smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000223644286 206005124 /nfs/dbraw/zinc/00/51/24/206005124.db2.gz CTEJYINAIUQBMG-UHFFFAOYSA-N 0 1 396.424 3.935 40 10 GHCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000002210878 206212055 /nfs/dbraw/zinc/21/20/55/206212055.db2.gz GMMISOORLXTWLH-MHWRWJLKSA-N 0 1 396.786 3.855 40 10 GHCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(Br)o1 ZINC000033785497 570646503 /nfs/dbraw/zinc/64/65/03/570646503.db2.gz MYEGASLIUCPBEO-VQHVLOKHSA-N 0 1 395.209 3.853 40 10 GHCBMN Cc1cccc(-n2cccc2/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c1 ZINC000015013874 570871841 /nfs/dbraw/zinc/87/18/41/570871841.db2.gz BUDXHUZGHISUJY-RGEXLXHISA-N 0 1 377.444 3.580 40 10 GHCBMN O=C(NN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S)c1cccs1 ZINC000409348857 231193678 /nfs/dbraw/zinc/19/36/78/231193678.db2.gz SWAGXSVZRYMUGX-RIYZIHGNSA-N 0 1 385.495 3.776 40 10 GHCBMN Cc1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000033320005 206097206 /nfs/dbraw/zinc/09/72/06/206097206.db2.gz JEOSHHADGPASFG-ATVHPVEESA-N 0 1 389.367 3.625 40 10 GHCBMN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc([N+](=O)[O-])c1O ZINC000113834994 533473526 /nfs/dbraw/zinc/47/35/26/533473526.db2.gz VFSAKXXVRBFOLU-NTEUORMPSA-N 0 1 394.474 3.843 40 10 GHCBMN CCc1cccc(CC)c1NC=C1C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000006198374 535877358 /nfs/dbraw/zinc/87/73/58/535877358.db2.gz NWEAWEOIEXVYHL-LGMDPLHJSA-N 0 1 379.485 3.555 40 10 GHCBMN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000217027349 570311975 /nfs/dbraw/zinc/31/19/75/570311975.db2.gz SJGYMUCWPAZYNE-QHCPKHFHSA-N 0 1 395.547 3.529 40 10 GHCBMN Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000004866355 570641474 /nfs/dbraw/zinc/64/14/74/570641474.db2.gz YPMUKGGDCGLBHG-LDADJPATSA-N 0 1 389.367 3.625 40 10 GHCBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000058822986 570648865 /nfs/dbraw/zinc/64/88/65/570648865.db2.gz KRNUMOMZMUUFPD-UHFFFAOYSA-N 0 1 386.791 3.517 40 10 GHCBMN COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc12 ZINC000001177699 570713395 /nfs/dbraw/zinc/71/33/95/570713395.db2.gz RKANHWWVUGDTAJ-QGOAFFKASA-N 0 1 378.428 3.643 40 10 GHCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409000354 231144727 /nfs/dbraw/zinc/14/47/27/231144727.db2.gz YQZSVJBJCKTALO-KGENOOAVSA-N 0 1 399.450 3.853 40 10 GHCBMN CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000409095184 231159201 /nfs/dbraw/zinc/15/92/01/231159201.db2.gz HKGUWRBQYIJLGT-MHWRWJLKSA-N 0 1 387.892 3.610 40 10 GHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1C ZINC000409226272 231183320 /nfs/dbraw/zinc/18/33/20/231183320.db2.gz MOVAAYOYFGJPJD-LDADJPATSA-N 0 1 394.496 3.958 40 10 GHCBMN CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C([O-])=C[N+]#N ZINC000077953797 570927250 /nfs/dbraw/zinc/92/72/50/570927250.db2.gz LCJFXSXAVBSADP-LJQANCHMSA-N 0 1 395.459 3.571 40 10 GHCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000226086944 856568023 /nfs/dbraw/zinc/56/80/23/856568023.db2.gz LJWZNGNRASYYGV-KPKJPENVSA-N 0 1 393.251 3.530 40 10 GHCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/C=C/c1ccco1 ZINC000409233100 231184700 /nfs/dbraw/zinc/18/47/00/231184700.db2.gz KEBKQVMXRZDKSX-BOAPOFAJSA-N 0 1 392.358 3.686 40 10 GHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000409249739 231187766 /nfs/dbraw/zinc/18/77/66/231187766.db2.gz VLWBRWAQTGAKFN-LDADJPATSA-N 0 1 380.469 3.650 40 10 GHCBMN CCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O ZINC000409347675 231193761 /nfs/dbraw/zinc/19/37/61/231193761.db2.gz QSKDLZBISFOAEN-GXDHUFHOSA-N 0 1 390.511 3.693 40 10 GHCBMN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1 ZINC000005394786 204130949 /nfs/dbraw/zinc/13/09/49/204130949.db2.gz SHSUEGBYZSGXMW-UYRXBGFRSA-N 0 1 381.863 3.792 40 10 GHCBMN CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000222975868 536045703 /nfs/dbraw/zinc/04/57/03/536045703.db2.gz KCBYKYCESRORSU-QFIPXVFZSA-N 0 1 395.547 3.529 40 10 GHCBMN N#Cc1ccccc1COc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000035112863 856552635 /nfs/dbraw/zinc/55/26/35/856552635.db2.gz ZEBXDXVKSYMRCS-STZFKDTASA-N 0 1 395.418 3.599 40 10 GHCBMN Cc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000408552412 231058166 /nfs/dbraw/zinc/05/81/66/231058166.db2.gz TUVQPWULOBBXEQ-LCYFTJDESA-N 0 1 389.839 3.531 40 10 GHCBMN CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000409233705 231184094 /nfs/dbraw/zinc/18/40/94/231184094.db2.gz HLNXKEVNYDKXEO-ACCUITESSA-N 0 1 386.860 3.570 40 10 GHCBMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC ZINC000223645145 206003949 /nfs/dbraw/zinc/00/39/49/206003949.db2.gz JHEXSHFXYJDIOP-UHFFFAOYSA-N 0 1 397.452 3.736 40 10 GHCBMN Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000225394755 206046040 /nfs/dbraw/zinc/04/60/40/206046040.db2.gz RTHBUSNMBVMCAV-UHFFFAOYSA-N 0 1 395.547 3.565 40 10 GHCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(C)c4ccccc34)C(=O)NC2=S)c1 ZINC000409244164 533671837 /nfs/dbraw/zinc/67/18/37/533671837.db2.gz YVBVNWDWNFWGCQ-GZTJUZNOSA-N 0 1 389.480 3.626 40 10 GHCBMN Cc1cccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000408553399 231058017 /nfs/dbraw/zinc/05/80/17/231058017.db2.gz YQCYCWFIFIKGMD-LCYFTJDESA-N 0 1 389.839 3.531 40 10 GHCBMN Cc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)C(=O)NC2=S)c(C)c1 ZINC000409137676 231170324 /nfs/dbraw/zinc/17/03/24/231170324.db2.gz XWBHJKQPGIPZIS-MHWRWJLKSA-N 0 1 375.453 3.616 40 10 GHCBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1O ZINC000059135785 570650160 /nfs/dbraw/zinc/65/01/60/570650160.db2.gz MKISPSABGCRBLC-FMIVXFBMSA-N 0 1 386.404 3.602 40 10 GHCBMN COc1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1 ZINC000409138275 231169783 /nfs/dbraw/zinc/16/97/83/231169783.db2.gz ZJTYXIJCEYLBTN-FFEFAENFSA-N 0 1 392.480 3.700 40 10 GHCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)NC2=S)cc1 ZINC000408967063 529662297 /nfs/dbraw/zinc/66/22/97/529662297.db2.gz PQPGALQKSUYIEI-UKTHLTGXSA-N 0 1 376.890 3.795 40 10 GHCBMN COc1ccc(N2CCC([N@@H+](CC(=O)[O-])Cc3cccc(F)c3F)CC2)cc1 ZINC000257325507 206179745 /nfs/dbraw/zinc/17/97/45/206179745.db2.gz WTFAUQJQYPHTKX-UHFFFAOYSA-N 0 1 390.430 3.529 40 10 GHCBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)o1 ZINC000409242242 528293832 /nfs/dbraw/zinc/29/38/32/528293832.db2.gz WCRUHBNYBPPCKE-FOWTUZBSSA-N 0 1 397.500 3.574 40 10 GHCBMN COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OC(C)C ZINC000033696056 856547955 /nfs/dbraw/zinc/54/79/55/856547955.db2.gz DZKOYKTUOQIMRP-YBEGLDIGSA-N 0 1 386.835 3.597 40 10 GHCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)cc3)C(=O)NC2=S)c(C)c1 ZINC000409139190 231169804 /nfs/dbraw/zinc/16/98/04/231169804.db2.gz BCGTYYQYOFORNZ-LDADJPATSA-N 0 1 394.496 3.922 40 10 GHCBMN O=C(NN1C(=O)/C(=C\c2ccc(O)c(Cl)c2)SC1=S)c1cccs1 ZINC000409347308 231193921 /nfs/dbraw/zinc/19/39/21/231193921.db2.gz PFAVDEPEKGRKGA-KPKJPENVSA-N 0 1 396.902 3.653 40 10 GHCBMN Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409238628 534456204 /nfs/dbraw/zinc/45/62/04/534456204.db2.gz