EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC(=CC=C1)N(CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C(=O)C4=CC=CO4
InChI: InChI=1S/C21H20N2O4/c1-14-6-4-7-15(12-14)22(21(26)18-10-5-11-27-18)13-23-19(24)16-8-2-3-9-17(16)20(23)25/h2-7,10-12,16-17H,8-9,13H2,1H3/t16-,17+
SMILES: CC(C)NC(=NCCCN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O)NC(C)C
InChI: InChI=1S/C26H38N4O3/c1-15(2)28-25(29-16(3)4)27-11-5-12-30-13-10-26-18-7-9-21(32)24(26)33-23-20(31)8-6-17(22(23)26)14-19(18)30/h6-9,15-16,18-19,21,24,31-32H,5,10-14H2,1-4H3,(H2,27,28,29)/t18-,19+,21-,24-,26-/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O
InChI: InChI=1S/C6H16O17P4/c7-2-1-3(20-24(8,9)10)5(22-26(14,15)16)6(23-27(17,18)19)4(2)21-25(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/t2-,3+,4+,5-,6-/m1/s1
SMILES: COC1=CC(=C(C(=C1)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)C9=NC1=CC=CC=C1O9)O
InChI: InChI=1S/C49H38N2O8/c1-57-31-23-38(52)43(40(24-31)58-2)44-32-21-22-33-42(48(56)51(47(33)55)30-19-17-28(18-20-30)46-50-37-15-9-10-16-39(37)59-46)35(32)25-36-45(54)34(27-11-5-3-6-12-27)26-41(53)49(36,44)29-13-7-4-8-14-29/h3-21,23-24,26,33,35-36,42,44,52H,22,25H2,1-2H3/t33-,35+,36-,42-,44+,49-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C5=NC6=CC=CC=C6C(=O)O5
InChI: InChI=1S/C23H16N2O4/c26-21-18-13-5-6-14(11-13)19(18)22(27)25(21)15-9-7-12(8-10-15)20-24-17-4-2-1-3-16(17)23(28)29-20/h1-10,13-14,18-19H,11H2/t13-,14+,18-,19-/m0/s1
SMILES: C[C@]12CC[C@](CC1C3=CCC4[C@]5(CC[C@@H]([C@](C5CC[C@]4(C3(CC2)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O
InChI: InChI=1S/C42H64O16/c1-37-13-14-38(2,36(53)54)17-20(37)19-7-8-22-39(3)11-10-23(40(4,18-43)21(39)9-12-42(22,6)41(19,5)16-15-37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h7,20-31,34-35,43-48H,8-18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)/t20?,21?,22?,23-,24-,25-,26-,27-,28+,29-,30-,31+,34-,35+,37+,38-,39-,40+,41?,42+/m0/s1
SMILES: C[Si](C)(C)/C=C/[C@H]1[C@@H]([C@H]1C(=O)N2CCCC2)C3=CC=CC=C3
InChI: InChI=1S/C19H27NOSi/c1-22(2,3)14-11-16-17(15-9-5-4-6-10-15)18(16)19(21)20-12-7-8-13-20/h4-6,9-11,14,16-18H,7-8,12-13H2,1-3H3/b14-11+/t16-,17-,18-/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2[C@@H](C3=CC=CO3)NCC4=CC=C(C=C4)OC)OC)C
InChI: InChI=1S/C21H27NO6/c1-21(2)27-18-17(26-20(24-4)19(18)28-21)16(15-6-5-11-25-15)22-12-13-7-9-14(23-3)10-8-13/h5-11,16-20,22H,12H2,1-4H3/t16-,17-,18-,19-,20-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OS(=O)(=O)C(F)(F)F)N2C=NC3=C(N=CN=C32)N)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C32H28F3N5O7S/c1-20(41)45-26-24(17-44-31(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23)46-30(27(26)47-48(42,43)32(33,34)35)40-19-39-25-28(36)37-18-38-29(25)40/h2-16,18-19,24,26-27,30H,17H2,1H3,(H2,36,37,38)/t24-,26-,27-,30-/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)N3CCC[C@H]3C4=C(C=CC(=C4)OC)OC
