TerraTox - HIV-1 structure file, May 2004. Copyright ... - TerraBase Inc.

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4196 C30H48O3 ursolic acid 4197 C30H48O3 oleanolic acid 4198 C30H48O3 3-deoxy-3-oxo-dihydrobetulinic acid 4199 C30H48O3 triterpene acid / hemi ester deriv.; T-4229-001 4200 C30H49NO2 triterpene acid / hemi ester deriv.; T-4229-005 C1(C)(C)[C@](O)([H])CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@]([H])(C)C C[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]12([H]) 77-52-1 C1(C)(C)[C@](O)([H])CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O) O)CC[C@@]4(C)[C@]3(C)CC[C@@]12([H]) 508-02-1 C1(C)(C)C(=O)CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@]([H])(C(C)C)CC[C @]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]12([H]) CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C @@]4(C)[C@]3(C)CC[C@@H]12 CC1(C)C(N)CC[C@]2(C)[C@H]3CC=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C) [C@]3(C)CC[C@@H]12 4201 C30H50N4O13SSi2 4202 C30H50O alpha-amyrin 4203 C30H50O beta-amyrin [1-[2',5'-bis(-O-(tert-butyldimethylsilyl)-beta-D- ribofuranosyl]-3-N-[[N-[1-(S),2-bis- (carboxy)ethyl]carbamoyl]methyl]thymine]-3'-spiro-5''- (4''-amino-1'',2''-oxathiole-2'',2''-dioxide) 4204 C30H50O2 betuline deriv.; T-4516-038 4205 C30H50O2 betuline deriv.; T-4516-006 4206 C30H50O2 Sophoradiol 4207 C30H50O3 dihydrobetulinic acid 4208 C30H50O3 betuline deriv.; T-4516-027 4209 C30H52N2 betuline deriv.; T-4516-032 [C@]12(OS(=O)(=O)C=C1N)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]([C@@H]2O[Si](C)(C )C(C)(C)C)N3C=C(C)C(=O)N(C3=O)CC(=O)N[C@H](CC(=O)O)C(=O)O C1(C)(C)[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[ C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]12([H]) 638-95-9 C1(C)(C)[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[ C@@]4(C)[C@]3(C)CC[C@@]12([H]) C1(C)(C)[C@@](O)([H])CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@]([H])(C(C) =C)CC[C@]5(CO)CC[C@@]4(C)[C@]3(C)CC[C@@]12([H]) C1(C)(C)[C@](O)([H])CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@]([H])(C(C)= C)CC[C@]5(CO)CC[C@@]4(C)[C@]3(C)CC[C@@]12([H]) CC1(C)[C@@H](O)CC[C@]2(C)C3CC=C4[C@H]5CC(C)(C)C[C@@H](O)[C@]5(C)CC[C@ @]4(C)[C@]3(C)CC[C@@H]12 6822-47-5 C1(C)(C)[C@](O)([H])CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@]([H])(C(C)C) CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]12([H]) 25488-53-3 C1(C)(C)[C@](O)([H])CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@]([H])(C(CO) =C)CC[C@]5(CO)CC[C@@]4(C)[C@]3(C)CC[C@@]12([H]) C1(C)(C)[C@@H](N)CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@]([H])(C(C)=C )CC[C@]5(CN)CC[C@@]4(C)[C@]3(C)CC[C@@]12([H]) 4210 C30H52N4O11SSi2 [1-[2',5'-bis(-O-(tert-butyldimethylsilyl)-beta-D- ribofuranosyl]-3-N-[[N-[1-(S)- (methoxycarbonyl)ethyl]carbamoyl]methyl]thymine]-3'- spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide) 4211 C30H52O2 dihydrobetuline deriv.; T-4516-014 4212 C30H58N2O8Si3 N-3-benzoyloxymethyl / N-3-carboxymethyl pyrimid-2,4- dione deriv.; T-4254-011 [C@]12(OS(=O)(=O)C=C1N)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]([C@@H]2O[Si](C)(C )C(C)(C)C)N3C=C(C)C(=O)N(C3=O)CC(=O)N[C@H](C)C(=O)OC C1(C)(C)[C@](O)([H])CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@]([H])(C(C)C) CC[C@]5(CO)CC[C@@]4(C)[C@]3(C)CC[C@@]12([H]) [C@@H]1(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C) C)O[C@H]1N2C=C(C)C(=O)N(CC(=O)O)C2=O 4213 C30H61O7P Foscarnet, 1-O-octadecylglycero deriv.; T-4656-006 OC(=O)P(O)(=O)OCC(OCCCCCCCC)COCCCCCCCCCCCCCCCCCC
