smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(CCS(=O)(=O)NCc2ccc(N3CCCC3)cc2)c(=O)o1 ZINC000825303379 836526304 /nfs/dbraw/zinc/52/63/04/836526304.db2.gz AJBYSMYVVUHBMD-UHFFFAOYSA-N 0 0 366.443 0.865 10 10 FCCERN CCN(OC)C(=O)CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001118215002 847327703 /nfs/dbraw/zinc/32/77/03/847327703.db2.gz FSTKKZIOEOHQNP-LBPRGKRZSA-N 0 0 350.419 0.456 10 10 FCCERN O=C(CC1CS(=O)(=O)C1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001118990018 847664522 /nfs/dbraw/zinc/66/45/22/847664522.db2.gz XYBZMPBRYYBJSR-UHFFFAOYSA-N 0 0 366.483 0.946 10 10 FCCERN C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001163828599 850382377 /nfs/dbraw/zinc/38/23/77/850382377.db2.gz NSSPOQNBCDTIHZ-OUAUKWLOSA-N 0 0 369.443 0.843 10 10 FCCERN CS(=O)(=O)CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001178039122 850883522 /nfs/dbraw/zinc/88/35/22/850883522.db2.gz NPLVKXTWHMSPQN-UHFFFAOYSA-N 0 0 353.444 0.049 10 10 FCCERN COc1ccc(O)c([C@H](C)NC(=O)NC[C@]2(OC)CCS(=O)(=O)C2)c1 ZINC001251160725 857704378 /nfs/dbraw/zinc/70/43/78/857704378.db2.gz AFAXAPJEMFICPT-MEDUHNTESA-N 0 0 372.443 0.965 10 10 FCCERN C[C@H]1[C@@H](O)CCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001252843118 857846350 /nfs/dbraw/zinc/84/63/50/857846350.db2.gz GNNXEMVDOQCRJV-BBRMVZONSA-N 0 0 367.471 0.586 10 10 FCCERN CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001261862600 858690501 /nfs/dbraw/zinc/69/05/01/858690501.db2.gz AVYKDDRIQGYNFK-UHFFFAOYSA-N 0 0 354.428 0.516 10 10 FCCERN CN(C)C(=O)[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC001299321824 866168748 /nfs/dbraw/zinc/16/87/48/866168748.db2.gz OVEAWXXJTWVCIY-JTQLQIEISA-N 0 0 355.416 0.314 10 10 FCCERN COc1ccc(N2CC[C@H](NC(=O)C3(CS(C)(=O)=O)COC3)C2)cc1 ZINC001352424348 867132182 /nfs/dbraw/zinc/13/21/82/867132182.db2.gz VJPXCLFFPXHPID-ZDUSSCGKSA-N 0 0 368.455 0.451 10 10 FCCERN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@](O)(C(F)F)C2)cc1 ZINC001325557110 869934076 /nfs/dbraw/zinc/93/40/76/869934076.db2.gz PIJKYISRBPSWLM-QGZVFWFLSA-N 0 0 355.385 0.940 10 10 FCCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCS(=O)(=O)CCO1 ZINC001346303755 871764566 /nfs/dbraw/zinc/76/45/66/871764566.db2.gz BIZYWILQRFHSSH-UHFFFAOYSA-N 0 0 351.428 0.934 10 10 FCCERN COC[C@H](CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)OC ZINC001333338742 873914444 /nfs/dbraw/zinc/91/44/44/873914444.db2.gz GTODPDVYJOYXML-INIZCTEOSA-N 0 0 351.447 0.879 10 10 FCCERN CN1CCO[C@H](CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000104790468 529789184 /nfs/dbraw/zinc/78/91/84/529789184.db2.gz WLNPSOPEUAPQGW-OAHLLOKOSA-N 0 0 366.437 0.792 10 10 FCCERN CC1(C)O[C@@H]2CO[C@@]3(COS(=O)(=O)[N-][N+]#N)OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000028001606 204873278 /nfs/dbraw/zinc/87/32/78/204873278.db2.gz ULLWHTAOFMDWSA-SREGZZRCSA-N 0 0 365.364 0.956 10 10 FCCERN COCCN1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1=O ZINC000190793174 229262460 /nfs/dbraw/zinc/26/24/60/229262460.db2.gz PVSNCSSPKZOKBI-UHFFFAOYSA-N 0 0 362.474 0.550 10 10 FCCERN C[C@H](Cn1cncn1)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000285853083 229567861 /nfs/dbraw/zinc/56/78/61/229567861.db2.gz APYZOZMLCUXGMA-CQSZACIVSA-N 0 0 354.414 0.475 10 10 FCCERN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000286287398 229570959 /nfs/dbraw/zinc/57/09/59/229570959.db2.gz MFZHJKLMHJWXAZ-STMXVASLSA-N 0 0 354.428 0.993 10 10 FCCERN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCS(=O)(=O)C1 ZINC000365440517 229914696 /nfs/dbraw/zinc/91/46/96/229914696.db2.gz VAZGNGXAALLKKJ-SECBINFHSA-N 0 0 355.372 0.797 10 10 FCCERN COC(=O)COc1ccc(N(CC(=O)N(C)C)CC(=O)N(C)C)cc1 ZINC000047046023 488009544 /nfs/dbraw/zinc/00/95/44/488009544.db2.gz MCSXNLBFKFXLGI-UHFFFAOYSA-N 0 0 351.403 0.221 10 10 FCCERN COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1cc(OC)c(OC)cc1O ZINC000276762154 488786429 /nfs/dbraw/zinc/78/64/29/488786429.db2.gz NAJUEBMYHNOTKY-LLVKDONJSA-N 0 0 359.400 0.181 10 10 FCCERN O=C(CN1CCOCC1=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000280181821 488989282 /nfs/dbraw/zinc/98/92/82/488989282.db2.gz OOPLXYQSSSAQLG-UHFFFAOYSA-N 0 0 351.378 0.137 10 10 FCCERN C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCS1(=O)=O ZINC000365495263 489080752 /nfs/dbraw/zinc/08/07/52/489080752.db2.gz XSWYUTGROOHBMQ-SECBINFHSA-N 0 0 355.372 0.939 10 10 FCCERN CC(=O)N1CCN(c2ccc(CNC(=O)[C@]3(C)CCC(=O)NC3)cc2)CC1 ZINC000282118064 489136296 /nfs/dbraw/zinc/13/62/96/489136296.db2.gz FISAGPBUGCWOOK-HXUWFJFHSA-N 0 0 372.469 0.888 10 10 FCCERN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]2c2nc(N)n(C)n2)cc1 ZINC000298485919 489330608 /nfs/dbraw/zinc/33/06/08/489330608.db2.gz JJJHXPVGNBYMCX-OAHLLOKOSA-N 0 0 357.462 0.917 10 10 FCCERN COc1ccc(N2CCN(CCN3C(=O)N[C@H](CF)C3=O)CC2)cc1 ZINC000287155966 489465853 /nfs/dbraw/zinc/46/58/53/489465853.db2.gz AGZJNPSHSSBNOR-OAHLLOKOSA-N 0 0 350.394 0.707 10 10 FCCERN COc1ccc(O)c(CNC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000371824722 489514423 /nfs/dbraw/zinc/51/44/23/489514423.db2.gz NCHQEFWFDYGGKG-HNNXBMFYSA-N 0 0 363.414 0.980 10 10 FCCERN COC(=O)/C=C/c1ccc(N2CC[C@H]3OCC(=O)N[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000373766604 489687992 /nfs/dbraw/zinc/68/79/92/489687992.db2.gz NVQDBEMWFMSBJX-BYSCNOHMSA-N 0 0 361.354 0.875 10 10 FCCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(n2cnnn2)CCOCC1 ZINC000611657037 491866214 /nfs/dbraw/zinc/86/62/14/491866214.db2.gz IILDKEHLMMRIKI-UHFFFAOYSA-N 0 0 358.402 0.670 10 10 FCCERN CN(C)c1ccc(CNC(=O)CN2CCS(=O)(=O)C(C)(C)C2)cc1 ZINC000155203632 674344091 /nfs/dbraw/zinc/34/40/91/674344091.db2.gz FDIOWDSHMPEPFJ-UHFFFAOYSA-N 0 0 353.488 0.878 10 10 FCCERN COC(=O)C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1 ZINC000327162577 533734134 /nfs/dbraw/zinc/73/41/34/533734134.db2.gz SEUNZEVGGHNYOZ-VIFPVBQESA-N 0 0 351.315 0.694 10 10 FCCERN O=C(CN1CCOCC1=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000280127294 