InChI: InChI=1S/C23H31N3O5/c1-15-7-4-5-11-23(15)21(28)26(22(29)24-23)14-20(27)25-12-6-8-18(25)17-13-16(30-2)9-10-19(17)31-3/h9-10,13,15,18H,4-8,11-12,14H2,1-3H3,(H,24,29)/t15-,18+,23-/m1/s1
SMILES: COC(=O)N1C2=CC=CC=C2[C@@]34C1=C[C@H]5CCN([C@@H]3C5)C[C@H]4SC6=CC=CC=C6
InChI: InChI=1S/C24H24N2O2S/c1-28-23(27)26-19-10-6-5-9-18(19)24-20-13-16(14-21(24)26)11-12-25(20)15-22(24)29-17-7-3-2-4-8-17/h2-10,14,16,20,22H,11-13,15H2,1H3/t16-,20+,22+,24-/m0/s1
SMILES: CCOC(=O)C1=CN(C2=NC(=C(C=C2C1=O)F)N3C[C@H]([C@H](C3)Cl)CNC(=O)C)C4CC4
InChI: InChI=1S/C21H24ClFN4O4/c1-3-31-21(30)15-9-27(13-4-5-13)19-14(18(15)29)6-17(23)20(25-19)26-8-12(16(22)10-26)7-24-11(2)28/h6,9,12-13,16H,3-5,7-8,10H2,1-2H3,(H,24,28)/t12-,16+/m1/s1
SMILES: CC(=O)C1=CN2[C@@H](C=C1)C([C@H]([C@@H]2C(=O)N)C3=CN=CC=C3)(C#N)C#N
InChI: InChI=1S/C18H15N5O2/c1-11(24)13-4-5-14-18(9-19,10-20)15(12-3-2-6-22-7-12)16(17(21)25)23(14)8-13/h2-8,14-16H,1H3,(H2,21,25)/t14-,15-,16+/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C30H53N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(35)31-25-21-22-33(30(38)32-25)29-28(37)27(36)24(23-34)39-29/h21-22,24,27-29,34,36-37H,2-20,23H2,1H3,(H,31,32,35,38)/t24-,27-,28+,29-/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=COC=C3)C(=O)O)C
InChI: InChI=1S/C14H16N2O5S/c1-14(2)10(13(19)20)16-11(18)9(12(16)22-14)15-8(17)5-7-3-4-21-6-7/h3-4,6,9-10,12H,5H2,1-2H3,(H,15,17)(H,19,20)/t9-,10+,12-/m1/s1
SMILES: C/C(=C/1\[C@H]2[C@H](C2(C)C)CC1=O)/NC(=O)C3=C(N=C(C=C3)Cl)Cl
InChI: InChI=1S/C16H16Cl2N2O2/c1-7(12-10(21)6-9-13(12)16(9,2)3)19-15(22)8-4-5-11(17)20-14(8)18/h4-5,9,13H,6H2,1-3H3,(H,19,22)/b12-7+/t9-,13-/m1/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=CC(=C5)C=O)CCCCO)CCCCO)OCC=C)N(C)C(=O)C=CC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C46H53N3O10/c1-4-25-56-46-42(48(3)43(53)22-17-31-15-18-34(19-16-31)49(54)55)29-40(47-57-5-2)38-27-33(12-6-8-23-50)37(14-7-9-24-51)44(45(38)46)39-28-36(20-21-41(39)59-46)58-35-13-10-11-32(26-35)30-52/h4,10-11,13,15-22,26-28,30,33,37,42,44-45,50-51H,1,5-9,12,14,23-25,29H2,2-3H3/t33-,37+,42-,44+,45+,46+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)[C@@H]3[C@@H](O3)CO)C
InChI: InChI=1S/C11H18O6/c1-11(2)16-8-7(6-5(4-12)14-6)15-10(13-3)9(8)17-11/h5-10,12H,4H2,1-3H3/t5-,6-,7+,8+,9+,10+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@H]2C[C@]3(CCCN3[C@H]1CC4=CC=C(C=C4)OC)CC[C@H]2O
InChI: InChI=1S/C25H41NO3Si/c1-24(2,3)30(5,6)29-23-20-17-25(14-12-22(20)27)13-7-15-26(25)21(23)16-18-8-10-19(28-4)11-9-18/h8-11,20-23,27H,7,12-17H2,1-6H3/t20-,21-,22+,23-,25-/m0/s1
SMILES: C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(C=C[C@@H](C5)O)C)N6N4C(=O)N(C6=O)C7=CC=CC=C7)C)OC(=O)C
InChI: InChI=1S/C31H37N3O5/c1-19(39-20(2)35)23-10-11-24-28(23,3)14-13-25-29(4)15-12-22(36)18-30(29)16-17-31(24,25)34-27(38)32(26(37)33(30)34)21-8-6-5-7-9-21/h5-9,12,15-17,19,22-25,36H,10-11,13-14,18H2,1-4H3/t19-,22+,23-,24-,25-,28-,29-,30-,31+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@@H]([C@H]([C@H](O2)OC)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H22O9S/c1-10-5-7-13(8-6-10)27(20,21)23-9-14-15(24-11(2)18)16(25-12(3)19)17(22-4)26-14/h5-8,14-17H,9H2,1-4H3/t14-,15+,16-,17+/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)C3=C4C(=C(C=C3)Br)C=CC=N4
