13-7-8-17(4,12-19)14(11-13)18-9-10-21-15(18)20/h11-12,14H,7-10H2,1-6H3/t14-,17-/m0/s1
SMILES: CC(C)(C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)/C=C/C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C27H26N4O8S/c1-27(2,3)39-26(34)23-18(10-9-17-11-12-19(30(35)36)14-20(17)31(37)38)15-40-25-22(24(33)29(23)25)28-21(32)13-16-7-5-4-6-8-16/h4-12,14,22,25H,13,15H2,1-3H3,(H,28,32)/b10-9+/t22-,25-/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C24H18Cl2N2O4/c1-31-17-10-8-15(9-11-17)27-23(29)20-21(18-12-7-14(25)13-19(18)26)28(32-22(20)24(27)30)16-5-3-2-4-6-16/h2-13,20-22H,1H3/t20-,21-,22+/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)SC2=CC=C(C=C2)N)C(C(CO)O)O)O)O
InChI: InChI=1S/C15H21NO8S/c16-7-1-3-8(4-2-7)25-15(14(22)23)5-9(18)11(20)13(24-15)12(21)10(19)6-17/h1-4,9-13,17-21H,5-6,16H2,(H,22,23)/t9-,10?,11+,12?,13+,15-/m0/s1
SMILES: CC(C)C[C@@H](C(=O)OC)NC[C@@H]1[C@H](CC[C@@H](O1)CNC(=O)C(CSSC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O
InChI: InChI=1S/C36H51N3O7S2/c1-22(2)17-29(34(42)44-6)37-19-32-31(40)16-15-23(46-32)18-38-33(41)30(21-47-48-36(3,4)5)39-35(43)45-20-28-26-13-9-7-11-24(26)25-12-8-10-14-27(25)28/h7-14,22-23,28-32,37,40H,15-21H2,1-6H3,(H,38,41)(H,39,43)/t23-,29+,30?,31+,32-/m1/s1
SMILES: C1C[C@H](OC1)CN([C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO)C(=O)C5=CC=C(C=C5)C(F)(F)F
InChI: InChI=1S/C28H29F3N2O6/c29-28(30,31)17-9-7-16(8-10-17)27(37)33(15-18-4-3-13-38-18)21-14-20(26(36)32-11-12-34)23-19-5-1-2-6-22(19)39-25(23)24(21)35/h1-2,5-10,14,18,21,23-25,34-35H,3-4,11-13,15H2,(H,32,36)/t18-,21+,23-,24-,25-/m0/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC=C3C=C4CCC5[C@](O5)(CC[C@@H]6[C@@H]4CC6(C)C)C)C(=O)NCCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C52H78N2O10/c1-9-11-15-25-52(26-16-12-10-2)61-42-31-36(47(58)53-28-24-44(56)54-37(33-55)20-22-45(57)63-49(3,4)5)30-41(46(42)64-52)60-48(59)38-18-14-13-17-34(38)29-35-19-21-43-51(8,62-43)27-23-40-39(35)32-50(40,6)7/h13-14,17-18,29,31,37,39-43,46,55H,9-12,15-16,19-28,30,32-33H2,1-8H3,(H,53,58)(H,54,56)/t37-,39+,40+,41+,42+,43?,46-,51+/m0/s1
SMILES: CC[Si](CC)(CC)OC[C@]12CC[C@H](C1)[C@@H]2O[Si](CC)(CC)CC
InChI: InChI=1S/C19H40O2Si2/c1-7-22(8-2,9-3)20-16-19-14-13-17(15-19)18(19)21-23(10-4,11-5)12-6/h17-18H,7-16H2,1-6H3/t17-,18+,19+/m1/s1
SMILES: CCNC(=O)NC1=CC=CC(=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CN4CC[C@@H](C4)O
InChI: InChI=1S/C26H35N3O5/c1-3-27-26(32)28-21-6-4-5-20(13-21)25-33-23(15-29-12-11-22(31)14-29)17(2)24(34-25)19-9-7-18(16-30)8-10-19/h4-10,13,17,22-25,30-31H,3,11-12,14-16H2,1-2H3,(H2,27,28,32)/t17-,22+,23+,24+,25+/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]2CN([C@H]2[C@@H]1Br)C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C15H16BrNO4/c1-9(18)21-14-11-7-17(13(11)12(14)16)15(19)20-8-10-5-3-2-4-6-10/h2-6,11-14H,7-8H2,1H3/t11-,12-,13+,14-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](N3[C@@H](C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C=CC(=C6)Cl)C(=O)C7=CC=CC=C7
InChI: InChI=1S/C34H24ClNO4/c1-40-24-15-11-20(12-16-24)29-30(31(37)21-7-3-2-4-8-21)36-27-17-14-23(35)19-22(27)13-18-28(36)34(29)32(38)25-9-5-6-10-26(25)33(34)39/h2-19,28-30H,1H3/t28-,29-,30+/m1/s1
