EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1(O[C@H]2[C@H](N(C(=O)N([C@@H]([C@@H]2O1)CC3=CC=CC=C3)CC4=CC(=C(C=C4)F)C(=O)O)CC5=CC6=C(C=C5)N(N=C6)COCC[Si](C)(C)C)CC7=CC=CC=C7)C
InChI: InChI=1S/C44H51FN4O6Si/c1-44(2)54-40-38(24-30-12-8-6-9-13-30)47(27-32-17-19-37-34(22-32)26-46-49(37)29-53-20-21-56(3,4)5)43(52)48(28-33-16-18-36(45)35(23-33)42(50)51)39(41(40)55-44)25-31-14-10-7-11-15-31/h6-19,22-23,26,38-41H,20-21,24-25,27-29H2,1-5H3,(H,50,51)/t38-,39-,40+,41+/m1/s1
SMILES: C[C@H]1C[C@H]2[C@H]3C[C@H]4[C@@]5(O4)C[C@@H](CC[C@]5([C@H]3CC[C@]2([C@@H]1C(=O)C)C)C)O
InChI: InChI=1S/C22H34O3/c1-12-9-17-15-10-18-22(25-18)11-14(24)5-8-21(22,4)16(15)6-7-20(17,3)19(12)13(2)23/h12,14-19,24H,5-11H2,1-4H3/t12-,14+,15-,16-,17-,18-,19-,20+,21-,22-/m0/s1
SMILES: C[C@H]1CCC[C@]2([C@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)CC=C)(C)C)O)C3=CC4=C(C=C3)OC(=N4)C)C
InChI: InChI=1S/C30H42N2O6/c1-7-9-20-27(35)17(2)10-8-13-30(6)25(38-30)15-21(19-11-12-23-22(14-19)31-18(3)37-23)32-26(34)16-24(33)29(4,5)28(20)36/h7,11-12,14,17,20-21,24-25,27,33,35H,1,8-10,13,15-16H2,2-6H3,(H,32,34)/t17-,20+,21-,24-,25+,27-,30-/m0/s1
SMILES: C[C@]1(CC[C@@]2([C@@]3(CCC[C@](C3C[C@@H]4[C@@]2(C1)O4)(C)CO)C)O)C=C
InChI: InChI=1S/C20H32O3/c1-5-16(2)9-10-20(22)18(4)8-6-7-17(3,13-21)14(18)11-15-19(20,12-16)23-15/h5,14-15,21-22H,1,6-13H2,2-4H3/t14?,15-,16-,17-,18-,19-,20+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3
InChI: InChI=1S/C22H32N2O4/c1-16-5-3-4-6-20(16)23-21(25)17(2)28-22(26)19-9-7-18(8-10-19)15-24-11-13-27-14-12-24/h7-10,16-17,20H,3-6,11-15H2,1-2H3,(H,23,25)/p+1/t16-,17-,20+/m1/s1
SMILES: C1[C@H]([C@H](C(=O)C=C1/C=C/C2=CC=CS2)N3C=C(N=C3)[N+](=O)[O-])C4=CC=CS4
InChI: InChI=1S/C19H15N3O3S2/c23-16-10-13(5-6-14-3-1-7-26-14)9-15(17-4-2-8-27-17)19(16)21-11-18(20-12-21)22(24)25/h1-8,10-12,15,19H,9H2/b6-5+/t15-,19+/m0/s1
SMILES: C1CC2=CC=CC=C2N(C1)C(=O)[C@@H]3C[C@H]4C[C@@H]3C=C4
InChI: InChI=1S/C17H19NO/c19-17(15-11-12-7-8-14(15)10-12)18-9-3-5-13-4-1-2-6-16(13)18/h1-2,4,6-8,12,14-15H,3,5,9-11H2/t12-,14+,15-/m1/s1
SMILES: C1CCC(C1)N2C(=O)[C@@H]3[C@@H]([NH2+][C@@]4([C@@H]3C2=O)C5=CC=CC=C5NC4=O)CCC(=O)[O-]
InChI: InChI=1S/C21H23N3O5/c25-15(26)10-9-14-16-17(19(28)24(18(16)27)11-5-1-2-6-11)21(23-14)12-7-3-4-8-13(12)22-20(21)29/h3-4,7-8,11,14,16-17,23H,1-2,5-6,9-10H2,(H,22,29)(H,25,26)/t14-,16+,17-,21+/m0/s1
SMILES: C1[C@H]([C@H]([C@@H]([C@@](O1)(C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)O)O)O)O
InChI: InChI=1S/C20H25NO5/c22-17-13-26-20(25,19(24)18(17)23)14-21(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,17-19,22-25H,11-14H2/p+1/t17-,18-,19+,20+/m1/s1
SMILES: C1=C[C@H]2[C@@H]3[C@H]([C@@H]1O2)C(=O)N(C3=O)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C14H9Cl2NO3/c15-6-1-2-8(7(16)5-6)17-13(18)11-9-3-4-10(20-9)12(11)14(17)19/h1-5,9-12H/t9-,10+,11+,12-
SMILES: CC(C)(C)OC(=O)N1C2=CC=CC=C2C3=C1C4=NC=CN4[C@@H]5[C@H]3C(=O)N(C5=O)C
InChI: InChI=1S/C21H20N4O4/c1-21(2,3)29-20(28)25-12-8-6-5-7-11(12)13-14-16(19(27)23(4)18(14)26)24-10-9-22-17(24)15(13)25/h5-10,14,16H,1-4H3/t14-,16+/m0/s1