InChI: InChI=1S/C17H13BrN2O2/c18-13-7-8-14(15-12(13)6-3-9-19-15)20-16(21)10-4-1-2-5-11(10)17(20)22/h1-3,6-11H,4-5H2/t10-,11-/m0/s1
SMILES: CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)C[C@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C18H22Cl2N2O2/c1-22(17(24)9-13-8-11-5-6-12(13)7-11)10-16(23)21-18-14(19)3-2-4-15(18)20/h2-4,11-13H,5-10H2,1H3,(H,21,23)/t11-,12+,13+/m0/s1
SMILES: C1CCC(CC1)NC(=O)C(C2=CC(=CC=C2)[N+](=O)[O-])N3[C@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C21H25N3O4/c25-20(22-15-8-2-1-3-9-15)19(14-7-6-10-16(13-14)24(27)28)23-18-12-5-4-11-17(18)21(23)26/h4-7,10,13,15,17-19H,1-3,8-9,11-12H2,(H,22,25)/t17-,18+,19?/m1/s1
SMILES: C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C22H30N4O3/c1-24-12-14-25(15-13-24)17-8-6-16(7-9-17)23-20(27)10-11-26-21(28)18-4-2-3-5-19(18)22(26)29/h6-9,18-19H,2-5,10-15H2,1H3,(H,23,27)/p+1/t18-,19-/m0/s1
SMILES: CCCCSC1=C([C@@H]([C@@H](C(=O)N1)C(=O)OCC)C2=CC=CC=C2OCC)C#N
InChI: InChI=1S/C21H26N2O4S/c1-4-7-12-28-20-15(13-22)17(14-10-8-9-11-16(14)26-5-2)18(19(24)23-20)21(25)27-6-3/h8-11,17-18H,4-7,12H2,1-3H3,(H,23,24)/t17-,18-/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@@H]3[C@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=C(N(C(=O)S5)C6=CC=CC=C6)Cl
InChI: InChI=1S/C26H17ClFN3O4S/c27-23-22(36-26(34)29(23)16-7-3-1-4-8-16)20-19-21(35-31(20)18-9-5-2-6-10-18)25(33)30(24(19)32)17-13-11-15(28)12-14-17/h1-14,19-21H/t19-,20+,21+/m1/s1
SMILES: C[C@@]12CC[C@H](C[C@@H]1CC[C@H]3[C@@H]2CC[C@@]4([C@@H]3CCC4=O)C)O
InChI: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14+,15+,16-,18+,19+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C2=NN(N=C2C)C3=CC=CC=C3
InChI: InChI=1S/C19H24N4O3/c1-13-8-6-7-11-16(13)20-17(24)12-26-19(25)18-14(2)21-23(22-18)15-9-4-3-5-10-15/h3-5,9-10,13,16H,6-8,11-12H2,1-2H3,(H,20,24)/t13-,16-/m1/s1
SMILES: CC(=O)N/C=C/S(=O)C1=C(N2[C@H](C1)[C@@H](C2=O)C(C)(C)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C21H23N3O8S/c1-12(25)22-8-9-33(31)16-10-15-17(21(2,3)28)19(26)23(15)18(16)20(27)32-11-13-4-6-14(7-5-13)24(29)30/h4-9,15,17,28H,10-11H2,1-3H3,(H,22,25)/b9-8+/t15-,17+,33?/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC(=O)C(F)(F)F)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)OC(=O)C)N=[N+]=[N-]
InChI: InChI=1S/C37H39F3N4O14/c1-13-33(58-24-10-20(43-44-41)34(14(2)55-24)56-16(4)46)19(42-35(51)37(38,39)40)9-23(54-13)57-22-12-36(52,15(3)45)11-18-26(22)32(50)28-27(30(18)48)29(47)17-7-6-8-21(53-5)25(17)31(28)49/h6-8,13-14,19-20,22-24,33-34,48,50,52H,9-12H2,1-5H3,(H,42,51)/t13-,14-,19-,20-,22-,23-,24-,33+,34+,36-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)N
InChI: InChI=1S/C19H25N3O2S/c1-11-7-6-10-16(12(11)2)22-18(24)14-8-4-5-9-15(14)21-19(22)25-13(3)17(20)23/h4-5,8-9,11-13,16H,6-7,10H2,1-3H3,(H2,20,23)/t11-,12-,13+,16+/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)OCC(=O)NCC3=CC=CC=C3