4214 C31H20O6 3,3'-(4-phenylbezylidene)bis(4-hydroxycoumarin) c1cccc2OC(=O)C(=C(O)c12)C(C3=C(O)c4ccccc4OC3=O)c5ccc(cc5)c6ccccc6 4215 C31H24F3N5O4 K-38 c1ccccc1C2=CCN(CC2)c3c(F)cc4C(=O)C(C(=O)O)=CN(c5ccc(cc5)Cn6ncnc6)c4c3OC(F)F 4216 C31H30N2O5 cyclic urea/diaminosulfone deriv.; T-4269-012 c1ccccc1CN2C(=O)N(Cc3ccccc3)[C@@H](Oc4ccccc4)[C@@H](O)[C@H](O)[C@@H]2Oc 5ccccc5 4217 C31H30N2O5 cyclic urea/diaminosulfone deriv.; T-4269-013 c1ccccc1CN2C(=O)N(Cc3ccccc3)[C@@H](Oc4ccccc4)[C@H](O)[C@@H](O)[C@@H]2Oc 5ccccc5 4218 C31H30N2O5 cyclic urea/diaminosulfone deriv.; T-4269-014 c1ccccc1CN2C(=O)N(Cc3ccccc3)[C@H](Oc4ccccc4)[C@@H](O)[C@H](O)[C@H]2Oc5ccc cc5 4219 C31H30N2O5 cyclic urea/diaminosulfone deriv.; T-4269-011 c1ccccc1CN2C(=O)N(Cc3ccccc3)[C@H](Oc4ccccc4)[C@H](O)[C@@H](O)[C@H]2Oc5ccc cc5 4220 C31H31FN10NaO10P A15 F[C@H]1[C@H](n3cnc4c(ncnc34)NCc6cc7ccccc7cc6)O[C@H](CO)[C@H]1OP(=O)([O- ])OC[C@H]2O[C@@H](n5cnc6c(O)nc(N)nc56)[C@H](O)[C@@H]2O.[Na+] 4221 C31H31F3N2Na2O5S Tipranavir disodium c1ccccc1CC[C@]2(CCC)C=C([O-])C(=C([O- ])O2)[C@]([H])(CC)c3cccc(c3)NS(=O)(=O)c4ccc(C(F)(F)F)cn4.[Na+].[Na+] 191150-83-1 4222 C31H32N4O3 cyclic urea deriv.; T-4100-034 O[C@H]1[C@@H](Cc2ccccc2)N(Cc4ccccn4)C(=O)N(Cc5ccccn5)[C@H](Cc3ccccc3)[C@@ H]1O 4223 C31H32N4O3 cyclic urea deriv.; T-4100-035 O[C@H]1[C@@H](Cc2ccccc2)N(Cc4cccnc4)C(=O)N(Cc5cccnc5)[C@H](Cc3ccccc3)[C@@ H]1O 4224 C31H32N4O3 cyclic urea deriv.; T-4100-036 O[C@H]1[C@@H](Cc2ccccc2)N(Cc4ccncc4)C(=O)N(Cc4ccncc4)[C@H](Cc3ccccc3)[C@@ H]1O 4225 C31H33FN10NaO10P S A16 4226 C31H33F3N2O5S (R,S)-dihydropyrone derivative; 4069-201 Tipranavir; PNU-140690; (R,R)-dihydropyrone 4227 C31H33F3N2O5S derivative; 4069-202 4228 C31H33F3N2O5S (S,S)-dihydropyrone derivative; 4069-203 4229 C31H33F3N2O5S (S,R)-dihydropyrone derivative; 4069-204 4230 C31H33N3O5S (R,S)-dihydropyrone derivative; 4069-191 4231 C31H33N3O5S (R,R)-dihydropyrone derivative; 4069-192 4232 C31H33N3O5S (S,S)-dihydropyrone derivative; 4069-193 4233 C31H33N3O5S (S,R)-dihydropyrone derivative; 4069-194 F[C@H]1[C@H](n3cnc4c(ncnc34)N)O[C@H](CO)[C@H]1OP(=O)([S- ]O)OC[C@H]2O[C@@H](n5cnc6c(O)nc(NCc7cccc8ccccc78)nc56)[C@H](O)[C@@H]2O.[N a+] c1ccccc1CC[C@@]2(CCC)OC(=O)C(=C(O)C2)[C@@H](CC)c3cccc(c3)NS(=O)(=O)c4ncc( cc4)C(F)(F)F c1ccccc1CC[C@@]2(CCC)OC(=O)C(=C(O)C2)[C@H](CC)c3cccc(c3)NS(=O)(=O)c4ncc(cc 4)C(F)(F)F 174484-41-4 c1ccccc1CC[C@]2(CCC)OC(=O)C(=C(O)C2)[C@@H](CC)c3cccc(c3)NS(=O)(=O)c4ncc(cc 4)C(F)(F)F c1ccccc1CC[C@]2(CCC)OC(=O)C(=C(O)C2)[C@H](CC)c3cccc(c3)NS(=O)(=O)c4ncc(cc4) C(F)(F)F c1ccccc1CC[C@@]2(CCC)OC(=O)C(=C(O)C2)[C@@H](CC)c3cccc(c3)NS(=O)(=O)c4ncc( cc4)C#N c1ccccc1CC[C@@]2(CCC)OC(=O)C(=C(O)C2)[C@H](CC)c3cccc(c3)NS(=O)(=O)c4ncc(cc 4)C#N c1ccccc1CC[C@]2(CCC)OC(=O)C(=C(O)C2)[C@@H](CC)c3cccc(c3)NS(=O)(=O)c4ncc(cc 4)C#N c1ccccc1CC[C@]2(CCC)OC(=O)C(=C(O)C2)[C@H](CC)c3cccc(c3)NS(=O)(=O)c4ncc(cc4) C#N
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TerraTox - HIV-1 structure file, Ma
Page 3 and 4:
46 C8H9BrN2O5 47 C8H9BrN2O5 alpha-(
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109 C8H11N3O3S (-)-2'-deoxy-3'-oxa-
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156 C9H9F2N3O3 157 C9H9F2N3O3 158 C
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213 C9H10O4 214 C9H10O5 ethyl 3,4-d
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274 C9H13FN5O4P (2R/S)-6-amino-9-[2
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325 C10H9F2N5O2 9-(2',3'-dideoxy-2'
