smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(N2CCN(C(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)CC2)c1C ZINC000013681261 132353278 /nfs/dbraw/zinc/35/32/78/132353278.db2.gz ZHNCNCHSVZFLRS-UHFFFAOYSA-N -1 1 449.576 4.067 40 0 IIABMM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c1OC ZINC000015438774 525834631 /nfs/dbraw/zinc/83/46/31/525834631.db2.gz OGFRCUGCAPVNBJ-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM Cc1ccc(C(=O)NCCSCc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408548706 555849382 /nfs/dbraw/zinc/84/93/82/555849382.db2.gz SYRWYJRJNDPGBX-UHFFFAOYSA-N -1 1 440.590 4.459 40 0 IIABMM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000408564658 555918117 /nfs/dbraw/zinc/91/81/17/555918117.db2.gz ZWQRKCCHWJRMOT-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1OCC ZINC000408585404 555936009 /nfs/dbraw/zinc/93/60/09/555936009.db2.gz GJKFXUUGKSPWPK-UHFFFAOYSA-N -1 1 443.319 4.217 40 0 IIABMM CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408597275 555964719 /nfs/dbraw/zinc/96/47/19/555964719.db2.gz YIVQEICKFVLVME-GFCCVEGCSA-N -1 1 431.341 4.086 40 0 IIABMM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000408597371 555965013 /nfs/dbraw/zinc/96/50/13/555965013.db2.gz VDMIEGLRNJOSNC-UHFFFAOYSA-N -1 1 437.823 4.102 40 0 IIABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc3c(c2)OCO3)C(=O)[O-])n1 ZINC000408633257 556007589 /nfs/dbraw/zinc/00/75/89/556007589.db2.gz XHHYCUIIOYWYOZ-APSNUPSMSA-N -1 1 431.857 4.080 40 0 IIABMM COc1cc(OC)c(OC)cc1C=C(Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-] ZINC000408634098 556010518 /nfs/dbraw/zinc/01/05/18/556010518.db2.gz OXIRZGZDXCVGLJ-MFOYZWKCSA-N -1 1 447.900 4.369 40 0 IIABMM CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc1)C2=O ZINC000408720991 556148017 /nfs/dbraw/zinc/14/80/17/556148017.db2.gz CHQHVORUCPRAFS-PGRDOPGGSA-N -1 1 446.956 4.457 40 0 IIABMM COc1cc(I)c(-c2nc3sc(C)c(C)c3c(=O)[n-]2)cc1OC ZINC000408735077 556201467 /nfs/dbraw/zinc/20/14/67/556201467.db2.gz NPSKGZXPXPWENK-UHFFFAOYSA-N -1 1 442.278 4.303 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2C)cc1 ZINC000010113037 556326559 /nfs/dbraw/zinc/32/65/59/556326559.db2.gz MRBOPSPTUGCHPE-UHFFFAOYSA-N -1 1 438.505 4.128 40 0 IIABMM CCOc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000030751439 556503223 /nfs/dbraw/zinc/50/32/23/556503223.db2.gz WUAJMGMUKFAVIB-UHFFFAOYSA-N -1 1 438.549 4.433 40 0 IIABMM Cc1ccc(C(=O)NCCSCc2ccco2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000013678969 556555687 /nfs/dbraw/zinc/55/56/87/556555687.db2.gz ZAYJOQAJPNRYEW-UHFFFAOYSA-N -1 1 430.551 4.052 40 0 IIABMM O=C(NCc1cccc(C(F)(F)F)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000036321817 556596847 /nfs/dbraw/zinc/59/68/47/556596847.db2.gz DPEREROOORKSQI-UHFFFAOYSA-N -1 1 434.439 4.436 40 0 IIABMM O=C1N[C@@H](c2ccc(Cl)c(Cl)c2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000036419436 556598076 /nfs/dbraw/zinc/59/80/76/556598076.db2.gz TVXBNNHLJSPBRH-ZQIUZPCESA-N -1 1 433.213 4.097 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCSCc3ccco3)c2)cc1 ZINC000018076037 556682943 /nfs/dbraw/zinc/68/29/43/556682943.db2.gz LMOVSOLROICPFK-UHFFFAOYSA-N -1 1 430.551 4.052 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c2)cc1 ZINC000018104927 556683928 /nfs/dbraw/zinc/68/39/28/556683928.db2.gz CAEMMDFKELXARZ-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM COc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000408926035 556892170 /nfs/dbraw/zinc/89/21/70/556892170.db2.gz NBBCSAZUSCVYMR-UHFFFAOYSA-N -1 1 442.562 4.368 40 0 IIABMM Cc1nnc([N-]c2cccc(C3CCN(S(=O)(=O)c4ccccc4Cl)CC3)n2)s1 ZINC000072376157 556954296 /nfs/dbraw/zinc/95/42/96/556954296.db2.gz HJIUSKZFBCAMNK-UHFFFAOYSA-N -1 1 449.989 4.207 40 0 IIABMM COc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000409411284 557104217 /nfs/dbraw/zinc/10/42/17/557104217.db2.gz VXDGHEBKGZAPJW-UHFFFAOYSA-N -1 1 438.549 4.085 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c1 ZINC000020766850 557128951 /nfs/dbraw/zinc/12/89/51/557128951.db2.gz ORTQRRLQPFEFBJ-UHFFFAOYSA-N -1 1 440.496 4.228 40 0 IIABMM O=c1nc(C(F)(F)F)cc(C=Cc2cc(Br)cc(Br)c2[O-])[nH]1 ZINC000003819999 557139677 /nfs/dbraw/zinc/13/96/77/557139677.db2.gz OUPFHFSTWBESGL-OWOJBTEDSA-N -1 1 440.013 4.190 40 0 IIABMM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000010112354 557204902 /nfs/dbraw/zinc/20/49/02/557204902.db2.gz NRLZXLMKQZGLTO-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM CC(=O)Nc1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010314423 557215835 /nfs/dbraw/zinc/21/58/35/557215835.db2.gz QPHGSSJSQAJPJO-UHFFFAOYSA-N -1 1 437.521 4.315 40 0 IIABMM CCC(=O)N1CCc2nc3cc([C@@H]4CCCC[N@H+]4Cc4ccc(C)c(C)c4)[n-]n3c(=O)c2C1 ZINC000100243240 557255687 /nfs/dbraw/zinc/25/56/87/557255687.db2.gz FOPLRSJUEQXIOJ-QHCPKHFHSA-N -1 1 447.583 4.074 40 0 IIABMM CC(C)c1nc(Cc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)no1 ZINC000222987476 557412459 /nfs/dbraw/zinc/41/24/59/557412459.db2.gz GLMPKUMVLGJYCM-UHFFFAOYSA-N -1 1 436.331 4.347 40 0 IIABMM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000136132428 557459586 /nfs/dbraw/zinc/45/95/86/557459586.db2.gz PUCZXUVHKHVZFL-KMDXXIMOSA-N -1 1 444.487 4.063 40 0 IIABMM COC(=O)c1ccc(Nc2ccc(OC)cc2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223419335 557469930 /nfs/dbraw/zinc/46/99/30/557469930.db2.gz IDOZRAJRTOFKJG-UHFFFAOYSA-N -1 1 442.493 4.035 40 0 IIABMM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2N2CCC(C)CC2)cc1 ZINC000223427496 557471116 /nfs/dbraw/zinc/47/11/16/557471116.db2.gz KPDPTESALINFEK-UHFFFAOYSA-N -1 1 446.569 4.298 40 0 IIABMM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000016129518 557471694 /nfs/dbraw/zinc/47/16/94/557471694.db2.gz RQSAJPQGTAQSRV-UHFFFAOYSA-N -1 1 439.100 4.160 40 0 IIABMM CSc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000002695641 557521519 /nfs/dbraw/zinc/52/15/19/557521519.db2.gz TZDBEOMQHZLIMI-DAYGRLMNSA-N -1 1 444.862 4.166 40 0 IIABMM Cc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000223940466 557531681 /nfs/dbraw/zinc/53/16/81/557531681.db2.gz WLISVOYUUZJRAO-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCOCc2ccccc2)ccc1C ZINC000223940841 557531734 /nfs/dbraw/zinc/53/17/34/557531734.db2.gz PBPMCMCXFANBGK-UHFFFAOYSA-N -1 1 438.549 4.051 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCc3ccc(F)cc3)c2)cc1 ZINC000223958312 557534485 /nfs/dbraw/zinc/53/44/85/557534485.db2.gz KDCUEJZVRCZAMM-UHFFFAOYSA-N -1 1 426.513 4.298 40 0 IIABMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)cc3)cc2)cc1 ZINC000223993492 557540909 /nfs/dbraw/zinc/54/09/09/557540909.db2.gz IMRRISLOZGYEIT-UHFFFAOYSA-N -1 1 428.535 4.470 40 0 IIABMM CCOc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)c(C)c2)c1 ZINC000224014627 557544632 /nfs/dbraw/zinc/54/46/32/557544632.db2.gz ZUSQUNDLDSNQOB-UHFFFAOYSA-N -1 1 440.521 4.455 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccco3)c(Cl)c2)cc1 ZINC000224024918 557546873 /nfs/dbraw/zinc/54/68/73/557546873.db2.gz IAUAKCIUVQJVLC-UHFFFAOYSA-N -1 1 448.928 4.105 40 0 IIABMM CCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)s1 ZINC000224028317 557547324 /nfs/dbraw/zinc/54/73/24/557547324.db2.gz HQQKLXBDMWKTKO-UHFFFAOYSA-N -1 1 448.595 4.320 40 0 IIABMM CCOc1cccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224032995 557548271 /nfs/dbraw/zinc/54/82/71/557548271.db2.gz SNDRPXPZWBYTTM-UHFFFAOYSA-N -1 1 444.940 4.470 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)c2)cc1 ZINC000224071426 557555200 /nfs/dbraw/zinc/55/52/00/557555200.db2.gz LCJGXCPQTLZTKM-MNVSYLFESA-N -1 1 434.945 4.068 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3cccc(C)c3)c2C)cc1 ZINC000224080624 557557469 /nfs/dbraw/zinc/55/74/69/557557469.db2.gz MHVMBVNXIBRAHF-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM COc1cccc(CN(C)C(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000224103982 557561682 /nfs/dbraw/zinc/56/16/82/557561682.db2.gz YREYIDPXKLRPPV-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)c1 ZINC000224544448 557619649 /nfs/dbraw/zinc/61/96/49/557619649.db2.gz SZDLRPVGEQWZBP-OAHLLOKOSA-N -1 1 444.484 4.041 40 0 IIABMM Cc1cccc(C)c1NS(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2F)cc1 ZINC000224549098 557620958 /nfs/dbraw/zinc/62/09/58/557620958.db2.gz HSBGCLQQHXLUGS-UHFFFAOYSA-N -1 1 448.541 4.185 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3C)cc2)c1 ZINC000224575305 557626062 /nfs/dbraw/zinc/62/60/62/557626062.db2.gz LLKGVPQUPDXKPD-UHFFFAOYSA-N -1 1 440.521 4.130 40 0 IIABMM CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1 ZINC000224576681 557626333 /nfs/dbraw/zinc/62/63/33/557626333.db2.gz ROKDAEUMCTZTPZ-QFIPXVFZSA-N -1 1 440.521 4.292 40 0 IIABMM CCCn1c2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)cc2sc1=O ZINC000225721881 557768591 /nfs/dbraw/zinc/76/85/91/557768591.db2.gz YHBCOFNLZWSZNY-UHFFFAOYSA-N -1 1 427.345 4.036 40 0 IIABMM COc1ccc(N2C(=S)N=NC2c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000013533991 568828240 /nfs/dbraw/zinc/82/82/40/568828240.db2.gz PPHOGCLYHAVSAH-UHFFFAOYSA-N -1 1 438.534 4.032 40 0 IIABMM CC(=O)Nc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)c1 ZINC000010333321 569223436 /nfs/dbraw/zinc/22/34/36/569223436.db2.gz LPGJCVSPTLCEQZ-UHFFFAOYSA-N -1 1 437.521 4.315 40 0 IIABMM COc1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1OC ZINC000010365971 569223924 /nfs/dbraw/zinc/22/39/24/569223924.db2.gz YGOQLUSVZBMGJT-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM COc1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000033572912 569244655 /nfs/dbraw/zinc/24/46/55/569244655.db2.gz PQZQAXNGBZVCAV-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM COC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000107881064 569251541 /nfs/dbraw/zinc/25/15/41/569251541.db2.gz GXASSRULESIJFL-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000018166844 569285855 /nfs/dbraw/zinc/28/58/55/569285855.db2.gz BSHNXEWKJQWCMI-SGNDLWITSA-N -1 1 444.487 4.150 40 0 IIABMM O=C([O-])c1ccccc1[C@H]1c2c(O)n(-c3cccc(Cl)c3)c(O)c2ON1c1ccccc1 ZINC000009345828 569295742 /nfs/dbraw/zinc/29/57/42/569295742.db2.gz ZDTSWYWUPWCDBR-QHAWAJNXSA-N -1 1 448.862 4.089 40 0 IIABMM CC(=O)Nc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000020492704 519744386 /nfs/dbraw/zinc/74/43/86/519744386.db2.gz XGBWVWVUIJKRJZ-UHFFFAOYSA-N -1 1 443.912 4.352 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(F)cc3)ccc2C)c(C)c1 ZINC000020452322 525295360 /nfs/dbraw/zinc/29/53/60/525295360.db2.gz PDHUQPXNJHPOPU-UHFFFAOYSA-N -1 1 426.513 4.482 40 0 IIABMM CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408535789 555764959 /nfs/dbraw/zinc/76/49/59/555764959.db2.gz WLECFCNGQBNLPX-GFCCVEGCSA-N -1 1 431.341 4.088 40 0 IIABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1OCC ZINC000408587980 555938531 /nfs/dbraw/zinc/93/85/31/555938531.db2.gz VMOXCCRKXMTIIK-UHFFFAOYSA-N -1 1 432.420 4.473 40 0 IIABMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408602148 555971379 /nfs/dbraw/zinc/97/13/79/555971379.db2.gz HYWKWNPAKWNOFS-INIZCTEOSA-N -1 1 448.610 4.426 40 0 IIABMM COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000408680491 556074664 /nfs/dbraw/zinc/07/46/64/556074664.db2.gz MPLGGGISDFQSMI-KRWDZBQOSA-N -1 1 440.521 4.210 40 0 IIABMM O=C(Nc1ccc2c(c1)OCCO2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000030857837 556510473 /nfs/dbraw/zinc/51/04/73/556510473.db2.gz XKOSSHQAZLPYGF-UHFFFAOYSA-N -1 1 444.896 4.164 40 0 IIABMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)ccc21 ZINC000015243728 556513368 /nfs/dbraw/zinc/51/33/68/556513368.db2.gz OCWPBDOTFMCOHW-UHFFFAOYSA-N -1 1 432.851 4.459 40 0 IIABMM CCOc1ccccc1CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000013613580 556535380 /nfs/dbraw/zinc/53/53/80/556535380.db2.gz MMEPCTXDSJWOEM-UHFFFAOYSA-N -1 1 438.549 4.249 40 0 IIABMM CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000013649290 556545314 /nfs/dbraw/zinc/54/53/14/556545314.db2.gz DFMGYZCJXUAJNG-UHFFFAOYSA-N -1 1 438.549 4.433 40 0 IIABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 ZINC000038755556 556617816 /nfs/dbraw/zinc/61/78/16/556617816.db2.gz LVPHSQJYHZXUEH-UHFFFAOYSA-N -1 1 448.610 4.480 40 0 IIABMM COc1cccc(C=C2SC(=O)[N-]C2=O)c1OCC(=O)Nc1cccc2ccccc21 ZINC000016779084 556641049 /nfs/dbraw/zinc/64/10/49/556641049.db2.gz ASVRZLQLGSZZDQ-UNOMPAQXSA-N -1 1 434.473 4.190 40 0 IIABMM COc1ccccc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000018076474 556683328 /nfs/dbraw/zinc/68/33/28/556683328.db2.gz MUVALGURKMLRPR-UHFFFAOYSA-N -1 1 438.549 4.385 40 0 IIABMM CCOC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000060524990 556808113 /nfs/dbraw/zinc/80/81/13/556808113.db2.gz OVJPEUREORCNED-UHFFFAOYSA-N -1 1 442.468 4.056 40 0 IIABMM CCc1nnc([N-]c2cccc([C@@H]3CCCN3C(=O)COc3ccc(F)cc3)n2)s1 ZINC000072375607 556952085 /nfs/dbraw/zinc/95/20/85/556952085.db2.gz OVRAKCFJDDHGLQ-KRWDZBQOSA-N -1 1 427.505 4.121 40 0 IIABMM CCc1nnc([N-]c2cccc(C3CCN(CC(=O)Nc4ccc(F)cc4)CC3)n2)s1 ZINC000072376135 556954194 /nfs/dbraw/zinc/95/41/94/556954194.db2.gz WCFNUHJBXZADCY-UHFFFAOYSA-N -1 1 440.548 4.196 40 0 IIABMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 ZINC000020765856 557128133 /nfs/dbraw/zinc/12/81/33/557128133.db2.gz WJNWDCSHXBNJDG-UHFFFAOYSA-N -1 1 449.532 4.039 40 0 IIABMM COc1cccc(CNn2c(=S)[n-]nc2-c2ccncc2)c1OCc1ccccc1F ZINC000022110729 557178642 /nfs/dbraw/zinc/17/86/42/557178642.db2.gz FAIMWCWGEAGTJU-UHFFFAOYSA-N -1 1 437.500 4.473 40 0 IIABMM COC(=O)c1ccc(-c2ccc(CNn3c(=S)[n-]nc3-c3ccccc3OC)o2)cc1 ZINC000022111443 557179573 /nfs/dbraw/zinc/17/95/73/557179573.db2.gz CDCGPWVPOYYVAA-UHFFFAOYSA-N -1 1 436.493 4.407 40 0 IIABMM CC[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)cc(I)c2[O-])C1=O ZINC000409016544 557282150 /nfs/dbraw/zinc/28/21/50/557282150.db2.gz DIYKQRJLAXWQHK-AUEGDVLESA-N -1 1 437.686 4.485 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N3CCOc4ccccc43)cc2)cc1 ZINC000222875343 557396613 /nfs/dbraw/zinc/39/66/13/557396613.db2.gz FJWJDQXRTJCBGD-UHFFFAOYSA-N -1 1 436.533 4.154 40 0 IIABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Br)c(Cl)c3)ccc21 ZINC000222898562 557400429 /nfs/dbraw/zinc/40/04/29/557400429.db2.gz LBCGHYKPPDHXHU-UHFFFAOYSA-N -1 1 443.750 4.202 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2)c1 ZINC000014398399 557436306 /nfs/dbraw/zinc/43/63/06/557436306.db2.gz SIXOURROPCFIKJ-INIZCTEOSA-N -1 1 428.485 4.341 40 0 IIABMM COC(=O)c1ccc(Nc2ccc(OC)cc2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223411857 557468676 /nfs/dbraw/zinc/46/86/76/557468676.db2.gz YFYWIJIAQPJUHS-UHFFFAOYSA-N -1 1 426.494 4.335 40 0 IIABMM COc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000223994133 557541111 /nfs/dbraw/zinc/54/11/11/557541111.db2.gz VKLMPCGPPYPSNN-UHFFFAOYSA-N -1 1 442.562 4.148 40 0 IIABMM CCOc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)c(C)c2)cc1 ZINC000224010809 557543941 /nfs/dbraw/zinc/54/39/41/557543941.db2.gz WWLBICPCMRVFBF-UHFFFAOYSA-N -1 1 440.521 4.455 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000224023145 557546657 /nfs/dbraw/zinc/54/66/57/557546657.db2.gz VMWUFLHLBFFAKR-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000224025408 557546866 /nfs/dbraw/zinc/54/68/66/557546866.db2.gz NMAPKHUFUPJGMO-HSZRJFAPSA-N -1 1 436.533 4.303 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(SC)c3)c2)cc1 ZINC000224040574 557550181 /nfs/dbraw/zinc/55/01/81/557550181.db2.gz QPNKESDFMKZATD-UHFFFAOYSA-N -1 1 428.535 4.470 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCCc3ccco3)c2)cc1 ZINC000224064100 557553819 /nfs/dbraw/zinc/55/38/19/557553819.db2.gz HMVCRNGZDOBLGI-UHFFFAOYSA-N -1 1 432.929 4.405 40 0 IIABMM O=C(NCc1ccco1)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224066647 557554534 /nfs/dbraw/zinc/55/45/34/557554534.db2.gz RUYMVNBCMMGROT-UHFFFAOYSA-N -1 1 425.293 4.317 40 0 IIABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCOc1ccccc1Cl ZINC000224078310 557556881 /nfs/dbraw/zinc/55/68/81/557556881.db2.gz MFDWJUNTWZLOGT-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM CCOc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000224079295 557557096 /nfs/dbraw/zinc/55/70/96/557557096.db2.gz ZQTDUXBPQOOXJV-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3ccc(F)cc3)c2C)cc1 ZINC000224081824 557557716 /nfs/dbraw/zinc/55/77/16/557557716.db2.gz HXRZUSBRVZSGHS-UHFFFAOYSA-N -1 1 442.512 4.052 40 0 IIABMM Cc1ccc(OCCNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000224083895 557558333 /nfs/dbraw/zinc/55/83/33/557558333.db2.gz MOCUXYIIUSXKLL-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM COCc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)c1 ZINC000224326463 557592065 /nfs/dbraw/zinc/59/20/65/557592065.db2.gz USNSRQKTFIEIGT-UHFFFAOYSA-N -1 1 448.610 4.228 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccccc3)cc2)c1 ZINC000224544864 557619944 /nfs/dbraw/zinc/61/99/44/557619944.db2.gz BSDXQUMSWHOYLP-UHFFFAOYSA-N -1 1 440.521 4.294 40 0 IIABMM O=S(=O)(Cc1ccccc1Cl)[N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000224548731 557620915 /nfs/dbraw/zinc/62/09/15/557620915.db2.gz UYLSONQBFCUJSA-UHFFFAOYSA-N -1 1 436.942 4.083 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C)cc3)cc2)c1 ZINC000224553310 557621830 /nfs/dbraw/zinc/62/18/30/557621830.db2.gz SMSGEALAVHAGOL-KRWDZBQOSA-N -1 1 440.521 4.210 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1NC(C)=O ZINC000225175401 557696538 /nfs/dbraw/zinc/69/65/38/557696538.db2.gz OJBQOKPHLDOYAP-UHFFFAOYSA-N -1 1 427.551 4.154 40 0 IIABMM CCCSc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)s1 ZINC000225477290 557727521 /nfs/dbraw/zinc/72/75/21/557727521.db2.gz PCCBOAPBJLRQIW-UHFFFAOYSA-N -1 1 448.595 4.402 40 0 IIABMM CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)s1 ZINC000225668500 557760138 /nfs/dbraw/zinc/76/01/38/557760138.db2.gz NWWJFCXJFVVZIG-UHFFFAOYSA-N -1 1 448.595 4.238 40 0 IIABMM CC(C)n1c(=O)sc2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc21 ZINC000225702632 557766653 /nfs/dbraw/zinc/76/66/53/557766653.db2.gz JAKZUXVVGOUMNN-UHFFFAOYSA-N -1 1 427.345 4.207 40 0 IIABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 ZINC000225714467 557767474 /nfs/dbraw/zinc/76/74/74/557767474.db2.gz VNMOYHLYNZMJSU-UHFFFAOYSA-N -1 1 448.566 4.402 40 0 IIABMM CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCCN1Cc1ccccc1OCc1cccc(F)c1 ZINC000257302034 568712070 /nfs/dbraw/zinc/71/20/70/568712070.db2.gz SBCLYWIXFDAONS-FQEVSTJZSA-N -1 1 443.544 4.259 40 0 IIABMM CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCCN1Cc1ccccc1OCc1cccc(F)c1 ZINC000257302034 568712074 /nfs/dbraw/zinc/71/20/74/568712074.db2.gz SBCLYWIXFDAONS-FQEVSTJZSA-N -1 1 443.544 4.259 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2C)cc1 ZINC000017358338 569225928 /nfs/dbraw/zinc/22/59/28/569225928.db2.gz POBCQVAWYWIOCZ-UHFFFAOYSA-N -1 1 449.576 4.067 40 0 IIABMM O=C([O-])c1ccc(COc2ccc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)cc1 ZINC000033750920 569246501 /nfs/dbraw/zinc/24/65/01/569246501.db2.gz TUGWATNPAOUNKL-UDWIEESQSA-N -1 1 446.415 4.059 40 0 IIABMM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000018210486 569316075 /nfs/dbraw/zinc/31/60/75/569316075.db2.gz BFNZJMMKTNKZMB-SGNDLWITSA-N -1 1 444.487 4.063 40 0 IIABMM COc1ccccc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020488232 524435953 /nfs/dbraw/zinc/43/59/53/524435953.db2.gz JAPSUAXFWQQTLS-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM CC(C)CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408553893 555890817 /nfs/dbraw/zinc/89/08/17/555890817.db2.gz RERDSUBEYKWGRO-UHFFFAOYSA-N -1 1 445.368 4.335 40 0 IIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1)N1CCCCC1 ZINC000408562439 555905664 /nfs/dbraw/zinc/90/56/64/555905664.db2.gz PNGNNPNZHBXASP-UHFFFAOYSA-N -1 1 438.347 4.268 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCCC3)cc2)c1 ZINC000408589429 555940444 /nfs/dbraw/zinc/94/04/44/555940444.db2.gz HOBAUUSRPOJHPB-UHFFFAOYSA-N -1 1 446.569 4.104 40 0 IIABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OCC(=O)OC)cc3)ccc21 ZINC000408598302 555956911 /nfs/dbraw/zinc/95/69/11/555956911.db2.gz YXOPMWVIEDNURH-UHFFFAOYSA-N -1 1 438.505 4.167 40 0 IIABMM COc1ccc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])c(OC)c1 ZINC000408632235 556005689 /nfs/dbraw/zinc/00/56/89/556005689.db2.gz PDXMKZUNMATDLP-IUXPMGMMSA-N -1 1 447.900 4.369 40 0 IIABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc(OC)c1OC ZINC000408635338 556012813 /nfs/dbraw/zinc/01/28/13/556012813.db2.gz ZNRARTQKXBUZJH-YBEGLDIGSA-N -1 1 447.900 4.369 40 0 IIABMM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408636230 556018917 /nfs/dbraw/zinc/01/89/17/556018917.db2.gz MFXAKNLLLXHWOC-ZDUSSCGKSA-N -1 1 445.368 4.478 40 0 IIABMM CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c1)C2=O ZINC000408722968 556150416 /nfs/dbraw/zinc/15/04/16/556150416.db2.gz YMRNTJIQRUQOMT-PGRDOPGGSA-N -1 1 446.956 4.457 40 0 IIABMM CCOC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010328073 556331852 /nfs/dbraw/zinc/33/18/52/556331852.db2.gz VGVWNJOFQDYSNB-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM COc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(OC)cc1Cl ZINC000010332728 556332453 /nfs/dbraw/zinc/33/24/53/556332453.db2.gz QCBRJFHTGZUKLB-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 ZINC000014224018 556393802 /nfs/dbraw/zinc/39/38/02/556393802.db2.gz RIISKVGVRVVNPK-UHFFFAOYSA-N -1 1 430.551 4.213 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCSc3ccccc3)c2)cc1 ZINC000015136567 556505803 /nfs/dbraw/zinc/50/58/03/556505803.db2.gz WWELQFYBWZQDIS-UHFFFAOYSA-N -1 1 426.563 4.318 40 0 IIABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 ZINC000030867233 556512478 /nfs/dbraw/zinc/51/24/78/556512478.db2.gz PNGICGSSZAJSDG-UHFFFAOYSA-N -1 1 434.583 4.234 40 0 IIABMM CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC000015499533 556531342 /nfs/dbraw/zinc/53/13/42/556531342.db2.gz IRROYIKUEVXZID-UHFFFAOYSA-N -1 1 442.468 4.056 40 0 IIABMM O=C1N[C@@H](c2ccc(Cl)c(Cl)c2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000013597309 556532380 /nfs/dbraw/zinc/53/23/80/556532380.db2.gz TVXBNNHLJSPBRH-KEYYUXOJSA-N -1 1 433.213 4.097 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3ccco3)c2C)cc1 ZINC000013680666 556556288 /nfs/dbraw/zinc/55/62/88/556556288.db2.gz NYWDRIWTTALGTL-UHFFFAOYSA-N -1 1 444.578 4.360 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccco3)cc2C)cc1 ZINC000013682227 556557482 /nfs/dbraw/zinc/55/74/82/556557482.db2.gz KKJDZIWMZKOUIT-UHFFFAOYSA-N -1 1 444.578 4.360 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCCSCc3ccco3)c2)c1 ZINC000018076039 556682950 /nfs/dbraw/zinc/68/29/50/556682950.db2.gz PRECXFBHCCAXNR-UHFFFAOYSA-N -1 1 430.551 4.052 40 0 IIABMM O=C(NCCSc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000018214715 556687405 /nfs/dbraw/zinc/68/74/05/556687405.db2.gz BWUVBVCDKAOYTJ-UHFFFAOYSA-N -1 1 430.526 4.149 40 0 IIABMM CC(=O)c1ccc(NC(=O)CSc2nnc([N-]C(=O)c3c(F)cccc3F)s2)cc1 ZINC000008822700 556849044 /nfs/dbraw/zinc/84/90/44/556849044.db2.gz MZHKLKSGLRWOKY-UHFFFAOYSA-N -1 1 448.476 4.002 40 0 IIABMM Cc1cc(C)c2nc(Nc3nc(CSc4nc(C)cc(C)n4)cc(=O)[n-]3)nc(C)c2c1 ZINC000019817389 556920150 /nfs/dbraw/zinc/92/01/50/556920150.db2.gz ULTNKNCPVKPYNH-UHFFFAOYSA-N -1 1 433.541 4.081 40 0 IIABMM COc1cc(C=O)ccc1OCCOc1ccc(-c2nc3ccccc3c(=O)[n-]2)cc1OC ZINC000409264779 557038529 /nfs/dbraw/zinc/03/85/29/557038529.db2.gz QCRFTMBBDJNJQW-UHFFFAOYSA-N -1 1 446.459 4.290 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1Br ZINC000003581401 557138141 /nfs/dbraw/zinc/13/81/41/557138141.db2.gz QMYGQJRVNLSFFD-UHFFFAOYSA-N -1 1 435.137 4.329 40 0 IIABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)c1 ZINC000008810879 557173592 /nfs/dbraw/zinc/17/35/92/557173592.db2.gz CAICULWQNVMTQP-UHFFFAOYSA-N -1 1 430.432 4.221 40 0 IIABMM Cc1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013586028 557356040 /nfs/dbraw/zinc/35/60/40/557356040.db2.gz WEFYZAXUWJNVLT-UHFFFAOYSA-N -1 1 432.567 4.068 40 0 IIABMM COc1ccc(N(C)C(=O)CCc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000222877087 557396969 /nfs/dbraw/zinc/39/69/69/557396969.db2.gz VMIKKHQASPUTFR-UHFFFAOYSA-N -1 1 438.549 4.400 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 ZINC000014397320 557435469 /nfs/dbraw/zinc/43/54/69/557435469.db2.gz YEONDQLNVSDNRH-INIZCTEOSA-N -1 1 428.485 4.341 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1C(=O)N1CCCCCC1 ZINC000026120437 557451158 /nfs/dbraw/zinc/45/11/58/557451158.db2.gz XUUYDDNLNUTPNI-UHFFFAOYSA-N -1 1 446.594 4.428 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2C)cc1 ZINC000015269466 557460151 /nfs/dbraw/zinc/46/01/51/557460151.db2.gz KLOXZSSYJCWAKL-UHFFFAOYSA-N -1 1 438.505 4.128 40 0 IIABMM COC(=O)c1ccc(Nc2ccc(F)cc2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223419209 557470018 /nfs/dbraw/zinc/47/00/18/557470018.db2.gz TYEZSUOLWPOQNS-UHFFFAOYSA-N -1 1 430.457 4.165 40 0 IIABMM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC2CCCC2)cc1 ZINC000223426559 557471025 /nfs/dbraw/zinc/47/10/25/557471025.db2.gz MMUXDGCCKCQLAZ-UHFFFAOYSA-N -1 1 432.542 4.416 40 0 IIABMM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)n2)cc1 ZINC000223630406 557494028 /nfs/dbraw/zinc/49/40/28/557494028.db2.gz QMQHHESKAGBHAN-UHFFFAOYSA-N -1 1 442.324 4.062 40 0 IIABMM Cc1ccc(SCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000223917143 557528496 /nfs/dbraw/zinc/52/84/96/557528496.db2.gz JJWPSSRBBPYIJI-UHFFFAOYSA-N -1 1 426.563 4.318 40 0 IIABMM O=C(NCCSCc1ccccc1F)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223923005 557529502 /nfs/dbraw/zinc/52/95/02/557529502.db2.gz OYHKTOBNTBFLQW-UHFFFAOYSA-N -1 1 444.553 4.290 40 0 IIABMM COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223928628 557530045 /nfs/dbraw/zinc/53/00/45/557530045.db2.gz VNIPSIDQVVFCDP-HSZRJFAPSA-N -1 1 436.533 4.303 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCCSc2ccccc2)c1 ZINC000223934896 557531092 /nfs/dbraw/zinc/53/10/92/557531092.db2.gz ZENYVOJLYSIGRP-UHFFFAOYSA-N -1 1 426.563 4.318 40 0 IIABMM CCCSc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)s1 ZINC000223970365 557536595 /nfs/dbraw/zinc/53/65/95/557536595.db2.gz BQCFYZUWZVPAFK-UHFFFAOYSA-N -1 1 448.595 4.402 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccccc3Cl)cc2)cc1 ZINC000223972304 557536956 /nfs/dbraw/zinc/53/69/56/557536956.db2.gz QYCKZKXQBMFHDC-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM COc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223974122 557537247 /nfs/dbraw/zinc/53/72/47/557537247.db2.gz GNVFVCHXUUYILO-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM Cc1ccc(C)c(OCCNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000224007844 557543179 /nfs/dbraw/zinc/54/31/79/557543179.db2.gz SBYFREXZNQAJEV-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)c(Cl)c2)cc1 ZINC000224021403 557546127 /nfs/dbraw/zinc/54/61/27/557546127.db2.gz BOSAUAZVRJQNGC-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2Cl)cc1 ZINC000224022650 557546662 /nfs/dbraw/zinc/54/66/62/557546662.db2.gz HZRCMOWURYLXHP-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3ccccc3Cl)c2)cc1 ZINC000224027164 557547115 /nfs/dbraw/zinc/54/71/15/557547115.db2.gz UVOKDEQNMGDZRO-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)c3ccc(F)cc3)c2)cc1 ZINC000224043471 557550460 /nfs/dbraw/zinc/55/04/60/557550460.db2.gz ITTPURVISGKUPP-HNNXBMFYSA-N -1 1 428.485 4.126 40 0 IIABMM Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224051767 557552181 /nfs/dbraw/zinc/55/21/81/557552181.db2.gz SQJFNLLSLUKRPM-UHFFFAOYSA-N -1 1 444.896 4.430 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000224072655 557555441 /nfs/dbraw/zinc/55/54/41/557555441.db2.gz SIFAYUAKZULDCZ-UHFFFAOYSA-N -1 1 448.903 4.219 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3cc(C)cc(C)c3)c2)cc1 ZINC000224078117 557556853 /nfs/dbraw/zinc/55/68/53/557556853.db2.gz SCUUGUOPYPGNHH-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM COc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000224083594 557558159 /nfs/dbraw/zinc/55/81/59/557558159.db2.gz MFBJXDPKQWEKAL-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cccc(C)c3)cc2C)cc1 ZINC000224091777 557559600 /nfs/dbraw/zinc/55/96/00/557559600.db2.gz YGNBJMAZUVKLHA-UHFFFAOYSA-N -1 1 438.549 4.385 40 0 IIABMM COc1cccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000224093139 557559799 /nfs/dbraw/zinc/55/97/99/557559799.db2.gz BMLGEHXTXHLPJM-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(I)cc3)ccc2c1 ZINC000224129606 557564615 /nfs/dbraw/zinc/56/46/15/557564615.db2.gz DFPQRDBVCUMJMF-UHFFFAOYSA-N -1 1 439.274 4.254 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)c1 ZINC000224575915 557626147 /nfs/dbraw/zinc/62/61/47/557626147.db2.gz VBPWNWKAVLXGCM-UHFFFAOYSA-N -1 1 440.521 4.130 40 0 IIABMM CCCn1c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2sc1=O ZINC000225721924 557768527 /nfs/dbraw/zinc/76/85/27/557768527.db2.gz RLMIVNXWIPVSRE-UHFFFAOYSA-N -1 1 427.345 4.036 40 0 IIABMM CCc1nnc([N-]c2cccc([C@H]3CN(C(=O)c4ccc5ncccc5c4)CCO3)n2)s1 ZINC000257243144 568685275 /nfs/dbraw/zinc/68/52/75/568685275.db2.gz IFQGMHNICJRGDJ-LJQANCHMSA-N -1 1 446.536 4.001 40 0 IIABMM O=C(c1cccnc1)N1CCC(c2ccnc([N-]c3ncccc3C(F)(F)F)n2)CC1 ZINC000257267201 568696513 /nfs/dbraw/zinc/69/65/13/568696513.db2.gz MGIVRWZDRADZIU-UHFFFAOYSA-N -1 1 428.418 4.049 40 0 IIABMM COc1cc(C)c(CN2CCO[C@H](c3cccc([N-]c4nnc(C)s4)n3)C2)c(C)c1C ZINC000257308923 568715207 /nfs/dbraw/zinc/71/52/07/568715207.db2.gz TYTFXPOQFIDGLD-NRFANRHFSA-N -1 1 439.585 4.492 40 0 IIABMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1OC ZINC000010315089 569222713 /nfs/dbraw/zinc/22/27/13/569222713.db2.gz WKBKKNZHJMXDCA-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM COC(=O)c1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000010330006 569223275 /nfs/dbraw/zinc/22/32/75/569223275.db2.gz QKXGHRKBXKEYHV-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM COC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000108282281 569253050 /nfs/dbraw/zinc/25/30/50/569253050.db2.gz PPKJBWSHCIGJKV-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000108987995 569253308 /nfs/dbraw/zinc/25/33/08/569253308.db2.gz MXPMJARKWMXQGK-UHFFFAOYSA-N -1 1 445.368 4.479 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSC(C)(C)C)cc2C)cc1 ZINC000224012882 525080501 /nfs/dbraw/zinc/08/05/01/525080501.db2.gz TUURAORCAFSTEU-UHFFFAOYSA-N -1 1 436.599 4.066 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3C)c2)c1 ZINC000408562286 555905327 /nfs/dbraw/zinc/90/53/27/555905327.db2.gz YRJLVNBRZDBWQH-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1OCC ZINC000408585661 555936215 /nfs/dbraw/zinc/93/62/15/555936215.db2.gz HWUYXPMCOWIERM-UHFFFAOYSA-N -1 1 443.319 4.217 40 0 IIABMM CCOc1ccc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])cc1 ZINC000408633409 556007946 /nfs/dbraw/zinc/00/79/46/556007946.db2.gz MWBJRJQCQYYUKZ-NVMNQCDNSA-N -1 1 427.482 4.105 40 0 IIABMM Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000035362656 556083596 /nfs/dbraw/zinc/08/35/96/556083596.db2.gz UYUXSKLNXAVGID-VXLYETTFSA-N -1 1 447.447 4.196 40 0 IIABMM Cc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1N1CCCC1=O ZINC000011486697 556341533 /nfs/dbraw/zinc/34/15/33/556341533.db2.gz DSQQFHDBYAYHQQ-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccc(F)cc3)cc2)cc1 ZINC000013647001 556544217 /nfs/dbraw/zinc/54/42/17/556544217.db2.gz QKEAFPZCLAMZQT-UHFFFAOYSA-N -1 1 426.513 4.298 40 0 IIABMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(N2CCCC2)cc1 ZINC000013648820 556545046 /nfs/dbraw/zinc/54/50/46/556545046.db2.gz UHMJFKYEJCRYRY-UHFFFAOYSA-N -1 1 435.549 4.364 40 0 IIABMM Cc1ccc(-n2c(C)nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c3c2=S)c(C)c1 ZINC000040386901 556636116 /nfs/dbraw/zinc/63/61/16/556636116.db2.gz DFNUJLOTELWISV-UHFFFAOYSA-N -1 1 429.549 4.326 40 0 IIABMM COC(=O)c1cccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000044901276 556677644 /nfs/dbraw/zinc/67/76/44/556677644.db2.gz OVAKCCFZSHCILS-UHFFFAOYSA-N -1 1 444.896 4.180 40 0 IIABMM CCOc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000018074200 556683063 /nfs/dbraw/zinc/68/30/63/556683063.db2.gz LLSMKUSNADKSGC-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM O=C(COc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000058058911 556755962 /nfs/dbraw/zinc/75/59/62/556755962.db2.gz VHALIOKZAVPXAR-UHFFFAOYSA-N -1 1 434.876 4.297 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3F)cc2)cc1 ZINC000064476331 556824404 /nfs/dbraw/zinc/82/44/04/556824404.db2.gz ANDSKEVLSMENJJ-UHFFFAOYSA-N -1 1 430.526 4.278 40 0 IIABMM CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000409384043 557091821 /nfs/dbraw/zinc/09/18/21/557091821.db2.gz XNHAZJKKHQOWMX-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000409412138 557104866 /nfs/dbraw/zinc/10/48/66/557104866.db2.gz RYBXKYQTBMFRAF-UHFFFAOYSA-N -1 1 437.521 4.315 40 0 IIABMM O=C1N[C@@H](c2ccccc2Cl)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000100736338 557116950 /nfs/dbraw/zinc/11/69/50/557116950.db2.gz RWECVCFVBJZYFD-GRDNDAEWSA-N -1 1 433.213 4.097 40 0 IIABMM CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000023912561 557125842 /nfs/dbraw/zinc/12/58/42/557125842.db2.gz GEXBNESCSPKZBJ-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM COc1cccc(CNn2c(=S)[n-]nc2-c2ccncc2)c1OCc1ccc(F)cc1 ZINC000022110737 557178682 /nfs/dbraw/zinc/17/86/82/557178682.db2.gz FUXKSIHJXQEEPW-UHFFFAOYSA-N -1 1 437.500 4.473 40 0 IIABMM COC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)c1 ZINC000010314995 557216529 /nfs/dbraw/zinc/21/65/29/557216529.db2.gz FFAKCEPYWFKHSF-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM CC(=O)Nc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101228176 557280753 /nfs/dbraw/zinc/28/07/53/557280753.db2.gz DEFJWDXEEOVJRK-HJOGWXRNSA-N -1 1 441.487 4.005 40 0 IIABMM Cc1nc(C(N)=S)sc1C([O-])=CC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000102933524 557310129 /nfs/dbraw/zinc/31/01/29/557310129.db2.gz BRXAGMFXJUMMRM-UHFFFAOYSA-N -1 1 431.583 4.113 40 0 IIABMM Cc1nc(C(N)=S)sc1C(=O)C=C([O-])C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000102933524 