smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)ccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000000666132 551517484 /nfs/dbraw/zinc/51/74/84/551517484.db2.gz IRBRPLLQTAAMGK-HSZRJFAPSA-N 0 0 534.059 3.351 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000000706694 551531734 /nfs/dbraw/zinc/53/17/34/551531734.db2.gz SZHZTEUGEGBSJR-IYMWYRQMSA-N 0 0 589.464 3.292 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000000706696 551531672 /nfs/dbraw/zinc/53/16/72/551531672.db2.gz SZHZTEUGEGBSJR-VMOHIOPYSA-N 0 0 589.464 3.292 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)cc3Br)c(=O)n2[C@H]1c1ccccc1 ZINC000000707487 551531857 /nfs/dbraw/zinc/53/18/57/551531857.db2.gz QGMMJSSVUMMMDK-RZXXJPOTSA-N 0 0 529.412 3.275 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)cc3Br)c(=O)n2[C@@H]1c1ccccc1 ZINC000000707489 551531852 /nfs/dbraw/zinc/53/18/52/551531852.db2.gz QGMMJSSVUMMMDK-XQJRBFNUSA-N 0 0 529.412 3.275 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000000728738 551539036 /nfs/dbraw/zinc/53/90/36/551539036.db2.gz ACGZEKYINYSUFK-LWUPDDLQSA-N 0 0 520.607 3.431 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000000728740 551539077 /nfs/dbraw/zinc/53/90/77/551539077.db2.gz ACGZEKYINYSUFK-GJFKPFFXSA-N 0 0 520.607 3.431 40 0 KGABRN O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N(Cc2cccs2)Cc2ccc3c(c2)OCO3)cc1 ZINC000000783371 551542427 /nfs/dbraw/zinc/54/24/27/551542427.db2.gz KPWXDBSLPHMTLJ-UHFFFAOYSA-N 0 0 506.627 3.309 40 0 KGABRN O=C(Nc1ccc(I)cc1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000000793008 551542568 /nfs/dbraw/zinc/54/25/68/551542568.db2.gz IQFQQMAEDMGYGH-UHFFFAOYSA-N 0 0 551.200 3.327 40 0 KGABRN CCN(CC)c1ccc2oc(=O)c(C(=O)Nc3ccccc3-c3nnn(CC(=O)NC(C)(C)C)n3)cc2c1 ZINC000000797057 551542916 /nfs/dbraw/zinc/54/29/16/551542916.db2.gz DKWCZXPWTOPKIU-UHFFFAOYSA-N 0 0 517.590 3.460 40 0 KGABRN COc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000797684 551543197 /nfs/dbraw/zinc/54/31/97/551543197.db2.gz SGIMXSCZTWIKEV-UHFFFAOYSA-N 0 0 525.627 3.257 40 0 KGABRN CC(=O)c1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)c1 ZINC000000798832 551543234 /nfs/dbraw/zinc/54/32/34/551543234.db2.gz SQMURFNHQBAKIT-UHFFFAOYSA-N 0 0 511.991 3.069 40 0 KGABRN COc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000000798866 551543250 /nfs/dbraw/zinc/54/32/50/551543250.db2.gz WLVXWJAHOSSYRU-UHFFFAOYSA-N 0 0 517.970 3.014 40 0 KGABRN Cn1c2nc(SCC(=O)Nc3ccccc3C(F)(F)F)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000000798873 551543185 /nfs/dbraw/zinc/54/31/85/551543185.db2.gz OIVOFPWTLNXMCS-UHFFFAOYSA-N 0 0 521.496 3.371 40 0 KGABRN Cc1c(Cl)cccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000000798884 551543180 /nfs/dbraw/zinc/54/31/80/551543180.db2.gz SCBXBQLKZRZKNF-UHFFFAOYSA-N 0 0 501.971 3.314 40 0 KGABRN CCc1cccc(CC)c1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000000798888 551543225 /nfs/dbraw/zinc/54/32/25/551543225.db2.gz UHKHVENLSOGCQR-UHFFFAOYSA-N 0 0 509.607 3.477 40 0 KGABRN O=S(=O)(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000000826748 551544900 /nfs/dbraw/zinc/54/49/00/551544900.db2.gz HQQMCZRZIYCWEW-UHFFFAOYSA-N 0 0 553.511 3.395 40 0 KGABRN Cc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1C ZINC000000835595 551546803 /nfs/dbraw/zinc/54/68/03/551546803.db2.gz QXBDEYFTWYJORH-XMMPIXPASA-N 0 0 513.641 3.006 40 0 KGABRN O=C(Nc1ccc(Cl)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000000835607 551546782 /nfs/dbraw/zinc/54/67/82/551546782.db2.gz PEUQZEIRRAJTGF-JOCHJYFZSA-N 0 0 520.032 3.043 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C3\c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000000852193 551549879 /nfs/dbraw/zinc/54/98/79/551549879.db2.gz GOGSCQZGRREEMW-JBCNATCCSA-N 0 0 507.999 3.188 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C3\c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000000852195 551549794 /nfs/dbraw/zinc/54/97/94/551549794.db2.gz GOGSCQZGRREEMW-MRJHHRETSA-N 0 0 507.999 3.188 40 0 KGABRN COc1ccc(CCNC(=S)N(CCN2CCOCC2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1OC ZINC000000874748 551554335 /nfs/dbraw/zinc/55/43/35/551554335.db2.gz NLEZDRUYOVQASB-UHFFFAOYSA-N 0 0 538.714 3.414 40 0 KGABRN COc1ccc(CCNC(=S)N(CCN2CCOCC2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1OC ZINC000000875525 551554588 /nfs/dbraw/zinc/55/45/88/551554588.db2.gz PKIPLKHYVMPAAV-UHFFFAOYSA-N 0 0 538.714 3.414 40 0 KGABRN COc1ccccc1N1CCN(C(=O)CSc2nnc3c(C)cc4cc5c(cc4n23)OCCO5)CC1 ZINC000000877394 551554782 /nfs/dbraw/zinc/55/47/82/551554782.db2.gz QIZQEVCYQRSHCE-UHFFFAOYSA-N 0 0 505.600 3.412 40 0 KGABRN COc1ccc(CCNC(=S)N(CCN2CCOCC2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000000878511 551555126 /nfs/dbraw/zinc/55/51/26/551555126.db2.gz OGOFBTNHDYKOSY-UHFFFAOYSA-N 0 0 538.714 3.414 40 0 KGABRN COc1ccc(CCNC(=S)N(CCN2CCOCC2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1OC ZINC000000878884 551555185 /nfs/dbraw/zinc/55/51/85/551555185.db2.gz HTBPRBIGEVQEGI-UHFFFAOYSA-N 0 0 538.714 3.414 40 0 KGABRN CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000879210 551555518 /nfs/dbraw/zinc/55/55/18/551555518.db2.gz OVRYIMGDYRKHSY-UHFFFAOYSA-N 0 0 529.644 3.252 40 0 KGABRN Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000883768 551556157 /nfs/dbraw/zinc/55/61/57/551556157.db2.gz AORAGBQSSRTANV-UHFFFAOYSA-N 0 0 541.577 3.253 40 0 KGABRN COC(=O)c1ccccc1NC(=S)N(CCN1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000885183 551557081 /nfs/dbraw/zinc/55/70/81/551557081.db2.gz XHLAOCIYJNAYGH-UHFFFAOYSA-N 0 0 508.644 3.463 