EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1[C@H](C[C@H](N1)C(=O)N2CCSC2)C(=O)N3CCN(CC3)C4=NC(=NS4)C
InChI: InChI=1S/C17H26N6O2S2/c1-11-13(9-14(18-11)16(25)23-7-8-26-10-23)15(24)21-3-5-22(6-4-21)17-19-12(2)20-27-17/h11,13-14,18H,3-10H2,1-2H3/t11-,13-,14-/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@H]([C@H]1CCC2=O)CC=C4[C@@]3(CCC(=C4)OC)C
InChI: InChI=1S/C20H28O2/c1-19-10-8-14(22-3)12-13(19)4-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19/h4,12,15-17H,5-11H2,1-3H3/t15-,16+,17+,19-,20+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)O[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)OC)CO)O)C(=O)OC)OC(=O)C
InChI: InChI=1S/C20H30O15/c1-7(22)30-14-15(31-8(2)23)17(32-9(3)24)20(35-16(14)18(27)28-4)34-13-11(25)10(6-21)33-19(29-5)12(13)26/h10-17,19-21,25-26H,6H2,1-5H3/t10-,11+,12-,13+,14+,15+,16+,17-,19+,20-/m1/s1
SMILES: CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)O[C@@H](C)C(=O)N4CC[C@]5(CCCC[C@@H]5C4)O
InChI: InChI=1S/C25H31NO5/c1-15-21(10-9-19-18-7-5-8-20(18)24(28)31-22(15)19)30-16(2)23(27)26-13-12-25(29)11-4-3-6-17(25)14-26/h9-10,16-17,29H,3-8,11-14H2,1-2H3/t16-,17+,25-/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@H](C[C@@H]1[C@@H](O1)COCC2=CC=CC=C2)O
InChI: InChI=1S/C22H38O4Si/c1-16(2)27(17(3)4,18(5)6)25-14-20(23)12-21-22(26-21)15-24-13-19-10-8-7-9-11-19/h7-11,16-18,20-23H,12-15H2,1-6H3/t20-,21+,22-/m0/s1
SMILES: C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O
InChI: InChI=1S/C20H28O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h6,8,10,14-17,22-23H,4-5,7,9,11H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-/m0/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=NC4=O)N)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=NC6=O)N)CO)O)O
InChI: InChI=1S/C27H37N9O19P2/c28-13-1-4-34(25(42)31-13)22-17(39)16(38)11(52-22)8-49-56(45,46)55-21-12(53-24(19(21)41)36-6-3-15(30)33-27(36)44)9-50-57(47,48)54-20-10(7-37)51-23(18(20)40)35-5-2-14(29)32-26(35)43/h1-6,10-12,16-24,37-41H,7-9H2,(H,45,46)(H,47,48)(H2,28,31,42)(H2,29,32,43)(H2,30,33,44)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,22-,23-,24-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C=C(N=N2)C3=CC=CC=C3)OC(=O)C)OC(=O)C)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C34H41N3O17/c1-16(38)45-14-25-28(54-34-32(51-22(7)44)30(49-20(5)42)27(47-18(3)40)26(53-34)15-46-17(2)39)29(48-19(4)41)31(50-21(6)43)33(52-25)37-13-24(35-36-37)23-11-9-8-10-12-23/h8-13,25-34H,14-15H2,1-7H3/t25-,26-,27+,28-,29+,30+,31-,32-,33-,34+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@@H]([C@H]1CC(=O)OC)O2
InChI: InChI=1S/C14H26O4Si/c1-14(2,3)19(5,6)18-10-8-11-13(17-11)9(10)7-12(15)16-4/h9-11,13H,7-8H2,1-6H3/t9-,10+,11-,13+/m0/s1
SMILES: CC1C(C(=NO1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OCC4=CC=CC=C4)C(=O)O
InChI: InChI=1S/C19H23NO7/c1-10-12(17(21)22)13(20-27-10)14-15(23-9-11-7-5-4-6-8-11)16-18(24-14)26-19(2,3)25-16/h4-8,10,12,14-16,18H,9H2,1-3H3,(H,21,22)/t10?,12?,14-,15+,16-,18-/m1/s1
SMILES: CCCCCOC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)CCCOC)O2
