smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNc1ccccc1NCCN1CCN(S(C)(=O)=O)CC1 ZINC001169344735 760654575 /nfs/dbraw/zinc/65/45/75/760654575.db2.gz HRITUXOQEKZFPM-UHFFFAOYSA-N 0 0 312.439 0.717 20 10 DCCDRN O=C(N[C@@H]1NC(=O)c2ccccc21)c1cc(O)c(O)c(O)c1 ZINC001148590158 768021725 /nfs/dbraw/zinc/02/17/25/768021725.db2.gz XYLFZGRMQLFIJV-CYBMUJFWSA-N 0 0 300.270 0.975 20 10 DCCDRN COC[C@@H](CNC(=O)C(=O)N(C)Cc1ccccc1O)OC ZINC001117637299 766115249 /nfs/dbraw/zinc/11/52/49/766115249.db2.gz YPNCNBKXZAUHSS-GFCCVEGCSA-N 0 0 310.350 0.128 20 10 DCCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](O)C1CC1 ZINC001118754341 766424978 /nfs/dbraw/zinc/42/49/78/766424978.db2.gz HGYXSMNUFBNOOQ-FZMZJTMJSA-N 0 0 323.345 0.459 20 10 DCCDRN CCn1ncc(CNC(=O)C(=O)N(C)Cc2ccccc2O)n1 ZINC001118821475 766441636 /nfs/dbraw/zinc/44/16/36/766441636.db2.gz ZGVYHWVWSXWTOJ-UHFFFAOYSA-N 0 0 317.349 0.278 20 10 DCCDRN COc1ccc(C[NH2+][C@H](CO)C(=O)[O-])cc1Cn1cccn1 ZINC001119549519 766724408 /nfs/dbraw/zinc/72/44/08/766724408.db2.gz LDBQFGQUWVFHAV-CYBMUJFWSA-N 0 0 305.334 0.475 20 10 DCCDRN COC(=O)CC[C@H]1COCCN1Cc1c(O)cc(O)cc1O ZINC001144520463 766963804 /nfs/dbraw/zinc/96/38/04/766963804.db2.gz RTSGAKNONLQERK-JTQLQIEISA-N 0 0 311.334 0.957 20 10 DCCDRN O=C(CN1C(=O)CSC1=S)NCC1(c2cnccn2)CC1 ZINC001144853312 767068728 /nfs/dbraw/zinc/06/87/28/767068728.db2.gz VXRHQJRWPUFTND-UHFFFAOYSA-N 0 0 322.415 0.485 20 10 DCCDRN C[C@@H]1CO[C@@H]2CN(C(=O)CN3C(=O)CSC3=S)C[C@H]12 ZINC001144843727 767071165 /nfs/dbraw/zinc/07/11/65/767071165.db2.gz HKWQFZBPXBIOBB-IWSPIJDZSA-N 0 0 300.405 0.340 20 10 DCCDRN Nc1ccc(CNC(=O)N(CCO)CCN2CCOCC2)cc1 ZINC001120676778 767133733 /nfs/dbraw/zinc/13/37/33/767133733.db2.gz CCZHQYFMKDFIBK-UHFFFAOYSA-N 0 0 322.409 0.105 20 10 DCCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)Cc1cncs1 ZINC001149832944 768873599 /nfs/dbraw/zinc/87/35/99/768873599.db2.gz MPRWFRPIFXDVKS-SNVBAGLBSA-N 0 0 308.359 0.817 20 10 DCCDRN Oc1cnc(N2CCN(Cc3cc(O)c(O)c(O)c3)CC2)nc1 ZINC001233015137 769344578 /nfs/dbraw/zinc/34/45/78/769344578.db2.gz HLISZQZSWYSLFP-UHFFFAOYSA-N 0 0 318.333 0.621 20 10 DCCDRN COC[C@H]1CN(Cc2cc(O)c(O)cc2O)Cc2nnn(C)c21 ZINC001233483700 769368163 /nfs/dbraw/zinc/36/81/63/769368163.db2.gz IRLUVGWAZWEMRW-SNVBAGLBSA-N 0 0 320.349 0.678 20 10 DCCDRN O=C(CCN1C(=O)CCNC1=S)NCc1cc(O)ccc1O ZINC001153884630 769982388 /nfs/dbraw/zinc/98/23/88/769982388.db2.gz DKJDWCOAJAIOSA-UHFFFAOYSA-N 0 0 323.374 0.211 20 10 DCCDRN COC(=O)[C@H]1CN(C)CCN1Cc1cc(OC)cc(OC)c1O ZINC001237684933 770072853 /nfs/dbraw/zinc/07/28/53/770072853.db2.gz UEDCVLDRFLMJQP-CYBMUJFWSA-N 