557310130 /nfs/dbraw/zinc/31/01/30/557310130.db2.gz BRXAGMFXJUMMRM-UHFFFAOYSA-N -1 1 431.583 4.113 40 0 IIABMM O=C(NCCSCc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000014155497 557427181 /nfs/dbraw/zinc/42/71/81/557427181.db2.gz VCHGLTJVJFLRSV-UHFFFAOYSA-N -1 1 426.563 4.151 40 0 IIABMM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000223630330 557494085 /nfs/dbraw/zinc/49/40/85/557494085.db2.gz SYFFRUHNBFGGPS-UHFFFAOYSA-N -1 1 432.716 4.316 40 0 IIABMM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000223645836 557496305 /nfs/dbraw/zinc/49/63/05/557496305.db2.gz LZSQCLNHQDKKBG-UHFFFAOYSA-N -1 1 432.716 4.316 40 0 IIABMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)cc1 ZINC000223669464 557499670 /nfs/dbraw/zinc/49/96/70/557499670.db2.gz VUDXYMRJNGIDJQ-UHFFFAOYSA-N -1 1 433.576 4.183 40 0 IIABMM Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000223938182 557531300 /nfs/dbraw/zinc/53/13/00/557531300.db2.gz KORDGXIBJLOUBM-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ccc(F)cc2)ccc1C ZINC000223941567 557531816 /nfs/dbraw/zinc/53/18/16/557531816.db2.gz GGXVZAGJESSXSS-UHFFFAOYSA-N -1 1 442.512 4.052 40 0 IIABMM CC(C)Oc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC000223967031 557535975 /nfs/dbraw/zinc/53/59/75/557535975.db2.gz BTAHABRJEKPGKH-UHFFFAOYSA-N -1 1 442.512 4.344 40 0 IIABMM CC(C)Oc1cccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000223968336 557536138 /nfs/dbraw/zinc/53/61/38/557536138.db2.gz AOOFAPZYVWSCTK-UHFFFAOYSA-N -1 1 442.512 4.344 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3)ccc2C)c(C)c1 ZINC000223971471 557536631 /nfs/dbraw/zinc/53/66/31/557536631.db2.gz XVQFSMPXLQZOEW-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM CCOc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000223980946 557538522 /nfs/dbraw/zinc/53/85/22/557538522.db2.gz CUTUYSOXSXOFNF-UHFFFAOYSA-N -1 1 426.494 4.147 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2)cc1 ZINC000223987569 557539984 /nfs/dbraw/zinc/53/99/84/557539984.db2.gz LAFYLQFYIHXTIB-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1OC ZINC000223988998 557540249 /nfs/dbraw/zinc/54/02/49/557540249.db2.gz NURRZYHXMWYOHW-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(OC)c3)cc2C)cc1 ZINC000224010590 557543843 /nfs/dbraw/zinc/54/38/43/557543843.db2.gz PLSVSZLQSKIILG-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc2C)cc1 ZINC000224015124 557544625 /nfs/dbraw/zinc/54/46/25/557544625.db2.gz NRCWJHSVQCIZQU-INIZCTEOSA-N -1 1 442.512 4.435 40 0 IIABMM C[C@@H](COc1ccccc1)NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224063490 557553835 /nfs/dbraw/zinc/55/38/35/557553835.db2.gz LAQDAQDTEWNOCF-INIZCTEOSA-N -1 1 444.940 4.338 40 0 IIABMM COc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(OC)cc3)ccc2Cl)cc1 ZINC000224070481 557554975 /nfs/dbraw/zinc/55/49/75/557554975.db2.gz YZXJZRGYVOCHDS-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM Cc1ccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1C ZINC000224079489 557557117 /nfs/dbraw/zinc/55/71/17/557557117.db2.gz ZRZYUODKIGCISN-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3ccccc3C)c2C)cc1 ZINC000224080774 557557544 /nfs/dbraw/zinc/55/75/44/557557544.db2.gz VCUIVBLUKYKEGU-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM COc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)cc3)cc2)c1 ZINC000224086169 557558619 /nfs/dbraw/zinc/55/86/19/557558619.db2.gz NIUBWDGNUUIGCU-UHFFFAOYSA-N -1 1 442.562 4.148 40 0 IIABMM CCOc1ccc(CN(C)C(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000224100026 557560711 /nfs/dbraw/zinc/56/07/11/557560711.db2.gz MQTUILBSFLGNGO-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)cc1Cl ZINC000224521628 557616076 /nfs/dbraw/zinc/61/60/76/557616076.db2.gz ZSFYECBPNWBCCH-UHFFFAOYSA-N -1 1 430.913 4.467 40 0 IIABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2)cc1 ZINC000224529658 557617137 /nfs/dbraw/zinc/61/71/37/557617137.db2.gz USONFYOVZZFUFP-OVCLIPMQSA-N -1 1 438.505 4.157 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)c1 ZINC000224557126 557622911 /nfs/dbraw/zinc/62/29/11/557622911.db2.gz VFOMUOTXFJPHKG-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2)cc1 ZINC000224565824 557624447 /nfs/dbraw/zinc/62/44/47/557624447.db2.gz YGMDQXDAOMCKJQ-UHFFFAOYSA-N -1 1 426.494 4.147 40 0 IIABMM CCc1nnc([N-]c2cccc([C@H]3CN(C(=O)c4cc5c(cccc5C)[nH]4)CCO3)n2)s1 ZINC000257279355 568702006 /nfs/dbraw/zinc/70/20/06/568702006.db2.gz OGFROPOMUCILTH-LJQANCHMSA-N -1 1 448.552 4.243 40 0 IIABMM COC(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010315268 569222701 /nfs/dbraw/zinc/22/27/01/569222701.db2.gz GOBBSTMXTYAJPA-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM Cc1cc(C(=O)NCCSCc2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010360370 569223722 /nfs/dbraw/zinc/22/37/22/569223722.db2.gz GFVWTGGSSAXWSX-UHFFFAOYSA-N -1 1 440.590 4.459 40 0 IIABMM COc1ccc(OC)c(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000010364968 569223903 /nfs/dbraw/zinc/22/39/03/569223903.db2.gz MOOWFZHXMQLIJU-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1C(=O)N1CCOCC1 ZINC000026117674 569242492 /nfs/dbraw/zinc/24/24/92/569242492.db2.gz PJPXQMZZEMVXQF-UHFFFAOYSA-N -1 1 448.610 4.114 40 0 IIABMM COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000058058859 569249561 /nfs/dbraw/zinc/24/95/61/569249561.db2.gz TZLCOAOJFOGMEI-UHFFFAOYSA-N -1 1 446.912 4.167 40 0 IIABMM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018045348 569284284 /nfs/dbraw/zinc/28/42/84/569284284.db2.gz JQUZKCPXNCFLNV-HJOGWXRNSA-N -1 1 444.487 4.063 40 0 IIABMM COc1cccc(-c2nc3ccc(Br)cn3c2CN2CCC(C(=O)[O-])CC2)c1 ZINC000002528862 569407788 /nfs/dbraw/zinc/40/77/88/569407788.db2.gz UTTZMOOMDDUZID-UHFFFAOYSA-N -1 1 444.329 4.069 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c(c3)OCO4)c(Cl)c2)cc1 ZINC000020482617 525601447 /nfs/dbraw/zinc/60/14/47/525601447.db2.gz SBJUNGAUCVJDDF-UHFFFAOYSA-N -1 1 444.896 4.430 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3ccc(Cl)cc3)c2)cc1 ZINC000022655809 525612345 /nfs/dbraw/zinc/61/23/45/525612345.db2.gz VMQYWQHTIHKWQL-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM Cc1cc(Cl)ccc1NC(=O)Cc1sc(NC(=O)c2ccccc2Cl)nc1[O-] ZINC000001623977 555706816 /nfs/dbraw/zinc/70/68/16/555706816.db2.gz PMYLZPSZWBJYKF-HNNXBMFYSA-N -1 1 436.320 4.058 40 0 IIABMM COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000408547540 555802422 /nfs/dbraw/zinc/80/24/22/555802422.db2.gz ZNBPKAGSELZQQX-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1NC(=O)c1ccccc1 ZINC000408555181 555886630 /nfs/dbraw/zinc/88/66/30/555886630.db2.gz FEPQOSKXSQUSSC-UHFFFAOYSA-N -1 1 428.535 4.470 40 0 IIABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)ccc1OCC ZINC000408585841 555936639 /nfs/dbraw/zinc/93/66/39/555936639.db2.gz JWTSRNVTZYFKQO-UHFFFAOYSA-N -1 1 432.420 4.473 40 0 IIABMM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)c1ccccc1 ZINC000408589986 555947117 /nfs/dbraw/zinc/94/71/17/555947117.db2.gz INVQTKFDGTVJPX-MRXNPFEDSA-N -1 1 444.940 4.397 40 0 IIABMM CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000408600660 555968679 /nfs/dbraw/zinc/96/86/79/555968679.db2.gz BUGQBRFEFIRCBA-AWEZNQCLSA-N -1 1 444.475 4.046 40 0 IIABMM CCN(CC)c1ccc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])o1 ZINC000408631581 556003332 /nfs/dbraw/zinc/00/33/32/556003332.db2.gz FSXNTBNDMHIWIR-ATVHPVEESA-N -1 1 444.513 4.146 40 0 IIABMM COc1ccc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc1OC ZINC000408633256 556007600 /nfs/dbraw/zinc/00/76/00/556007600.db2.gz XGUBVJHPAKTEOM-MFOYZWKCSA-N -1 1 447.900 4.369 40 0 IIABMM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000408679499 556074089 /nfs/dbraw/zinc/07/40/89/556074089.db2.gz MOLDTNOOHSQFSN-FQEVSTJZSA-N -1 1 428.485 4.423 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(N4CCCC4=O)c3)c2)cc1 ZINC000015176356 556508209 /nfs/dbraw/zinc/50/82/09/556508209.db2.gz YKZPSORQXRXDEI-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM CCOC(=O)c1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000013669645 556550387 /nfs/dbraw/zinc/55/03/87/556550387.db2.gz HXVZJTUUZCJEQK-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM C[C@H]1Cc2ccccc2N1c1nc(N)c(C(=S)Nc2ccc3ccccc3c2)c(=O)[n-]1 ZINC000040385650 556635984 /nfs/dbraw/zinc/63/59/84/556635984.db2.gz VDRSSJLTQKHFPR-AWEZNQCLSA-N -1 1 427.533 4.376 40 0 IIABMM CCOC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000060524991 556808153 /nfs/dbraw/zinc/80/81/53/556808153.db2.gz XSNGRLOCXKIDIW-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM C=C1N=C(SCc2cccc(C(=O)[O-])c2)N[C@H](c2ccc(OC)cc2)C1C(=O)OCC ZINC000408866806 556873607 /nfs/dbraw/zinc/87/36/07/556873607.db2.gz JEGKUSKQXOTWEM-HXUWFJFHSA-N -1 1 440.521 4.164 40 0 IIABMM COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1 ZINC000409411176 557104075 /nfs/dbraw/zinc/10/40/75/557104075.db2.gz FDAFSPYBZVLPGB-UHFFFAOYSA-N -1 1 438.549 4.351 40 0 IIABMM COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102706715 557133243 /nfs/dbraw/zinc/13/32/43/557133243.db2.gz RHSRUBXZYIKUKT-KMDXXIMOSA-N -1 1 428.488 4.363 40 0 IIABMM O=C([O-])c1ccccc1[C@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000102746227 557307069 /nfs/dbraw/zinc/30/70/69/557307069.db2.gz KUSNJMJTTHZZMZ-HKBOAZHASA-N -1 1 448.862 4.089 40 0 IIABMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585935 557356125 /nfs/dbraw/zinc/35/61/25/557356125.db2.gz RUHQHSWRMNJEED-UHFFFAOYSA-N -1 1 438.958 4.105 40 0 IIABMM Cc1ccccc1CSCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000014153750 557424224 /nfs/dbraw/zinc/42/42/24/557424224.db2.gz QJLJSCCNTBYVRT-UHFFFAOYSA-N -1 1 440.590 4.459 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C(=O)N1CCC(C)CC1 ZINC000014396327 557434951 /nfs/dbraw/zinc/43/49/51/557434951.db2.gz BXQMZSWJSVMHDZ-UHFFFAOYSA-N -1 1 440.924 4.161 40 0 IIABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)c1 ZINC000223376834 557464762 /nfs/dbraw/zinc/46/47/62/557464762.db2.gz YQFBKFFGTWGNEJ-UHFFFAOYSA-N -1 1 434.517 4.201 40 0 IIABMM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NCc2ccco2)cc1 ZINC000223427045 557471011 /nfs/dbraw/zinc/47/10/11/557471011.db2.gz MLFBCXWFRHJOBA-UHFFFAOYSA-N -1 1 444.509 4.266 40 0 IIABMM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccc(C(=O)N4CCCCC4)cc3)ccc2O1 ZINC000223669102 557499701 /nfs/dbraw/zinc/49/97/01/557499701.db2.gz AAQZPDVFUBBYRY-UHFFFAOYSA-N -1 1 428.554 4.217 40 0 IIABMM CCOc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)c1 ZINC000223791190 557513918 /nfs/dbraw/zinc/51/39/18/557513918.db2.gz JZYWLWCTZWNCNC-UHFFFAOYSA-N -1 1 434.583 4.234 40 0 IIABMM O=C(NCCSCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223917304 557528535 /nfs/dbraw/zinc/52/85/35/557528535.db2.gz UHSPMMGJMCWDMV-UHFFFAOYSA-N -1 1 426.563 4.151 40 0 IIABMM Cc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC000223966658 557535931 /nfs/dbraw/zinc/53/59/31/557535931.db2.gz RPRKAIVLIYJFFN-UHFFFAOYSA-N -1 1 426.513 4.298 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3cccc(C)c3)cc2)cc1 ZINC000223984632 557539464 /nfs/dbraw/zinc/53/94/64/557539464.db2.gz WPBMFFQOXUCQHB-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)COc3ccccc3)cc2C)cc1 ZINC000224001382 557542140 /nfs/dbraw/zinc/54/21/40/557542140.db2.gz HQUFHNGEIOKRQJ-LJQANCHMSA-N -1 1 438.549 4.302 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)COc3ccccc3)cc2C)cc1 ZINC000224001319 557542167 /nfs/dbraw/zinc/54/21/67/557542167.db2.gz HQUFHNGEIOKRQJ-IBGZPJMESA-N -1 1 438.549 4.302 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2C)cc1 ZINC000224013981 557544404 /nfs/dbraw/zinc/54/44/04/557544404.db2.gz IGNZXOXKYBATPQ-UHFFFAOYSA-N -1 1 438.505 4.259 40 0 IIABMM COc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c(OC)c1 ZINC000224028788 557547714 /nfs/dbraw/zinc/54/77/14/557547714.db2.gz FUNPSBALXJYJNJ-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM Cc1ccc(C(=O)NCCCc2ccco2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224055256 557552688 /nfs/dbraw/zinc/55/26/88/557552688.db2.gz FPEZBWCASXLXRD-UHFFFAOYSA-N -1 1 432.929 4.405 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCc3ccc(F)cc3)ccc2C)cc1 ZINC000224085004 557558418 /nfs/dbraw/zinc/55/84/18/557558418.db2.gz NLNCAPNXXDRPIF-UHFFFAOYSA-N -1 1 426.513 4.216 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccc(F)cc3)cc2C)cc1 ZINC000224092167 557559498 /nfs/dbraw/zinc/55/94/98/557559498.db2.gz DISXXQAPLBGJJW-UHFFFAOYSA-N -1 1 442.512 4.052 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccccc3F)cc2C)cc1 ZINC000224091854 557559574 /nfs/dbraw/zinc/55/95/74/557559574.db2.gz WACDSTJCWYZFSH-UHFFFAOYSA-N -1 1 442.512 4.216 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccccc3)cc2)c1 ZINC000224535562 557617862 /nfs/dbraw/zinc/61/78/62/557617862.db2.gz GYWNDPNUGWKVPV-UHFFFAOYSA-N -1 1 442.562 4.368 40 0 IIABMM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c1OC ZINC000225044232 557682388 /nfs/dbraw/zinc/68/23/88/557682388.db2.gz PCBMYNNEPLZSPY-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM COc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000010333379 569223406 /nfs/dbraw/zinc/22/34/06/569223406.db2.gz PYDGNJKWTMFPAE-UHFFFAOYSA-N -1 1 438.549 4.385 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(F)cc3)ccc2C)cc1C ZINC000022522580 525295331 /nfs/dbraw/zinc/29/53/31/525295331.db2.gz MVFLHUAYYAPELT-UHFFFAOYSA-N -1 1 426.513 4.482 40 0 IIABMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408602149 555971348 /nfs/dbraw/zinc/97/13/48/555971348.db2.gz HYWKWNPAKWNOFS-MRXNPFEDSA-N -1 1 448.610 4.426 40 0 IIABMM Cc1ccc([C@H](CCC(=O)[O-])N2CCN(C(=O)c3cccc(Br)c3)CC2)cc1 ZINC000408609996 555980181 /nfs/dbraw/zinc/98/01/81/555980181.db2.gz PXTDRXMXCSALBM-FQEVSTJZSA-N -1 1 445.357 4.121 40 0 IIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccccc3OC(C)C)C(=O)[O-])n2)c1 ZINC000408634328 556014650 /nfs/dbraw/zinc/01/46/50/556014650.db2.gz ULVNHWYHOISDMV-ODLFYWEKSA-N -1 1 441.509 4.494 40 0 IIABMM COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000408681785 556081652 /nfs/dbraw/zinc/08/16/52/556081652.db2.gz ZEOVKJFUFMZDDS-QGZVFWFLSA-N -1 1 440.521 4.210 40 0 IIABMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Br)c(Cl)c3C)ccc21 ZINC000408686612 556087647 /nfs/dbraw/zinc/08/76/47/556087647.db2.gz SDZVXGQMUGUKHF-UHFFFAOYSA-N -1 1 443.750 4.121 40 0 IIABMM COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000013648293 556544746 /nfs/dbraw/zinc/54/47/46/556544746.db2.gz QYTZTFIBSCZFEE-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM Cc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000038757059 556618637 /nfs/dbraw/zinc/61/86/37/556618637.db2.gz CNGUCXBWRSLVIZ-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM COc1ccc(CCNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000044883937 556674785 /nfs/dbraw/zinc/67/47/85/556674785.db2.gz ORIUFDXKCQISBC-UHFFFAOYSA-N -1 1 444.940 4.122 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c2)cc1 ZINC000017605263 556678236 /nfs/dbraw/zinc/67/82/36/556678236.db2.gz TWIWBAOZLFLPCL-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM O=C([O-])c1ccc(-c2ccc(Br)cc2NS(=O)(=O)c2ccc(F)cc2)o1 ZINC000226353645 556684835 /nfs/dbraw/zinc/68/48/35/556684835.db2.gz SMPRTNUZNKUOSS-UHFFFAOYSA-N -1 1 440.246 4.347 40 0 IIABMM CSCC[C@H](NC(=O)c1oc2ccccc2c1C)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019566244 556806812 /nfs/dbraw/zinc/80/68/12/556806812.db2.gz GBLJAKMIIWPPJC-INIZCTEOSA-N -1 1 434.521 4.111 40 0 IIABMM O=S(=O)([N-]c1ccc(I)cc1)c1cccc(C(F)(F)F)c1 ZINC000070135751 556873810 /nfs/dbraw/zinc/87/38/10/556873810.db2.gz FAVSRZDICPXYNR-UHFFFAOYSA-N -1 1 427.185 4.111 40 0 IIABMM COC(=O)c1ccc(NCc2ccccc2OC)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223412760 557468596 /nfs/dbraw/zinc/46/85/96/557468596.db2.gz OQLHKLRBABESSW-UHFFFAOYSA-N -1 1 440.521 4.203 40 0 IIABMM COC(=O)c1ccc(N2CCc3ccccc3C2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223412514 557468729 /nfs/dbraw/zinc/46/87/29/557468729.db2.gz OKDNWDCPIWFOEY-UHFFFAOYSA-N -1 1 436.533 4.145 40 0 IIABMM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]Cc1nc(-c2ccccc2Cl)no1 ZINC000223654305 557497855 /nfs/dbraw/zinc/49/78/55/557497855.db2.gz HBFYGFBWODDRAR-UHFFFAOYSA-N -1 1 432.716 4.316 40 0 IIABMM CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000223923571 557529555 /nfs/dbraw/zinc/52/95/55/557529555.db2.gz LBIRCZQRSPRHNP-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223928566 557530038 /nfs/dbraw/zinc/53/00/38/557530038.db2.gz VNIPSIDQVVFCDP-QHCPKHFHSA-N -1 1 436.533 4.303 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 ZINC000223942672 557531921 /nfs/dbraw/zinc/53/19/21/557531921.db2.gz JYRVMHPGQREALG-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM Cc1cc(C(=O)NCCc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224002178 557542424 /nfs/dbraw/zinc/54/24/24/557542424.db2.gz HLUMHUUEGLUKHK-UHFFFAOYSA-N -1 1 428.941 4.422 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2C)cc1 ZINC000224015161 557544832 /nfs/dbraw/zinc/54/48/32/557544832.db2.gz NRCWJHSVQCIZQU-MRXNPFEDSA-N -1 1 442.512 4.435 40 0 IIABMM C[C@H](COc1ccccc1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000224016393 557545163 /nfs/dbraw/zinc/54/51/63/557545163.db2.gz DXINTGJFRULFRI-MRXNPFEDSA-N -1 1 444.940 4.338 40 0 IIABMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1N1CCCC1=O ZINC000224025143 557546890 /nfs/dbraw/zinc/54/68/90/557546890.db2.gz QDEWYJAIJQHWOA-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM COc1cccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224096552 557560253 /nfs/dbraw/zinc/56/02/53/557560253.db2.gz RHKWTKBVGMYPBJ-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)Cc3ccco3)c2)cc1 ZINC000224105833 557561977 /nfs/dbraw/zinc/56/19/77/557561977.db2.gz BYSXBVWZWTUPEF-UHFFFAOYSA-N -1 1 434.901 4.015 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)c1 ZINC000224529504 557617063 /nfs/dbraw/zinc/61/70/63/557617063.db2.gz FJOYLFFIMFOQQL-VGOFMYFVSA-N -1 1 426.469 4.287 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2)c1 ZINC000224544262 557619424 /nfs/dbraw/zinc/61/94/24/557619424.db2.gz MNDYDBAWJWVTES-UHFFFAOYSA-N -1 1 440.521 4.130 40 0 IIABMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)cc1 ZINC000225738950 557770892 /nfs/dbraw/zinc/77/08/92/557770892.db2.gz ROXPYBZCMAJREK-UHFFFAOYSA-N -1 1 440.546 4.311 40 0 IIABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)c1 ZINC000225743449 557771809 /nfs/dbraw/zinc/77/18/09/557771809.db2.gz LUKVIAXTQAZYIT-UHFFFAOYSA-N -1 1 438.530 4.115 40 0 IIABMM CCCN1CCN(C(=O)c2ncccc2[O-])C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000257286686 568705232 /nfs/dbraw/zinc/70/52/32/568705232.db2.gz PMOMZYWTHGZMIW-JOCHJYFZSA-N -1 1 443.547 4.008 40 0 IIABMM CCc1nnc([N-]c2cccc([C@@H]3CCCN(C(=O)c4sc(C)nc4C)C3)n2)s1 ZINC000257322756 568721043 /nfs/dbraw/zinc/72/10/43/568721043.db2.gz WHHINUFEIWRHSH-CQSZACIVSA-N -1 1 428.587 4.332 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000009886190 569220122 /nfs/dbraw/zinc/22/01/22/569220122.db2.gz LFPYYGMZALBTCP-NTUHNPAUSA-N -1 1 436.489 4.176 40 0 IIABMM COC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c1C ZINC000010361670 569223773 /nfs/dbraw/zinc/22/37/73/569223773.db2.gz GNXZVSYQMFKNNJ-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM COc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000026118271 569242472 /nfs/dbraw/zinc/24/24/72/569242472.db2.gz KPBJVDRYESZGHT-UHFFFAOYSA-N -1 1 434.583 4.090 40 0 IIABMM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000017886714 569269194 /nfs/dbraw/zinc/26/91/94/569269194.db2.gz BQFOUNRVJDTJHS-HJOGWXRNSA-N -1 1 444.487 4.069 40 0 IIABMM CC(C)(C)c1cc2nc3c(c(=O)n2[n-]1)CN(Cc1ccccc1OCc1ccccn1)CC3 ZINC000012219928 519006954 /nfs/dbraw/zinc/00/69/54/519006954.db2.gz ZSTXYQKJEMCJGO-UHFFFAOYSA-N -1 1 443.551 4.265 40 0 IIABMM COc1ccc(CNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000020451968 524065495 /nfs/dbraw/zinc/06/54/95/524065495.db2.gz ICBBLOLOGZVMPN-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM Cc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000020484158 525423459 /nfs/dbraw/zinc/42/34/59/525423459.db2.gz RMSWIRFHTFUVMJ-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM O=C(NCCSCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000018105640 526373406 /nfs/dbraw/zinc/37/34/06/526373406.db2.gz QQBNYNAXZWFDAZ-UHFFFAOYSA-N -1 1 444.553 4.290 40 0 IIABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1NC(=O)c1ccccc1 ZINC000408559535 555898943 /nfs/dbraw/zinc/89/89/43/555898943.db2.gz MHZNBISUMRAYPY-UHFFFAOYSA-N -1 1 426.494 4.147 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC(=O)Nc4ccccc43)ccc2C)c(C)c1 ZINC000408603761 555973029 /nfs/dbraw/zinc/97/30/29/555973029.db2.gz FWQFYOQVUUIVHI-UHFFFAOYSA-N -1 1 449.532 4.012 40 0 IIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(SC)cc3)C(=O)[O-])n2)c1 ZINC000408635078 556012210 /nfs/dbraw/zinc/01/22/10/556012210.db2.gz YOTVWWUTUWZMNN-IUXPMGMMSA-N -1 1 429.523 4.429 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)cc1C(=O)N1CCC(C)CC1 ZINC000408702069 556105392 /nfs/dbraw/zinc/10/53/92/556105392.db2.gz BCBBLJVMGNXNEX-UHFFFAOYSA-N -1 1 446.569 4.155 40 0 IIABMM O=C1N[C@@H](c2ccc(Cl)c(Cl)c2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000008915345 556232506 /nfs/dbraw/zinc/23/25/06/556232506.db2.gz TVXBNNHLJSPBRH-JKIFEVAISA-N -1 1 433.213 4.097 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2C)cc1 ZINC000010112948 556326218 /nfs/dbraw/zinc/32/62/18/556326218.db2.gz OEJBMAKSYLPXLR-UHFFFAOYSA-N -1 1 438.505 4.128 40 0 IIABMM COC(=O)c1ccc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000010331985 556332094 /nfs/dbraw/zinc/33/20/94/556332094.db2.gz KAXIGCZJSYCKMH-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)ccc1Cl ZINC000030752787 556503588 /nfs/dbraw/zinc/50/35/88/556503588.db2.gz ONHHCALTQLSAPN-UHFFFAOYSA-N -1 1 448.722 4.089 40 0 IIABMM CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000015499497 556531242 /nfs/dbraw/zinc/53/12/42/556531242.db2.gz YLBIGLSSAWZDNQ-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000100799151 556591231 /nfs/dbraw/zinc/59/12/31/556591231.db2.gz PUCZXUVHKHVZFL-SGNDLWITSA-N -1 1 444.487 4.063 40 0 IIABMM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c(OC)c1 ZINC000016635602 556618934 /nfs/dbraw/zinc/61/89/34/556618934.db2.gz TXODJQUYHYUARJ-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cccc4ccccc42)CC(=O)N3)cc1 ZINC000040400385 556643286 /nfs/dbraw/zinc/64/32/86/556643286.db2.gz OEDPAOBSAINYEU-GOSISDBHSA-N -1 1 439.475 4.040 40 0 IIABMM COc1ccc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000044902427 556678471 /nfs/dbraw/zinc/67/84/71/556678471.db2.gz PXGOEDDSVXVLGZ-UHFFFAOYSA-N -1 1 444.940 4.122 40 0 IIABMM CSCC[C@@H](NC(=O)c1ccc2c(C)c(C)[nH]c2c1)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019576882 556815226 /nfs/dbraw/zinc/81/52/26/556815226.db2.gz VFDYFIYQHMUUSJ-GOSISDBHSA-N -1 1 447.564 4.154 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000408921878 556891210 /nfs/dbraw/zinc/89/12/10/556891210.db2.gz JYICXQXLENAPRU-UHFFFAOYSA-N -1 1 430.551 4.213 40 0 IIABMM COc1ccccc1CNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000020036243 556970130 /nfs/dbraw/zinc/97/01/30/556970130.db2.gz NGKKISSEOZAOFD-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM COc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000216264593 557141607 /nfs/dbraw/zinc/14/16/07/557141607.db2.gz WVQCJQGSJVEOGW-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM COc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000216316411 557143033 /nfs/dbraw/zinc/14/30/33/557143033.db2.gz VNJZVZGLHZRYIA-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)cc(I)c2[O-])C1=O ZINC000409016545 557282135 /nfs/dbraw/zinc/28/21/35/557282135.db2.gz DIYKQRJLAXWQHK-IGCGCMMHSA-N -1 1 437.686 4.485 40 0 IIABMM CCCSc1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000222772239 557385032 /nfs/dbraw/zinc/38/50/32/557385032.db2.gz SEGHDSWBQUSPMD-UHFFFAOYSA-N -1 1 434.568 4.093 40 0 IIABMM COCCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000223424974 557470791 /nfs/dbraw/zinc/47/07/91/557470791.db2.gz XGGNUDCMWIKKAY-UHFFFAOYSA-N -1 1 440.949 4.154 40 0 IIABMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000223756643 557509629 /nfs/dbraw/zinc/50/96/29/557509629.db2.gz CMYQTRLLLZMDPA-UHFFFAOYSA-N -1 1 434.514 4.044 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2)cc1 ZINC000223930056 557530220 /nfs/dbraw/zinc/53/02/20/557530220.db2.gz XOPBLTOCSCOUPP-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCCSCc2ccccc2)c1 ZINC000223935046 557531063 /nfs/dbraw/zinc/53/10/63/557531063.db2.gz NCGSDNSIPGSUAM-UHFFFAOYSA-N -1 1 440.590 4.459 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H](C)COc2ccccc2C)c1 ZINC000223944550 557532146 /nfs/dbraw/zinc/53/21/46/557532146.db2.gz NYHADRQORAFWLR-IBGZPJMESA-N -1 1 438.549 4.302 40 0 IIABMM COc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000223951942 557533288 /nfs/dbraw/zinc/53/32/88/557533288.db2.gz MKXFRDBYJPTKTI-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c(OC)c1 ZINC000223973413 557537255 /nfs/dbraw/zinc/53/72/55/557537255.db2.gz BVKQMDQGRVPOHI-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc2)cc1 ZINC000223985618 557539469 /nfs/dbraw/zinc/53/94/69/557539469.db2.gz OXDRWVCMAHMNDW-HNNXBMFYSA-N -1 1 428.485 4.126 40 0 IIABMM CCc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000223989067 557540274 /nfs/dbraw/zinc/54/02/74/557540274.db2.gz YUFKWJMAXSJZFY-UHFFFAOYSA-N -1 1 440.521 4.319 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1OC ZINC000223989540 557540292 /nfs/dbraw/zinc/54/02/92/557540292.db2.gz FSIVUUSJRZKMAG-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM Cc1ccc(C)c(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c1 ZINC000224007602 557543223 /nfs/dbraw/zinc/54/32/23/557543223.db2.gz MMYCUMXNCXZMPM-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N3CCc4ccccc43)c2)cc1 ZINC000224072586 557555436 /nfs/dbraw/zinc/55/54/36/557555436.db2.gz LBIQECBAPVBTDL-UHFFFAOYSA-N -1 1 442.924 4.352 40 0 IIABMM Cc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1C ZINC000224089855 557559287 /nfs/dbraw/zinc/55/92/87/557559287.db2.gz UKEBBNDRZOLYJN-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000224557353 557622970 /nfs/dbraw/zinc/62/29/70/557622970.db2.gz SCTCIGRPRVRQNG-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM COc1ccc(CN(C)C(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010366091 569223998 /nfs/dbraw/zinc/22/39/98/569223998.db2.gz QGGLMMQLBOTXHP-UHFFFAOYSA-N -1 1 438.549 4.385 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)cc1C(=O)N1CCCC1 ZINC000026115356 569242316 /nfs/dbraw/zinc/24/23/16/569242316.db2.gz AUDAVPBETOIYHP-UHFFFAOYSA-N -1 1 434.583 4.233 40 0 IIABMM CCN(CC)c1ccc(-n2nc3cc(C)c([N-]S(=O)(=O)c4ccccc4)cc3n2)cc1 ZINC000020611034 520880692 /nfs/dbraw/zinc/88/06/92/520880692.db2.gz RHKHZPDTXIMEEZ-UHFFFAOYSA-N -1 1 435.553 4.376 40 0 IIABMM Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000015438802 525279488 /nfs/dbraw/zinc/27/94/88/525279488.db2.gz ZTKZRMCBRMISDG-UHFFFAOYSA-N -1 1 430.913 4.467 40 0 IIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)N1CCCCC1 ZINC000408556659 555894316 /nfs/dbraw/zinc/89/43/16/555894316.db2.gz JYIAGZIKPNIYJV-UHFFFAOYSA-N -1 1 443.352 4.186 40 0 IIABMM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000408575772 555926356 /nfs/dbraw/zinc/92/63/56/555926356.db2.gz QVPMGYCOMXHMAZ-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408589354 555940141 /nfs/dbraw/zinc/94/01/41/555940141.db2.gz HDOCJICLENJXBN-UHFFFAOYSA-N -1 1 430.913 4.467 40 0 IIABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1C ZINC000408596225 555963161 /nfs/dbraw/zinc/96/31/61/555963161.db2.gz RUEWUEIJDSCZNY-UHFFFAOYSA-N -1 1 437.823 4.020 40 0 IIABMM CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408596605 555964077 /nfs/dbraw/zinc/96/40/77/555964077.db2.gz WZXXTQHVKKNYAG-GFCCVEGCSA-N -1 1 431.341 4.086 40 0 IIABMM CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408597276 555964648 /nfs/dbraw/zinc/96/46/48/555964648.db2.gz YIVQEICKFVLVME-LBPRGKRZSA-N -1 1 431.341 4.086 40 0 IIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1cccc(F)c1 ZINC000408605860 555966645 /nfs/dbraw/zinc/96/66/45/555966645.db2.gz NSGBLEDVMVYYDN-UHFFFAOYSA-N -1 1 434.876 4.297 40 0 IIABMM Cc1ccc([C@H](CCC(=O)[O-])N2CCN(C(=O)c3ccccc3Br)CC2)cc1 ZINC000408606525 555966969 /nfs/dbraw/zinc/96/69/69/555966969.db2.gz IJRSICREUIMDGC-FQEVSTJZSA-N -1 1 445.357 4.121 40 0 IIABMM CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1 ZINC000408608803 555979027 /nfs/dbraw/zinc/97/90/27/555979027.db2.gz SJTJPINVKDJPMZ-INIZCTEOSA-N -1 1 442.562 4.152 40 0 IIABMM COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000408680493 556075251 /nfs/dbraw/zinc/07/52/51/556075251.db2.gz MPLGGGISDFQSMI-QGZVFWFLSA-N -1 1 440.521 4.210 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1C(=O)N1CCC(C)CC1 ZINC000408705576 556111604 /nfs/dbraw/zinc/11/16/04/556111604.db2.gz IXTSOYAKDXUSBQ-UHFFFAOYSA-N -1 1 436.961 4.330 40 0 IIABMM COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000408706428 556112848 /nfs/dbraw/zinc/11/28/48/556112848.db2.gz ROCFPYTZAKOGKK-QGZVFWFLSA-N -1 1 440.521 4.210 40 0 IIABMM O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)[N-]c2ccccc2)c2ccccc21 ZINC000408721006 556148004 /nfs/dbraw/zinc/14/80/04/556148004.db2.gz CJVSGLMRWPHFHE-UHFFFAOYSA-N -1 1 428.469 4.441 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCSCc3ccco3)ccc2C)cc1 ZINC000010112947 556326214 /nfs/dbraw/zinc/32/62/14/556326214.db2.gz JYJVCCSPXHOTRK-UHFFFAOYSA-N -1 1 444.578 4.360 40 0 IIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(F)cc3)ccc2C)c1 ZINC000030860799 556511083 /nfs/dbraw/zinc/51/10/83/556511083.db2.gz VMUCNOPOTFYHQT-UHFFFAOYSA-N -1 1 426.513 4.482 40 0 IIABMM COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2C)cc1 ZINC000100799380 556591530 /nfs/dbraw/zinc/59/15/30/556591530.db2.gz DDTYIZYWMBBEOU-HJOGWXRNSA-N -1 1 428.488 4.363 40 0 IIABMM COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000013648619 556707473 /nfs/dbraw/zinc/70/74/73/556707473.db2.gz RHSRUBXZYIKUKT-HJOGWXRNSA-N -1 1 428.488 4.363 40 0 IIABMM COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000058110831 556759078 /nfs/dbraw/zinc/75/90/78/556759078.db2.gz SNNYOLGJOAZNSM-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1cccc(Br)c1 ZINC000408917796 556888845 /nfs/dbraw/zinc/88/88/45/556888845.db2.gz BEKPHESWNREBMU-CXUHLZMHSA-N -1 1 448.294 4.391 40 0 IIABMM Cc1nnc([N-]c2cccc(C3CCN(S(=O)(=O)c4ccc(F)c(C)c4)CC3)n2)s1 ZINC000072376177 556954179 /nfs/dbraw/zinc/95/41/79/556954179.db2.gz OAMDCAWZHJRSMX-UHFFFAOYSA-N -1 1 447.561 4.001 40 0 IIABMM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c1 ZINC000409169745 556980480 /nfs/dbraw/zinc/98/04/80/556980480.db2.gz ZBCCDJBHILCTOQ-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1 ZINC000409227849 557014651 /nfs/dbraw/zinc/01/46/51/557014651.db2.gz RXMVBRVCWXAZIC-UHFFFAOYSA-N -1 1 429.519 4.190 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)c1 ZINC000020766092 557128140 /nfs/dbraw/zinc/12/81/40/557128140.db2.gz JEXJEHMWTYJTQY-UHFFFAOYSA-N -1 1 436.533 4.397 40 0 IIABMM COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102728743 557131879 /nfs/dbraw/zinc/13/18/79/557131879.db2.gz NCHDXFHHGQEGQN-KMDXXIMOSA-N -1 1 444.487 4.063 40 0 IIABMM CCCN1CCN(C(=O)c2cncc([O-])c2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585172772 557135267 /nfs/dbraw/zinc/13/52/67/557135267.db2.gz SEVMUYZXMTUIER-QHCPKHFHSA-N -1 1 443.547 4.008 40 0 IIABMM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1ccc2c(c1)OCO2 ZINC000010003743 557200352 /nfs/dbraw/zinc/20/03/52/557200352.db2.gz XQYAMIWPDXESFS-UHFFFAOYSA-N -1 1 433.445 4.056 40 0 IIABMM COc1cccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000010112613 557205157 /nfs/dbraw/zinc/20/51/57/557205157.db2.gz UMLZOMWTWHKLFI-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM COC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1C ZINC000010314377 557215851 /nfs/dbraw/zinc/21/58/51/557215851.db2.gz UQTJCAXCVKMQDR-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM CCOC(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010314968 557216041 /nfs/dbraw/zinc/21/60/41/557216041.db2.gz XOSXLPMEQMPXON-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1C(=O)N1CCCCCC1 ZINC000113939517 557310853 /nfs/dbraw/zinc/31/08/53/557310853.db2.gz AQEZBCPPCKLJHF-UHFFFAOYSA-N -1 1 434.583 4.234 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026119013 557449910 /nfs/dbraw/zinc/44/99/10/557449910.db2.gz LXDPWXCBJNSRHH-UHFFFAOYSA-N -1 1 446.594 4.284 40 0 IIABMM Cc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)c1 ZINC000223756454 557509666 /nfs/dbraw/zinc/50/96/66/557509666.db2.gz BPCCOFMPWSIKBQ-UHFFFAOYSA-N -1 1 430.551 4.213 40 0 IIABMM Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1C ZINC000223930472 557530278 /nfs/dbraw/zinc/53/02/78/557530278.db2.gz OPOIQEOWFCLOOR-LJQANCHMSA-N -1 1 438.549 4.302 40 0 IIABMM Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000223938106 557531353 /nfs/dbraw/zinc/53/13/53/557531353.db2.gz LNVPWCYUSCIAQL-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM CCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000223939173 557531602 /nfs/dbraw/zinc/53/16/02/557531602.db2.gz KQIQUJYXEHKNLU-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM COC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223973367 557537296 /nfs/dbraw/zinc/53/72/96/557537296.db2.gz GNTUWPBMZVKDFF-UHFFFAOYSA-N -1 1 444.896 4.180 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1OC ZINC000223988825 557540263 /nfs/dbraw/zinc/54/02/63/557540263.db2.gz CSOAPKWJSXKVQO-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1OC ZINC000223989307 557540284 /nfs/dbraw/zinc/54/02/84/557540284.db2.gz KYIOJFVBIPCYLU-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)cc1OC ZINC000223991324 557540721 /nfs/dbraw/zinc/54/07/21/557540721.db2.gz RNVFKALLPSIRGU-UHFFFAOYSA-N -1 1 448.447 4.035 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccco3)cc2)cc1 ZINC000223998137 557541908 /nfs/dbraw/zinc/54/19/08/557541908.db2.gz