40 0 KGABRN COC(=O)c1ccccc1NC(=S)N(CCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000885186 551557101 /nfs/dbraw/zinc/55/71/01/551557101.db2.gz GHOVMVFAQHANIV-UHFFFAOYSA-N 0 0 508.644 3.463 40 0 KGABRN COC(=O)c1ccccc1NC(=S)N(CCN1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000885187 551557099 /nfs/dbraw/zinc/55/70/99/551557099.db2.gz OBBJULCVTDZWCD-UHFFFAOYSA-N 0 0 508.644 3.463 40 0 KGABRN COC(=O)c1ccccc1NC(=S)N(CCN1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000885189 551557088 /nfs/dbraw/zinc/55/70/88/551557088.db2.gz GOAYWRXUOMSSSA-UHFFFAOYSA-N 0 0 508.644 3.463 40 0 KGABRN CCOc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)Nc3ccccc3C(=O)OC)cc2c1 ZINC000000885196 551557071 /nfs/dbraw/zinc/55/70/71/551557071.db2.gz XMYRGQCWKCJZMV-UHFFFAOYSA-N 0 0 524.643 3.245 40 0 KGABRN COC(=O)c1ccccc1NC(=S)N(CCCN1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000000885213 551557074 /nfs/dbraw/zinc/55/70/74/551557074.db2.gz XNEFAEJYMSGEJO-UHFFFAOYSA-N 0 0 524.643 3.245 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C)C(=O)NC3CCCC3)n2)cc1OC ZINC000000885940 551558113 /nfs/dbraw/zinc/55/81/13/551558113.db2.gz LBMDCBGSVVJTNZ-KRWDZBQOSA-N 0 0 527.025 3.487 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@H](C)C(=O)NC3CCCC3)n2)cc1OC ZINC000000885942 551558155 /nfs/dbraw/zinc/55/81/55/551558155.db2.gz LBMDCBGSVVJTNZ-QGZVFWFLSA-N 0 0 527.025 3.487 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1 ZINC000000885990 551558532 /nfs/dbraw/zinc/55/85/32/551558532.db2.gz DCEJOARFXMDLOR-RSXGOPAZSA-N 0 0 536.608 3.296 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1 ZINC000000885992 551558514 /nfs/dbraw/zinc/55/85/14/551558514.db2.gz DCEJOARFXMDLOR-AHWVRZQESA-N 0 0 536.608 3.296 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1 ZINC000000885995 551558479 /nfs/dbraw/zinc/55/84/79/551558479.db2.gz DCEJOARFXMDLOR-AOYPEHQESA-N 0 0 536.608 3.296 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1 ZINC000000885997 551558500 /nfs/dbraw/zinc/55/85/00/551558500.db2.gz DCEJOARFXMDLOR-AZGAKELHSA-N 0 0 536.608 3.296 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 ZINC000000886005 551558528 /nfs/dbraw/zinc/55/85/28/551558528.db2.gz PRHNDIIFUQLEKH-QPPBQGQZSA-N 0 0 510.570 3.188 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 ZINC000000886007 551558521 /nfs/dbraw/zinc/55/85/21/551558521.db2.gz PRHNDIIFUQLEKH-URXFXBBRSA-N 0 0 510.570 3.188 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 ZINC000000886014 551558482 /nfs/dbraw/zinc/55/84/82/551558482.db2.gz PRHNDIIFUQLEKH-XUZZJYLKSA-N 0 0 510.570 3.188 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC3CCCC3)c3ccco3)n2)o1 ZINC000000886116 551558655 /nfs/dbraw/zinc/55/86/55/551558655.db2.gz VNJZYPXIURBZSP-VWLOTQADSA-N 0 0 532.557 3.392 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC3CCCC3)c3ccco3)n2)o1 ZINC000000886117 551558685 /nfs/dbraw/zinc/55/86/85/551558685.db2.gz VNJZYPXIURBZSP-RUZDIDTESA-N 0 0 532.557 3.392 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C(=O)NC3CCCC3)c3ccco3)n2)o1 ZINC000000886146 551558689 /nfs/dbraw/zinc/55/86/89/551558689.db2.gz UUJLRDJCUZZKCY-VWLOTQADSA-N 0 0 532.557 3.439 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C(=O)NC3CCCC3)c3ccco3)n2)o1 ZINC000000886148 551558613 /nfs/dbraw/zinc/55/86/13/551558613.db2.gz UUJLRDJCUZZKCY-RUZDIDTESA-N 0 0 532.557 3.439 40 0 KGABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(OC)cc3)n2)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000000886338 551558978 /nfs/dbraw/zinc/55/89/78/551558978.db2.gz UPTIMWCBFMWKOP-IBGZPJMESA-N 0 0 506.607 3.224 40 0 KGABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(OC)cc3)n2)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000000886340 551559001 /nfs/dbraw/zinc/55/90/01/551559001.db2.gz UPTIMWCBFMWKOP-LJQANCHMSA-N 0 0 506.607 3.224 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C)C(=O)NC3CCCCC3)n2)cc1OC ZINC000000886350 551558970 /nfs/dbraw/zinc/55/89/70/551558970.db2.gz KAYANPVKZKOIFF-KRWDZBQOSA-N 0 0 512.636 3.285 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C)C(=O)NC3CCCCC3)n2)cc1OC ZINC000000886353 551558948 /nfs/dbraw/zinc/55/89/48/551558948.db2.gz KAYANPVKZKOIFF-QGZVFWFLSA-N 0 0 512.636 3.285 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)o1 ZINC000000886376 551558967 /nfs/dbraw/zinc/55/89/67/551558967.db2.gz YQWHGGSMMGCCPO-MHZLTWQESA-N 0 0 567.666 3.122 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)o1 ZINC000000886377 551559006 /nfs/dbraw/zinc/55/90/06/551559006.db2.gz YQWHGGSMMGCCPO-HHHXNRCGSA-N 0 0 567.666 3.122 40 0 KGABRN COc1ccc(CNC(=O)CN(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c2ccc(Cl)cc2)cc1 ZINC000000887745 551560375 /nfs/dbraw/zinc/56/03/75/551560375.db2.gz JDPHNNTYMFEQJU-UHFFFAOYSA-N 0 0 508.941 3.491 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC3CCCCC3)c3ccco3)n2)cc1 ZINC000000888276 551561607 /nfs/dbraw/zinc/56/16/07/551561607.db2.gz BTTKDKHOVSKEIR-RDGATRHJSA-N 0 0 522.606 3.140 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC3CCCCC3)c3ccco3)n2)cc1 ZINC000000888278 551561621 /nfs/dbraw/zinc/56/16/21/551561621.db2.gz BTTKDKHOVSKEIR-DHLKQENFSA-N 0 0 522.606 3.140 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC3CCCCC3)c3ccco3)n2)cc1 ZINC000000888281 551561582 /nfs/dbraw/zinc/56/15/82/551561582.db2.gz BTTKDKHOVSKEIR-RCZVLFRGSA-N 0 0 522.606 3.140 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC3CCCCC3)c3ccco3)n2)cc1 ZINC000000888283 551561597 /nfs/dbraw/zinc/56/15/97/551561597.db2.gz BTTKDKHOVSKEIR-WIOPSUGQSA-N 0 0 522.606 3.140 