0 0 324.377 0.698 20 10 DCCDRN O=C(CSc1nnnn1C1CC1)NCc1cc(O)ccc1O ZINC001176747808 770160977 /nfs/dbraw/zinc/16/09/77/770160977.db2.gz BMAWAYLRLAXOFL-UHFFFAOYSA-N 0 0 321.362 0.828 20 10 DCCDRN CN(CC(C)(C)S(C)(=O)=O)C(=O)Cc1ccc(O)c(O)c1 ZINC001176884874 770209205 /nfs/dbraw/zinc/20/92/05/770209205.db2.gz HUZMXUYZLNKPDO-UHFFFAOYSA-N 0 0 315.391 0.922 20 10 DCCDRN Nc1cnc(NC(=O)c2cc3cc(O)c(O)cc3oc2=O)cn1 ZINC001155222753 770438110 /nfs/dbraw/zinc/43/81/10/770438110.db2.gz UWUQCLRAMAWBBH-UHFFFAOYSA-N 0 0 314.257 0.829 20 10 DCCDRN O=C(NC1=CCOC1=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155234876 770445361 /nfs/dbraw/zinc/44/53/61/770445361.db2.gz BOHPOOKFKNCNED-UHFFFAOYSA-N 0 0 303.226 0.375 20 10 DCCDRN COC(C)(CNC(=O)c1cc2cc(O)c(O)cc2oc1=O)OC ZINC001155234726 770445586 /nfs/dbraw/zinc/44/55/86/770445586.db2.gz UDXYMPHNYFOBMZ-UHFFFAOYSA-N 0 0 323.301 0.943 20 10 DCCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(CO)(CO)C1 ZINC001177503320 770475978 /nfs/dbraw/zinc/47/59/78/770475978.db2.gz OHJMAOXBOMJORG-UHFFFAOYSA-N 0 0 309.343 0.739 20 10 DCCDRN CN(Cc1nnc2c(=O)n(C)ccn12)C(=O)C1=CC(=O)CS1 ZINC001177866868 770555887 /nfs/dbraw/zinc/55/58/87/770555887.db2.gz RHSITDGSAFSBHN-UHFFFAOYSA-N 0 0 319.346 0.467 20 10 DCCDRN CCOC(=O)C(C)(C)C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001181056745 771222566 /nfs/dbraw/zinc/22/25/66/771222566.db2.gz OUDSFVGDGKXKNQ-UHFFFAOYSA-N 0 0 309.318 0.986 20 10 DCCDRN C[C@]1(CO)CN(C(=O)CCc2ccc(O)c(O)c2)CC[C@@H]1O ZINC001182155470 771422114 /nfs/dbraw/zinc/42/21/14/771422114.db2.gz XUNYFRGOJWSQGQ-GOEBONIOSA-N 0 0 309.362 0.622 20 10 DCCDRN COC(=O)c1ccnc(NCC(=O)c2ccc(O)c(O)c2)n1 ZINC001159277692 771889320 /nfs/dbraw/zinc/88/93/20/771889320.db2.gz VEMBFNZINLKHGU-UHFFFAOYSA-N 0 0 303.274 0.969 20 10 DCCDRN Cc1nn(C)c(C(=O)NCC(=O)c2ccc(O)c(O)c2)c1F ZINC001185404156 771915687 /nfs/dbraw/zinc/91/56/87/771915687.db2.gz QJNOKBBVMDBDNS-UHFFFAOYSA-N 0 0 307.281 0.892 20 10 DCCDRN CCOC(=O)c1nnc2n1CCN(Cc1ccc(O)cc1O)C2 ZINC001204274759 772943658 /nfs/dbraw/zinc/94/36/58/772943658.db2.gz INXMMZWFPZFWDF-UHFFFAOYSA-N 0 0 318.333 0.882 20 10 DCCDRN CNC(=O)NC1CCN(C(=O)c2cc(O)c(O)c(OC)c2)CC1 ZINC001193098970 773005240 /nfs/dbraw/zinc/00/52/40/773005240.db2.gz YJKXUCUSCJKMIM-UHFFFAOYSA-N 0 0 323.349 0.640 20 10 DCCDRN COCCn1cncc1CNC(=O)c1cc(O)c(O)c(OC)c1 ZINC001193114564 773007610 /nfs/dbraw/zinc/00/76/10/773007610.db2.gz 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/nfs/dbraw/zinc/76/36/66/940763666.db2.gz ZEFRIMKIIYFLBI-SECBINFHSA-N 0 0 306.318 0.531 20 10 DCCDRN