SMILES: CC[C@@H]1[C@@H]([C@@H](C2=CC=CC=C2N1C(=O)C)NC3=CC=CC=C3)C
InChI: InChI=1S/C20H24N2O/c1-4-18-14(2)20(21-16-10-6-5-7-11-16)17-12-8-9-13-19(17)22(18)15(3)23/h5-14,18,20-21H,4H2,1-3H3/t14-,18+,20-/m0/s1
SMILES: C[C@H]1CO[C@@]2(O1)[C@@]3([C@@H]([C@@]3(C(=N2)N)C#N)C4=C(C=CC=C4Cl)F)C#N
InChI: InChI=1S/C16H12ClFN4O2/c1-8-5-23-16(24-8)15(7-20)12(14(15,6-19)13(21)22-16)11-9(17)3-2-4-10(11)18/h2-4,8,12H,5H2,1H3,(H2,21,22)/t8-,12+,14+,15+,16+/m0/s1
SMILES: CCCCC/C=C(\N1[C@@H]2[C@@H](CC3=CC=CC=C23)OC1=O)/Br
InChI: InChI=1S/C17H20BrNO2/c1-2-3-4-5-10-15(18)19-16-13-9-7-6-8-12(13)11-14(16)21-17(19)20/h6-10,14,16H,2-5,11H2,1H3/b15-10-/t14-,16+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2OC(=O)C3=CC=CC=C3)SC4=CC=C(C=C4)C)CO)O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C47H44O13S/c1-28-23-25-34(26-24-28)61-47-41(59-45(53)33-21-13-6-14-22-33)38(36(49)35(27-48)55-47)60-46-40(58-44(52)32-19-11-5-12-20-32)39(57-43(51)31-17-9-4-10-18-31)37(29(2)54-46)56-42(50)30-15-7-3-8-16-30/h3-26,29,35-41,46-49H,27H2,1-2H3/t29-,35+,36-,37-,38-,39+,40+,41+,46-,47-/m0/s1
SMILES: C[C@@]12CCCC(=C)[C@H]1C[C@@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+]4C[C@@]5(C[C@](C4)(C[NH+](C5)C)C)C
InChI: InChI=1S/C25H40N2O2/c1-17-7-6-8-25(4)10-21-18(9-20(17)25)19(22(28)29-21)11-27-15-23(2)12-24(3,16-27)14-26(5)13-23/h18-21H,1,6-16H2,2-5H3/p+2/t18-,19-,20+,21+,23-,24+,25-/m0/s1
SMILES: C[C@]12CC[C@@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@]4(CSC5=NC=CN5C)O)C)OC
InChI: InChI=1S/C25H38N2O2S/c1-23-10-7-18(29-4)15-17(23)5-6-19-20(23)8-11-24(2)21(19)9-12-25(24,28)16-30-22-26-13-14-27(22)3/h13-15,18-21,28H,5-12,16H2,1-4H3/t18-,19+,20-,21+,23-,24-,25+/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@]2(C[C@@H]1OC(=O)C)C(C)(C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C45H48O13/c1-25-31(54-26(2)46)23-44(42(4,5)52)34(25)35(55-39(49)28-16-10-7-11-17-28)37(56-40(50)29-18-12-8-13-19-29)43(6)32(48)22-33-45(24-53-33,58-27(3)47)36(43)38(44)57-41(51)30-20-14-9-15-21-30/h7-21,31-33,35-38,48,52H,22-24H2,1-6H3/t31-,32-,33+,35+,36?,37-,38-,43+,44-,45-/m0/s1
SMILES: COC(=O)C1=NN[C@@]2([C@@H]1C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C19H14ClN3O4/c1-27-17(25)15-14-16(24)23(13-5-3-2-4-6-13)18(26)19(14,22-21-15)11-7-9-12(20)10-8-11/h2-10,14,22H,1H3/t14-,19+/m0/s1
SMILES: CC(C)C[C@@H](C(=O)N[C@H]1[C@H](SCCNC1=O)C2=CC=CC=C2)NC(=O)CC3=CC(=CC(=C3)F)F
InChI: InChI=1S/C25H29F2N3O3S/c1-15(2)10-20(29-21(31)13-16-11-18(26)14-19(27)12-16)24(32)30-22-23(17-6-4-3-5-7-17)34-9-8-28-25(22)33/h3-7,11-12,14-15,20,22-23H,8-10,13H2,1-2H3,(H,28,33)(H,29,31)(H,30,32)/t20-,22-,23+/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)[C@H]3CC(=NN3CC(F)(F)F)C4=CC=CC=C4)O
InChI: InChI=1S/C20H20F3N3O4/c1-10(27)16-15-7-12(17(19(29)30)26(15)18(16)28)14-8-13(11-5-3-2-4-6-11)24-25(14)9-20(21,22)23/h2-6,10,14-16,27H,7-9H2,1H3,(H,29,30)/t10-,14-,15-,16-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C22H30N4O2S/c1-5-14-26-20(17-10-12-18(28-4)13-11-17)24-25-22(26)29-16(3)21(27)23-19-9-7-6-8-15(19)2/h5,10-13,15-16,19H,1,6-9,14H2,2-4H3,(H,23,27)/t15-,16+,19-/m0/s1