InChI: InChI=1S/C18H27NO5/c1-3-4-5-11-23-17(21)14-13-7-8-18(24-13)12-19(9-6-10-22-2)16(20)15(14)18/h7-8,13-15H,3-6,9-12H2,1-2H3/t13-,14?,15-,18+/m0/s1
SMILES: CCCN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC=C)OCC=C)CCCCO)CCCCO)C(=O)C=CC5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C43H55N3O9/c1-5-22-45(40(49)21-16-30-14-17-32(18-15-30)46(50)51)39-29-37(44-52-4)35-27-31(12-8-10-23-47)34(13-9-11-24-48)41-36-28-33(53-25-6-2)19-20-38(36)55-43(39,42(35)41)54-26-7-3/h6-7,14-21,27-28,31,34,39,41-42,47-48H,2-3,5,8-13,22-26,29H2,1,4H3/t31-,34+,39-,41+,42+,43+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43
InChI: InChI=1S/C20H23N3O3/c1-12-6-5-8-15(13(12)2)22-17(24)10-23-11-21-18-14-7-3-4-9-16(14)26-19(18)20(23)25/h3-4,7,9,11-13,15H,5-6,8,10H2,1-2H3,(H,22,24)/t12-,13-,15-/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@]2(CC3=C1N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)Cl)C)[C@H](C)C(=O)N5CCCC5)O
InChI: InChI=1S/C26H34ClN3O4S2/c1-15(24(32)30-12-4-5-13-30)19-10-11-26(3)14-20-22(16(2)21(26)23(19)31)28-25(35-20)29-36(33,34)18-8-6-17(27)7-9-18/h6-9,15-16,19,21,23,31H,4-5,10-14H2,1-3H3,(H,28,29)/t15-,16-,19+,21+,23-,26-/m0/s1
SMILES: CC[Si](CC)(CC)OC[C@H]1[C@@H]([C@H]([C@@H](C(=O)O1)C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H42O4Si2/c1-11-26(12-2,13-3)22-14-17-18(15(4)16(5)19(21)23-17)24-25(9,10)20(6,7)8/h15-18H,11-14H2,1-10H3/t15-,16-,17-,18+/m0/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC(C)(C)C)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(C)C(=O)C5=CC6=CC=CC=C6C=C5)OCC=C
InChI: InChI=1S/C56H79N3O8/c1-7-9-10-11-12-13-14-15-16-21-32-57-54(63)65-44-30-31-49-47(38-44)51-45(27-20-23-34-61)42(26-19-22-33-60)37-46-48(58-67-55(3,4)5)39-50(56(66-49,52(46)51)64-35-8-2)59(6)53(62)43-29-28-40-24-17-18-25-41(40)36-43/h8,17-18,24-25,28-31,36-38,42,45,50-52,60-61H,2,7,9-16,19-23,26-27,32-35,39H2,1,3-6H3,(H,57,63)/t42-,45+,50-,51+,52+,56+/m0/s1
SMILES: CN1C(=O)[C@H]2[C@@H](C1=O)C3(C4=CC=CC=C4C2C5=CC=CC=C53)C(=O)O
InChI: InChI=1S/C20H15NO4/c1-21-17(22)15-14-10-6-2-4-8-12(10)20(19(24)25,16(15)18(21)23)13-9-5-3-7-11(13)14/h2-9,14-16H,1H3,(H,24,25)/t14?,15-,16+,20?/m1/s1
SMILES: C1[C@H]([C@@H]1C2=C3C(=NC=N2)N(C=N3)CC4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C21H18N4/c1-3-7-15(8-4-1)12-25-14-24-20-19(22-13-23-21(20)25)18-11-17(18)16-9-5-2-6-10-16/h1-10,13-14,17-18H,11-12H2/t17-,18+/m0/s1
SMILES: CC(=O)OC[C@]12CC[C@H]([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)OC(=O)C)C)C(=C)CNC6CCCCC6
InChI: InChI=1S/C40H65NO4/c1-26(24-41-29-12-10-9-11-13-29)30-16-21-40(25-44-27(2)42)23-22-38(7)31(35(30)40)14-15-33-37(6)19-18-34(45-28(3)43)36(4,5)32(37)17-20-39(33,38)8/h29-35,41H,1,9-25H2,2-8H3/t30-,31+,32-,33+,34-,35+,37-,38+,39+,40+/m0/s1
SMILES: C[C@@H]1[C@@H]([NH2+][C@H]([C@@H](C1=O)C)C2=CC(=CC=C2)Br)C3=CC(=CC=C3)Br
InChI: InChI=1S/C19H19Br2NO/c1-11-17(13-5-3-7-15(20)9-13)22-18(12(2)19(11)23)14-6-4-8-16(21)10-14/h3-12,17-18,22H,1-2H3/p+1/t11-,12+,17-,18-/m1/s1