LIBWYIZHZYVZPM-XYOKQWHBSA-N 0 1 396.415 3.907 40 10 GHCBMN C=C1N=C(SCC(C)C)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408989034 528616764 /nfs/dbraw/zinc/61/67/64/528616764.db2.gz JKMSIYLIVOGUSR-SFHVURJKSA-N 0 1 375.538 3.979 40 10 GHCBMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 ZINC000006416153 570743252 /nfs/dbraw/zinc/74/32/52/570743252.db2.gz FLBHJTOGOKNRMO-UHFFFAOYSA-N 0 1 386.473 3.912 40 10 GHCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccccc1 ZINC000408850786 231121806 /nfs/dbraw/zinc/12/18/06/231121806.db2.gz RDZZRGNNJPAARV-PKNBQFBNSA-N 0 1 377.252 3.825 40 10 GHCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000016448948 136201986 /nfs/dbraw/zinc/20/19/86/136201986.db2.gz FEEYXBKGLKOBTP-VLVOFSMPSA-N 0 1 397.387 3.962 40 10 GHCBMN COc1ccc(N2N=C(C)C(=C(C)Nc3ccc(OC)cc3OC)C2=O)cc1 ZINC000112121234 534021110 /nfs/dbraw/zinc/02/11/10/534021110.db2.gz FGSKHXVVCJJVQG-MOSHPQCFSA-N 0 1 381.432 3.821 40 10 GHCBMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)s1 ZINC000409249998 534248008 /nfs/dbraw/zinc/24/80/08/534248008.db2.gz VQZYGQWYBJRIEV-MDWZMJQESA-N 0 1 396.415 3.907 40 10 GHCBMN Cc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)cs1 ZINC000006681737 570671954 /nfs/dbraw/zinc/67/19/54/570671954.db2.gz FLIKSCRFZGNZTG-UHFFFAOYSA-N 0 1 388.470 3.815 40 10 GHCBMN CCOc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1O ZINC000038172130 856551630 /nfs/dbraw/zinc/55/16/30/856551630.db2.gz BYILYGDHFQYYAJ-WUXMJOGZSA-N 0 1 390.779 3.540 40 10 GHCBMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccccc1O ZINC000408722133 231105476 /nfs/dbraw/zinc/10/54/76/231105476.db2.gz FDJSNCXARXOEBL-YRNVUSSQSA-N 0 1 393.251 3.530 40 10 GHCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000059109235 570653895 /nfs/dbraw/zinc/65/38/95/570653895.db2.gz YPYRTFIMKLXAEV-LSCADSNKSA-N 0 1 399.491 3.919 40 10 GHCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)cc1 ZINC000107823992 856556337 /nfs/dbraw/zinc/55/63/37/856556337.db2.gz DQDBRJPIXLOYCF-STZFKDTASA-N 0 1 388.398 3.866 40 10 GHCBMN CCn1cc(/C=C2\C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)c2ccccc21 ZINC000226095680 206089615 /nfs/dbraw/zinc/08/96/15/206089615.db2.gz RVPBXQSJEIHRDO-OQLLNIDSSA-N 0 1 383.810 3.915 40 10 GHCBMN CCOC(=O)c1ccc(NC(C)=C2C(C)=NN(c3ccc(OC)cc3)C2=O)cc1 ZINC000112123343 528225246 /nfs/dbraw/zinc/22/52/46/528225246.db2.gz GIRWSXZMAIOBPI-ZHZULCJRSA-N 0 1 393.443 3.981 40 10 GHCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cccc(C(F)(F)F)c1 ZINC000005717345 570734377 /nfs/dbraw/zinc/73/43/77/570734377.db2.gz GKJSHZMWJBHXSC-FMIVXFBMSA-N 0 1 394.349 3.676 40 10 GHCBMN CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)C1=O ZINC000005947718 570736637 /nfs/dbraw/zinc/73/66/37/570736637.db2.gz RFZVVMIAKYQPFW-MHWRWJLKSA-N 0 1 396.403 3.633 40 10 GHCBMN Cc1cccc(C(=O)Oc2ccccc2/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000006450613 856543181 /nfs/dbraw/zinc/54/31/81/856543181.db2.gz TUNNEASSWDYTHL-HMMYKYKNSA-N 0 1 398.418 3.676 40 10 GHCBMN O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000223650783 206004207 /nfs/dbraw/zinc/00/42/07/206004207.db2.gz OPPOCHOHOHWJFJ-UHFFFAOYSA-N 0 1 382.397 3.627 40 10 GHCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC(C)C ZINC000409408525 533470371 /nfs/dbraw/zinc/47/03/71/533470371.db2.gz QZVQOTNASAWCNC-DHDCSXOGSA-N 0 1 386.835 3.597 40 10 GHCBMN Cc1cc(C)cc(CSCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000216928742 136203123 /nfs/dbraw/zinc/20/31/23/136203123.db2.gz SBTZKEZFBNYOPC-UHFFFAOYSA-N 0 1 397.588 3.605 