smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000218428053 534169590 /nfs/dbraw/zinc/16/95/90/534169590.db2.gz OROFQWCHZMFZRN-UHFFFAOYSA-N 0 0 392.433 1.871 40 70 GDIBRN O=C(C1CCN(c2ncccn2)CC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000218061781 203789917 /nfs/dbraw/zinc/78/99/17/203789917.db2.gz YREDXLAFJRQFFT-DOTOQJQBSA-N 0 0 379.464 1.501 40 70 GDIBRN O=C(Cn1cnc2ccsc2c1=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217926078 570322740 /nfs/dbraw/zinc/32/27/40/570322740.db2.gz WJTCSJPVRQONQP-QWHCGFSZSA-N 0 0 382.445 1.266 40 70 GDIBRN COCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000216869009 531027047 /nfs/dbraw/zinc/02/70/47/531027047.db2.gz SXYQYCDGVWEBEK-UHFFFAOYSA-N 0 0 389.905 1.042 40 70 GDIBRN COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl ZINC000216880163 531027325 /nfs/dbraw/zinc/02/73/25/531027325.db2.gz XMVNJYTVRVQGMI-GFCCVEGCSA-N 0 0 389.905 1.041 40 70 GDIBRN Cc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216855920 570308193 /nfs/dbraw/zinc/30/81/93/570308193.db2.gz DYTWOIBPUWTUCP-UHFFFAOYSA-N 0 0 388.493 1.256 40 70 GDIBRN COc1cccc(CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000218326197 570331230 /nfs/dbraw/zinc/33/12/30/570331230.db2.gz VLRNSERXOOAFED-UHFFFAOYSA-N 0 0 388.445 1.589 40 70 GDIBRN CC(C)(C)c1ccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 ZINC000218562332 570336762 /nfs/dbraw/zinc/33/67/62/570336762.db2.gz QCTTXYWYMKAEGF-UHFFFAOYSA-N 0 0 397.541 1.199 40 70 GDIBRN O=S(=O)(c1ccccc1Cl)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217625413 136203492 /nfs/dbraw/zinc/20/34/92/136203492.db2.gz SIUVTZVZHAXGGZ-UHFFFAOYSA-N 0 0 394.884 1.714 40 70 GDIBRN CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1cccc2ccccc21 ZINC000218279398 570329497 /nfs/dbraw/zinc/32/94/97/570329497.db2.gz LGNMBDPQVHVVLP-UHFFFAOYSA-N 0 0 391.493 1.054 40 70 GDIBRN COc1ccc(CNC(=O)N2CCc3cnc(N4CCOCC4)nc3C2)cc1 ZINC000217624399 136203404 /nfs/dbraw/zinc/20/34/04/136203404.db2.gz VIFQKPVDNJOAFM-UHFFFAOYSA-N 0 0 383.452 1.590 40 70 GDIBRN Cn1cc(CC(=O)N2CCc3cnc(N4CCOCC4)nc3C2)c2ccccc21 ZINC000217621798 136203389 /nfs/dbraw/zinc/20/33/89/136203389.db2.gz WVCUYUZVQBGNJK-UHFFFAOYSA-N 0 0 391.475 1.932 40 70 GDIBRN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217621579 136203366 /nfs/dbraw/zinc/20/33/66/136203366.db2.gz UZYOEXDEESXREV-UHFFFAOYSA-N 0 0 390.447 1.902 40 70 GDIBRN Cc1ccc(C(=O)N2CCCCCC2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216854960 570308210 /nfs/dbraw/zinc/30/82/10/570308210.db2.gz TYSHUKXIWMZBLR-UHFFFAOYSA-N 0 0 379.526 1.947 40 70 GDIBRN CN1CCN(S(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2Cl)CC1 ZINC000216869889 570308658 /nfs/dbraw/zinc/30/86/58/570308658.db2.gz JJHDPGGNQGBVPI-UHFFFAOYSA-N 0 0 397.884 1.799 40 70 GDIBRN COc1cccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000218426853 533602149 /nfs/dbraw/zinc/60/21/49/533602149.db2.gz VFKNRGAQXZDZLB-UHFFFAOYSA-N 0 0 392.433 1.871 40 70 GDIBRN