CN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)c1ccc(O)c(O)c1O)C2 ZINC001269724046 940764449 /nfs/dbraw/zinc/76/44/49/940764449.db2.gz KTXIVCDFOPMROJ-ANRSDYALSA-N 0 0 306.318 0.354 20 10 DCCDRN CN(C)C(=O)[C@@H]1CC12CN(C(=O)Cc1ccc(O)c(O)c1)C2 ZINC001271293992 941343408 /nfs/dbraw/zinc/34/34/08/941343408.db2.gz SCCZJFCWPUEEEG-NSHDSACASA-N 0 0 304.346 0.577 20 10 DCCDRN O=C1N(C2COC2)C[C@@]2(F)CN(Cc3ccccc3O)C[C@@]12F ZINC001272619416 942871478 /nfs/dbraw/zinc/87/14/78/942871478.db2.gz VPODYDALOIDMNC-JKSUJKDBSA-N 0 0 324.327 0.865 20 10 DCCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)Cc1ccncc1 ZINC001138329266 944136722 /nfs/dbraw/zinc/13/67/22/944136722.db2.gz OIHWCBXPLSANIX-CYBMUJFWSA-N 0 0 302.330 0.755 20 10 DCCDRN COc1cc(CN2Cc3n[nH]c(C(N)=O)c3C2)cc(O)c1O ZINC001277220228 944713134 /nfs/dbraw/zinc/71/31/34/944713134.db2.gz ZTVFJUJXVOSOFA-UHFFFAOYSA-N 0 0 304.306 0.444 20 10 DCCDRN COc1cccc(CNC(=O)C(=O)Nc2nocc2C)c1O ZINC001319416023 945580999 /nfs/dbraw/zinc/58/09/99/945580999.db2.gz JIEYYIJOGQITTD-UHFFFAOYSA-N 0 0 305.290 0.952 20 10 DCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@H](CO)C2)c1 ZINC001254026893 946224290 /nfs/dbraw/zinc/22/42/90/946224290.db2.gz BJXSHCCMPIZZLM-VIFPVBQESA-N 0 0 314.363 0.218 20 10 DCCDRN CN(Cc1ccccc1O)C(=O)C(=O)NCc1ccn(C)n1 ZINC001322899288 946851991 /nfs/dbraw/zinc/85/19/91/946851991.db2.gz SEKYNCRBEZTKNJ-UHFFFAOYSA-N 0 0 302.334 0.401 20 10 DCCDRN CC[S@](=O)CCNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001324488626 947440986 /nfs/dbraw/zinc/44/09/86/947440986.db2.gz FKWYOKHGIBNBFF-NRFANRHFSA-N 0 0 312.391 0.235 20 10 DCCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cnnn2C)c1 ZINC001324585615 947466110 /nfs/dbraw/zinc/46/61/10/947466110.db2.gz BJWRKGQXCIYOAP-MRVPVSSYSA-N 0 0 319.321 0.345 20 10 DCCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCN1CC2(COC2)C1 ZINC001179691410 947888092 /nfs/dbraw/zinc/88/80/92/947888092.db2.gz NGJJJTLFQBMRHF-DUXPYHPUSA-N 0 0 304.346 0.559 20 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0 0 310.375 0.852 20 10 DCCDRN O=C(N[C@@H]1CO[C@@H](C2CC2)C1)C(=O)N1Cc2cccc(O)c2C1 ZINC001330455838 950411745 /nfs/dbraw/zinc/41/17/45/950411745.db2.gz RKZUKRRMPLIZJN-SWLSCSKDSA-N 0 0 316.357 0.918 20 10 DCCDRN C[C@@H](NC(=O)NCCN1CCNC(=O)C1)c1ccccc1O ZINC001330826210 950690165 /nfs/dbraw/zinc/69/01/65/950690165.db2.gz ZAYCKKHUUBGYNC-LLVKDONJSA-N 0 0 306.366 0.184 20 10 DCCDRN CNC(=O)NC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001299352737 951781257 /nfs/dbraw/zinc/78/12/57/951781257.db2.gz FBRDQDIBZIXHKZ-UHFFFAOYSA-N 0 0 307.350 