SMILES: CC1=CC=C(C=C1)NC(=O)CN2[C@H]3[C@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)N=N2
InChI: InChI=1S/C19H16FN5O3/c1-11-2-6-13(7-3-11)21-15(26)10-24-17-16(22-23-24)18(27)25(19(17)28)14-8-4-12(20)5-9-14/h2-9,16-17H,10H2,1H3,(H,21,26)/t16-,17+/m1/s1
SMILES: CC(=C1C[C@]2(C(=O)[C@@H]3C[C@@]24[C@@]1(CCC4)CC3=O)C)C
InChI: InChI=1S/C17H22O2/c1-10(2)12-8-15(3)14(19)11-7-17(15)6-4-5-16(12,17)9-13(11)18/h11H,4-9H2,1-3H3/t11-,15+,16+,17-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OCCCN)OC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI: InChI=1S/C34H40N3O10P/c1-23-21-37(33(39)36-32(23)38)31-20-29(30(46-31)22-45-48(40,41)44-19-7-18-35)47-34(24-8-5-4-6-9-24,25-10-14-27(42-2)15-11-25)26-12-16-28(43-3)17-13-26/h4-6,8-17,21,29-31H,7,18-20,22,35H2,1-3H3,(H,40,41)(H,36,38,39)/t29-,30+,31+/m0/s1
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2[C@@H]3[C@H]2CC/C=C\CC/C=C\CC3
InChI: InChI=1S/C21H26N2O3/c1-15-12-13-16(23(25)26)14-19(15)22-21(24)20-17-10-8-6-4-2-3-5-7-9-11-18(17)20/h4-7,12-14,17-18,20H,2-3,8-11H2,1H3,(H,22,24)/b6-4-,7-5-/t17-,18+,20?
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCCOC)C(=O)N[C@H](C)C3=CC=CC=C3)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)C5=CC=CO5)C
InChI: InChI=1S/C40H52N2O6/c1-28-11-8-20-39(3)35(33-18-16-30(25-32(43)17-15-28)26-34(33)37(44)36-14-9-24-48-36)19-21-40(39,46)27-42(22-10-23-47-4)38(45)41-29(2)31-12-6-5-7-13-31/h5-7,9,11-14,16,18,24,26,29,32,35,43,46H,8,10,15,17,19-23,25,27H2,1-4H3,(H,41,45)/t29-,32+,35+,39+,40-/m1/s1
SMILES: CC(CC1=CC=CC=C1)C(C(=C)CC[C@]23[C@@H]([C@H]([C@](O2)([C@@]([C@H](O3)C(=O)O)(C(=O)O)O)C(=O)O)OC(=O)C(C)(C)C)O)OC(=O)C
InChI: InChI=1S/C30H38O14/c1-15(19(41-17(3)31)16(2)14-18-10-8-7-9-11-18)12-13-28-20(32)21(42-26(39)27(4,5)6)30(44-28,25(37)38)29(40,24(35)36)22(43-28)23(33)34/h7-11,16,19-22,32,40H,1,12-14H2,2-6H3,(H,33,34)(H,35,36)(H,37,38)/t16?,19?,20-,21-,22-,28-,29-,30-/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N[C@@H](CC(C)C)C3=CC=CC=C3
InChI: InChI=1S/C22H31N3O3/c1-15(2)13-18(17-10-5-4-6-11-17)23-19(26)14-25-20(27)22(24-21(25)28)12-8-7-9-16(22)3/h4-6,10-11,15-16,18H,7-9,12-14H2,1-3H3,(H,23,26)(H,24,28)/t16-,18+,22+/m1/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC5=C4NN=C5)C)O
InChI: InChI=1S/C20H28N2O/c1-19-7-5-14(23)10-13(19)3-4-15-16(19)6-8-20(2)17(15)9-12-11-21-22-18(12)20/h3,11,14-17,23H,4-10H2,1-2H3,(H,21,22)/t14-,15+,16-,17-,19-,20-/m0/s1
SMILES: C[C@H]1C/C(=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)COCC2=CC=C(C=C2)OC)OCOC)O[Si](C(C)C)(C(C)C)C(C)C)/[C@@H]([C@H]1O[Si](C(C)C)(C(C)C)C(C)C)C
InChI: InChI=1S/C47H88O6Si2/c1-30(2)54(31(3)4,32(5)6)52-46-38(15)26-44(40(46)17)36(13)25-37(14)47(53-55(33(7)8,34(9)10)35(11)12)41(18)45(51-29-48-19)39(16)27-50-28-42-21-23-43(49-20)24-22-42/h21-24,30-35,37-41,45-47H,25-29H2,1-20H3/b44-36+/t37-,38-,39-,40-,41+,45-,46-,47+/m0/s1
SMILES: CC(C)OC1=CC=C(C=C1)C(=O)OCC[C@H]2CCCN3[C@@H]2CCCC3