SFJBNKSBYASYTL-UHFFFAOYSA-N -1 1 430.551 4.165 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(OC)c3)c(Cl)c2)cc1 ZINC000224022575 557546366 /nfs/dbraw/zinc/54/63/66/557546366.db2.gz VNOIGWRFKILFLO-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM CSc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000224074986 557556031 /nfs/dbraw/zinc/55/60/31/557556031.db2.gz SAZCSKOPRPBBPW-UHFFFAOYSA-N -1 1 426.563 4.482 40 0 IIABMM CCOc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000224078349 557556806 /nfs/dbraw/zinc/55/68/06/557556806.db2.gz MWDRCRHMICNNTK-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM CCOc1ccccc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000224088920 557559081 /nfs/dbraw/zinc/55/90/81/557559081.db2.gz XDFCINKDOVWXFK-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM Cc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224088389 557559132 /nfs/dbraw/zinc/55/91/32/557559132.db2.gz DMNSWKYCWDXXLZ-UHFFFAOYSA-N -1 1 428.941 4.422 40 0 IIABMM CCOc1ccccc1CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000224095998 557560247 /nfs/dbraw/zinc/56/02/47/557560247.db2.gz PFUQFZSTJDNROY-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)cc1 ZINC000224105677 557561951 /nfs/dbraw/zinc/56/19/51/557561951.db2.gz FZVYGVJFWGIXSD-UHFFFAOYSA-N -1 1 448.903 4.219 40 0 IIABMM CCCSc1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)s1 ZINC000224185721 557572531 /nfs/dbraw/zinc/57/25/31/557572531.db2.gz YXANVSUQNPUDMT-UHFFFAOYSA-N -1 1 448.595 4.402 40 0 IIABMM COCc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)c1 ZINC000224328175 557592307 /nfs/dbraw/zinc/59/23/07/557592307.db2.gz LGLVIOHKGGSWBR-UHFFFAOYSA-N -1 1 448.610 4.372 40 0 IIABMM [O-]c1c(I)cc(Cc2ccccc2)cc1I ZINC000040542429 557719590 /nfs/dbraw/zinc/71/95/90/557719590.db2.gz OIFAWHXWXMEZEY-UHFFFAOYSA-N -1 1 436.030 4.192 40 0 IIABMM Cc1nnc([N-]c2cccc([C@@H]3CN(Cc4ccc5c(c4)CC(C)(C)O5)CCO3)n2)s1 ZINC000257304272 568713329 /nfs/dbraw/zinc/71/33/29/568713329.db2.gz SKVVNWWTKHGAAD-FQEVSTJZSA-N -1 1 437.569 4.272 40 0 IIABMM COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000018032536 569284193 /nfs/dbraw/zinc/28/41/93/569284193.db2.gz QCAPIHXQUSPMAK-SGNDLWITSA-N -1 1 444.487 4.063 40 0 IIABMM COc1ccc(-n2nc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3n2)cc1Cl ZINC000020610822 523349247 /nfs/dbraw/zinc/34/92/47/523349247.db2.gz VLOZAFOEJTZSKE-UHFFFAOYSA-N -1 1 428.901 4.192 40 0 IIABMM COc1ccccc1CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000020458767 524434793 /nfs/dbraw/zinc/43/47/93/524434793.db2.gz FNZAMJXRKKAREC-UHFFFAOYSA-N -1 1 438.549 4.385 40 0 IIABMM O=C(c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)N1CCc2ccccc2C1 ZINC000022518800 526625780 /nfs/dbraw/zinc/62/57/80/526625780.db2.gz CBGOZPLNQHLYAZ-UHFFFAOYSA-N -1 1 426.925 4.339 40 0 IIABMM O=S(=O)([N-]c1ccc(C(F)(F)F)c(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000012623444 527248975 /nfs/dbraw/zinc/24/89/75/527248975.db2.gz CIVDZVNPTLQYPO-UHFFFAOYSA-N -1 1 427.322 4.296 40 0 IIABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000408630356 556001006 /nfs/dbraw/zinc/00/10/06/556001006.db2.gz SGASUAADXZKTQE-UHFFFAOYSA-N -1 1 442.331 4.215 40 0 IIABMM CCOc1cccc(CNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000030756517 556504899 /nfs/dbraw/zinc/50/48/99/556504899.db2.gz OOSYSOAMLCTVBA-UHFFFAOYSA-N -1 1 438.549 4.433 40 0 IIABMM COc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000030848782 556508020 /nfs/dbraw/zinc/50/80/20/556508020.db2.gz YLFAXKKMWUOXCS-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Br)cc2)cc1Cl ZINC000044899801 556676681 /nfs/dbraw/zinc/67/66/81/556676681.db2.gz OKZAXXIGIQJOBB-UHFFFAOYSA-N -1 1 432.723 4.221 40 0 IIABMM CSCC[C@@H](NC(=O)c1oc2ccccc2c1C)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019566241 556806947 /nfs/dbraw/zinc/80/69/47/556806947.db2.gz GBLJAKMIIWPPJC-MRXNPFEDSA-N -1 1 434.521 4.111 40 0 IIABMM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccc(I)cc3)cc2)S1 ZINC000409001587 556914595 /nfs/dbraw/zinc/91/45/95/556914595.db2.gz WQEOEVVDCVTDKJ-OQLLNIDSSA-N -1 1 437.258 4.194 40 0 IIABMM O=C([O-])Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000020195590 556996860 /nfs/dbraw/zinc/99/68/60/556996860.db2.gz YYCFQDUWJFOUBJ-UHFFFAOYSA-N -1 1 437.308 4.136 40 0 IIABMM COc1cc(Br)c(Br)c(-c2nc3ccccc3c(=O)[n-]2)c1O ZINC000409262003 557040748 /nfs/dbraw/zinc/04/07/48/557040748.db2.gz GVFLBGDZAOUWGY-UHFFFAOYSA-N -1 1 426.064 4.242 40 0 IIABMM CCCN1CCN(C(=O)c2cncc([O-])c2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585172770 557135271 /nfs/dbraw/zinc/13/52/71/557135271.db2.gz SEVMUYZXMTUIER-HSZRJFAPSA-N -1 1 443.547 4.008 40 0 IIABMM CCSc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)s1 ZINC000222658087 557369259 /nfs/dbraw/zinc/36/92/59/557369259.db2.gz KKWOITPOBKKCOY-UHFFFAOYSA-N -1 1 448.595 4.320 40 0 IIABMM COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1 ZINC000014153994 557425906 /nfs/dbraw/zinc/42/59/06/557425906.db2.gz GUKHFWYQZIUBHD-UHFFFAOYSA-N -1 1 438.549 4.351 40 0 IIABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2C)c1 ZINC000014155380 557426759 /nfs/dbraw/zinc/42/67/59/557426759.db2.gz MHVWHDZJJZRWLG-UHFFFAOYSA-N -1 1 438.505 4.394 40 0 IIABMM CCSc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)s1 ZINC000223099454 557431359 /nfs/dbraw/zinc/43/13/59/557431359.db2.gz VJCVURHCIXIDGV-UHFFFAOYSA-N -1 1 434.568 4.012 40 0 IIABMM CCOc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000026118284 557449208 /nfs/dbraw/zinc/44/92/08/557449208.db2.gz ROFMDEZOHXOHMT-UHFFFAOYSA-N -1 1 448.610 4.480 40 0 IIABMM CCn1c2cc(C)c(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)cc2oc1=O ZINC000223356058 557461882 /nfs/dbraw/zinc/46/18/82/557461882.db2.gz JPLIJXHAUSNPEY-UHFFFAOYSA-N -1 1 438.505 4.303 40 0 IIABMM CSc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000016732042 557475572 /nfs/dbraw/zinc/47/55/72/557475572.db2.gz TZDBEOMQHZLIMI-HDMKZQKVSA-N -1 1 444.862 4.166 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccc(C)cc3C)cc2)cc1 ZINC000223930970 557530478 /nfs/dbraw/zinc/53/04/78/557530478.db2.gz GPENMJNCOVPYAW-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3cccc(C)c3)ccc2C)c1 ZINC000223942231 557531906 /nfs/dbraw/zinc/53/19/06/557531906.db2.gz DAXHLMFXPRZAKB-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1ccc(OC[C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000223944732 557532202 /nfs/dbraw/zinc/53/22/02/557532202.db2.gz XSBVGQCMCGITPE-IBGZPJMESA-N -1 1 438.549 4.302 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(F)cc3)ccc2C)c1 ZINC000223943083 557532212 /nfs/dbraw/zinc/53/22/12/557532212.db2.gz NBJGTHDNNJNZJW-UHFFFAOYSA-N -1 1 442.512 4.052 40 0 IIABMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCc2ccccc2C1 ZINC000223973805 557537237 /nfs/dbraw/zinc/53/72/37/557537237.db2.gz LMYNVJMZOORGIE-UHFFFAOYSA-N -1 1 426.925 4.339 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSc3ccccc3)cc2)cc1 ZINC000223981502 557538964 /nfs/dbraw/zinc/53/89/64/557538964.db2.gz JXYYOVIYBBNITQ-UHFFFAOYSA-N -1 1 442.562 4.018 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1OC ZINC000223988741 557540162 /nfs/dbraw/zinc/54/01/62/557540162.db2.gz ILYAVTNGMVUKAU-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)c(Cl)c2)cc1 ZINC000224023561 557546650 /nfs/dbraw/zinc/54/66/50/557546650.db2.gz VLSLWDNHCNKNDJ-MNVSYLFESA-N -1 1 434.945 4.068 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOCc3ccccc3)c2C)cc1 ZINC000224081064 557557913 /nfs/dbraw/zinc/55/79/13/557557913.db2.gz UTTXIHKDGVGCCL-UHFFFAOYSA-N -1 1 438.549 4.051 40 0 IIABMM CCc1ccc(OCCNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000224083836 557558090 /nfs/dbraw/zinc/55/80/90/557558090.db2.gz ZHNSSEWENUAJHE-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(F)c3)cc2)cc1 ZINC000224086088 557558530 /nfs/dbraw/zinc/55/85/30/557558530.db2.gz RIKDYUXGCMHXKP-UHFFFAOYSA-N -1 1 430.526 4.278 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3cccc(F)c3)c2)cc1 ZINC000224105755 557561987 /nfs/dbraw/zinc/56/19/87/557561987.db2.gz XBIJBDZFFZOVPV-UHFFFAOYSA-N -1 1 448.903 4.219 40 0 IIABMM COc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c1 ZINC000224573402 557625577 /nfs/dbraw/zinc/62/55/77/557625577.db2.gz IOOQXXFIAZZJIP-UHFFFAOYSA-N -1 1 440.521 4.130 40 0 IIABMM CCSc1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)s1 ZINC000224693438 557640984 /nfs/dbraw/zinc/64/09/84/557640984.db2.gz SIYPYZMQHSGJIA-UHFFFAOYSA-N -1 1 434.568 4.012 40 0 IIABMM Cc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000224996070 557675307 /nfs/dbraw/zinc/67/53/07/557675307.db2.gz MUICASKSQYFPNM-UHFFFAOYSA-N -1 1 448.595 4.400 40 0 IIABMM CCn1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(Br)c(Cl)c3)ccc21 ZINC000225691400 557764365 /nfs/dbraw/zinc/76/43/65/557764365.db2.gz CDKPKJGWTUEPCD-UHFFFAOYSA-N -1 1 447.763 4.300 40 0 IIABMM CCc1nnc([N-]c2cccc([C@@H]3CN(C(=O)c4cccc5ncccc54)CCO3)n2)s1 ZINC000257226630 568677383 /nfs/dbraw/zinc/67/73/83/568677383.db2.gz FLLGUTXMBPXISY-IBGZPJMESA-N -1 1 446.536 4.001 40 0 IIABMM CCc1nnc([N-]c2cccc([C@H]3CN(Cc4cn(C)c5ccccc45)CCO3)n2)s1 ZINC000257323187 568721243 /nfs/dbraw/zinc/72/12/43/568721243.db2.gz WJBOVKWIDTXKDW-HXUWFJFHSA-N -1 1 434.569 4.304 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2C)c1 ZINC000017304748 569225798 /nfs/dbraw/zinc/22/57/98/569225798.db2.gz SWLNLKHJVYAJJF-UHFFFAOYSA-N -1 1 438.505 4.128 40 0 IIABMM CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000033636051 569245182 /nfs/dbraw/zinc/24/51/82/569245182.db2.gz GHZFUYWILKSFFH-LBPRGKRZSA-N -1 1 431.341 4.088 40 0 IIABMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1OC ZINC000058058991 569249579 /nfs/dbraw/zinc/24/95/79/569249579.db2.gz HBUGTWYWPIBEHB-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM COc1ccccc1N1CCN(c2nc(C)c(Cc3ccc(C(C)C)cc3)c(=O)[n-]2)CC1 ZINC000013611440 132351864 /nfs/dbraw/zinc/35/18/64/132351864.db2.gz YNOBZVGQSGVWST-UHFFFAOYSA-N -1 1 432.568 4.128 40 0 IIABMM Cc1ccc(OCCNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000022517235 525422283 /nfs/dbraw/zinc/42/22/83/525422283.db2.gz VSWRYWGSQUPBDY-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000022525380 525872534 /nfs/dbraw/zinc/87/25/34/525872534.db2.gz VQXSLGCPJSHDKN-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 ZINC000408584532 555937292 /nfs/dbraw/zinc/93/72/92/555937292.db2.gz QYHWLLQABFZSDD-UHFFFAOYSA-N -1 1 445.541 4.072 40 0 IIABMM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1 ZINC000408587498 555937917 /nfs/dbraw/zinc/93/79/17/555937917.db2.gz DBAOJXNBQNGIHH-UHFFFAOYSA-N -1 1 440.521 4.076 40 0 IIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OC(C)C)cc3)C(=O)[O-])n2)c1 ZINC000408631887 556003501 /nfs/dbraw/zinc/00/35/01/556003501.db2.gz GXWJOZJGGSRJED-OCKHKDLRSA-N -1 1 441.509 4.494 40 0 IIABMM CCCOc1ccc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])cc1 ZINC000408634229 556010127 /nfs/dbraw/zinc/01/01/27/556010127.db2.gz SJLOPUAGXLBNFV-VXLYETTFSA-N -1 1 441.509 4.496 40 0 IIABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)c(NC(=O)CC)c2)cc1 ZINC000408696680 556100550 /nfs/dbraw/zinc/10/05/50/556100550.db2.gz DKOAAGBNWAVJIO-UHFFFAOYSA-N -1 1 448.541 4.192 40 0 IIABMM CCOC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1C ZINC000010112283 556325834 /nfs/dbraw/zinc/32/58/34/556325834.db2.gz JOXNNUGPTDNXFY-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1ccccc1Br ZINC000036624111 556598659 /nfs/dbraw/zinc/59/86/59/556598659.db2.gz MLKCBOFVPVJAJT-DHDCSXOGSA-N -1 1 434.267 4.001 40 0 IIABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc(C(C)C)cc2)CC(=O)N3)cc1 ZINC000040400434 556643398 /nfs/dbraw/zinc/64/33/98/556643398.db2.gz BXZSCMRRYQMXLM-GOSISDBHSA-N -1 1 431.496 4.010 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000138403599 556700699 /nfs/dbraw/zinc/70/06/99/556700699.db2.gz XFGKTSXAZGCXPS-UHFFFAOYSA-N -1 1 430.913 4.467 40 0 IIABMM O=C(NCCOc1cccc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000059581502 556802627 /nfs/dbraw/zinc/80/26/27/556802627.db2.gz TUHIATZGPUXIFO-UHFFFAOYSA-N -1 1 446.528 4.449 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1 ZINC000064596700 556825412 /nfs/dbraw/zinc/82/54/12/556825412.db2.gz LBDPVIHNDUMZQE-UHFFFAOYSA-N -1 1 430.526 4.278 40 0 IIABMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1OC ZINC000408906901 556884637 /nfs/dbraw/zinc/88/46/37/556884637.db2.gz KCIFKMHQWRBGRK-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM CCOc1cccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)c1 ZINC000019931633 556949090 /nfs/dbraw/zinc/94/90/90/556949090.db2.gz XCZUQZHQTBRMKK-UHFFFAOYSA-N -1 1 438.549 4.433 40 0 IIABMM CCc1nnc([N-]c2cccc([C@@H]3CCCN3C(=O)COc3ccc(F)cc3F)n2)s1 ZINC000072375521 556951624 /nfs/dbraw/zinc/95/16/24/556951624.db2.gz CVWCYVFSSCPFFA-INIZCTEOSA-N -1 1 445.495 4.260 40 0 IIABMM CCc1nnc([N-]c2cccc([C@H]3CCCN3C(=O)COc3ccc(F)cc3)n2)s1 ZINC000072375608 556952248 /nfs/dbraw/zinc/95/22/48/556952248.db2.gz OVRAKCFJDDHGLQ-QGZVFWFLSA-N -1 1 427.505 4.121 40 0 IIABMM CCc1nnc([N-]c2cccc([C@H]3CCCN(CC(=O)Nc4ccccc4F)C3)n2)s1 ZINC000072375962 556953574 /nfs/dbraw/zinc/95/35/74/556953574.db2.gz BZWNFIUACXDBQE-HNNXBMFYSA-N -1 1 440.548 4.196 40 0 IIABMM O=C(Nc1ccc2c(c1)OCCO2)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020044518 556972589 /nfs/dbraw/zinc/97/25/89/556972589.db2.gz AFPIJQMNMAVBJN-UHFFFAOYSA-N -1 1 444.896 4.164 40 0 IIABMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000020765769 557127738 /nfs/dbraw/zinc/12/77/38/557127738.db2.gz NZWXIZPWSZVTEB-UHFFFAOYSA-N -1 1 449.532 4.039 40 0 IIABMM COc1ccc(OC)c(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000216322645 557143084 /nfs/dbraw/zinc/14/30/84/557143084.db2.gz JMOJBJVHCXTHPY-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)cc1 ZINC000008810862 557173601 /nfs/dbraw/zinc/17/36/01/557173601.db2.gz JKDWHJJFENGPPU-UHFFFAOYSA-N -1 1 432.448 4.417 40 0 IIABMM CCOc1cc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000101114880 557333372 /nfs/dbraw/zinc/33/33/72/557333372.db2.gz RJMNYYGBCXEPKN-HJOGWXRNSA-N -1 1 444.487 4.150 40 0 IIABMM CCOc1ccc(C(=O)N2c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3C[C@@H]2C)cc1 ZINC000223378331 557464807 /nfs/dbraw/zinc/46/48/07/557464807.db2.gz FBRXOVMUYWXKGT-KRWDZBQOSA-N -1 1 436.533 4.478 40 0 IIABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc(Cl)cc1 ZINC000223755753 557509294 /nfs/dbraw/zinc/50/92/94/557509294.db2.gz CHVDCGGMKDEYTN-UHFFFAOYSA-N -1 1 440.905 4.081 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1NC(C)=O ZINC000223825469 557517573 /nfs/dbraw/zinc/51/75/73/557517573.db2.gz KQGIDAQLMRUJJI-UHFFFAOYSA-N -1 1 429.361 4.239 40 0 IIABMM COC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)ccc1Cl ZINC000223922245 557529219 /nfs/dbraw/zinc/52/92/19/557529219.db2.gz RWIZBUOOQKPGMX-UHFFFAOYSA-N -1 1 444.896 4.180 40 0 IIABMM Cc1cccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c1C ZINC000223928399 557530062 /nfs/dbraw/zinc/53/00/62/557530062.db2.gz ZOLZNNGPKRADHK-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccc(C)c(C)c3)cc2)cc1 ZINC000223931093 557530552 /nfs/dbraw/zinc/53/05/52/557530552.db2.gz MAFSGIKKSVKXLX-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3)ccc2C)c1C ZINC000223945396 557532525 /nfs/dbraw/zinc/53/25/25/557532525.db2.gz JCIBQOOIWPJLIR-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 ZINC000223945285 557532536 /nfs/dbraw/zinc/53/25/36/557532536.db2.gz JHLGRXYVTHFJII-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000223970596 557536613 /nfs/dbraw/zinc/53/66/13/557536613.db2.gz IPBSOMVVSQYHMY-QHCPKHFHSA-N -1 1 436.533 4.303 40 0 IIABMM COc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000223978922 557538375 /nfs/dbraw/zinc/53/83/75/557538375.db2.gz SWQCETAVECLWRO-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(C)ccc3OC)cc2)cc1 ZINC000223982474 557538934 /nfs/dbraw/zinc/53/89/34/557538934.db2.gz VYKFQEVQTHCAAP-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)cc1 ZINC000223985245 557539430 /nfs/dbraw/zinc/53/94/30/557539430.db2.gz KMJPWWXUAVLLLL-HSZRJFAPSA-N -1 1 436.533 4.303 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1OC ZINC000223989225 557540124 /nfs/dbraw/zinc/54/01/24/557540124.db2.gz MPOIZFBEJIFWTC-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1OC ZINC000223988660 557540146 /nfs/dbraw/zinc/54/01/46/557540146.db2.gz UHEZCOZFGVLGQW-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM CCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1 ZINC000223989630 557540519 /nfs/dbraw/zinc/54/05/19/557540519.db2.gz XUXZXWFBDVKFRF-UHFFFAOYSA-N -1 1 440.521 4.319 40 0 IIABMM Cc1ccc(C)c(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000224008073 557543190 /nfs/dbraw/zinc/54/31/90/557543190.db2.gz RRRWBHXOSOPGGE-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM COC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224029093 557547640 /nfs/dbraw/zinc/54/76/40/557547640.db2.gz GKKAPLQPCJKZHI-UHFFFAOYSA-N -1 1 444.896 4.180 40 0 IIABMM COc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224029812 557547646 /nfs/dbraw/zinc/54/76/46/557547646.db2.gz WJAUCKVVEKNYNG-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM CCOc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224032847 557548266 /nfs/dbraw/zinc/54/82/66/557548266.db2.gz YMMVAEFYIBTIBG-UHFFFAOYSA-N -1 1 444.940 4.470 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(Cl)ccc3OC)c2)cc1 ZINC000224039586 557549918 /nfs/dbraw/zinc/54/99/18/557549918.db2.gz FEDFUTUYILZTPU-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM CCc1ccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000224075449 557555978 /nfs/dbraw/zinc/55/59/78/557555978.db2.gz LZXLWWLFROGIPJ-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3ccc(C)c(C)c3)c2)cc1 ZINC000224075605 557555988 /nfs/dbraw/zinc/55/59/88/557555988.db2.gz AHEPFTXMZMJNLH-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(Cl)c3)cc2C)cc1 ZINC000224091474 557559625 /nfs/dbraw/zinc/55/96/25/557559625.db2.gz YPGFWIGIFLGXPR-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM COc1cccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224097236 557560257 /nfs/dbraw/zinc/56/02/57/557560257.db2.gz QBBFQGWTHLJFON-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM Cc1cccc(OCCNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000224398574 557601755 /nfs/dbraw/zinc/60/17/55/557601755.db2.gz LQKFNJZHLHUFIS-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM CCSc1nnc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000224510486 557614608 /nfs/dbraw/zinc/61/46/08/557614608.db2.gz FSMZIAOWKNQFPS-UHFFFAOYSA-N -1 1 434.568 4.012 40 0 IIABMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028207036 557647333 /nfs/dbraw/zinc/64/73/33/557647333.db2.gz MEOBOYFLECPLPR-INIZCTEOSA-N -1 1 449.532 4.037 40 0 IIABMM CCc1nnc([N-]c2cccc([C@@H]3CN(C(=O)c4ccc5ncccc5c4)CCO3)n2)s1 ZINC000257243143 568685219 /nfs/dbraw/zinc/68/52/19/568685219.db2.gz IFQGMHNICJRGDJ-IBGZPJMESA-N -1 1 446.536 4.001 40 0 IIABMM Cc1ccc(SCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000010328005 569223153 /nfs/dbraw/zinc/22/31/53/569223153.db2.gz DEFDGLYPJMTJMO-UHFFFAOYSA-N -1 1 426.563 4.318 40 0 IIABMM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000058058974 569249593 /nfs/dbraw/zinc/24/95/93/569249593.db2.gz GYXWBLSOZZBXSS-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM CSc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000035980668 526077714 /nfs/dbraw/zinc/07/77/14/526077714.db2.gz TZDBEOMQHZLIMI-RKVPGOIHSA-N -1 1 444.862 4.166 40 0 IIABMM COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000022514938 526238117 /nfs/dbraw/zinc/23/81/17/526238117.db2.gz QCLCZDQYJNRCOH-KRWDZBQOSA-N -1 1 440.521 4.210 40 0 IIABMM CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408552344 555878784 /nfs/dbraw/zinc/87/87/84/555878784.db2.gz MDFJPPFRJRKDCR-UHFFFAOYSA-N -1 1 431.341 4.088 40 0 IIABMM CCN(CC)C(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408553895 555890872 /nfs/dbraw/zinc/89/08/72/555890872.db2.gz RGOMLFBSIGVAFC-UHFFFAOYSA-N -1 1 431.341 4.041 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(C)cc3)c2)c1 ZINC000408562267 555905443 /nfs/dbraw/zinc/90/54/43/555905443.db2.gz YNYOEAGRORRVAD-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000408562729 555905977 /nfs/dbraw/zinc/90/59/77/555905977.db2.gz RUWJAXBSGIRCPV-UHFFFAOYSA-N -1 1 426.336 4.124 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000408593192 555954873 /nfs/dbraw/zinc/95/48/73/555954873.db2.gz PMBYJOSTYJFSRL-UHFFFAOYSA-N -1 1 446.912 4.167 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1C(=O)N1CCCCC1 ZINC000408625516 555996041 /nfs/dbraw/zinc/99/60/41/555996041.db2.gz SUKORRSYHLXSBD-UHFFFAOYSA-N -1 1 437.359 4.184 40 0 IIABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N3CC(=O)Nc4ccccc43)ccc2C)c1 ZINC000408630033 556000454 /nfs/dbraw/zinc/00/04/54/556000454.db2.gz MNIJPBCMWGMYOX-UHFFFAOYSA-N -1 1 449.532 4.012 40 0 IIABMM CCOc1cc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])ccc1O ZINC000408631215 556002841 /nfs/dbraw/zinc/00/28/41/556002841.db2.gz GGPARYMFJFOBLT-MFOYZWKCSA-N -1 1 447.900 4.456 40 0 IIABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc(OC)c1O ZINC000408635034 556012092 /nfs/dbraw/zinc/01/20/92/556012092.db2.gz WZTJVEULXDRJJC-DHDCSXOGSA-N -1 1 433.873 4.066 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCCCC1 ZINC000408635369 556012838 /nfs/dbraw/zinc/01/28/38/556012838.db2.gz AESWHTQYKMGYPT-UHFFFAOYSA-N -1 1 426.460 4.441 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1C(=O)N1CCCCC1 ZINC000408693504 556099317 /nfs/dbraw/zinc/09/93/17/556099317.db2.gz XTEZXPANFNEFMY-UHFFFAOYSA-N -1 1 443.352 4.429 40 0 IIABMM O=C(Nc1nnc(-c2ccccc2)s1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000028282736 556447557 /nfs/dbraw/zinc/44/75/57/556447557.db2.gz FIBWINAOHBRXAH-UHFFFAOYSA-N -1 1 436.518 4.258 40 0 IIABMM COC(=O)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000030848194 556508067 /nfs/dbraw/zinc/50/80/67/556508067.db2.gz MEAFKTXVQSPZMH-UHFFFAOYSA-N -1 1 444.896 4.180 40 0 IIABMM CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000013675850 556554162 /nfs/dbraw/zinc/55/41/62/556554162.db2.gz KPNHKADRXQGBRJ-UHFFFAOYSA-N -1 1 438.549 4.433 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c2)c1 ZINC000017605324 556678258 /nfs/dbraw/zinc/67/82/58/556678258.db2.gz KKYIMOILHZXBNE-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM CCOC(=O)C1=C(C)NC(SCc2cccc(C(=O)[O-])c2)=N[C@@H]1c1cccc(OC)c1 ZINC000408876859 556876813 /nfs/dbraw/zinc/87/68/13/556876813.db2.gz RHYZDMQLGHSEKT-HXUWFJFHSA-N -1 1 440.521 4.164 40 0 IIABMM C=C1N=C(SCc2cccc(C(=O)[O-])c2)N[C@H](c2cccc(OC)c2)C1C(=O)OCC ZINC000408876859 556876814 /nfs/dbraw/zinc/87/68/14/556876814.db2.gz RHYZDMQLGHSEKT-HXUWFJFHSA-N -1 1 440.521 4.164 40 0 IIABMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1OC ZINC000408922624 556892119 /nfs/dbraw/zinc/89/21/19/556892119.db2.gz CUVLCSPOFOKIGJ-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)N1 ZINC000409047452 556931589 /nfs/dbraw/zinc/93/15/89/556931589.db2.gz OTORVPNUFOTHPH-VGOFMYFVSA-N -1 1 425.641 4.001 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NCc3ccc(F)cc3)cc2)cc1 ZINC000020024322 556966319 /nfs/dbraw/zinc/96/63/19/556966319.db2.gz JZGUHSCEOYBKFM-UHFFFAOYSA-N -1 1 426.513 4.184 40 0 IIABMM O=c1[nH]c2ccccc2c([O-])c1C(c1c[nH]c2ccccc21)c1c(=O)[nH]c2ccccc2c1O ZINC000040513038 556979802 /nfs/dbraw/zinc/97/98/02/556979802.db2.gz DBQYGRHMWNUTHJ-UHFFFAOYSA-N -1 1 449.466 4.442 40 0 IIABMM COc1ccccc1[C@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000102725403 557131384 /nfs/dbraw/zinc/13/13/84/557131384.db2.gz HKVSAYZUUFBPRN-BHIFYINESA-N -1 1 434.879 4.400 40 0 IIABMM COC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000010315037 557216544 /nfs/dbraw/zinc/21/65/44/557216544.db2.gz RMTGQIKDEYTVOK-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM CCOc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000108589410 557340059 /nfs/dbraw/zinc/34/00/59/557340059.db2.gz HGYPBZDBKSJYOR-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM COC(=O)c1cn(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c2ccccc12 ZINC000222601554 557359846 /nfs/dbraw/zinc/35/98/46/557359846.db2.gz XVMNXEWCYIXEDG-UHFFFAOYSA-N -1 1 448.500 4.226 40 0 IIABMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cc3noc(C(C)C)n3)cc2)cc1 ZINC000223000464 557413811 /nfs/dbraw/zinc/41/38/11/557413811.db2.gz IXJGXTFCWUCIOE-UHFFFAOYSA-N -1 1 444.513 4.153 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccco3)ccc2C)cc1 ZINC000014153620 557424153 /nfs/dbraw/zinc/42/41/53/557424153.db2.gz GDTKXHFXCZKFPM-UHFFFAOYSA-N -1 1 444.578 4.360 40 0 IIABMM COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000014155558 557427131 /nfs/dbraw/zinc/42/71/31/557427131.db2.gz OPLMUBIQLCINHX-UHFFFAOYSA-N -1 1 438.549 4.351 40 0 IIABMM CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000014396171 557435001 /nfs/dbraw/zinc/43/50/01/557435001.db2.gz GRFKOLSSNBTJLN-JOCHJYFZSA-N -1 1 440.521 4.292 40 0 IIABMM COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2C)cc1 ZINC000136133699 557459514 /nfs/dbraw/zinc/45/95/14/557459514.db2.gz DDTYIZYWMBBEOU-KMDXXIMOSA-N -1 1 428.488 4.363 40 0 IIABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)COc4ccccc4)cc3[O-])oc2c1 ZINC000017098427 557480972 /nfs/dbraw/zinc/48/09/72/557480972.db2.gz FUIHXQMIOMFZAR-UHFFFAOYSA-N -1 1 433.489 4.401 40 0 IIABMM CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c(C)c1 ZINC000223923649 557529467 /nfs/dbraw/zinc/52/94/67/557529467.db2.gz ONGHRHWKUQESPU-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000223940832 557531579 /nfs/dbraw/zinc/53/15/79/557531579.db2.gz XWVITHGJOCQIOC-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3C)ccc2C)cc1 ZINC000223944123 557532255 /nfs/dbraw/zinc/53/22/55/557532255.db2.gz SACMTVHFMXTNMJ-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCCSCc3ccccc3)c2)c1 ZINC000223947300 557532653 /nfs/dbraw/zinc/53/26/53/557532653.db2.gz ICIKQBHXDGCUBO-UHFFFAOYSA-N -1 1 440.590 4.459 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(N4CCCC4=O)c3)cc2)cc1 ZINC000223971837 557536987 /nfs/dbraw/zinc/53/69/87/557536987.db2.gz QQCZEJOJOZJDQU-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCCCC3)cc2)cc1OC ZINC000223991709 557540736 /nfs/dbraw/zinc/54/07/36/557540736.db2.gz VAXOOWDWLKKSBX-UHFFFAOYSA-N -1 1 446.569 4.347 40 0 IIABMM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)cc3)cc2)cc1 ZINC000223994211 557541146 /nfs/dbraw/zinc/54/11/46/557541146.db2.gz OJKKVNVIHQIPPC-UHFFFAOYSA-N -1 1 442.562 4.148 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc4C3)cc2C)cc1 ZINC000224011169 557544113 /nfs/dbraw/zinc/54/41/13/557544113.db2.gz MRXMLKHHQCZHRV-UHFFFAOYSA-N -1 1 436.533 4.003 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc43)c(Cl)c2)cc1 ZINC000224024674 557546902 /nfs/dbraw/zinc/54/69/02/557546902.db2.gz WJCWGVHXCAIKJN-UHFFFAOYSA-N -1 1 442.924 4.352 40 0 IIABMM C[C@@H](COc1ccccc1)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224035839 557549096 /nfs/dbraw/zinc/54/90/96/557549096.db2.gz VAQMRYADGBMQBU-INIZCTEOSA-N -1 1 444.940 4.338 40 0 IIABMM COc1ccc(CNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224051069 557551897 /nfs/dbraw/zinc/55/18/97/557551897.db2.gz HDTZHCBZLAWEAI-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3cccc(C)c3)c2)cc1 ZINC000224072510 557555450 /nfs/dbraw/zinc/55/54/50/557555450.db2.gz RBFGPHCJFQPNBE-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM COc1cccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)c1 ZINC000224090483 557559271 /nfs/dbraw/zinc/55/92/71/557559271.db2.gz WUBCHVAIJAOZSA-UHFFFAOYSA-N -1 1 438.549 4.385 40 0 IIABMM COc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c1 ZINC000224093595 557559848 /nfs/dbraw/zinc/55/98/48/557559848.db2.gz TTWAGGBKMSUTRB-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM CCOc1cccc(CN(C)C(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000224099948 557560621 /nfs/dbraw/zinc/56/06/21/557560621.db2.gz LIUUFONCHBGJNV-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3OC)cc2)c1 ZINC000224534218 557617566 /nfs/dbraw/zinc/61/75/66/557617566.db2.gz KJPGVGLLIWKTTL-XNTDXEJSSA-N -1 1 438.505 4.157 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 ZINC000224567411 557624705 /nfs/dbraw/zinc/62/47/05/557624705.db2.gz NCCHOXOJSXVHDO-UHFFFAOYSA-N -1 1 438.505 4.096 40 0 IIABMM COc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c1 ZINC000224573899 557625895 /nfs/dbraw/zinc/62/58/95/557625895.db2.gz LUTFBLTUMDMTEA-UHFFFAOYSA-N -1 1 446.912 4.167 40 0 IIABMM COc1cc2c(cc1CN1CCO[C@@H](c3cccc([N-]c4nnc(C)s4)n3)C1)CCC2 ZINC000257329174 568723857 /nfs/dbraw/zinc/72/38/57/568723857.db2.gz XIUQWFKOFSICSW-OAQYLSRUSA-N -1 1 437.569 4.056 40 0 IIABMM Cc1ccc(C(=O)NCCSCc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010315046 569222775 /nfs/dbraw/zinc/22/27/75/569222775.db2.gz AQFAWJCDTGONHA-UHFFFAOYSA-N -1 1 440.590 4.459 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSc3ccccc3)c2)cc1 ZINC000010334400 569223410 /nfs/dbraw/zinc/22/34/10/569223410.db2.gz UTAIDSSIWLXLNY-UHFFFAOYSA-N -1 1 426.563 4.318 40 0 IIABMM COc1ccc(OC)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)c1 ZINC000010363289 569223800 /nfs/dbraw/zinc/22/38/00/569223800.db2.gz BIEURBGJDDCXBU-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM O=C1N[C@@H](c2ccccc2Cl)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915411 569292314 /nfs/dbraw/zinc/29/23/14/569292314.db2.gz RWECVCFVBJZYFD-ZQIUZPCESA-N -1 1 433.213 4.097 40 0 IIABMM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2C)cc1 ZINC000012017591 569303597 /nfs/dbraw/zinc/30/35/97/569303597.db2.gz DDTYIZYWMBBEOU-SGNDLWITSA-N -1 1 428.488 4.363 40 0 IIABMM CC(C)(C)SCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020484900 518908590 /nfs/dbraw/zinc/90/85/90/518908590.db2.gz ALUTZHGNQJNASF-UHFFFAOYSA-N -1 1 426.991 4.402 40 0 IIABMM COc1ccc(CN(C)C(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000020483586 523998480 /nfs/dbraw/zinc/99/84/80/523998480.db2.gz NBYYAVQJCAYIFQ-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM Cc1cccc(NC(=O)CSc2nnc([N-]C(=O)c3c(F)cccc3F)s2)c1C ZINC000035316116 524604022 /nfs/dbraw/zinc/60/40/22/524604022.db2.gz AINKKNGCHGPTBU-UHFFFAOYSA-N -1 1 434.493 4.416 40 0 IIABMM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)ccc1N1CCCC1=O ZINC000022508795 525421009 /nfs/dbraw/zinc/42/10/09/525421009.db2.gz NSGSDSDDTXNKEV-UHFFFAOYSA-N -1 1 443.750 4.339 40 0 IIABMM COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000022514944 526239070 /nfs/dbraw/zinc/23/90/70/526239070.db2.gz QCLCZDQYJNRCOH-QGZVFWFLSA-N -1 1 440.521 4.210 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3cccc(Cl)c3)c2)c1 ZINC000408557972 555896590 /nfs/dbraw/zinc/89/65/90/555896590.db2.gz PHGYKPIZNDQMMD-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000408583554 555930216 /nfs/dbraw/zinc/93/02/16/555930216.db2.gz IHGQGYKQAFMQIS-UHFFFAOYSA-N -1 1 426.336 4.027 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)c1 ZINC000408586772 555939508 /nfs/dbraw/zinc/93/95/08/555939508.db2.gz BSLKHUWTCZGQDZ-UHFFFAOYSA-N -1 1 440.521 4.130 40 0 IIABMM CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408590442 555947761 /nfs/dbraw/zinc/94/77/61/555947761.db2.gz GVFURIRGIXRLCD-QGZVFWFLSA-N -1 1 426.538 4.180 40 0 IIABMM Cc1ccc([C@@H](CCC(=O)[O-])N2CCN(C(=O)c3cccc(Br)c3)CC2)cc1 ZINC000408609998 555980114 /nfs/dbraw/zinc/98/01/14/555980114.db2.gz PXTDRXMXCSALBM-HXUWFJFHSA-N -1 1 445.357 4.121 40 0 IIABMM COc1cccc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])c1O ZINC000408631324 556002851 /nfs/dbraw/zinc/00/28/51/556002851.db2.gz HNQQUTUZTURFTD-NVNXTCNLSA-N -1 1 433.873 4.066 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1C(=O)N1CCCC1 ZINC000408693508 556099298 /nfs/dbraw/zinc/09/92/98/556099298.db2.gz YCHWRQWCGXVJHE-UHFFFAOYSA-N -1 1 429.325 4.039 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1C(=O)N1CCC(C)CC1 ZINC000408702135 556105762 /nfs/dbraw/zinc/10/57/62/556105762.db2.gz CYFHBGCEMTVMTF-UHFFFAOYSA-N -1 1 436.961 4.330 40 0 IIABMM COc1ccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000010112602 556326289 /nfs/dbraw/zinc/32/62/89/556326289.db2.gz HPLNGLOVXMBYJJ-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCCSc3ccccc3)c2)c1 ZINC000015136592 556505740 /nfs/dbraw/zinc/50/57/40/556505740.db2.gz YZUHONIWRCYLSF-UHFFFAOYSA-N -1 1 426.563 4.318 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(N4CCCC4=O)c3)c2)c1 ZINC000015176381 556508120 /nfs/dbraw/zinc/50/81/20/556508120.db2.gz VTINZXMGWHGIDT-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM CCOc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000013632739 556539937 /nfs/dbraw/zinc/53/99/37/556539937.db2.gz UPWYQKRVGKAMMC-UHFFFAOYSA-N -1 1 438.549 4.433 40 0 IIABMM O=C([O-])C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000514289348 556625686 /nfs/dbraw/zinc/62/56/86/556625686.db2.gz QYOAXCYBXNUYGJ-GJZGRUSLSA-N -1 1 429.879 4.151 40 0 biogenic,in-vitro IIABMM O=C(COc1ccccc1F)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000058058867 556756013 /nfs/dbraw/zinc/75/60/13/556756013.db2.gz FVIUSMXIJOMEIL-UHFFFAOYSA-N -1 1 434.876 4.297 40 0 IIABMM CCOc1ccccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000020107579 556983862 /nfs/dbraw/zinc/98/38/62/556983862.db2.gz BIYZCTOXGOEDSO-UHFFFAOYSA-N -1 1 438.549 4.433 40 0 IIABMM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c1 ZINC000409178039 556986796 /nfs/dbraw/zinc/98/67/96/556986796.db2.gz IINPGYGEHQSOMW-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM COC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000409381210 557090758 /nfs/dbraw/zinc/09/07/58/557090758.db2.gz KTARROOPZPBBJU-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM CCOc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000216428559 557146016 /nfs/dbraw/zinc/14/60/16/557146016.db2.gz XWTOHQKSUXRING-UHFFFAOYSA-N -1 1 444.940 4.470 40 0 IIABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)ccc1OCc1ccccc1F ZINC000022110712 557178731 /nfs/dbraw/zinc/17/87/31/557178731.db2.gz IDPORTKYENMKEU-UHFFFAOYSA-N -1 1 437.500 4.473 40 0 IIABMM