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC3CCCCC3)c3ccc(C)o3)n2)o1 ZINC000000888395 551561733 /nfs/dbraw/zinc/56/17/33/551561733.db2.gz IVGUHSBFUFZPOT-YKSBVNFPSA-N 0 0 510.595 3.341 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC3CCCCC3)c3ccc(C)o3)n2)o1 ZINC000000888399 551561751 /nfs/dbraw/zinc/56/17/51/551561751.db2.gz IVGUHSBFUFZPOT-HYBUGGRVSA-N 0 0 510.595 3.341 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC3CCCCC3)c3ccc(C)o3)n2)o1 ZINC000000888402 551561819 /nfs/dbraw/zinc/56/18/19/551561819.db2.gz IVGUHSBFUFZPOT-GBXCKJPGSA-N 0 0 510.595 3.341 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC3CCCCC3)c3cccs3)n2)o1 ZINC000000888483 551562060 /nfs/dbraw/zinc/56/20/60/551562060.db2.gz QOPOBJFUIBWIFL-VWLOTQADSA-N 0 0 555.705 3.044 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC3CCCCC3)c3cccs3)n2)o1 ZINC000000888485 551562088 /nfs/dbraw/zinc/56/20/88/551562088.db2.gz QOPOBJFUIBWIFL-RUZDIDTESA-N 0 0 555.705 3.044 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)o1 ZINC000000888602 551562397 /nfs/dbraw/zinc/56/23/97/551562397.db2.gz WKASRFZEONSXFD-AMGIVPHBSA-N 0 0 576.585 3.175 40 0 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Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(O)cc3)n2)o1 ZINC000000903819 551566649 /nfs/dbraw/zinc/56/66/49/551566649.db2.gz UFMYSKWOPLGHFD-RCZVLFRGSA-N 0 0 516.558 3.017 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(O)cc3)n2)o1 ZINC000000903826 551566623 /nfs/dbraw/zinc/56/66/23/551566623.db2.gz UFMYSKWOPLGHFD-WIOPSUGQSA-N 0 0 516.558 3.017 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c2cccc(O)c2)o1 ZINC000000903880 551566687 /nfs/dbraw/zinc/56/66/87/551566687.db2.gz INZXXWHGCYEOHR-BVAGGSTKSA-N 0 0 530.585 3.325 40 0 KGABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c2cccc(O)c2)o1 ZINC000000903883 551566680 /nfs/dbraw/zinc/56/66/80/551566680.db2.gz INZXXWHGCYEOHR-ZEQKJWHPSA-N 0 0 530.585 3.325 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c2cccc(O)c2)o1 ZINC000000903886 551566690 /nfs/dbraw/zinc/56/66/90/551566690.db2.gz INZXXWHGCYEOHR-OZXSUGGESA-N 0 0 530.585 3.325 40 0 KGABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c2cccc(O)c2)o1 ZINC000000903889 551566706 /nfs/dbraw/zinc/56/67/06/551566706.db2.gz INZXXWHGCYEOHR-JYFHCDHNSA-N 0 0 530.585 3.325 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@H](C(=O)NC[C@H]3CCCO3)c3cccs3)n2)o1 ZINC000000903919 551566709 /nfs/dbraw/zinc/56/67/09/551566709.db2.gz QIYPOXRFCASUJV-XXBNENTESA-N 0 0 506.588 3.373 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@@H](C(=O)NC[C@H]3CCCO3)c3cccs3)n2)o1 ZINC000000903922 551566703 /nfs/dbraw/zinc/56/67/03/551566703.db2.gz QIYPOXRFCASUJV-AUSIDOKSSA-N 0 0 506.588 3.373 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)o1 ZINC000000903925 551566627 /nfs/dbraw/zinc/56/66/27/551566627.db2.gz QIYPOXRFCASUJV-CVDCTZTESA-N 0 0 506.588 3.373 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)o1 ZINC000000903928 551566678 /nfs/dbraw/zinc/56/66/78/551566678.db2.gz QIYPOXRFCASUJV-WMZHIEFXSA-N 0 0 506.588 3.373 40 0 KGABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)cc1 ZINC000000904010 551566956 /nfs/dbraw/zinc/56/69/56/551566956.db2.gz BGNJQWUZQBRDFB-RSXGOPAZSA-N 0 0 562.030 3.467 40 0 KGABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(c1cnc2ccccc2c1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccncc1 ZINC000000904026 551566945 /nfs/dbraw/zinc/56/69/45/551566945.db2.gz LUHQQEQLSZSWLX-NAKRPHOHSA-N 0 0 566.597 3.492 40 0 KGABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(c1cnc2ccccc2c1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccncc1 ZINC000000904032 551566891 /nfs/dbraw/zinc/56/68/91/551566891.db2.gz LUHQQEQLSZSWLX-LEAFIULHSA-N 0 0 566.597 3.492 40 0 KGABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(c1cnc2ccccc2c1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccncc1 ZINC000000904040 551566985 /nfs/dbraw/zinc/56/69/85/551566985.db2.gz LUHQQEQLSZSWLX-LSYYVWMOSA-N 0 0 566.597 3.492 40 0 KGABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(c1cnc2ccccc2c1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccncc1 ZINC000000904047 551566953 /nfs/dbraw/zinc/56/69/53/551566953.db2.gz LUHQQEQLSZSWLX-LBNVMWSVSA-N 0 0 566.597 3.492 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3cnc4ccccc4c3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccncc3)n2)o1 ZINC000000904053 551566968 /nfs/dbraw/zinc/56/69/68/551566968.db2.gz RPCRZNCBHNIKSF-KCWPFWIISA-N 0 0 552.595 3.254 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3cnc4ccccc4c3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccncc3)n2)o1 ZINC000000904059 551566991 /nfs/dbraw/zinc/56/69/91/551566991.db2.gz RPCRZNCBHNIKSF-YIXXDRMTSA-N 0 0 552.595 3.254 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3cnc4ccccc4c3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccncc3)n2)o1 ZINC000000904068 551566947 /nfs/dbraw/zinc/56/69/47/551566947.db2.gz RPCRZNCBHNIKSF-HOFKKMOUSA-N 0 0 552.595 3.254 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3cnc4ccccc4c3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccncc3)n2)o1 ZINC000000904071 551566916 /nfs/dbraw/zinc/56/69/16/551566916.db2.gz RPCRZNCBHNIKSF-WNCULLNHSA-N 0 0 552.595 3.254 40 0 KGABRN NS(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000000906166 551568411 /nfs/dbraw/zinc/56/84/11/551568411.db2.gz RMGMKQATJLPYDV-MHZLTWQESA-N 0 0 546.653 3.302 40 0 KGABRN NS(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000000906167 551568477 /nfs/dbraw/zinc/56/84/77/551568477.db2.gz RMGMKQATJLPYDV-HHHXNRCGSA-N 0 0 546.653 3.302 40 