SMILES: CCOC1=CC=CC=C1NC(=O)[C@@H]2[C@H](NC(=O)NC2=C)C3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C20H20N4O5/c1-3-29-16-10-5-4-9-15(16)22-19(25)17-12(2)21-20(26)23-18(17)13-7-6-8-14(11-13)24(27)28/h4-11,17-18H,2-3H2,1H3,(H,22,25)(H2,21,23,26)/t17-,18+/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=CC=CC(=C1)CNC(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=C(C=C4)C=CC5CCC6C(C5)O6)OC(O3)(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C52H56N2O10/c1-51(2,3)63-46(56)26-24-41(32-55)54-49(58)37-12-10-11-35(27-37)31-53-48(57)38-29-44(61-50(59)36-22-19-33(20-23-36)17-18-34-21-25-42-43(28-34)60-42)47-45(30-38)62-52(64-47,39-13-6-4-7-14-39)40-15-8-5-9-16-40/h4-20,22-23,27,30,34,41-45,47,55H,21,24-26,28-29,31-32H2,1-3H3,(H,53,57)(H,54,58)/t34?,41-,42?,43?,44+,45+,47-/m0/s1
SMILES: CCCO[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)NC(=NC)N)C(=O)O
InChI: InChI=1S/C14H24N4O4/c1-4-5-22-11-7-9(13(20)21)6-10(18-14(15)16-3)12(11)17-8(2)19/h7,10-12H,4-6H2,1-3H3,(H,17,19)(H,20,21)(H3,15,16,18)/t10-,11+,12+/m0/s1
SMILES: C[C@H]1C[C@@H]1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl
InChI: InChI=1S/C13H17ClN2O3S2/c1-9-8-10(9)13(17)15-4-6-16(7-5-15)21(18,19)12-3-2-11(14)20-12/h2-3,9-10H,4-8H2,1H3/t9-,10-/m0/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC6=CC7=CC=CC=C7C=C6)CCCCO)CCCCO)N(CCOCCO)C(=O)OCCOCC8=CC=CC=C8
InChI: InChI=1S/C58H68N2O11/c1-2-31-68-58-54(60(27-32-65-33-30-63)57(64)67-35-34-66-40-42-15-5-3-6-16-42)39-52(59-69-41-43-17-7-4-8-18-43)50-37-46(21-11-13-28-61)49(22-12-14-29-62)55(56(50)58)51-38-48(25-26-53(51)71-58)70-47-24-23-44-19-9-10-20-45(44)36-47/h2-10,15-20,23-26,36-38,46,49,54-56,61-63H,1,11-14,21-22,27-35,39-41H2/t46-,49+,54-,55+,56+,58+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNC4=CC=C(C=C4)CN)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C22H30N4O4S/c1-11-18-17(12(2)27)21(28)26(18)19(22(29)30)20(11)31-16-7-15(25-10-16)9-24-14-5-3-13(8-23)4-6-14/h3-6,11-12,15-18,24-25,27H,7-10,23H2,1-2H3,(H,29,30)/t11-,12-,15+,16+,17-,18-/m1/s1
SMILES: CCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)OC)O)O)O
InChI: InChI=1S/C21H41O14P/c1-3-4-5-6-7-8-9-31-21-19(17(26)14(23)12(10-22)33-21)35-20-18(27)16(25)15(24)13(34-20)11-32-36(28,29)30-2/h12-27H,3-11H2,1-2H3,(H,28,29)/t12-,13-,14-,15-,16+,17+,18+,19+,20-,21+/m1/s1
SMILES: C1C2CC3CC1CC(C2)C3=C4[C@@H]5C=C[C@H]4[C@H]6[C@H]5C(=O)N(C6=O)C7=CC(=CC(=C7)Cl)Cl
InChI: InChI=1S/C25H23Cl2NO2/c26-15-8-16(27)10-17(9-15)28-24(29)22-18-1-2-19(23(22)25(28)30)21(18)20-13-4-11-3-12(6-13)7-14(20)5-11/h1-2,8-14,18-19,22-23H,3-7H2/t11?,12?,13?,14?,18-,19+,22-,23-/m0/s1
SMILES: C1[C@H]2[C@H]3[C@@H]([C@@H]1C4=CC5=C(NC(=O)S5)S[C@@H]24)C(=O)N(C3=O)CCCC(=O)[O-]
InChI: InChI=1S/C17H16N2O5S2/c20-10(21)2-1-3-19-15(22)11-6-4-8(12(11)16(19)23)13-7(6)5-9-14(26-13)18-17(24)25-9/h5-6,8,11-13H,1-4H2,(H,18,24)(H,20,21)/p-1/t6-,8-,11+,12-,13+/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)O3
InChI: InChI=1S/C15H15NO5/c1-20-9-4-2-8(3-5-9)16-14(17)12-10-6-7-11(21-10)13(12)15(18)19/h2-7,10-13H,1H3,(H,16,17)(H,18,19)/t10-,11+,12-,13+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O)O)O