40 10 GHCBMN CCOc1cccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)c1 ZINC000409347780 528627504 /nfs/dbraw/zinc/62/75/04/528627504.db2.gz RGXMXQWEZDUDSX-UVTDQMKNSA-N 0 1 390.511 3.693 40 10 GHCBMN CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000217024248 570311512 /nfs/dbraw/zinc/31/15/12/570311512.db2.gz XGXIRPGTNMESAA-IBGZPJMESA-N 0 1 395.547 3.646 40 10 GHCBMN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Br)cc(Cl)c1O ZINC000058865910 570648731 /nfs/dbraw/zinc/64/87/31/570648731.db2.gz IEHYVFAMAAQOOV-UHFFFAOYSA-N 0 1 387.613 3.562 40 10 GHCBMN CCOc1cc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc([N+](=O)[O-])c1O ZINC000036617132 570892943 /nfs/dbraw/zinc/89/29/43/570892943.db2.gz GHSWPHKVIRLWLU-NTUHNPAUSA-N 0 1 382.463 3.556 40 10 GHCBMN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000059475178 570657892 /nfs/dbraw/zinc/65/78/92/570657892.db2.gz SHSUEGBYZSGXMW-CPNJWEJPSA-N 0 1 381.863 3.792 40 10 GHCBMN CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C([O-])=C[N+]#N ZINC000390770384 570899800 /nfs/dbraw/zinc/89/98/00/570899800.db2.gz IUZBIAPAMJMEKV-LHSJRXKWSA-N 0 1 377.444 3.810 40 10 GHCBMN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)C(=O)NC2=S)cc1 ZINC000005907125 204156726 /nfs/dbraw/zinc/15/67/26/204156726.db2.gz RNAGMMKYUYYYFQ-WJDWOHSUSA-N 0 1 386.860 3.570 40 10 GHCBMN COc1ccc(NC(C)=C2C(C)=NN(c3ccc([N+](=O)[O-])cc3)C2=O)c(OC)c1 ZINC000112124247 533987474 /nfs/dbraw/zinc/98/74/74/533987474.db2.gz VZKVGWILDBNGTL-UNOMPAQXSA-N 0 1 396.403 3.721 40 10 GHCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OC(C)C)cc2)C(=O)NC1=S ZINC000409244975 534821580 /nfs/dbraw/zinc/82/15/80/534821580.db2.gz LNVAIOVPDLWJQU-SFQUDFHCSA-N 0 1 380.469 3.614 40 10 GHCBMN COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O ZINC000100296116 208374740 /nfs/dbraw/zinc/37/47/40/208374740.db2.gz JVVHPNKRXXLKBZ-XNTDXEJSSA-N 0 1 386.795 3.975 40 10 GHCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)NC2=S)c1 ZINC000409250297 533672113 /nfs/dbraw/zinc/67/21/13/533672113.db2.gz QKSWNAYYNQGXIG-XYOKQWHBSA-N 0 1 376.890 3.850 40 10 GHCBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000409022287 529191786 /nfs/dbraw/zinc/19/17/86/529191786.db2.gz MBDACTLCMVNFDC-FHXOWUIVSA-N 0 1 398.459 3.834 40 10 GHCBMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc4ccccc43)C2=O)c1 ZINC000008210242 570524592 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GHCBMN CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(F)cc2)C1=O ZINC000015013133 207040288 /nfs/dbraw/zinc/04/02/88/207040288.db2.gz SQFQNHXGCQXWSD-LVLBFHFTSA-N 0 1 398.459 3.834 40 10 GHCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000059109234 570653935 /nfs/dbraw/zinc/65/39/35/570653935.db2.gz YPYRTFIMKLXAEV-LPGQDOADSA-N 0 1 399.491 3.919 40 10 GHCBMN Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000216930769 136203270 /nfs/dbraw/zinc/20/32/70/136203270.db2.gz NKVFIQZQLOGFQT-SFHVURJKSA-N 0 1 383.561 3.544 40 10 GHCBMN O=C1NC(=O)C(=Cc2c(Cc3ccccc3Cl)ccc3ccccc32)C(=O)N1 ZINC000408885227 534785228 /nfs/dbraw/zinc/78/52/28/534785228.db2.gz XZERPKRCPIGPNH-UHFFFAOYSA-N 0 1 390.826 3.833 40 10 GHCBMN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000223005112 536044080 /nfs/dbraw/zinc/04/40/80/536044080.db2.gz DXDGDZFKMWKCOR-QHCPKHFHSA-N 0 1 395.547 3.529 40 10 GHCBMN Cc1ccccc1NC=C1C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000108032340 843296612 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O=C([O-])C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000514289615 