0.560 20 10 DCCDRN CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N2Cc1cc(F)ccc1O ZINC001275909428 952517607 /nfs/dbraw/zinc/51/76/07/952517607.db2.gz YUTLQORFAJJZAT-OKILXGFUSA-N 0 0 307.369 0.878 20 10 DCCDRN CCOC(=O)[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CCO1 ZINC001335551685 952555730 /nfs/dbraw/zinc/55/57/30/952555730.db2.gz PGXKZTIWHAMOQN-CQSZACIVSA-N 0 0 321.377 0.785 20 10 DCCDRN COC[C@H]1COCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001336584847 952731107 /nfs/dbraw/zinc/73/11/07/952731107.db2.gz WQVVWHKYDJYOGN-LBPRGKRZSA-N 0 0 320.345 0.108 20 10 DCCDRN CO[C@H]1CC[C@H]1N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001336606531 952736463 /nfs/dbraw/zinc/73/64/63/952736463.db2.gz XHYBMTYHIAUWPQ-OCCSQVGLSA-N 0 0 304.346 0.870 20 10 DCCDRN COc1ccc(CNC(=O)CN2CCC(CO)CC2)c(O)c1 ZINC001337211096 952828709 /nfs/dbraw/zinc/82/87/09/952828709.db2.gz PSUKPDKVJAEMDX-UHFFFAOYSA-N 0 0 308.378 0.721 20 10 DCCDRN CO[C@]1(C(=O)N2Cc3cccc(O)c3C2)CCS(=O)(=O)C1 ZINC001339019446 953068276 /nfs/dbraw/zinc/06/82/76/953068276.db2.gz VPJASLSJNPVRKP-CQSZACIVSA-N 0 0 311.359 0.438 20 10 DCCDRN C[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1O)c1ncn(C)n1 ZINC001343382274 953342522 /nfs/dbraw/zinc/34/25/22/953342522.db2.gz BGKFNQCILRPUQN-SNVBAGLBSA-N 0 0 317.349 0.357 20 10 DCCDRN CCOc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N3)CC2)cc1 ZINC001347733050 954157106 /nfs/dbraw/zinc/15/71/06/954157106.db2.gz QNNUWVBTQXVZBQ-CQSZACIVSA-N 0 0 303.362 0.622 20 10 DCCDRN COC[C@H](CCNC(=O)C(=O)N(C)Cc1ccccc1O)OC 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316.361 0.429 20 10 DCCDRN CN(CC(=O)NCc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000748345759 667924378 /nfs/dbraw/zinc/92/43/78/667924378.db2.gz JOGXTLUMYHNVPA-GFCCVEGCSA-N 0 0 312.391 0.127 20 10 DCCDRN COc1cccc(CNC(=O)N[C@@H]2CCCN(C)C2=O)c1O ZINC000748662984 667935118 /nfs/dbraw/zinc/93/51/18/667935118.db2.gz FNSHXSVFUBROIS-LLVKDONJSA-N 0 0 307.350 0.821 20 10 DCCDRN CC[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000873110025 667973478 /nfs/dbraw/zinc/97/34/78/667973478.db2.gz HVVQYVNTMWGYLX-CQSZACIVSA-N 0 0 320.393 0.434 20 10 DCCDRN CN1C(=O)CC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000751426520 668001372 /nfs/dbraw/zinc/00/13/72/668001372.db2.gz HOSOSWJKOSOHBP-HNNXBMFYSA-N 0 0 317.389 0.760 20 10 DCCDRN CO[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1OC ZINC000752980864 668024377 /nfs/dbraw/zinc/02/43/77/668024377.db2.gz JKKMIMXBAWHZMA-BETUJISGSA-N 0 0 323.305 0.776 20 10 DCCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(N)=O)cc2F)C[C@@H](C)O1 ZINC000874092863 668146852 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CC[C@@H]([NH2+]CC1(CO)COC1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590462404 1166918402 /nfs/dbraw/zinc/91/84/02/1166918402.db2.gz CDKRSLOZBYDQFQ-GFCCVEGCSA-N 0 0 319.365 0.622 20 10 DCCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cn2nc(C)oc2=O)c1 ZINC001595806889 1167979288 /nfs/dbraw/zinc/97/92/88/1167979288.db2.gz ZARGCHBNPMINGX-MRVPVSSYSA-N 0 0 307.306 0.736 20 10 DCCDRN C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001603658586 1169343591 /nfs/dbraw/zinc/34/35/91/1169343591.db2.gz UFYDPQKVVAQZRS-BXKDBHETSA-N 0 0 316.365 0.892 20 10 DCCDRN C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cc(C(=O)[O-])ccc1O ZINC001604336373 1169556949 /nfs/dbraw/zinc/55/69/49/1169556949.db2.gz FRMWCBMFRQHJLA-BDJLRTHQSA-N 0 0 324.377 0.434 20 10 DCCDRN CC(=O)c1cn(C2CN(C(=O)c3ccc(C)c(O)c3O)C2)nn1 ZINC001606663142 1170255923 /nfs/dbraw/zinc/25/59/23/1170255923.db2.gz KVVUUJOAFCCVIU-UHFFFAOYSA-N 0 0 316.317 0.897 20 10 DCCDRN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC001609650968 1171060337 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310.350 0.777 20 10 DCCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001468744093 1016276140 /nfs/dbraw/zinc/27/61/40/1016276140.db2.gz PIRSYWABIUZGME-GOEBONIOSA-N 0 0 321.421 0.946 20 10 DCCDRN COCC(=O)NC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001441469592 1008366368 /nfs/dbraw/zinc/36/63/68/1008366368.db2.gz SOTCMEQWJGNSGA-UHFFFAOYSA-N 0 0 322.361 0.394 20 10 DCCDRN COC(=O)c1cnc(C(=O)NCc2cccc(O)c2O)cn1 ZINC001455314610 1009651054 /nfs/dbraw/zinc/65/10/54/1009651054.db2.gz HHMCNCCTBFWRKH-UHFFFAOYSA-N 0 0 303.274 0.604 20 10 DCCDRN O=C(NCc1cccc(O)c1O)c1cn(C[C@H]2CCOC2)nn1 ZINC001455316868 1009652898 /nfs/dbraw/zinc/65/28/98/1009652898.db2.gz QUOZCRCZVPTTPE-SNVBAGLBSA-N 0 0 318.333 0.656 20 10 DCCDRN NC(=O)N=Nc1ccc(C(=O)N2C[C@H](CO)[C@H](CCO)C2)cc1 ZINC001457243504 1011620952 /nfs/dbraw/zinc/62/09/52/1011620952.db2.gz KJUCGPIFGBQNAC-VXGBXAGGSA-N 0 0 320.349 0.912 20 10 DCCDRN Cn1nnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001556452769 1012205507 /nfs/dbraw/zinc/20/55/07/1012205507.db2.gz 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/nfs/dbraw/zinc/61/87/36/1171618736.db2.gz HATJIBIJZSITBR-USEMIUTHSA-N 0 0 305.334 0.641 20 10 DCCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(O)COC1 ZINC001634423994 1171673801 /nfs/dbraw/zinc/67/38/01/1171673801.db2.gz QBDAUZZPMSIPAU-UHFFFAOYSA-N 