534542618 /nfs/dbraw/zinc/54/26/18/534542618.db2.gz LJZIYHVRGOSTHE-UHFFFAOYSA-N 0 0 365.405 0.262 10 10 FCCERN CCOC(=O)N1CCN(S(=O)(=O)Nc2ccc(O)c(OC)c2)CC1 ZINC000280545063 528993509 /nfs/dbraw/zinc/99/35/09/528993509.db2.gz IKXVPCNZBORXOP-UHFFFAOYSA-N 0 0 359.404 0.832 10 10 FCCERN C[C@H](NS(C)(=O)=O)C(=O)NCc1cc(Br)ccc1O ZINC000804739527 663235282 /nfs/dbraw/zinc/23/52/82/663235282.db2.gz IPXZBKDATIOULX-ZETCQYMHSA-N 0 0 351.222 0.709 10 10 FCCERN COC(=O)c1c(CN2CC[C@@H](S(N)(=O)=O)C2)c2cc(F)ccc2n1C ZINC000894535386 664970502 /nfs/dbraw/zinc/97/05/02/664970502.db2.gz ZRSZPHCCONXWRL-LLVKDONJSA-N 0 0 369.418 0.967 10 10 FCCERN COCCNC(=O)CN1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000732524714 666885674 /nfs/dbraw/zinc/88/56/74/666885674.db2.gz QBDFLLOXJZUIJD-UHFFFAOYSA-N 0 0 351.447 0.589 10 10 FCCERN COc1ccc(N2CCC(NC(=O)CS(=O)(=O)N(C)C)CC2)cc1 ZINC000751888740 667492849 /nfs/dbraw/zinc/49/28/49/667492849.db2.gz RHWBXPGXEVBSDC-UHFFFAOYSA-N 0 0 355.460 0.672 10 10 FCCERN COc1cc(C)cc(CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1O ZINC000754727852 667607682 /nfs/dbraw/zinc/60/76/82/667607682.db2.gz RDJIPDDBWTZEKJ-ZDUSSCGKSA-N 0 0 356.444 0.444 10 10 FCCERN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H](O)CS(C)(=O)=O ZINC000922917161 667793619 /nfs/dbraw/zinc/79/36/19/667793619.db2.gz YAHJVGJKVOXLPI-CJNGLKHVSA-N 0 0 371.503 0.697 10 10 FCCERN CCOC(=O)c1cnn2c1[nH]c(CN1CCSC[C@H]1CCO)cc2=O ZINC000759731813 667818256 /nfs/dbraw/zinc/81/82/56/667818256.db2.gz OBSADXUGLCTUKC-GFCCVEGCSA-N 0 0 366.443 0.911 10 10 FCCERN NC(=O)C1=NO[C@H](CNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000838588987 667944399 /nfs/dbraw/zinc/94/43/99/667944399.db2.gz ZAWRNSYAHFCTCO-VIFPVBQESA-N 0 0 371.191 0.584 10 10 FCCERN Cc1cc(Br)cc(CN2CCN(CC(N)=O)C(=O)C2)c1O ZINC000839169286 667978926 /nfs/dbraw/zinc/97/89/26/667978926.db2.gz GYFZZNUBSMUFNT-UHFFFAOYSA-N 0 0 356.220 0.593 10 10 FCCERN CN(C)c1ccc(CNC(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000740888323 668007983 /nfs/dbraw/zinc/00/79/83/668007983.db2.gz FEJKFTBWVDKZIF-OAHLLOKOSA-N 0 0 353.488 0.735 10 10 FCCERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCO[C@]3(CCOC3)C2)c1 ZINC000769626515 668144546 /nfs/dbraw/zinc/14/45/46/668144546.db2.gz VZQZMDOLKAQJDV-OAHLLOKOSA-N 0 0 356.400 0.395 10 10 FCCERN CCc1nc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)no1 ZINC000775378054 668212539 /nfs/dbraw/zinc/21/25/39/668212539.db2.gz RVLZYRBWVWJPEN-UHFFFAOYSA-N 0 0 364.427 0.797 10 10 FCCERN CS(=O)(=O)N[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000780524215 668474727 /nfs/dbraw/zinc/47/47/27/668474727.db2.gz FJJDDWBZOQSKFP-SECBINFHSA-N 0 0 370.387 0.444 10 10 FCCERN CN(C)S(=O)(=O)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000785355587 668707903 /nfs/dbraw/zinc/70/79/03/668707903.db2.gz WKPKUUORUXKZCO-UHFFFAOYSA-N 0 0 359.423 0.170 10 10 FCCERN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](O)CC(F)(F)C1)cc2=O ZINC000787367574 668795409 /nfs/dbraw/zinc/79/54/09/668795409.db2.gz KLEHXBOFFYJRSR-SNVBAGLBSA-N 0 0 356.329 0.814 10 10 FCCERN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000806037780 668932299 /nfs/dbraw/zinc/93/22/99/668932299.db2.gz VIDLDXOYAJIJJR-CYBMUJFWSA-N 0 0 356.448 0.462 10 10 FCCERN COc1ccc(N2CC[C@@H](CNC(=O)CS(=O)(=O)N(C)C)C2)cc1 ZINC000819585871 669016640 /nfs/dbraw/zinc/01/66/40/669016640.db2.gz JAVYOYYTTZYTJR-ZDUSSCGKSA-N 0 0 355.460 0.529 10 10 FCCERN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000797431674 669183451 /nfs/dbraw/zinc/18/34/51/669183451.db2.gz VJWNHAFJTKLENR-LLVKDONJSA-N 0 0 362.477 0.951 10 10 FCCERN CN1C[C@H](NC(=O)C(=O)NCCCSc2nccs2)CCC1=O ZINC000806188336 669394747 /nfs/dbraw/zinc/39/47/47/669394747.db2.gz UAYRBHOETUJUOU-SNVBAGLBSA-N 0 0 356.473 0.479 10 10 FCCERN CC(=O)C(=O)COC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000808503095 669570503 /nfs/dbraw/zinc/57/05/03/669570503.db2.gz FKMYMXPDLCFTIU-UHFFFAOYSA-N 0 0 364.173 0.411 10 10 FCCERN CC(=O)C(=O)COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000808505250 669570559 /nfs/dbraw/zinc/57/05/59/669570559.db2.gz WFPWATKCTFIRRP-NSHDSACASA-N 0 0 359.425 0.993 10 10 FCCERN CC(=O)C(=O)COC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000808521481 669571533 /nfs/dbraw/zinc/57/15/33/669571533.db2.gz SSECVLNTBCGWTN-UHFFFAOYSA-N 0 0 366.395 0.549 10 10 FCCERN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CCNC2=O)cc1F ZINC000827986569 669607884 /nfs/dbraw/zinc/60/78/84/669607884.db2.gz PVCHRYLRALSDLA-ZDUSSCGKSA-N 0 0 350.394 0.293 10 10 FCCERN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000833558815 669935136 /nfs/dbraw/zinc/93/51/36/669935136.db2.gz FYUSSRFBDJNREN-CYBMUJFWSA-N 0 0 371.459 0.340 10 10 FCCERN C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@H](C)CN1CCO ZINC000841457856 670562393 /nfs/dbraw/zinc/56/23/93/670562393.db2.gz WKIOJRFMFZUUTL-VXGBXAGGSA-N 0 0 371.459 0.291 10 10 FCCERN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H](C)S(N)(=O)=O ZINC000841588882 670600720 /nfs/dbraw/zinc/60/07/20/670600720.db2.gz HNEJLBYLBGDPIR-QWHCGFSZSA-N 0 0 356.492 0.968 10 10 FCCERN COC(=O)[C@H]1CSCCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842238245 670657203 /nfs/dbraw/zinc/65/72/03/670657203.db2.gz LRASTOFHCFEKQS-CYBMUJFWSA-N 0 0 365.455 0.292 10 10 FCCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000843757973 670851157 /nfs/dbraw/zinc/85/11/57/670851157.db2.gz HVLGSRSAWASCIJ-MRXNPFEDSA-N 0 0 367.471 0.516 10 10 FCCERN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](S(N)(=O)=O)C3)C2)cc1 ZINC000852451165 671508174 /nfs/dbraw/zinc/50/81/74/671508174.db2.gz FHLDVFUODFYPJR-IUODEOHRSA-N 0 0 368.459 0.346 10 10 FCCERN O=C(NCc1cc(Br)ccc1O)c1cnn(C[C@@H](O)CO)c1 ZINC000854442408 671578687 /nfs/dbraw/zinc/57/86/87/671578687.db2.gz RCDJASWOVCCXTI-GFCCVEGCSA-N 0 0 370.203 0.634 10 10 FCCERN CO[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CCOC1 ZINC000855211015 671630045 /nfs/dbraw/zinc/63/00/45/671630045.db2.gz