560032337 /nfs/dbraw/zinc/03/23/37/560032337.db2.gz WSBFIOPZUANCBY-HOCLYGCPSA-N 0 1 397.450 3.563 40 10 biogenic,in-vitro GHCBMN O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccccc2O)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000514289615 560032339 /nfs/dbraw/zinc/03/23/39/560032339.db2.gz WSBFIOPZUANCBY-HOCLYGCPSA-N 0 1 397.450 3.563 40 10 biogenic,in-vitro GHCBMN O=C([O-])C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000514289615 560032340 /nfs/dbraw/zinc/03/23/40/560032340.db2.gz WSBFIOPZUANCBY-HOCLYGCPSA-N 0 1 397.450 3.563 40 10 biogenic,in-vitro GHCBMN CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1C ZINC000409014032 231146438 /nfs/dbraw/zinc/14/64/38/231146438.db2.gz OOWHOCUCVRQBTK-WOJGMQOQSA-N 0 1 381.501 3.573 40 10 GHCBMN CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O ZINC000409146236 231171126 /nfs/dbraw/zinc/17/11/26/231171126.db2.gz KFXUNOQOJCGSNO-FOWTUZBSSA-N 0 1 380.469 3.533 40 10 GHCBMN CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c1C ZINC000409101697 231160703 /nfs/dbraw/zinc/16/07/03/231160703.db2.gz QOBCTNAWVFFCFC-CXUHLZMHSA-N 0 1 387.892 3.610 40 10 GHCBMN CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1C ZINC000409102450 231160767 /nfs/dbraw/zinc/16/07/67/231160767.db2.gz ZTMDIHKADKSKDS-GZTJUZNOSA-N 0 1 381.501 3.573 40 10 GHCBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000409022288 529383056 /nfs/dbraw/zinc/38/30/56/529383056.db2.gz MBDACTLCMVNFDC-VBEHJTROSA-N 0 1 398.459 3.834 40 10 GHCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccccc3OC(C)C)C(=O)NC2=S)c1 ZINC000409235009 533670679 /nfs/dbraw/zinc/67/06/79/533670679.db2.gz AMNQPOOGPDFPBA-SFQUDFHCSA-N 0 1 394.496 3.922 40 10 GHCBMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)s1 ZINC000409068787 534247913 /nfs/dbraw/zinc/24/79/13/534247913.db2.gz VRDZOKPLRCOKLU-XYOKQWHBSA-N 0 1 376.890 3.850 40 10 GHCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccccc2OC(C)C)C(=O)NC1=S ZINC000409235481 534820707 /nfs/dbraw/zinc/82/07/07/534820707.db2.gz BLJIQUQSMIEHTD-FOWTUZBSSA-N 0 1 380.469 3.614 40 10 GHCBMN COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)c1 ZINC000223794968 570485307 /nfs/dbraw/zinc/48/53/07/570485307.db2.gz MUMRHRKDGBGTGP-UHFFFAOYSA-N 0 1 395.436 3.505 40 10 GHCBMN COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc12 ZINC000409149851 231172247 /nfs/dbraw/zinc/17/22/47/231172247.db2.gz SKYUOTDFZBQKNJ-CPNJWEJPSA-N 0 1 386.407 3.510 40 10 GHCBMN COc1ccc(/C=C2\SC(=S)N(CN3CCCCCC3)C2=O)cc1OC ZINC000016227140 210186578 /nfs/dbraw/zinc/18/65/78/210186578.db2.gz NFHIHECIVCVESB-ATVHPVEESA-N 0 1 392.546 3.739 40 10 GHCBMN CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C([O-])=C[N+]#N ZINC000390770386 570899862 /nfs/dbraw/zinc/89/98/62/570899862.db2.gz IUZBIAPAMJMEKV-SZNDQCEHSA-N 0 1 377.444 3.810 40 10 GHCBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1Cl ZINC000408722374 231105759 /nfs/dbraw/zinc/10/57/59/231105759.db2.gz HUIYIHQBDOAVLB-UKTHLTGXSA-N 0 1 377.252 3.825 40 10 GHCBMN Cc1cccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)C(=O)NC2=S)c1C ZINC000409148247 231172165 /nfs/dbraw/zinc/17/21/65/231172165.db2.gz PELSBHBYTMMMTB-GZTJUZNOSA-N 0 1 389.480 3.626 40 10 GHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)c1 ZINC000409234686 231184860 /nfs/dbraw/zinc/18/48/60/231184860.db2.gz XEFLXVOVVZXWRP-XDHOZWIPSA-N 0 1 394.496 3.958 40 10 GHCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccs1 ZINC000409239928 231185080 /nfs/dbraw/zinc/18/50/80/231185080.db2.gz ONBMCBFKIARFOR-XYOKQWHBSA-N 0 1 382.388 