InChI: InChI=1S/C12H23O14P/c13-1-4-7(16)10(19)12(3-14,25-4)26-11-9(18)8(17)6(15)5(24-11)2-23-27(20,21)22/h4-11,13-19H,1-3H2,(H2,20,21,22)/t4-,5-,6-,7-,8+,9-,10+,11-,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)CNS(=O)(=O)C4=CC=CC=C4)CN5[C@@H]6CCCC[C@@H]6CC[C@@H]5C(=O)NC(C)(C)C
InChI: InChI=1S/C40H53N3O6S/c1-27-36(25-43-34-13-9-8-10-30(34)22-23-35(43)38(45)42-40(2,3)4)48-39(49-37(27)31-18-16-29(26-44)17-19-31)32-20-14-28(15-21-32)24-41-50(46,47)33-11-6-5-7-12-33/h5-7,11-12,14-21,27,30,34-37,39,41,44H,8-10,13,22-26H2,1-4H3,(H,42,45)/t27-,30+,34+,35+,36+,37+,39+/m0/s1
SMILES: CCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C26H44O4/c1-5-30-24(29)11-6-16(2)20-9-10-21-19-8-7-17-14-18(27)12-13-25(17,3)22(19)15-23(28)26(20,21)4/h16-23,27-28H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
SMILES: C1CN(CCN1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])C(=O)C4=CC=CO4.Cl
InChI: InChI=1S/C15H19N3O7.ClH/c19-15(11-2-1-7-22-11)17-5-3-16(4-6-17)10-8-23-14-12(25-18(20)21)9-24-13(10)14;/h1-2,7,10,12-14H,3-6,8-9H2;1H/t10-,12-,13+,14+;/m0./s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=C(C=CC(=C6)OC(F)(F)F)O)C(=O)N(C5=O)C7=CC(=CC=C7)[N+](=O)[O-])C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C40H29Cl2F3N4O9/c1-57-23-8-5-19(6-9-23)39-29(36(52)48(38(39)54)46-31-13-7-20(41)15-30(31)42)18-27-25(34(39)28-17-24(10-14-32(28)50)58-40(43,44)45)11-12-26-33(27)37(53)47(35(26)51)21-3-2-4-22(16-21)49(55)56/h2-11,13-17,26-27,29,33-34,46,50H,12,18H2,1H3/t26-,27+,29-,33-,34+,39+/m0/s1
SMILES: C1CC[C@@H]2C/C(=N\NC(=O)C3=CC(=CC=C3)O)/CC[C@@H]2C1
InChI: InChI=1S/C17H22N2O2/c20-16-7-3-6-14(11-16)17(21)19-18-15-9-8-12-4-1-2-5-13(12)10-15/h3,6-7,11-13,20H,1-2,4-5,8-10H2,(H,19,21)/b18-15-/t12-,13+/m0/s1
SMILES: CC(C)NC(=O)[C@@H]1[C@H]([C@H](CN1C(=O)C2=C(C=C(C=C2)F)F)O)O
InChI: InChI=1S/C15H18F2N2O4/c1-7(2)18-14(22)12-13(21)11(20)6-19(12)15(23)9-4-3-8(16)5-10(9)17/h3-5,7,11-13,20-21H,6H2,1-2H3,(H,18,22)/t11-,12-,13-/m0/s1
SMILES: C1[C@H]([C@@H](C(=O)C=C1C2=CC=CC=C2)N3N=C(N=N3)[N+](=O)[O-])C4=CC=CC=C4
InChI: InChI=1S/C19H15N5O3/c25-17-12-15(13-7-3-1-4-8-13)11-16(14-9-5-2-6-10-14)18(17)23-21-19(20-22-23)24(26)27/h1-10,12,16,18H,11H2/t16-,18-/m0/s1
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@H](C(CCO2)CN3CCC4(CC3)COCC4(C)O)C5=CC=C(C=C5)F
InChI: InChI=1S/C31H36F7NO4/c1-19(22-13-23(30(33,34)35)15-24(14-22)31(36,37)38)43-27-26(20-3-5-25(32)6-4-20)21(7-12-42-27)16-39-10-8-29(9-11-39)18-41-17-28(29,2)40/h3-6,13-15,19,21,26-27,40H,7-12,16-18H2,1-2H3/t19-,21?,26+,27-,28?/m1/s1
SMILES: C[C@@H](C(=O)N1[C@@H]2[C@@H]([C@@H]3[C@H](O2)CO[C@@H](O3)C4=CC=CC=C4)OC1=O)Cl
InChI: InChI=1S/C16H16ClNO6/c1-8(17)13(19)18-14-12(24-16(18)20)11-10(22-14)7-21-15(23-11)9-5-3-2-4-6-9/h2-6,8,10-12,14-15H,7H2,1H3/t8-,10+,11-,12+,14-,15-/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H]1CN2[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)C[C@H](O2)CCO