PFBCVUHJQNOWSX-QMTHXVAHSA-N 0 0 358.416 0.545 10 10 FCCERN COCCS(=O)(=O)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855229885 671630892 /nfs/dbraw/zinc/63/08/92/671630892.db2.gz AKXYNOQOKXBLBZ-ZDUSSCGKSA-N 0 0 356.444 0.451 10 10 FCCERN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCN(C)S3(=O)=O)C2)cc1 ZINC000855225039 671630951 /nfs/dbraw/zinc/63/09/51/671630951.db2.gz NKXYMBSFMNMHDO-DOMZBBRYSA-N 0 0 353.444 0.424 10 10 FCCERN 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/nfs/dbraw/zinc/01/78/23/1267017823.db2.gz WGUOQBFMJANKSZ-MRXNPFEDSA-N 0 0 361.467 0.615 10 10 FCCERN C[C@]1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCNC(=O)C1 ZINC001534541346 1267266339 /nfs/dbraw/zinc/26/63/39/1267266339.db2.gz WTXZLEMRPNKVEO-YWZLYKJASA-N 0 0 372.469 0.921 10 10 FCCERN COC(=O)N(C)CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001537840317 1267383960 /nfs/dbraw/zinc/38/39/60/1267383960.db2.gz YVZCSVLHAYHCJS-UHFFFAOYSA-N 0 0 362.430 0.703 10 10 FCCERN NC(=O)C1CCN(c2ccc(CNC(=O)CCc3cn[nH]n3)cc2)CC1 ZINC001558397542 1269084481 /nfs/dbraw/zinc/08/44/81/1269084481.db2.gz PHNWUAMZZQQLET-UHFFFAOYSA-N 0 0 356.430 0.755 10 10 FCCERN C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1c1nccn2cnnc12 ZINC001566543729 1269650881 /nfs/dbraw/zinc/65/08/81/1269650881.db2.gz IHTAYVDCNRWCGH-LBPRGKRZSA-N 0 0 368.397 0.815 10 10 FCCERN NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(O)cc2O)cc1 ZINC001570462415 1269886273 /nfs/dbraw/zinc/88/62/73/1269886273.db2.gz SDNZLUDPBNMEDW-UHFFFAOYSA-N 0 0 352.368 0.440 10 10 FCCERN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001584122090 1282135486 /nfs/dbraw/zinc/13/54/86/1282135486.db2.gz FOOOIFKZBJKLDV-KWQFWETISA-N 0 0 357.409 0.854 10 10 FCCERN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](C)c1ccccc1O ZINC001587446866 1282356807 /nfs/dbraw/zinc/35/68/07/1282356807.db2.gz AEEMNHOPDXGPMY-GHMZBOCLSA-N 0 0 352.416 0.670 10 10 FCCERN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1ccc(O)c(O)c1 ZINC001635959583 1282446658 /nfs/dbraw/zinc/44/66/58/1282446658.db2.gz KWKFWPJGHDFNAT-ZDUSSCGKSA-N 0 0 355.350 0.855 10 10 FCCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001637266319 1282582177 /nfs/dbraw/zinc/58/21/77/1282582177.db2.gz SNBQZBKGOPXYBR-BLLLJJGKSA-N 0 0 355.412 0.493 10 10 FCCERN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCNC1=O ZINC001638030363 1282653679 /nfs/dbraw/zinc/65/36/79/1282653679.db2.gz KGIXROGTTBHNQV-RYUDHWBXSA-N 0 0 350.371 0.214 10 10 FCCERN Cc1c(C(=O)NCc2c(O)cccc2F)cnc2c1c(=O)n(C)c(=O)n2C ZINC001638864388 1282728440 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CN(C)c1nc(N)nc(C(=O)NCc2cccc(Br)c2O)n1 ZINC001623364302 1290215045 /nfs/dbraw/zinc/21/50/45/1290215045.db2.gz OYKLHMCEEWVIIP-UHFFFAOYSA-N 0 0 367.207 0.918 10 10 FCCERN CNS(=O)(=O)NCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001629107444 1290576592 /nfs/dbraw/zinc/57/65/92/1290576592.db2.gz JDCPRIIVFWSATB-UHFFFAOYSA-N 0 0 360.399 0.389 10 10 FCCERN