3.598 40 10 GHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1C(C)(C)C ZINC000409246594 231187676 /nfs/dbraw/zinc/18/76/76/231187676.db2.gz JHEGMJSVAXLXJV-SFQUDFHCSA-N 0 1 395.528 4.000 40 10 GHCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000108133431 856556034 /nfs/dbraw/zinc/55/60/34/856556034.db2.gz BFQYDEBUNFYGTK-AQTBWJFISA-N 0 1 397.356 3.958 40 10 GHCBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccsc1 ZINC000409235742 231185199 /nfs/dbraw/zinc/18/51/99/231185199.db2.gz QDHKSRDRGHTMFP-WUXMJOGZSA-N 0 1 382.388 3.598 40 10 GHCBMN CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C ZINC000409245362 231186186 /nfs/dbraw/zinc/18/61/86/231186186.db2.gz ROTCDXZDZAJKOA-GXDHUFHOSA-N 0 1 387.892 3.610 40 10 GHCBMN Cc1ccc(S(=O)(=O)Nc2ccc(C)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000003845297 570351571 /nfs/dbraw/zinc/35/15/71/570351571.db2.gz HZNFZVLMRXZAME-UHFFFAOYSA-N 0 1 391.448 3.880 40 10 GHCBMN CN(C)c1ccc(CN(CCCn2ccnc2)Cc2nc3ccccc3[nH]2)cc1 ZINC000012146978 570617277 /nfs/dbraw/zinc/61/72/77/570617277.db2.gz MVFZCHWTZXXQRV-UHFFFAOYSA-N 0 1 388.519 3.918 40 10 GHCBMN CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C([O-])=C[N+]#N ZINC000104841068 570723556 /nfs/dbraw/zinc/72/35/56/570723556.db2.gz VUKPUSJJOYTIRR-IBGZPJMESA-N 0 1 395.484 3.517 40 10 GHCBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)C(=O)NC2=S)cc1Cl ZINC000409242198 231186492 /nfs/dbraw/zinc/18/64/92/231186492.db2.gz VJWIYOPTRDITRM-YBEGLDIGSA-N 0 1 399.903 3.546 40 10 GHCBMN CCn1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21 ZINC000013546770 210067035 /nfs/dbraw/zinc/06/70/35/210067035.db2.gz UGZTYOLWEYGNBE-YVLHZVERSA-N 0 1 393.443 3.632 40 10 GHCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(OC(C)C)cc3)C(=O)NC2=S)c1 ZINC000409242175 533672556 /nfs/dbraw/zinc/67/25/56/533672556.db2.gz NFYCDYOWOPJMAC-LDADJPATSA-N 0 1 394.496 3.922 40 10 GHCBMN CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000012412857 570419199 /nfs/dbraw/zinc/41/91/99/570419199.db2.gz NCMUPEKWOMUHJR-XFFZJAGNSA-N 0 1 389.202 3.573 40 10 GHCBMN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C([O-])=C[N+]#N ZINC000102370823 570936622 /nfs/dbraw/zinc/93/66/22/570936622.db2.gz LCJFXSXAVBSADP-IBGZPJMESA-N 0 1 395.459 3.571 40 10 GHCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(OC(C)C)cc3)C(=O)NC2=S)c1C ZINC000409134749 231169468 /nfs/dbraw/zinc/16/94/68/231169468.db2.gz TXIVVYDRCKCVPY-LDADJPATSA-N 0 1 394.496 3.922 40 10 GHCBMN Cc1[nH]n(-c2cccc(C)c2)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408529842 528150709 /nfs/dbraw/zinc/15/07/09/528150709.db2.gz ICVQNDNURBWWFI-YVLHZVERSA-N 0 1 381.348 3.530 40 10 GHCBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OC(C)C ZINC000034868380 856550351 /nfs/dbraw/zinc/55/03/51/856550351.db2.gz DRTSHMREKLTVDD-UYRXBGFRSA-N 0 1 392.455 3.672 40 10 GHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1C ZINC000409230152 231184124 /nfs/dbraw/zinc/18/41/24/231184124.db2.gz BZYGTHMUXNDYBU-WOJGMQOQSA-N 0 1 381.501 3.597 40 10 GHCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000409247005 231187365 /nfs/dbraw/zinc/18/73/65/231187365.db2.gz FSWYJCLHQCMHTM-VQHVLOKHSA-N 0 1 383.281 3.886 40 10 GHCBMN Cc1ccc(-n2cccc2/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1C ZINC000015013870 210142704 /nfs/dbraw/zinc/14/27/04/210142704.db2.gz SRDVITAISUKQJD-ZHZULCJRSA-N 0 1 391.471 3.889 40 10 GHCBMN O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1O ZINC000005569764 570446853 /nfs/dbraw/zinc/44/68/53/570446853.db2.gz MNKZNRNUAJMKEY-SDQBBNPISA-N 