InChI: InChI=1S/C19H38N2O5Si/c1-18(2,3)24-17(23)20-14-12-21-15(11-13(25-21)9-10-22)16(14)26-27(7,8)19(4,5)6/h13-16,22H,9-12H2,1-8H3,(H,20,23)/t13-,14-,15+,16-/m1/s1
SMILES: C1C=C([C@@H]([C@H]2[C@@H]1C(=O)N(C2=O)CC3=CC=CC=C3)CO)CO
InChI: InChI=1S/C17H19NO4/c19-9-12-6-7-13-15(14(12)10-20)17(22)18(16(13)21)8-11-4-2-1-3-5-11/h1-6,13-15,19-20H,7-10H2/t13-,14+,15-/m1/s1
SMILES: CC(=O)OC1=CC2=C(C=C1)[C@H]([C@H](CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5
InChI: InChI=1S/C30H33NO3/c1-22(32)34-27-14-16-29-25(21-27)11-15-28(23-7-3-2-4-8-23)30(29)24-9-12-26(13-10-24)33-20-19-31-17-5-6-18-31/h2-4,7-10,12-14,16,21,28,30H,5-6,11,15,17-20H2,1H3/t28-,30+/m1/s1
SMILES: CC[C@H]1[C@@H]2CC=C[C@@H](N2N(CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)O1
InChI: InChI=1S/C23H26N2O2/c1-2-22-20-14-9-15-21(23(26)27-22)25(20)24(16-18-10-5-3-6-11-18)17-19-12-7-4-8-13-19/h3-13,15,20-22H,2,14,16-17H2,1H3/t20-,21+,22-/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)[C@H]2[C@H]3CCCC[C@@]3(OC4=CC5=C(C=C24)OCO5)[NH+]6CCCC6
InChI: InChI=1S/C26H32N2O3/c1-27(2)19-10-8-18(9-11-19)25-20-15-23-24(30-17-29-23)16-22(20)31-26(28-13-5-6-14-28)12-4-3-7-21(25)26/h8-11,15-16,21,25H,3-7,12-14,17H2,1-2H3/p+1/t21-,25-,26+/m1/s1
SMILES: C=C1[C@@H]([C@H](NC(=O)N1)C2=C(C=C(C=C2)F)F)C(=O)NC3=CC=CC=C3
InChI: InChI=1S/C18H15F2N3O2/c1-10-15(17(24)22-12-5-3-2-4-6-12)16(23-18(25)21-10)13-8-7-11(19)9-14(13)20/h2-9,15-16H,1H2,(H,22,24)(H2,21,23,25)/t15-,16+/m0/s1
SMILES: CCCCCC(=O)NC1=CC=CC(=C1)[C@@H]2C[C@H]3CN(CC[C@@H]3O2)C(=O)C4CCCC4
InChI: InChI=1S/C25H36N2O3/c1-2-3-4-12-24(28)26-21-11-7-10-19(15-21)23-16-20-17-27(14-13-22(20)30-23)25(29)18-8-5-6-9-18/h7,10-11,15,18,20,22-23H,2-6,8-9,12-14,16-17H2,1H3,(H,26,28)/t20-,22-,23-/m0/s1
SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3=CCC(OC3)C4=CC(=O)O[C@H]4O)CCCC2=C)C
InChI: InChI=1S/C25H36O4/c1-16-6-5-7-21-24(16,3)12-10-17(2)25(21,4)13-11-18-8-9-20(28-15-18)19-14-22(26)29-23(19)27/h8,14,17,20-21,23,27H,1,5-7,9-13,15H2,2-4H3/t17-,20?,21+,23-,24+,25+/m1/s1
SMILES: C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)F)O)/[C@@H]1CC[C@@H]2C4(CC4)CC#CC(C(F)(F)F)(C(F)(F)F)O
InChI: InChI=1S/C28H33F7O2/c1-17-19(15-20(36)16-22(17)29)7-6-18-5-3-10-24(2)21(18)8-9-23(24)25(13-14-25)11-4-12-26(37,27(30,31)32)28(33,34)35/h6-7,20-23,36-37H,1,3,5,8-11,13-16H2,2H3/b18-6+,19-7-/t20-,21+,22+,23+,24+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)CCOC3=CC=C(C=C3)Cl
InChI: InChI=1S/C21H32ClN3O2/c1-17-4-2-3-5-20(17)23-21(26)16-25-12-10-24(11-13-25)14-15-27-19-8-6-18(22)7-9-19/h6-9,17,20H,2-5,10-16H2,1H3,(H,23,26)/t17-,20-/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@H](C[C@@H](C3=C(C(=C(C1=C23)O[C@@H]4[C@H]([C@@H]([C@H](CO4)O)O)O)OC)C)C=C(C)C)C
InChI: InChI=1S/C26H38O6/c1-12(2)9-16-10-14(4)17-8-7-13(3)19-21(17)20(16)15(5)24(30-6)25(19)32-26-23(29)22(28)18(27)11-31-26/h9,13-14,16-18,22-23,26-29H,7-8,10-11H2,1-6H3/t13-,14-,16-,17+,18-,22+,23-,26+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4CC4)CC=C5[C@@]3(CC[C@@H](C5)O)C
InChI: InChI=1S/C22H34O2/c1-21-11-9-15(23)13-14(21)3-6-17-18-7-8-20(24-16-4-5-16)22(18,2)12-10-19(17)21/h3,15-20,23H,4-13H2,1-2H3/t15-,17-,18-,19-,20-,21-,22-/m0/s1