0 KGABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1O ZINC000000906236 551569014 /nfs/dbraw/zinc/56/90/14/551569014.db2.gz KRGIRPFKOXDZDD-ZBLYBZFDSA-N 0 0 521.618 3.343 40 0 KGABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1O ZINC000000906237 551568995 /nfs/dbraw/zinc/56/89/95/551568995.db2.gz KRGIRPFKOXDZDD-JIPXPUAJSA-N 0 0 521.618 3.343 40 0 KGABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1O ZINC000000906238 551569019 /nfs/dbraw/zinc/56/90/19/551569019.db2.gz KRGIRPFKOXDZDD-IDISGSTGSA-N 0 0 521.618 3.343 40 0 KGABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1O ZINC000000906239 551568943 /nfs/dbraw/zinc/56/89/43/551568943.db2.gz KRGIRPFKOXDZDD-KDYSTLNUSA-N 0 0 521.618 3.343 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000000911264 551570574 /nfs/dbraw/zinc/57/05/74/551570574.db2.gz OADHIXRXNCJKQV-DLBLZJNESA-N 0 0 506.580 3.122 40 0 KGABRN COc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCCc4ccccc43)c(=O)[nH]c2cc1OC ZINC000000912508 551570513 /nfs/dbraw/zinc/57/05/13/551570513.db2.gz HRBVAHLODVEBFA-KBMIEXCESA-N 0 0 502.575 3.253 40 0 KGABRN COc1ccc(Cn2nnnc2[C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)N2CCc3ccccc32)cc1 ZINC000000913184 551570448 /nfs/dbraw/zinc/57/04/48/551570448.db2.gz VNWGPURGFCCDHB-SANMLTNESA-N 0 0 508.538 3.452 40 0 KGABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)N2CCc3ccccc32)cc1 ZINC000000913442 551570743 /nfs/dbraw/zinc/57/07/43/551570743.db2.gz ROWDKFMKTQIIHY-HHHXNRCGSA-N 0 0 522.565 3.495 40 0 KGABRN COc1ccc(Cn2nnnc2[C@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)N2CCc3ccccc32)cc1 ZINC000000913443 551570702 /nfs/dbraw/zinc/57/07/02/551570702.db2.gz ROWDKFMKTQIIHY-MHZLTWQESA-N 0 0 522.565 3.495 40 0 KGABRN CCOC(=O)c1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 ZINC000000915140 551571781 /nfs/dbraw/zinc/57/17/81/551571781.db2.gz HGXMOJSMGLTOEJ-UHFFFAOYSA-N 0 0 507.568 3.500 40 0 KGABRN COC(=O)c1ccccc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000000917041 551571865 /nfs/dbraw/zinc/57/18/65/551571865.db2.gz SZUSSBBXYAKBOP-UHFFFAOYSA-N 0 0 536.562 3.443 40 0 KGABRN COC(=O)c1cccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3ccc(OC)cc3[nH]c2=O)c1 ZINC000000917043 551571901 /nfs/dbraw/zinc/57/19/01/551571901.db2.gz XJPTVOJTUDHYNN-UHFFFAOYSA-N 0 0 536.562 3.443 40 0 KGABRN COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 ZINC000000917045 551571886 /nfs/dbraw/zinc/57/18/86/551571886.db2.gz RRDFKJAGDKUYDW-UHFFFAOYSA-N 0 0 536.562 3.443 40 0 KGABRN CCOC(=O)c1ccc(S(=O)(=O)N(Cc2cc3ccc(OC)cc3[nH]c2=O)C[C@H]2CCCO2)cc1 ZINC000000917955 551572156 /nfs/dbraw/zinc/57/21/56/551572156.db2.gz CBHBRUXFKQJOOO-OAQYLSRUSA-N 0 0 500.573 3.083 40 0 KGABRN CCOC(=O)c1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000000918134 551572178 /nfs/dbraw/zinc/57/21/78/551572178.db2.gz QXGBQQCQMOCTHI-UHFFFAOYSA-N 0 0 507.568 3.500 40 0 KGABRN COC(=O)c1ccccc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000000918205 551572452 /nfs/dbraw/zinc/57/24/52/551572452.db2.gz CJOWOOPZDPDYTJ-UHFFFAOYSA-N 0 0 536.562 3.443 40 0 KGABRN COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000000918208 551572369 /nfs/dbraw/zinc/57/23/69/551572369.db2.gz BZDUMCCMWRDQHG-UHFFFAOYSA-N 0 0 536.562 3.443 40 0 KGABRN CCOC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C[C@H]2CCCO2)cc1 ZINC000000918363 551572441 /nfs/dbraw/zinc/57/24/41/551572441.db2.gz LDWVSCUZBRQWPK-OAQYLSRUSA-N 0 0 500.573 3.083 40 0 KGABRN CCOC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C[C@@H]2CCCO2)cc1 ZINC000000918365 551572393 /nfs/dbraw/zinc/57/23/93/551572393.db2.gz LDWVSCUZBRQWPK-NRFANRHFSA-N 0 0 500.573 3.083 40 0 KGABRN CCOC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C[C@H]2CCCO2)c1 ZINC000000918368 551572469 /nfs/dbraw/zinc/57/24/69/551572469.db2.gz RDSVGTKLTXVNSF-OAQYLSRUSA-N 0 0 500.573 3.083 40 0 KGABRN CCOC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C[C@@H]2CCCO2)c1 ZINC000000918371 551572385 /nfs/dbraw/zinc/57/23/85/551572385.db2.gz RDSVGTKLTXVNSF-NRFANRHFSA-N 0 0 500.573 3.083 40 0 KGABRN CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2c1 ZINC000000918619 551572799 /nfs/dbraw/zinc/57/27/99/551572799.db2.gz KDDWJHNPSSLRDD-HXUWFJFHSA-N 0 0 500.573 3.068 40 0 KGABRN CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2c1 ZINC000000918621 551572751 /nfs/dbraw/zinc/57/27/51/551572751.db2.gz KDDWJHNPSSLRDD-FQEVSTJZSA-N 0 0 500.573 3.068 40 0 KGABRN COC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1 ZINC000000918730 551573007 /nfs/dbraw/zinc/57/30/07/551573007.db2.gz YZEMXAJCPZWWAZ-UHFFFAOYSA-N 0 0 512.540 3.316 40 0 KGABRN COc1cc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc4c(c3)OCCO4)c(=O)[nH]c2cc1OC ZINC000000918732 551573038 /nfs/dbraw/zinc/57/30/38/551573038.db2.gz JCIILXDGKVJDSO-UHFFFAOYSA-N 0 0 512.540 3.301 40 0 KGABRN COC(=O)c1ccccc1S(=O)(=O)N(Cc1cccnc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000000918779 551573045 /nfs/dbraw/zinc/57/30/45/551573045.db2.gz FGEYJRUJVVBWMB-UHFFFAOYSA-N 0 0 523.567 3.118 40 0 KGABRN COC(=O)c1cccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)c1 ZINC000000918783 551573040 /nfs/dbraw/zinc/57/30/40/551573040.db2.gz HFXFPBJLWZFAGL-UHFFFAOYSA-N 0 0 523.567 3.118 40 0 KGABRN COC(=O)c1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1 ZINC000000918787 551573059 /nfs/dbraw/zinc/57/30/59/551573059.db2.gz QSUWTFJPIFCRGZ-UHFFFAOYSA-N 0 0 523.567 3.118 40 0 KGABRN COC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C2CCCC2)cc1 ZINC000000918922 551573305 /nfs/dbraw/zinc/57/33/05/551573305.db2.gz