0 0 324.352 0.164 20 10 DCCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/Cn1cncn1 ZINC001638348222 1171795354 /nfs/dbraw/zinc/79/53/54/1171795354.db2.gz OYMBBMLPJOBYBU-KXMPLOMGSA-N 0 0 302.334 0.993 20 10 DCCDRN C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1CS(N)(=O)=O ZINC001639655835 1171846777 /nfs/dbraw/zinc/84/67/77/1171846777.db2.gz ASXKOIWEDINQLN-BDAKNGLRSA-N 0 0 314.363 0.094 20 10 DCCDRN C[C@@]1(CO)C[C@@H](O)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001640904444 1171897313 /nfs/dbraw/zinc/89/73/13/1171897313.db2.gz QENFJGJPIGBXRW-RISCZKNCSA-N 0 0 306.322 0.807 20 10 DCCDRN C[C@H](NC(=O)c1cnn(C[C@H](O)CO)c1)c1ccccc1O ZINC001642831255 1171956538 /nfs/dbraw/zinc/95/65/38/1171956538.db2.gz UWCSMOPQRXXSNM-JQWIXIFHSA-N 0 0 305.334 0.433 20 10 DCCDRN NS(=O)(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001643879432 1171991269 /nfs/dbraw/zinc/99/12/69/1171991269.db2.gz PDYTXXPIVOJDOQ-UHFFFAOYSA-N 0 0 322.342 0.675 20 10 DCCDRN O=C(NCc1cc(O)ccc1O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001644754515 1172021199 /nfs/dbraw/zinc/02/11/99/1172021199.db2.gz ZSFJZMIDLVNLIY-DGCLKSJQSA-N 0 0 304.306 0.315 20 10 DCCDRN O=C(NCC[C@@H]1CCCS1(=O)=O)c1c(F)ccc(O)c1O ZINC001651203998 1173743256 /nfs/dbraw/zinc/74/32/56/1173743256.db2.gz QARWHCVUJUVNJW-QMMMGPOBSA-N 0 0 317.338 0.934 20 10 DCCDRN O=C(NCc1c(O)cccc1F)C1(n2cnnn2)CCOCC1 ZINC001652298889 1173767307 /nfs/dbraw/zinc/76/73/07/1173767307.db2.gz SJUMJPOFNZJXMF-UHFFFAOYSA-N 0 0 321.312 0.340 20 10 DCCDRN O=C(CSc1nnnn1C1CC1)NCc1c(O)cccc1O ZINC001652622667 1173773996 /nfs/dbraw/zinc/77/39/96/1173773996.db2.gz DRECMFBMBZKAME-UHFFFAOYSA-N 0 0 321.362 0.828 20 10 DCCDRN COc1c(O)c(CN[C@@H](C)C2N=NC(=O)N2C)ccc1[N+](=O)[O-] ZINC001652756560 1173775552 /nfs/dbraw/zinc/77/55/52/1173775552.db2.gz ORWVJVCNIMVGSW-ZETCQYMHSA-N 0 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/nfs/dbraw/zinc/68/93/61/751689361.db2.gz NTWNOVSXTMECHS-UHFFFAOYSA-N 0 0 317.393 0.476 20 10 DCCDRN C[C@H](CN1CCOCC1)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403439 747232934 /nfs/dbraw/zinc/23/29/34/747232934.db2.gz ITTKRQNXEIMUJH-KTLBGCOUSA-N 0 0 306.362 0.948 20 10 DCCDRN COc1nc(NCCc2cc(O)c(O)cc2O)nc(OC)n1 ZINC001168009298 748933141 /nfs/dbraw/zinc/93/31/41/748933141.db2.gz GECNGYMEIWNHKH-UHFFFAOYSA-N 0 0 308.294 0.082 20 10 DCCDRN COc1cc(CN2CCOCC2)ccc1N1C[C@H](O)C[C@@H]1CO ZINC001170290063 762606036 /nfs/dbraw/zinc/60/60/36/762606036.db2.gz WCQXQUQQBJZIRZ-HUUCEWRRSA-N 0 0 322.405 0.459 20 10 DCCDRN N=c1cc(C[NH3+])ccn1C(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147889234 