SMILES: CC/C(=C\C[C@@H]1[C@@H](C[C@@H]([C@@H](O1)C/C=C/C#C)Cl)Br)/Br
InChI: InChI=1S/C15H19Br2ClO/c1-3-5-6-7-15-13(18)10-12(17)14(19-15)9-8-11(16)4-2/h1,5-6,8,12-15H,4,7,9-10H2,2H3/b6-5+,11-8+/t12-,13+,14-,15+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@@H]2C(=O)N(C3=O)CCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H17N3O5/c22-14(19-12-2-1-3-13(9-12)21(25)26)6-7-20-17(23)15-10-4-5-11(8-10)16(15)18(20)24/h1-5,9-11,15-16H,6-8H2,(H,19,22)/t10-,11+,15-,16-/m1/s1
SMILES: COC(=O)[C@@H]1C[C@@H]2CC[C@H](C[C@@H]2N1CC3=CC=C(C=C3)Cl)O
InChI: InChI=1S/C17H22ClNO3/c1-22-17(21)16-8-12-4-7-14(20)9-15(12)19(16)10-11-2-5-13(18)6-3-11/h2-3,5-6,12,14-16,20H,4,7-10H2,1H3/t12-,14+,15-,16-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1C[C@@H]2NC(=O)C3=CC=C(C=C3)[C@H]4N(C(=O)CS4)CCC5=CC=CC=C5
InChI: InChI=1S/C25H28N2O2S/c28-23-16-30-25(27(23)13-12-17-4-2-1-3-5-17)20-10-8-19(9-11-20)24(29)26-22-15-18-6-7-21(22)14-18/h1-5,8-11,18,21-22,25H,6-7,12-16H2,(H,26,29)/t18-,21+,22+,25+/m1/s1
SMILES: CC(=O)N(C[C@H]1CCCO1)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C24H33IN2O8/c1-14(30)27(12-17-4-3-7-34-17)19-10-16(24(32)26-5-6-28)11-20(22(19)31)35-23-18(25)8-15(13-29)9-21(23)33-2/h8-9,11,17,19-20,22,28-29,31H,3-7,10,12-13H2,1-2H3,(H,26,32)/t17-,19-,20+,22+/m1/s1
SMILES: C1=CC=C2C3[C@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O
InChI: InChI=1S/C25H17NO4/c27-23-21-19-15-8-1-2-9-16(15)20(18-11-4-3-10-17(18)19)22(21)24(28)26(23)14-7-5-6-13(12-14)25(29)30/h1-12,19-22H,(H,29,30)/t19?,20?,21-,22-/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C=CC7=CC(=C(C=C7)O)OC)C(=O)N(C5=O)N(C)C8=C(C=CC(=N8)C(F)(F)F)Cl
InChI: InChI=1S/C43H37ClF3N5O6/c1-23-9-13-26(14-10-23)49-51-39(55)31-22-29-27(15-16-28-36(29)40(56)52(38(28)54)50(2)37-32(44)18-20-35(48-37)43(45,46)47)30(17-11-24-12-19-33(53)34(21-24)58-3)42(31,41(51)57)25-7-5-4-6-8-25/h4-15,17-21,28-31,36,49,53H,16,22H2,1-3H3/t28-,29+,30-,31-,36-,42-/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)N2C[C@@H]([C@H](C2=O)CC3=CC=CC=C3)COCC4=CC=CC=C4
InChI: InChI=1S/C27H29NO2/c1-21(24-15-9-4-10-16-24)28-18-25(20-30-19-23-13-7-3-8-14-23)26(27(28)29)17-22-11-5-2-6-12-22/h2-16,21,25-26H,17-20H2,1H3/t21-,25-,26-/m1/s1
SMILES: CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@@](N(C1=O)C(=O)NCC4=CC=CC=N4)(CC5=CC=CC=C5)C(=O)NCC6=CC=CC=C6)C(=O)N(C3=O)C7=CC=CC=C7
InChI: InChI=1S/C41H39N5O5/c1-2-31-32-21-22-33-34(38(49)45(36(33)47)30-19-10-5-11-20-30)35(32)41(24-27-14-6-3-7-15-27,39(50)43-25-28-16-8-4-9-17-28)46(37(31)48)40(51)44-26-29-18-12-13-23-42-29/h3-20,23,33-35H,2,21-22,24-26H2,1H3,(H,43,50)(H,44,51)/t33-,34-,35+,41+/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)NC(=O)C4=CN=CC=C4)CSC5=NC=NN5
InChI: InChI=1S/C27H27N5O4S/c1-17-23(15-37-27-29-16-30-32-27)35-26(36-24(17)19-9-7-18(14-33)8-10-19)20-4-2-6-22(12-20)31-25(34)21-5-3-11-28-13-21/h2-13,16-17,23-24,26,33H,14-15H2,1H3,(H,31,34)(H,29,30,32)/t17-,23+,24+,26+/m0/s1
SMILES: CC1=C(C=CC(=C1)C(=O)N2CCC[C@@H]3[C@@H]2CCCC3)[N+](=O)[O-]