JGJVUVNCJBEJAO-UHFFFAOYSA-N 0 0 500.573 3.465 40 0 KGABRN COc1cc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc(C(C)=O)cc3)c(=O)[nH]c2cc1OC ZINC000000918970 551573342 /nfs/dbraw/zinc/57/33/42/551573342.db2.gz SWCFSJACBPVGHD-HXUWFJFHSA-N 0 0 500.573 3.118 40 0 KGABRN COc1cc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(C(C)=O)cc3)c(=O)[nH]c2cc1OC ZINC000000918973 551573329 /nfs/dbraw/zinc/57/33/29/551573329.db2.gz SWCFSJACBPVGHD-FQEVSTJZSA-N 0 0 500.573 3.118 40 0 KGABRN CCOC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C[C@H]2CCCO2)cc1 ZINC000000918975 551573358 /nfs/dbraw/zinc/57/33/58/551573358.db2.gz FNUZRDLXXUBFHT-HXUWFJFHSA-N 0 0 530.599 3.092 40 0 KGABRN CCOC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C[C@@H]2CCCO2)cc1 ZINC000000918976 551573326 /nfs/dbraw/zinc/57/33/26/551573326.db2.gz FNUZRDLXXUBFHT-FQEVSTJZSA-N 0 0 530.599 3.092 40 0 KGABRN COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC)cc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000000919215 551573477 /nfs/dbraw/zinc/57/34/77/551573477.db2.gz ALYPDYMYGCOGGT-UHFFFAOYSA-N 0 0 536.562 3.443 40 0 KGABRN COC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000000919360 551573518 /nfs/dbraw/zinc/57/35/18/551573518.db2.gz RITQISWUBLIUCC-UHFFFAOYSA-N 0 0 520.563 3.477 40 0 KGABRN COC(=O)c1ccccc1S(=O)(=O)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000000919385 551573527 /nfs/dbraw/zinc/57/35/27/551573527.db2.gz WAJHOTRRQDDYQX-UHFFFAOYSA-N 0 0 510.524 3.070 40 0 KGABRN COC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000000919388 551573540 /nfs/dbraw/zinc/57/35/40/551573540.db2.gz BPMSOMPZWJTWAC-UHFFFAOYSA-N 0 0 510.524 3.070 40 0 KGABRN CCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000000919392 551573560 /nfs/dbraw/zinc/57/35/60/551573560.db2.gz JLXOFVRZJRMRNX-UHFFFAOYSA-N 0 0 524.551 3.460 40 0 KGABRN CCOC(=O)c1cccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)c1 ZINC000000919394 551573509 /nfs/dbraw/zinc/57/35/09/551573509.db2.gz HHGFGNKGBPVCBH-UHFFFAOYSA-N 0 0 524.551 3.460 40 0 KGABRN CC(=O)c1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000000919427 551573499 /nfs/dbraw/zinc/57/34/99/551573499.db2.gz XSJFQQYPAHERQQ-UHFFFAOYSA-N 0 0 505.552 3.288 40 0 KGABRN CCOC(=O)c1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000000919444 551573497 /nfs/dbraw/zinc/57/34/97/551573497.db2.gz SUKYMYLWMUFSGX-UHFFFAOYSA-N 0 0 535.578 3.262 40 0 KGABRN CCOC(=O)c1cccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)c1 ZINC000000919448 551573558 /nfs/dbraw/zinc/57/35/58/551573558.db2.gz NCQFXCCWFFPNQH-UHFFFAOYSA-N 0 0 535.578 3.262 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1)OCCO3 ZINC000000919517 551573647 /nfs/dbraw/zinc/57/36/47/551573647.db2.gz DNVVFVFZLHBTHJ-UHFFFAOYSA-N 0 0 506.536 3.419 40 0 KGABRN COC(=O)c1ccccc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000000919526 551573628 /nfs/dbraw/zinc/57/36/28/551573628.db2.gz SCQYYOCPNSUHSR-UHFFFAOYSA-N 0 0 564.572 3.206 40 0 KGABRN COC(=O)c1cccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)c1 ZINC000000919528 551573639 /nfs/dbraw/zinc/57/36/39/551573639.db2.gz ANEHLJZSEHSOHV-UHFFFAOYSA-N 0 0 564.572 3.206 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2CC)cc1 ZINC000000920622 551574295 /nfs/dbraw/zinc/57/42/95/551574295.db2.gz WORWHNFKUQEHGP-UHFFFAOYSA-N 0 0 517.633 3.455 40 0 KGABRN COc1cc([C@@H](C(=O)NC2CCCCC2)N(C[C@H]2CCCO2)C(=O)c2cnccn2)cc(OC)c1OC ZINC000000920812 551574516 /nfs/dbraw/zinc/57/45/16/551574516.db2.gz UVKIKGAXPXEHCY-YKSBVNFPSA-N 0 0 512.607 3.314 40 0 KGABRN COc1cc([C@H](C(=O)NC2CCCCC2)N(C[C@H]2CCCO2)C(=O)c2cnccn2)cc(OC)c1OC ZINC000000920814 551574491 /nfs/dbraw/zinc/57/44/91/551574491.db2.gz UVKIKGAXPXEHCY-HYBUGGRVSA-N 0 0 512.607 3.314 40 0 KGABRN COc1cc([C@@H](C(=O)NC2CCCCC2)N(C[C@@H]2CCCO2)C(=O)c2cnccn2)cc(OC)c1OC ZINC000000920815 551574480 /nfs/dbraw/zinc/57/44/80/551574480.db2.gz UVKIKGAXPXEHCY-RDPSFJRHSA-N 0 0 512.607 3.314 40 0 KGABRN COc1cc([C@H](C(=O)NC2CCCCC2)N(C[C@@H]2CCCO2)C(=O)c2cnccn2)cc(OC)c1OC ZINC000000920817 551574873 /nfs/dbraw/zinc/57/48/73/551574873.db2.gz UVKIKGAXPXEHCY-GBXCKJPGSA-N 0 0 512.607 3.314 40 0 KGABRN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000000921079 551574905 /nfs/dbraw/zinc/57/49/05/551574905.db2.gz GKTUAUBSDKUNCI-UHFFFAOYSA-N 0 0 518.657 3.436 40 0 KGABRN Cc1ccc(-c2nnc(CSc3nnc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)n3C)o2)cc1 ZINC000000922324 551576551 /nfs/dbraw/zinc/57/65/51/551576551.db2.gz GAJAJHBOIVPTKW-UHFFFAOYSA-N 0 0 512.617 3.154 40 0 KGABRN COc1ccc(CCN(C(=O)c2cnccn2)[C@H](C(=O)NC2CCCCC2)c2cn(C)nc2C)cc1OC ZINC000000922481 551576540 /nfs/dbraw/zinc/57/65/40/551576540.db2.gz XNFWCJNCZAZARL-SANMLTNESA-N 0 0 520.634 3.411 40 0 KGABRN COc1ccc(CCN(C(=O)c2cnccn2)[C@@H](C(=O)NC2CCCCC2)c2cn(C)nc2C)cc1OC ZINC000000922483 551576605 /nfs/dbraw/zinc/57/66/05/551576605.db2.gz XNFWCJNCZAZARL-AREMUKBSSA-N 0 0 520.634 3.411 40 0 KGABRN Cc1nn(C)cc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000000922701 551577058 /nfs/dbraw/zinc/57/70/58/551577058.db2.gz RPPOWUCETNSYPK-HHHXNRCGSA-N 0 0 529.601 3.425 40 0 KGABRN Cc1nn(C)cc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000000922706 551577025 /nfs/dbraw/zinc/57/70/25/551577025.db2.gz AGPDDTWMXVGETA-MUUNZHRXSA-N 0 0 543.628 3.468 40 0 KGABRN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000000922833 551577339 /nfs/dbraw/zinc/57/73/39/551577339.db2.gz KAXITLOVCGHPAF-UHFFFAOYSA-N 0 0 529.684 3.417 40 0 KGABRN COc1cccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)CC2)c1 ZINC000000922836 551577294 /nfs/dbraw/zinc/57/72/94/551577294.db2.gz UDMNRBWTERCHNV-UHFFFAOYSA-N 0 0 507.678 3.159 40 0 KGABRN O=S(=O)(c1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)N1CCCCC1 ZINC000000922843 551577300 /nfs/dbraw/zinc/57/73/00/551577300.db2.gz RGKQHCSHLWKGOH-UHFFFAOYSA-N 0 0 517.595 3.391 40 0 KGABRN CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000000922852 551577372 /nfs/dbraw/zinc/57/73/72/551577372.db2.gz AHMSFSIHCGQVJE-UHFFFAOYSA-N 0 0 503.621 3.157 40 0 KGABRN CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000000922881 551577352 /nfs/dbraw/zinc/57/73/52/551577352.db2.gz KDFDGSJLSGVFAT-UHFFFAOYSA-N 0 0 503.621 3.157 40 0 KGABRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CCc2ccc(F)cc2)Cc2ccc3c(c2)OCO3)cc1 ZINC000000923008 551577574 /nfs/dbraw/zinc/57/75/74/551577574.db2.gz ZOZXPRMRIRSCCC-UHFFFAOYSA-N 0 0 520.604 3.238 40 0 KGABRN O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccccc1)NC1CCCCC1 ZINC000000923602 551577909 /nfs/dbraw/zinc/57/79/09/551577909.db2.gz JWLJRUONAXZILK-UHFFFAOYSA-N 0 0 541.699 3.496 40 0 KGABRN COc1cc2cc(CN(C3CCCC3)S(=O)(=O)c3ccc4c(c3)OCCO4)c(=O)[nH]c2cc1OC ZINC000000924897 551578095 /nfs/dbraw/zinc/57/80/95/551578095.db2.gz PUCBSVLVVLUPCA-UHFFFAOYSA-N 0 0 500.573 3.450 40 0 KGABRN COc1cc2cc(CN(Cc3cccnc3)S(=O)(=O)c3ccc4c(c3)OCCO4)c(=O)[nH]c2cc1OC ZINC000000924898 551578027 /nfs/dbraw/zinc/57/80/27/551578027.db2.gz QQPUZELGHYURHR-UHFFFAOYSA-N 0 0 523.567 3.103 40 0 KGABRN Cc1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc32)n1 ZINC000000930527 551581503 /nfs/dbraw/zinc/58/15/03/551581503.db2.gz QOMHRFFEGOBWRK-UHFFFAOYSA-N 0 0 500.584 3.069 40 0 KGABRN CN(C)S(=O)(=O)c1ccc(N(C(=O)c2cnccn2)[C@H](C(=O)NCc2ccccc2)c2cccs2)cc1 ZINC000000931205 551583596 /nfs/dbraw/zinc/58/35/96/551583596.db2.gz BPMFPKYPKUNJOX-DEOSSOPVSA-N 0 0 535.651 3.493 40 0 KGABRN CN(C)S(=O)(=O)c1ccc(N(C(=O)c2cnccn2)[C@@H](C(=O)NCc2ccccc2)c2cccs2)cc1 ZINC000000931206 551583959 /nfs/dbraw/zinc/58/39/59/551583959.db2.gz BPMFPKYPKUNJOX-XMMPIXPASA-N 0 0 535.651 3.493 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000000931265 551583986 /nfs/dbraw/zinc/58/39/86/551583986.db2.gz WCBSKTSGCRQAAX-UHFFFAOYSA-N 0 0 505.584 3.247 40 0 KGABRN COc1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)c(OC)c1 ZINC000000931269 551583950 /nfs/dbraw/zinc/58/39/50/551583950.db2.gz KQNBMUYCHNURCK-UHFFFAOYSA-N 0 0 517.633 3.015 40 0 KGABRN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)c1 ZINC000000931270 551583964 /nfs/dbraw/zinc/58/39/64/551583964.db2.gz LLAXYLFSFHZQIZ-UHFFFAOYSA-N 0 0 517.633 3.015 40 0 KGABRN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C ZINC000000931272 551583980 /nfs/dbraw/zinc/58/39/80/551583980.db2.gz KXFNOUBYWXRSHN-UHFFFAOYSA-N 0 0 501.634 3.396 40 0 KGABRN COc1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)cc1OC ZINC000000931273 551583981 /nfs/dbraw/zinc/58/39/81/551583981.db2.gz PMFDSXBERXCGIA-UHFFFAOYSA-N 0 0 517.633 3.015 40 0 KGABRN COc1cc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)cc(OC)c1 ZINC000000931274 551583952 /nfs/dbraw/zinc/58/39/52/551583952.db2.gz FFDRIVLCHHOBAH-UHFFFAOYSA-N 0 0 517.633 3.015 40 0 KGABRN Cn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000931306 551583978 /nfs/dbraw/zinc/58/39/78/551583978.db2.gz JOQWGWVERUDIIG-UHFFFAOYSA-N 0 0 500.602 3.013 40 0 KGABRN COc1ccc(CCNC(=S)N(CCN2CCOCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000000931903 551584659 /nfs/dbraw/zinc/58/46/59/551584659.db2.gz UWMCXJFDEGLUHL-UHFFFAOYSA-N 0 0 538.714 3.414 40 0 KGABRN CCOc1ccc(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000000933219 551585519 /nfs/dbraw/zinc/58/55/19/551585519.db2.gz JRJDLYWLKLLNFB-UHFFFAOYSA-N 0 0 532.640 3.455 40 0 KGABRN COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1OC ZINC000000933223 551585513 /nfs/dbraw/zinc/58/55/13/551585513.db2.gz PLEYRTSCSGAMIU-UHFFFAOYSA-N 0 0 504.630 3.345 40 0 KGABRN COc1ccc(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1OC ZINC000000933227 551585512 /nfs/dbraw/zinc/58/55/12/551585512.db2.gz OTRVSKCIWOUVHL-UHFFFAOYSA-N 0 0 548.639 3.074 40 0 KGABRN CCOc1ccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000000933260 551585500 /nfs/dbraw/zinc/58/55/00/551585500.db2.gz XUHLRSZMLLGYEX-JOCHJYFZSA-N 0 0 510.678 3.486 40 0 KGABRN CCOc1ccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000000933262 551585503 /nfs/dbraw/zinc/58/55/03/551585503.db2.gz XUHLRSZMLLGYEX-QFIPXVFZSA-N 0 0 510.678 3.486 40 0 KGABRN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)C[C@H]2CCCO2)cc1 ZINC000000933705 551586005 /nfs/dbraw/zinc/58/60/05/551586005.db2.gz SBHATDSBXZVISK-FCHUYYIVSA-N 0 0 507.678 3.405 40 0 KGABRN Cc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000000933743 551586116 /nfs/dbraw/zinc/58/61/16/551586116.db2.gz WWVJHSSQNGYCCT-OAQYLSRUSA-N 0 0 504.630 3.436 40 0 KGABRN Cc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000000933744 551586100 /nfs/dbraw/zinc/58/61/00/551586100.db2.gz WWVJHSSQNGYCCT-NRFANRHFSA-N 0 0 504.630 3.436 40 0 KGABRN O=S(=O)(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccccc2Cl)C[C@H]2CCCO2)cc1 ZINC000000933757 551586114 /nfs/dbraw/zinc/58/61/14/551586114.db2.gz OSIFQYGWJHSZFK-WOJBJXKFSA-N 0 0 529.080 3.167 40 0 KGABRN O=S(=O)(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccccn2)cc1 ZINC000000933777 551586453 /nfs/dbraw/zinc/58/64/53/551586453.db2.gz SCDZEAXPKFBHIV-JOCHJYFZSA-N 0 0 519.620 3.069 40 0 KGABRN O=S(=O)(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccccn2)cc1 ZINC000000933779 551586426 /nfs/dbraw/zinc/58/64/26/551586426.db2.gz SCDZEAXPKFBHIV-QFIPXVFZSA-N 0 0 