COc1ccc(CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000218326278 570331287 /nfs/dbraw/zinc/33/12/87/570331287.db2.gz VXEWBBMOJMTJRE-UHFFFAOYSA-N 0 0 388.445 1.589 40 70 GDIBRN COc1ccc(CC(=O)N2CCc3cnc(N4CCOCC4)nc3C2)cc1OC ZINC000217620201 136203344 /nfs/dbraw/zinc/20/33/44/136203344.db2.gz DXFMULRVWXOIRO-UHFFFAOYSA-N 0 0 398.463 1.458 40 70 GDIBRN CN(C)S(=O)(=O)N(CC(=O)NCCN(C)c1ccccc1)c1ccccc1 ZINC000218417832 570333621 /nfs/dbraw/zinc/33/36/21/570333621.db2.gz FHKDBBOANFRLFS-UHFFFAOYSA-N 0 0 390.509 1.552 40 70 GDIBRN Cc1ccc(OC[C@@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000218327275 570331258 /nfs/dbraw/zinc/33/12/58/570331258.db2.gz AONFJNKQZWWNDR-CQSZACIVSA-N 0 0 388.445 1.723 40 70 GDIBRN O=S(=O)(c1c(F)cccc1F)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217625523 136203465 /nfs/dbraw/zinc/20/34/65/136203465.db2.gz LLPFNRIHMRVWCD-UHFFFAOYSA-N 0 0 396.419 1.338 40 70 GDIBRN CCc1ccc(S(=O)(=O)N2CCc3cnc(N4CCOCC4)nc3C2)s1 ZINC000217625302 136203466 /nfs/dbraw/zinc/20/34/66/136203466.db2.gz SCDLJEXPSGPPGU-UHFFFAOYSA-N 0 0 394.522 1.684 40 70 GDIBRN COc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216783627 570306279 /nfs/dbraw/zinc/30/62/79/570306279.db2.gz CXVPKSAESWINKX-UHFFFAOYSA-N 0 0 393.465 1.154 40 70 GDIBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCC[C@H](C)C1 ZINC000216864795 570308707 /nfs/dbraw/zinc/30/87/07/570308707.db2.gz NOQGTJLRVMXRIP-HNNXBMFYSA-N 0 0 379.526 1.803 40 70 GDIBRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccco1 ZINC000216786696 570306640 /nfs/dbraw/zinc/30/66/40/570306640.db2.gz CTNHZLFYAGRRTE-UHFFFAOYSA-N 0 0 393.465 1.154 40 70 GDIBRN O=C(COc1ccc2c(c1)NC(=O)CC2)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217591144 208829112 /nfs/dbraw/zinc/82/91/12/208829112.db2.gz PLJLMXIRCLDPOM-GOEBONIOSA-N 0 0 393.443 1.758 40 70 GDIBRN C[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)N1Cc2ccccc2C1=O ZINC000217953991 208831289 /nfs/dbraw/zinc/83/12/89/208831289.db2.gz BHBXEWHNNPPDPK-YQQAZPJKSA-N 0 0 377.444 1.839 40 70 GDIBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccncc1 ZINC000216862223 570308226 /nfs/dbraw/zinc/30/82/26/570308226.db2.gz XBMNJXMRUTTXOL-UHFFFAOYSA-N 0 0 388.493 1.256 40 70 GDIBRN COCCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl ZINC000216874487 208825344 /nfs/dbraw/zinc/82/53/44/208825344.db2.gz QUGDHBOXVSXKQG-UHFFFAOYSA-N 0 0 389.905 1.042 40 70 GDIBRN CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccnc3)c2)CC1 ZINC000216876850 570308595 /nfs/dbraw/zinc/30/85/95/570308595.db2.gz WQCFHRWCZBEXES-UHFFFAOYSA-N 0 0 394.884 1.923 40 70 GDIBRN CNS(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1N1CCN(C)CC1 ZINC000216789389 136203090 /nfs/dbraw/zinc/20/30/90/136203090.db2.gz ZAQSYAPUWQFFFG-UHFFFAOYSA-N 0 0 394.541 1.409 40 70 GDIBRN CSc1nc(Nc2ccc(S(N)(=O)=O)cc2)cc(N2CCN(C)CC2)n1 ZINC000216852579 136203230 /nfs/dbraw/zinc/20/32/30/136203230.db2.gz WAXZXPOIQUORDB-UHFFFAOYSA-N 0 0 394.526 1.341 40 70 GDIBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCCOC(C)C ZINC000216862968 570308590 /nfs/dbraw/zinc/30/85/90/570308590.db2.gz LBCXHYSPVSGEDX-UHFFFAOYSA-N 0 0 397.541 1.476 40 70 GDIBRN C[C@H](C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)n1cnc2ccccc2c1=O ZINC000217581102 570318471 /nfs/dbraw/zinc/31/84/71/570318471.db2.gz NBSGQDFOHRBDDN-OWCLPIDISA-N 0 0 390.443 1.765 40 70 GDIBRN O=C(c1cnn(-c2ccccc2)n1)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217621692 136203289 /nfs/dbraw/zinc/20/32/89/136203289.db2.gz RUTVUXGUGFVYKO-UHFFFAOYSA-N 0 0 391.435 1.092 40 70 GDIBRN O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000218043981 570324391 /nfs/dbraw/zinc/32/43/91/570324391.db2.gz LZQCZNAGXAVXAF-XHSDSOJGSA-N 0 0 381.432 1.436 40 70 GDIBRN O=S(=O)(/C=C/c1ccccc1)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217624856 136203452 /nfs/dbraw/zinc/20/34/52/136203452.db2.gz XTPCYMCGNCQFHP-NTUHNPAUSA-N 0 0 386.477 1.672 40 70 GDIBRN COc1ccccc1CCCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000218326102 570331060 /nfs/dbraw/zinc/33/10/60/570331060.db2.gz WKVVMLRYWUCAIB-UHFFFAOYSA-N 0 0 388.445 1.589 40 70 GDIBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1cccnc1 ZINC000216862200 570308082 /nfs/dbraw/zinc/30/80/82/570308082.db2.gz PQRAORAFTRIVFV-UHFFFAOYSA-N 0 0 388.493 1.256 40 70 GDIBRN Cc1ccc(OC[C@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000218327353 570331508 /nfs/dbraw/zinc/33/15/08/570331508.db2.gz AONFJNKQZWWNDR-AWEZNQCLSA-N 0 0 388.445 1.723 40 70 GDIBRN O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1nc(-c2ccccc2)no1 ZINC000218329237 570331666 /nfs/dbraw/zinc/33/16/66/570331666.db2.gz UFSIWYURNWSHNX-UHFFFAOYSA-N 0 0 398.400 1.198 40 70 GDIBRN CNS(=O)(=O)c1cc(C(=O)Nc2ccccc2)ccc1N1CCN(C)CC1 ZINC000216790059 136203202 /nfs/dbraw/zinc/20/32/02/136203202.db2.gz DTAYRDSEMLEFGB-UHFFFAOYSA-N 0 0 388.493 1.599 40 70 GDIBRN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217619956 136203292 /nfs/dbraw/zinc/20/32/92/136203292.db2.gz HAOGELLUGMZLIM-DUXPYHPUSA-N 0 0 394.431 1.640 40 70 GDIBRN Cc1ccc(C(=O)N2CCC(C)CC2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216854935 570308033 /nfs/dbraw/zinc/30/80/33/570308033.db2.gz CGPAHFZXKZYNSH-UHFFFAOYSA-N 0 0 379.526 1.803 40 70 GDIBRN CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCCC3)c2)CC1 ZINC000216874057 531026948 /nfs/dbraw/zinc/02/69/48/531026948.db2.gz FNNJZZAEAGUFOA-UHFFFAOYSA-N 0 0 385.917 1.902 40 70 GDIBRN O=C(CCN1Cc2ccccc2C1=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000218087174 570942873 /nfs/dbraw/zinc/94/28/73/570942873.db2.gz LIUCSAOGRXHLPO-DOTOQJQBSA-N 0 0 377.444 1.840 40 70 GDIBRN O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000218044059 208832994 /nfs/dbraw/zinc/83/29/94/208832994.db2.gz LZQCZNAGXAVXAF-ARFHVFGLSA-N 0 0 381.432 1.436 40 70 GDIBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCCCCC1 ZINC000216861542 570308278 /nfs/dbraw/zinc/30/82/78/570308278.db2.gz DGPFOXAETMRBAO-UHFFFAOYSA-N 0 0 379.526 