smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)C1CCCCCC1 ZINC000908746790 939309497 /nfs/dbraw/zinc/30/94/97/939309497.db2.gz FAPJAVAKWQZDSM-FUHWJXTLSA-N -1 1 377.485 3.139 10 0 GGAEMM CC1(C)CCC[C@@](NC(=O)NC[C@H](c2ccco2)N2CCCC2)(C(=O)[O-])C1 ZINC000908747462 939309625 /nfs/dbraw/zinc/30/96/25/939309625.db2.gz MGZGDCZGGNHECB-QRWLVFNGSA-N -1 1 377.485 3.139 10 0 GGAEMM CN(C)[C@H](CNC(=O)N[C@@H](C(=O)[O-])C1CCCCCC1)c1cccc(F)c1 ZINC000908750870 939311682 /nfs/dbraw/zinc/31/16/82/939311682.db2.gz FCQRGJHGJZEXAY-QZTJIDSGSA-N -1 1 379.476 3.151 10 0 GGAEMM CN(C)[C@@H](CNC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccc(F)cc1 ZINC000908812398 939325410 /nfs/dbraw/zinc/32/54/10/939325410.db2.gz FQGTYODWHAGDRO-JXFKEZNVSA-N -1 1 379.476 3.151 10 0 GGAEMM CN(C)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])C1CCCCCC1)c1ccc(F)cc1 ZINC000908817372 939327536 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376.459 3.124 10 0 GGAEMM Cc1sc2nc(-c3cccc(NC(=O)Cn4ccnc4)c3)[n-]c(=O)c2c1C ZINC000010809628 204339200 /nfs/dbraw/zinc/33/92/00/204339200.db2.gz XXAFFNCADMTEGE-UHFFFAOYSA-N -1 1 379.445 3.104 10 0 GGAEMM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2F)c(C)n1C ZINC000009684984 204319530 /nfs/dbraw/zinc/31/95/30/204319530.db2.gz XCVFHMINOMIYRI-UHFFFAOYSA-N -1 1 393.484 3.208 10 0 GGAEMM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1C(=O)N1CCCC1 ZINC000009684270 204319660 /nfs/dbraw/zinc/31/96/60/204319660.db2.gz CUYLKXLDNRDWRO-UHFFFAOYSA-N -1 1 399.875 3.461 10 0 GGAEMM O=C(O[C@H]1CCCCC1=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000010094602 204330367 /nfs/dbraw/zinc/33/03/67/204330367.db2.gz PITBBXVLDDJOPA-SFHVURJKSA-N -1 1 391.420 3.295 10 0 GGAEMM O=C(NCC1(c2ccccc2)CC1)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000011750292 204351576 /nfs/dbraw/zinc/35/15/76/204351576.db2.gz ACRVZXQKSIAQIO-ATVHPVEESA-N -1 1 378.453 3.472 10 0 GGAEMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCCC2=O)cc1 ZINC000012202419 204381903 /nfs/dbraw/zinc/38/19/03/204381903.db2.gz AIMIGDYQEYQDER-UHFFFAOYSA-N -1 1 392.864 3.493 10 0 GGAEMM Cc1ccccc1[N-]S(=O)(=O)c1cc(N2CCCCS2(=O)=O)ccc1C ZINC000012209028 204384543 /nfs/dbraw/zinc/38/45/43/204384543.db2.gz WHKDUPLMFVDEJM-UHFFFAOYSA-N -1 1 394.518 3.034 10 0 GGAEMM Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000015669277 204568777 /nfs/dbraw/zinc/56/87/77/204568777.db2.gz NEFMMADHRFEVDE-UHFFFAOYSA-N -1 1 375.837 3.200 10 0 GGAEMM Cc1nc(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)[n-]c(=O)c1CCO ZINC000024747102 204823937 /nfs/dbraw/zinc/82/39/37/204823937.db2.gz OFVKGFVYOIRXSD-SFHVURJKSA-N -1 1 395.484 3.085 10 0 GGAEMM Cn1c(C(N)=O)cc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000036007840 205000902 /nfs/dbraw/zinc/00/09/02/205000902.db2.gz OFYSMRDKSZPJNE-UHFFFAOYSA-N -1 1 385.489 3.376 10 0 GGAEMM Cc1c(S(=O)(=O)[N-]c2ccccc2C)cc(C(=O)N2CCCCC2)n1C ZINC000064922232 205201169 /nfs/dbraw/zinc/20/11/69/205201169.db2.gz YFPAHRHNPLCMEO-UHFFFAOYSA-N -1 1 375.494 3.069 10 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COc1cc(NS(=O)(=O)c2cccc(Cl)c2[O-])c(OC)c(C)c1OC ZINC000451044774 450601274 /nfs/dbraw/zinc/60/12/74/450601274.db2.gz KNVKTEVLXJRNQX-UHFFFAOYSA-N -1 1 387.841 3.181 10 0 GGAEMM Cc1ccc2c([O-])c(C(=O)NC[C@H](O)c3ccc(Cl)cc3Cl)cnc2n1 ZINC000303441648 534401282 /nfs/dbraw/zinc/40/12/82/534401282.db2.gz FWAQKDPMFCEDFF-HNNXBMFYSA-N -1 1 392.242 3.414 10 0 GGAEMM Cc1ccc2c(=O)c(C(=O)NC[C@H](O)c3ccc(Cl)cc3Cl)c[n-]c2n1 ZINC000303441648 534401293 /nfs/dbraw/zinc/40/12/93/534401293.db2.gz FWAQKDPMFCEDFF-HNNXBMFYSA-N -1 1 392.242 3.414 10 0 GGAEMM Cc1ccc(-n2nnc(CN3CCC[C@H](C(=O)[O-])C3)c2-c2ccncc2)cc1F ZINC000057345472 525934375 /nfs/dbraw/zinc/93/43/75/525934375.db2.gz NLTWIGBDXWVWCZ-INIZCTEOSA-N -1 1 395.438 3.073 10 0 GGAEMM Cc1nnc2ccc(-c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4)c3)nn12 ZINC000033269719 526411206 /nfs/dbraw/zinc/41/12/06/526411206.db2.gz LYICWQHUFZUGMK-UHFFFAOYSA-N -1 1 379.445 3.209 10 0 GGAEMM C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000187321237 565322506 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C[C@@H]1CSc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cc2NC1=O ZINC000015731120 564290066 /nfs/dbraw/zinc/29/00/66/564290066.db2.gz PHOZDFKLFCYXTM-SECBINFHSA-N -1 1 384.429 3.446 10 0 GGAEMM CSCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000023190424 564323278 /nfs/dbraw/zinc/32/32/78/564323278.db2.gz REYBUMXZYVWRCX-UHFFFAOYSA-N -1 1 386.882 3.148 10 0 GGAEMM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)N[C@H](C)C1CC1 ZINC000025772357 564341708 /nfs/dbraw/zinc/34/17/08/564341708.db2.gz FQKKLWPTCLHUED-QMTHXVAHSA-N -1 1 393.336 3.211 10 0 GGAEMM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)N[C@@H](C)C1CC1 ZINC000025772355 564341944 /nfs/dbraw/zinc/34/19/44/564341944.db2.gz FQKKLWPTCLHUED-HZMBPMFUSA-N -1 1 393.336 3.211 10 0 GGAEMM O=C(NCc1ccc(Cn2ccnc2)cc1)c1cc(Br)ccc1[O-] ZINC000028695014 564363479 /nfs/dbraw/zinc/36/34/79/564363479.db2.gz MBWXJIREJKOKJT-UHFFFAOYSA-N -1 1 386.249 3.330 10 0 GGAEMM C[C@@H](NC(=O)c1cc(Br)ccc1[O-])c1ccc(-n2cncn2)cc1 ZINC000028817623 564365194 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567434634 /nfs/dbraw/zinc/43/46/34/567434634.db2.gz CQHDRBIDUVNNPN-UHFFFAOYSA-N -1 1 380.242 3.302 10 0 GGAEMM COc1cc(Br)ccc1[C@H](C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436597274 567436411 /nfs/dbraw/zinc/43/64/11/567436411.db2.gz UONPLNXFZKROGG-JTQLQIEISA-N -1 1 378.222 3.223 10 0 GGAEMM COc1ccccc1N1CC[C@@H](NC(=O)c2ccc(Br)cc2[O-])C1 ZINC000436587227 567436867 /nfs/dbraw/zinc/43/68/67/567436867.db2.gz OTHCHCNXFQVCJA-CYBMUJFWSA-N -1 1 391.265 3.172 10 0 GGAEMM COc1ccc(OC)c(CCNC(=O)c2cc(Br)ccc2[O-])c1 ZINC000436662928 567441701 /nfs/dbraw/zinc/44/17/01/567441701.db2.gz FEBCPLDVMXXFJZ-UHFFFAOYSA-N -1 1 380.238 3.144 10 0 GGAEMM C[C@@H](NC(=O)c1cc(I)ccc1[O-])c1cncc(F)c1 