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376 C10H12FN5O2 2',3'-dideoxyadenos
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433 C10H14FN3O3 1-(2-fluoro-2,3-did
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484 C11H8ClNO2S2 thiazolothiazepine
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545 C11H14N2O4 HEPT analogue; T-398
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597 C12H8ClN5O2 5CITEP; 3-hydroxypr
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645 C12H11ClFN3OS phenethylthiazoly
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698 C12H14N2O3 pyridin-2-ol deriv.;
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749 C13H9BrN2OS 2-amino-6-arylsulfo
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794 C13H11ClN2O3S2 795 C13H11ClN2O3
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843 C13H13ClN2O4S N-(3-chloro-6-ami
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898 C13H15N3OS2 N-(thiazol-2-yl)hio
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951 C14H7F6NO2 Efavirenz analogue;
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1003 C14H9N3S 2-amino-6-arylsulfony
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1052 C14H11F4NO2 Efavirenz analogue
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1096 C14H12N2O3S 2-amino-6-arylsulf
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1142 C14H13N3O 5,11-dihydro-6H-pyri
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1190 C14H15ClN2O2S 1191 C14H15ClN2O
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1243 C14H16N2O3S HEPT derivative; T
Page 51 and 52:
1297 C14H17N3OS 2-(sec-butoxy)-4-am
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1350 C15H8Cl2O3 3-hydroxyflavone, 3
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1406 C15H11F3N2O2S 2-amino-6-arylsu
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1459 C15H12O4 1,3-di(4-hydroxy-3-me
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1510 C15H14FN3O 1511 C15H14FN3O 151
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1558 C15H15N3O 5,11-dihydro-6H-pyri
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1614 C15H16N4O dipyridodiazepinone
Page 65 and 66:
1673 C15H18N2O2S 2-(4-methylphenylt
Page 67 and 68:
1733 C15H19N3O2 pyrid-2-ol deriv.;
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1786 C16H6O8S 3,4-dicarboxylic acid
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1827 C16H13ClF3N3O 6,11-dihydro-5H-
Page 73 and 74:
1884 C16H15F3N2O3 Efavirenz analogu
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1939 C16H16N2O4S NSC 667948 c1c([H]
Page 77 and 78:
1991 C16H18Cl2N2OS pyrimidin-4-ol d
Page 79 and 80:
2054 C16H19N3O3S pyrimidin-4-ol der
Page 81 and 82:
2117 C16H20N2O4 2118 C16H20N2O4S OC
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2180 C16H24N6O5 2181 C16H26N2O5Si 2
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2231 C17H15ClN2O4S indolyl aryl sul
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2294 C17H17N2O7P 7-methyl-cyclo-sal
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2350 C17H19ClF2N4S phenethylthiazol
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2405 C17H20N2O3 N-benzyl-6,7-dihydr
Page 93 and 94:
2472 C17H23N3O TIBO deriv.; T-4175-
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2529 C18H14N2O3S2 1H-thieno[2,3-c][
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2587 C18H18N2O2 pyridin-2-ol deriv.