1.947 40 70 GDIBRN Cc1ccc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c(-n2cnnn2)c1C ZINC000217941784 570322719 /nfs/dbraw/zinc/32/27/19/570322719.db2.gz NHWWJAONYQPKLI-JKSUJKDBSA-N 0 0 390.447 1.700 40 70 GDIBRN CCOCCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000216856625 570308214 /nfs/dbraw/zinc/30/82/14/570308214.db2.gz XEDLRLUDBVQGDQ-UHFFFAOYSA-N 0 0 383.514 1.088 40 70 GDIBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCC[C@@H](C)C1 ZINC000216864769 570308720 /nfs/dbraw/zinc/30/87/20/570308720.db2.gz NOQGTJLRVMXRIP-OAHLLOKOSA-N 0 0 379.526 1.803 40 70 GDIBRN O=C([C@H](c1ccccc1)n1cnnn1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000218102024 570325399 /nfs/dbraw/zinc/32/53/99/570325399.db2.gz AAAHUMSMAVFIEC-GMBSWORKSA-N 0 0 376.420 1.070 40 70 GDIBRN O=C(Cc1noc2ccccc21)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217622718 136203497 /nfs/dbraw/zinc/20/34/97/136203497.db2.gz IHKLILBWJOCEPG-UHFFFAOYSA-N 0 0 379.420 1.582 40 70 GDIBRN COc1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000218426960 534076156 /nfs/dbraw/zinc/07/61/56/534076156.db2.gz UOXPEIDWIJKBLK-UHFFFAOYSA-N 0 0 392.433 1.871 40 70 GDIBRN CCNS(=O)(=O)c1cc(C(=O)NC(C)(C)C)ccc1N1CCN(C)CC1 ZINC000216792605 535498344 /nfs/dbraw/zinc/49/83/44/535498344.db2.gz IDEMSZJLUYKDQF-UHFFFAOYSA-N 0 0 382.530 1.265 40 70 GDIBRN Cc1ccc(C(=O)NCc2ccncc2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216855952 570308311 /nfs/dbraw/zinc/30/83/11/570308311.db2.gz LADFTHIINVQXCJ-UHFFFAOYSA-N 0 0 388.493 1.256 40 70 GDIBRN COC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000216872322 211747465 /nfs/dbraw/zinc/74/74/65/211747465.db2.gz XXLYTZJKZAKARJ-GFCCVEGCSA-N 0 0 389.905 1.041 40 70 GDIBRN Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216855468 570308064 /nfs/dbraw/zinc/30/80/64/570308064.db2.gz LKTFASKCPYRZHD-LZLYRXPVSA-N 0 0 391.537 1.850 40 70 GDIBRN Cn1nc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc2c1=O ZINC000218063295 570324640 /nfs/dbraw/zinc/32/46/40/570324640.db2.gz OBLITNIFCQQLHI-UONOGXRCSA-N 0 0 376.416 1.355 40 70 GDIBRN O=C(CCc1nc(-c2ccncc2)no1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217578499 211749037 /nfs/dbraw/zinc/74/90/37/211749037.db2.gz JBZFWAZCRXUDFD-GOEBONIOSA-N 0 0 391.431 1.872 40 70 GDIBRN CCNS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1N1CCN(C)CC1 ZINC000216795169 535498612 /nfs/dbraw/zinc/49/86/12/535498612.db2.gz WTZUFPYQHUDFFK-UHFFFAOYSA-N 0 0 394.541 1.363 40 70 GDIBRN O=C(Cc1n[nH]c(=O)c2ccccc12)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000218060728 570324714 /nfs/dbraw/zinc/32/47/14/570324714.db2.gz MJXGNRGOCLRXCI-UONOGXRCSA-N 0 0 376.416 1.273 40 70 GDIBRN CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccccc2)no1)c1ccccc1 ZINC000218225921 570328381 /nfs/dbraw/zinc/32/83/81/570328381.db2.gz OWEQSHOZRYXJSP-UHFFFAOYSA-N 0 0 386.433 1.819 40 70 GDIBRN O=C(Cn1cnc2ccccc21)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217622482 136203467 /nfs/dbraw/zinc/20/34/67/136203467.db2.gz NUYFKZFZWCTBOZ-UHFFFAOYSA-N 0 0 378.436 1.248 40 70 GDIBRN Cc1ccc(C(=O)N2CCC[C@H](C)C2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216858835 570308300 /nfs/dbraw/zinc/30/83/00/570308300.db2.gz LNIBRVAJVNSYLN-HNNXBMFYSA-N 0 0 379.526 1.803 40 70 GDIBRN O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000218083564 570324929 /nfs/dbraw/zinc/32/49/29/570324929.db2.gz IPXLKMFBHIKCOU-IPMKNSEASA-N 0 0 391.471 1.843 40 70 GDIBRN O=C(c1ccc2nsnc2c1)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217619323 136203358 /nfs/dbraw/zinc/20/33/58/136203358.db2.gz VNUJPLPLEAAPJB-UHFFFAOYSA-N 0 0 382.449 1.516 40 70 GDIBRN Cc1ccc(S(=O)(=O)N2CCc3cnc(N4CCOCC4)nc3C2)cc1C ZINC000217624967 136203395 /nfs/dbraw/zinc/20/33/95/136203395.db2.gz HYKBIRRXPKSHPU-UHFFFAOYSA-N 0 0 388.493 1.677 40 70 GDIBRN Cc1ccc(CNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000218429016 533985887 /nfs/dbraw/zinc/98/58/87/533985887.db2.gz YAQOFCDPKHLCKI-UHFFFAOYSA-N 0 0 390.461 1.849 40 70 GDIBRN CC(C)OCCCNC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 ZINC000216885347 570308937 /nfs/dbraw/zinc/30/89/37/570308937.db2.gz WYGRPSBLCWVXKZ-UHFFFAOYSA-N 0 0 397.541 1.309 40 70 GDIBRN Cc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216858810 570308200 /nfs/dbraw/zinc/30/82/00/570308200.db2.gz LNIBRVAJVNSYLN-OAHLLOKOSA-N 0 0 379.526 1.803 40 70 GDIBRN COC(=O)[C@H](CCSC)NC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217532801 211748649 /nfs/dbraw/zinc/74/86/49/211748649.db2.gz UHKOZYRHRPPLCO-MJBXVCDLSA-N 0 0 395.550 1.437 40 70 GDIBRN O=C(Cn1cnc2sccc2c1=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217715837 211750291 /nfs/dbraw/zinc/75/02/91/211750291.db2.gz XZRFMEFFYCJWRO-QWHCGFSZSA-N 0 0 382.445 1.266 40 70 GDIBRN Cc1ccc(C(=O)NCCCOC(C)C)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216856917 570308219 /nfs/dbraw/zinc/30/82/19/570308219.db2.gz SJPORWSFKNERJA-UHFFFAOYSA-N 0 0 397.541 1.476 40 70 GDIBRN Cc1ccccc1CNC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000218428907 231031080 /nfs/dbraw/zinc/03/10/80/231031080.db2.gz KUYLHZIUBOUDEO-UHFFFAOYSA-N 0 0 390.461 1.849 40 70 GDIBRN O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCCc1ccc(F)cc1 ZINC000218325994 211759449 /nfs/dbraw/zinc/75/94/49/211759449.db2.gz KSQLBXTVGMEYOB-UHFFFAOYSA-N 0 0 376.409 1.719 40 70 GDIBRN O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217939781 211755993 /nfs/dbraw/zinc/75/59/93/211755993.db2.gz YLIRRIKVHBZMAG-BBWFWOEESA-N 0 0 377.444 1.847 40 70 GDIBRN CN1c2cc(C(=O)CN3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)ccc2OCC1=O ZINC000217558853 136203296 /nfs/dbraw/zinc/20/32/96/136203296.db2.gz NZAWQCXDHMTVRH-GOEBONIOSA-N 0 0 393.443 1.506 40 70 GDIBRN O=C(c1cc(-c2ccco2)n[nH]1)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217623499 136203482 /nfs/dbraw/zinc/20/34/82/136203482.db2.gz BWNCFIXXXOZMIB-UHFFFAOYSA-N 0 0 380.408 1.495 40 70 GDIBRN Cn1nc(CC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc2c1=O