SMILES: CS(=O)(=O)NC1=CC=C(C=C1)OC2=CN=C(C=C2)NC(=O)N[C@@H]3[C@H]4[C@@H]3C5=C(C=CC(=C5OC4)F)F
InChI: InChI=1S/C23H20F2N4O5S/c1-35(31,32)29-12-2-4-13(5-3-12)34-14-6-9-18(26-10-14)27-23(30)28-21-15-11-33-22-17(25)8-7-16(24)20(22)19(15)21/h2-10,15,19,21,29H,11H2,1H3,(H2,26,27,28,30)/t15-,19-,21-/m1/s1
SMILES: CC[Si](CC)(CC)OC/C=C/O[C@@H]1C=CCC[C@H]1O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H42O3Si2/c1-9-26(10-2,11-3)23-18-14-17-22-19-15-12-13-16-20(19)24-25(7,8)21(4,5)6/h12,14-15,17,19-20H,9-11,13,16,18H2,1-8H3/b17-14+/t19-,20-/m1/s1
SMILES: COC(=O)[C@@H]1[C@H]2CC[C@@H]3N2C/C(=C\C4=CC(=CC(=C4)Cl)Cl)/[C@H]1C3
InChI: InChI=1S/C18H19Cl2NO2/c1-23-18(22)17-15-8-14-2-3-16(17)21(14)9-11(15)4-10-5-12(19)7-13(20)6-10/h4-7,14-17H,2-3,8-9H2,1H3/b11-4+/t14-,15+,16+,17-/m0/s1
SMILES: C[C@]12CC[C@H]([C@@]1(C)CO[Si](C)(C)C(C)(C)C)C3C2=CC(C3)O
InChI: InChI=1S/C19H34O2Si/c1-17(2,3)22(6,7)21-12-19(5)15-8-9-18(19,4)16-11-13(20)10-14(15)16/h11,13-15,20H,8-10,12H2,1-7H3/t13?,14?,15-,18+,19+/m0/s1
SMILES: C1=CSC(=C1)C(=O)[C@H]2[C@@H](NC(=O)N[C@@]2(C(F)(F)F)O)C3=CSC=C3
InChI: InChI=1S/C14H11F3N2O3S2/c15-14(16,17)13(22)9(11(20)8-2-1-4-24-8)10(18-12(21)19-13)7-3-5-23-6-7/h1-6,9-10,22H,(H2,18,19,21)/t9-,10+,13-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH+](C)CC(=O)NC2=C(C=CC=C2Cl)Cl
InChI: InChI=1S/C19H27Cl2N3O2/c1-12-7-4-5-10-16(12)22-19(26)13(2)24(3)11-17(25)23-18-14(20)8-6-9-15(18)21/h6,8-9,12-13,16H,4-5,7,10-11H2,1-3H3,(H,22,26)(H,23,25)/p+1/t12-,13-,16+/m1/s1
SMILES: CCC1(OC[C@@H](O1)[C@H]([C@H]2[C@@H]3[C@H]([C@@H]4[C@@H](O2)CC[C@@H](O4)CC(=O)OC)OC(O3)(CC)CC)O[Si](C)(C)C(C)(C)C)CC
InChI: InChI=1S/C30H54O9Si/c1-11-29(12-2)33-18-21(36-29)24(39-40(9,10)28(5,6)7)25-27-26(37-30(13-3,14-4)38-27)23-20(35-25)16-15-19(34-23)17-22(31)32-8/h19-21,23-27H,11-18H2,1-10H3/t19-,20+,21-,23+,24-,25+,26+,27-/m1/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C(=CC=C5)OCC)O)C6=CC=C(C=C6)Cl)NC7=C(C=C(C=N7)C(F)(F)F)Cl
InChI: InChI=1S/C37H33Cl2F3N4O6/c1-3-14-45-32(48)22-13-12-21-24(28(22)34(45)50)16-25-33(49)46(44-31-26(39)15-19(17-43-31)37(40,41)42)35(51)36(25,18-8-10-20(38)11-9-18)29(21)23-6-5-7-27(30(23)47)52-4-2/h5-12,15,17,22,24-25,28-29,47H,3-4,13-14,16H2,1-2H3,(H,43,44)/t22-,24+,25-,28-,29+,36+/m0/s1
SMILES: C[Si](C)(C)CCOCO[C@H]1[C@@H]2[C@H](C=C([C@H]1OCOCC[Si](C)(C)C)C(=O)O)OC3(O2)CCCCC3
InChI: InChI=1S/C25H46O8Si2/c1-34(2,3)14-12-28-17-30-21-19(24(26)27)16-20-22(33-25(32-20)10-8-7-9-11-25)23(21)31-18-29-13-15-35(4,5)6/h16,20-23H,7-15,17-18H2,1-6H3,(H,26,27)/t20-,21+,22-,23+/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)CCCCCNC(=O)C)CN5[C@@H]6CCCC[C@@H]6CC[C@@H]5C(=O)NC(C)(C)C
InChI: InChI=1S/C48H66N4O6/c1-32-43(30-52-41-16-11-9-13-36(41)26-27-42(52)46(56)51-48(3,4)5)57-47(58-45(32)37-20-18-34(31-53)19-21-37)38-24-22-35(23-25-38)40-15-10-8-14-39(40)29-50-44(55)17-7-6-12-28-49-33(2)54/h8,10,14-15,18-25,32,36,41-43,45,47,53H,6-7,9,11-13,16-17,26-31H2,1-5H3,(H,49,54)(H,50,55)(H,51,56)/t32-,36+,41+,42+,43+,45+,47+/m0/s1