0 1 383.618 3.814 40 10 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231122853 /nfs/dbraw/zinc/12/28/53/231122853.db2.gz KBHSAPFCLIFSMG-XMHGGMMESA-N 0 1 387.464 3.617 40 10 GHCBMN Cc1cc(C)cc(Cc2ccc3ccccc3c2C=C2C(=O)NC(=O)NC2=O)c1 ZINC000408867521 231124077 /nfs/dbraw/zinc/12/40/77/231124077.db2.gz LJDNEIDQKQADDC-UHFFFAOYSA-N 0 1 384.435 3.797 40 10 GHCBMN Cc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1Cl ZINC000225776192 222696139 /nfs/dbraw/zinc/69/61/39/222696139.db2.gz RWLIXKLFJCPWHM-UHFFFAOYSA-N 0 1 388.968 3.887 40 10 GHCBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(c2ccccc2)C1=O ZINC000408902121 528151956 /nfs/dbraw/zinc/15/19/56/528151956.db2.gz KJPBVTLVGOGHIJ-WLSWZUKCSA-N 0 1 393.493 3.974 40 10 GHCBMN Cc1ccc2[nH]c(C[C@H]3C[N@@H+](Cc4ccccc4O)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514288919 560033554 /nfs/dbraw/zinc/03/35/54/560033554.db2.gz LKSFCUNIADOOTK-WMZOPIPTSA-N 0 1 393.487 3.732 40 10 biogenic,in-vitro GHCBMN Cc1ccc2nc(C[C@H]3C[N@H+](Cc4ccccc4O)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514288919 560033555 /nfs/dbraw/zinc/03/35/55/560033555.db2.gz LKSFCUNIADOOTK-WMZOPIPTSA-N 0 1 393.487 3.732 40 10 biogenic,in-vitro GHCBMN Cc1ccc2nc(C[C@H]3C[N@@H+](Cc4ccccc4O)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514288919 560033556 /nfs/dbraw/zinc/03/35/56/560033556.db2.gz LKSFCUNIADOOTK-WMZOPIPTSA-N 0 1 393.487 3.732 40 10 biogenic,in-vitro GHCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)C(=O)NC2=S)cc1C ZINC000408818636 231118532 /nfs/dbraw/zinc/11/85/32/231118532.db2.gz PWCBKQMHULLFDJ-WOJGMQOQSA-N 0 1 389.480 3.626 40 10 GHCBMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 ZINC000409013451 231147111 /nfs/dbraw/zinc/14/71/11/231147111.db2.gz ABYBJIPEUNOXGI-SFQUDFHCSA-N 0 1 392.411 3.917 40 10 GHCBMN C=C1N=C(SCC(C)C)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408989033 528617740 /nfs/dbraw/zinc/61/77/40/528617740.db2.gz JKMSIYLIVOGUSR-GOSISDBHSA-N 0 1 375.538 3.979 40 10 GHCBMN COc1ccc(-n2[nH]c(C)c(C=Nc3c(C)cc(C)cc3[N+](=O)[O-])c2=O)cc1 ZINC000016267612 570920162 /nfs/dbraw/zinc/92/01/62/570920162.db2.gz MUWFNNTUCWYOIQ-BOPFTXTBSA-N 0 1 380.404 3.939 40 10 GHCBMN Cc1ccc(C(=O)Oc2ccccc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000033584803 856547512 /nfs/dbraw/zinc/54/75/12/856547512.db2.gz YWEUGVBINFXIPG-HMMYKYKNSA-N 0 1 398.418 3.676 40 10 GHCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(C(F)(F)F)c1 ZINC000111504728 231021384 /nfs/dbraw/zinc/02/13/84/231021384.db2.gz GGVNRDUEOMWHSO-ZROIWOOFSA-N 0 1 394.349 3.676 40 10 GHCBMN CC(C)Oc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000225777073 570616480 /nfs/dbraw/zinc/61/64/80/570616480.db2.gz RPQHTHHCAJXTEU-UHFFFAOYSA-N 0 1 398.576 3.712 40 10 GHCBMN CCN1C(=O)NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O ZINC000059109622 570653861 /nfs/dbraw/zinc/65/38/61/570653861.db2.gz WHEKMJGDNNEFHA-XYOKQWHBSA-N 0 1 379.199 3.735 40 10 GHCBMN Cc1c(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)c2ccccc2n1C ZINC000059302813 570655110 /nfs/dbraw/zinc/65/51/10/570655110.db2.gz IZHQFCZOESDDER-ATVHPVEESA-N 0 1 389.480 3.626 40 10 GHCBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1 ZINC000001098504 570987416 /nfs/dbraw/zinc/98/74/16/570987416.db2.gz XSMDNNPUUGUTQS-NTEUORMPSA-N 0 1 394.349 3.676 40 10 GHCBMN N#Cc1ccccc1COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000035132712 856551746 /nfs/dbraw/zinc/55/17/46/856551746.db2.gz AVTZMGTVEBMOOS-HMAPJEAMSA-N 0 1 395.418 3.599 40 10 GHCBMN CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O