InChI: InChI=1S/C20H22N2O5/c23-17(21-12-14-6-2-1-3-7-14)13-27-18(24)10-11-22-19(25)15-8-4-5-9-16(15)20(22)26/h1-7,15-16H,8-13H2,(H,21,23)/t15-,16+
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@H]2C(=O)OC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H19NO4S/c1-16-12-14-19(15-13-16)28(25,26)23-20(17-8-4-2-5-9-17)21(23)22(24)27-18-10-6-3-7-11-18/h2-15,20-21H,1H3/t20-,21+,23?/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6)CN7CCC[C@H]7C(=O)OC(C)(C)C
InChI: InChI=1S/C48H53N3O7/c1-32-43(30-51-26-10-17-42(51)45(53)58-48(2,3)4)56-46(57-44(32)35-20-18-33(31-52)19-21-35)38-14-9-13-37(28-38)36-12-8-11-34(27-36)29-49-47(54)50-39-22-24-41(25-23-39)55-40-15-6-5-7-16-40/h5-9,11-16,18-25,27-28,32,42-44,46,52H,10,17,26,29-31H2,1-4H3,(H2,49,50,54)/t32-,42-,43+,44+,46+/m0/s1
SMILES: CCCCCCCC(=O)O[C@@H]1C/C=C(/CC2[C@H]3[C@@H]4C(C[C@H](C3=O)C)[C@H](CO[C@@]1(C4O2)C)C)\C
InChI: InChI=1S/C28H44O5/c1-6-7-8-9-10-11-23(29)33-22-13-12-17(2)14-21-25-24-20(15-18(3)26(25)30)19(4)16-31-28(22,5)27(24)32-21/h12,18-22,24-25,27H,6-11,13-16H2,1-5H3/b17-12+/t18-,19+,20?,21?,22-,24+,25+,27?,28+/m1/s1
SMILES: C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/p-1/t16-,18-,19-,20+,21-,22+,23-,25+,26-/m1/s1
SMILES: C[C@]1([C@]2(C3=CC(=C(C=C3CCN2C(=O)S1)OC)OC)C)CC4=CC=CC=C4
InChI: InChI=1S/C22H25NO3S/c1-21(14-15-8-6-5-7-9-15)22(2)17-13-19(26-4)18(25-3)12-16(17)10-11-23(22)20(24)27-21/h5-9,12-13H,10-11,14H2,1-4H3/t21-,22-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=C(N=C3OC4=CC=C(C=C4)Cl)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H44ClN5O4Si2/c1-27(2,3)39(7,8)35-16-21-20(38-40(9,10)28(4,5)6)15-22(37-21)34-17-31-23-24(34)32-26(30)33-25(23)36-19-13-11-18(29)12-14-19/h11-14,17,20-22H,15-16H2,1-10H3,(H2,30,32,33)/t20-,21+,22+/m0/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](CCC2=CC=CC=C2)O)C/C=C\CCCC(=O)N)O
InChI: InChI=1S/C23H33NO4/c24-23(28)11-7-2-1-6-10-19-20(22(27)16-21(19)26)15-14-18(25)13-12-17-8-4-3-5-9-17/h1,3-6,8-9,14-15,18-22,25-27H,2,7,10-13,16H2,(H2,24,28)/b6-1-,15-14+/t18-,19+,20+,21-,22+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](C(=NN1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC
InChI: InChI=1S/C20H20N2O4/c1-3-26-20(24)18-16(13-9-11-15(25-2)12-10-13)17(21-22-18)19(23)14-7-5-4-6-8-14/h4-12,16,18,22H,3H2,1-2H3/t16-,18+/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=CN(N=N2)C[C@H]3C[C@@H]4CC[NH+]3C[C@@H]4C(=O)NCC5=CC=C(C=C5)F
InChI: InChI=1S/C28H34FN5O/c1-28(2,3)22-8-6-20(7-9-22)26-18-34(32-31-26)16-24-14-21-12-13-33(24)17-25(21)27(35)30-15-19-4-10-23(29)11-5-19/h4-11,18,21,24-25H,12-17H2,1-3H3,(H,30,35)/p+1/t21-,24+,25-/m0/s1
SMILES: C[C@]12CCC[C@@]3([C@H]1C[C@H]4[C@@H](C2)OC(=O)[C@@H]4C[NH+]5CCN(CC5)C(=O)C6=CC=CO6)CO3