767863588 /nfs/dbraw/zinc/86/35/88/767863588.db2.gz CLBYUDRSRMANFM-UHFFFAOYSA-N 0 0 309.329 0.859 20 10 DCCDRN CC[C@H](O)Cn1cc(C(=O)NCc2cc(C)ccc2O)nn1 ZINC001147962658 767893937 /nfs/dbraw/zinc/89/39/37/767893937.db2.gz YDFOMUYQGDSFEX-LBPRGKRZSA-N 0 0 304.350 0.993 20 10 DCCDRN CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1c(O)cccc1Cl 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CC[C@]1(O)CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001118945784 766479914 /nfs/dbraw/zinc/47/99/14/766479914.db2.gz IFFFOBMVTMPFKU-INIZCTEOSA-N 0 0 304.346 0.608 20 10 DCCDRN Nc1ccc(CCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001119362460 766647406 /nfs/dbraw/zinc/64/74/06/766647406.db2.gz LAPIYGOAOMTWMT-OKILXGFUSA-N 0 0 303.362 0.317 20 10 DCCDRN COCCNC(=O)CN1CCN(Cc2ccc(N)cc2)CC1 ZINC001120263394 766950687 /nfs/dbraw/zinc/95/06/87/766950687.db2.gz ODHJZPUFRDRRNV-UHFFFAOYSA-N 0 0 306.410 0.149 20 10 DCCDRN COC[C@@H]1CCCCN1C(=O)CN1C(=O)CSC1=S ZINC001144841406 767062154 /nfs/dbraw/zinc/06/21/54/767062154.db2.gz FSVOUXURGXFKPA-VIFPVBQESA-N 0 0 302.421 0.874 20 10 DCCDRN CC1(C)C[C@@H](NC(=O)CN2C(=O)CSC2=S)CCO1 ZINC001144848333 767064629 /nfs/dbraw/zinc/06/46/29/767064629.db2.gz MEODQUZSJLUHIC-QMMMGPOBSA-N 0 0 302.421 0.921 20 10 DCCDRN CN1CCOc2cc(CN3CCN(CC(N)=O)CC3)ccc21 ZINC001141143737 768568930 /nfs/dbraw/zinc/56/89/30/768568930.db2.gz IJWSRQOJYOGGTJ-UHFFFAOYSA-N 0 0 304.394 0.118 20 10 DCCDRN C[N@H+](C1CN(Cc2ccc(C(=O)[O-])cc2O)C1)[C@@H]1CCOC1 ZINC001231453340 769267414 /nfs/dbraw/zinc/26/74/14/769267414.db2.gz GVPWXMGLSHDPBW-CYBMUJFWSA-N 0 0 306.362 0.995 20 10 DCCDRN COC(=O)C[C@H]1CN(Cc2cc(OC)c(O)cc2O)CCO1 ZINC001231635011 769270957 /nfs/dbraw/zinc/27/09/57/769270957.db2.gz CSXTWRIHPRSWKV-NSHDSACASA-N 0 0 311.334 0.870 20 10 DCCDRN C[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)C[C@@H](O)CO ZINC001232196989 769301756 /nfs/dbraw/zinc/30/17/56/769301756.db2.gz PXLUXWQZTVYDPT-CYBMUJFWSA-N 0 0 314.813 0.962 20 10 DCCDRN COC(=O)[C@H]1CN(C)CCN1Cc1ccc(N(C)C)cc1O ZINC001232841978 769337540 /nfs/dbraw/zinc/33/75/40/769337540.db2.gz WBERDLDVFFITMH-CQSZACIVSA-N 0 0 307.394 0.747 20 10 DCCDRN CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1cc(O)c(O)c(O)c1 ZINC001233013961 769342489 /nfs/dbraw/zinc/34/24/89/769342489.db2.gz VQYUHNQOURGTKP-SNVBAGLBSA-N 0 0 324.333 0.057 20 10 DCCDRN COC(=O)CN1CCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233334452 769361460 /nfs/dbraw/zinc/36/14/60/769361460.db2.gz HTQFHQHFCFCABM-UHFFFAOYSA-N 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