519.620 3.069 40 0 KGABRN COc1ccc(CCN(Cc2ccccc2)S(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)cc1OC ZINC000000934076 551586671 /nfs/dbraw/zinc/58/66/71/551586671.db2.gz KQGLKICIZQQMNR-UHFFFAOYSA-N 0 0 509.588 3.122 40 0 KGABRN COc1cc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)Cc2ccccc2Cl)ccc1-n1cnnn1 ZINC000000934147 551586612 /nfs/dbraw/zinc/58/66/12/551586612.db2.gz LUEAGKZNFFLFSK-UHFFFAOYSA-N 0 0 513.963 3.444 40 0 KGABRN COc1cc(S(=O)(=O)N(Cc2ccco2)Cc2ccc(Br)cc2)ccc1-n1cnnn1 ZINC000000934177 551586695 /nfs/dbraw/zinc/58/66/95/551586695.db2.gz AYDYMMSGGXONPD-UHFFFAOYSA-N 0 0 504.366 3.418 40 0 KGABRN COc1cccc(CN(CCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c1 ZINC000000934185 551586588 /nfs/dbraw/zinc/58/65/88/551586588.db2.gz DVOZNYKBAIDRFI-UHFFFAOYSA-N 0 0 523.615 3.430 40 0 KGABRN CCOc1ccccc1CN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1 ZINC000000934222 551586663 /nfs/dbraw/zinc/58/66/63/551586663.db2.gz BDCDZJSUNFUKKU-UHFFFAOYSA-N 0 0 509.588 3.469 40 0 KGABRN COc1ccc(CCN(Cc2cccs2)S(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)cc1OC ZINC000000934278 551586649 /nfs/dbraw/zinc/58/66/49/551586649.db2.gz AYOFFOZNXNLQIO-UHFFFAOYSA-N 0 0 515.617 3.183 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(F)F)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000001080122 551605569 /nfs/dbraw/zinc/60/55/69/551605569.db2.gz HJHVOPCXFWTPTG-FNGUVFISSA-N 0 0 500.523 3.408 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(F)F)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000001080124 551605537 /nfs/dbraw/zinc/60/55/37/551605537.db2.gz HJHVOPCXFWTPTG-CNSVBDKNSA-N 0 0 500.523 3.408 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RLYNTNHWIYYLPN-JFHPUIQFSA-N 0 0 592.696 3.464 40 0 KGABRN NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000005706807 552507216 /nfs/dbraw/zinc/50/72/16/552507216.db2.gz RLYNTNHWIYYLPN-RWSKJCERSA-N 0 0 592.696 3.464 40 0 KGABRN NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000005706808 552507192 /nfs/dbraw/zinc/50/71/92/552507192.db2.gz RLYNTNHWIYYLPN-MJSOWUPRSA-N 0 0 592.696 3.464 40 0 KGABRN CCOC(=O)CNC(=O)[C@@H](CSCc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C ZINC000005707234 552507271 /nfs/dbraw/zinc/50/72/71/552507271.db2.gz JQCSDVAJWWQABJ-ISKFKSNPSA-N 0 0 529.659 3.035 40 0 KGABRN CCOC(=O)CNC(=O)[C@H](CSCc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C ZINC000005707235 552507449 /nfs/dbraw/zinc/50/74/49/552507449.db2.gz JQCSDVAJWWQABJ-LADGPHEKSA-N 0 0 529.659 3.035 40 0 KGABRN CCOC(=O)CNC(=O)[C@@H](CSCc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C ZINC000005707236 552507446 /nfs/dbraw/zinc/50/74/46/552507446.db2.gz JQCSDVAJWWQABJ-VWNXMTODSA-N 0 0 529.659 3.035 40 0 KGABRN CCOC(=O)CNC(=O)[C@H](CSCc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C ZINC000005707237 552507326 /nfs/dbraw/zinc/50/73/26/552507326.db2.gz JQCSDVAJWWQABJ-UPVQGACJSA-N 0 0 529.659 3.035 40 0 KGABRN CC(C)[C@H]1NC(=O)C2=CN(Cc3ccccc3)C=C[C@H]2NC(=O)[C@@H](C(C)C)NC(=O)C2=CN(Cc3ccccc3)C=C[C@H]2NC1=O ZINC000005759309 552508890 /nfs/dbraw/zinc/50/88/90/552508890.db2.gz ODMJLQYBBMHSFP-SEVDZJIVSA-N 0 0 622.770 3.078 40 0 KGABRN CC(C)[C@H]1NC(=O)C2=CN(Cc3ccccc3)C=C[C@H]2NC(=O)[C@H](C(C)C)NC(=O)C2=CN(Cc3ccccc3)C=C[C@H]2NC1=O ZINC000005759311 552508860 /nfs/dbraw/zinc/50/88/60/552508860.db2.gz ODMJLQYBBMHSFP-ANLCFORVSA-N 0 0 622.770 3.078 40 0 KGABRN CC(C)[C@H]1NC(=O)C2=CN(Cc3ccccc3)C=C[C@@H]2NC(=O)[C@@H](C(C)C)NC(=O)C2=CN(Cc3ccccc3)C=C[C@H]2NC1=O ZINC000005759313 552508882 /nfs/dbraw/zinc/50/88/82/552508882.db2.gz ODMJLQYBBMHSFP-VWPRMMSESA-N 0 0 622.770 3.078 40 0 KGABRN CC(C)[C@H]1NC(=O)C2=CN(Cc3ccccc3)C=C[C@@H]2NC(=O)[C@H](C(C)C)NC(=O)C2=CN(Cc3ccccc3)C=C[C@H]2NC1=O ZINC000005759315 552508884 /nfs/dbraw/zinc/50/88/84/552508884.db2.gz ODMJLQYBBMHSFP-HRDPQUPSSA-N 0 0 622.770 3.078 40 0 KGABRN CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005767863 552509324 /nfs/dbraw/zinc/50/93/24/552509324.db2.gz HKBCLKRVQCJQGZ-OXBZHWKQSA-N 0 0 616.763 3.393 40 0 KGABRN CC[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005767866 552509312 /nfs/dbraw/zinc/50/93/12/552509312.db2.gz HKBCLKRVQCJQGZ-KEPDVDLCSA-N 0 0 616.763 3.393 40 0 KGABRN CC[C@@H](C)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005767872 552509353 /nfs/dbraw/zinc/50/93/53/552509353.db2.gz HKBCLKRVQCJQGZ-DGFGWOKJSA-N 0 0 616.763 3.393 40 0 KGABRN CC[C@H](C)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005767875 552509315 /nfs/dbraw/zinc/50/93/15/552509315.db2.gz HKBCLKRVQCJQGZ-QIZNCXBGSA-N 0 0 616.763 3.393 40 0 KGABRN COC(=O)C1=Cc2cc(OC)c(OC)c(OC)c2[C@H](c2cc(OC)c(OC)c(OC)c2)[C@H]1C(=O)OC ZINC000005809495 552509709 /nfs/dbraw/zinc/50/97/09/552509709.db2.gz IMZGATWONIEBEF-FPOVZHCZSA-N 0 0 502.516 3.229 40 0 KGABRN COC(=O)C1=Cc2c(OC)cc(OC)c(OC)c2[C@H](c2cc(OC)c(OC)cc2OC)[C@H]1C(=O)OC ZINC000005809587 552509865 /nfs/dbraw/zinc/50/98/65/552509865.db2.gz YHZOHVLWMUBGAD-GMAHTHKFSA-N 0 0 502.516 3.229 40 0 KGABRN COC(=O)c1cc(C(O)(c2cc(C)c(O)c(C(=O)OC)c2)c2cc(C)c(O)c(C(=O)OC)c2)cc(C)c1O ZINC000005812057 552510177 /nfs/dbraw/zinc/51/01/77/552510177.db2.gz LEGFHWJIOOBTLG-UHFFFAOYSA-N 0 0 524.522 3.373 40 0 KGABRN CCC(=O)C(C)=c1[nH]c2nnc(CCCCCCCc3nnc4[nH]c(=C(C)C(=O)CC)c(=O)n34)n2c1=O ZINC000005813537 552510181 /nfs/dbraw/zinc/51/01/81/552510181.db2.gz HLKSIASKKJKQGY-GJZGRUSLSA-N 0 0 508.583 3.288 40 0 KGABRN CCC(=O)C(C)=c1[nH]c2nnc(CCCCCCCc3nnc4[nH]c(=C(C)C(=O)CC)c(=O)n34)n2c1=O ZINC000005813538 552510110 /nfs/dbraw/zinc/51/01/10/552510110.db2.gz HLKSIASKKJKQGY-HUUCEWRRSA-N 0 0 508.583 3.288 40 0 KGABRN