InChI: InChI=1S/C21H31NO3/c1-16(2)25-19-10-8-18(9-11-19)21(23)24-15-12-17-6-5-14-22-13-4-3-7-20(17)22/h8-11,16-17,20H,3-7,12-15H2,1-2H3/t17-,20-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@H](CC3=CC=CC=C23)O[S@](=O)C(C)(C)C
InChI: InChI=1S/C20H25NO4S2/c1-14-9-11-16(12-10-14)27(23,24)21-19-17-8-6-5-7-15(17)13-18(19)25-26(22)20(2,3)4/h5-12,18-19,21H,13H2,1-4H3/t18-,19+,26-/m0/s1
SMILES: COC1=NC2=C(C(=CN=C2C=C1)F)CCN3C[C@@H]([C@@H](C3)O)CNC(=O)C4=NC5=C(C=C4)OCC(=O)N5
InChI: InChI=1S/C24H25FN6O5/c1-35-21-5-3-16-22(30-21)14(15(25)9-26-16)6-7-31-10-13(18(32)11-31)8-27-24(34)17-2-4-19-23(28-17)29-20(33)12-36-19/h2-5,9,13,18,32H,6-8,10-12H2,1H3,(H,27,34)(H,28,29,33)/t13-,18+/m0/s1
SMILES: CC[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C(=O)O)C=C4
InChI: InChI=1S/C21H25NO5S/c1-3-10-4-7-13-14(8-10)28-19(17(13)21(26)27-2)22-18(23)15-11-5-6-12(9-11)16(15)20(24)25/h5-6,10-12,15-16H,3-4,7-9H2,1-2H3,(H,22,23)(H,24,25)/t10-,11+,12-,15-,16-/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]1CS(=O)[C@H]2[C@@]1(C=CCC2)C
InChI: InChI=1S/C18H34O2SSi/c1-13(2)22(14(3)4,15(5)6)20-16-12-21(19)17-10-8-9-11-18(16,17)7/h9,11,13-17H,8,10,12H2,1-7H3/t16-,17+,18+,21?/m0/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(=C8)Cl)O)C(=O)N(C7=O)C(=O)N)C
InChI: InChI=1S/C35H29Cl2N5O6S/c1-14-19-10-16(37)5-9-25(19)49-29(14)23-13-26(40(3)39-23)41-31(45)22-12-20-17(6-7-18-27(20)32(46)42(30(18)44)34(38)48)28(35(22,2)33(41)47)21-11-15(36)4-8-24(21)43/h4-6,8-11,13,18,20,22,27-28,43H,7,12H2,1-3H3,(H2,38,48)/t18-,20+,22-,27-,28+,35+/m0/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)C4=CC=CC=C4CNC(=O)OCC=C)CN5CCN(CC5)CC6=CC=CC=C6
InChI: InChI=1S/C41H47N3O5/c1-3-25-47-41(46)42-26-36-11-7-8-12-37(36)33-17-19-35(20-18-33)40-48-38(30(2)39(49-40)34-15-13-32(29-45)14-16-34)28-44-23-21-43(22-24-44)27-31-9-5-4-6-10-31/h3-20,30,38-40,45H,1,21-29H2,2H3,(H,42,46)/t30-,38+,39+,40+/m0/s1
SMILES: CC[C@@](C)(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)(C)O
InChI: InChI=1S/C30H50O2/c1-8-28(5,27(3,4)32)16-13-20(2)24-11-12-25-23-10-9-21-19-22(31)14-17-29(21,6)26(23)15-18-30(24,25)7/h9-10,20,22,24-26,31-32H,8,11-19H2,1-7H3/t20-,22+,24-,25+,26?,28+,29+,30-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)C3=CC=C(C=C3)N4CCCC4=O
InChI: InChI=1S/C21H25N3O4/c1-14-5-2-3-11-21(14)19(27)24(20(28)22-21)13-17(25)15-7-9-16(10-8-15)23-12-4-6-18(23)26/h7-10,14H,2-6,11-13H2,1H3,(H,22,28)/t14-,21+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NC3=CC=C(C=C3)Cl
InChI: InChI=1S/C17H19ClN2O3/c18-11-5-7-12(8-6-11)19-15(21)9-10-20-16(22)13-3-1-2-4-14(13)17(20)23/h5-8,13-14H,1-4,9-10H2,(H,19,21)/t13-,14-/m1/s1
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(O3)C
InChI: InChI=1S/C20H19N5O3/c1-3-27-19(26)25-7-6-13-14(8-21)18(24)20(10-22,11-23)17(15(13)9-25)16-5-4-12(2)28-16/h4-6,15,17H,3,7,9,24H2,1-2H3/t15-,17-/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)NC(=O)CC(C)(C)CC(=O)O)C)C(=O)O
InChI: InChI=1S/C37H59NO5/c1-22(2)23-12-17-37(31(42)43)19-18-35(8)24(30(23)37)10-11-26-34(7)15-14-27(33(5,6)25(34)13-16-36(26,35)9)38-28(39)20-32(3,4)21-29(40)41/h23-27,30H,1,10-21H2,2-9H3,(H,38,39)(H,40,41)(H,42,43)/t23-,24+,25-,26+,27-,30+,34-,35+,36+,37-/m0/s1