O=C(CNS(=O)(=O)c1ccc(F)cc1)NCCc1ccc(O)c(O)c1 ZINC001630334619 1290660650 /nfs/dbraw/zinc/66/06/50/1290660650.db2.gz CZGPIWQWOYYAMD-UHFFFAOYSA-N 0 0 368.386 0.874 10 10 FCCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)c1 ZINC001630366485 1290664005 /nfs/dbraw/zinc/66/40/05/1290664005.db2.gz RGUCCWCHFNDNSC-BXUZGUMPSA-N 0 0 365.430 0.984 10 10 FCCERN Cc1cc(C(=O)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)c(C)n1-c1ccccn1 ZINC001630581286 1290678720 /nfs/dbraw/zinc/67/87/20/1290678720.db2.gz RFOIIDPRNVDGEC-OKILXGFUSA-N 0 0 355.398 0.148 10 10 FCCERN Cn1nc2c(c1C(=O)NCc1c(O)cccc1O)CS(=O)(=O)CC2 ZINC001652628466 1291287522 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FCCERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000746885218 836201158 /nfs/dbraw/zinc/20/11/58/836201158.db2.gz CXUOAQOSBYDRPD-VHSXEESVSA-N 0 0 355.416 0.538 10 10 FCCERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000746885217 836201264 /nfs/dbraw/zinc/20/12/64/836201264.db2.gz CXUOAQOSBYDRPD-UWVGGRQHSA-N 0 0 355.416 0.538 10 10 FCCERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000746885215 836201486 /nfs/dbraw/zinc/20/14/86/836201486.db2.gz CXUOAQOSBYDRPD-NXEZZACHSA-N 0 0 355.416 0.538 10 10 FCCERN COc1ccc(O)c([C@H](C)NS(=O)(=O)CCCS(C)(=O)=O)c1 ZINC000751318213 836480238 /nfs/dbraw/zinc/48/02/38/836480238.db2.gz LGSHRZLNDOKJIZ-JTQLQIEISA-N 0 0 351.446 0.816 10 10 FCCERN CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1c(F)ccc(O)c1O ZINC001184327624 851300298 /nfs/dbraw/zinc/30/02/98/851300298.db2.gz WKEGXZSDLMWBCF-UHFFFAOYSA-N 0 0 354.381 0.024 10 10 FCCERN COc1cccc(CNC(=O)NC[C@@]2(OC)CCS(=O)(=O)C2)c1O ZINC001251161551 857704337 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C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)CS1(=O)=O ZINC001328780808 871620415 /nfs/dbraw/zinc/62/04/15/871620415.db2.gz QTOMJXDHWITCKF-JSGCOSHPSA-N 0 0 367.471 0.451 10 10 FCCERN COC(=O)[C@]1(N2CCN(Cc3c(O)cccc3OC)CC2)CCOC1 ZINC001329160579 871854952 /nfs/dbraw/zinc/85/49/52/871854952.db2.gz HAXYYTLQPJKRQE-SFHVURJKSA-N 0 0 350.415 0.851 10 10 FCCERN CN(C)c1ccc(CNC(=O)C(=O)NCC[C@H]2CCCS2(=O)=O)cc1 ZINC001331633786 873170066 /nfs/dbraw/zinc/17/00/66/873170066.db2.gz UEIKVWVDRURKBK-OAHLLOKOSA-N 0 0 367.471 0.452 10 10 FCCERN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000172021648 529779866 /nfs/dbraw/zinc/77/98/66/529779866.db2.gz DYGFBEYLCXNRRU-HNNXBMFYSA-N 0 0 368.503 0.335 10 10 FCCERN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000172021654 529780050 /nfs/dbraw/zinc/78/00/50/529780050.db2.gz DYGFBEYLCXNRRU-OAHLLOKOSA-N 0 0 368.503 0.335 10 10 FCCERN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1F ZINC000285620421 529780847 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FCCERN COc1ccc(N2CCN(C(=O)CN3CCN(C(C)=O)C[C@H]3C)CC2)cc1 ZINC000268701547 488443419 /nfs/dbraw/zinc/44/34/19/488443419.db2.gz RKRNAJKTGKNKQF-MRXNPFEDSA-N 0 0 374.485 0.896 10 10 FCCERN C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC(=O)N1C