InChI: InChI=1S/C24H32N2O5/c1-23-5-3-6-24(15-30-24)20(23)12-16-17(22(28)31-19(16)13-23)14-25-7-9-26(10-8-25)21(27)18-4-2-11-29-18/h2,4,11,16-17,19-20H,3,5-10,12-15H2,1H3/p+1/t16-,17-,19-,20+,23-,24+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)NC(=O)C4=CC=C(C=C4)Br
InChI: InChI=1S/C16H13BrN2O3/c17-11-5-3-8(4-6-11)14(20)18-19-15(21)12-9-1-2-10(7-9)13(12)16(19)22/h1-6,9-10,12-13H,7H2,(H,18,20)/t9-,10+,12-,13+
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](N4CCCN4[C@H]3C2=O)C5=CC=CC=C5OC
InChI: InChI=1S/C22H23N3O3/c1-14-8-10-15(11-9-14)25-21(26)18-19(16-6-3-4-7-17(16)28-2)23-12-5-13-24(23)20(18)22(25)27/h3-4,6-11,18-20H,5,12-13H2,1-2H3/t18-,19+,20+/m0/s1
SMILES: C[C@@H]1[C@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)C[C@@H]4[C@@H](C(=C)C(=O)O4)C)C)/C(=C)[C@@H]1O)O
InChI: InChI=1S/C29H42O4/c1-16(14-26-17(2)18(3)28(32)33-26)23-11-12-24-21(8-7-13-29(23,24)6)9-10-22-15-25(30)20(5)27(31)19(22)4/h9-10,16-17,20,23-27,30-31H,3-4,7-8,11-15H2,1-2,5-6H3/b21-9+,22-10-/t16-,17-,20-,23-,24+,25+,26-,27+,29-/m1/s1
SMILES: CC1=CC=C(S1)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)NC3=CC=C(C=C3)OC
InChI: InChI=1S/C18H19N3O3S/c1-10-4-9-14(25-10)16-15(11(2)19-18(23)21-16)17(22)20-12-5-7-13(24-3)8-6-12/h4-9,15-16H,2H2,1,3H3,(H,20,22)(H2,19,21,23)/t15-,16+/m1/s1
SMILES: CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)OC)(C(=O)OC)O)C3=NNN=N3)CCC(=C)[C@H]([C@H](C)CC4=CC=CC=C4)OC(=O)C)O
InChI: InChI=1S/C37H50N4O12/c1-9-21(2)19-22(3)15-16-27(43)51-30-29(44)35(18-17-23(4)28(50-25(6)42)24(5)20-26-13-11-10-12-14-26)52-31(32-38-40-41-39-32)36(47,33(45)48-7)37(30,53-35)34(46)49-8/h10-16,21-22,24,28-31,44,47H,4,9,17-20H2,1-3,5-8H3,(H,38,39,40,41)/b16-15+/t21-,22+,24+,28+,29+,30+,31+,35-,36+,37-/m0/s1
SMILES: CC1=C(C[C@H]([C@@H](C1)C(=O)NC2=CC=CC=C2F)C(=O)[O-])C
InChI: InChI=1S/C16H18FNO3/c1-9-7-11(12(16(20)21)8-10(9)2)15(19)18-14-6-4-3-5-13(14)17/h3-6,11-12H,7-8H2,1-2H3,(H,18,19)(H,20,21)/p-1/t11-,12-/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)NC(=O)C)CSC4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C28H29NO6S/c1-17-25(16-36-24-13-9-21(10-14-24)27(32)33)34-28(22-7-11-23(12-8-22)29-18(2)31)35-26(17)20-5-3-19(15-30)4-6-20/h3-14,17,25-26,28,30H,15-16H2,1-2H3,(H,29,31)(H,32,33)/t17-,25+,26+,28+/m0/s1
SMILES: C[C@@H]1[C@H]([C@H]2C(=O)C(=C[C@@]1(C2=O)CC=C)O)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C20H22O5/c1-5-8-20-10-13(21)18(22)17(19(20)23)16(11(20)2)12-6-7-14(24-3)15(9-12)25-4/h5-7,9-11,16-17,21H,1,8H2,2-4H3/t11-,16+,17+,20+/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3C2CC[C@]4([C@]35[C@H](O5)CC4C6=COC(=O)C=C6)C)OC=O
InChI: InChI=1S/C25H32O5/c1-23-9-7-17(29-14-26)11-16(23)4-5-19-18(23)8-10-24(2)20(12-21-25(19,24)30-21)15-3-6-22(27)28-13-15/h3,6,13-14,16-21H,4-5,7-12H2,1-2H3/t16-,17+,18?,19-,20?,21-,23+,24-,25-/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C6CCCCC6
InChI: InChI=1S/C31H33BrCl2N2O7/c1-42-22-12-16(13-23(43-2)25(22)37)8-11-21-18-9-10-19-24(27(39)36(26(19)38)17-6-4-3-5-7-17)20(18)14-30(33)28(40)35(15-32)29(41)31(21,30)34/h8-9,11-13,17,19-21,24,37H,3-7,10,14-15H2,1-2H3/t19-,20+,21-,24-,30+,31-/m0/s1