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threo-2,3-di(3,4-dihydroxybenzyl)su
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2702 C18H24ClN3S R86162 c1c(Cl)cc2N
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2756 C18H31N3O8SSi 2757 C18H31N3O8S
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2803 C19H18BrN5OS N-[2-(6,7-dihydro
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2855 C19H20N5O5P 3-methyl-cyclo-sal
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2908 C19H24O9 chromene glucuside Cc
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2966 C20H17N2O7P benzo[c]-cyclo-sal
Page 113 and 114: 3026 C20H21N3O TIBO deriv.; T-4169-
Page 115 and 116: 3075 C20H24N4O2 6,11-dihydro-5H-pyr
Page 117 and 118: 3126 C21H14F4N2 1,2-diphenylbenzimi
Page 119 and 120: 3190 C21H20Br2O6 alkenyldiarylmetha
Page 121 and 122: 3248 C21H23N3O2 bis(heteroaryl)pipe
Page 123 and 124: 3291 C21H29ClN4O2 bis(heteroaryl)pi
Page 125 and 126: 3343 C22H20ClN5O2 diazepinone deriv
Page 127 and 128: 3402 C22H26O5 (+)-cathonolide A O[C
Page 129 and 130: 3446 C22H31NO5 3449 C22H33NO4 estra
Page 131 and 132: 3499 C23H22N2O6S2 1H-thieno[2,3-c][
Page 133 and 134: 3538 C23H28O5 10,11-cis-10,11-dihyd
Page 135 and 136: 3585 C24H24O12 1,4,8-trihydroxynaph
Page 137 and 138: 3630 C24H42IN3O8SSi2 TSAO deriv.; T
Page 139 and 140: 3674 C25H24O12 (-)-3,5-dicaffeoyl-m
Page 141 and 142: 3721 C25H34N10NaO9PS B1 C1[C@H](n3c
Page 143 and 144: 3767 C26H26O12 methyl 3,5-dicaffeoy
Page 145 and 146: 3812 C26H34O5S 4-hydroxy-5,6-dihydr
Page 147 and 148: 3859 C27H25N3O2 cyclic urea deriv.;
Page 149 and 150: 3900 C27H34BrN3O3 1'-(2-hydroxy-6-m
Page 151 and 152: 3939 C27H36N2O5S2 4-hydroxy-5,6-dih
Page 153 and 154: 3981 C28H31N5O2 1-[(6-benzyloxy-1H-
Page 155 and 156: 4017 C28H36ClN3O6 2-methyl-3-hydrox
Page 157 and 158: 4057 C28H40N8O3S piperidine deriv.;
Page 159 and 160: 4097 C29H37F3N4O4 4098 C29H37NO8 4-
Page 161 and 162: 4136 C29H50N4O11SSi2 4137 C29H51N5O
Page 163: 4175 C30H41N3O2 5-oxopyrrolidine-3-
Page 167 and 168: 4255 C31H39N5O7 4256 C31H39N5O8 1-[
Page 169 and 170: N-3-benzoyloxymethyl / N-3-carboxym
Page 171 and 172: 4332 C32H37IN2O TAK-779 derivative;
Page 173 and 174: 4374 C32H44O8 cucurbitacin E CC1(C)
Page 175 and 176: 4411 C33H22O8 3,3'-(4-stilbenomethy
Page 177 and 178: 4452 C33H37Cl2N3O2 5-oxopyrrolidine
Page 179 and 180: 4491 C33H40N2O7 N-(2(R)-hydroxy-1(S
Page 181 and 182: 4528 C33H53NO4 betulinic acid deriv
Page 183 and 184: 4569 C34H40ClN3O5 2-methyl-3-hydrox
Page 185 and 186: 4609 C34H51N5O8 hydroxyethylhydrazi
Page 189 and 190: 4685 C35H46O9 phorbol deriv.; T-422
Page 191 and 192: 4723 C36H38N2O6S cyclic sulfondiami
Page 193 and 194: 4761 C36H55NO6 triterpene acid / he
Page 197 and 198: 4837 C37H58O6 3-(3,3-dimethyl-1,5-p
Page 199 and 200: 4873 C38H47N5O7S tripeptide deriv.;
Page 201 and 202: 4909 C38H63NO4 betulinic acid deriv
Page 203 and 204: 4942 C39H53N7O7 hydroxyethylhydrazi
Page 205 and 206: 4977 C40H53N5O8 meta-/paracyclophan
Page 209 and 210: 5043 C42H52N6O8 L-mannaric acid dia
Page 211 and 212: 5075 C43H61N5O8 HIV protease inhibi
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5138 C47H46N6O5 SB-570 5139 C47H46N
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5168 C48H82N2O5 betulinic acid deri
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5196 C55H81N5O14 Indinavir-PEG350(8
show all

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