ZINC000436715426 567445689 /nfs/dbraw/zinc/44/56/89/567445689.db2.gz LARISMLURZGVOR-MRVPVSSYSA-N -1 1 386.164 3.022 10 0 GGAEMM COc1cc(OC)c(S(=O)(=O)[N-]c2cccc(F)c2Cl)c(OC)c1 ZINC000569959787 567446409 /nfs/dbraw/zinc/44/64/09/567446409.db2.gz LTYYPSBRGPEHLF-UHFFFAOYSA-N -1 1 375.805 3.306 10 0 GGAEMM 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CCCCN(C)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)ccc1C ZINC000064843598 222085287 /nfs/dbraw/zinc/08/52/87/222085287.db2.gz XHOPHAQSODNMHU-UHFFFAOYSA-N -1 1 391.493 3.434 10 0 GGAEMM O=C([O-])c1cnc(N2CCCCCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000064843773 222085378 /nfs/dbraw/zinc/08/53/78/222085378.db2.gz TVYNZZRLZCHGCP-UHFFFAOYSA-N -1 1 393.440 3.100 10 0 GGAEMM Cc1c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc(C(=O)N2CCCCC2)n1C ZINC000064922241 222087714 /nfs/dbraw/zinc/08/77/14/222087714.db2.gz IPBCZZGERFKWBD-UHFFFAOYSA-N -1 1 389.521 3.377 10 0 GGAEMM Cc1c(S(=O)(=O)[N-]c2cc(C)ccc2C)cc(C(=O)N2CCCCC2)n1C ZINC000064922237 222088143 /nfs/dbraw/zinc/08/81/43/222088143.db2.gz RGSSQNAPKQSCQO-UHFFFAOYSA-N -1 1 389.521 3.377 10 0 GGAEMM CCN(CC)c1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)n(C)c2C)c(C)c1 ZINC000064923126 222088400 /nfs/dbraw/zinc/08/84/00/222088400.db2.gz GFSLZOHTQAIYTM-UHFFFAOYSA-N -1 1 393.509 3.076 10 0 GGAEMM CCCC(=O)Nc1cccc(CNC(=O)c2cnc3nc(C)ccc3c2[O-])c1 ZINC000071960981 222200802 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O=C(CCc1ccccc1Br)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135549212 1424829752 /nfs/dbraw/zinc/82/97/52/1424829752.db2.gz RESABUDHHRIBFA-UHFFFAOYSA-N -1 1 386.253 3.124 10 0 GGAEMM C[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1nccs1 ZINC000162487197 1424857981 /nfs/dbraw/zinc/85/79/81/1424857981.db2.gz DFMOPOKITRRJLD-LURJTMIESA-N -1 1 383.239 3.223 10 0 GGAEMM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(F)c(F)cc1Br ZINC000162628140 1424894805 /nfs/dbraw/zinc/89/48/05/1424894805.db2.gz HQTBTRPFXPXGBL-UHFFFAOYSA-N -1 1 394.179 3.084 10 0 GGAEMM O=C(Nc1cccc(C[S@](=O)C2CCOCC2)c1)c1ccc([O-])cc1F ZINC000163690340 1425034731 /nfs/dbraw/zinc/03/47/31/1425034731.db2.gz BZBHYGSJNBHVJX-AREMUKBSSA-N -1 1 377.437 3.211 10 0 GGAEMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)CCc1nnn[n-]1 ZINC001144544321 1425106193 /nfs/dbraw/zinc/10/61/93/1425106193.db2.gz RWDVGKKYHWHQEJ-RKVPGOIHSA-N -1 1 399.495 3.389 10 0 GGAEMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncc(F)cc1Br ZINC000169876078 1425260391 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CC1CCC(OC2CCN(C(=O)c3cccc(Nc4nn[n-]n4)c3)CC2)CC1 ZINC000900629624 1425807358 /nfs/dbraw/zinc/80/73/58/1425807358.db2.gz LGMBTJDZVODLGD-UHFFFAOYSA-N -1 1 384.484 3.143 10 0 GGAEMM Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000879263089 1426155533 /nfs/dbraw/zinc/15/55/33/1426155533.db2.gz KUBWIHDSIRUKEG-GFCCVEGCSA-N -1 1 386.456 3.099 10 0 GGAEMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(-n2cccn2)cc1 ZINC000173230672 1426416190 /nfs/dbraw/zinc/41/61/90/1426416190.db2.gz DWKZJMYEMWHWAE-NSHDSACASA-N -1 1 381.379 3.329 10 0 GGAEMM Cc1cc(C(=O)N2CCC(Cc3nnn[n-]3)CC2)c(C)n1[C@H](C)c1ccccc1 ZINC001123982726 1426790058 /nfs/dbraw/zinc/79/00/58/1426790058.db2.gz GEDGUXHZYCQIEA-MRXNPFEDSA-N -1 1 392.507 3.322 10 0 GGAEMM CCOC(=O)[C@@H](NC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1)[C@@H](C)CC ZINC000173897254 1426884015 /nfs/dbraw/zinc/88/40/15/1426884015.db2.gz BGRZATRQMVOVOE-BBRMVZONSA-N -1 1 390.509 3.010 10 0 GGAEMM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000684752292 1426935824 /nfs/dbraw/zinc/93/58/24/1426935824.db2.gz ZXKOBYZPQNJSLQ-KRTOXCLKSA-N -1 1 385.830 3.248 10 0 GGAEMM Cc1ccc(NC(=O)c2cccc(Nc3nn[n-]n3)c2)cc1NC(=O)C(C)(C)C ZINC001136756001 1427312020 /nfs/dbraw/zinc/31/20/20/1427312020.db2.gz PPWRCHQBCZSTNO-UHFFFAOYSA-N -1 1 393.451 3.489 10 0 GGAEMM CC(=Cc1ccc(F)cc1)C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000769657341 1429840270 /nfs/dbraw/zinc/84/02/70/1429840270.db2.gz RQWSWROUSJELPF-XAVKZTDYSA-N -1 1 389.793 3.440 10 0 GGAEMM CSCC[C@H](NC(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F)c1nnn[n-]1 ZINC000912863205 1429874480 /nfs/dbraw/zinc/87/44/80/1429874480.db2.gz ORHLBCIOKPWSTH-OSMZGAPFSA-N -1 1 383.880 3.096 10 0 GGAEMM COc1ccc([N-]S(=O)(=O)c2cccc(C)c2F)c(Br)n1 ZINC000180520119 1429888238 /nfs/dbraw/zinc/88/82/38/1429888238.db2.gz BUFYSSMRTASWPW-UHFFFAOYSA-N -1 1 375.219 3.101 10 0 GGAEMM O=S(=O)([N-]Cc1ccc(Cl)cn1)c1cc(Br)cnc1Cl ZINC000180598983 1429923639 /nfs/dbraw/zinc/92/36/39/1429923639.db2.gz JOLOYLDYNVESIJ-UHFFFAOYSA-N -1 1 397.081 3.024 10 0 GGAEMM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183419658 1430706863 /nfs/dbraw/zinc/70/68/63/1430706863.db2.gz NFXMHALWFNAINE-SSDOTTSWSA-N -1 1 384.387 3.012 10 0 GGAEMM C[C@@H]1CN(Cc2cc(Br)cc(Br)c2[O-])CC[C@@H]1O ZINC000190048171 1432310625 /nfs/dbraw/zinc/31/06/25/1432310625.db2.gz AFBOSVYGJYLEJA-PELKAZGASA-N -1 1 379.092 3.120 10 0 GGAEMM Cc1nc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000190995841 1432546016 /nfs/dbraw/zinc/54/60/16/1432546016.db2.gz ARWICGZNLDBXOU-UHFFFAOYSA-N -1 1 375.494 3.151 10 0 GGAEMM N#CCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000193362272 1432985730 /nfs/dbraw/zinc/98/57/30/1432985730.db2.gz XDZAXTZZCGKESZ-UHFFFAOYSA-N -1 1 395.234 3.014 10 0 GGAEMM O=S(=O)([N-]c1cc(Br)cnc1Cl)c1ccc(Cl)nc1 ZINC000236056753 1433374068 /nfs/dbraw/zinc/37/40/68/1433374068.db2.gz BJTSJUDGQLPFQU-UHFFFAOYSA-N -1 1 383.054 3.347 10 0 GGAEMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1 ZINC000270010808 1434693331 /nfs/dbraw/zinc/69/33/31/1434693331.db2.gz AGEFFPWLUCMICU-WOJBJXKFSA-N -1 1 384.432 3.285 10 0 GGAEMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000270016650 1434693675 /nfs/dbraw/zinc/69/36/75/1434693675.db2.gz CPBJVUZBYZQDPD-HUUCEWRRSA-N -1 1 397.475 3.212 10 0 GGAEMM