SMILES: CC(C)(C)N1[C@@H]([C@H](S1(=O)=O)[S@](=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C18H21NO3S2/c1-18(2,3)19-16(14-10-6-4-7-11-14)17(24(19,21)22)23(20)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17+,23-/m1/s1
SMILES: CCC(=O)N1[C@H]([C@H]2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC=C(C=C4)Br
InChI: InChI=1S/C21H21BrN2O2/c1-3-19(25)24-21(14-4-8-15(22)9-5-14)17-11-7-13-6-10-16(26-2)12-18(13)20(17)23-24/h4-6,8-10,12,17,21H,3,7,11H2,1-2H3/t17-,21-/m0/s1
SMILES: COC(=O)C1=CC=CC=C1N2C(=O)[C@H]3[C@@H]4C=CC=NN4[C@H]([C@H]3C2=O)C(=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C24H18FN3O5/c1-33-24(32)15-5-2-3-6-16(15)27-22(30)18-17-7-4-12-26-28(17)20(19(18)23(27)31)21(29)13-8-10-14(25)11-9-13/h2-12,17-20H,1H3/t17-,18-,19-,20+/m0/s1
SMILES: CC#CCC(C)[C@@H](/C=C/C1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O
InChI: InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18?,19-,20+,21+/m0/s1
SMILES: CC(=O)O[C@H]1C[C@H]2[C@@H]3CCC4=CC(=C(C=C4[C@H]3CC[C@@]2([C@H]1O)C)F)OC(=O)C
InChI: InChI=1S/C22H27FO5/c1-11(24)27-19-8-13-4-5-15-14(16(13)9-18(19)23)6-7-22(3)17(15)10-20(21(22)26)28-12(2)25/h8-9,14-15,17,20-21,26H,4-7,10H2,1-3H3/t14-,15+,17-,20-,21-,22-/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)NC34C[C@@H]5C[C@H](C3)CC4C5)N6C=NC7=C(N=CN=C76)N)C
InChI: InChI=1S/C22H28N6O4/c1-21(2)31-14-15(19(29)27-22-6-10-3-11(7-22)5-12(22)4-10)30-20(16(14)32-21)28-9-26-13-17(23)24-8-25-18(13)28/h8-12,14-16,20H,3-7H2,1-2H3,(H,27,29)(H2,23,24,25)/t10-,11+,12?,14-,15+,16-,20-,22?/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=CC[C@H]3C[C@@H]2[C@@H](C=C3C4=CC=C(C=C4)C(C)(C)C)Br
InChI: InChI=1S/C29H35Br/c1-28(2,3)22-12-7-19(8-13-22)24-16-11-21-17-26(24)27(30)18-25(21)20-9-14-23(15-10-20)29(4,5)6/h7-10,12-16,18,21,26-27H,11,17H2,1-6H3/t21-,26-,27+/m0/s1
SMILES: CC1=C(C2=CC=CC=C2N1)CC3=CC=C(C=C3)C(=O)N[C@@H]4C[C@@]5(CCCO5)C[C@@H]4C(=O)NO
InChI: InChI=1S/C26H29N3O4/c1-16-20(19-5-2-3-6-22(19)27-16)13-17-7-9-18(10-8-17)24(30)28-23-15-26(11-4-12-33-26)14-21(23)25(31)29-32/h2-3,5-10,21,23,27,32H,4,11-15H2,1H3,(H,28,30)(H,29,31)/t21-,23+,26+/m0/s1
SMILES: CN1C(=C(C(=O)N(C1=O)C)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
InChI: InChI=1S/C18H28N2O13/c1-19-15(28)7(16(29)20(2)18(19)30)14-11(26)10(25)13(6(4-22)31-14)33-17-12(27)9(24)8(23)5(3-21)32-17/h5-6,8-14,17,21-28H,3-4H2,1-2H3/t5-,6-,8-,9+,10-,11-,12-,13-,14+,17+/m1/s1
SMILES: CN(C1=C(C=CC(=N1)C(F)(F)F)Cl)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=CC(=C6)Br)O)C7=CC=CC=C7)C8=CC(=CC=C8)Cl
InChI: InChI=1S/C39H28BrCl2F3N4O5/c1-47(33-28(42)13-15-30(46-33)39(43,44)45)49-34(51)24-12-11-23-25(31(24)36(49)53)18-27-35(52)48(22-9-5-8-21(41)17-22)37(54)38(27,19-6-3-2-4-7-19)32(23)26-16-20(40)10-14-29(26)50/h2-11,13-17,24-25,27,31-32,50H,12,18H2,1H3/t24-,25+,27-,31-,32+,38+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)OC)F