ZINC000409124322 231167117 /nfs/dbraw/zinc/16/71/17/231167117.db2.gz BAEAZGJSVLYXDC-FOWTUZBSSA-N 0 1 380.469 3.533 40 10 GHCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(=O)NC1=S ZINC000409108220 231162873 /nfs/dbraw/zinc/16/28/73/231162873.db2.gz SJXNMDAZKMPFOS-PTNGSMBKSA-N 0 1 399.903 3.546 40 10 GHCBMN O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)c1cccs1 ZINC000409342473 231192812 /nfs/dbraw/zinc/19/28/12/231192812.db2.gz FFNLLGJUZUGESO-XYOKQWHBSA-N 0 1 380.903 3.948 40 10 GHCBMN C[C@@H](N1C(=O)NC(=O)/C(=C\c2cccs2)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000016576084 221364480 /nfs/dbraw/zinc/36/44/80/221364480.db2.gz KFXYLMXZWGPGMO-OMJVHFJTSA-N 0 1 384.501 3.815 40 10 GHCBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(c2ccccc2)C1=O ZINC000408902120 528151261 /nfs/dbraw/zinc/15/12/61/528151261.db2.gz KJPBVTLVGOGHIJ-QRYYFKOISA-N 0 1 393.493 3.974 40 10 GHCBMN CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(C2CCCC2)C1=O ZINC000409196517 528624886 /nfs/dbraw/zinc/62/48/86/528624886.db2.gz ONPFPWFOFALAGZ-AQTBWJFISA-N 0 1 378.428 3.643 40 10 GHCBMN COc1ccc2ccccc2c1/C=C1\C(=O)NN(c2ccc(Cl)cc2)C1=O ZINC000000859648 570497939 /nfs/dbraw/zinc/49/79/39/570497939.db2.gz PYNCSKTWUGLVCT-LDADJPATSA-N 0 1 378.815 3.963 40 10 GHCBMN COc1ccc(N2CCC([N@@H+](CCCc3ccccc3)CC(=O)[O-])CC2)cc1 ZINC000257316478 570780307 /nfs/dbraw/zinc/78/03/07/570780307.db2.gz VFUDTZPVUGTILG-UHFFFAOYSA-N 0 1 382.504 3.683 40 10 GHCBMN O=C(NN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)c1cccs1 ZINC000409329406 231191117 /nfs/dbraw/zinc/19/11/17/231191117.db2.gz FKDGGOXCWQJFQC-XYOKQWHBSA-N 0 1 380.903 3.948 40 10 GHCBMN O=[N+]([O-])c1ccc(-c2c(-c3ccc(O)c(O)c3O)[nH]nc2C(F)(F)F)cc1 ZINC000004994957 212146372 /nfs/dbraw/zinc/14/63/72/212146372.db2.gz SYXZFDGFXLDTIC-UHFFFAOYSA-N 0 1 381.266 3.788 40 10 GHCBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)NC2=S)c1 ZINC000408966645 528659608 /nfs/dbraw/zinc/65/96/08/528659608.db2.gz NGVQKSQOBIZZHQ-UKTHLTGXSA-N 0 1 392.889 3.632 40 10 GHCBMN CC(C)Sc1ccccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000217037122 570312528 /nfs/dbraw/zinc/31/25/28/570312528.db2.gz JLGLEBKEHMNHIG-UHFFFAOYSA-N 0 1 383.561 3.869 40 10 GHCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccc(F)c1 ZINC000408856228 231122996 /nfs/dbraw/zinc/12/29/96/231122996.db2.gz JOMLCSIWBKGVKQ-DHZHZOJOSA-N 0 1 395.242 3.964 40 10 GHCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)C(=O)NC2=S)c1 ZINC000408812965 231117093 /nfs/dbraw/zinc/11/70/93/231117093.db2.gz CFPLUUWSFGNMOF-WOJGMQOQSA-N 0 1 389.480 3.626 40 10 GHCBMN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C([O-])=C[N+]#N ZINC000096330803 212156032 /nfs/dbraw/zinc/15/60/32/212156032.db2.gz IUZBIAPAMJMEKV-QKKBWIMNSA-N 0 1 377.444 3.810 40 10 GHCBMN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000223005052 535817741 /nfs/dbraw/zinc/81/77/41/535817741.db2.gz DXDGDZFKMWKCOR-HSZRJFAPSA-N 0 1 395.547 3.529 40 10 GHCBMN CCCCN1C(=O)/C(=C\c2cc(OCC)c(O)c([N+](=O)[O-])c2)SC1=S ZINC000036617151 570892901 /nfs/dbraw/zinc/89/29/01/570892901.db2.gz LCIKLDLSWGKZGG-UKTHLTGXSA-N 0 1 382.463 3.700 40 10 GHCBMN CCCCCCOc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl ZINC000408538402 528147301 /nfs/dbraw/zinc/14/73/01/528147301.db2.gz MHIMFDWLYNKODT-UHFFFAOYSA-N 0 1 385.247 3.702 40 10 GHCBMN CSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C([O-])=C[N+]#N ZINC000390755802 570900768 /nfs/dbraw/zinc/90/07/68/570900768.db2.gz VUKPUSJJOYTIRR-LJQANCHMSA-N 0 1 395.484 3.517 40 10 GHCBMN