SMILES: CCCCCCCCC(=O)OC1=C2C3=C(C[C@H]4[C@]5([C@]3(CCN4CC=C)[C@@H](O2)C(=O)CC5)O)C=C1
InChI: InChI=1S/C28H37NO5/c1-3-5-6-7-8-9-10-23(31)33-21-12-11-19-18-22-28(32)14-13-20(30)26-27(28,24(19)25(21)34-26)15-17-29(22)16-4-2/h4,11-12,22,26,32H,2-3,5-10,13-18H2,1H3/t22-,26-,27-,28+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2[C@@H](COC1O)O[C@H](O2)C3=CC=CC=C3
InChI: InChI=1S/C18H28O5Si/c1-18(2,3)24(4,5)23-15-14-13(11-20-16(15)19)21-17(22-14)12-9-7-6-8-10-12/h6-10,13-17,19H,11H2,1-5H3/t13-,14-,15-,16?,17-/m1/s1
SMILES: C[C@@]12CO[C@H](O[C@H]1C[C@@H]3[C@@](O2)([C@H](C[C@@H](O3)CC=C)OCC4=CC=C(C=C4)OC)C)C5=CC=CC=C5
InChI: InChI=1S/C29H36O6/c1-5-9-23-16-25(31-18-20-12-14-22(30-4)15-13-20)29(3)26(33-23)17-24-28(2,35-29)19-32-27(34-24)21-10-7-6-8-11-21/h5-8,10-15,23-27H,1,9,16-19H2,2-4H3/t23-,24-,25-,26+,27+,28+,29-/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C25H36O16/c1-10-18(35-11(2)26)20(37-13(4)28)23(40-16(7)31)25(34-10)33-9-17-19(36-12(3)27)21(38-14(5)29)22(39-15(6)30)24(32-8)41-17/h10,17-25H,9H2,1-8H3/t10-,17-,18+,19+,20+,21+,22-,23-,24+,25-/m1/s1
SMILES: C[C@H]1[C@@H](OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)OC
InChI: InChI=1S/C17H17NO4/c1-11-16(22-15-6-4-3-5-14(15)21-11)17(19)18-12-7-9-13(20-2)10-8-12/h3-11,16H,1-2H3,(H,18,19)/t11-,16+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=C3CCCCCC3=NC4=CC=CC=C42
InChI: InChI=1S/C25H32N2O3/c1-16-9-8-14-20(17(16)2)27-23(28)15-30-25(29)24-18-10-4-3-5-12-21(18)26-22-13-7-6-11-19(22)24/h6-7,11,13,16-17,20H,3-5,8-10,12,14-15H2,1-2H3,(H,27,28)/t16-,17+,20+/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)C4=CC=CC(=C4)CNC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)OC)CN6CCN(CC6)C7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C47H51N5O8/c1-32-43(30-50-22-24-51(25-23-50)40-18-20-41(21-19-40)52(56)57)59-46(60-44(32)36-16-14-34(31-53)15-17-36)39-13-7-12-38(28-39)37-11-6-10-35(26-37)29-48-47(55)49-42(45(54)58-2)27-33-8-4-3-5-9-33/h3-21,26,28,32,42-44,46,53H,22-25,27,29-31H2,1-2H3,(H2,48,49,55)/t32-,42-,43+,44+,46+/m0/s1
SMILES: CCNC(=O)NC1=CC=C(C=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CN4CCCCC4
InChI: InChI=1S/C27H37N3O4/c1-3-28-27(32)29-23-13-11-22(12-14-23)26-33-24(17-30-15-5-4-6-16-30)19(2)25(34-26)21-9-7-20(18-31)8-10-21/h7-14,19,24-26,31H,3-6,15-18H2,1-2H3,(H2,28,29,32)/t19-,24+,25+,26+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCNC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C24H49NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-24-23(29)22(28)21(27)20(19-26)30-24/h20-29H,2-19H2,1H3/t20-,21-,22+,23-,24?/m1/s1
SMILES: C/C(=C\CO)/CC/C=C(\C)/CC(/C=C(\C)/CC[C@@H]1[C@@](O1)(C)CO)S(=O)(=O)C2=CC=CC=C2
InChI: InChI=1S/C26H38O5S/c1-20(15-16-27)9-8-10-21(2)17-24(32(29,30)23-11-6-5-7-12-23)18-22(3)13-14-25-26(4,19-28)31-25/h5-7,10-12,15,18,24-25,27-28H,8-9,13-14,16-17,19H2,1-4H3/b20-15+,21-10+,22-18+/t24?,25-,26-/m1/s1