SMILES: C[C@]12CC([C@]3([C@H]([C@@H]1CC(=C)[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@@]43C)F)O
InChI: InChI=1S/C22H27FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,15-17,24,26,28H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17?,19-,20-,21-,22-/m0/s1
SMILES: CCN1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@@H]([C@@H](CC3=NNC(=O)OCC)O)O
InChI: InChI=1S/C17H25N3O6/c1-3-20-15(23)9-6-5-8-10(18-19-17(25)26-4-2)7-11(21)14(22)12(8)13(9)16(20)24/h8-9,11-14,21-22H,3-7H2,1-2H3,(H,19,25)/t8-,9+,11+,12-,13+,14+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@](O1)([C@](C(=O)O2)(C(C[N+](=O)[O-])C3=C(C=CC=C3Cl)Cl)O)O)O
InChI: InChI=1S/C14H13Cl2NO8/c15-7-2-1-3-8(16)10(7)6(4-17(22)23)13(20)12(19)25-11-9(18)5-24-14(11,13)21/h1-3,6,9,11,18,20-21H,4-5H2/t6?,9-,11+,13+,14-/m0/s1
SMILES: CC1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3OC(=O)NC4=CC=C(C=C4)C
InChI: InChI=1S/C22H24N2O6/c1-13-3-7-15(8-4-13)23-21(25)29-17-11-27-20-18(12-28-19(17)20)30-22(26)24-16-9-5-14(2)6-10-16/h3-10,17-20H,11-12H2,1-2H3,(H,23,25)(H,24,26)/t17-,18+,19-,20-/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(/C=C/P(=O)(O)O)O)O)O)N
InChI: InChI=1S/C12H17N5O9P2/c13-10-7-11(15-4-14-10)17(5-16-7)12-9(19)8(18)6(26-12)3-25-28(23,24)2-1-27(20,21)22/h1-2,4-6,8-9,12,18-19H,3H2,(H,23,24)(H2,13,14,15)(H2,20,21,22)/b2-1+/t6-,8-,9-,12-/m1/s1
SMILES: CCN1C(=NN=C1SCC(=O)N[C@@H]2CCCC[C@@H]2C)CNC(=O)CC3=CC=C(C=C3)OC
InChI: InChI=1S/C23H33N5O3S/c1-4-28-20(14-24-21(29)13-17-9-11-18(31-3)12-10-17)26-27-23(28)32-15-22(30)25-19-8-6-5-7-16(19)2/h9-12,16,19H,4-8,13-15H2,1-3H3,(H,24,29)(H,25,30)/t16-,19+/m0/s1
SMILES: C[C@]12CCC3[C@](C1CCC4[C@@]2(C5=C(C4)C6=C(N5)C=CC7=C6C[C@@H]8[C@@H](C7=O)C(OC8(C)C)(C)C)C)([C@@H](C[C@H](O3)C(C)(C)O)O)C
InChI: InChI=1S/C38H53NO5/c1-33(2,42)28-18-26(40)37(8)25-13-10-19-16-22-29-21-17-23-30(35(5,6)44-34(23,3)4)31(41)20(21)11-12-24(29)39-32(22)38(19,9)36(25,7)15-14-27(37)43-28/h11-12,19,23,25-28,30,39-40,42H,10,13-18H2,1-9H3/t19?,23-,25?,26-,27?,28+,30+,36+,37-,38-/m1/s1
SMILES: CC1=CC(=C(C=C1)NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)Cl
InChI: InChI=1S/C18H22ClNO3/c1-11-2-5-16(15(19)6-11)20-17(21)10-23-18(22)9-14-8-12-3-4-13(14)7-12/h2,5-6,12-14H,3-4,7-10H2,1H3,(H,20,21)/t12-,13+,14+/m0/s1
SMILES: C1[C@@H]2C[C@@H]3[C@H]1[C@@H]([C@H]2SC4=NC5=CC=CC=C5S4)OC3=O
InChI: InChI=1S/C15H13NO2S2/c17-14-9-6-7-5-8(9)12(18-14)13(7)20-15-16-10-3-1-2-4-11(10)19-15/h1-4,7-9,12-13H,5-6H2/t7-,8+,9-,12+,13+/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)NCC7=CC(=CC=C7)C(=O)NCCO)CCCCC
InChI: InChI=1S/C46H57N3O9/c1-3-5-9-23-45(24-10-6-4-2)56-38-37-28-46(44(54)48-29-33-14-12-17-35(27-33)42(52)47-25-26-50)40(43(53)55-37)49(58-41(46)39(38)57-45)30-32-21-19-31(20-22-32)13-11-16-34-15-7-8-18-36(34)51/h7-8,11-15,17-22,27,37-41,50-51H,3-6,9-10,16,23-26,28-30H2,1-2H3,(H,47,52)(H,48,54)/t37-,38+,39+,40+,41-,46+/m1/s1