ZINC000217983438 212113591 /nfs/dbraw/zinc/11/35/91/212113591.db2.gz FBEQQARIGPYVFK-LSDHHAIUSA-N 0 0 390.443 1.284 40 70 GDIBRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCN(C)c2ccccc2)cc1 ZINC000218769632 570340784 /nfs/dbraw/zinc/34/07/84/570340784.db2.gz ZHTWZCZIVCBZSR-UHFFFAOYSA-N 0 0 390.509 1.795 40 70 GDIBRN CN(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000218425417 529996960 /nfs/dbraw/zinc/99/69/60/529996960.db2.gz JSWAIKHBIOWPDV-UHFFFAOYSA-N 0 0 390.461 1.882 40 70 GDIBRN CCOCCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C ZINC000216862700 570308600 /nfs/dbraw/zinc/30/86/00/570308600.db2.gz QMLLAWFYHSZKGS-UHFFFAOYSA-N 0 0 383.514 1.088 40 70 GDIBRN COc1ccc(CN(C)C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 ZINC000218415842 570333662 /nfs/dbraw/zinc/33/36/62/570333662.db2.gz IYJRARJUPXYSAF-UHFFFAOYSA-N 0 0 391.493 1.967 40 70 GDIBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccco1 ZINC000216861796 570308045 /nfs/dbraw/zinc/30/80/45/570308045.db2.gz QZDDJXROVRDWAE-UHFFFAOYSA-N 0 0 377.466 1.454 40 70 GDIBRN Cc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216855374 570308242 /nfs/dbraw/zinc/30/82/42/570308242.db2.gz ZQQRSRPJBXVULC-UHFFFAOYSA-N 0 0 377.466 1.454 40 70 GDIBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCC(C)CC1 ZINC000216861520 570308284 /nfs/dbraw/zinc/30/82/84/570308284.db2.gz OBAKFUJBYPALMY-UHFFFAOYSA-N 0 0 379.526 1.803 40 70 GDIBRN Cc1nnnn1-c1ccccc1C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000218020793 222584794 /nfs/dbraw/zinc/58/47/94/222584794.db2.gz ZXSSNBPBAKGCBW-LSDHHAIUSA-N 0 0 376.420 1.392 40 70 GDIBRN COC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000216872369 531027067 /nfs/dbraw/zinc/02/70/67/531027067.db2.gz XXLYTZJKZAKARJ-LBPRGKRZSA-N 0 0 389.905 1.041 40 70 GDIBRN CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000218425511 533377390 /nfs/dbraw/zinc/37/73/90/533377390.db2.gz SXLHHBOBXFFACA-UHFFFAOYSA-N 0 0 390.461 1.583 40 70 GDIBRN CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3ccncc3)cc2)CC1 ZINC000216884043 570309052 /nfs/dbraw/zinc/30/90/52/570309052.db2.gz VWQWKYBLWSYYGO-UHFFFAOYSA-N 0 0 388.493 1.089 40 70 GDIBRN CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCC3)c2)CC1 ZINC000216873858 531027459 /nfs/dbraw/zinc/02/74/59/531027459.db2.gz YUGRHEAYDKTYBQ-UHFFFAOYSA-N 0 0 385.917 1.949 40 70 GDIBRN O=C(COc1ccc(Cl)cc1)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217619648 136203385 /nfs/dbraw/zinc/20/33/85/136203385.db2.gz MNTGOCTXUMJGBI-UHFFFAOYSA-N 0 0 388.855 1.930 40 70 GDIBRN Cc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216853630 570308230 /nfs/dbraw/zinc/30/82/30/570308230.db2.gz CSZOFNIJRPXYSP-UHFFFAOYSA-N 0 0 379.526 1.994 40 70 GDIBRN CC(=O)Nc1ccc(CC(=O)N2CCc3cnc(N4CCOCC4)nc3C2)cc1 ZINC000217621222 136203338 /nfs/dbraw/zinc/20/33/38/136203338.db2.gz KMBHMHRRQXRZAX-UHFFFAOYSA-N 0 0 395.463 1.399 40 70 GDIBRN CS(=O)(=O)N(CC(=O)NCc1nc(-c2cccs2)no1)c1ccccc1 