CC(=O)Nc1ccc([O-])c(-c2nc(C[C@@H](C)N(C)C(=O)OC(C)(C)C)no2)c1 ZINC000273383282 1434985132 /nfs/dbraw/zinc/98/51/32/1434985132.db2.gz GEWHRDSKLJGFNS-LLVKDONJSA-N -1 1 390.440 3.199 10 0 GGAEMM COc1ccc(CN[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000277209694 1435278609 /nfs/dbraw/zinc/27/86/09/1435278609.db2.gz HCHYXYXHSJIJRU-MRXNPFEDSA-N -1 1 375.421 3.027 10 0 GGAEMM O=C(CCc1nnn[n-]1)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1 ZINC001150414305 1441733672 /nfs/dbraw/zinc/73/36/72/1441733672.db2.gz LKRRLZYAIGGYOS-UHFFFAOYSA-N -1 1 390.369 3.402 10 0 GGAEMM C[C@H](CN(C)C(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1)c1nnn[n-]1 ZINC000773999888 1442127438 /nfs/dbraw/zinc/12/74/38/1442127438.db2.gz WZMRGJJYERALKX-CQSZACIVSA-N 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O=C(N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000671796672 1446192167 /nfs/dbraw/zinc/19/21/67/1446192167.db2.gz DYSPWGWCGVEQPH-HOTUBEGUSA-N -1 1 391.756 3.176 10 0 GGAEMM O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1cccc(Nc2nn[n-]n2)c1 ZINC001140088683 1446908927 /nfs/dbraw/zinc/90/89/27/1446908927.db2.gz GSKGKCDWOFGGRA-CYBMUJFWSA-N -1 1 380.305 3.116 10 0 GGAEMM CC[C@H](NC(=O)c1cccc(Nc2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC001141540317 1447145183 /nfs/dbraw/zinc/14/51/83/1447145183.db2.gz JJIMACRPLOGXMY-AWEZNQCLSA-N -1 1 388.378 3.426 10 0 GGAEMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1coc2cc(F)ccc12 ZINC000684478894 1447194546 /nfs/dbraw/zinc/19/45/46/1447194546.db2.gz KJHKJLYKCYXXIO-OAHLLOKOSA-N -1 1 389.749 3.397 10 0 GGAEMM CN(C(=O)c1cccc(Nc2nn[n-]n2)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000907363464 1449254631 /nfs/dbraw/zinc/25/46/31/1449254631.db2.gz PNRPFMLVSQZNGO-ZWKOTPCHSA-N -1 1 396.426 3.075 10 0 GGAEMM COc1ccc(C2(NC(=O)c3cccc(Nc4nn[n-]n4)c3)CCCC2)cc1 ZINC001142825127 1449318651 /nfs/dbraw/zinc/31/86/51/1449318651.db2.gz YHJSTUBJLWGVCF-UHFFFAOYSA-N -1 1 378.436 3.151 10 0 GGAEMM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1cccc(F)c1OC(F)(F)F ZINC001129733662 1449531575 /nfs/dbraw/zinc/53/15/75/1449531575.db2.gz VKWASNZUSKUHCB-UHFFFAOYSA-N -1 1 385.252 3.296 10 0 GGAEMM Cc1ccc(C)c(OC2CCN(C(=O)c3cccc(Nc4nn[n-]n4)c3)CC2)c1 ZINC000900350779 1449551484 /nfs/dbraw/zinc/55/14/84/1449551484.db2.gz OKFQZODMSPFQQH-UHFFFAOYSA-N -1 1 392.463 3.244 10 0 GGAEMM C[C@@H](CC(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1)c1cccc(C(F)(F)F)c1 ZINC001123915413 1449555044 /nfs/dbraw/zinc/55/50/44/1449555044.db2.gz VOFTUONDLXLERZ-STQMWFEESA-N -1 1 381.402 3.193 10 0 GGAEMM CC(C)(C)c1ccc(C(=O)Nc2ccc(OC(=O)CCc3nnn[n-]3)cc2)cc1 ZINC001135676762 1449656813 /nfs/dbraw/zinc/65/68/13/1449656813.db2.gz GNWWIXCRMBUDEH-UHFFFAOYSA-N -1 1 393.447 3.288 10 0 GGAEMM C[C@@H](CN(C)C(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1)c1nnn[n-]1 ZINC000773999887 1449694060 /nfs/dbraw/zinc/69/40/60/1449694060.db2.gz 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