SMILES: CCOC(=O)C1=NN([C@@]2([C@H]1C3=CC=CC=C3)C=C(OC2=O)C4=CC=CC=C4)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C27H21ClN2O4/c1-2-33-25(31)24-23(19-12-7-4-8-13-19)27(30(29-24)21-15-9-14-20(28)16-21)17-22(34-26(27)32)18-10-5-3-6-11-18/h3-17,23H,2H2,1H3/t23-,27+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](NC(=O)N([C@@]1(C(F)(F)F)O)C)C2=CC=CS2
InChI: InChI=1S/C13H15F3N2O4S/c1-3-22-10(19)8-9(7-5-4-6-23-7)17-11(20)18(2)12(8,21)13(14,15)16/h4-6,8-9,21H,3H2,1-2H3,(H,17,20)/t8-,9-,12-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N3C=CN=N3
InChI: InChI=1S/C12H18N5O13P3/c1-7-5-16(12(19)14-11(7)18)10-4-8(17-3-2-13-15-17)9(28-10)6-27-32(23,24)30-33(25,26)29-31(20,21)22/h2-3,5,8-10H,4,6H2,1H3,(H,23,24)(H,25,26)(H,14,18,19)(H2,20,21,22)/t8-,9+,10+/m0/s1
SMILES: CCCNC(=O)CN1CC[C@@]2(CCCC[C@@H]2[C@@H]1C3=CC=C(C=C3)F)O
InChI: InChI=1S/C20H29FN2O2/c1-2-12-22-18(24)14-23-13-11-20(25)10-4-3-5-17(20)19(23)15-6-8-16(21)9-7-15/h6-9,17,19,25H,2-5,10-14H2,1H3,(H,22,24)/t17-,19+,20-/m1/s1
SMILES: COC[C@H]1[C@@H](OC(=O)[C@H](CCC=CC[C@@H](C(=O)N1)CC(=O)N[C@@H](CC2=CC=C(C=C2)OCC3=CC=CC=C3)CO)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C7=CC=CC=C7
InChI: InChI=1S/C52H55N3O9/c1-61-34-47-49(37-17-7-3-8-18-37)64-51(59)46(55-52(60)63-33-45-43-22-13-11-20-41(43)42-21-12-14-23-44(42)45)24-10-4-9-19-38(50(58)54-47)30-48(57)53-39(31-56)29-35-25-27-40(28-26-35)62-32-36-15-5-2-6-16-36/h2-9,11-18,20-23,25-28,38-39,45-47,49,56H,10,19,24,29-34H2,1H3,(H,53,57)(H,54,58)(H,55,60)/t38-,39+,46+,47+,49+/m1/s1
SMILES: CC(=O)CC[C@H]1C=CC2C([C@@]1(C)C=O)C(=O)C3=C(C2=O)C=CC(=C3)O
InChI: InChI=1S/C20H20O5/c1-11(22)3-4-12-5-7-15-17(20(12,2)10-21)19(25)16-9-13(23)6-8-14(16)18(15)24/h5-10,12,15,17,23H,3-4H2,1-2H3/t12-,15?,17?,20-/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]1CN(CC2=NN(C(=C2)C)C)C(=O)[C@@H]3CCC4=CC=CC=C4C3
InChI: InChI=1S/C24H31N3O3/c1-4-30-24(29)22-13-20(22)14-27(15-21-11-16(2)26(3)25-21)23(28)19-10-9-17-7-5-6-8-18(17)12-19/h5-8,11,19-20,22H,4,9-10,12-15H2,1-3H3/t19-,20-,22+/m1/s1
SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)C[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C43H55N9O12/c44-39(60)30(16-22-7-11-25(54)12-8-22)51-40(61)29(6-3-15-47-43(45)46)50-42(63)32(18-24-20-48-28-5-2-1-4-27(24)28)52-41(62)31(17-23-9-13-26(55)14-10-23)49-35(56)19-33-36(57)38(59)37(58)34(21-53)64-33/h1-2,4-5,7-14,20,29-34,36-38,48,53-55,57-59H,3,6,15-19,21H2,(H2,44,60)(H,49,56)(H,50,63)(H,51,61)(H,52,62)(H4,45,46,47)/t29-,30-,31-,32-,33+,34+,36-,37-,38+/m0/s1
SMILES: C[C@@]12CC[C@@H](C1)C([C@@H]2NCC(=O)N(C3CCCCC3)C4=CC=CC=C4)(C)C
InChI: InChI=1S/C24H36N2O/c1-23(2)18-14-15-24(3,16-18)22(23)25-17-21(27)26(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4,6-7,10-11,18,20,22,25H,5,8-9,12-17H2,1-3H3/t18-,22-,24+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NCCOC3=CC=CC=C3
InChI: InChI=1S/C19H24N2O4/c22-17(20-11-13-25-14-6-2-1-3-7-14)10-12-21-18(23)15-8-4-5-9-16(15)19(21)24/h1-3,6-7,15-16H,4-5,8-13H2,(H,20,22)/t15-,16-/m1/s1
SMILES: C1=CC=C2C(=C1)C=C[C@H]3N2[C@H]([C@@H](C3(C#N)C#N)C4=CC=C(C=C4)F)C(=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C27H17ClFN3O/c28-20-10-5-19(6-11-20)26(33)25-24(18-7-12-21(29)13-8-18)27(15-30,16-31)23-14-9-17-3-1-2-4-22(17)32(23)25/h1-14,23-25H/t23-,24+,25-/m1/s1