CN(CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 ZINC000219285663 557235683 /nfs/dbraw/zinc/23/56/83/557235683.db2.gz CWEQDIWKACWVBN-UHFFFAOYSA-N -1 1 443.956 4.007 40 0 IIABMM O=C([O-])c1ccccc1[C@H]1c2c(O)n(-c3cccc(Cl)c3)c(O)c2ON1c1ccccc1 ZINC000102767728 557307816 /nfs/dbraw/zinc/30/78/16/557307816.db2.gz ZDTSWYWUPWCDBR-HKBOAZHASA-N -1 1 448.862 4.089 40 0 IIABMM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)c12 ZINC000010166770 557335024 /nfs/dbraw/zinc/33/50/24/557335024.db2.gz HOAJZDQPEWSVLJ-UHFFFAOYSA-N -1 1 428.370 4.173 40 0 IIABMM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2N2CCCCCC2)cc1 ZINC000223427568 557471068 /nfs/dbraw/zinc/47/10/68/557471068.db2.gz TYNZBDIZNCOJBM-UHFFFAOYSA-N -1 1 446.569 4.442 40 0 IIABMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c(C)c1 ZINC000223755291 557509432 /nfs/dbraw/zinc/50/94/32/557509432.db2.gz MDZFGKBXVRICCD-UHFFFAOYSA-N -1 1 448.541 4.353 40 0 IIABMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cccc(OCCc3ccccc3)c2)cc1 ZINC000223789146 557513615 /nfs/dbraw/zinc/51/36/15/557513615.db2.gz MLPJXIOWVPZLFO-UHFFFAOYSA-N -1 1 436.533 4.236 40 0 IIABMM CCOc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)c1 ZINC000223791511 557513823 /nfs/dbraw/zinc/51/38/23/557513823.db2.gz NEWYVLFTMZJIIO-UHFFFAOYSA-N -1 1 448.610 4.480 40 0 IIABMM Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c(C)c1 ZINC000223939254 557531696 /nfs/dbraw/zinc/53/16/96/557531696.db2.gz OFAAAYXLSCFEQA-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000223969158 557536357 /nfs/dbraw/zinc/53/63/57/557536357.db2.gz OXHCFSNRFAKIAH-KRWDZBQOSA-N -1 1 442.512 4.132 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSC3CCCCC3)cc2)cc1 ZINC000223983288 557539196 /nfs/dbraw/zinc/53/91/96/557539196.db2.gz DXGUXWXJYUHCJK-UHFFFAOYSA-N -1 1 448.610 4.292 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3cc(C)ccc3C)c2)cc1 ZINC000224007446 557543160 /nfs/dbraw/zinc/54/31/60/557543160.db2.gz ICGAIOWYWISEGV-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM O=C(NCc1ccco1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000224019205 557545677 /nfs/dbraw/zinc/54/56/77/557545677.db2.gz XIIKYFSGLIURJU-UHFFFAOYSA-N -1 1 425.293 4.317 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3C)c(Cl)c2)cc1 ZINC000224023097 557546593 /nfs/dbraw/zinc/54/65/93/557546593.db2.gz QZXFVXPDSQETEZ-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)N1CCc2ccccc2C1 ZINC000224029372 557547693 /nfs/dbraw/zinc/54/76/93/557547693.db2.gz MSLRTNJOJARGAF-UHFFFAOYSA-N -1 1 426.925 4.339 40 0 IIABMM C[C@H](COc1ccccc1)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224035889 557549087 /nfs/dbraw/zinc/54/90/87/557549087.db2.gz VAQMRYADGBMQBU-MRXNPFEDSA-N -1 1 444.940 4.338 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCc3ccccc3)c2)cc1 ZINC000224069388 557555016 /nfs/dbraw/zinc/55/50/16/557555016.db2.gz WKFPKXPQJJTZNU-UHFFFAOYSA-N -1 1 444.940 4.122 40 0 IIABMM Cc1cc(C)cc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000224073005 557555480 /nfs/dbraw/zinc/55/54/80/557555480.db2.gz GVGWVRPNOUPLHP-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1cc(C)cc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000224078657 557556825 /nfs/dbraw/zinc/55/68/25/557556825.db2.gz JPXTVSDWDWBNMJ-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1cc(C)cc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c1 ZINC000224078266 557556901 /nfs/dbraw/zinc/55/69/01/557556901.db2.gz JGGAQXGBDZVUPH-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOCc3ccccc3)cc2C)cc1 ZINC000224091415 557559495 /nfs/dbraw/zinc/55/94/95/557559495.db2.gz ZVCQGEOXJWPFPG-UHFFFAOYSA-N -1 1 438.549 4.051 40 0 IIABMM COc1cccc(CNC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 ZINC000224105054 557561759 /nfs/dbraw/zinc/56/17/59/557561759.db2.gz HNGDJFYTRPWBQH-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM Cc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1Cl ZINC000224139802 557565584 /nfs/dbraw/zinc/56/55/84/557565584.db2.gz IBXYCTIYEGHTCU-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM O=C(NCCOCc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000224402658 557602342 /nfs/dbraw/zinc/60/23/42/557602342.db2.gz KNKKFOMSACQOKG-UHFFFAOYSA-N -1 1 444.940 4.087 40 0 IIABMM CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1 ZINC000224576637 557626384 /nfs/dbraw/zinc/62/63/84/557626384.db2.gz ROKDAEUMCTZTPZ-JOCHJYFZSA-N -1 1 440.521 4.292 40 0 IIABMM CCc1nnc([N-]c2cccc([C@H]3CN(Cc4cccc5ncccc45)CCO3)n2)s1 ZINC000257311557 568715907 /nfs/dbraw/zinc/71/59/07/568715907.db2.gz UKAIRWXAEDIEEY-HXUWFJFHSA-N -1 1 432.553 4.361 40 0 IIABMM O=S(=O)([N-]c1ccc(C2N=NC(=S)N2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000013534009 568828344 /nfs/dbraw/zinc/82/83/44/568828344.db2.gz LGABOODVDDURPY-UHFFFAOYSA-N -1 1 426.498 4.163 40 0 IIABMM Cc1ccc(C(=O)NCCSc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010315191 569222763 /nfs/dbraw/zinc/22/27/63/569222763.db2.gz KBZGYNLLLKJINY-UHFFFAOYSA-N -1 1 426.563 4.318 40 0 IIABMM COc1ccc(CCNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010369888 569224131 /nfs/dbraw/zinc/22/41/31/569224131.db2.gz WWWFLOHZIQDJMQ-UHFFFAOYSA-N -1 1 438.549 4.085 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1C(=O)N1CCCCC1 ZINC000026116596 569242362 /nfs/dbraw/zinc/24/23/62/569242362.db2.gz RDBLMQDGBDLINQ-UHFFFAOYSA-N -1 1 426.510 4.114 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)c1 ZINC000026119678 569242531 /nfs/dbraw/zinc/24/25/31/569242531.db2.gz YBBZQLCEWFXOAD-UHFFFAOYSA-N -1 1 434.583 4.234 40 0 IIABMM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000012017366 569303575 /nfs/dbraw/zinc/30/35/75/569303575.db2.gz PUCZXUVHKHVZFL-HJOGWXRNSA-N -1 1 444.487 4.063 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCc3ccccc3)c2)cc1 ZINC000020453767 525604105 /nfs/dbraw/zinc/60/41/05/525604105.db2.gz HDONSGWFGNCLEU-UHFFFAOYSA-N -1 1 428.941 4.422 40 0 IIABMM O=C(Nc1ccc2c(c1)OCCO2)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020570881 527287076 /nfs/dbraw/zinc/28/70/76/527287076.db2.gz CYUNGIIHCLALGE-UHFFFAOYSA-N -1 1 444.896 4.164 40 0 IIABMM COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000408547732 555802368 /nfs/dbraw/zinc/80/23/68/555802368.db2.gz MBMXBJWBJYQSHP-UHFFFAOYSA-N -1 1 438.549 4.351 40 0 IIABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1NC(=O)c1ccccc1F ZINC000408558916 555898328 /nfs/dbraw/zinc/89/83/28/555898328.db2.gz KNPTWCHTEPVNJV-UHFFFAOYSA-N -1 1 432.448 4.417 40 0 IIABMM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)cc1 ZINC000408600689 555968560 /nfs/dbraw/zinc/96/85/60/555968560.db2.gz CAXYYBLUNWAOKY-UHFFFAOYSA-N -1 1 446.912 4.167 40 0 IIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cn(C)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408631566 556003230 /nfs/dbraw/zinc/00/32/30/556003230.db2.gz FQVCDZXCLWZJND-GRSHGNNSSA-N -1 1 436.493 4.198 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1C(=O)N1CCC(C)CC1 ZINC000408706159 556112525 /nfs/dbraw/zinc/11/25/25/556112525.db2.gz WLCYPTANBWUBHK-UHFFFAOYSA-N -1 1 434.583 4.090 40 0 IIABMM COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)c3ccccc3[O-])s2)cc1 ZINC000039753795 556438960 /nfs/dbraw/zinc/43/89/60/556438960.db2.gz NDTQPUKLBNHMOU-UHFFFAOYSA-N -1 1 446.488 4.424 40 0 IIABMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1OC ZINC000015438788 556527942 /nfs/dbraw/zinc/52/79/42/556527942.db2.gz OLWXVMOUQIHMRV-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM CCOc1ccc(CNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000013647991 556544734 /nfs/dbraw/zinc/54/47/34/556544734.db2.gz HZFVYQDUWCROGL-UHFFFAOYSA-N -1 1 438.549 4.433 40 0 IIABMM CCOc1ccccc1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000013648637 556545071 /nfs/dbraw/zinc/54/50/71/556545071.db2.gz LIDHOHGVQYVKLS-UHFFFAOYSA-N -1 1 438.549 4.249 40 0 IIABMM CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000101099326 556717456 /nfs/dbraw/zinc/71/74/56/556717456.db2.gz DGJULFFNUSNKAN-HJOGWXRNSA-N -1 1 444.487 4.150 40 0 IIABMM CCOC(=O)C1=C(C)NC(SCc2cccc(C(=O)[O-])c2)=N[C@H]1c1ccc(F)cc1 ZINC000408873293 556875532 /nfs/dbraw/zinc/87/55/32/556875532.db2.gz SJKUXTYKLLYDTG-IBGZPJMESA-N -1 1 428.485 4.295 40 0 IIABMM C=C1N=C(SCc2cccc(C(=O)[O-])c2)N[C@@H](c2ccc(F)cc2)C1C(=O)OCC ZINC000408873293 556875535 /nfs/dbraw/zinc/87/55/35/556875535.db2.gz SJKUXTYKLLYDTG-IBGZPJMESA-N -1 1 428.485 4.295 40 0 IIABMM CCOC(=O)C1=C(C)NC(SCc2cccc(C(=O)[O-])c2)=N[C@@H]1c1ccc(F)cc1 ZINC000408873294 556875611 /nfs/dbraw/zinc/87/56/11/556875611.db2.gz SJKUXTYKLLYDTG-LJQANCHMSA-N -1 1 428.485 4.295 40 0 IIABMM C=C1N=C(SCc2cccc(C(=O)[O-])c2)N[C@H](c2ccc(F)cc2)C1C(=O)OCC ZINC000408873294 556875613 /nfs/dbraw/zinc/87/56/13/556875613.db2.gz SJKUXTYKLLYDTG-LJQANCHMSA-N -1 1 428.485 4.295 40 0 IIABMM CCOc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000020105893 556982411 /nfs/dbraw/zinc/98/24/11/556982411.db2.gz DKGHAKCXHARYMF-UHFFFAOYSA-N -1 1 438.549 4.433 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2C)cc1C ZINC000409406694 557106705 /nfs/dbraw/zinc/10/67/05/557106705.db2.gz CBMRDUSUXXROAT-UHFFFAOYSA-N -1 1 438.505 4.394 40 0 IIABMM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000102728365 557131791 /nfs/dbraw/zinc/13/17/91/557131791.db2.gz ADWLDFXLYJEDMV-TZRRMPRUSA-N -1 1 444.487 4.063 40 0 IIABMM COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102728747 557131810 /nfs/dbraw/zinc/13/18/10/557131810.db2.gz NCHDXFHHGQEGQN-TZRRMPRUSA-N -1 1 444.487 4.063 40 0 IIABMM COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(C)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102706720 557133155 /nfs/dbraw/zinc/13/31/55/557133155.db2.gz RHSRUBXZYIKUKT-TZRRMPRUSA-N -1 1 428.488 4.363 40 0 IIABMM COc1cc(CNn2c(C)n[n-]c2=S)cc(Br)c1OCc1ccccc1 ZINC000022112306 557179745 /nfs/dbraw/zinc/17/97/45/557179745.db2.gz SJGJIFMAKMUYQB-UHFFFAOYSA-N -1 1 435.347 4.343 40 0 IIABMM COC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000010314433 557215684 /nfs/dbraw/zinc/21/56/84/557215684.db2.gz WWHVHMBAFGBKLZ-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM O=C([O-])c1ccccc1[C@H]1c2c(O)n(-c3cccc(Cl)c3)c(O)c2ON1c1ccccc1 ZINC000102767727 557307842 /nfs/dbraw/zinc/30/78/42/557307842.db2.gz ZDTSWYWUPWCDBR-ACRUOGEOSA-N -1 1 448.862 4.089 40 0 IIABMM Cn1c(=O)c(C(=O)C[C@@H](NCc2ccncc2)c2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000104827531 557328704 /nfs/dbraw/zinc/32/87/04/557328704.db2.gz CEBRAOURJRYCFQ-HXUWFJFHSA-N -1 1 447.922 4.396 40 0 IIABMM COc1cccc(N2CCN(c3nc(C)c(Cc4cccc5ccccc54)c(=O)[n-]3)CC2)c1 ZINC000014162210 557427763 /nfs/dbraw/zinc/42/77/63/557427763.db2.gz RFROLPCDXJTCMK-UHFFFAOYSA-N -1 1 440.547 4.158 40 0 IIABMM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)c(C)cc21 ZINC000223355516 557461790 /nfs/dbraw/zinc/46/17/90/557461790.db2.gz HGPPGGWPNUTHLZ-UHFFFAOYSA-N -1 1 434.823 4.396 40 0 IIABMM O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc21 ZINC000223378831 557465136 /nfs/dbraw/zinc/46/51/36/557465136.db2.gz UCKZKOBMDRGAOY-UHFFFAOYSA-N -1 1 428.460 4.359 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCCc3ccccc3)c2)cc1NC(C)=O ZINC000223788572 557513370 /nfs/dbraw/zinc/51/33/70/557513370.db2.gz JGCDIYFHYZMDAP-UHFFFAOYSA-N -1 1 440.521 4.076 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3cccc(C)c3C)cc2)cc1 ZINC000223921369 557529245 /nfs/dbraw/zinc/52/92/45/557529245.db2.gz JFILUJUOUBEHCN-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1ccc(OC[C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1C ZINC000223930534 557530303 /nfs/dbraw/zinc/53/03/03/557530303.db2.gz OPOIQEOWFCLOOR-IBGZPJMESA-N -1 1 438.549 4.302 40 0 IIABMM CCc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000223930900 557530492 /nfs/dbraw/zinc/53/04/92/557530492.db2.gz DREFGQXRVCQMFI-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM COc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223958379 557534627 /nfs/dbraw/zinc/53/46/27/557534627.db2.gz XJCVZJXNMYPSPG-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM CCOc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)c1 ZINC000223984761 557539367 /nfs/dbraw/zinc/53/93/67/557539367.db2.gz LJVSOXSTBUEUML-UHFFFAOYSA-N -1 1 426.494 4.147 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccc(C)cc3)cc2)cc1 ZINC000223984548 557539423 /nfs/dbraw/zinc/53/94/23/557539423.db2.gz AJZLOTRCETVNMO-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM Cc1ccc(OC[C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1C ZINC000224026513 557547162 /nfs/dbraw/zinc/54/71/62/557547162.db2.gz PAYJFBUPFMTDCI-IBGZPJMESA-N -1 1 438.549 4.302 40 0 IIABMM CCOc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000224037630 557549327 /nfs/dbraw/zinc/54/93/27/557549327.db2.gz ZKPZHYKSYIKGPA-UHFFFAOYSA-N -1 1 426.494 4.147 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cccc(F)c3)cc2C)cc1 ZINC000224091926 557559514 /nfs/dbraw/zinc/55/95/14/557559514.db2.gz ZDSLMQCYIWDNEO-UHFFFAOYSA-N -1 1 442.512 4.216 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc4c(c3)OCO4)cc2)c1 ZINC000224567289 557624643 /nfs/dbraw/zinc/62/46/43/557624643.db2.gz FVBLWQZZNXTTDN-UHFFFAOYSA-N -1 1 438.505 4.096 40 0 IIABMM CC(C)n1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)ccc21 ZINC000225702672 557766661 /nfs/dbraw/zinc/76/66/61/557766661.db2.gz OYNYOAWTUWCTRO-UHFFFAOYSA-N -1 1 427.345 4.207 40 0 IIABMM CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000226080897 557804733 /nfs/dbraw/zinc/80/47/33/557804733.db2.gz LUKGNMJCWKHHDR-UHFFFAOYSA-N -1 1 445.368 4.335 40 0 IIABMM Cc1nnc([N-]c2cccc([C@@H]3CN(C(=O)CCCc4ccc(F)cc4)CCO3)n2)s1 ZINC000257201015 568665341 /nfs/dbraw/zinc/66/53/41/568665341.db2.gz AFUVSBFXTIVIRB-IBGZPJMESA-N -1 1 441.532 4.047 40 0 IIABMM Cc1nnc([N-]c2cccc([C@H]3CN(Cc4ccc5c(c4)CC(C)(C)O5)CCO3)n2)s1 ZINC000257304273 568713334 /nfs/dbraw/zinc/71/33/34/568713334.db2.gz SKVVNWWTKHGAAD-HXUWFJFHSA-N -1 1 437.569 4.272 40 0 IIABMM CCOC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000010314542 569222591 /nfs/dbraw/zinc/22/25/91/569222591.db2.gz ZMTJPYIWBCUMKQ-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(=O)N1CCCC1 ZINC000026114589 569242309 /nfs/dbraw/zinc/24/23/09/569242309.db2.gz IQYVKNUHGNFODW-UHFFFAOYSA-N -1 1 444.500 4.464 40 0 IIABMM CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000033636049 569245206 /nfs/dbraw/zinc/24/52/06/569245206.db2.gz GHZFUYWILKSFFH-GFCCVEGCSA-N -1 1 431.341 4.088 40 0 IIABMM COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c(OC)c1 ZINC000034827917 569247602 /nfs/dbraw/zinc/24/76/02/569247602.db2.gz OWFBRRWPJGUMLT-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM CCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018024695 569284169 /nfs/dbraw/zinc/28/41/69/569284169.db2.gz NGTLWSVKRQPSLZ-SGNDLWITSA-N -1 1 428.488 4.445 40 0 IIABMM CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000020491519 523041841 /nfs/dbraw/zinc/04/18/41/523041841.db2.gz PUNYZCVVJRJPBG-OAQYLSRUSA-N -1 1 428.485 4.423 40 0 IIABMM COc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1OC ZINC000022532680 524627968 /nfs/dbraw/zinc/62/79/68/524627968.db2.gz PHHMYEDGQNAQIC-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408555475 555888476 /nfs/dbraw/zinc/88/84/76/555888476.db2.gz XEPMIASCEZZXMQ-ZDUSSCGKSA-N -1 1 445.368 4.478 40 0 IIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)NC1CCCC1 ZINC000035146916 555898389 /nfs/dbraw/zinc/89/83/89/555898389.db2.gz SBLYFKKLXQYVMJ-UHFFFAOYSA-N -1 1 443.352 4.232 40 0 IIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)NC1CCCCCC1 ZINC000408589278 555940116 /nfs/dbraw/zinc/94/01/16/555940116.db2.gz GTWZBWUXTNTRQQ-UHFFFAOYSA-N -1 1 436.961 4.359 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1C(=O)N1CCCC1 ZINC000408693145 556093554 /nfs/dbraw/zinc/09/35/54/556093554.db2.gz JIGQEMQPIYQYIC-UHFFFAOYSA-N -1 1 429.325 4.039 40 0 IIABMM CCOC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000013669926 556550743 /nfs/dbraw/zinc/55/07/43/556550743.db2.gz NSPTUYFUEIVVRV-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)ccc1OC ZINC000013680007 556556441 /nfs/dbraw/zinc/55/64/41/556556441.db2.gz MUURDRVWPCCBGJ-UHFFFAOYSA-N -1 1 428.535 4.007 40 0 IIABMM COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000068935488 556850194 /nfs/dbraw/zinc/85/01/94/556850194.db2.gz FMIZXMBSNNLSPF-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM Cc1c(Cl)cccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000408911367 556888129 /nfs/dbraw/zinc/88/81/29/556888129.db2.gz NEYHFLVYRZBFIR-UHFFFAOYSA-N -1 1 436.942 4.250 40 0 IIABMM Cc1nnc([N-]c2cccc(C3CCN(S(=O)(=O)c4ccc(F)cc4C)CC3)n2)s1 ZINC000072376175 556954266 /nfs/dbraw/zinc/95/42/66/556954266.db2.gz XMGNIYQIADFPNJ-UHFFFAOYSA-N -1 1 447.561 4.001 40 0 IIABMM CCc1nnc([N-]c2cccc(C3CCN(CC(=O)Nc4ccccc4F)CC3)n2)s1 ZINC000072376140 556954322 /nfs/dbraw/zinc/95/43/22/556954322.db2.gz FKKDEITXTWSZRQ-UHFFFAOYSA-N -1 1 440.548 4.196 40 0 IIABMM CCOc1cccc(CNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000020110510 556985234 /nfs/dbraw/zinc/98/52/34/556985234.db2.gz AYNFIPHVLOLXEF-UHFFFAOYSA-N -1 1 444.940 4.470 40 0 IIABMM COc1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000409382604 557091124 /nfs/dbraw/zinc/09/11/24/557091124.db2.gz VAHIRIQPCXBZOJ-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 ZINC000020765761 557127717 /nfs/dbraw/zinc/12/77/17/557127717.db2.gz GDXOHNKCPIPQIH-UHFFFAOYSA-N -1 1 434.517 4.283 40 0 IIABMM O=C(NCCSCc1ccccc1F)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010112066 557204437 /nfs/dbraw/zinc/20/44/37/557204437.db2.gz AAPGVMSRMKSRTQ-UHFFFAOYSA-N -1 1 444.553 4.290 40 0 IIABMM COC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c1C ZINC000010314211 557215314 /nfs/dbraw/zinc/21/53/14/557215314.db2.gz CTEZPQWKILCRKF-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000015268680 557460065 /nfs/dbraw/zinc/46/00/65/557460065.db2.gz GNVABKZTVWPWIW-UHFFFAOYSA-N -1 1 437.521 4.315 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCc3ccc(F)cc3)c2)c1 ZINC000223951689 557533278 /nfs/dbraw/zinc/53/32/78/557533278.db2.gz ZCIGMGQOYURUND-UHFFFAOYSA-N -1 1 426.513 4.298 40 0 IIABMM CC(C)(C)SCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223975147 557537600 /nfs/dbraw/zinc/53/76/00/557537600.db2.gz HMFYCQHVZOZXMC-UHFFFAOYSA-N -1 1 426.991 4.402 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(SC)c3)cc2)cc1 ZINC000223983216 557539186 /nfs/dbraw/zinc/53/91/86/557539186.db2.gz MAXONTHJABDYTH-UHFFFAOYSA-N -1 1 428.535 4.470 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2)cc1 ZINC000223985670 557539409 /nfs/dbraw/zinc/53/94/09/557539409.db2.gz OXDRWVCMAHMNDW-OAHLLOKOSA-N -1 1 428.485 4.126 40 0 IIABMM COc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1OC ZINC000224028949 557547656 /nfs/dbraw/zinc/54/76/56/557547656.db2.gz NMGJNVKLXSIJLQ-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCc3cccc(C)c3)c2)cc1 ZINC000224042361 557550054 /nfs/dbraw/zinc/55/00/54/557550054.db2.gz VGPSQJPIAWWKCM-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM Cc1ccc(C(=O)NCCc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224048839 557551669 /nfs/dbraw/zinc/55/16/69/557551669.db2.gz SVHCUAOIPQOQMB-UHFFFAOYSA-N -1 1 428.941 4.422 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3ccccc3C)c2)cc1 ZINC000224070920 557555167 /nfs/dbraw/zinc/55/51/67/557555167.db2.gz YCEUSVLTSGCCFK-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(Cl)c3)cc2)cc1 ZINC000224084368 557558480 /nfs/dbraw/zinc/55/84/80/557558480.db2.gz YPCGECRAGZQQII-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM COc1cccc(CNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224101919 557561027 /nfs/dbraw/zinc/56/10/27/557561027.db2.gz RUDQKCRDQHTDJE-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM CC(C)CSc1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000224146226 557566482 /nfs/dbraw/zinc/56/64/82/557566482.db2.gz AXBVXRQUASTTIJ-UHFFFAOYSA-N -1 1 448.595 4.339 40 0 IIABMM O=C(NCCc1ccc(F)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224398637 557601783 /nfs/dbraw/zinc/60/17/83/557601783.db2.gz CWMWEIXMLDAAPU-UHFFFAOYSA-N -1 1 432.904 4.252 40 0 IIABMM Cc1ccccc1OCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000224402474 557602310 /nfs/dbraw/zinc/60/23/10/557602310.db2.gz ZFDWAAYYMRWYMH-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)c1 ZINC000224544650 557619598 /nfs/dbraw/zinc/61/95/98/557619598.db2.gz QRPBBLRTMBFMNW-UHFFFAOYSA-N -1 1 440.521 4.130 40 0 IIABMM Cc1ccc(C)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3F)cc2)c1 ZINC000224548947 557620905 /nfs/dbraw/zinc/62/09/05/557620905.db2.gz ZWHFWVXWMJQXCL-UHFFFAOYSA-N -1 1 448.541 4.185 40 0 IIABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3F)cc2)cc1C ZINC000224549164 557620949 /nfs/dbraw/zinc/62/09/49/557620949.db2.gz LQSXLWWVUFJZFN-UHFFFAOYSA-N -1 1 448.541 4.185 40 0 IIABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)c1 ZINC000028207025 557647294 /nfs/dbraw/zinc/64/72/94/557647294.db2.gz CEDOXYYCDGACPK-MRXNPFEDSA-N -1 1 434.517 4.281 40 0 IIABMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)c1 ZINC000028207137 557647705 /nfs/dbraw/zinc/64/77/05/557647705.db2.gz XHVWVUYWUGBOSP-MRXNPFEDSA-N -1 1 449.532 4.037 40 0 IIABMM COc1cc2c(cc1CN1CCO[C@H](c3cccc([N-]c4nnc(C)s4)n3)C1)CCC2 ZINC000257329173 568723952 /nfs/dbraw/zinc/72/39/52/568723952.db2.gz XIUQWFKOFSICSW-NRFANRHFSA-N -1 1 437.569 4.056 40 0 IIABMM O=C(NCCSCc1ccccc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010314243 569222569 /nfs/dbraw/zinc/22/25/69/569222569.db2.gz BVFDFTMFMKQZDH-UHFFFAOYSA-N -1 1 426.563 4.151 40 0 IIABMM COC(=O)c1ccc(Cl)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000010363466 569223789 /nfs/dbraw/zinc/22/37/89/569223789.db2.gz OXSSHFGCWCWGBQ-UHFFFAOYSA-N -1 1 444.896 4.180 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCCC1 ZINC000026115219 569242355 /nfs/dbraw/zinc/24/23/55/569242355.db2.gz IGRMVNASLHDYBX-UHFFFAOYSA-N -1 1 444.500 4.464 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1NC(=O)c1ccccc1F ZINC000034719173 569247394 /nfs/dbraw/zinc/24/73/94/569247394.db2.gz DYZCVMRAKQLXOA-UHFFFAOYSA-N -1 1 442.468 4.090 40 0 IIABMM CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000017751813 569265114 /nfs/dbraw/zinc/26/51/14/569265114.db2.gz DGJULFFNUSNKAN-SGNDLWITSA-N -1 1 444.487 4.150 40 0 IIABMM COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)c1 ZINC000018046018 569284354 /nfs/dbraw/zinc/28/43/54/569284354.db2.gz YCFGGOFKEXXIIW-HJOGWXRNSA-N -1 1 428.488 4.363 40 0 IIABMM O=C1N[C@@H](c2ccc(Cl)cc2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915321 569292331 /nfs/dbraw/zinc/29/23/31/569292331.db2.gz ZNMZCTBQRLPDHG-ZQIUZPCESA-N -1 1 433.213 4.097 40 0 IIABMM Cc1ccc([C@@H](CCC(=O)[O-])N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000408612420 193979375 /nfs/dbraw/zinc/97/93/75/193979375.db2.gz VWKKTAPCNHCZRY-HXUWFJFHSA-N -1 1 445.357 4.121 40 0 IIABMM O=C(Nc1ccc2c(c1)OCO2)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020488913 527290312 /nfs/dbraw/zinc/29/03/12/527290312.db2.gz IMRGYKDFZFYBJV-UHFFFAOYSA-N -1 1 430.869 4.122 40 0 IIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)N1CCCCC1 ZINC000408560706 555902024 /nfs/dbraw/zinc/90/20/24/555902024.db2.gz PNBGLLUUGBMYAR-UHFFFAOYSA-N -1 1 443.352 4.186 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)c1 ZINC000408588454 555940493 /nfs/dbraw/zinc/94/04/93/555940493.db2.gz GIBJCEQMZWZFJH-UHFFFAOYSA-N -1 1 440.521 4.130 40 0 IIABMM CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408598192 555956605 /nfs/dbraw/zinc/95/66/05/555956605.db2.gz XTPBCWINCDAJEF-ZDUSSCGKSA-N -1 1 445.368 4.334 40 0 IIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1ccccc1F ZINC000408601346 555969775 /nfs/dbraw/zinc/96/97/75/555969775.db2.gz FUGBCRAUEPXXMA-UHFFFAOYSA-N -1 1 434.876 4.297 40 0 IIABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1 ZINC000408602294 555971398 /nfs/dbraw/zinc/97/13/98/555971398.db2.gz CSTMWRBIIKCENE-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408611960 555977001 /nfs/dbraw/zinc/97/70/01/555977001.db2.gz XOCUXQSXLDVESO-UHFFFAOYSA-N -1 1 446.912 4.167 40 0 IIABMM CC(C)CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408636883 556019628 /nfs/dbraw/zinc/01/96/28/556019628.db2.gz VMBRHMOFCCUMOI-UHFFFAOYSA-N -1 1 445.368 4.335 40 0 IIABMM Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000030871922 556513712 /nfs/dbraw/zinc/51/37/12/556513712.db2.gz ZEIRNCCRGFDHCT-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1C ZINC000031980816 556528158 /nfs/dbraw/zinc/52/81/58/556528158.db2.gz YNRXQIRACWLZJX-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)ccc1OC ZINC000013678013 556555419 /nfs/dbraw/zinc/55/54/19/556555419.db2.gz KCDKVYXVQYKEMZ-UHFFFAOYSA-N -1 1 442.562 4.397 40 0 IIABMM Cc1ccc2nc(C[C@H]3CN(C(=O)c4ccc(Cl)cc4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514288504 556624656 /nfs/dbraw/zinc/62/46/56/556624656.db2.gz GQGJKZALGAMOBP-IRXDYDNUSA-N -1 1 425.916 4.320 40 0 biogenic,in-vitro IIABMM CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000101173079 556635543 /nfs/dbraw/zinc/63/55/43/556635543.db2.gz BSHNXEWKJQWCMI-HJOGWXRNSA-N -1 1 444.487 4.150 40 0 IIABMM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1OC ZINC000058058970 556756009 /nfs/dbraw/zinc/75/60/09/556756009.db2.gz LGKYMPAZSXTZEM-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c(Cl)c3)C2=O)cc1 ZINC000409099145 556954332 /nfs/dbraw/zinc/95/43/32/556954332.db2.gz SGPHNSZRWYKVQB-LICLKQGHSA-N -1 1 432.885 4.119 40 0 IIABMM O=C(c1ccccc1[O-])N1CC2(CCOCC2)c2cc(-c3cnn(CC4CC4)c3)ccc21 ZINC000585105672 557037564 /nfs/dbraw/zinc/03/75/64/557037564.db2.gz AUASANQGTIKPHA-UHFFFAOYSA-N -1 1 429.520 4.374 40 0 IIABMM CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102739996 557132208 /nfs/dbraw/zinc/13/22/08/557132208.db2.gz DGJULFFNUSNKAN-TZRRMPRUSA-N -1 1 444.487 4.150 40 0 IIABMM CCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)s1 ZINC000222552416 557350432 /nfs/dbraw/zinc/35/04/32/557350432.db2.gz VPVVZQDWJMWCOM-UHFFFAOYSA-N -1 1 448.595 4.320 40 0 IIABMM CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)s1 ZINC000223286970 557456046 /nfs/dbraw/zinc/45/60/46/557456046.db2.gz YKSXKQSWQYTEOX-UHFFFAOYSA-N -1 1 448.595 4.238 40 0 IIABMM COC[C@@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000223425758 557471097 /nfs/dbraw/zinc/47/10/97/557471097.db2.gz KOCGJXGYKJZZGP-CQSZACIVSA-N -1 1 440.949 4.153 40 0 IIABMM CC(C)c1ccccc1OCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000223766837 557510402 /nfs/dbraw/zinc/51/04/02/557510402.db2.gz HNNFFJWKUNOJCS-UHFFFAOYSA-N -1 1 438.549 4.420 40 0 IIABMM Cc1ccc(CSCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000223917383 557528582 /nfs/dbraw/zinc/52/85/82/557528582.db2.gz MISGUWDQKLHXAG-UHFFFAOYSA-N -1 1 440.590 4.459 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccc(F)cc3)ccc2C)c1 ZINC000223942289 557531829 /nfs/dbraw/zinc/53/18/29/557531829.db2.gz MXSNZNAZXYOUOT-UHFFFAOYSA-N -1 1 426.513 4.216 40 0 IIABMM COc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000223944254 557532162 /nfs/dbraw/zinc/53/21/62/557532162.db2.gz SHOFNRZUMVGVNU-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3)ccc2C)cc1C ZINC000223947515 557532727 /nfs/dbraw/zinc/53/27/27/557532727.db2.gz POPIPRACVBVYEN-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCSCc3ccccc3)c2)cc1 ZINC000223954491 557533887 /nfs/dbraw/zinc/53/38/87/557533887.db2.gz KABWZGWTVMAZLZ-UHFFFAOYSA-N -1 1 440.590 4.459 40 0 IIABMM O=C(NCCOc1ccccc1Cl)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000223970095 557536437 /nfs/dbraw/zinc/53/64/37/557536437.db2.gz BUBQBZNCAKXXDT-UHFFFAOYSA-N -1 1 448.903 4.089 40 0 IIABMM Cc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000223979182 557538362 /nfs/dbraw/zinc/53/83/62/557538362.db2.gz XCSQERQIKOLGCZ-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)cc1 ZINC000223994937 557541041 /nfs/dbraw/zinc/54/10/41/557541041.db2.gz ZKKBEITYKYBKJP-UHFFFAOYSA-N -1 1 442.518 4.190 40 0 IIABMM COC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224032712 557548290 /nfs/dbraw/zinc/54/82/90/557548290.db2.gz WVKQRKONKVKMAS-UHFFFAOYSA-N -1 1 444.896 4.180 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(OC)c(Cl)c3)c2)cc1 ZINC000224040197 557550132 /nfs/dbraw/zinc/55/01/32/557550132.db2.gz QXMALDCQBALGDJ-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM CCOc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(OC)cc3)c2)c1 ZINC000224042446 557550197 /nfs/dbraw/zinc/55/01/97/557550197.db2.gz FOIAMCWIAAJHCF-UHFFFAOYSA-N -1 1 426.494 4.147 40 0 IIABMM Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224046683 557551142 /nfs/dbraw/zinc/55/11/42/557551142.db2.gz ODOAUJOGKMLBCI-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCc1ccc(Cl)cc1 ZINC000224077908 557556523 /nfs/dbraw/zinc/55/65/23/557556523.db2.gz XTMMNQMJCZMRRA-UHFFFAOYSA-N -1 1 428.941 4.422 40 0 IIABMM Cc1ccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c(C)c1 ZINC000224079334 557557114 /nfs/dbraw/zinc/55/71/14/557557114.db2.gz GZCSGEUKIOTSPV-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccco3)ccc2C)c1 ZINC000031252923 557796501 /nfs/dbraw/zinc/79/65/01/557796501.db2.gz VBIGZPYOLRJMID-UHFFFAOYSA-N -1 1 444.578 4.360 40 0 IIABMM CCc1nc(C)c(C(=O)N2CCC[C@H](c3cccc([N-]c4nnc(CC)s4)n3)C2)o1 ZINC000257226542 568677396 /nfs/dbraw/zinc/67/73/96/568677396.db2.gz FLBKKHYZUPHBIT-AWEZNQCLSA-N -1 1 426.546 4.118 40 0 IIABMM CCOC(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010313836 569222365 /nfs/dbraw/zinc/22/23/65/569222365.db2.gz WULSLYLHDUFZQB-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000010314488 569222501 /nfs/dbraw/zinc/22/25/01/569222501.db2.gz XSLWNWXKVIODNE-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3ccccc3)c2)cc1 ZINC000010314268 569222551 /nfs/dbraw/zinc/22/25/51/569222551.db2.gz GAPJDRDPSYFTEB-UHFFFAOYSA-N -1 1 440.590 4.459 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2C)c1 ZINC000017358339 569225953 /nfs/dbraw/zinc/22/59/53/569225953.db2.gz DGVJNWJOPDOOCA-UHFFFAOYSA-N -1 1 449.576 4.067 40 0 IIABMM COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1OC ZINC000033664765 569245626 /nfs/dbraw/zinc/24/56/26/569245626.db2.gz OKUYHAXCAYGDEG-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM CCOc1cc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000018061339 569284794 /nfs/dbraw/zinc/28/47/94/569284794.db2.gz RJMNYYGBCXEPKN-SGNDLWITSA-N -1 1 444.487 4.150 40 0 IIABMM Cc1ccc(C(=O)NCCSCc2ccco2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408548228 555803164 /nfs/dbraw/zinc/80/31/64/555803164.db2.gz QSCPAGFXYHCRNL-UHFFFAOYSA-N -1 1 430.551 4.052 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3)c2)c1 ZINC000408556422 555893954 /nfs/dbraw/zinc/89/39/54/555893954.db2.gz IIPBRNOLYMOLHV-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM CC(=O)Nc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000408603036 555972259 /nfs/dbraw/zinc/97/22/59/555972259.db2.gz DZODIMIXTAAUNI-UHFFFAOYSA-N -1 1 437.521 4.315 40 0 IIABMM COc1cc(OC)c(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(OC)c1 ZINC000408632314 556005642 /nfs/dbraw/zinc/00/56/42/556005642.db2.gz DDYXZJGWKCBHOA-YVLHZVERSA-N -1 1 447.900 4.369 40 0 IIABMM CCOc1ccccc1C=C(Sc1nc(-c2cc(OC)cc(OC)c2)n[nH]1)C(=O)[O-] ZINC000408634208 556011185 /nfs/dbraw/zinc/01/11/85/556011185.db2.gz SCCGAKYRQMFFKF-WQRHYEAKSA-N -1 1 427.482 4.105 40 0 IIABMM CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408636737 556019606 /nfs/dbraw/zinc/01/96/06/556019606.db2.gz UPEXOVAJGMJGCR-UHFFFAOYSA-N -1 1 431.341 4.088 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1C(=O)N1CCCCCC1 ZINC000408693080 556093209 /nfs/dbraw/zinc/09/32/09/556093209.db2.gz FXPGXHFSRUHGBN-UHFFFAOYSA-N -1 1 436.961 4.474 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1C(=O)N1CCC(C)CC1 ZINC000408705491 556111551 /nfs/dbraw/zinc/11/15/51/556111551.db2.gz GYONUWGSRDESDA-UHFFFAOYSA-N -1 1 434.583 4.090 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1C(=O)N1CCC(C)CC1 ZINC000408706421 556112880 /nfs/dbraw/zinc/11/28/80/556112880.db2.gz PXVXZVCWNUPVTI-UHFFFAOYSA-N -1 1 436.961 4.330 40 0 IIABMM COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1OC ZINC000009903920 556315843 /nfs/dbraw/zinc/31/58/43/556315843.db2.gz ACVUZIHZIBKRHI-UHFFFAOYSA-N -1 1 440.521 4.076 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3ccco3)c2)cc1 ZINC000010112762 556326307 /nfs/dbraw/zinc/32/63/07/556326307.db2.gz GOOVVDXFVLRFFD-UHFFFAOYSA-N -1 1 430.551 4.052 40 0 IIABMM COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)c4ccccc4[O-])c3)s2)cc1 ZINC000039748306 556438407 /nfs/dbraw/zinc/43/84/07/556438407.db2.gz VHSSULXVWQXWRU-UHFFFAOYSA-N -1 1 446.488 4.424 40 0 IIABMM Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c1 ZINC000015438831 556528169 /nfs/dbraw/zinc/52/81/69/556528169.db2.gz PRJQGOQKVGSECV-UHFFFAOYSA-N -1 1 430.913 4.467 40 0 IIABMM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c(OC)c1 ZINC000016635611 556618885 /nfs/dbraw/zinc/61/88/85/556618885.db2.gz XWADJLBKHOTRCS-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCc3ccc(Cl)cc3)c2)cc1 ZINC000017297863 556674816 /nfs/dbraw/zinc/67/48/16/556674816.db2.gz FMOHWIDCEMLOFR-UHFFFAOYSA-N -1 1 428.941 4.422 40 0 IIABMM Cc1ccc(OCCCC(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)c(C)c1 ZINC000019132773 556704632 /nfs/dbraw/zinc/70/46/32/556704632.db2.gz ZEWMBALCFSOHCQ-IBGZPJMESA-N -1 1 432.524 4.036 40 0 IIABMM CCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101197191 556762116 /nfs/dbraw/zinc/76/21/16/556762116.db2.gz NGTLWSVKRQPSLZ-HJOGWXRNSA-N -1 1 428.488 4.445 40 0 IIABMM C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc([N-]C(=O)c2c(F)cccc2F)s1 ZINC000001381553 556796872 /nfs/dbraw/zinc/79/68/72/556796872.db2.gz SWJUVQIUZOCHEB-LLVKDONJSA-N -1 1 446.504 4.139 40 0 IIABMM CC(=O)c1c2nn(-c3nc4ccccc4s3)c(=O)c-2c(C)n(CCc2ccccc2)c1[O-] ZINC000019894170 556940378 /nfs/dbraw/zinc/94/03/78/556940378.db2.gz RVEDWYXDZOUYFA-UHFFFAOYSA-N -1 1 444.516 4.208 40 0 IIABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)c1 ZINC000008810714 557173191 /nfs/dbraw/zinc/17/31/91/557173191.db2.gz LNNJCCOBJYECQX-UHFFFAOYSA-N -1 1 430.432 4.221 40 0 IIABMM COC(=O)c1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1Cl