ZINC000218226709 570328335 /nfs/dbraw/zinc/32/83/35/570328335.db2.gz HFROXLDUNBDCIP-UHFFFAOYSA-N 0 0 392.462 1.881 40 70 GDIBRN CCOC(=O)Cc1csc(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)n1 ZINC000218427466 528917821 /nfs/dbraw/zinc/91/78/21/528917821.db2.gz SGURACSKEHCQQC-TXEJJXNPSA-N 0 0 378.458 1.680 40 70 GDIBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000216861866 570308246 /nfs/dbraw/zinc/30/82/46/570308246.db2.gz VOLQCLZXCSWMMI-FRQCXROJSA-N 0 0 391.537 1.850 40 70 GDIBRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1ccc(F)c(Cl)c1 ZINC000218350322 222587427 /nfs/dbraw/zinc/58/74/27/222587427.db2.gz BAMWMKBNOYSXOU-UHFFFAOYSA-N 0 0 399.831 1.983 40 70 GDIBRN COc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216783179 570306334 /nfs/dbraw/zinc/30/63/34/570306334.db2.gz MOIVYGDZYKIWFN-UHFFFAOYSA-N 0 0 395.525 1.694 40 70 GDIBRN O=C(CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)c1ccc2c(c1)NC(=O)CO2 ZINC000217566781 570318626 /nfs/dbraw/zinc/31/86/26/570318626.db2.gz RPOPXSJHBBAGIE-DZGCQCFKSA-N 0 0 379.416 1.481 40 70 GDIBRN O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217939859 222584018 /nfs/dbraw/zinc/58/40/18/222584018.db2.gz YLIRRIKVHBZMAG-GVDBMIGSSA-N 0 0 377.444 1.847 40 70 GDIBRN O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000218083478 570324919 /nfs/dbraw/zinc/32/49/19/570324919.db2.gz IPXLKMFBHIKCOU-OTWHNJEPSA-N 0 0 391.471 1.843 40 70 GDIBRN CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 ZINC000218212950 570942681 /nfs/dbraw/zinc/94/26/81/570942681.db2.gz VDHRQVYCQVOPFL-VNHYZAJKSA-N 0 0 394.468 1.589 40 70 GDIBRN COCCn1c(C)cc(C)c(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c1=O ZINC000218006657 570323862 /nfs/dbraw/zinc/32/38/62/570323862.db2.gz FLWSTSSLAUUOMA-DLBZAZTESA-N 0 0 397.475 1.533 40 70 GDIBRN Cc1ccc(OCCNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 ZINC000218417427 222587850 /nfs/dbraw/zinc/58/78/50/222587850.db2.gz XVYOMFQTFOVUCW-UHFFFAOYSA-N 0 0 391.493 1.803 40 70 GDIBRN O=C(c1ccc(Cn2cnnn2)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000218031547 212113823 /nfs/dbraw/zinc/11/38/23/212113823.db2.gz JGKJIFBQKJXCEU-DOTOQJQBSA-N 0 0 376.420 1.143 40 70 GDIBRN CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccco3)c2)CC1 ZINC000216876136 570308625 /nfs/dbraw/zinc/30/86/25/570308625.db2.gz AJKQNJXTSALJMX-UHFFFAOYSA-N 0 0 397.884 1.799 40 70 GDIBRN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NC[C@@H]3C[C@H]4C=C[C@@H]3C4)C2=O)cc1 ZINC000218109906 570325416 /nfs/dbraw/zinc/32/54/16/570325416.db2.gz YMMSOPCVJWSFRQ-ZMMAXQRCSA-N 0 0 397.475 1.877 40 70 GDIBRN COC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl ZINC000216880204 222578777 /nfs/dbraw/zinc/57/87/77/222578777.db2.gz XMVNJYTVRVQGMI-LBPRGKRZSA-N 0 0 389.905 1.041 40 70 GDIBRN CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 ZINC000218212888 570327862 /nfs/dbraw/zinc/32/78/62/570327862.db2.gz VDHRQVYCQVOPFL-UMVBOHGHSA-N 0 0 394.468 1.589 40 70 GDIBRN