SMILES: C[C@H](CCC(=C)C(C)C)C1CC[C@H]([C@]1(C)CCO)[C@@H]2C[C@@H]3[C@]4(O3)C[C@H](CC[C@@]4(C2=O)C)O
InChI: InChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)22-9-10-23(26(22,5)13-14-29)21-15-24-28(32-24)16-20(30)11-12-27(28,6)25(21)31/h17,19-24,29-30H,3,7-16H2,1-2,4-6H3/t19-,20+,21+,22?,23+,24-,26-,27-,28-/m1/s1
SMILES: CCOCC(=O)N(CCC1=CC2=CC=CC=C2N1)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=C(C=C(C=C4I)C=O)OC)C(=O)NCCO
InChI: InChI=1S/C31H36IN3O8/c1-3-42-18-28(38)35(10-8-22-14-20-6-4-5-7-24(20)34-22)25-15-21(31(40)33-9-11-36)16-26(29(25)39)43-30-23(32)12-19(17-37)13-27(30)41-2/h4-7,12-14,16-17,25-26,29,34,36,39H,3,8-11,15,18H2,1-2H3,(H,33,40)/t25-,26+,29+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN=C2N3[C@H](CO2)[C@H]([C@@H]([C@H]([C@H]3O)O)O)O)O)O)O
InChI: InChI=1S/C14H24N2O10/c1-24-13-11(22)9(20)7(18)5(26-13)2-15-14-16-4(3-25-14)6(17)8(19)10(21)12(16)23/h4-13,17-23H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10-,11-,12-,13+/m1/s1
SMILES: CCNC(=O)[C@H]1CCC2[C@@]1(CCC3C2CCC4=C(C(=O)CC[C@]34C)C5=CC=CC=C5C(F)(F)F)C
InChI: InChI=1S/C29H36F3NO2/c1-4-33-26(35)23-12-11-19-17-9-10-22-25(18-7-5-6-8-21(18)29(30,31)32)24(34)14-16-27(22,2)20(17)13-15-28(19,23)3/h5-8,17,19-20,23H,4,9-16H2,1-3H3,(H,33,35)/t17?,19?,20?,23-,27-,28+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[C@]2([C@@H](O2)[C@H](COC(=O)C)OC(=O)C)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H30O13S/c1-13-7-9-19(10-8-13)38(30,31)24(23(37-24)21(35-17(5)28)12-33-15(3)26)22(36-18(6)29)20(34-16(4)27)11-32-14(2)25/h7-10,20-23H,11-12H2,1-6H3/t20-,21+,22-,23+,24+/m1/s1
SMILES: C[C@H]1[C@@H]2CC[C@H](C[C@H]2C3=C(N1)C=C(C=C3OC(=O)C)OC(C)CCCC4=CC=CC=C4)O.Cl
InChI: InChI=1S/C27H35NO4.ClH/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25;/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3;1H/t17?,18-,21+,23-,24+;/m0./s1
SMILES: C[C@H](C1=CC=CC=C1)N[C@@H]2CCCC[C@@H]2C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C22H27NO2/c1-17(19-12-6-3-7-13-19)23-21-15-9-8-14-20(21)22(24)25-16-18-10-4-2-5-11-18/h2-7,10-13,17,20-21,23H,8-9,14-16H2,1H3/t17-,20+,21-/m1/s1
SMILES: CC(C)N1C(=O)[C@@]23C=C[C@H](C4=CC=CC=C42)OO[C@H]5C=C[C@]3(C1=O)C6=CC=CC=C56
InChI: InChI=1S/C25H21NO4/c1-15(2)26-22(27)24-13-11-20(16-7-3-5-9-18(16)24)29-30-21-12-14-25(24,23(26)28)19-10-6-4-8-17(19)21/h3-15,20-21H,1-2H3/t20-,21+,24-,25-/m1/s1
SMILES: C1CCN(CC1)C(=O)OCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\O)/C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SC2)C(=O)OC(C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C51H46N6O7S2/c58-45(41(55-62)40-33-66-49(52-40)54-51(37-23-11-3-12-24-37,38-25-13-4-14-26-38)39-27-15-5-16-28-39)53-42-46(59)57-43(36(32-65-47(42)57)31-63-50(61)56-29-17-6-18-30-56)48(60)64-44(34-19-7-1-8-20-34)35-21-9-2-10-22-35/h1-5,7-16,19-28,33,42,44,47,62H,6,17-18,29-32H2,(H,52,54)(H,53,58)/b55-41-/t42-,47-/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)N(N=N3)CC(=O)NC4=C(C=C(C=C4)F)F)C