ZINC000010314486 557215713 /nfs/dbraw/zinc/21/57/13/557215713.db2.gz AQVKAVHFMZCTTA-UHFFFAOYSA-N -1 1 444.896 4.180 40 0 IIABMM COc1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c(OC)c1 ZINC000010314832 557216001 /nfs/dbraw/zinc/21/60/01/557216001.db2.gz OBUNAUWHPDVCIN-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM COC(=O)c1cn(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c2ccccc12 ZINC000222593765 557357914 /nfs/dbraw/zinc/35/79/14/557357914.db2.gz ZDZLZDQJIPGCMZ-UHFFFAOYSA-N -1 1 448.500 4.226 40 0 IIABMM CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000014396173 557434958 /nfs/dbraw/zinc/43/49/58/557434958.db2.gz GRFKOLSSNBTJLN-QFIPXVFZSA-N -1 1 440.521 4.292 40 0 IIABMM COC(=O)c1ccc(N[C@@H](C)c2ccccc2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223418496 557469687 /nfs/dbraw/zinc/46/96/87/557469687.db2.gz QNQFRAAAUSRUKA-INIZCTEOSA-N -1 1 440.521 4.456 40 0 IIABMM COC(=O)c1ccc(NC2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223417884 557469711 /nfs/dbraw/zinc/46/97/11/557469711.db2.gz BFSOZCDFWUMLPO-UHFFFAOYSA-N -1 1 432.542 4.417 40 0 IIABMM COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c(OC)c1 ZINC000016635604 557474985 /nfs/dbraw/zinc/47/49/85/557474985.db2.gz QUTNSJVGLCUWOW-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OCCc3ccccc3)c2)ccc1C ZINC000223825127 557517675 /nfs/dbraw/zinc/51/76/75/557517675.db2.gz YLBMESGYQLDUNZ-UHFFFAOYSA-N -1 1 425.506 4.204 40 0 IIABMM CCOc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000223927836 557529765 /nfs/dbraw/zinc/52/97/65/557529765.db2.gz CEGHXWTVYLOIFN-UHFFFAOYSA-N -1 1 438.549 4.249 40 0 IIABMM O=C(NCCCc1ccc(F)cc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000223968688 557536117 /nfs/dbraw/zinc/53/61/17/557536117.db2.gz NXSPICNWIYACMC-UHFFFAOYSA-N -1 1 430.476 4.128 40 0 IIABMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1OC ZINC000223973549 557537287 /nfs/dbraw/zinc/53/72/87/557537287.db2.gz OEMXBDLEISTAMR-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM CCOc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000223980893 557538552 /nfs/dbraw/zinc/53/85/52/557538552.db2.gz JRJAYSQNBLGTRK-UHFFFAOYSA-N -1 1 426.494 4.147 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)cc1 ZINC000223986567 557539677 /nfs/dbraw/zinc/53/96/77/557539677.db2.gz ZLJDFWRCMXCFCY-GOSISDBHSA-N -1 1 438.549 4.247 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(C)ccc3OC)cc2C)cc1 ZINC000224012255 557544061 /nfs/dbraw/zinc/54/40/61/557544061.db2.gz ISBSTOQRXKFUCU-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM COC(=O)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224028715 557547365 /nfs/dbraw/zinc/54/73/65/557547365.db2.gz CHSUTEFXCFCUEX-UHFFFAOYSA-N -1 1 444.896 4.180 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)cc1 ZINC000224038522 557549621 /nfs/dbraw/zinc/54/96/21/557549621.db2.gz UZEKGSXVVPAURT-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3ccccc3)c2)cc1 ZINC000224069105 557554963 /nfs/dbraw/zinc/55/49/63/557554963.db2.gz KSHMQQOUMQAUDF-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM CCOc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000224076971 557556235 /nfs/dbraw/zinc/55/62/35/557556235.db2.gz UUWNRISVHSYGAZ-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM COc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 ZINC000224090943 557559527 /nfs/dbraw/zinc/55/95/27/557559527.db2.gz UKJPDNVURMGSOV-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM COc1cccc(CN(C)C(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000224101466 557561111 /nfs/dbraw/zinc/56/11/11/557561111.db2.gz QHFPNZHTJAJDAB-UHFFFAOYSA-N -1 1 438.549 4.385 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3)cc2)c1 ZINC000224544136 557619512 /nfs/dbraw/zinc/61/95/12/557619512.db2.gz VRUNUFLLFVPUHD-KRWDZBQOSA-N -1 1 440.521 4.210 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(Cl)c3)cc2)c1 ZINC000224571155 557625277 /nfs/dbraw/zinc/62/52/77/557625277.db2.gz HTCXKTZANZQVGW-UHFFFAOYSA-N -1 1 446.912 4.167 40 0 IIABMM COc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000224573622 557625515 /nfs/dbraw/zinc/62/55/15/557625515.db2.gz YSBYIHYJIOMBQJ-UHFFFAOYSA-N -1 1 446.912 4.167 40 0 IIABMM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c1OC ZINC000225044399 557682370 /nfs/dbraw/zinc/68/23/70/557682370.db2.gz LAQBSCQJMMLTGI-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM COc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c(OC)c1 ZINC000010314393 569222511 /nfs/dbraw/zinc/22/25/11/569222511.db2.gz HKFRMODSJXKSNR-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM CCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)s1 ZINC000021280993 521797417 /nfs/dbraw/zinc/79/74/17/521797417.db2.gz UXPNGRYWCIWNAH-UHFFFAOYSA-N -1 1 448.595 4.320 40 0 IIABMM CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000020460108 522885750 /nfs/dbraw/zinc/88/57/50/522885750.db2.gz ZMMJDKOZDVSBTP-QFIPXVFZSA-N -1 1 440.521 4.292 40 0 IIABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1NC(=O)c1ccccc1F ZINC000408560760 555902340 /nfs/dbraw/zinc/90/23/40/555902340.db2.gz PWDIJXVVUFECAW-UHFFFAOYSA-N -1 1 444.484 4.286 40 0 IIABMM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2)cc1 ZINC000408587540 555937939 /nfs/dbraw/zinc/93/79/39/555937939.db2.gz DTDBYXCMFNVQNF-UHFFFAOYSA-N -1 1 440.521 4.076 40 0 IIABMM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)C(=O)NC1CCCCC1 ZINC000408591354 555954852 /nfs/dbraw/zinc/95/48/52/555954852.db2.gz LHPVPEOAJFAIRH-HNNXBMFYSA-N -1 1 436.961 4.357 40 0 IIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CC(=O)Nc4ccccc43)ccc2C)c1 ZINC000408617551 555988395 /nfs/dbraw/zinc/98/83/95/555988395.db2.gz HBTRIDOITRSBSS-UHFFFAOYSA-N -1 1 449.532 4.012 40 0 IIABMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1OC ZINC000408625877 555996319 /nfs/dbraw/zinc/99/63/19/555996319.db2.gz ULFICOIFAHPVMY-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)cc1C(=O)N1CCCCCC1 ZINC000408693105 556093060 /nfs/dbraw/zinc/09/30/60/556093060.db2.gz HHLBIJKQPJRWLG-UHFFFAOYSA-N -1 1 446.569 4.299 40 0 IIABMM COc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1OC ZINC000010336216 556332758 /nfs/dbraw/zinc/33/27/58/556332758.db2.gz CLQKBBXSYXZNFW-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM COc1ccc(OC)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c1 ZINC000010336287 556332859 /nfs/dbraw/zinc/33/28/59/556332859.db2.gz DTBNQJVMVZTECO-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1C ZINC000029154854 556468885 /nfs/dbraw/zinc/46/88/85/556468885.db2.gz YCVWUFXHUBBDEN-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM COc1ccc2nc(C[C@H]3CN(C(=O)c4ccc(Cl)cc4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289704 556623947 /nfs/dbraw/zinc/62/39/47/556623947.db2.gz YUPHFBFVHQELJZ-HOTGVXAUSA-N -1 1 441.915 4.021 40 0 biogenic,in-vitro IIABMM Cc1cccc(C)c1-n1c(C)nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c2c1=S ZINC000040386899 556636054 /nfs/dbraw/zinc/63/60/54/556636054.db2.gz IKIMYMKOMIGQLS-UHFFFAOYSA-N -1 1 429.549 4.326 40 0 IIABMM C[C@@H]1Cc2ccccc2N1c1nc(N)c(C(=S)Nc2ccc3ccccc3c2)c(=O)[n-]1 ZINC000040385647 556636131 /nfs/dbraw/zinc/63/61/31/556636131.db2.gz VDRSSJLTQKHFPR-CQSZACIVSA-N -1 1 427.533 4.376 40 0 IIABMM Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000058059140 556755973 /nfs/dbraw/zinc/75/59/73/556755973.db2.gz ODOYHHIPPTYFDB-UHFFFAOYSA-N -1 1 430.913 4.467 40 0 IIABMM O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408907747 556885008 /nfs/dbraw/zinc/88/50/08/556885008.db2.gz QMXSIUXCMOVQFR-UHFFFAOYSA-N -1 1 445.338 4.431 40 0 IIABMM COC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000020050611 556974753 /nfs/dbraw/zinc/97/47/53/556974753.db2.gz FZQYIAPLSFMMKW-UHFFFAOYSA-N -1 1 444.896 4.180 40 0 IIABMM COc1ccc(N2OC3=C([O-])N(c4ccc(C)c(C)c4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000102700099 557132799 /nfs/dbraw/zinc/13/27/99/557132799.db2.gz AUDKUVXUPSRQDI-TZRRMPRUSA-N -1 1 428.488 4.363 40 0 IIABMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585931 557356117 /nfs/dbraw/zinc/35/61/17/557356117.db2.gz MKHQRUGGTJSEHK-UHFFFAOYSA-N -1 1 438.958 4.105 40 0 IIABMM COc1cccc(N(C)C(=O)CCc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC000222877263 557396887 /nfs/dbraw/zinc/39/68/87/557396887.db2.gz UKPZRHLZFANZDN-UHFFFAOYSA-N -1 1 438.549 4.400 40 0 IIABMM COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000014401369 557443077 /nfs/dbraw/zinc/44/30/77/557443077.db2.gz VEECOHQFCGTMGQ-QGZVFWFLSA-N -1 1 440.521 4.210 40 0 IIABMM COC(=O)c1ccc(NCc2ccc(C)cc2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223418413 557469699 /nfs/dbraw/zinc/46/96/99/557469699.db2.gz JZQIPFHYNRFXFC-UHFFFAOYSA-N -1 1 440.521 4.203 40 0 IIABMM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]Cc1nc(-c2ccccc2Cl)no1 ZINC000223645757 557496220 /nfs/dbraw/zinc/49/62/20/557496220.db2.gz KIAQCTLSCVOUDX-UHFFFAOYSA-N -1 1 432.716 4.316 40 0 IIABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC000223756769 557509728 /nfs/dbraw/zinc/50/97/28/557509728.db2.gz DZYOPJSTPLIWQX-UHFFFAOYSA-N -1 1 430.551 4.213 40 0 IIABMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Br)c(Cl)c3)ccc21 ZINC000223846750 557519962 /nfs/dbraw/zinc/51/99/62/557519962.db2.gz RQPRWPWXEJKDBO-UHFFFAOYSA-N -1 1 443.750 4.202 40 0 IIABMM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)c(OC)c1 ZINC000223933765 557530846 /nfs/dbraw/zinc/53/08/46/557530846.db2.gz ANCNZZYRCPQYJU-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCCSCc2ccco2)c1 ZINC000223937501 557531319 /nfs/dbraw/zinc/53/13/19/557531319.db2.gz YARYEZMLDBFOBZ-UHFFFAOYSA-N -1 1 430.551 4.052 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(F)cc3)ccc2C)cc1 ZINC000223944922 557532182 /nfs/dbraw/zinc/53/21/82/557532182.db2.gz HRMUZIQSYJKPGT-UHFFFAOYSA-N -1 1 442.512 4.052 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3Cl)c2)cc1 ZINC000223959829 557534852 /nfs/dbraw/zinc/53/48/52/557534852.db2.gz FHRXRWLELLMALB-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccco3)c(Cl)c2)cc1 ZINC000224016907 557545173 /nfs/dbraw/zinc/54/51/73/557545173.db2.gz OBHYZUCDOPSNTP-UHFFFAOYSA-N -1 1 432.929 4.405 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)c(Cl)c2)cc1 ZINC000224023508 557546674 /nfs/dbraw/zinc/54/66/74/557546674.db2.gz VLSLWDNHCNKNDJ-LRDNONRASA-N -1 1 434.945 4.068 40 0 IIABMM CN(CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000224035137 557549049 /nfs/dbraw/zinc/54/90/49/557549049.db2.gz GMGIJYCTYWFYOW-UHFFFAOYSA-N -1 1 443.956 4.007 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSC3CCCCC3)c2)cc1 ZINC000224040657 557550084 /nfs/dbraw/zinc/55/00/84/557550084.db2.gz TZBJVZPQGAFBTF-UHFFFAOYSA-N -1 1 448.610 4.292 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3Cl)c2)cc1 ZINC000224041127 557550108 /nfs/dbraw/zinc/55/01/08/557550108.db2.gz GXLYLHOXRJTCGG-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@H](C)COc3ccccc3)ccc2C)cc1 ZINC000224047597 557551393 /nfs/dbraw/zinc/55/13/93/557551393.db2.gz GDIMMHIXWABXAF-LJQANCHMSA-N -1 1 438.549 4.302 40 0 IIABMM COc1ccccc1CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224050992 557551944 /nfs/dbraw/zinc/55/19/44/557551944.db2.gz RUKYNCKXKFPQPK-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224082593 557557838 /nfs/dbraw/zinc/55/78/38/557557838.db2.gz XKUVUULNLOZGPF-UHFFFAOYSA-N -1 1 428.941 4.422 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCOCc3ccccc3)ccc2C)cc1 ZINC000224085297 557558629 /nfs/dbraw/zinc/55/86/29/557558629.db2.gz JARGWILEMGMCFW-UHFFFAOYSA-N -1 1 438.549 4.051 40 0 IIABMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1OC ZINC000224528528 557616898 /nfs/dbraw/zinc/61/68/98/557616898.db2.gz NSZULMOOZYUXGQ-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000224557169 557623032 /nfs/dbraw/zinc/62/30/32/557623032.db2.gz ZNBVIWGACSNZNU-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM CCSc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)s1 ZINC000224658537 557637145 /nfs/dbraw/zinc/63/71/45/557637145.db2.gz TUEUYKRMOMZYFT-UHFFFAOYSA-N -1 1 434.568 4.012 40 0 IIABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)c1 ZINC000028207027 557647329 /nfs/dbraw/zinc/64/73/29/557647329.db2.gz CEDOXYYCDGACPK-INIZCTEOSA-N -1 1 434.517 4.281 40 0 IIABMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)c1 ZINC000028207140 557647813 /nfs/dbraw/zinc/64/78/13/557647813.db2.gz XHVWVUYWUGBOSP-INIZCTEOSA-N -1 1 449.532 4.037 40 0 IIABMM COc1ccc(CCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000010314805 569222573 /nfs/dbraw/zinc/22/25/73/569222573.db2.gz AEALUBSUPRNRPJ-UHFFFAOYSA-N -1 1 438.549 4.085 40 0 IIABMM COc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)c(OC)c1 ZINC000010314769 569222593 /nfs/dbraw/zinc/22/25/93/569222593.db2.gz BOGWMJWORQWXBX-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1OC ZINC000017124653 569225794 /nfs/dbraw/zinc/22/57/94/569225794.db2.gz KYFLNZJLJYQWIA-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM COc1ccc(-c2nc3ccc(Br)cn3c2CN2CCC(C(=O)[O-])CC2)cc1 ZINC000002528861 569407807 /nfs/dbraw/zinc/40/78/07/569407807.db2.gz RQVQVHMJXSYGNY-UHFFFAOYSA-N -1 1 444.329 4.069 40 0 IIABMM COc1ccccc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000022531059 524432947 /nfs/dbraw/zinc/43/29/47/524432947.db2.gz JIWPEWZJWGDKAC-UHFFFAOYSA-N -1 1 438.549 4.385 40 0 IIABMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c(OC)c1 ZINC000020460570 524638285 /nfs/dbraw/zinc/63/82/85/524638285.db2.gz JRBSYSFSCCEHQN-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1N1CCCC1=O ZINC000020451147 525080194 /nfs/dbraw/zinc/08/01/94/525080194.db2.gz HKOLINDVRUJTOZ-UHFFFAOYSA-N -1 1 448.850 4.295 40 0 IIABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cc1 ZINC000408583311 555934749 /nfs/dbraw/zinc/93/47/49/555934749.db2.gz HHMBXJWSKHNNFR-UHFFFAOYSA-N -1 1 445.541 4.072 40 0 IIABMM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)c1 ZINC000408593244 555954831 /nfs/dbraw/zinc/95/48/31/555954831.db2.gz PUBWMUWIIXSPAZ-UHFFFAOYSA-N -1 1 430.913 4.467 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000408595230 555961400 /nfs/dbraw/zinc/96/14/00/555961400.db2.gz UJWADAMXNPNPKS-UHFFFAOYSA-N -1 1 446.912 4.167 40 0 IIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1ccc(F)cc1 ZINC000408610733 555981073 /nfs/dbraw/zinc/98/10/73/555981073.db2.gz VLYVYFVTXQQSNB-UHFFFAOYSA-N -1 1 434.876 4.297 40 0 IIABMM COC(=O)c1ccc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc1 ZINC000408630741 556001791 /nfs/dbraw/zinc/00/17/91/556001791.db2.gz CHFDCNCJMSICCY-SXGWCWSVSA-N -1 1 445.884 4.138 40 0 IIABMM COc1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(OC)c1OC ZINC000408635267 556012486 /nfs/dbraw/zinc/01/24/86/556012486.db2.gz YTHOJRDJMWIQFL-GDNBJRDFSA-N -1 1 447.900 4.369 40 0 IIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c(C)[nH]c4ccccc43)C(=O)[O-])n2)c1 ZINC000408635291 556012493 /nfs/dbraw/zinc/01/24/93/556012493.db2.gz ZXMQMISDFKFMAD-ODLFYWEKSA-N -1 1 436.493 4.496 40 0 IIABMM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000408679500 556074252 /nfs/dbraw/zinc/07/42/52/556074252.db2.gz MOLDTNOOHSQFSN-HXUWFJFHSA-N -1 1 428.485 4.423 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCCCC1 ZINC000408693058 556093069 /nfs/dbraw/zinc/09/30/69/556093069.db2.gz DLGYDIKTAAVCJM-UHFFFAOYSA-N -1 1 442.459 4.141 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(=O)N1CCCCC1 ZINC000408693321 556093801 /nfs/dbraw/zinc/09/38/01/556093801.db2.gz OCNMYPIULWNXSD-UHFFFAOYSA-N -1 1 442.459 4.141 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)cc2)cc1 ZINC000408722510 556148973 /nfs/dbraw/zinc/14/89/73/556148973.db2.gz VBVGJVYGZSJXPS-XXBNENTESA-N -1 1 426.538 4.112 40 0 IIABMM Cc1ccc(CSCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000010334244 556332781 /nfs/dbraw/zinc/33/27/81/556332781.db2.gz NMNIEALPHMWMIB-UHFFFAOYSA-N -1 1 440.590 4.459 40 0 IIABMM O=C(COc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000015438695 556527802 /nfs/dbraw/zinc/52/78/02/556527802.db2.gz HTUGEVAZFFVHON-UHFFFAOYSA-N -1 1 434.876 4.297 40 0 IIABMM C[C@@H](CCc1ccccc1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000015563956 556534994 /nfs/dbraw/zinc/53/49/94/556534994.db2.gz AHSYDXMGFBCJQB-KRWDZBQOSA-N -1 1 426.513 4.378 40 0 IIABMM O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000019933023 556949566 /nfs/dbraw/zinc/94/95/66/556949566.db2.gz SJBRCMLPXXNHQL-UHFFFAOYSA-N -1 1 430.526 4.498 40 0 IIABMM Cc1nnc([N-]c2cccc(C3CCN(S(=O)(=O)c4ccc(C)c(F)c4)CC3)n2)s1 ZINC000072376158 556954163 /nfs/dbraw/zinc/95/41/63/556954163.db2.gz VEOBDERRFPPGHW-UHFFFAOYSA-N -1 1 447.561 4.001 40 0 IIABMM CCOc1ccc(CNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000020108269 556984038 /nfs/dbraw/zinc/98/40/38/556984038.db2.gz WWXZIDSYZJGKOK-UHFFFAOYSA-N -1 1 444.940 4.470 40 0 IIABMM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000409181666 556989799 /nfs/dbraw/zinc/98/97/99/556989799.db2.gz FVPSHVGAMIHQJU-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(I)cc1 ZINC000111944620 557067896 /nfs/dbraw/zinc/06/78/96/557067896.db2.gz QZZAUZJMLQDHMY-UHFFFAOYSA-N -1 1 428.078 4.399 40 0 IIABMM CCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102761037 557132428 /nfs/dbraw/zinc/13/24/28/557132428.db2.gz NGTLWSVKRQPSLZ-TZRRMPRUSA-N -1 1 428.488 4.445 40 0 IIABMM CCOC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000010112270 557204693 /nfs/dbraw/zinc/20/46/93/557204693.db2.gz OKDSFDPWNAJOKE-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM COC(=O)c1cccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000010315263 557216492 /nfs/dbraw/zinc/21/64/92/557216492.db2.gz BQANZAXGUVAYAC-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2C)cc1 ZINC000102862111 557458393 /nfs/dbraw/zinc/45/83/93/557458393.db2.gz DDTYIZYWMBBEOU-TZRRMPRUSA-N -1 1 428.488 4.363 40 0 IIABMM COC(=O)c1ccc(Nc2ccc(C)cc2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223419131 557469949 /nfs/dbraw/zinc/46/99/49/557469949.db2.gz VFGWGIWJGKSIIU-UHFFFAOYSA-N -1 1 426.494 4.335 40 0 IIABMM CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)s1 ZINC000223904841 557527200 /nfs/dbraw/zinc/52/72/00/557527200.db2.gz JAULQVOSTIUDSG-UHFFFAOYSA-N -1 1 448.595 4.238 40 0 IIABMM Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000223944675 557532123 /nfs/dbraw/zinc/53/21/23/557532123.db2.gz XSBVGQCMCGITPE-LJQANCHMSA-N -1 1 438.549 4.302 40 0 IIABMM COc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000223944177 557532157 /nfs/dbraw/zinc/53/21/57/557532157.db2.gz POMDFZPJJXXZEC-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM Cc1ccc(OC[C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC000223969301 557536447 /nfs/dbraw/zinc/53/64/47/557536447.db2.gz RNGRHDVCISYZCW-KRWDZBQOSA-N -1 1 442.512 4.132 40 0 IIABMM COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000223970653 557536666 /nfs/dbraw/zinc/53/66/66/557536666.db2.gz IPBSOMVVSQYHMY-HSZRJFAPSA-N -1 1 436.533 4.303 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC3=CCCCC3)cc2)cc1OC ZINC000223990738 557540654 /nfs/dbraw/zinc/54/06/54/557540654.db2.gz UOGOZDPVJDLIPS-UHFFFAOYSA-N -1 1 444.553 4.125 40 0 IIABMM COc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)cc3)cc2)c1 ZINC000223993431 557540846 /nfs/dbraw/zinc/54/08/46/557540846.db2.gz UYOJGVJKGRALDB-UHFFFAOYSA-N -1 1 428.535 4.470 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(C)cc3)cc2)cc1 ZINC000223994067 557541026 /nfs/dbraw/zinc/54/10/26/557541026.db2.gz QMBMGZRQXMRXKF-UHFFFAOYSA-N -1 1 426.563 4.448 40 0 IIABMM Cc1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000223999884 557541928 /nfs/dbraw/zinc/54/19/28/557541928.db2.gz WVRQXMCMALXNMT-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM COc1ccc(OC)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224028861 557547672 /nfs/dbraw/zinc/54/76/72/557547672.db2.gz JMBZQFOWHYVUCZ-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3ccc(Cl)cc3)c2)cc1 ZINC000224045589 557550890 /nfs/dbraw/zinc/55/08/90/557550890.db2.gz ROEIXAXPWHGGKS-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)c2)cc1 ZINC000224071372 557555267 /nfs/dbraw/zinc/55/52/67/557555267.db2.gz LCJGXCPQTLZTKM-LRDNONRASA-N -1 1 434.945 4.068 40 0 IIABMM CCOc1ccccc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000224082897 557557879 /nfs/dbraw/zinc/55/78/79/557557879.db2.gz NMNRPEYGBXKKOZ-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM CCOc1cccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000224082978 557558057 /nfs/dbraw/zinc/55/80/57/557558057.db2.gz KIBBKFZYBOYSFA-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM COc1cccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000224084182 557558408 /nfs/dbraw/zinc/55/84/08/557558408.db2.gz VZZDSTOXJFUHBD-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC)cc2)c1 ZINC000224541809 557618736 /nfs/dbraw/zinc/61/87/36/557618736.db2.gz CIELXGVGHMULOH-UHFFFAOYSA-N -1 1 428.535 4.470 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)c1 ZINC000224550626 557621175 /nfs/dbraw/zinc/62/11/75/557621175.db2.gz LNQGBIMZUISWHE-UHFFFAOYSA-N -1 1 430.913 4.467 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(N4CCCC4=O)c3)cc2)c1 ZINC000224557286 557622963 /nfs/dbraw/zinc/62/29/63/557622963.db2.gz XUVYGABMVJNQCE-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM O=C(CSCc1ccccc1F)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000224568052 557624853 /nfs/dbraw/zinc/62/48/53/557624853.db2.gz ZJVSILJZCMNHRD-UHFFFAOYSA-N -1 1 430.526 4.498 40 0 IIABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)ccc21 ZINC000225654140 557757387 /nfs/dbraw/zinc/75/73/87/557757387.db2.gz MYNWEXALWUOPHA-UHFFFAOYSA-N -1 1 432.851 4.459 40 0 IIABMM CCSc1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)s1 ZINC000225884422 557788681 /nfs/dbraw/zinc/78/86/81/557788681.db2.gz KJZVVXRZEUUSBN-UHFFFAOYSA-N -1 1 434.568 4.012 40 0 IIABMM CCc1nnc([N-]c2cccc([C@@H]3CN(C(=O)c4cc5c(cccc5C)[nH]4)CCO3)n2)s1 ZINC000257279354 568701876 /nfs/dbraw/zinc/70/18/76/568701876.db2.gz OGFROPOMUCILTH-IBGZPJMESA-N -1 1 448.552 4.243 40 0 IIABMM CS(=O)(=O)c1cn[n-]c1[C@H]1CCCCN1Cc1ccccc1OCc1cccc(F)c1 ZINC000257302035 568712155 /nfs/dbraw/zinc/71/21/55/568712155.db2.gz SBCLYWIXFDAONS-HXUWFJFHSA-N -1 1 443.544 4.259 40 0 IIABMM CS(=O)(=O)c1c[n-]nc1[C@H]1CCCCN1Cc1ccccc1OCc1cccc(F)c1 ZINC000257302035 568712159 /nfs/dbraw/zinc/71/21/59/568712159.db2.gz SBCLYWIXFDAONS-HXUWFJFHSA-N -1 1 443.544 4.259 40 0 IIABMM COC(=O)c1ccc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c1 ZINC000010369740 569224116 /nfs/dbraw/zinc/22/41/16/569224116.db2.gz RGAYBBYRUIKMLU-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000033766299 569246600 /nfs/dbraw/zinc/24/66/00/569246600.db2.gz QSOGVMQWHFACCQ-UHFFFAOYSA-N -1 1 444.553 4.035 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1I ZINC000408548415 555805842 /nfs/dbraw/zinc/80/58/42/555805842.db2.gz RDCMKVADGFEFCB-UHFFFAOYSA-N -1 1 437.686 4.062 40 0 IIABMM CCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408551730 555859938 /nfs/dbraw/zinc/85/99/38/555859938.db2.gz IMCVLZQNJWNRNC-UHFFFAOYSA-N -1 1 431.341 4.089 40 0 IIABMM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000408576712 555927291 /nfs/dbraw/zinc/92/72/91/555927291.db2.gz ZNYQHEMMNCITQW-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N(CC)CC)cc2)cc1 ZINC000408583216 555934221 /nfs/dbraw/zinc/93/42/21/555934221.db2.gz GMPWTEVVRUDHRF-UHFFFAOYSA-N -1 1 447.557 4.318 40 0 IIABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cc1 ZINC000408584912 555935288 /nfs/dbraw/zinc/93/52/88/555935288.db2.gz WMJFKIZNMCBZRQ-UHFFFAOYSA-N -1 1 447.557 4.222 40 0 IIABMM Cc1ccc([C@H](CCC(=O)[O-])N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000408612418 555977806 /nfs/dbraw/zinc/97/78/06/555977806.db2.gz VWKKTAPCNHCZRY-FQEVSTJZSA-N -1 1 445.357 4.121 40 0 IIABMM COc1ccc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])c(C)c1 ZINC000408631461 556002858 /nfs/dbraw/zinc/00/28/58/556002858.db2.gz DZKNOVUFGAFRCX-ZDLGFXPLSA-N -1 1 427.482 4.024 40 0 IIABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc3c(c2)OCCO3)C(=O)[O-])n1 ZINC000408631497 556002875 /nfs/dbraw/zinc/00/28/75/556002875.db2.gz JPJWQSIXEGWLNP-MFOYZWKCSA-N -1 1 445.884 4.123 40 0 IIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(C)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408632144 556005261 /nfs/dbraw/zinc/00/52/61/556005261.db2.gz HQDACUGRQNFTHB-LSCVHKIXSA-N -1 1 427.482 4.024 40 0 IIABMM CCN(CC)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408636501 556019289 /nfs/dbraw/zinc/01/92/89/556019289.db2.gz RFXVRUHGPPRYQY-UHFFFAOYSA-N -1 1 431.341 4.041 40 0 IIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)N1CCCCC1 ZINC000408637246 556020197 /nfs/dbraw/zinc/02/01/97/556020197.db2.gz YOJGEEHVYKMLIW-UHFFFAOYSA-N -1 1 443.352 4.186 40 0 IIABMM Cc1cc(Cl)ccc1NC(=O)CC1SC(NC(=O)c2ccccc2Cl)=NC1=O ZINC000005721977 556063917 /nfs/dbraw/zinc/06/39/17/556063917.db2.gz PMYLZPSZWBJYKF-OAHLLOKOSA-N -1 1 436.320 4.058 40 0 IIABMM COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000408706427 556112803 /nfs/dbraw/zinc/11/28/03/556112803.db2.gz ROCFPYTZAKOGKK-KRWDZBQOSA-N -1 1 440.521 4.210 40 0 IIABMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000009904334 556316024 /nfs/dbraw/zinc/31/60/24/556316024.db2.gz NFGSHFQPMNLHQI-UHFFFAOYSA-N -1 1 428.535 4.227 40 0 IIABMM COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)c4ccccc4[O-])cc3)s2)cc1 ZINC000039768758 556437311 /nfs/dbraw/zinc/43/73/11/556437311.db2.gz DGXBAUDMRHKHFK-UHFFFAOYSA-N -1 1 446.488 4.424 40 0 IIABMM COc1ccccc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000018076476 556683266 /nfs/dbraw/zinc/68/32/66/556683266.db2.gz FTWDZLMCNLPAKF-UHFFFAOYSA-N -1 1 438.549 4.385 40 0 IIABMM CSCC[C@H](NC(=O)c1ccc2[nH]c(C)c(C)c2c1)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019576817 556815149 /nfs/dbraw/zinc/81/51/49/556815149.db2.gz DOCOXGSNJQYVOZ-IBGZPJMESA-N -1 1 447.564 4.154 40 0 IIABMM CSCC[C@H](NC(=O)c1cccc2c(C)c(C)[nH]c21)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019576922 556815242 /nfs/dbraw/zinc/81/52/42/556815242.db2.gz POIXYMKGMNTFTM-SFHVURJKSA-N -1 1 447.564 4.154 40 0 IIABMM CCOc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000020108791 556984227 /nfs/dbraw/zinc/98/42/27/556984227.db2.gz WIKKIEANGVMJRH-UHFFFAOYSA-N -1 1 438.549 4.433 40 0 IIABMM CCOc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000216344874 557143647 /nfs/dbraw/zinc/14/36/47/557143647.db2.gz PBLYAYSXJWFGFD-UHFFFAOYSA-N -1 1 444.940 4.470 40 0 IIABMM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cc1 ZINC000008810697 557173064 /nfs/dbraw/zinc/17/30/64/557173064.db2.gz VJWSNGIHKSUVRY-UHFFFAOYSA-N -1 1 432.448 4.417 40 0 IIABMM CCOc1cc(CNn2cn[n-]c2=S)cc(Br)c1OCc1ccccc1 ZINC000022111777 557179367 /nfs/dbraw/zinc/17/93/67/557179367.db2.gz MBIHPWSSRKWCNL-UHFFFAOYSA-N -1 1 435.347 4.425 40 0 IIABMM CCOC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000010112250 557204884 /nfs/dbraw/zinc/20/48/84/557204884.db2.gz YAEGSIUAKXBYKN-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000010315076 557216564 /nfs/dbraw/zinc/21/65/64/557216564.db2.gz INZHAYXKSFRWIK-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585909 557356081 /nfs/dbraw/zinc/35/60/81/557356081.db2.gz TUQRMDQEGNQCHE-UHFFFAOYSA-N -1 1 432.567 4.266 40 0 IIABMM COC(=O)c1cn(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c2ccccc12 ZINC000222593579 557357811 /nfs/dbraw/zinc/35/78/11/557357811.db2.gz PWUMBJZCQJUUOK-UHFFFAOYSA-N -1 1 448.500 4.226 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccccc3)cc2)cc1 ZINC000014155359 557426734 /nfs/dbraw/zinc/42/67/34/557426734.db2.gz MERVNHGSKCRNKV-UHFFFAOYSA-N -1 1 440.590 4.459 40 0 IIABMM COc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000014155642 557427405 /nfs/dbraw/zinc/42/74/05/557427405.db2.gz GOKVKXPANHXEMU-UHFFFAOYSA-N -1 1 438.549 4.085 40 0 IIABMM COc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000014155896 557427790 /nfs/dbraw/zinc/42/77/90/557427790.db2.gz LVMGSYVEUHQPSN-UHFFFAOYSA-N -1 1 438.549 4.085 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026119142 557450262 /nfs/dbraw/zinc/45/02/62/557450262.db2.gz PTSLKCWXQHKXHH-UHFFFAOYSA-N -1 1 440.537 4.360 40 0 IIABMM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000102735629 557458156 /nfs/dbraw/zinc/45/81/56/557458156.db2.gz PUCZXUVHKHVZFL-TZRRMPRUSA-N -1 1 444.487 4.063 40 0 IIABMM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2N2CCCCC2)cc1 ZINC000223427415 557471057 /nfs/dbraw/zinc/47/10/57/557471057.db2.gz VYKNNWPEYLLIHB-UHFFFAOYSA-N -1 1 432.542 4.052 40 0 IIABMM COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000223922325 557529213 /nfs/dbraw/zinc/52/92/13/557529213.db2.gz UOHIQARAOUPPLT-UHFFFAOYSA-N -1 1 444.896 4.180 40 0 IIABMM CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000223933538 557530831 /nfs/dbraw/zinc/53/08/31/557530831.db2.gz LYCXFZZZPAUQBS-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000223933935 557531116 /nfs/dbraw/zinc/53/11/16/557531116.db2.gz SOUMTTQDAIYNNA-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCCCc2ccc(F)cc2)c1 ZINC000223944025 557532219 /nfs/dbraw/zinc/53/22/19/557532219.db2.gz HPSWNOONVKVLPP-UHFFFAOYSA-N -1 1 426.513 4.298 40 0 IIABMM Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC000223969247 557536441 /nfs/dbraw/zinc/53/64/41/557536441.db2.gz RNGRHDVCISYZCW-QGZVFWFLSA-N -1 1 442.512 4.132 40 0 IIABMM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000223974178 557537205 /nfs/dbraw/zinc/53/72/05/557537205.db2.gz MWDRDXLICIDFKD-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM CN(CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000223979335 557538331 /nfs/dbraw/zinc/53/83/31/557538331.db2.gz WWYMYCLCDYUJOL-UHFFFAOYSA-N -1 1 443.956 4.007 40 0 IIABMM Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224005073 557542677 /nfs/dbraw/zinc/54/26/77/557542677.db2.gz OCLWWEJDJDFJCQ-UHFFFAOYSA-N -1 1 444.896 4.430 40 0 IIABMM CCOc1ccccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224033069 557548322 /nfs/dbraw/zinc/54/83/22/557548322.db2.gz VJBBCKBPLGBURP-UHFFFAOYSA-N -1 1 444.940 4.470 40 0 IIABMM CCOc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000224077110 557556278 /nfs/dbraw/zinc/55/62/78/557556278.db2.gz XAOYWYWTLZPWTC-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cccs3)cc2C)cc1 ZINC000224092075 557559486 /nfs/dbraw/zinc/55/94/86/557559486.db2.gz QINKYVNXVHYPAW-UHFFFAOYSA-N -1 1 430.551 4.138 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccco3)c(Cl)c2)cc1 ZINC000224094308 557559947 /nfs/dbraw/zinc/55/99/47/557559947.db2.gz PPVONQDTMLYOQX-UHFFFAOYSA-N -1 1 434.901 4.015 40 0 IIABMM CCOc1cccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000224096081 557560282 /nfs/dbraw/zinc/56/02/82/557560282.db2.gz NONVTJXFRCRHFK-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C)cc2)c1 ZINC000224558819 557623189 /nfs/dbraw/zinc/62/31/89/557623189.db2.gz HERRHZOTNAHZNX-KRWDZBQOSA-N -1 1 440.521 4.210 40 0 IIABMM Cc1nnc([N-]c2cccc([C@H]3CN(C(=O)CCc4cccc(Cl)c4)CCO3)n2)s1 ZINC000257250711 568688803 /nfs/dbraw/zinc/68/88/03/568688803.db2.gz JNSKUEGDEQACCK-GOSISDBHSA-N -1 1 443.960 4.171 40 0 IIABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCSCc1ccccc1 ZINC000010314401 569222523 /nfs/dbraw/zinc/22/25/23/569222523.db2.gz NWAPCFGTLNRTCG-UHFFFAOYSA-N -1 1 440.590 4.459 40 0 IIABMM COC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010314811 569222545 /nfs/dbraw/zinc/22/25/45/569222545.db2.gz TYSQWBSMSDMGKI-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM Cc1cccc(CSCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000010314936 569222717 /nfs/dbraw/zinc/22/27/17/569222717.db2.gz YKLKXJMRMXOJMO-UHFFFAOYSA-N -1 1 440.590 4.459 40 0 IIABMM Cc1c([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000008834308 569477905 /nfs/dbraw/zinc/47/79/05/569477905.db2.gz JYHMOFALFXSISL-UHFFFAOYSA-N -1 1 446.743 4.245 40 0 IIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)NC1CCCC1 ZINC000408535064 555742622 /nfs/dbraw/zinc/74/26/22/555742622.db2.gz UMHRBWJOEFUCEC-UHFFFAOYSA-N -1 1 443.352 4.232 40 0 IIABMM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)C(=O)NC1CCCCC1 ZINC000408591355 555955308 /nfs/dbraw/zinc/95/53/08/555955308.db2.gz LHPVPEOAJFAIRH-OAHLLOKOSA-N -1 1 436.961 4.357 40 0 IIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OC)c(Cl)c3)C(=O)[O-])n2)c1 ZINC000408633466 556007943 /nfs/dbraw/zinc/00/79/43/556007943.db2.gz NEHXYZPUSRGHQU-REZTVBANSA-N -1 1 447.900 4.369 40 0 IIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)NC1CCCC1 ZINC000408635887 556014287 /nfs/dbraw/zinc/01/42/87/556014287.db2.gz JALXXAQBCFQMOP-UHFFFAOYSA-N -1 1 443.352 4.232 40 0 IIABMM COc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1OC ZINC000010330811 556332112 /nfs/dbraw/zinc/33/21/12/556332112.db2.gz USPLFCQFCJMTTE-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM CCOC(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000013631999 556539504 /nfs/dbraw/zinc/53/95/04/556539504.db2.gz GRDVZBDRZIOASN-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM CCOc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000013674171 556553546 /nfs/dbraw/zinc/55/35/46/556553546.db2.gz HOUUTDNOBALVRX-UHFFFAOYSA-N -1 1 438.549 4.433 40 0 IIABMM O=C(NCCOc1cccc2ccccc21)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000059581505 556802579 /nfs/dbraw/zinc/80/25/79/556802579.db2.gz LMVGNWCXPXTSPV-UHFFFAOYSA-N -1 1 446.528 4.449 40 0 IIABMM CCOc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000216329015 557142990 /nfs/dbraw/zinc/14/29/90/557142990.db2.gz PVAFBNSTVLYVOD-UHFFFAOYSA-N -1 1 438.549 4.433 40 0 IIABMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)cc1OC ZINC000008810867 557173562 /nfs/dbraw/zinc/17/35/62/557173562.db2.gz SBGLYXSYJQPOLI-UHFFFAOYSA-N -1 1 448.447 4.035 40 0 IIABMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)c(OC)c1 ZINC000010314679 557215745 /nfs/dbraw/zinc/21/57/45/557215745.db2.gz HPYKLVQYXNKZKB-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM COC(=O)c1ccc(N[C@H](C)c2ccccc2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223418551 557469720 /nfs/dbraw/zinc/46/97/20/557469720.db2.gz