InChI: InChI=1S/C17H22N2O3/c1-12-11-14(8-9-15(12)19(21)22)17(20)18-10-4-6-13-5-2-3-7-16(13)18/h8-9,11,13,16H,2-7,10H2,1H3/t13-,16+/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)OC3=CC4=CC=CC=C4C=C3)C(=O)[O-]
InChI: InChI=1S/C24H23NO4/c26-23(21-7-3-4-8-22(21)24(27)28)25-18-10-13-19(14-11-18)29-20-12-9-16-5-1-2-6-17(16)15-20/h1-2,5-6,9-15,21-22H,3-4,7-8H2,(H,25,26)(H,27,28)/p-1/t21-,22+/m1/s1
SMILES: C[C@H]1[C@@H]2CC[C@@]3(C=CC(=O)C(=C3[C@@H]2OC1=O)C)C
InChI: InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13+,15+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC(=S)N2CCN(CC2)C(=S)S[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C34H46N2O18S4/c1-15(37)45-13-23-25(47-17(3)39)27(49-19(5)41)29(51-21(7)43)31(53-23)57-33(55)35-9-11-36(12-10-35)34(56)58-32-30(52-22(8)44)28(50-20(6)42)26(48-18(4)40)24(54-32)14-46-16(2)38/h23-32H,9-14H2,1-8H3/t23-,24-,25+,26+,27+,28+,29-,30-,31-,32-/m1/s1
SMILES: CC(=O)[C@]1(CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CCC5(C4)OCCO5)C)C)O
InChI: InChI=1S/C23H34O4/c1-15(24)23(25)9-7-19-17-5-4-16-14-22(26-12-13-27-22)11-10-20(16,2)18(17)6-8-21(19,23)3/h4,17-19,25H,5-14H2,1-3H3/t17-,18+,19+,20-,21-,23-/m0/s1
SMILES: CCCN(CC1=NN=C(O1)C2=CC=CS2)CC(=O)N[C@H]3CCCC[C@@H]3C
InChI: InChI=1S/C19H28N4O2S/c1-3-10-23(12-17(24)20-15-8-5-4-7-14(15)2)13-18-21-22-19(25-18)16-9-6-11-26-16/h6,9,11,14-15H,3-5,7-8,10,12-13H2,1-2H3,(H,20,24)/t14-,15-/m0/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]([C@@H](O[C@@H]1OC2=CC=CC=C2CC=C)CO)O)O
InChI: InChI=1S/C17H23NO6/c1-3-6-11-7-4-5-8-12(11)23-17-14(18-10(2)20)16(22)15(21)13(9-19)24-17/h3-5,7-8,13-17,19,21-22H,1,6,9H2,2H3,(H,18,20)/t13-,14-,15+,16+,17-/m0/s1
SMILES: COC1=CC=CC=C1N2C(=O)[C@@H]3[C@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C24H20N2O4/c1-29-19-15-9-8-14-18(19)25-23(27)20-21(16-10-4-2-5-11-16)26(30-22(20)24(25)28)17-12-6-3-7-13-17/h2-15,20-22H,1H3/t20-,21-,22-/m1/s1
SMILES: CCOC(=O)N[C@@H]1[C@@H](C=CC2=CC=CC=C12)CC3=COC4=CC=CC=C43
InChI: InChI=1S/C22H21NO3/c1-2-25-22(24)23-21-16(12-11-15-7-3-4-9-19(15)21)13-17-14-26-20-10-6-5-8-18(17)20/h3-12,14,16,21H,2,13H2,1H3,(H,23,24)/t16-,21+/m0/s1
SMILES: C/C(=N/O)/C1=CC=C(C=C1)N2C(=O)[C@@H]3CC=C(C[C@@H]3C2=O)Cl
InChI: InChI=1S/C16H15ClN2O3/c1-9(18-22)10-2-5-12(6-3-10)19-15(20)13-7-4-11(17)8-14(13)16(19)21/h2-6,13-14,22H,7-8H2,1H3/b18-9-/t13-,14+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI: InChI=1S/C26H24N2O5/c1-16-4-8-18(9-5-16)27-25(29)22-23(17-6-12-20(31-2)13-7-17)28(33-24(22)26(27)30)19-10-14-21(32-3)15-11-19/h4-15,22-24H,1-3H3/t22-,23-,24+/m1/s1
SMILES: CC1=C(C(=C(C=C1)O)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)O[C@@H]4CO[C@H]5[C@@H]4OCC5)O
InChI: InChI=1S/C35H42N2O8/c1-22-13-14-28(38)23(2)33(22)44-21-32(40)36-26(17-24-9-5-3-6-10-24)19-29(39)27(18-25-11-7-4-8-12-25)37-35(41)45-31-20-43-30-15-16-42-34(30)31/h3-14,26-27,29-31,34,38-39H,15-21H2,1-2H3,(H,36,40)(H,37,41)/t26-,27-,29-,30+,31+,34-/m0/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC[C@@]([C@H]3CO)(C#N)O[Si](C)(C)C)C)(C)C
InChI: InChI=1S/C23H41NO2Si/c1-20(2)11-8-12-21(3)17(20)9-13-22(4)18(21)10-14-23(16-24,19(22)15-25)26-27(5,6)7/h17-19,25H,8-15H2,1-7H3/t17-,18+,19-,21-,22+,23-/m0/s1