InChI: InChI=1S/C20H17F2N5O3/c1-10-3-5-13(7-11(10)2)27-19(29)17-18(20(27)30)26(25-24-17)9-16(28)23-15-6-4-12(21)8-14(15)22/h3-8,17-18H,9H2,1-2H3,(H,23,28)/t17-,18-/m0/s1
SMILES: CN1C(=O)[C@@H]2[C@H](C1=O)[C@]3(C(=O)N4[C@@]2(O3)C[C@H](C4)C(=O)OC)C(=O)OC
InChI: InChI=1S/C15H16N2O8/c1-16-9(18)7-8(10(16)19)15(13(22)24-3)12(21)17-5-6(11(20)23-2)4-14(7,17)25-15/h6-8H,4-5H2,1-3H3/t6-,7+,8-,14-,15+/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC=C3C)C
InChI: InChI=1S/C19H25N3O3/c1-12-7-6-8-13(2)16(12)20-15(23)11-22-17(24)19(21-18(22)25)10-5-4-9-14(19)3/h6-8,14H,4-5,9-11H2,1-3H3,(H,20,23)(H,21,25)/t14-,19-/m1/s1
SMILES: CCCCN[C@H]1[C@H](O[C@@H]2CO[C@H](O[C@H]2C1=O)C3=CC=CC=C3)OC
InChI: InChI=1S/C18H25NO5/c1-3-4-10-19-14-15(20)16-13(23-18(14)21-2)11-22-17(24-16)12-8-6-5-7-9-12/h5-9,13-14,16-19H,3-4,10-11H2,1-2H3/t13-,14-,16-,17-,18+/m1/s1
SMILES: CC1=C(C(=CC=C1)C)N2C(=O)[C@H]3[C@H]4CCC[NH+]4[C@@]5([C@@H]3C2=O)C6=CC=CC=C6NC5=O
InChI: InChI=1S/C24H23N3O3/c1-13-7-5-8-14(2)20(13)27-21(28)18-17-11-6-12-26(17)24(19(18)22(27)29)15-9-3-4-10-16(15)25-23(24)30/h3-5,7-10,17-19H,6,11-12H2,1-2H3,(H,25,30)/p+1/t17-,18+,19+,24-/m1/s1
SMILES: CC[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C18H24N2O3/c1-2-12-10-20-6-5-13(12)7-15(20)9-19-18(21)14-3-4-16-17(8-14)23-11-22-16/h3-4,8,12-13,15H,2,5-7,9-11H2,1H3,(H,19,21)/p+1/t12-,13-,15+/m0/s1
SMILES: CCCC[C@@H]1[C@@H]([C@@]2(C(=C([C@]1(C2(OC)OC)Br)Br)Br)Br)OC(=O)C
InChI: InChI=1S/C15H20Br4O4/c1-5-6-7-9-12(23-8(2)20)14(19)11(17)10(16)13(9,18)15(14,21-3)22-4/h9,12H,5-7H2,1-4H3/t9-,12+,13-,14-/m1/s1
SMILES: C[C@@H]([C@H](C(=O)NCCO)NC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC=C(C=C5)C=CC(=O)O[C@H]6C(=O)OCC6(C)C)OC(O4)(C7CC7)C8CC8)O
InChI: InChI=1S/C38H47N3O13/c1-19(43)26(32(45)39-14-15-42)40-35(48)37-16-24-27-28(53-38(52-27,22-9-10-22)23-11-12-23)30(37)54-41(29(37)33(46)50-24)17-21-6-4-20(5-7-21)8-13-25(44)51-31-34(47)49-18-36(31,2)3/h4-8,13,19,22-24,26-31,42-43H,9-12,14-18H2,1-3H3,(H,39,45)(H,40,48)/t19-,24+,26+,27-,28-,29-,30+,31-,37-/m0/s1
SMILES: C1=CC2=C(C=C1Cl)C(=O)[C@H]3[C@H](C34C=C[C+](C=C4)Cl)O2
InChI: InChI=1S/C15H9Cl2O2/c16-8-3-5-15(6-4-8)12-13(18)10-7-9(17)1-2-11(10)19-14(12)15/h1-7,12,14H/q+1/t12-,14+/m0/s1
SMILES: CN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=CC(=CC=C5)O)Cl)C6=CC=C(C=C6)F)Cl
InChI: InChI=1S/C27H21Cl2FN2O5/c1-31-22(34)18-10-9-17-19(20(18)23(31)35)12-26(28)24(36)32(15-7-5-14(30)6-8-15)25(37)27(26,29)21(17)13-3-2-4-16(33)11-13/h2-9,11,18-21,33H,10,12H2,1H3/t18-,19+,20-,21-,26+,27-/m0/s1
SMILES: CCOC(=O)C[N+]1(CC[C@@H]2[C@@H](C1)C3=C(N2C(=O)C4=CC=C(C=C4)F)C=CC(=C3)C)C
InChI: InChI=1S/C24H28FN2O3/c1-4-30-23(28)15-27(3)12-11-22-20(14-27)19-13-16(2)5-10-21(19)26(22)24(29)17-6-8-18(25)9-7-17/h5-10,13,20,22H,4,11-12,14-15H2,1-3H3/q+1/t20-,22+,27?/m0/s1
SMILES: CCCCCCCCCCCCCC[C@@H]1[C@H](OC(O1)(C)C)[C@@H](CO)NC(=O)OC(C)(C)C
InChI: InChI=1S/C26H51NO5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(31-26(5,6)30-22)21(20-28)27-24(29)32-25(2,3)4/h21-23,28H,7-20H2,1-6H3,(H,27,29)/t21-,22-,23-/m1/s1