InChI: InChI=1S/C18H23FN2O5/c1-11-5-3-4-6-15(11)20-18(24)21-16(22)10-26-17(23)13-8-7-12(25-2)9-14(13)19/h7-9,11,15H,3-6,10H2,1-2H3,(H2,20,21,22,24)/t11-,15-/m1/s1
SMILES: C[C@]12CCC[C@@]([C@@]1(C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CNCCC4=CCCCC4)O)(C)OC
InChI: InChI=1S/C24H39NO4/c1-22-11-7-12-23(2,28-3)24(22,27)14-18-19(21(26)29-20(18)15-22)16-25-13-10-17-8-5-4-6-9-17/h8,18-20,25,27H,4-7,9-16H2,1-3H3/t18-,19-,20-,22-,23-,24+/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@@H]2CN(CC3)C)C(=O)C4=CC5=CC=CC=C5O4
InChI: InChI=1S/C22H22N2O2/c1-14-7-8-18-16(11-14)17-13-23(2)10-9-19(17)24(18)22(25)21-12-15-5-3-4-6-20(15)26-21/h3-8,11-12,17,19H,9-10,13H2,1-2H3/t17-,19-/m1/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@]4([C@@H]([C@H]2O1)ON([C@H]4C(=O)O3)CC5=CC=C(C=C5)C=CCC6=CC=CC=C6O)C(=O)N7CCC[C@@H]7C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C50H69N3O11/c1-6-8-12-27-49(28-13-9-7-2)62-41-39-30-50(47(59)52-29-15-19-37(52)45(57)51-36(32-54)25-26-40(56)61-48(3,4)5)43(46(58)60-39)53(64-44(50)42(41)63-49)31-34-23-21-33(22-24-34)16-14-18-35-17-10-11-20-38(35)55/h10-11,14,16-17,20-24,36-37,39,41-44,54-55H,6-9,12-13,15,18-19,25-32H2,1-5H3,(H,51,57)/t36-,37+,39+,41-,42-,43-,44+,50-/m0/s1
SMILES: CCCCC/C=C\[C@H]([C@@H]1[C@H]([C@H](CC1=O)O[Si](C)(C)C(C)(C)C)CC(=O)OCC)OC(=O)C
InChI: InChI=1S/C25H44O6Si/c1-9-11-12-13-14-15-21(30-18(3)26)24-19(16-23(28)29-10-2)22(17-20(24)27)31-32(7,8)25(4,5)6/h14-15,19,21-22,24H,9-13,16-17H2,1-8H3/b15-14-/t19-,21+,22-,24+/m0/s1
SMILES: C1CCC(CC1)CN([C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO)C(=O)C5CCCC5
InChI: InChI=1S/C28H38N2O5/c31-15-14-29-27(33)21-16-22(25(32)26-24(21)20-12-6-7-13-23(20)35-26)30(17-18-8-2-1-3-9-18)28(34)19-10-4-5-11-19/h6-7,12-13,16,18-19,22,24-26,31-32H,1-5,8-11,14-15,17H2,(H,29,33)/t22-,24+,25+,26+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl
InChI: InChI=1S/C16H19Cl2N3O4/c1-9-4-2-3-5-12(9)20-16(24)21-13(22)8-25-15(23)10-6-11(17)14(18)19-7-10/h6-7,9,12H,2-5,8H2,1H3,(H2,20,21,22,24)/t9-,12-/m0/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)CCC(=O)O)CSC4=C(C=CC=N4)C(=O)O
InChI: InChI=1S/C29H30N2O8S/c1-17-23(16-40-27-22(28(36)37)6-3-13-30-27)38-29(39-26(17)19-9-7-18(15-32)8-10-19)20-4-2-5-21(14-20)31-24(33)11-12-25(34)35/h2-10,13-14,17,23,26,29,32H,11-12,15-16H2,1H3,(H,31,33)(H,34,35)(H,36,37)/t17-,23+,26+,29+/m0/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=CC=C4
InChI: InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1
SMILES: CC1=CC=C(C=C1)OC2=CC=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C19H22O7/c1-11-6-8-12(9-7-11)24-13-4-2-3-5-14(13)25-19-18(23)17(22)16(21)15(10-20)26-19/h2-9,15-23H,10H2,1H3/t15-,16-,17+,18-,19-/m1/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3)N(C)S(=O)(=O)C)OC)C
InChI: InChI=1S/C21H27NO5S/c1-21(2)20(25-4)19(22(3)28(5,23)24)17-13-16(11-12-18(17)27-21)26-14-15-9-7-6-8-10-15/h6-13,19-20H,14H2,1-5H3/t19-,20+/m1/s1
SMILES: CC1=CC=C(C=C1)S[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5)CC=C