ZINC000284139507 489302296 /nfs/dbraw/zinc/30/22/96/489302296.db2.gz QAIQZFZVNMUPHV-AWEZNQCLSA-N 0 0 358.442 0.592 10 10 FCCERN Cc1cn2c(n1)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)CC2 ZINC000371728387 489502391 /nfs/dbraw/zinc/50/23/91/489502391.db2.gz QZPBSUXTQGNKAM-UHFFFAOYSA-N 0 0 350.400 0.925 10 10 FCCERN CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC000284326669 526604786 /nfs/dbraw/zinc/60/47/86/526604786.db2.gz WVBRSEUNUGBVEB-HNNXBMFYSA-N 0 0 372.469 0.982 10 10 FCCERN CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC000284326675 526605053 /nfs/dbraw/zinc/60/50/53/526605053.db2.gz WVBRSEUNUGBVEB-OAHLLOKOSA-N 0 0 372.469 0.982 10 10 FCCERN O=C(CN1CCC(=O)NC1=O)NCc1cc(Br)ccc1O ZINC000804739318 663235207 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CON(C)C[C@@H](O)Cn1cc(NC(=O)Cc2ccc(O)c(O)c2)cn1 ZINC001295118504 865879329 /nfs/dbraw/zinc/87/93/29/865879329.db2.gz POMHYGRPYRQTHP-CYBMUJFWSA-N 0 0 350.375 0.330 10 10 FCCERN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(CO)n1 ZINC001296054888 865935670 /nfs/dbraw/zinc/93/56/70/865935670.db2.gz NHDVGDVPBNLBNF-JTQLQIEISA-N 0 0 366.395 0.951 10 10 FCCERN Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccccc2O)cn1C ZINC001302530461 866339258 /nfs/dbraw/zinc/33/92/58/866339258.db2.gz QIYHTOUOBHLWLL-LLVKDONJSA-N 0 0 366.443 0.980 10 10 FCCERN O=S1(=O)CC[C@@]2(C1)CN(Cc1cc3c(cc1O)OC[C@H]3O)CCO2 ZINC001326485409 870345387 /nfs/dbraw/zinc/34/53/87/870345387.db2.gz FKIZRJGDJSFPIU-ZBFHGGJFSA-N 0 0 355.412 0.208 10 10 FCCERN C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)CS1(=O)=O ZINC001328780809 871620627 /nfs/dbraw/zinc/62/06/27/871620627.db2.gz QTOMJXDHWITCKF-OCCSQVGLSA-N 0 0 367.471 0.451 10 10 FCCERN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCS(=O)(=O)CCO1 ZINC001346141183 871666211 /nfs/dbraw/zinc/66/62/11/871666211.db2.gz 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533382925 /nfs/dbraw/zinc/38/29/25/533382925.db2.gz IADLJQCLPPDGHB-ZDUSSCGKSA-N 0 0 365.405 0.920 10 10 FCCERN O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000279477329 488945213 /nfs/dbraw/zinc/94/52/13/488945213.db2.gz MKHOARCSQHCGAO-IBGZPJMESA-N 0 0 358.442 0.945 10 10 FCCERN CC(=O)N1CCN(c2ccc(CNC(=O)c3cccn(C)c3=O)cc2)CC1 ZINC000276082176 488782129 /nfs/dbraw/zinc/78/21/29/488782129.db2.gz BLRLSZWPVIYTBV-UHFFFAOYSA-N 0 0 368.437 0.984 10 10 FCCERN CCOC(=O)[C@@H](CCOC)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000281576929 489088259 /nfs/dbraw/zinc/08/82/59/489088259.db2.gz LUHFTUDFMCLKGY-GFCCVEGCSA-N 0 0 374.415 0.462 10 10 FCCERN COc1ccc(N2CCN(C(=O)CN3CC(=O)N(C)[C@@H](C)C3)CC2)cc1 ZINC000282204583 489144926 /nfs/dbraw/zinc/14/49/26/489144926.db2.gz OCSFIWXVWJAHKP-HNNXBMFYSA-N 0 0 360.458 0.506 10 10 FCCERN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)cc1 ZINC000283985296 489300062 /nfs/dbraw/zinc/30/00/62/489300062.db2.gz JIGLFABPLRHLFQ-HNNXBMFYSA-N 0 0 360.458 0.886 10 10 FCCERN 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