QNQFRAAAUSRUKA-MRXNPFEDSA-N -1 1 440.521 4.456 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NCc2ccncc2)cc1 ZINC000223422573 557470503 /nfs/dbraw/zinc/47/05/03/557470503.db2.gz AXFYHASWUMMRBO-UHFFFAOYSA-N -1 1 439.537 4.368 40 0 IIABMM CCOCCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000223423324 557470535 /nfs/dbraw/zinc/47/05/35/557470535.db2.gz XRCYRIQCWTVBNE-UHFFFAOYSA-N -1 1 434.558 4.200 40 0 IIABMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c1 ZINC000223756851 557509702 /nfs/dbraw/zinc/50/97/02/557509702.db2.gz BYMBHBPRGOUFOM-UHFFFAOYSA-N -1 1 434.514 4.044 40 0 IIABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(OCCc3ccccc3)c2)c1 ZINC000223839720 557519387 /nfs/dbraw/zinc/51/93/87/557519387.db2.gz RMPKEYKEYUMGAL-UHFFFAOYSA-N -1 1 425.506 4.204 40 0 IIABMM COc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c(OC)cc1Cl ZINC000223926164 557529702 /nfs/dbraw/zinc/52/97/02/557529702.db2.gz PLUCWZHMCNBEFE-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)cc1 ZINC000223929759 557530298 /nfs/dbraw/zinc/53/02/98/557530298.db2.gz OBHWLBWZYFTJBE-UHFFFAOYSA-N -1 1 428.941 4.422 40 0 IIABMM CCOC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000223933686 557530856 /nfs/dbraw/zinc/53/08/56/557530856.db2.gz CVBDXXONRDHZCS-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOCc3ccccc3)ccc2C)c1 ZINC000223942510 557531806 /nfs/dbraw/zinc/53/18/06/557531806.db2.gz FUSNNTLQTKFBIT-UHFFFAOYSA-N -1 1 438.549 4.051 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H](C)COc2ccccc2C)c1 ZINC000223944601 557532243 /nfs/dbraw/zinc/53/22/43/557532243.db2.gz NYHADRQORAFWLR-LJQANCHMSA-N -1 1 438.549 4.302 40 0 IIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3)ccc2C)c1 ZINC000223951892 557533315 /nfs/dbraw/zinc/53/33/15/557533315.db2.gz STUIDXRHJDVRNQ-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)COc3ccccc3C)c2)c1 ZINC000223952112 557533597 /nfs/dbraw/zinc/53/35/97/557533597.db2.gz JUPDUHMBAJCRCL-IBGZPJMESA-N -1 1 438.549 4.302 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)COc3ccc(C)cc3)c2)cc1 ZINC000223958806 557534679 /nfs/dbraw/zinc/53/46/79/557534679.db2.gz YUFHOJKTRQTVCT-LJQANCHMSA-N -1 1 438.549 4.302 40 0 IIABMM O=C(NCCSC1CCCCC1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000223965984 557535547 /nfs/dbraw/zinc/53/55/47/557535547.db2.gz RBSLUWFKZPXMMA-UHFFFAOYSA-N -1 1 436.574 4.422 40 0 IIABMM Cc1ccc(OC[C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000223971635 557536991 /nfs/dbraw/zinc/53/69/91/557536991.db2.gz HGTJTPUALAWVNN-LJQANCHMSA-N -1 1 438.549 4.302 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3Cl)cc2)cc1OC ZINC000223989142 557540189 /nfs/dbraw/zinc/54/01/89/557540189.db2.gz AMEWMPYWPKBBNX-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C)c3)cc2)cc1OC ZINC000223988490 557540269 /nfs/dbraw/zinc/54/02/69/557540269.db2.gz DAZFHRQCVLDDGU-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSC(C)(C)C)cc2)cc1 ZINC000223995556 557541376 /nfs/dbraw/zinc/54/13/76/557541376.db2.gz QLBFXEHRHHHLEY-UHFFFAOYSA-N -1 1 438.640 4.471 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(C)c3)c(Cl)c2)cc1 ZINC000224024594 557546883 /nfs/dbraw/zinc/54/68/83/557546883.db2.gz CBRVPEOJZICNDW-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cccc(OC)c3)c2)cc1 ZINC000224070402 557554993 /nfs/dbraw/zinc/55/49/93/557554993.db2.gz LEFQOTIDMGEEMQ-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3OC)c2)cc1 ZINC000224070548 557555002 /nfs/dbraw/zinc/55/50/02/557555002.db2.gz HDBDJASZWSNIJL-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM CCOc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000224083032 557558076 /nfs/dbraw/zinc/55/80/76/557558076.db2.gz HSLCMRAASFLBLP-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224082930 557558117 /nfs/dbraw/zinc/55/81/17/557558117.db2.gz VPLJZTQGJNWJMG-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCOc3cccc(C)c3)ccc2C)cc1 ZINC000224084928 557558324 /nfs/dbraw/zinc/55/83/24/557558324.db2.gz KJKVEICNRNYIFF-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1ccc(OCCNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1C ZINC000224084022 557558401 /nfs/dbraw/zinc/55/84/01/557558401.db2.gz VBMLESOGBYKOOX-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM CCc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000224089610 557559294 /nfs/dbraw/zinc/55/92/94/557559294.db2.gz SGWNLORAKIRSOZ-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM COc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000224092465 557559806 /nfs/dbraw/zinc/55/98/06/557559806.db2.gz BTBNRUDHBXPESA-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM CCOc1ccccc1CN(C)C(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000224099884 557560661 /nfs/dbraw/zinc/56/06/61/557560661.db2.gz XASSIDFFNVZSHX-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)c1 ZINC000224543218 557619214 /nfs/dbraw/zinc/61/92/14/557619214.db2.gz GCPQOQHUMQYTIJ-UHFFFAOYSA-N -1 1 430.913 4.331 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3)cc2)c1 ZINC000224544085 557619530 /nfs/dbraw/zinc/61/95/30/557619530.db2.gz VRUNUFLLFVPUHD-QGZVFWFLSA-N -1 1 440.521 4.210 40 0 IIABMM COc1ccc(C(=O)N2CCc3ccc([N-]S(=O)(=O)c4cc(C)ccc4C)cc32)cc1 ZINC000225927129 557793223 /nfs/dbraw/zinc/79/32/23/557793223.db2.gz XXMBSOVECPELNN-UHFFFAOYSA-N -1 1 436.533 4.316 40 0 IIABMM COc1ccc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000010314666 569222577 /nfs/dbraw/zinc/22/25/77/569222577.db2.gz GDONGRIYIMAVGZ-UHFFFAOYSA-N -1 1 438.549 4.085 40 0 IIABMM COc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1OC ZINC000010357064 569223666 /nfs/dbraw/zinc/22/36/66/569223666.db2.gz LZNTXMBKGXHEPR-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c(OC)c1 ZINC000010366003 569224037 /nfs/dbraw/zinc/22/40/37/569224037.db2.gz KBSZHPUIYMWUPE-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000018043939 569284290 /nfs/dbraw/zinc/28/42/90/569284290.db2.gz NCHDXFHHGQEGQN-HJOGWXRNSA-N -1 1 444.487 4.063 40 0 IIABMM CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408535790 555765362 /nfs/dbraw/zinc/76/53/62/555765362.db2.gz WLECFCNGQBNLPX-LBPRGKRZSA-N -1 1 431.341 4.088 40 0 IIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Cl)ccc3OC)C(=O)[O-])n2)c1 ZINC000408633130 556007624 /nfs/dbraw/zinc/00/76/24/556007624.db2.gz LSABCERHSAWWQM-MFOYZWKCSA-N -1 1 447.900 4.369 40 0 IIABMM COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000408681783 556081595 /nfs/dbraw/zinc/08/15/95/556081595.db2.gz ZEOVKJFUFMZDDS-KRWDZBQOSA-N -1 1 440.521 4.210 40 0 IIABMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)c(Br)cc3C)ccc21 ZINC000408682597 556082637 /nfs/dbraw/zinc/08/26/37/556082637.db2.gz JSENFCJSOJUAQC-UHFFFAOYSA-N -1 1 443.750 4.121 40 0 IIABMM CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c1)C2=O ZINC000408722667 556148392 /nfs/dbraw/zinc/14/83/92/556148392.db2.gz VRFFXWMNXRRBFX-PGRDOPGGSA-N -1 1 446.956 4.457 40 0 IIABMM CCOc1ccccc1CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000030758661 556505459 /nfs/dbraw/zinc/50/54/59/556505459.db2.gz JOTQCPUZJRKRKM-UHFFFAOYSA-N -1 1 438.549 4.433 40 0 IIABMM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000030859898 556510751 /nfs/dbraw/zinc/51/07/51/556510751.db2.gz UWZKBVJQIGMBBZ-UHFFFAOYSA-N -1 1 430.913 4.331 40 0 IIABMM CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000013669715 556550774 /nfs/dbraw/zinc/55/07/74/556550774.db2.gz XNFREUVARJWPMA-UHFFFAOYSA-N -1 1 438.549 4.433 40 0 IIABMM Cc1ccc(OCCCC(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)c(C)c1 ZINC000019132768 556704703 /nfs/dbraw/zinc/70/47/03/556704703.db2.gz ZEWMBALCFSOHCQ-LJQANCHMSA-N -1 1 432.524 4.036 40 0 IIABMM O=C([O-])c1ccccc1[C@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000013769533 556730177 /nfs/dbraw/zinc/73/01/77/556730177.db2.gz KUSNJMJTTHZZMZ-QHAWAJNXSA-N -1 1 448.862 4.089 40 0 IIABMM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000058058872 556755908 /nfs/dbraw/zinc/75/59/08/556755908.db2.gz DNWSYLZVYUHWBV-UHFFFAOYSA-N -1 1 430.913 4.467 40 0 IIABMM CSCC[C@@H](NC(=O)c1ccc2[nH]c(C)c(C)c2c1)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019576815 556815219 /nfs/dbraw/zinc/81/52/19/556815219.db2.gz DOCOXGSNJQYVOZ-LJQANCHMSA-N -1 1 447.564 4.154 40 0 IIABMM CCc1nnc([N-]c2cccc([C@@H]3CCCN(CC(=O)Nc4ccccc4F)C3)n2)s1 ZINC000072375961 556953659 /nfs/dbraw/zinc/95/36/59/556953659.db2.gz BZWNFIUACXDBQE-OAHLLOKOSA-N -1 1 440.548 4.196 40 0 IIABMM COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c1 ZINC000020106371 556982767 /nfs/dbraw/zinc/98/27/67/556982767.db2.gz KAPQJDKHVVIVQW-QGZVFWFLSA-N -1 1 440.521 4.210 40 0 IIABMM CCOc1c(Br)cc(Br)cc1CNn1c(CC)n[n-]c1=S ZINC000022110529 557178740 /nfs/dbraw/zinc/17/87/40/557178740.db2.gz VBHDHAUYPPAAGN-UHFFFAOYSA-N -1 1 436.173 4.170 40 0 IIABMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1OC ZINC000010313819 557215419 /nfs/dbraw/zinc/21/54/19/557215419.db2.gz CXQQKOQEEQOGGQ-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)cc1 ZINC000026117725 557449001 /nfs/dbraw/zinc/44/90/01/557449001.db2.gz NAMPSBMLZYXCFW-UHFFFAOYSA-N -1 1 448.610 4.024 40 0 IIABMM Cc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000223346307 557460781 /nfs/dbraw/zinc/46/07/81/557460781.db2.gz GCMXENLWZFKYAY-UHFFFAOYSA-N -1 1 448.595 4.400 40 0 IIABMM CCOc1ccc(C(=O)N2c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3C[C@H]2C)cc1 ZINC000223378378 557464998 /nfs/dbraw/zinc/46/49/98/557464998.db2.gz FBRXOVMUYWXKGT-QGZVFWFLSA-N -1 1 436.533 4.478 40 0 IIABMM Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000223755439 557509442 /nfs/dbraw/zinc/50/94/42/557509442.db2.gz ZRYCUPYNGUUERM-UHFFFAOYSA-N -1 1 436.942 4.250 40 0 IIABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)ccc1Cl ZINC000223830717 557518195 /nfs/dbraw/zinc/51/81/95/557518195.db2.gz HVBHDWFZPUSQTC-UHFFFAOYSA-N -1 1 439.114 4.343 40 0 IIABMM Cc1cccc(CSCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000223919286 557529002 /nfs/dbraw/zinc/52/90/02/557529002.db2.gz PKGGBWJEBGQEII-UHFFFAOYSA-N -1 1 440.590 4.459 40 0 IIABMM COc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000223951857 557533233 /nfs/dbraw/zinc/53/32/33/557533233.db2.gz IRTBSDLJGMKFRW-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1 ZINC000224004412 557542671 /nfs/dbraw/zinc/54/26/71/557542671.db2.gz ZCQPBGQJWIFADO-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000224025354 557546886 /nfs/dbraw/zinc/54/68/86/557546886.db2.gz NMAPKHUFUPJGMO-QHCPKHFHSA-N -1 1 436.533 4.303 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCc3ccc(C)cc3)c2)cc1 ZINC000224042278 557550058 /nfs/dbraw/zinc/55/00/58/557550058.db2.gz DNAJNVXXEPPAAK-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3CCCc4ccccc43)c2)cc1 ZINC000224043089 557550353 /nfs/dbraw/zinc/55/03/53/557550353.db2.gz OHOFCNQIWHNSNE-HSZRJFAPSA-N -1 1 436.533 4.303 40 0 IIABMM Cc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224046118 557551180 /nfs/dbraw/zinc/55/11/80/557551180.db2.gz GZNLHIPDJLODDT-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCCc3ccco3)c2)cc1 ZINC000224072877 557555514 /nfs/dbraw/zinc/55/55/14/557555514.db2.gz CFGHHJQPNXOIQH-UHFFFAOYSA-N -1 1 448.928 4.105 40 0 IIABMM Cc1ccccc1OCCNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224398724 557601651 /nfs/dbraw/zinc/60/16/51/557601651.db2.gz DRACXBGDVBLNAJ-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM O=C(NCCOCc1ccccc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224398975 557601790 /nfs/dbraw/zinc/60/17/90/557601790.db2.gz KXSWTPBPDOGCRW-UHFFFAOYSA-N -1 1 444.940 4.087 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)c1 ZINC000224534708 557617827 /nfs/dbraw/zinc/61/78/27/557617827.db2.gz RBJVKPBJZXMVFR-UHFFFAOYSA-N -1 1 428.535 4.227 40 0 IIABMM CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2)cc1 ZINC000224552463 557621588 /nfs/dbraw/zinc/62/15/88/557621588.db2.gz XLMIYBXWZMDPAS-UHFFFAOYSA-N -1 1 440.521 4.076 40 0 IIABMM Cc1nnc([N-]c2cccc([C@H]3CN(C(=O)CCCc4ccc(F)cc4)CCO3)n2)s1 ZINC000257201016 568665320 /nfs/dbraw/zinc/66/53/20/568665320.db2.gz AFUVSBFXTIVIRB-LJQANCHMSA-N -1 1 441.532 4.047 40 0 IIABMM CCOc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)c1 ZINC000020458848 521356629 /nfs/dbraw/zinc/35/66/29/521356629.db2.gz ZVKMCPXIAVLZDW-UHFFFAOYSA-N -1 1 438.549 4.433 40 0 IIABMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C)c1COc1ccc(OC)cc1 ZINC000014944468 521419230 /nfs/dbraw/zinc/41/92/30/521419230.db2.gz VSMRNGQYLHHCOR-UHFFFAOYSA-N -1 1 434.286 4.411 40 0 IIABMM COc1ccccc1CN(C)C(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020452429 524432783 /nfs/dbraw/zinc/43/27/83/524432783.db2.gz DOFRMCQNHPFFRL-UHFFFAOYSA-N -1 1 438.549 4.385 40 0 IIABMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1 ZINC000022534745 526980810 /nfs/dbraw/zinc/98/08/10/526980810.db2.gz NDIAWZBEXJZTGT-UHFFFAOYSA-N -1 1 429.723 4.030 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1NC(=O)c1ccccc1 ZINC000408558423 555897503 /nfs/dbraw/zinc/89/75/03/555897503.db2.gz RRYIVZKLQXVJSP-UHFFFAOYSA-N -1 1 428.535 4.470 40 0 IIABMM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)cc1 ZINC000408588422 555938264 /nfs/dbraw/zinc/93/82/64/555938264.db2.gz GCYMQZRAHGQYGG-UHFFFAOYSA-N -1 1 430.913 4.467 40 0 IIABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cccc(OC)c2OC)C(=O)[O-])n1 ZINC000408633402 556007919 /nfs/dbraw/zinc/00/79/19/556007919.db2.gz YCNMXCKGULCRLD-SXGWCWSVSA-N -1 1 447.900 4.369 40 0 IIABMM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408635474 556013183 /nfs/dbraw/zinc/01/31/83/556013183.db2.gz BVWVFGQQTNYVPV-UHFFFAOYSA-N -1 1 445.368 4.479 40 0 IIABMM O=C(NCCOc1ccc2ccccc2c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000030447052 556494650 /nfs/dbraw/zinc/49/46/50/556494650.db2.gz BKQVFSPPJROBBD-UHFFFAOYSA-N -1 1 446.528 4.449 40 0 IIABMM COC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000015922675 556564555 /nfs/dbraw/zinc/56/45/55/556564555.db2.gz QAXOYKPLJMEUJO-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM COC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000015922647 556564579 /nfs/dbraw/zinc/56/45/79/556564579.db2.gz CUANYWRNXDAFIS-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM CCOC(=O)C1=C(C)NC(SCc2cccc(C(=O)[O-])c2)=N[C@H]1c1cccc(OC)c1 ZINC000408876856 556876854 /nfs/dbraw/zinc/87/68/54/556876854.db2.gz RHYZDMQLGHSEKT-FQEVSTJZSA-N -1 1 440.521 4.164 40 0 IIABMM C=C1N=C(SCc2cccc(C(=O)[O-])c2)N[C@@H](c2cccc(OC)c2)C1C(=O)OCC ZINC000408876856 556876856 /nfs/dbraw/zinc/87/68/56/556876856.db2.gz RHYZDMQLGHSEKT-FQEVSTJZSA-N -1 1 440.521 4.164 40 0 IIABMM COc1ccc(OC)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000020047415 556973806 /nfs/dbraw/zinc/97/38/06/556973806.db2.gz IZBPQFILCVBBQU-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c1 ZINC000020106369 556982738 /nfs/dbraw/zinc/98/27/38/556982738.db2.gz KAPQJDKHVVIVQW-KRWDZBQOSA-N -1 1 440.521 4.210 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3nnc(-c4ccccc4)o3)c2)cc1 ZINC000020570733 557124395 /nfs/dbraw/zinc/12/43/95/557124395.db2.gz JMFGSYONFAYBNM-UHFFFAOYSA-N -1 1 434.477 4.098 40 0 IIABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1OC ZINC000009903440 557193487 /nfs/dbraw/zinc/19/34/87/557193487.db2.gz BZOQGPJUYIORDM-OQLLNIDSSA-N -1 1 438.505 4.157 40 0 IIABMM CCOC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000010112265 557204650 /nfs/dbraw/zinc/20/46/50/557204650.db2.gz JZBNGIHBIQWWPB-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM COc1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1OC ZINC000010314221 557215227 /nfs/dbraw/zinc/21/52/27/557215227.db2.gz ZYIHSONTTRNNAT-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM Cn1c(=O)c(C(=O)C[C@H](NCc2ccncc2)c2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000104827527 557328715 /nfs/dbraw/zinc/32/87/15/557328715.db2.gz CEBRAOURJRYCFQ-FQEVSTJZSA-N -1 1 447.922 4.396 40 0 IIABMM COC(=O)c1cn(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c2ccccc12 ZINC000222602302 557359712 /nfs/dbraw/zinc/35/97/12/557359712.db2.gz XRMJJCLULMCASK-UHFFFAOYSA-N -1 1 448.500 4.226 40 0 IIABMM CCSc1nnc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)s1 ZINC000223416637 557469449 /nfs/dbraw/zinc/46/94/49/557469449.db2.gz IVPGWXHRNIAQGC-UHFFFAOYSA-N -1 1 448.595 4.320 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NCc2cccnc2)cc1 ZINC000223422500 557470553 /nfs/dbraw/zinc/47/05/53/557470553.db2.gz OMDDQPVZTHWOJV-UHFFFAOYSA-N -1 1 439.537 4.368 40 0 IIABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3)ccc2C)c1 ZINC000223949717 557533030 /nfs/dbraw/zinc/53/30/30/557533030.db2.gz PHSFCHHHJPOFOO-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)COc3ccccc3C)c2)c1 ZINC000223952176 557533616 /nfs/dbraw/zinc/53/36/16/557533616.db2.gz JUPDUHMBAJCRCL-LJQANCHMSA-N -1 1 438.549 4.302 40 0 IIABMM COc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224004324 557542698 /nfs/dbraw/zinc/54/26/98/557542698.db2.gz PXPSBAHJKNGNCI-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM COc1ccccc1CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224034195 557548876 /nfs/dbraw/zinc/54/88/76/557548876.db2.gz CUYSKNJEOARRFB-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM C[C@H](COc1ccccc1)NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224063538 557553897 /nfs/dbraw/zinc/55/38/97/557553897.db2.gz LAQDAQDTEWNOCF-MRXNPFEDSA-N -1 1 444.940 4.338 40 0 IIABMM CCOc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000224077042 557556320 /nfs/dbraw/zinc/55/63/20/557556320.db2.gz YHXXOPIAXVOZBO-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(F)cc3)cc2)c1 ZINC000224572355 557625569 /nfs/dbraw/zinc/62/55/69/557625569.db2.gz ASLLHFHFMLYLSE-UHFFFAOYSA-N -1 1 428.485 4.261 40 0 IIABMM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1OC ZINC000225045200 557682333 /nfs/dbraw/zinc/68/23/33/557682333.db2.gz HEJQNGTUAGPMEZ-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM CCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000225655894 557757445 /nfs/dbraw/zinc/75/74/45/557757445.db2.gz FNRIBVHXIYFQBN-UHFFFAOYSA-N -1 1 434.568 4.012 40 0 IIABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)ccc2n1Cc1ccccc1 ZINC000225744173 557772035 /nfs/dbraw/zinc/77/20/35/557772035.db2.gz QIAIHOVNACDCQN-UHFFFAOYSA-N -1 1 432.473 4.190 40 0 IIABMM CCc1nnc([N-]c2cccc([C@@H]3CN(Cc4cn(C)c5ccccc45)CCO3)n2)s1 ZINC000257323186 568721318 /nfs/dbraw/zinc/72/13/18/568721318.db2.gz WJBOVKWIDTXKDW-FQEVSTJZSA-N -1 1 434.569 4.304 40 0 IIABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCSc1ccccc1 ZINC000010371590 569224273 /nfs/dbraw/zinc/22/42/73/569224273.db2.gz KTBQDIQJUBFAAM-UHFFFAOYSA-N -1 1 426.563 4.318 40 0 IIABMM CC1=C[C@@H](CNC(=O)CC(C)(C)CC(=O)[O-])[C@H](C(C)C)C[C@H]1Cc1nc2ccncc2[nH]1 ZINC000072320920 291380319 /nfs/dbraw/zinc/38/03/19/291380319.db2.gz VNQHUWURFAZTGR-FHWLQOOXSA-N -1 1 440.588 4.362 40 0 biogenic,in-vitro IIABMM CC1=C[C@@H](CNC(=O)CC(C)(C)CC(=O)[O-])[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 ZINC000072320920 291380320 /nfs/dbraw/zinc/38/03/20/291380320.db2.gz VNQHUWURFAZTGR-FHWLQOOXSA-N -1 1 440.588 4.362 40 0 biogenic,in-vitro IIABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)cc1 ZINC000408585008 555935214 /nfs/dbraw/zinc/93/52/14/555935214.db2.gz XNTPEBONWGEAJR-UHFFFAOYSA-N -1 1 446.569 4.139 40 0 IIABMM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)c1ccccc1 ZINC000408589982 555947127 /nfs/dbraw/zinc/94/71/27/555947127.db2.gz INVQTKFDGTVJPX-INIZCTEOSA-N -1 1 444.940 4.397 40 0 IIABMM CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408590440 555947703 /nfs/dbraw/zinc/94/77/03/555947703.db2.gz GVFURIRGIXRLCD-KRWDZBQOSA-N -1 1 426.538 4.180 40 0 IIABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(O)c(OC)c2)C(=O)[O-])n1 ZINC000408632497 556006663 /nfs/dbraw/zinc/00/66/63/556006663.db2.gz QNTZSNVQYRYLRR-PXNMLYILSA-N -1 1 433.873 4.066 40 0 IIABMM CC(C)CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000035352096 556081009 /nfs/dbraw/zinc/08/10/09/556081009.db2.gz XZISEUJINBPWBU-UHFFFAOYSA-N -1 1 445.368 4.335 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1C(=O)N1CCCCCC1 ZINC000408693493 556099280 /nfs/dbraw/zinc/09/92/80/556099280.db2.gz XJTVHGAQSFJHRF-UHFFFAOYSA-N -1 1 436.961 4.474 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1C(=O)N1CCC(C)CC1 ZINC000408702122 556105444 /nfs/dbraw/zinc/10/54/44/556105444.db2.gz CQHDQVOIJAMCIY-UHFFFAOYSA-N -1 1 430.570 4.492 40 0 IIABMM COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000015438658 556527957 /nfs/dbraw/zinc/52/79/57/556527957.db2.gz BTZJKCYLOBHSRO-UHFFFAOYSA-N -1 1 446.912 4.167 40 0 IIABMM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1OC ZINC000015589375 556536552 /nfs/dbraw/zinc/53/65/52/556536552.db2.gz QVMFQAXGSXQAMF-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM Cc1cc(C)nc(SCc2cc(=O)[n-]c(Nc3nc(C)c4cc(C)c(C)cc4n3)n2)n1 ZINC000019817391 556920190 /nfs/dbraw/zinc/92/01/90/556920190.db2.gz OAFVROIBYRUGNS-UHFFFAOYSA-N -1 1 433.541 4.081 40 0 IIABMM Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000020045654 556973166 /nfs/dbraw/zinc/97/31/66/556973166.db2.gz VIDDZUCYSJRGRC-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c(Cl)c3)C2=O)c1 ZINC000409156357 556979887 /nfs/dbraw/zinc/97/98/87/556979887.db2.gz FJZUEWMAJSGPRV-LZYBPNLTSA-N -1 1 434.926 4.443 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCSCc2ccco2)ccc1C ZINC000409406197 557106695 /nfs/dbraw/zinc/10/66/95/557106695.db2.gz AQPVJGUOGYTXFI-UHFFFAOYSA-N -1 1 444.578 4.360 40 0 IIABMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cc1OC ZINC000008810702 557173089 /nfs/dbraw/zinc/17/30/89/557173089.db2.gz YDHKOPKDWARSRI-UHFFFAOYSA-N -1 1 448.447 4.035 40 0 IIABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)ccc1OCc1cccs1 ZINC000022111332 557179199 /nfs/dbraw/zinc/17/91/99/557179199.db2.gz VINIWFNULQHHKC-UHFFFAOYSA-N -1 1 425.539 4.395 40 0 IIABMM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1ccc2c(c1)OCCO2 ZINC000009064600 557180409 /nfs/dbraw/zinc/18/04/09/557180409.db2.gz FOORMZFEZMHLIJ-UHFFFAOYSA-N -1 1 447.472 4.098 40 0 IIABMM CCC(=O)N1CCc2nc3cc([C@H]4CCCC[N@H+]4Cc4ccc(C)c(C)c4)[n-]n3c(=O)c2C1 ZINC000100243241 557255786 /nfs/dbraw/zinc/25/57/86/557255786.db2.gz FOPLRSJUEQXIOJ-HSZRJFAPSA-N -1 1 447.583 4.074 40 0 IIABMM COC(=O)c1cn(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c2ccccc12 ZINC000222601741 557359810 /nfs/dbraw/zinc/35/98/10/557359810.db2.gz JFYJGICBMNNMEV-UHFFFAOYSA-N -1 1 448.500 4.226 40 0 IIABMM CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1C ZINC000223923499 557529560 /nfs/dbraw/zinc/52/95/60/557529560.db2.gz CMHVVMOCEYAAMO-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM Cc1cccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c1C ZINC000223928893 557529993 /nfs/dbraw/zinc/52/99/93/557529993.db2.gz BJTQCHLUZYFDHY-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1cccc(OCCNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1C ZINC000223928648 557530059 /nfs/dbraw/zinc/53/00/59/557530059.db2.gz UNBVRSXCWKHIOW-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)c1C ZINC000223938965 557531308 /nfs/dbraw/zinc/53/13/08/557531308.db2.gz AQOLRMAHYIJCOF-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3cccc(C)c3)ccc2C)cc1 ZINC000223943942 557532248 /nfs/dbraw/zinc/53/22/48/557532248.db2.gz ZAIGHKAWPYXSHI-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM COc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000223951779 557533245 /nfs/dbraw/zinc/53/32/45/557533245.db2.gz UHEXDTOLRNNDOJ-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3Cl)c2)c1 ZINC000223953238 557533482 /nfs/dbraw/zinc/53/34/82/557533482.db2.gz UZCKCPRYKXYURA-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM COC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000223976883 557537733 /nfs/dbraw/zinc/53/77/33/557537733.db2.gz DHQRCFWCHYFTRD-UHFFFAOYSA-N -1 1 444.896 4.180 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)ccc3OC)cc2)cc1 ZINC000223982424 557538903 /nfs/dbraw/zinc/53/89/03/557538903.db2.gz HFEBQGYRFALCOG-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3Cl)cc2)cc1 ZINC000223983687 557539216 /nfs/dbraw/zinc/53/92/16/557539216.db2.gz QRFUFHCJSZZXJJ-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)cc1OC ZINC000223988914 557540235 /nfs/dbraw/zinc/54/02/35/557540235.db2.gz NUSQPOUHSYVACA-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1OC ZINC000223988575 557540242 /nfs/dbraw/zinc/54/02/42/557540242.db2.gz ZOKNGQYNOXKYQQ-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)cc3F)cc2C)cc1 ZINC000224013256 557544050 /nfs/dbraw/zinc/54/40/50/557544050.db2.gz SMCLQIOBNVABGV-UHFFFAOYSA-N -1 1 432.448 4.335 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3Cl)cc2C)cc1 ZINC000224013749 557544416 /nfs/dbraw/zinc/54/44/16/557544416.db2.gz GZFGUKZMRPWCPJ-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCc4ccccc43)cc2C)cc1 ZINC000224014865 557544615 /nfs/dbraw/zinc/54/46/15/557544615.db2.gz MIALNJUMQDRZBI-UHFFFAOYSA-N -1 1 436.533 4.397 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3OC)c(Cl)c2)cc1 ZINC000224022726 557546644 /nfs/dbraw/zinc/54/66/44/557546644.db2.gz IYQIRFDNLXWFNI-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM COc1ccccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224029741 557547697 /nfs/dbraw/zinc/54/76/97/557547697.db2.gz KROKCXJTUDYXJX-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM CC(C)(C)SCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224031016 557547898 /nfs/dbraw/zinc/54/78/98/557547898.db2.gz WBGRXXYXWPSWAP-UHFFFAOYSA-N -1 1 426.991 4.402 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)Cc3ccccc3)c2)cc1 ZINC000224069318 557554928 /nfs/dbraw/zinc/55/49/28/557554928.db2.gz JQXBZHLVQSIVOF-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3F)c(Cl)c2)cc1 ZINC000224094162 557560095 /nfs/dbraw/zinc/56/00/95/557560095.db2.gz CYDOWSYVELCRSO-UHFFFAOYSA-N -1 1 448.903 4.219 40 0 IIABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3F)cc2)c(C)c1 ZINC000224549296 557620968 /nfs/dbraw/zinc/62/09/68/557620968.db2.gz LXDMLBIFFAXOBO-UHFFFAOYSA-N -1 1 448.541 4.185 40 0 IIABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)ccc21 ZINC000225084426 557686364 /nfs/dbraw/zinc/68/63/64/557686364.db2.gz BOAVOOCUFHSEAR-UHFFFAOYSA-N -1 1 447.516 4.269 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3nnc(SC(C)C)s3)c2)cc1 ZINC000225259230 557706155 /nfs/dbraw/zinc/70/61/55/557706155.db2.gz VTPTXIVNIPAQDC-UHFFFAOYSA-N -1 1 448.595 4.400 40 0 IIABMM CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)c1 ZINC000225745233 557772038 /nfs/dbraw/zinc/77/20/38/557772038.db2.gz ZYSIZKUNTPMFSW-UHFFFAOYSA-N -1 1 440.546 4.311 40 0 IIABMM CCOC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010334219 569223385 /nfs/dbraw/zinc/22/33/85/569223385.db2.gz BYNQQMGJOYLBCG-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM COc1ccc(OC)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000010336544 569223461 /nfs/dbraw/zinc/22/34/61/569223461.db2.gz UJYFMTVADJKHJN-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2C)cc1 ZINC000013678174 132353082 /nfs/dbraw/zinc/35/30/82/132353082.db2.gz DZOAGMPGEPJWGG-UHFFFAOYSA-N -1 1 449.576 4.067 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2)cc1 ZINC000020459134 525601609 /nfs/dbraw/zinc/60/16/09/525601609.db2.gz MGOKOKSCPDHONZ-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408555472 555888198 /nfs/dbraw/zinc/88/81/98/555888198.db2.gz XEPMIASCEZZXMQ-CYBMUJFWSA-N -1 1 445.368 4.478 40 0 IIABMM CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000408600661 555968721 /nfs/dbraw/zinc/96/87/21/555968721.db2.gz BUGQBRFEFIRCBA-CQSZACIVSA-N -1 1 444.475 4.046 40 0 IIABMM CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408637251 556020219 /nfs/dbraw/zinc/02/02/19/556020219.db2.gz YSLQYOSIHKKMNB-GFCCVEGCSA-N -1 1 431.341 4.088 40 0 IIABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCSCc1ccco1 ZINC000010112826 556326252 /nfs/dbraw/zinc/32/62/52/556326252.db2.gz QXEFDGKBANACSB-UHFFFAOYSA-N -1 1 430.551 4.052 40 0 IIABMM COc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c(OC)c1 ZINC000038752759 556616265 /nfs/dbraw/zinc/61/62/65/556616265.db2.gz KHQXXCMEHCOOIE-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM Nc1nc(N2CCc3ccccc3C2)[n-]c(=O)c1C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000040385588 556635803 /nfs/dbraw/zinc/63/58/03/556635803.db2.gz JBJOBCHVOQFRJW-UHFFFAOYSA-N -1 1 446.363 4.009 40 0 IIABMM COc1ccccc1CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000044845049 556669103 /nfs/dbraw/zinc/66/91/03/556669103.db2.gz JKPWDVRLRISSSW-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000095483640 556757392 /nfs/dbraw/zinc/75/73/92/556757392.db2.gz NCHDXFHHGQEGQN-SGNDLWITSA-N -1 1 444.487 4.063 40 0 IIABMM CSCC[C@H](NC(=O)c1ccc2c(C)c(C)[nH]c2c1)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019576885 556815125 /nfs/dbraw/zinc/81/51/25/556815125.db2.gz VFDYFIYQHMUUSJ-SFHVURJKSA-N -1 1 447.564 4.154 40 0 IIABMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000408917903 556889196 /nfs/dbraw/zinc/88/91/96/556889196.db2.gz CNZMGPAFCSSJNW-MHWRWJLKSA-N -1 1 448.294 4.391 40 0 IIABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 ZINC000408921092 556890956 /nfs/dbraw/zinc/89/09/56/556890956.db2.gz CXPHAXGNDKTEDY-UHFFFAOYSA-N -1 1 430.913 4.467 40 0 IIABMM O=c1[n-]c(-c2ccccn2)nc2c1CCN(Cc1ccc(OCc3ccccc3F)cc1)C2 ZINC000072336816 556909336 /nfs/dbraw/zinc/90/93/36/556909336.db2.gz MZFPUOGPALPALM-UHFFFAOYSA-N -1 1 442.494 4.108 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccco3)cc2)cc1 ZINC000409410517 557103587 /nfs/dbraw/zinc/10/35/87/557103587.db2.gz NPALQFKVJVCUGR-UHFFFAOYSA-N -1 1 430.551 4.052 40 0 IIABMM CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000023912537 557125975 /nfs/dbraw/zinc/12/59/75/557125975.db2.gz JEPPNUJTONMXBV-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)c1 ZINC000102735963 557131847 /nfs/dbraw/zinc/13/18/47/557131847.db2.gz YCFGGOFKEXXIIW-TZRRMPRUSA-N -1 1 428.488 4.363 40 0 IIABMM COc1cccc2c(C)nc(Nc3nc(CSc4nc5ccccc5o4)cc(=O)[n-]3)nc12 ZINC000009938963 557194442 /nfs/dbraw/zinc/19/44/42/557194442.db2.gz HFKZDSKKHZLZFN-UHFFFAOYSA-N -1 1 446.492 4.207 40 0 IIABMM CC(=O)Nc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)c1 ZINC000010314498 557215840 /nfs/dbraw/zinc/21/58/40/557215840.db2.gz LHUGSFIRQDXZFR-UHFFFAOYSA-N -1 1 437.521 4.315 40 0 IIABMM COC(=O)c1cccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000010333152 557216452 /nfs/dbraw/zinc/21/64/52/557216452.db2.gz SMUCLHHHNNXJNI-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1C(=O)N1CCCC1 ZINC000026115349 557442684 /nfs/dbraw/zinc/44/26/84/557442684.db2.gz XEEODZKDHHXHBU-UHFFFAOYSA-N -1 1 434.583 4.233 40 0 IIABMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(OCCc4ccccc4)c3)ccc21 ZINC000223845962 557520137 /nfs/dbraw/zinc/52/01/37/557520137.db2.gz LGJXEZGMAMKFOT-UHFFFAOYSA-N -1 1 436.533 4.018 40 0 IIABMM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)cc1OC ZINC000223934099 557531000 /nfs/dbraw/zinc/53/10/00/557531000.db2.gz XTIBJWOLDFQTPI-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3C)ccc2C)c1 ZINC000223942363 557531840 /nfs/dbraw/zinc/53/18/40/557531840.db2.gz CEJSIGJBLYYNJH-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1ccc(SCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC000223965319 557535692 /nfs/dbraw/zinc/53/56/92/557535692.db2.gz RRPLPHXXYYDFLR-UHFFFAOYSA-N -1 1 444.553 4.457 40 0 IIABMM COc1ccc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000223974235 557537182 /nfs/dbraw/zinc/53/71/82/557537182.db2.gz RJTCBUUYJQIGLH-UHFFFAOYSA-N -1 1 444.940 4.122 40 0 IIABMM C[C@@H](COc1ccccc1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223979929 557538623 /nfs/dbraw/zinc/53/86/23/557538623.db2.gz LUJDVWIVCXUXOZ-INIZCTEOSA-N -1 1 444.940 4.338 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)cc1 ZINC000223986512 557539763 /nfs/dbraw/zinc/53/97/63/557539763.db2.gz ZLJDFWRCMXCFCY-SFHVURJKSA-N -1 1 438.549 4.247 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3cc(C)ccc3C)cc2)cc1 ZINC000224001010 557542197 /nfs/dbraw/zinc/54/21/97/557542197.db2.gz PMRHAHZPSCRBFA-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2C)cc1 ZINC000224011213 557544039 /nfs/dbraw/zinc/54/40/39/557544039.db2.gz BZKCIHJNHPNGKQ-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccccc3)cc2C)cc1 ZINC000224014466 557544558 /nfs/dbraw/zinc/54/45/58/557544558.db2.gz UEPNFNDLAYOCSU-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCc3ccc(F)cc3)c2C)cc1 ZINC000224080696 557557416 /nfs/dbraw/zinc/55/74/16/557557416.db2.gz XLCUWEBZZMUOHQ-UHFFFAOYSA-N -1 1 426.513 4.216 40 0 IIABMM CCOc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000224080787 557557514 /nfs/dbraw/zinc/55/75/14/557557514.db2.gz CLOXWNXUFFCBPT-UHFFFAOYSA-N -1 1 442.512 4.297 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2)cc1 ZINC000224085309 557558587 /nfs/dbraw/zinc/55/85/87/557558587.db2.gz WOZAOJKJWIYWGP-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccc(F)cc3)cc2C)cc1 ZINC000224092002 557559635 /nfs/dbraw/zinc/55/96/35/557559635.db2.gz KBDWGITVXNSJJY-UHFFFAOYSA-N -1 1 442.512 4.216 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3cccc(Cl)c3)c2)cc1 ZINC000224097468 557560225 /nfs/dbraw/zinc/56/02/25/557560225.db2.gz IBDLAPQTUNPZBI-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3ccccc3Cl)c2)cc1 ZINC000224097921 557560490 /nfs/dbraw/zinc/56/04/90/557560490.db2.gz PIYQJOAACBYGIW-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3cccc(Cl)c3)c2)cc1 ZINC000224097990 557560538 /nfs/dbraw/zinc/56/05/38/557560538.db2.gz CHKLDRFTWGJSQM-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)c1 ZINC000224571231 557625418 /nfs/dbraw/zinc/62/54/18/557625418.db2.gz QNBKQWSVWMCFSO-UHFFFAOYSA-N -1 1 428.485 4.261 40 0 IIABMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1Cl ZINC000028206625 557646666 /nfs/dbraw/zinc/64/66/66/557646666.db2.gz UYNAPEVRXONHNA-UHFFFAOYSA-N -1 1 442.924 4.352 40 0 IIABMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1OC ZINC000033530783 557808325 /nfs/dbraw/zinc/80/83/25/557808325.db2.gz AFFOUQRJVKVPMX-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM COc1cc2[n-]c(=S)n(NC(=O)C(c3ccccc3)c3ccccc3)c(=O)c2cc1OC