InChI: InChI=1S/C37H40O4S/c1-3-13-33-37(42-32-22-20-28(2)21-23-32)36(40-26-31-18-11-6-12-19-31)35(39-25-30-16-9-5-10-17-30)34(41-33)27-38-24-29-14-7-4-8-15-29/h3-12,14-23,33-37H,1,13,24-27H2,2H3/t33-,34+,35+,36-,37-/m0/s1
SMILES: C1=CC=C(C=C1)C#CC2=C3C(=NC=C2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C19H17N3O4/c23-10-14-16(24)17(25)19(26-14)22-11-21-15-13(8-9-20-18(15)22)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,14,16-17,19,23-25H,10H2/t14-,16-,17-,19-/m1/s1
SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O[Si](C)(C)C(C)(C)C)COS(=O)(=O)C)C(=O)O3)O)C)\C)O[C@@H]1C
InChI: InChI=1S/C38H60O10SSi/c1-24-12-11-13-29-23-43-34-33(48-50(9,10)36(5,6)7)28(22-44-49(8,41)42)19-32(38(29,34)40)35(39)45-31-20-30(15-14-25(2)18-24)47-37(21-31)17-16-26(3)27(4)46-37/h11-14,19,24,26-27,30-34,40H,15-18,20-23H2,1-10H3/b12-11+,25-14+,29-13+/t24-,26-,27+,30+,31-,32-,33+,34+,37-,38+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]([C@H]2C(=O)[O-])C(=O)NC3=C(C=CC(=C3)F)F
InChI: InChI=1S/C15H15F2NO3/c16-9-3-4-10(17)11(6-9)18-14(19)12-7-1-2-8(5-7)13(12)15(20)21/h3-4,6-8,12-13H,1-2,5H2,(H,18,19)(H,20,21)/p-1/t7-,8+,12-,13+/m1/s1
SMILES: C1[C@@H]2[C@@H](CS1(=O)=O)N(C(=S)N2)C3=CC(=C(C=C3)Cl)F
InChI: InChI=1S/C11H10ClFN2O2S2/c12-7-2-1-6(3-8(7)13)15-10-5-19(16,17)4-9(10)14-11(15)18/h1-3,9-10H,4-5H2,(H,14,18)/t9-,10-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H]1[C@@H]2C[C@H]2[C@@H]3C[C@H]3[C@@H]4C[C@H]4[C@@H]5C[C@H]5/C=C/[C@@H]6C[C@H]6CO
InChI: InChI=1S/C28H46O2Si/c1-28(2,3)31(4,5)30-15-19-10-21(19)23-12-25(23)27-13-26(27)24-11-22(24)20-9-17(20)7-6-16-8-18(16)14-29/h6-7,16-27,29H,8-15H2,1-5H3/b7-6+/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@@H]3CC=C[C@H]3C4=C(N2)C=CC(=C4)C(=O)O
InChI: InChI=1S/C20H19NO2/c1-12-5-7-13(8-6-12)19-16-4-2-3-15(16)17-11-14(20(22)23)9-10-18(17)21-19/h2-3,5-11,15-16,19,21H,4H2,1H3,(H,22,23)/t15-,16-,19-/m1/s1
SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)[C@]1(C[C@H]2CC[C@@]1(C2(C)C)C)O[Si](C)(C)C)OC)N(C)C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C31H51NO5Si/c1-11-22(2)27(32(6)28(34)36-21-23-15-13-12-14-16-23)25(35-7)19-26(33)31(37-38(8,9)10)20-24-17-18-30(31,5)29(24,3)4/h12-16,22,24-25,27H,11,17-21H2,1-10H3/t22-,24+,25+,27-,30+,31-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC5=C(C4)C6=CC=CC=C6O5)C)C
InChI: InChI=1S/C33H48O/c1-21(2)9-8-10-22(3)27-15-16-28-25-14-13-23-19-26-24-11-6-7-12-30(24)34-31(26)20-33(23,5)29(25)17-18-32(27,28)4/h6-7,11-12,21-23,25,27-29H,8-10,13-20H2,1-5H3/t22-,23+,25+,27-,28+,29+,32-,33+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H]([C@@H]1C(=O)NC)CCC3=C2C=C(C=C3)OC
InChI: InChI=1S/C18H25NO2/c1-11-4-8-14-15(17(11)18(20)19-2)9-6-12-5-7-13(21-3)10-16(12)14/h5,7,10-11,14-15,17H,4,6,8-9H2,1-3H3,(H,19,20)/t11-,14-,15+,17-/m1/s1
SMILES: [2H][13C]([2H])([2H])OC1=C2C3=C(CN(CC[C@]34C=C[C@H](C[C@@H]4O2)O)C)C=C1
InChI: InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14+,17+/m1/s1/i2+1D3