SMILES: C[NH+](CC1=CC=CC=C1)CC2=CN(N=N2)C[C@H]3C[C@H]4CC[NH+]3C[C@@H]4C(=O)NCC5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C28H34N6O3/c1-32(14-20-5-3-2-4-6-20)15-23-16-34(31-30-23)17-24-12-22-9-10-33(24)18-25(22)28(35)29-13-21-7-8-26-27(11-21)37-19-36-26/h2-8,11,16,22,24-25H,9-10,12-15,17-19H2,1H3,(H,29,35)/p+2/t22-,24-,25+/m1/s1
SMILES: CC1=CC(=CC=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/C24H18Cl2N2O3/c1-14-6-5-9-17(12-14)27-23(29)20-21(18-11-10-15(25)13-19(18)26)28(31-22(20)24(27)30)16-7-3-2-4-8-16/h2-13,20-22H,1H3/t20-,21-,22-/m0/s1
SMILES: CCC1=CC=C(C=C1)S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)C3=C(C=CC(=C3)C(F)(F)F)NC(=O)OC(C)(C)C
InChI: InChI=1S/C30H38F3N3O6S/c1-5-19-10-13-22(14-11-19)43(40,41)18-20-8-6-7-9-24(20)35-26(37)17-34-27(38)23-16-21(30(31,32)33)12-15-25(23)36-28(39)42-29(2,3)4/h10-16,20,24H,5-9,17-18H2,1-4H3,(H,34,38)(H,35,37)(H,36,39)/t20-,24-/m0/s1
SMILES: CC[C@@]12CN(CC[C@@H]1C3(C4=C2C5=CC=CC=C5N4)SCCCS3)C
InChI: InChI=1S/C20H26N2S2/c1-3-19-13-22(2)10-9-16(19)20(23-11-6-12-24-20)18-17(19)14-7-4-5-8-15(14)21-18/h4-5,7-8,16,21H,3,6,9-13H2,1-2H3/t16-,19+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H28N2O5/c1-12-6-2-5-9-15(12)20-16(22)11-26-17(23)10-21-18(24)13-7-3-4-8-14(13)19(21)25/h12-15H,2-11H2,1H3,(H,20,22)/t12-,13-,14+,15-/m0/s1
SMILES: C[C@H]1C[C@@H]1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C
InChI: InChI=1S/C18H26N2O3S/c1-13(2)15-4-6-16(7-5-15)24(22,23)20-10-8-19(9-11-20)18(21)17-12-14(17)3/h4-7,13-14,17H,8-12H2,1-3H3/t14-,17-/m0/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)/C=C\CO)C
InChI: InChI=1S/C14H22O6/c1-13(2)17-9-8(6-5-7-15)16-12-11(10(9)18-13)19-14(3,4)20-12/h5-6,8-12,15H,7H2,1-4H3/b6-5-/t8-,9+,10+,11-,12-/m1/s1
SMILES: C[C@@H]1CO[C@@]2(O1)[C@@]3([C@@H]([C@@]3(C(=[NH+]2)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)/p+1/t8-,12-,14-,15-,16-/m1/s1
SMILES: C1CN(CCN1CCCN)CCCNC(=O)C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)[N+](=O)[O-]
InChI: InChI=1S/C23H37N5O9/c24-3-1-5-26-7-9-27(10-8-26)6-2-4-25-22(33)15-11-16(28(34)35)13-17(12-15)36-23-21(32)20(31)19(30)18(14-29)37-23/h11-13,18-21,23,29-32H,1-10,14,24H2,(H,25,33)/t18-,19+,20+,21-,23-/m1/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO[Si](C(C)C)(C(C)C)C(C)C)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)C(C)(C)C)OCC6=CC=CC=C6)O
InChI: InChI=1S/C56H78O11SSi/c1-11-68-54-47(57)50(61-34-43-28-20-14-21-29-43)49(45(65-54)36-59-32-41-24-16-12-17-25-41)66-53-52(67-55(58)56(8,9)10)51(62-35-44-30-22-15-23-31-44)48(60-33-42-26-18-13-19-27-42)46(64-53)37-63-69(38(2)3,39(4)5)40(6)7/h12-31,38-40,45-54,57H,11,32-37H2,1-10H3/t45-,46-,47-,48+,49-,50-,51+,52-,53+,54+/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@@H]([C@@H]([C@@H]([C@H]([C@@H]3OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)O)N=[N+]=[N-])OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C54H57N3O10/c55-57-56-45-49(62-33-40-23-11-3-12-24-40)48(61-32-39-21-9-2-10-22-39)44(37-60-31-38-19-7-1-8-20-38)66-54(45)67-51-47(59)46(58)50(63-34-41-25-13-4-14-26-41)52(64-35-42-27-15-5-16-28-42)53(51)65-36-43-29-17-6-18-30-43/h1-30,44-54,58-59H,31-37H2/t44-,45-,46+,47-,48-,49-,50+,51+,52-,53-,54+/m1/s1