ZINC000239174229 557843111 /nfs/dbraw/zinc/84/31/11/557843111.db2.gz POJSZYOPULKOAI-UHFFFAOYSA-N -1 1 447.516 4.391 40 0 IIABMM CCc1nc(C)c(C(=O)N2CCC[C@@H](c3cccc([N-]c4nnc(CC)s4)n3)C2)o1 ZINC000257226543 568677392 /nfs/dbraw/zinc/67/73/92/568677392.db2.gz FLBKKHYZUPHBIT-CQSZACIVSA-N -1 1 426.546 4.118 40 0 IIABMM COc1ccc(OC)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)c1 ZINC000010314926 569222748 /nfs/dbraw/zinc/22/27/48/569222748.db2.gz RXQAGEQVUWACLT-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM CCOc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020458610 521499748 /nfs/dbraw/zinc/49/97/48/521499748.db2.gz WQIKHOSZWZAULF-UHFFFAOYSA-N -1 1 444.940 4.470 40 0 IIABMM COC(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000020458534 522120319 /nfs/dbraw/zinc/12/03/19/522120319.db2.gz CQLFNIFWRUSRFI-UHFFFAOYSA-N -1 1 444.896 4.180 40 0 IIABMM COc1ccc(CNC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000020485003 524065465 /nfs/dbraw/zinc/06/54/65/524065465.db2.gz UCVBKOKOVNIZAC-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc4c(c3)OCO4)c2)cc1 ZINC000020486988 525604081 /nfs/dbraw/zinc/60/40/81/525604081.db2.gz BANODKNYXCOYJG-UHFFFAOYSA-N -1 1 444.896 4.430 40 0 IIABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1Cl ZINC000408588048 555938509 /nfs/dbraw/zinc/93/85/09/555938509.db2.gz WPGVZNYYCYTCOQ-UHFFFAOYSA-N -1 1 437.686 4.144 40 0 IIABMM CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408591763 555952527 /nfs/dbraw/zinc/95/25/27/555952527.db2.gz JLKDECMEZXEQCB-CYBMUJFWSA-N -1 1 445.368 4.334 40 0 IIABMM CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408592228 555953631 /nfs/dbraw/zinc/95/36/31/555953631.db2.gz JLKDECMEZXEQCB-ZDUSSCGKSA-N -1 1 445.368 4.334 40 0 IIABMM COc1ccc(OC)c(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])c1 ZINC000408630845 556001610 /nfs/dbraw/zinc/00/16/10/556001610.db2.gz DDHPZNXNCRMHNM-MFOYZWKCSA-N -1 1 447.900 4.369 40 0 IIABMM COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000010112223 556325919 /nfs/dbraw/zinc/32/59/19/556325919.db2.gz JHAZVHJLGBEYDW-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM Cc1cc(C(=O)NCCSCc2ccco2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010113009 556326314 /nfs/dbraw/zinc/32/63/14/556326314.db2.gz SYJLZJPRQYHIMW-UHFFFAOYSA-N -1 1 430.551 4.052 40 0 IIABMM CCOC(=O)c1ccc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000013670634 556551538 /nfs/dbraw/zinc/55/15/38/556551538.db2.gz AYXDASFXZLXDDL-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2C)cc1 ZINC000013682277 556557432 /nfs/dbraw/zinc/55/74/32/556557432.db2.gz RWCKMTLDDJWCPL-UHFFFAOYSA-N -1 1 438.505 4.128 40 0 IIABMM O=C1N[C@@H](c2ccccc2Cl)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000001464513 556792960 /nfs/dbraw/zinc/79/29/60/556792960.db2.gz RWECVCFVBJZYFD-JKIFEVAISA-N -1 1 433.213 4.097 40 0 IIABMM C=C1N=C(SCc2cccc(C(=O)[O-])c2)N[C@H](c2ccccc2OC)C1C(=O)OCC ZINC000408869979 556874632 /nfs/dbraw/zinc/87/46/32/556874632.db2.gz USUOFDHDAFRQNF-HXUWFJFHSA-N -1 1 440.521 4.164 40 0 IIABMM CCOc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000020039829 556971441 /nfs/dbraw/zinc/97/14/41/556971441.db2.gz TVISPNIFQPVHFS-UHFFFAOYSA-N -1 1 438.549 4.433 40 0 IIABMM O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc21 ZINC000020766790 557128985 /nfs/dbraw/zinc/12/89/85/557128985.db2.gz WZNQJONSFAQSPF-UHFFFAOYSA-N -1 1 428.460 4.359 40 0 IIABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)ccc1OCc1ccc(F)cc1 ZINC000022110703 557178788 /nfs/dbraw/zinc/17/87/88/557178788.db2.gz BRNIGDNBPMDCBM-UHFFFAOYSA-N -1 1 437.500 4.473 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000009062092 557180017 /nfs/dbraw/zinc/18/00/17/557180017.db2.gz IMAITOWABRZXDO-UHFFFAOYSA-N -1 1 434.477 4.098 40 0 IIABMM O=C(Nc1nnc(-c2ccccc2)s1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000025449671 557210025 /nfs/dbraw/zinc/21/00/25/557210025.db2.gz ZYBMAHXNLSFZFI-UHFFFAOYSA-N -1 1 436.518 4.258 40 0 IIABMM CN(CCNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1 ZINC000219285532 557235765 /nfs/dbraw/zinc/23/57/65/557235765.db2.gz AYHIETUVOGRHTE-UHFFFAOYSA-N -1 1 443.956 4.007 40 0 IIABMM CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000026916037 557251327 /nfs/dbraw/zinc/25/13/27/557251327.db2.gz NLRPUZXJXADQPE-UHFFFAOYSA-N -1 1 442.468 4.056 40 0 IIABMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C)n(S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000013586022 557356095 /nfs/dbraw/zinc/35/60/95/557356095.db2.gz NSPQXTVYARICOC-UHFFFAOYSA-N -1 1 446.594 4.485 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 ZINC000014397318 557435396 /nfs/dbraw/zinc/43/53/96/557435396.db2.gz YEONDQLNVSDNRH-MRXNPFEDSA-N -1 1 428.485 4.341 40 0 IIABMM COC(=O)c1ccc(NCc2ccc(OC)cc2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223410859 557468638 /nfs/dbraw/zinc/46/86/38/557468638.db2.gz CKAFDJFHDKVVOD-UHFFFAOYSA-N -1 1 440.521 4.203 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NCc2ccccn2)cc1 ZINC000223422413 557470571 /nfs/dbraw/zinc/47/05/71/557470571.db2.gz YFHSUYXABKYJRT-UHFFFAOYSA-N -1 1 439.537 4.368 40 0 IIABMM CC(C)Sc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)s1 ZINC000223606548 557490978 /nfs/dbraw/zinc/49/09/78/557490978.db2.gz VGVVQLLZDSLAEQ-UHFFFAOYSA-N -1 1 434.568 4.092 40 0 IIABMM Cc1cccc(N2CCN(C(=O)c3cccc(S(=O)(=O)[N-]c4ccccc4)c3)CC2)c1C ZINC000223926519 557529751 /nfs/dbraw/zinc/52/97/51/557529751.db2.gz KWCUUYSPQPDZIB-UHFFFAOYSA-N -1 1 449.576 4.067 40 0 IIABMM CCCSc1nnc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000223933575 557530841 /nfs/dbraw/zinc/53/08/41/557530841.db2.gz BBOIVOLNSUQAJF-UHFFFAOYSA-N -1 1 448.595 4.402 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOCc3ccccc3)ccc2C)cc1 ZINC000223944335 557532168 /nfs/dbraw/zinc/53/21/68/557532168.db2.gz UCEITWNZVAJMFY-UHFFFAOYSA-N -1 1 438.549 4.051 40 0 IIABMM COc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000223958460 557534540 /nfs/dbraw/zinc/53/45/40/557534540.db2.gz VDEYZPSRRADHAI-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3ccccc3)c(Cl)c2)cc1 ZINC000224024516 557546606 /nfs/dbraw/zinc/54/66/06/557546606.db2.gz TVWFAKGGWDFEGW-UHFFFAOYSA-N -1 1 430.913 4.426 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)c3ccc(F)cc3)c2)cc1 ZINC000224043515 557550646 /nfs/dbraw/zinc/55/06/46/557550646.db2.gz ITTPURVISGKUPP-OAHLLOKOSA-N -1 1 428.485 4.126 40 0 IIABMM CCOc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000224080712 557557448 /nfs/dbraw/zinc/55/74/48/557557448.db2.gz UOMUAZOHNWSKLH-UHFFFAOYSA-N -1 1 442.512 4.297 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccc(F)cc3)cc2C)cc1 ZINC000224091082 557559561 /nfs/dbraw/zinc/55/95/61/557559561.db2.gz SEYJJYQEXNNXIB-UHFFFAOYSA-N -1 1 426.513 4.216 40 0 IIABMM CCSc1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)s1 ZINC000224296971 557587067 /nfs/dbraw/zinc/58/70/67/557587067.db2.gz GGAYCRBQCTWOPE-UHFFFAOYSA-N -1 1 448.595 4.320 40 0 IIABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)cc2sc1=O ZINC000225689166 557763977 /nfs/dbraw/zinc/76/39/77/557763977.db2.gz LBKFYNKYBHNKSY-UHFFFAOYSA-N -1 1 440.546 4.463 40 0 IIABMM CN1c2ccc(S(=O)(=O)[N-]c3ccc4oc5c(c4c3)C(=O)CCC5)c3cccc(c23)C1=O ZINC000001926350 568742321 /nfs/dbraw/zinc/74/23/21/568742321.db2.gz YAXBLCHEZYTYNF-UHFFFAOYSA-N -1 1 446.484 4.496 40 0 IIABMM COc1cccc(N2C(=S)N=NC2c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000013534002 568828291 /nfs/dbraw/zinc/82/82/91/568828291.db2.gz JPQVBDXILWMGPD-UHFFFAOYSA-N -1 1 438.534 4.032 40 0 IIABMM Cc1ccc(CSCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000247942422 569206499 /nfs/dbraw/zinc/20/64/99/569206499.db2.gz VIFOIEAETARMQQ-UHFFFAOYSA-N -1 1 440.590 4.459 40 0 IIABMM COc1ccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000010335913 569223513 /nfs/dbraw/zinc/22/35/13/569223513.db2.gz WGVKVRQRDHAMGV-UHFFFAOYSA-N -1 1 438.549 4.385 40 0 IIABMM CC(=O)Nc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000015421813 569225497 /nfs/dbraw/zinc/22/54/97/569225497.db2.gz UJTFEDIWGBROGS-UHFFFAOYSA-N -1 1 437.521 4.315 40 0 IIABMM CC(=O)Nc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000016644073 569225786 /nfs/dbraw/zinc/22/57/86/569225786.db2.gz NHYIMHWGHSCYPR-UHFFFAOYSA-N -1 1 437.521 4.315 40 0 IIABMM COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c(OC)c1 ZINC000016635606 569225808 /nfs/dbraw/zinc/22/58/08/569225808.db2.gz OEMKJTMCARGAJI-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM CCOc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)cc1 ZINC000026115766 569242306 /nfs/dbraw/zinc/24/23/06/569242306.db2.gz HZGQJTZENVKZRF-UHFFFAOYSA-N -1 1 434.583 4.234 40 0 IIABMM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000033563945 569244597 /nfs/dbraw/zinc/24/45/97/569244597.db2.gz KOJDOMZNODRNNB-UHFFFAOYSA-N -1 1 445.368 4.479 40 0 IIABMM O=C([O-])C1CCN(Cc2c(-c3ccc(F)cc3)nc3ccc(Br)cn32)CC1 ZINC000002528864 569407783 /nfs/dbraw/zinc/40/77/83/569407783.db2.gz OFUYYLVRZZTOPW-UHFFFAOYSA-N -1 1 432.293 4.200 40 0 IIABMM O=C([O-])c1ccc(CN2C[C@@H](F)[C@@H](OCc3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1 ZINC000096112246 291386127 /nfs/dbraw/zinc/38/61/27/291386127.db2.gz CJWUUEVCTMGWGD-QAPCUYQASA-N -1 1 437.393 4.019 40 0 biogenic,in-vitro IIABMM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000020491522 522874278 /nfs/dbraw/zinc/87/42/78/522874278.db2.gz PUNYZCVVJRJPBG-NRFANRHFSA-N -1 1 428.485 4.423 40 0 IIABMM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000022518135 524066638 /nfs/dbraw/zinc/06/66/38/524066638.db2.gz OKURKJYTFRNAGB-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1NC(=O)c1ccccc1C ZINC000408559715 555899361 /nfs/dbraw/zinc/89/93/61/555899361.db2.gz XTLZKTPVZQZMBR-UHFFFAOYSA-N -1 1 438.505 4.259 40 0 IIABMM COc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)c1 ZINC000408600676 555968626 /nfs/dbraw/zinc/96/86/26/555968626.db2.gz BXRVTBQWJNRKKW-UHFFFAOYSA-N -1 1 446.912 4.167 40 0 IIABMM Cc1ccccc1CSCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010334121 556332775 /nfs/dbraw/zinc/33/27/75/556332775.db2.gz VQCKUUAKZISBQM-UHFFFAOYSA-N -1 1 440.590 4.459 40 0 IIABMM CCOc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC000018074203 556683037 /nfs/dbraw/zinc/68/30/37/556683037.db2.gz UINCBZZBDNROMS-UHFFFAOYSA-N -1 1 442.512 4.297 40 0 IIABMM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000085994169 556744063 /nfs/dbraw/zinc/74/40/63/556744063.db2.gz JQUZKCPXNCFLNV-SGNDLWITSA-N -1 1 444.487 4.063 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)c1 ZINC000408920972 556891002 /nfs/dbraw/zinc/89/10/02/556891002.db2.gz AARTUMGZWHQACT-WUXMJOGZSA-N -1 1 436.489 4.176 40 0 IIABMM CCc1ccc2nc(Nc3nc(CSc4nc(C)cc(C)n4)cc(=O)[n-]3)nc(C)c2c1 ZINC000019817397 556920129 /nfs/dbraw/zinc/92/01/29/556920129.db2.gz APJRWKVAWXCMSG-UHFFFAOYSA-N -1 1 433.541 4.027 40 0 IIABMM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102729387 557131664 /nfs/dbraw/zinc/13/16/64/557131664.db2.gz JQUZKCPXNCFLNV-TZRRMPRUSA-N -1 1 444.487 4.063 40 0 IIABMM COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)c1 ZINC000102735967 557131914 /nfs/dbraw/zinc/13/19/14/557131914.db2.gz YCFGGOFKEXXIIW-KMDXXIMOSA-N -1 1 428.488 4.363 40 0 IIABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)cc(Br)c1OC ZINC000022109960 557178263 /nfs/dbraw/zinc/17/82/63/557178263.db2.gz KHMRDKGSPGDZRD-UHFFFAOYSA-N -1 1 436.173 4.170 40 0 IIABMM COc1ccc(C(=O)N2CCc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc32)cc1 ZINC000222985528 557411860 /nfs/dbraw/zinc/41/18/60/557411860.db2.gz PQOQZUMIJYWLEP-UHFFFAOYSA-N -1 1 442.924 4.352 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C(=O)N1CCCC1 ZINC000026114972 557442240 /nfs/dbraw/zinc/44/22/40/557442240.db2.gz OGZXWUVRIQDWQG-UHFFFAOYSA-N -1 1 428.938 4.238 40 0 IIABMM COc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000026119683 557450434 /nfs/dbraw/zinc/45/04/34/557450434.db2.gz DNONPYSYFFDIGD-UHFFFAOYSA-N -1 1 434.583 4.234 40 0 IIABMM CCCSc1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)s1 ZINC000223638836 557495210 /nfs/dbraw/zinc/49/52/10/557495210.db2.gz OHEXEEKWQKSSAB-UHFFFAOYSA-N -1 1 448.595 4.402 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3cccc(C)c3C)c2)cc1 ZINC000223928228 557530033 /nfs/dbraw/zinc/53/00/33/557530033.db2.gz JWVNKPVSAYCNCE-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccc(F)cc3)ccc2C)cc1 ZINC000223944038 557532194 /nfs/dbraw/zinc/53/21/94/557532194.db2.gz OCKAHSWZKPRBNF-UHFFFAOYSA-N -1 1 426.513 4.216 40 0 IIABMM Cc1ccc(OC[C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000223952308 557533560 /nfs/dbraw/zinc/53/35/60/557533560.db2.gz ILRNYWMJSQPSKF-IBGZPJMESA-N -1 1 438.549 4.302 40 0 IIABMM CCOc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000223977226 557537833 /nfs/dbraw/zinc/53/78/33/557537833.db2.gz XNOHIXHYEKNVTF-UHFFFAOYSA-N -1 1 444.940 4.470 40 0 IIABMM Cc1ccc(C)c(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000224001170 557542223 /nfs/dbraw/zinc/54/22/23/557542223.db2.gz BNFQLYJOEXECFB-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1ccc(OC[C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1C ZINC000224026458 557547087 /nfs/dbraw/zinc/54/70/87/557547087.db2.gz PAYJFBUPFMTDCI-LJQANCHMSA-N -1 1 438.549 4.302 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3CCCc4ccccc43)c2)cc1 ZINC000224043142 557550446 /nfs/dbraw/zinc/55/04/46/557550446.db2.gz OHOFCNQIWHNSNE-QHCPKHFHSA-N -1 1 436.533 4.303 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H](C)COc3ccccc3)ccc2C)cc1 ZINC000224047551 557551335 /nfs/dbraw/zinc/55/13/35/557551335.db2.gz GDIMMHIXWABXAF-IBGZPJMESA-N -1 1 438.549 4.302 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3ccc(C)cc3)c2)cc1 ZINC000224070987 557555227 /nfs/dbraw/zinc/55/52/27/557555227.db2.gz UEHGBDRQHVCZKA-UHFFFAOYSA-N -1 1 444.940 4.388 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3cc(C)cc(C)c3)cc2)cc1 ZINC000224072831 557555474 /nfs/dbraw/zinc/55/54/74/557555474.db2.gz CWZRRZUSURZICJ-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM CCCc1ccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000224074830 557555752 /nfs/dbraw/zinc/55/57/52/557555752.db2.gz LFWHKWGTXXSGPB-UHFFFAOYSA-N -1 1 438.549 4.249 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCOc3ccc(C)cc3C)c2)cc1 ZINC000224075516 557556036 /nfs/dbraw/zinc/55/60/36/557556036.db2.gz CXCLKRJAGUWPNR-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM CCOc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000224078261 557556866 /nfs/dbraw/zinc/55/68/66/557556866.db2.gz UIQZUQCAEFZMJD-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCOc3ccccc3C)ccc2C)cc1 ZINC000224085069 557558386 /nfs/dbraw/zinc/55/83/86/557558386.db2.gz DNZRUKGINXLEAQ-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM CCOc1cccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000224088992 557559094 /nfs/dbraw/zinc/55/90/94/557559094.db2.gz SBWIGVVEGIXJCR-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM O=C(NCCc1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000224402419 557602360 /nfs/dbraw/zinc/60/23/60/557602360.db2.gz OOIGWSUOZQKNGQ-UHFFFAOYSA-N -1 1 432.904 4.252 40 0 IIABMM Cc1cc(C(=O)Nc2nnc(SC(C)C)s2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224922372 557667408 /nfs/dbraw/zinc/66/74/08/557667408.db2.gz PDCPUKCJELEBEE-UHFFFAOYSA-N -1 1 448.595 4.400 40 0 IIABMM CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)s1 ZINC000225407116 557719181 /nfs/dbraw/zinc/71/91/81/557719181.db2.gz RAZFGFRBEYPDJF-UHFFFAOYSA-N -1 1 448.595 4.238 40 0 IIABMM CCc1nnc([N-]c2cccc([C@H]3CN(C(=O)c4cccc5ncccc54)CCO3)n2)s1 ZINC000257226631 568677394 /nfs/dbraw/zinc/67/73/94/568677394.db2.gz FLLGUTXMBPXISY-LJQANCHMSA-N -1 1 446.536 4.001 40 0 IIABMM COc1ccccc1-c1ccccc1CN1CCCC[C@H]1c1[n-]ncc1S(C)(=O)=O ZINC000257296572 568709780 /nfs/dbraw/zinc/70/97/80/568709780.db2.gz RDJKEOWEXDRSOR-FQEVSTJZSA-N -1 1 425.554 4.216 40 0 IIABMM COc1ccccc1-c1ccccc1CN1CCCC[C@H]1c1n[n-]cc1S(C)(=O)=O ZINC000257296572 568709781 /nfs/dbraw/zinc/70/97/81/568709781.db2.gz RDJKEOWEXDRSOR-FQEVSTJZSA-N -1 1 425.554 4.216 40 0 IIABMM CC(=O)Nc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000010314607 569222547 /nfs/dbraw/zinc/22/25/47/569222547.db2.gz ZJUXJIFWENECPW-UHFFFAOYSA-N -1 1 437.521 4.315 40 0 IIABMM CC(=O)Nc1cccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000010315277 569222719 /nfs/dbraw/zinc/22/27/19/569222719.db2.gz KRRAKTVJJZSLBS-UHFFFAOYSA-N -1 1 437.521 4.315 40 0 IIABMM COc1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1 ZINC000058110819 569249524 /nfs/dbraw/zinc/24/95/24/569249524.db2.gz ZNQUAFHQUIAHFV-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM CC1=C[C@@H](CNC(=O)CCCC(=O)[O-])[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000072320928 291380303 /nfs/dbraw/zinc/38/03/03/291380303.db2.gz DZKIGFXCLHUWRD-LNLFQRSKSA-N -1 1 429.536 4.470 40 0 biogenic,in-vitro IIABMM CC(=O)Nc1cccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000020460830 519744041 /nfs/dbraw/zinc/74/40/41/519744041.db2.gz KJAKQDNTPIEFRR-UHFFFAOYSA-N -1 1 443.912 4.352 40 0 IIABMM CCOc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000020459924 521500543 /nfs/dbraw/zinc/50/05/43/521500543.db2.gz LNWIQSAZZOYOFG-UHFFFAOYSA-N -1 1 438.549 4.433 40 0 IIABMM CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000020460107 523052704 /nfs/dbraw/zinc/05/27/04/523052704.db2.gz ZMMJDKOZDVSBTP-JOCHJYFZSA-N -1 1 440.521 4.292 40 0 IIABMM CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408536444 555764681 /nfs/dbraw/zinc/76/46/81/555764681.db2.gz ZNEDEWGSRAHQCL-UHFFFAOYSA-N -1 1 431.341 4.088 40 0 IIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N1CCCCC1 ZINC000408560796 555902326 /nfs/dbraw/zinc/90/23/26/555902326.db2.gz FDBWSLPJFCGWPV-UHFFFAOYSA-N -1 1 438.347 4.268 40 0 IIABMM CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408582543 555933884 /nfs/dbraw/zinc/93/38/84/555933884.db2.gz DCONYSSGPGWLCM-UHFFFAOYSA-N -1 1 426.336 4.027 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c1 ZINC000408591986 555952555 /nfs/dbraw/zinc/95/25/55/555952555.db2.gz MWCNDIAXHYYKGN-UHFFFAOYSA-N -1 1 446.912 4.167 40 0 IIABMM CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1 ZINC000408608805 555979112 /nfs/dbraw/zinc/97/91/12/555979112.db2.gz SJTJPINVKDJPMZ-MRXNPFEDSA-N -1 1 442.562 4.152 40 0 IIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Cl)ccc3O)C(=O)[O-])n2)c1 ZINC000408634451 556014919 /nfs/dbraw/zinc/01/49/19/556014919.db2.gz UUWCONNDNAELSI-PXNMLYILSA-N -1 1 433.873 4.066 40 0 IIABMM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408636229 556019005 /nfs/dbraw/zinc/01/90/05/556019005.db2.gz MFXAKNLLLXHWOC-CYBMUJFWSA-N -1 1 445.368 4.478 40 0 IIABMM CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000408695769 556098075 /nfs/dbraw/zinc/09/80/75/556098075.db2.gz YWOZBXMKWRBERJ-FQEVSTJZSA-N -1 1 440.521 4.292 40 0 IIABMM O=C([O-])c1cccc(COc2ccc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)c1 ZINC000035419611 556100515 /nfs/dbraw/zinc/10/05/15/556100515.db2.gz VMIRTCSLAPIDEZ-UDWIEESQSA-N -1 1 446.415 4.059 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(N4CCCC4=O)c3)c2)cc1 ZINC000011916911 556376598 /nfs/dbraw/zinc/37/65/98/556376598.db2.gz SEFPANMOYZRODF-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM CC(C)(C)SCCNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000030857420 556510478 /nfs/dbraw/zinc/51/04/78/556510478.db2.gz RSWOLRKWDBBPKR-UHFFFAOYSA-N -1 1 426.991 4.402 40 0 IIABMM O=S(=O)([N-]c1ccc(I)cc1)c1ccc2c3c(cccc31)CC2 ZINC000226861700 556685631 /nfs/dbraw/zinc/68/56/31/556685631.db2.gz YJHKHQCJZKXWNY-UHFFFAOYSA-N -1 1 435.286 4.344 40 0 IIABMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000064467891 556824181 /nfs/dbraw/zinc/82/41/81/556824181.db2.gz KBRRMPYALXYLRH-UHFFFAOYSA-N -1 1 428.535 4.470 40 0 IIABMM COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000408907756 556884997 /nfs/dbraw/zinc/88/49/97/556884997.db2.gz QSYYZDOAEWEXOX-UHFFFAOYSA-N -1 1 440.521 4.130 40 0 IIABMM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000096786953 556970317 /nfs/dbraw/zinc/97/03/17/556970317.db2.gz BQFOUNRVJDTJHS-SGNDLWITSA-N -1 1 444.487 4.069 40 0 IIABMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)N1CCc2ccccc2C1 ZINC000020110357 556985005 /nfs/dbraw/zinc/98/50/05/556985005.db2.gz YPTIHHNZUAEWFK-UHFFFAOYSA-N -1 1 426.925 4.339 40 0 IIABMM CSc1ccccc1NC(=O)Cc1c(C)nc(SCc2ccccc2F)[n-]c1=O ZINC000023138643 557022077 /nfs/dbraw/zinc/02/20/77/557022077.db2.gz LHQHEJUISJBTCS-UHFFFAOYSA-N -1 1 429.542 4.413 40 0 IIABMM O=C1N[C@@H](c2ccc(Cl)cc2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000100736412 557116959 /nfs/dbraw/zinc/11/69/59/557116959.db2.gz ZNMZCTBQRLPDHG-GRDNDAEWSA-N -1 1 433.213 4.097 40 0 IIABMM COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000009903752 557193736 /nfs/dbraw/zinc/19/37/36/557193736.db2.gz SOOXGBATUZSBGH-UHFFFAOYSA-N -1 1 440.521 4.294 40 0 IIABMM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000223635714 557494694 /nfs/dbraw/zinc/49/46/94/557494694.db2.gz RPNHRJPQUXEPDV-UHFFFAOYSA-N -1 1 432.716 4.316 40 0 IIABMM CC(C)c1ccccc1OCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000223772728 557511234 /nfs/dbraw/zinc/51/12/34/557511234.db2.gz HEQPAQQBLODHBW-UHFFFAOYSA-N -1 1 438.549 4.420 40 0 IIABMM Cc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1C ZINC000223921518 557529253 /nfs/dbraw/zinc/52/92/53/557529253.db2.gz GMPXSLJWSZPNDE-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM CCCc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000223929670 557530236 /nfs/dbraw/zinc/53/02/36/557530236.db2.gz WQXRNJIDQXCALK-UHFFFAOYSA-N -1 1 438.549 4.249 40 0 IIABMM Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000223937776 557531365 /nfs/dbraw/zinc/53/13/65/557531365.db2.gz DTRORBANJQLNRP-UHFFFAOYSA-N -1 1 428.941 4.422 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)COc3ccc(C)cc3)c2)cc1 ZINC000223958756 557534653 /nfs/dbraw/zinc/53/46/53/557534653.db2.gz YUFHOJKTRQTVCT-IBGZPJMESA-N -1 1 438.549 4.302 40 0 IIABMM COc1ccccc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223978380 557538353 /nfs/dbraw/zinc/53/83/53/557538353.db2.gz KGEGPJHZUQIPSY-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3C)cc2)cc1 ZINC000223994013 557541086 /nfs/dbraw/zinc/54/10/86/557541086.db2.gz GIORMUQLLJTIOH-UHFFFAOYSA-N -1 1 426.563 4.448 40 0 IIABMM Cc1cc(C(=O)NCCOc2ccccc2Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224000425 557542104 /nfs/dbraw/zinc/54/21/04/557542104.db2.gz MEFAFQWJGDXESX-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC3=CCCCC3)cc2C)cc1 ZINC000224013018 557544035 /nfs/dbraw/zinc/54/40/35/557544035.db2.gz BWBUVZWORUMVRV-UHFFFAOYSA-N -1 1 428.554 4.425 40 0 IIABMM COc1ccc(CCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224029897 557547666 /nfs/dbraw/zinc/54/76/66/557547666.db2.gz VMLPLXKTEBDEGF-UHFFFAOYSA-N -1 1 444.940 4.122 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccccc3Cl)cc2)cc1 ZINC000224085261 557558476 /nfs/dbraw/zinc/55/84/76/557558476.db2.gz YNNINLGLZYIRDU-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM O=C(NCCOc1ccc(F)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224399736 557601706 /nfs/dbraw/zinc/60/17/06/557601706.db2.gz SWHNSRBAUHXSCY-UHFFFAOYSA-N -1 1 448.903 4.089 40 0 IIABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 ZINC000224521759 557616042 /nfs/dbraw/zinc/61/60/42/557616042.db2.gz UNHKQFOGKXBZFV-UHFFFAOYSA-N -1 1 430.913 4.467 40 0 IIABMM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000224570000 557625077 /nfs/dbraw/zinc/62/50/77/557625077.db2.gz MQLIHLXPYSELJB-UHFFFAOYSA-N -1 1 430.913 4.467 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(Cl)c3)cc2)c1 ZINC000224570606 557625290 /nfs/dbraw/zinc/62/52/90/557625290.db2.gz LJWOESNJOJGFKX-UHFFFAOYSA-N -1 1 430.913 4.467 40 0 IIABMM CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)s1 ZINC000225363171 557714325 /nfs/dbraw/zinc/71/43/25/557714325.db2.gz YFBGVJZCUSLGLA-UHFFFAOYSA-N -1 1 448.595 4.238 40 0 IIABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1nnc(SC(C)C)s1 ZINC000225867335 557787073 /nfs/dbraw/zinc/78/70/73/557787073.db2.gz ZMHDPWHDBOVKTI-UHFFFAOYSA-N -1 1 448.595 4.400 40 0 IIABMM Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000033529330 557808120 /nfs/dbraw/zinc/80/81/20/557808120.db2.gz SZCSMXZUEFKSQS-YBFXNURJSA-N -1 1 447.447 4.196 40 0 IIABMM CCc1nnc([N-]c2cccc([C@@H]3CN(Cc4ccc(C)cc4OC)CCO3)n2)s1 ZINC000257264177 568695190 /nfs/dbraw/zinc/69/51/90/568695190.db2.gz LTFUDBKFQUQJEN-IBGZPJMESA-N -1 1 425.558 4.130 40 0 IIABMM COc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c(OC)c1 ZINC000010358406 569223771 /nfs/dbraw/zinc/22/37/71/569223771.db2.gz QQDVUHXJGUEZSF-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM O=C1N[C@@H](c2ccccc2Cl)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915409 569292300 /nfs/dbraw/zinc/29/23/00/569292300.db2.gz RWECVCFVBJZYFD-KEYYUXOJSA-N -1 1 433.213 4.097 40 0 IIABMM O=C1N[C@@H](c2ccc(Cl)cc2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915319 569292346 /nfs/dbraw/zinc/29/23/46/569292346.db2.gz ZNMZCTBQRLPDHG-KEYYUXOJSA-N -1 1 433.213 4.097 40 0 IIABMM Cc1cccc(C)c1NC(=O)CSc1nnc([N-]C(=O)c2c(F)cccc2F)s1 ZINC000035312011 524283028 /nfs/dbraw/zinc/28/30/28/524283028.db2.gz XBGXYXWLONSWNQ-UHFFFAOYSA-N -1 1 434.493 4.416 40 0 IIABMM Cc1nc(Nc2nc(C)c(Cc3ccc(Br)cc3)c(=O)[n-]2)nc2ccccc12 ZINC000020797929 527005605 /nfs/dbraw/zinc/00/56/05/527005605.db2.gz FMCTVTUHUXJCDA-UHFFFAOYSA-N -1 1 436.313 4.427 40 0 IIABMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1cccc(Br)c1 ZINC000001505860 555702213 /nfs/dbraw/zinc/70/22/13/555702213.db2.gz PREYRIJGMMJBJF-OVCLIPMQSA-N -1 1 434.267 4.001 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1C ZINC000408548154 555802812 /nfs/dbraw/zinc/80/28/12/555802812.db2.gz PWEDUGCPVFZHLM-UHFFFAOYSA-N -1 1 438.505 4.128 40 0 IIABMM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408563391 555893560 /nfs/dbraw/zinc/89/35/60/555893560.db2.gz VPLOOORKEDJNNL-UHFFFAOYSA-N -1 1 426.336 4.124 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)c1 ZINC000408597230 555964656 /nfs/dbraw/zinc/96/46/56/555964656.db2.gz YADSXCVPCYCXOB-UHFFFAOYSA-N -1 1 440.521 4.130 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC(=O)Nc4ccccc43)ccc2C)cc1C ZINC000408607535 555967938 /nfs/dbraw/zinc/96/79/38/555967938.db2.gz MSZDVFYFIIYCOF-UHFFFAOYSA-N -1 1 449.532 4.012 40 0 IIABMM COc1ccc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc1O ZINC000408630571 556001401 /nfs/dbraw/zinc/00/14/01/556001401.db2.gz BXTIHJWOWXBANX-PXNMLYILSA-N -1 1 433.873 4.066 40 0 IIABMM CCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408636021 556012765 /nfs/dbraw/zinc/01/27/65/556012765.db2.gz KQUZRSBDMKJASE-UHFFFAOYSA-N -1 1 431.341 4.089 40 0 IIABMM O=C1N[C@@H](c2ccc(Cl)c(Cl)c2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000008915344 556232540 /nfs/dbraw/zinc/23/25/40/556232540.db2.gz TVXBNNHLJSPBRH-GRDNDAEWSA-N -1 1 433.213 4.097 40 0 IIABMM CCOC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)c1 ZINC000010112266 556325928 /nfs/dbraw/zinc/32/59/28/556325928.db2.gz UBFMKGBJVIPZCB-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(C)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000100935299 556612068 /nfs/dbraw/zinc/61/20/68/556612068.db2.gz RHSRUBXZYIKUKT-SGNDLWITSA-N -1 1 428.488 4.363 40 0 IIABMM Nc1nc(N2CCc3ccccc3C2)[n-]c(=O)c1C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000040385585 556635740 /nfs/dbraw/zinc/63/57/40/556635740.db2.gz GZBZTKLKNLNYST-UHFFFAOYSA-N -1 1 446.363 4.009 40 0 IIABMM Cc1nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c2c(=S)n1-c1ccc(Cl)cc1 ZINC000040386893 556636012 /nfs/dbraw/zinc/63/60/12/556636012.db2.gz QSFZQZAWKBVQGU-UHFFFAOYSA-N -1 1 435.940 4.363 40 0 IIABMM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1OC ZINC000017124656 556668837 /nfs/dbraw/zinc/66/88/37/556668837.db2.gz MXROFCLJNJDLBB-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc([N-]C(=O)c2c(F)cccc2F)s1 ZINC000001381552 556796895 /nfs/dbraw/zinc/79/68/95/556796895.db2.gz SWJUVQIUZOCHEB-NSHDSACASA-N -1 1 446.504 4.139 40 0 IIABMM CCOC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000060524989 556808201 /nfs/dbraw/zinc/80/82/01/556808201.db2.gz AALBDFCMASATIP-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM CSCC[C@@H](NC(=O)c1cccc2c(C)c(C)[nH]c21)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019576920 556815196 /nfs/dbraw/zinc/81/51/96/556815196.db2.gz POIXYMKGMNTFTM-GOSISDBHSA-N -1 1 447.564 4.154 40 0 IIABMM C=C1N=C(SCc2cccc(C(=O)[O-])c2)N[C@@H](c2ccccc2OC)C1C(=O)OCC ZINC000408869976 556874673 /nfs/dbraw/zinc/87/46/73/556874673.db2.gz USUOFDHDAFRQNF-FQEVSTJZSA-N -1 1 440.521 4.164 40 0 IIABMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1ccccc1Br ZINC000408919161 556891546 /nfs/dbraw/zinc/89/15/46/556891546.db2.gz UEFFSDGDTSNXHD-MHWRWJLKSA-N -1 1 448.294 4.391 40 0 IIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2C)c1 ZINC000409408392 557107795 /nfs/dbraw/zinc/10/77/95/557107795.db2.gz CGFKFMSDVHZZCY-UHFFFAOYSA-N -1 1 438.505 4.394 40 0 IIABMM COc1cc(-c2nc3cc([N-]S(=O)(=O)c4ccccc4)ccc3o2)cc(OC)c1OC ZINC000010120241 557206811 /nfs/dbraw/zinc/20/68/11/557206811.db2.gz NCZRIYRCAGIQHU-UHFFFAOYSA-N -1 1 440.477 4.321 40 0 IIABMM COC(=O)c1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010314893 557216136 /nfs/dbraw/zinc/21/61/36/557216136.db2.gz LVIQNNDZBYSQTE-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM COC(=O)c1cn(C(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c2ccccc12 ZINC000222602023 557359803 /nfs/dbraw/zinc/35/98/03/557359803.db2.gz BXJIQGDNYRIYTI-UHFFFAOYSA-N -1 1 448.500 4.226 40 0 IIABMM COC(=O)c1ccc(NCCCOC(C)C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000223416707 557469495 /nfs/dbraw/zinc/46/94/95/557469495.db2.gz JCVQLTZEYDYOQL-UHFFFAOYSA-N -1 1 440.949 4.154 40 0 IIABMM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000223654390 557497710 /nfs/dbraw/zinc/49/77/10/557497710.db2.gz VJXTYSROXRRVAI-UHFFFAOYSA-N -1 1 432.716 4.316 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(F)cc2)ccc1C ZINC000223940541 557531569 /nfs/dbraw/zinc/53/15/69/557531569.db2.gz PYLLJYPOHQMFHS-UHFFFAOYSA-N -1 1 426.513 4.216 40 0 IIABMM Cc1ccc(OC[C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000223971688 557536889 /nfs/dbraw/zinc/53/68/89/557536889.db2.gz HGTJTPUALAWVNN-IBGZPJMESA-N -1 1 438.549 4.302 40 0 IIABMM COC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000223973627 557537217 /nfs/dbraw/zinc/53/72/17/557537217.db2.gz WBRXUHTXRREZHJ-UHFFFAOYSA-N -1 1 444.896 4.180 40 0 IIABMM C[C@H](COc1ccccc1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223979990 557538528 /nfs/dbraw/zinc/53/85/28/557538528.db2.gz LUJDVWIVCXUXOZ-MRXNPFEDSA-N -1 1 444.940 4.338 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)cc1 ZINC000223981547 557538878 /nfs/dbraw/zinc/53/88/78/557538878.db2.gz LIKICFFISBSOHH-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM CCOc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)c(C)c1 ZINC000224010737 557543858 /nfs/dbraw/zinc/54/38/58/557543858.db2.gz PBNJQLSOHAKLKH-UHFFFAOYSA-N -1 1 440.521 4.455 40 0 IIABMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)c(C)c2)cc1 ZINC000224010666 557543867 /nfs/dbraw/zinc/54/38/67/557543867.db2.gz RCUOFDFCQSMKJB-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM CCOc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000224089059 557559071 /nfs/dbraw/zinc/55/90/71/557559071.db2.gz ZZEYLYMNUNNBSK-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM COc1cccc(CNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000224103283 557561529 /nfs/dbraw/zinc/56/15/29/557561529.db2.gz IKYWJVGXRILADF-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM Cc1ccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1Cl ZINC000224146562 557566458 /nfs/dbraw/zinc/56/64/58/557566458.db2.gz YRPIDFJTBYRPIM-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)cc2)c1 ZINC000224553252 557621892 /nfs/dbraw/zinc/62/18/92/557621892.db2.gz SMSGEALAVHAGOL-QGZVFWFLSA-N -1 1 440.521 4.210 40 0 IIABMM COc1ccc([N-]S(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1Cl ZINC000225754816 557773482 /nfs/dbraw/zinc/77/34/82/557773482.db2.gz JOSYWZWCJFVLOJ-UHFFFAOYSA-N -1 1 428.963 4.466 40 0 IIABMM CCc1nnc([N-]c2cccc([C@@H]3CN(Cc4ccc5ncccc5c4)CCO3)n2)s1 ZINC000257248839 568687790 /nfs/dbraw/zinc/68/77/90/568687790.db2.gz JFLHKULWUIAYNC-FQEVSTJZSA-N -1 1 432.553 4.361 40 0 IIABMM CCCN1CCN(C(=O)c2ncccc2[O-])C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000257286687 568705402 /nfs/dbraw/zinc/70/54/02/568705402.db2.gz PMOMZYWTHGZMIW-QFIPXVFZSA-N -1 1 443.547 4.008 40 0 IIABMM COc1cc(C)c(CN2CCO[C@@H](c3cccc([N-]c4nnc(C)s4)n3)C2)c(C)c1C ZINC000257308924 568715182 /nfs/dbraw/zinc/71/51/82/568715182.db2.gz TYTFXPOQFIDGLD-OAQYLSRUSA-N -1 1 439.585 4.492 40 0 IIABMM CCc1nnc([N-]c2cccc([C@H]3CCCN(C(=O)c4sc(C)nc4C)C3)n2)s1 ZINC000257322755 568720965 /nfs/dbraw/zinc/72/09/65/568720965.db2.gz WHHINUFEIWRHSH-AWEZNQCLSA-N -1 1 428.587 4.332 40 0 IIABMM COc1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c(OC)c1 ZINC000010313792 569222415 /nfs/dbraw/zinc/22/24/15/569222415.db2.gz JAWYZKOHCQEFRH-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1OC ZINC000015589380 569225578 /nfs/dbraw/zinc/22/55/78/569225578.db2.gz BBHIZMAJEORRSJ-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM CCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000033459885 569244119 /nfs/dbraw/zinc/24/41/19/569244119.db2.gz NDPSPQAVCNFFNV-UHFFFAOYSA-N -1 1 431.341 4.089 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3OC)cc2C)cc1 ZINC000224010888 525079545 /nfs/dbraw/zinc/07/95/45/525079545.db2.gz BWWPPXSXJMMJSO-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM O=C(Nc1ccc2c(c1)OCO2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020487734 527290580 /nfs/dbraw/zinc/29/05/80/527290580.db2.gz CELOAFVABCQSLU-UHFFFAOYSA-N -1 1 430.869 4.122 40 0 IIABMM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000408575474 555926029 /nfs/dbraw/zinc/92/60/29/555926029.db2.gz LTFBCOXTYYSVON-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)cc1 ZINC000408595859 555962820 /nfs/dbraw/zinc/96/28/20/555962820.db2.gz VLKJWCFXYNODMW-UHFFFAOYSA-N -1 1 444.940 4.144 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C(=O)N1CCCCC1 ZINC000408627193 555998068 /nfs/dbraw/zinc/99/80/68/555998068.db2.gz YIMRBHFVROGEBQ-UHFFFAOYSA-N -1 1 437.359 4.184 40 0 IIABMM CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408637252 556020191 /nfs/dbraw/zinc/02/01/91/556020191.db2.gz YSLQYOSIHKKMNB-LBPRGKRZSA-N -1 1 431.341 4.088 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1C(=O)N1CCCCCC1 ZINC000408693339 556093850 /nfs/dbraw/zinc/09/38/50/556093850.db2.gz PCYAZXMWDUZZSW-UHFFFAOYSA-N -1 1 436.961 4.474 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1C(=O)N1CCCCCC1 ZINC000408693465 556099262 /nfs/dbraw/zinc/09/92/62/556099262.db2.gz VTZCBNRADMBHHG-UHFFFAOYSA-N -1 1 434.583 4.234 40 0 IIABMM CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000015499443 556531327 /nfs/dbraw/zinc/53/13/27/556531327.db2.gz WMZJOENVQITKTM-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM CCOC(=O)c1cccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000013632156 556539500 /nfs/dbraw/zinc/53/95/00/556539500.db2.gz KRRPAXYJHOIKNF-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cccc4ccccc42)CC(=O)N3)cc1 ZINC000040400383 556643376 /nfs/dbraw/zinc/64/33/76/556643376.db2.gz OEDPAOBSAINYEU-SFHVURJKSA-N -1 1 439.475 4.040 40 0 IIABMM COc1ccccc1CNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000044847373 556669674 /nfs/dbraw/zinc/66/96/74/556669674.db2.gz LPXYNNIPCZWIOX-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)c1 ZINC000095483663 556757263 /nfs/dbraw/zinc/75/72/63/556757263.db2.gz YCFGGOFKEXXIIW-SGNDLWITSA-N -1 1 428.488 4.363 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)c1 ZINC000408910850 556887958 /nfs/dbraw/zinc/88/79/58/556887958.db2.gz LTKUAFPQEMTJAC-UHFFFAOYSA-N -1 1 430.913 4.467 40 0 IIABMM CCc1nnc([N-]c2cccc([C@@H]3CCCN(CC(=O)Nc4ccc(F)cc4)C3)n2)s1 ZINC000072375949 556953511 /nfs/dbraw/zinc/95/35/11/556953511.db2.gz SZUWLSXWPLMYRU-OAHLLOKOSA-N -1 1 440.548 4.196 40 0 IIABMM Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc([O-])c(Br)c2)C1=O ZINC000409158042 556977475 /nfs/dbraw/zinc/97/74/75/556977475.db2.gz JYCQDLXBIXGIFK-CXUHLZMHSA-N -1 1 447.310 4.138 40 0 IIABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3[O-])oc2c1 ZINC000010003666 557200257 /nfs/dbraw/zinc/20/02/57/557200257.db2.gz VVWZZTIURNFYPA-UHFFFAOYSA-N -1 1 447.472 4.364 40 0 IIABMM COc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000108670401 557340917 /nfs/dbraw/zinc/34/09/17/557340917.db2.gz HSRKXZIXIDLXOO-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)c1 ZINC000014398397 557436324 /nfs/dbraw/zinc/43/63/24/557436324.db2.gz SIXOURROPCFIKJ-MRXNPFEDSA-N -1 1 428.485 4.341 40 0 IIABMM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)n2)cc1 ZINC000223635800 557494688 /nfs/dbraw/zinc/49/46/88/557494688.db2.gz UQMOJTDEPGMBDV-UHFFFAOYSA-N -1 1 442.324 4.062 40 0 IIABMM Cc1ccccc1CSCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223919923 557529028 /nfs/dbraw/zinc/52/90/28/557529028.db2.gz QWBAUPUXQYOCAQ-UHFFFAOYSA-N -1 1 440.590 4.459 40 0 IIABMM CCOc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223922802 557529549 /nfs/dbraw/zinc/52/95/49/557529549.db2.gz GZHBZXVTMGFUMC-UHFFFAOYSA-N -1 1 438.549 4.249 40 0 IIABMM COc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000223944104 557532188 /nfs/dbraw/zinc/53/21/88/557532188.db2.gz FFWWZOVLYSCACG-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCCOc2ccccc2Cl)c1 ZINC000223945925 557532459 /nfs/dbraw/zinc/53/24/59/557532459.db2.gz LNWXOBYFUXRBBW-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)COc3ccccc3C)c2)cc1 ZINC000223958624 557534589 /nfs/dbraw/zinc/53/45/89/557534589.db2.gz ZNFWZZBCQZWHBQ-IBGZPJMESA-N -1 1 438.549 4.302 40 0 IIABMM COc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC000223967224 557535933 /nfs/dbraw/zinc/53/59/33/557535933.db2.gz QOSFTPVJSPQTTL-OAHLLOKOSA-N -1 1 428.485 4.126 40 0 IIABMM Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000223969101 557536125 /nfs/dbraw/zinc/53/61/25/557536125.db2.gz OXHCFSNRFAKIAH-QGZVFWFLSA-N -1 1 442.512 4.132 40 0 IIABMM CCOc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223977304 557537812 /nfs/dbraw/zinc/53/78/12/557537812.db2.gz WRPONUYGTZUXQS-UHFFFAOYSA-N -1 1 444.940 4.470 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)cc2)cc1 ZINC000223982882 557538958 /nfs/dbraw/zinc/53/89/58/557538958.db2.gz HDYYJFWDDWKEBQ-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)cc1OC ZINC000223990810 557540629 /nfs/dbraw/zinc/54/06/29/557540629.db2.gz UZARPYHBLHCQKR-UHFFFAOYSA-N -1 1 448.447 4.035 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(C)c3)cc2)cc1 ZINC000223997169 557541511 /nfs/dbraw/zinc/54/15/11/557541511.db2.gz CPOIASYSSXNJHP-UHFFFAOYSA-N -1 1 426.563 4.448 40 0 IIABMM COc1ccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224034734 557548861 /nfs/dbraw/zinc/54/88/61/557548861.db2.gz CNHOZVSTLFCZCK-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)c3ccccc3)c2)cc1 ZINC000224072434 557555508 /nfs/dbraw/zinc/55/55/08/557555508.db2.gz QSBYTBRXSMPQQB-UHFFFAOYSA-N -1 1 430.913 4.426 40 0 IIABMM CCc1ccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000224079265 557557128 /nfs/dbraw/zinc/55/71/28/557557128.db2.gz SKDVCFANSXEGSR-UHFFFAOYSA-N -1 1 438.549 4.167 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccccc3C)cc2C)cc1 ZINC000224091153 557559587 /nfs/dbraw/zinc/55/95/87/557559587.db2.gz XQSAUTQBPHOVIR-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2)c1 ZINC000224544498 557619592 /nfs/dbraw/zinc/61/95/92/557619592.db2.gz SZDLRPVGEQWZBP-HNNXBMFYSA-N -1 1 444.484 4.041 40 0 IIABMM CC(C)n1c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc2sc1=O ZINC000224897293 557664273 /nfs/dbraw/zinc/66/42/73/557664273.db2.gz PXZHNGROMNHMKQ-UHFFFAOYSA-N -1 1 432.445 4.343 40 0 IIABMM CCCSc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)s1 ZINC000225770490 557775377 /nfs/dbraw/zinc/77/53/77/557775377.db2.gz PEYSIGMGCGMPHF-UHFFFAOYSA-N -1 1 434.568 4.093 40 0 IIABMM CCc1nnc([N-]c2cccc([C@H]3CN(Cc4ccc5ncccc5c4)CCO3)n2)s1 ZINC000257248840 568687800 /nfs/dbraw/zinc/68/78/00/568687800.db2.gz JFLHKULWUIAYNC-HXUWFJFHSA-N -1 1 432.553 4.361 40 0 IIABMM Cc1cc(C(=O)NCCSc2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314570 569222509 /nfs/dbraw/zinc/22/25/09/569222509.db2.gz HDWROCFEQJBLEM-UHFFFAOYSA-N -1 1 426.563 4.318 40 0 IIABMM COC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000033764488 569246604 /nfs/dbraw/zinc/24/66/04/569246604.db2.gz HCQAZCSRWZUTAV-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)NC2=S)cc1 ZINC000107797212 569251195 /nfs/dbraw/zinc/25/11/95/569251195.db2.gz IEIGKHZHUSSHHU-CPNJWEJPSA-N -1 1 446.484 4.039 40 0 IIABMM CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018091268 569284727 /nfs/dbraw/zinc/28/47/27/569284727.db2.gz DEFJWDXEEOVJRK-SGNDLWITSA-N -1 1 441.487 4.005 40 0 IIABMM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)ccc1N1CCCC1=O ZINC000022513417 525247700 /nfs/dbraw/zinc/24/77/00/525247700.db2.gz AUZMNYIAWCTVGO-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408532343 555741456 /nfs/dbraw/zinc/74/14/56/555741456.db2.gz OCBGNBAPDVCFIF-ZDUSSCGKSA-N -1 1 445.368 4.478 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)c1 ZINC000408590645 555946354 /nfs/dbraw/zinc/94/63/54/555946354.db2.gz KFNGCIFMWASCIV-UHFFFAOYSA-N -1 1 440.521 4.130 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)c1 ZINC000408591973 555952517 /nfs/dbraw/zinc/95/25/17/555952517.db2.gz MSSKBVINNMWIJH-UHFFFAOYSA-N -1 1 440.521 4.130 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)c1 ZINC000408593162 555954864 /nfs/dbraw/zinc/95/48/64/555954864.db2.gz PFZRALOUYNSWCN-UHFFFAOYSA-N -1 1 440.521 4.130 40 0 IIABMM CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408598191 555956551 /nfs/dbraw/zinc/95/65/51/555956551.db2.gz XTPBCWINCDAJEF-CYBMUJFWSA-N -1 1 445.368 4.334 40 0 IIABMM CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408596606 555964121 /nfs/dbraw/zinc/96/41/21/555964121.db2.gz WZXXTQHVKKNYAG-LBPRGKRZSA-N -1 1 431.341 4.086 40 0 IIABMM CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000408695770 556098030 /nfs/dbraw/zinc/09/80/30/556098030.db2.gz YWOZBXMKWRBERJ-HXUWFJFHSA-N -1 1 440.521 4.292 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3SC)cc2)cc1 ZINC000010019895 556322811 /nfs/dbraw/zinc/32/28/11/556322811.db2.gz ONZWSAKKPASSPJ-UHFFFAOYSA-N -1 1 428.535 4.470 40 0 IIABMM CCOc1ccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000015380006 556523651 /nfs/dbraw/zinc/52/36/51/556523651.db2.gz JULMNEMPTPWLOC-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)ccc1OC ZINC000013679407 556556136 /nfs/dbraw/zinc/55/61/36/556556136.db2.gz WQXUWUFLOFKLGD-UHFFFAOYSA-N -1 1 442.562 4.148 40 0 IIABMM COc1c(Br)cc(Br)cc1CNCc1ccc(C(=O)[O-])cc1 ZINC000016194491 556589594 /nfs/dbraw/zinc/58/95/94/556589594.db2.gz CUDMAKYCKGGMQQ-UHFFFAOYSA-N -1 1 429.108 4.208 40 0 IIABMM CCc1ccc(-n2c(C)nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c3c2=S)cc1 ZINC000040386895 556636173 /nfs/dbraw/zinc/63/61/73/556636173.db2.gz IIWDJUKAZNDXBS-UHFFFAOYSA-N -1 1 429.549 4.272 40 0 IIABMM O=C([O-])c1cc2[nH]c(-c3ccc(I)cc3)nc2c(Br)c1 ZINC000226344581 556684848 /nfs/dbraw/zinc/68/48/48/556684848.db2.gz JLEXGUPQMDWYHD-UHFFFAOYSA-N -1 1 443.038 4.295 40 0 IIABMM O=C(Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[n-]1)CCCC2)c1cc2ccccc2o1 ZINC000012010493 556681025 /nfs/dbraw/zinc/68/10/25/556681025.db2.gz MPGYLQSDWHJCBX-UHFFFAOYSA-N -1 1 441.447 4.093 40 0 IIABMM O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(Cl)c2)C1=O)Nc1ccc(F)c(F)c1F ZINC000409360817 557086842 /nfs/dbraw/zinc/08/68/42/557086842.db2.gz OSKTZTIGPWKTKH-AWNIVKPZSA-N -1 1 442.802 4.138 40 0 IIABMM COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102732393 557131745 /nfs/dbraw/zinc/13/17/45/557131745.db2.gz QCAPIHXQUSPMAK-TZRRMPRUSA-N -1 1 444.487 4.063 40 0 IIABMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1OC ZINC000216367700 557144567 /nfs/dbraw/zinc/14/45/67/557144567.db2.gz FWFVRTONSXXGSO-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000010112252 557204774 /nfs/dbraw/zinc/20/47/74/557204774.db2.gz QGKSCNPRRXODQI-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000010112222 557204854 /nfs/dbraw/zinc/20/48/54/557204854.db2.gz XCYSVGPFWYJXDQ-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM COc1ccc(OC)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000010314680 557215811 /nfs/dbraw/zinc/21/58/11/557215811.db2.gz FNEWPMGPAKIVJP-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCN(C)c3ccccc3)c2)cc1 ZINC000027144763 557257827 /nfs/dbraw/zinc/25/78/27/557257827.db2.gz CGHHKVGATIITNR-UHFFFAOYSA-N -1 1 437.565 4.052 40 0 IIABMM O=C([O-])c1ccccc1[C@H]1c2c(O)n(-c3cccc(Cl)c3)c(O)c2ON1c1ccccc1 ZINC000013811333 557394302 /nfs/dbraw/zinc/39/43/02/557394302.db2.gz ZDTSWYWUPWCDBR-PCCBWWKXSA-N -1 1 448.862 4.089 40 0 IIABMM COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000014401366 557443058 /nfs/dbraw/zinc/44/30/58/557443058.db2.gz VEECOHQFCGTMGQ-KRWDZBQOSA-N -1 1 440.521 4.210 40 0 IIABMM O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)ccc21 ZINC000223264399 557452606 /nfs/dbraw/zinc/45/26/06/557452606.db2.gz CZWSHPABKMSNRH-UHFFFAOYSA-N -1 1 430.888 4.483 40 0 IIABMM CN(C)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1 ZINC000223307304 557457529 /nfs/dbraw/zinc/45/75/29/557457529.db2.gz PGUPHUWBYRKYJD-UHFFFAOYSA-N -1 1 442.562 4.106 40 0 IIABMM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)ccc21 ZINC000223384431 557465595 /nfs/dbraw/zinc/46/55/95/557465595.db2.gz ZMIVWWNKSGCWQG-UHFFFAOYSA-N -1 1 444.862 4.459 40 0 IIABMM COC[C@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000223425814 557471103 /nfs/dbraw/zinc/47/11/03/557471103.db2.gz KOCGJXGYKJZZGP-AWEZNQCLSA-N -1 1 440.949 4.153 40 0 IIABMM Cc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)ccc1N1CCCC1=O ZINC000223928272 557529975 /nfs/dbraw/zinc/52/99/75/557529975.db2.gz RNPGLHFINGRWAI-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ccccc2C)ccc1C ZINC000223940610 557531637 /nfs/dbraw/zinc/53/16/37/557531637.db2.gz SEJQABFHSIHUDQ-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)COc3ccccc3C)c2)cc1 ZINC000223958675 557534632 /nfs/dbraw/zinc/53/46/32/557534632.db2.gz ZNFWZZBCQZWHBQ-LJQANCHMSA-N -1 1 438.549 4.302 40 0 IIABMM CCOc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000223977028 557537790 /nfs/dbraw/zinc/53/77/90/557537790.db2.gz VKODCDWDFQPHBH-UHFFFAOYSA-N -1 1 444.940 4.470 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccc(C)cc3)cc2C)cc1 ZINC000224015355 557544953 /nfs/dbraw/zinc/54/49/53/557544953.db2.gz PKIWENOKXHQHCN-UHFFFAOYSA-N -1 1 438.549 4.385 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccccc3)c(Cl)c2)cc1 ZINC000224021691 557546177 /nfs/dbraw/zinc/54/61/77/557546177.db2.gz YVOHSADVAUVATP-UHFFFAOYSA-N -1 1 444.940 4.122 40 0 IIABMM Cc1ccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224034985 557549135 /nfs/dbraw/zinc/54/91/35/557549135.db2.gz VXEQNJUACWDWLO-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSc3ccccc3)c2)cc1 ZINC000224038474 557549586 /nfs/dbraw/zinc/54/95/86/557549586.db2.gz DTGDAFGUOSVXOL-UHFFFAOYSA-N -1 1 442.562 4.018 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(C)ccc3OC)c2)cc1 ZINC000224039659 557549840 /nfs/dbraw/zinc/54/98/40/557549840.db2.gz AVNDBZGBBFRTJL-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM Cc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)c(C)c1 ZINC000224089682 557559371 /nfs/dbraw/zinc/55/93/71/557559371.db2.gz QZNNIXOSCRMTFZ-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3cccc(C)c3)cc2C)cc1 ZINC000224090991 557559550 /nfs/dbraw/zinc/55/95/50/557559550.db2.gz URCRTGMAOBETRE-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(F)c3)c(Cl)c2)cc1 ZINC000224094237 557560032 /nfs/dbraw/zinc/56/00/32/557560032.db2.gz XBCAJDNOILGYHV-UHFFFAOYSA-N -1 1 448.903 4.219 40 0 IIABMM CC(C)Sc1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000224316793 557590521 /nfs/dbraw/zinc/59/05/21/557590521.db2.gz UAGSBINIHUNAKF-UHFFFAOYSA-N -1 1 434.568 4.092 40 0 IIABMM Cc1cccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000224402366 557602304 /nfs/dbraw/zinc/60/23/04/557602304.db2.gz KZBGHWNFEHMPNY-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM O=C(NCCOc1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000224403284 557602348 /nfs/dbraw/zinc/60/23/48/557602348.db2.gz WJQCBZAMFAJDHU-UHFFFAOYSA-N -1 1 448.903 4.089 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)c1 ZINC000224522455 557616197 /nfs/dbraw/zinc/61/61/97/557616197.db2.gz JPGWUBVKNXGKAN-UHFFFAOYSA-N -1 1 446.912 4.167 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)ccc3C)cc2)c1 ZINC000224551988 557621642 /nfs/dbraw/zinc/62/16/42/557621642.db2.gz SPHDJOMGZLJSRA-UHFFFAOYSA-N -1 1 440.521 4.130 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C)cc2)c1 ZINC000224558771 557623242 /nfs/dbraw/zinc/62/32/42/557623242.db2.gz HERRHZOTNAHZNX-QGZVFWFLSA-N -1 1 440.521 4.210 40 0 IIABMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028207034 557647311 /nfs/dbraw/zinc/64/73/11/557647311.db2.gz MEOBOYFLECPLPR-MRXNPFEDSA-N -1 1 449.532 4.037 40 0 IIABMM CC(C)CSc1nnc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)s1 ZINC000225057956 557683868 /nfs/dbraw/zinc/68/38/68/557683868.db2.gz KHIOJIQGEVMYPX-UHFFFAOYSA-N -1 1 448.595 4.339 40 0 IIABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC)cc1 ZINC000225730861 557770013 /nfs/dbraw/zinc/77/00/13/557770013.db2.gz BGTBFRXYKNTCBV-UHFFFAOYSA-N -1 1 448.566 4.231 40 0 IIABMM COc1ccccc1-c1ccccc1CN1CCCC[C@@H]1c1[n-]ncc1S(C)(=O)=O ZINC000257296573 568709785 /nfs/dbraw/zinc/70/97/85/568709785.db2.gz RDJKEOWEXDRSOR-HXUWFJFHSA-N -1 1 425.554 4.216 40 0 IIABMM COc1ccccc1-c1ccccc1CN1CCCC[C@@H]1c1n[n-]cc1S(C)(=O)=O ZINC000257296573 568709787 /nfs/dbraw/zinc/70/97/87/568709787.db2.gz RDJKEOWEXDRSOR-HXUWFJFHSA-N -1 1 425.554 4.216 40 0 IIABMM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000018069282 569284715 /nfs/dbraw/zinc/28/47/15/569284715.db2.gz ADWLDFXLYJEDMV-SGNDLWITSA-N -1 1 444.487 4.063 40 0 IIABMM COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)CCCC(=O)[O-])C=C3C)[nH]c2c1 ZINC000072321015 291383636 /nfs/dbraw/zinc/38/36/36/291383636.db2.gz GQQXQVKWQKDPAQ-BJLQDIEVSA-N -1 1 441.572 4.340 40 0 biogenic,in-vitro IIABMM CC(=O)Nc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000020453843 519725938 /nfs/dbraw/zinc/72/59/38/519725938.db2.gz LWGMVJMAXJCNPO-UHFFFAOYSA-N -1 1 443.912 4.352 40 0 IIABMM CC(=O)Nc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000022516287 519726040 /nfs/dbraw/zinc/72/60/40/519726040.db2.gz DJCFDRUYWAARHV-UHFFFAOYSA-N -1 1 443.912 4.352 40 0 IIABMM CCOc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000020452411 521357218 /nfs/dbraw/zinc/35/72/18/521357218.db2.gz PRVQNTXCHJGYKW-UHFFFAOYSA-N -1 1 438.549 4.433 40 0 IIABMM COC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000022527262 522281302 /nfs/dbraw/zinc/28/13/02/522281302.db2.gz WQRKVPCLLFFBBS-UHFFFAOYSA-N -1 1 444.896 4.180 40 0 IIABMM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408532342 555741424 /nfs/dbraw/zinc/74/14/24/555741424.db2.gz OCBGNBAPDVCFIF-CYBMUJFWSA-N -1 1 445.368 4.478 40 0 IIABMM CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408596554 555963797 /nfs/dbraw/zinc/96/37/97/555963797.db2.gz WRVOBVOSOQBJSA-UHFFFAOYSA-N -1 1 444.940 4.178 40 0 IIABMM Cc1ccc([C@@H](CCC(=O)[O-])N2CCN(C(=O)c3ccccc3Br)CC2)cc1 ZINC000408606528 555967088 /nfs/dbraw/zinc/96/70/88/555967088.db2.gz IJRSICREUIMDGC-HXUWFJFHSA-N -1 1 445.357 4.121 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(=O)N1CCCCC1 ZINC000408636915 556019848 /nfs/dbraw/zinc/01/98/48/556019848.db2.gz WBNLTYQLFQQUNF-UHFFFAOYSA-N -1 1 426.460 4.441 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1C(=O)N1CCCCCC1 ZINC000408693046 556092749 /nfs/dbraw/zinc/09/27/49/556092749.db2.gz CTGPLNLZYLYUBO-UHFFFAOYSA-N -1 1 436.961 4.474 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1C(=O)N1CCCCC1 ZINC000408693358 556098797 /nfs/dbraw/zinc/09/87/97/556098797.db2.gz PVCUQCMIOYNMGE-UHFFFAOYSA-N -1 1 443.352 4.429 40 0 IIABMM COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000015438828 556527867 /nfs/dbraw/zinc/52/78/67/556527867.db2.gz YMCQWJZVSDFVNS-UHFFFAOYSA-N -1 1 446.912 4.167 40 0 IIABMM C[C@H](CCc1ccccc1)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000015563957 556535071 /nfs/dbraw/zinc/53/50/71/556535071.db2.gz AHSYDXMGFBCJQB-QGZVFWFLSA-N -1 1 426.513 4.378 40 0 IIABMM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000044900941 556677460 /nfs/dbraw/zinc/67/74/60/556677460.db2.gz ILFGBEPSIWKPLM-UHFFFAOYSA-N -1 1 430.913 4.079 40 0 IIABMM CSc1ccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000017972621 556680606 /nfs/dbraw/zinc/68/06/06/556680606.db2.gz WBWQUMUKRSXTAP-UHFFFAOYSA-N -1 1 426.563 4.482 40 0 IIABMM C=C1N=C(SCc2cccc(C(=O)[O-])c2)N[C@@H](c2ccc(OC)cc2)C1C(=O)OCC ZINC000408866804 556873639 /nfs/dbraw/zinc/87/36/39/556873639.db2.gz JEGKUSKQXOTWEM-FQEVSTJZSA-N -1 1 440.521 4.164 40 0 IIABMM CCc1nnc([N-]c2cccc([C@H]3CCCN3C(=O)COc3ccc(F)cc3F)n2)s1 ZINC000072375522 556951600 /nfs/dbraw/zinc/95/16/00/556951600.db2.gz CVWCYVFSSCPFFA-MRXNPFEDSA-N -1 1 445.495 4.260 40 0 IIABMM CCc1nnc([N-]c2cccc([C@H]3CCCN(CC(=O)Nc4ccc(F)cc4)C3)n2)s1 ZINC000072375950 556953689 /nfs/dbraw/zinc/95/36/89/556953689.db2.gz SZUWLSXWPLMYRU-HNNXBMFYSA-N -1 1 440.548 4.196 40 0 IIABMM COc1ccccc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000020038371 556970891 /nfs/dbraw/zinc/97/08/91/556970891.db2.gz ACGDOWUZTLNOLN-UHFFFAOYSA-N -1 1 438.549 4.385 40 0 IIABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(F)cc3)ccc2C)c1 ZINC000020105343 556982173 /nfs/dbraw/zinc/98/21/73/556982173.db2.gz XGMRYJLMXJZYJR-UHFFFAOYSA-N -1 1 426.513 4.482 40 0 IIABMM CCOc1ccccc1CNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020110755 556985602 /nfs/dbraw/zinc/98/56/02/556985602.db2.gz VJRJQNPVWRSYRB-UHFFFAOYSA-N -1 1 444.940 4.470 40 0 IIABMM CCOc1cc(C(=S)N2CCN(c3ccccc3F)CC2)cc(Br)c1[O-] ZINC000409232116 557023911 /nfs/dbraw/zinc/02/39/11/557023911.db2.gz NDHPTZGTEKIUES-UHFFFAOYSA-N -1 1 439.350 4.190 40 0 IIABMM Cc1cccc(CSCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000409410420 557103569 /nfs/dbraw/zinc/10/35/69/557103569.db2.gz WYOKLVRZPKLNJQ-UHFFFAOYSA-N -1 1 440.590 4.459 40 0 IIABMM COC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)c1 ZINC000010314591 557215822 /nfs/dbraw/zinc/21/58/22/557215822.db2.gz RTWRCOZMDVCASF-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM CC(=O)Nc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000010314990 557216434 /nfs/dbraw/zinc/21/64/34/557216434.db2.gz YLBQQSIKLYJPRT-UHFFFAOYSA-N -1 1 437.521 4.315 40 0 IIABMM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000010315092 557216603 /nfs/dbraw/zinc/21/66/03/557216603.db2.gz RKMIGRDOUZIXPC-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM O=C([O-])c1ccccc1[C@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000102746217 557307063 /nfs/dbraw/zinc/30/70/63/557307063.db2.gz KUSNJMJTTHZZMZ-ACRUOGEOSA-N -1 1 448.862 4.089 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000105938029 557333254 /nfs/dbraw/zinc/33/32/54/557333254.db2.gz QISSXHZFFQGACD-UHFFFAOYSA-N -1 1 430.913 4.467 40 0 IIABMM COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000014154355 557426154 /nfs/dbraw/zinc/42/61/54/557426154.db2.gz FHFSFUGYCGSRID-UHFFFAOYSA-N -1 1 438.549 4.351 40 0 IIABMM COc1ccccc1N1CCN(c2nc(C)c(Cc3cccc4ccccc43)c(=O)[n-]2)CC1 ZINC000014162204 557427703 /nfs/dbraw/zinc/42/77/03/557427703.db2.gz ZNSVCXRJZWQZSD-UHFFFAOYSA-N -1 1 440.547 4.158 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nnc(SC(C)C)s3)cc2)cc1 ZINC000223643448 557495773 /nfs/dbraw/zinc/49/57/73/557495773.db2.gz PAFGHIZQAGMCTK-UHFFFAOYSA-N -1 1 448.595 4.400 40 0 IIABMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000223669620 557499686 /nfs/dbraw/zinc/49/96/86/557499686.db2.gz GQLYVDVFLKZTBQ-UHFFFAOYSA-N -1 1 445.606 4.359 40 0 IIABMM COC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000223937407 557531294 /nfs/dbraw/zinc/53/12/94/557531294.db2.gz STGONNRHOOJDGI-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000223952257 557533442 /nfs/dbraw/zinc/53/34/42/557533442.db2.gz ILRNYWMJSQPSKF-LJQANCHMSA-N -1 1 438.549 4.302 40 0 IIABMM COc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC000223967290 557535947 /nfs/dbraw/zinc/53/59/47/557535947.db2.gz QOSFTPVJSPQTTL-HNNXBMFYSA-N -1 1 428.485 4.126 40 0 IIABMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1N1CCCC1=O ZINC000223970381 557536619 /nfs/dbraw/zinc/53/66/19/557536619.db2.gz DIMOKDJSKJEJND-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM COc1ccc(OC)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000223973483 557537211 /nfs/dbraw/zinc/53/72/11/557537211.db2.gz OXXDMSAMXLBTBM-UHFFFAOYSA-N -1 1 446.912 4.410 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)cc1 ZINC000223985298 557539402 /nfs/dbraw/zinc/53/94/02/557539402.db2.gz KMJPWWXUAVLLLL-QHCPKHFHSA-N -1 1 436.533 4.303 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000223993853 557540925 /nfs/dbraw/zinc/54/09/25/557540925.db2.gz FMWQVLLAAYLELW-UHFFFAOYSA-N -1 1 438.574 4.408 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2C)cc1 ZINC000224014390 557544351 /nfs/dbraw/zinc/54/43/51/557544351.db2.gz QZURNTCAOGDUAK-UHFFFAOYSA-N -1 1 432.448 4.335 40 0 IIABMM C[C@@H](COc1ccccc1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000224016339 557544767 /nfs/dbraw/zinc/54/47/67/557544767.db2.gz DXINTGJFRULFRI-INIZCTEOSA-N -1 1 444.940 4.338 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)CCc3ccccc3)c2)cc1 ZINC000224044389 557550699 /nfs/dbraw/zinc/55/06/99/557550699.db2.gz YLMXMCHVECLCNY-SFHVURJKSA-N -1 1 438.549 4.247 40 0 IIABMM Cc1cc(C)cc(OCCNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000224078425 557556778 /nfs/dbraw/zinc/55/67/78/557556778.db2.gz UQZQFODPZKNFHR-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCOc1ccc(Cl)cc1 ZINC000224078227 557556912 /nfs/dbraw/zinc/55/69/12/557556912.db2.gz MTUVYGRPJOFGMQ-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM Cc1cc(C(=O)NCCOc2ccc(Cl)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224088690 557559065 /nfs/dbraw/zinc/55/90/65/557559065.db2.gz ZHNKUVPROHHCMW-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccccc3)c(Cl)c2)cc1 ZINC000224403721 557602591 /nfs/dbraw/zinc/60/25/91/557602591.db2.gz HEQMVHMYBXIHEC-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)c1 ZINC000224550821 557621384 /nfs/dbraw/zinc/62/13/84/557621384.db2.gz XSTAUZCTOZHMPZ-UHFFFAOYSA-N -1 1 446.912 4.167 40 0 IIABMM CCCn1c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc2sc1=O ZINC000224897339 557664291 /nfs/dbraw/zinc/66/42/91/557664291.db2.gz BIAAAUNEEMRNLL-UHFFFAOYSA-N -1 1 432.445 4.172 40 0 IIABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 ZINC000225493137 557729618 /nfs/dbraw/zinc/72/96/18/557729618.db2.gz OJBOJFXDQLFHQH-UHFFFAOYSA-N -1 1 436.555 4.125 40 0 IIABMM CCc1nnc([N-]c2cccc([C@@H]3CN(Cc4cccc5ncccc45)CCO3)n2)s1 ZINC000257311556 568715884 /nfs/dbraw/zinc/71/58/84/568715884.db2.gz UKAIRWXAEDIEEY-FQEVSTJZSA-N -1 1 432.553 4.361 40 0 IIABMM CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010334994 569223535 /nfs/dbraw/zinc/22/35/35/569223535.db2.gz CKLQXEMHRBIGJW-UHFFFAOYSA-N -1 1 438.505 4.225 40 0 IIABMM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C)cc1)cc2Sc1nc[nH]n1 ZINC000008871860 569480872 /nfs/dbraw/zinc/48/08/72/569480872.db2.gz LQDQKXGNGZTWMR-UHFFFAOYSA-N -1 1 442.522 4.322 40 0 IIABMM CCOc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000015380063 520961747 /nfs/dbraw/zinc/96/17/47/520961747.db2.gz IMLLKDSRYICSBC-UHFFFAOYSA-N -1 1 438.549 4.467 40 0 IIABMM COC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000020462190 522122279 /nfs/dbraw/zinc/12/22/79/522122279.db2.gz JEOISPXCAZLVQH-UHFFFAOYSA-N -1 1 444.896 4.180 40 0 IIABMM CCN(CC)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408536078 555758672 /nfs/dbraw/zinc/75/86/72/555758672.db2.gz XWCMXBXKWYYRGM-UHFFFAOYSA-N -1 1 431.341 4.041 40 0 IIABMM COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1 ZINC000408542854 555790786 /nfs/dbraw/zinc/79/07/86/555790786.db2.gz AXLVTNQVFAIVQS-UHFFFAOYSA-N -1 1 438.549 4.351 40 0 IIABMM Cc1ccc([N-]S(=O)(=O)c2cccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)c2)cc1 ZINC000408721679 556147584 /nfs/dbraw/zinc/14/75/84/556147584.db2.gz KZNSEWPDVNKSHV-XXBNENTESA-N -1 1 426.538 4.112 40 0 IIABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)cc1Cl ZINC000030854821 556509887 /nfs/dbraw/zinc/50/98/87/556509887.db2.gz YVYBJYSXSZJRAR-UHFFFAOYSA-N -1 1 448.722 4.089 40 0 IIABMM O=C(NCCSCc1ccccc1F)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000013668957 556549460 /nfs/dbraw/zinc/54/94/60/556549460.db2.gz WGVAYAYFOOLGNW-UHFFFAOYSA-N -1 1 444.553 4.290 40 0 IIABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(C(C)C)cc2)CC(=O)N3)cc1 ZINC000040400432 556643310 /nfs/dbraw/zinc/64/33/10/556643310.db2.gz BXZSCMRRYQMXLM-SFHVURJKSA-N -1 1 431.496 4.010 40 0 IIABMM COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000101063835 556653288 /nfs/dbraw/zinc/65/32/88/556653288.db2.gz QCAPIHXQUSPMAK-HJOGWXRNSA-N -1 1 444.487 4.063 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccccc3)c(Cl)c2)cc1 ZINC000044904422 556679622 /nfs/dbraw/zinc/67/96/22/556679622.db2.gz AJATXGHJTRJRLV-UHFFFAOYSA-N -1 1 428.941 4.422 40 0 IIABMM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000096295705 556759733 /nfs/dbraw/zinc/75/97/33/556759733.db2.gz BFNZJMMKTNKZMB-HJOGWXRNSA-N -1 1 444.487 4.063 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccccc3)cc2)cc1 ZINC000064476967 556824446 /nfs/dbraw/zinc/82/44/46/556824446.db2.gz UCJKQJIXIBMYHX-UHFFFAOYSA-N -1 1 426.563 4.182 40 0 IIABMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000408918699 556891521 /nfs/dbraw/zinc/89/15/21/556891521.db2.gz NWZUOVKDZSBSCA-OQLLNIDSSA-N -1 1 434.267 4.001 40 0 IIABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(I)c1 ZINC000019932019 556949113 /nfs/dbraw/zinc/94/91/13/556949113.db2.gz ZTHYSSCYBYGULR-UHFFFAOYSA-N -1 1 449.335 4.213 40 0 IIABMM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000019937748 556951752 /nfs/dbraw/zinc/95/17/52/556951752.db2.gz UUZUKQODSWFZTQ-UHFFFAOYSA-N -1 1 425.769 4.429 40 0 IIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(F)cc3)ccc2C)c1C ZINC000020111655 556986297 /nfs/dbraw/zinc/98/62/97/556986297.db2.gz TUKIVNNZVKSOES-UHFFFAOYSA-N -1 1 426.513 4.482 40 0 IIABMM CCOc1cc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc(Br)c1[O-] ZINC000409242745 557032626 /nfs/dbraw/zinc/03/26/26/557032626.db2.gz YCUZDXGIZHLHNC-UHFFFAOYSA-N -1 1 439.350 4.190 40 0 IIABMM O=C([O-])c1ccccc1[C@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000102746224 557132337 /nfs/dbraw/zinc/13/23/37/557132337.db2.gz KUSNJMJTTHZZMZ-PCCBWWKXSA-N -1 1 448.862 4.089 40 0 IIABMM CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102757998 557132347 /nfs/dbraw/zinc/13/23/47/557132347.db2.gz BSHNXEWKJQWCMI-TZRRMPRUSA-N -1 1 444.487 4.150 40 0 IIABMM CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102764700 557132700 /nfs/dbraw/zinc/13/27/00/557132700.db2.gz DEFJWDXEEOVJRK-TZRRMPRUSA-N -1 1 441.487 4.005 40 0 IIABMM Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3[O-])nc2c1 ZINC000010003755 557200265 /nfs/dbraw/zinc/20/02/65/557200265.db2.gz UFPVTAJFTLBVEE-UHFFFAOYSA-N -1 1 447.472 4.364 40 0 IIABMM COc1ccc(OC)c(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000010314884 557216104 /nfs/dbraw/zinc/21/61/04/557216104.db2.gz VRLRBEVCDNOAIO-UHFFFAOYSA-N -1 1 440.521 4.374 40 0 IIABMM COC(=O)c1ccccc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010315245 557216488 /nfs/dbraw/zinc/21/64/88/557216488.db2.gz ZOLBNEMGUTZUIH-UHFFFAOYSA-N -1 1 438.505 4.143 40 0 IIABMM COc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)cc1Cl ZINC000026114797 557441971 /nfs/dbraw/zinc/44/19/71/557441971.db2.gz WWIBDIVZAHXIHV-UHFFFAOYSA-N -1 1 440.974 4.107 40 0 IIABMM COc1ccc2nc(Nc3nc(CSc4nc5ccccc5o4)cc(=O)[n-]3)nc(C)c2c1 ZINC000014608246 557448454 /nfs/dbraw/zinc/44/84/54/557448454.db2.gz LNNRHMPAWUJGSF-UHFFFAOYSA-N -1 1 446.492 4.207 40 0 IIABMM COc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)c1 ZINC000026118264 557449289 /nfs/dbraw/zinc/44/92/89/557449289.db2.gz LZIQTDQVRQAEFT-UHFFFAOYSA-N -1 1 434.583 4.090 40 0 IIABMM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1N1CCCC1=O ZINC000223928355 557530066 /nfs/dbraw/zinc/53/00/66/557530066.db2.gz UEDSFTYNQLDWEM-UHFFFAOYSA-N -1 1 449.532 4.175 40 0 IIABMM Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1C ZINC000223939411 557531620 /nfs/dbraw/zinc/53/16/20/557531620.db2.gz RDWKIRIABPALIJ-UHFFFAOYSA-N -1 1 438.549 4.221 40 0 IIABMM Cc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000223966732 557535905 /nfs/dbraw/zinc/53/59/05/557535905.db2.gz WITYVTLBQRDMFG-UHFFFAOYSA-N -1 1 426.513 4.298 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C)cc2)cc1OC ZINC000223988412 557539988 /nfs/dbraw/zinc/53/99/88/557539988.db2.gz WBNHGTILLRNJLE-UHFFFAOYSA-N -1 1 426.494 4.065 40 0 IIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000223992150 557540641 /nfs/dbraw/zinc/54/06/41/557540641.db2.gz KJHMPULUCVQYRI-UHFFFAOYSA-N -1 1 426.563 4.482 40 0 IIABMM Cc1cc(C(=O)NCCCc2ccco2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224008581 557543483 /nfs/dbraw/zinc/54/34/83/557543483.db2.gz QYFPOBLDZIVYST-UHFFFAOYSA-N -1 1 432.929 4.405 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccccc3)c(Cl)c2)cc1 ZINC000224021620 557546138 /nfs/dbraw/zinc/54/61/38/557546138.db2.gz FLUYCLJNROBMJQ-UHFFFAOYSA-N -1 1 444.940 4.422 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000224024756 557546834 /nfs/dbraw/zinc/54/68/34/557546834.db2.gz DANHGWGVHHCLGP-UHFFFAOYSA-N -1 1 448.903 4.219 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3SC)c2)cc1 ZINC000224041992 557550064 /nfs/dbraw/zinc/55/00/64/557550064.db2.gz MNUSQQUPMVVLNO-UHFFFAOYSA-N -1 1 428.535 4.470 40 0 IIABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)CCc3ccccc3)c2)cc1 ZINC000224044438 557550608 /nfs/dbraw/zinc/55/06/08/557550608.db2.gz YLMXMCHVECLCNY-GOSISDBHSA-N -1 1 438.549 4.247 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCOc3ccc(F)cc3)ccc2C)cc1 ZINC000224085936 557558642 /nfs/dbraw/zinc/55/86/42/557558642.db2.gz YWJMSFPKSIZFIQ-UHFFFAOYSA-N -1 1 442.512 4.052 40 0 IIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCOc3ccccc3)c2)cc1 ZINC000224400115 557601987 /nfs/dbraw/zinc/60/19/87/557601987.db2.gz BMQXUIJQDJKXKU-UHFFFAOYSA-N -1 1 444.940 4.258 40 0 IIABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 ZINC000224521401 557616080 /nfs/dbraw/zinc/61/60/80/557616080.db2.gz FDPRFOYKUUQTFQ-UHFFFAOYSA-N -1 1 430.913 4.467 40 0 IIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 ZINC000224570929 557625351 /nfs/dbraw/zinc/62/53/51/557625351.db2.gz MQPPZSVRSGFWCM-UHFFFAOYSA-N -1 1 430.913 4.467 40 0 IIABMM CCCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)s1 ZINC000225577334 557745899 /nfs/dbraw/zinc/74/58/99/557745899.db2.gz HXIHLZBQSINTKU-UHFFFAOYSA-N -1 1 448.595 4.402 40 0 IIABMM Cc1nnc([N-]c2cccc([C@@H]3CN(C(=O)CCc4cccc(Cl)c4)CCO3)n2)s1 ZINC000257250712 568688754 /nfs/dbraw/zinc/68/87/54/568688754.db2.gz JNSKUEGDEQACCK-SFHVURJKSA-N -1 1 443.960 4.171 40 0 IIABMM CCc1nnc([N-]c2cccc([C@H]3CN(Cc4ccc(C)cc4OC)CCO3)n2)s1 ZINC000257264178 568695225 /nfs/dbraw/zinc/69/52/25/568695225.db2.gz LTFUDBKFQUQJEN-LJQANCHMSA-N -1 1 425.558 4.130 40 0 IIABMM O=C(N=c1sccn1Cc1ccc(Cl)cc1Cl)c1cnc2ccccc2c1[O-] ZINC000102807242 568889289 /nfs/dbraw/zinc/88/92/89/568889289.db2.gz SXILBLJACUYLNX-GFMRDNFCSA-N -1 1 430.316 4.487 40 0 IIABMM O=C([O-])c1ccc(COc2ccccc2C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000033551535 569244455 /nfs/dbraw/zinc/24/44/55/569244455.db2.gz GHVNSFSCERKUAP-XDHOZWIPSA-N -1 1 446.415 4.059 40 0 IIABMM O=C([O-])c1cccc(COc2ccccc2C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 ZINC000034687629 569247244 /nfs/dbraw/zinc/24/72/44/569247244.db2.gz JJTOOQJXRCAPEV-XDHOZWIPSA-N -1 1 446.415 4.059 40 0 IIABMM