COC1(OC)C[C@@H]2C(=O)N(Cc3ccccc3)[C@H]1[C@@H](S(=O)(=O)c1ccccc1)[C@H]2S(=O)(=O)c1ccccc1 ZINC000005886248 552511030 /nfs/dbraw/zinc/51/10/30/552511030.db2.gz MAUOGJCYMNQDCN-CQJMVLFOSA-N 0 0 555.674 3.091 40 0 KGABRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005956976 552517526 /nfs/dbraw/zinc/51/75/26/552517526.db2.gz XAFZYZVDMDRGIM-JWQCQUIFSA-N 0 0 518.566 3.173 40 0 KGABRN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005956978 552517500 /nfs/dbraw/zinc/51/75/00/552517500.db2.gz XAFZYZVDMDRGIM-RPBOFIJWSA-N 0 0 518.566 3.173 40 0 KGABRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005956985 552517551 /nfs/dbraw/zinc/51/75/51/552517551.db2.gz XAFZYZVDMDRGIM-LOSJGSFVSA-N 0 0 518.566 3.173 40 0 KGABRN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005956988 552517548 /nfs/dbraw/zinc/51/75/48/552517548.db2.gz XAFZYZVDMDRGIM-DQEYMECFSA-N 0 0 518.566 3.173 40 0 KGABRN COC(=O)[C@H](Cc1ccccc1OC)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000005957510 552517482 /nfs/dbraw/zinc/51/74/82/552517482.db2.gz PRWHJDRMQTTXFH-RPBOFIJWSA-N 0 0 548.592 3.324 40 0 KGABRN COC(=O)[C@@H](Cc1ccccc1OC)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000005957511 552517541 /nfs/dbraw/zinc/51/75/41/552517541.db2.gz PRWHJDRMQTTXFH-JWQCQUIFSA-N 0 0 548.592 3.324 40 0 KGABRN COC(=O)[C@H](Cc1ccccc1OC)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000005957512 552517494 /nfs/dbraw/zinc/51/74/94/552517494.db2.gz PRWHJDRMQTTXFH-DQEYMECFSA-N 0 0 548.592 3.324 40 0 KGABRN COC(=O)[C@@H](Cc1ccccc1OC)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000005957514 552517504 /nfs/dbraw/zinc/51/75/04/552517504.db2.gz PRWHJDRMQTTXFH-LOSJGSFVSA-N 0 0 548.592 3.324 40 0 KGABRN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](COCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000005957695 552517455 /nfs/dbraw/zinc/51/74/55/552517455.db2.gz ZGJOKKROJVVMTJ-JWQCQUIFSA-N 0 0 506.555 3.104 40 0 KGABRN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](COCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000005957697 552517533 /nfs/dbraw/zinc/51/75/33/552517533.db2.gz ZGJOKKROJVVMTJ-LOSJGSFVSA-N 0 0 506.555 3.104 40 0 KGABRN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000005957699 552517425 /nfs/dbraw/zinc/51/74/25/552517425.db2.gz ZGJOKKROJVVMTJ-RPBOFIJWSA-N 0 0 506.555 3.104 40 0 KGABRN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000005957702 552517537 /nfs/dbraw/zinc/51/75/37/552517537.db2.gz ZGJOKKROJVVMTJ-DQEYMECFSA-N 0 0 506.555 3.104 40 0 KGABRN COc1cc([C@@H]2c3cc4c(cc3O[C@H](NNS(=O)(=O)c3ccc(C)cc3)[C@@H]2C)OCO4)cc(OC)c1O ZINC000006004108 552518111 /nfs/dbraw/zinc/51/81/11/552518111.db2.gz JFEUSPHZFSYOGP-JGJBJIOOSA-N 0 0 528.583 3.416 40 0 KGABRN COc1cc([C@@H]2c3cc4c(cc3O[C@@H](NNS(=O)(=O)c3ccc(C)cc3)[C@@H]2C)OCO4)cc(OC)c1O ZINC000006004112 552518124 /nfs/dbraw/zinc/51/81/24/552518124.db2.gz JFEUSPHZFSYOGP-BZBXLLDXSA-N 0 0 528.583 3.416 40 0 KGABRN COc1cc([C@@H]2c3cc4c(cc3O[C@H](NNS(=O)(=O)c3ccc(C)cc3)[C@H]2C)OCO4)cc(OC)c1O ZINC000006004115 552518129 /nfs/dbraw/zinc/51/81/29/552518129.db2.gz JFEUSPHZFSYOGP-IAVPUSHASA-N 0 0 528.583 3.416 40 0 KGABRN COc1cc([C@@H]2c3cc4c(cc3O[C@@H](NNS(=O)(=O)c3ccc(C)cc3)[C@H]2C)OCO4)cc(OC)c1O ZINC000006004119 552518085 /nfs/dbraw/zinc/51/80/85/552518085.db2.gz JFEUSPHZFSYOGP-IHPXXTKKSA-N 0 0 528.583 3.416 40 0 KGABRN CC(=O)c1cccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)c1 ZINC000006014846 552518880 /nfs/dbraw/zinc/51/88/80/552518880.db2.gz DPOSEAQIAPMWEU-UHFFFAOYSA-N 0 0 505.552 3.288 40 0 KGABRN CC(C)c1nnc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc32)s1 ZINC000006015193 552519572 /nfs/dbraw/zinc/51/95/72/552519572.db2.gz RZUNIGVDWXLWBV-UHFFFAOYSA-N 0 0 535.655 3.341 40 0 KGABRN CC(=O)Nc1ccc(NC[C@H](O)COc2ccc(OC[C@@H](O)CNc3ccc(NC(C)=O)cc3)cc2)cc1 ZINC000006073798 552521708 /nfs/dbraw/zinc/52/17/08/552521708.db2.gz HJPKSWSLWQPCFQ-UIOOFZCWSA-N 0 0 522.602 3.307 40 0 KGABRN CC(=O)Nc1ccc(NC[C@@H](O)COc2ccc(OC[C@H](O)CNc3ccc(NC(C)=O)cc3)cc2)cc1 ZINC000006073799 552521724 /nfs/dbraw/zinc/52/17/24/552521724.db2.gz HJPKSWSLWQPCFQ-CLJLJLNGSA-N 0 0 522.602 3.307 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC(C)(C)C)c3ccc(F)c(Cl)c3)n2)cc1OC ZINC000006074318 552522442 /nfs/dbraw/zinc/52/24/42/552522442.db2.gz NBFOLNQCCQCPEW-UHFFFAOYSA-N 0 0 504.950 3.098 40 0 KGABRN CC(C)(C)NC(=O)CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 ZINC000006074342 552522448 /nfs/dbraw/zinc/52/24/48/552522448.db2.gz BDAYCUAIDBCQJJ-PGUFJCEWSA-N 0 0 515.529 3.480 40 0 KGABRN CC(C)(C)NC(=O)CN(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 ZINC000006074343 552522513 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Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c12 ZINC000006444097 552586548 /nfs/dbraw/zinc/58/65/48/552586548.db2.gz UXURWWFAKZVBOH-RUZDIDTESA-N 0 0 527.560 3.151 40 0 KGABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3cccc(C)c3[nH]c2=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000006444117 552586763 /nfs/dbraw/zinc/58/67/63/552586763.db2.gz VEPLJDHGZSYVFC-AREMUKBSSA-N 0 0 539.596 3.020 40 0 KGABRN Cc1ccccc1CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NCCCN1CCOCC1 ZINC000006444183 552586712 /nfs/dbraw/zinc/58/67/12/552586712.db2.gz SPXVBOBTXYDXRF-UHFFFAOYSA-N 0 0 536.698 3.249 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc3ncccc3c2)c1N ZINC000006444596 552587110 /nfs/dbraw/zinc/58/71/10/552587110.db2.gz DNJWLNURNRCFLN-CVDCTZTESA-N 0 0 548.600 3.195 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc3ncccc3c2)c1N ZINC000006444599 552587082 /nfs/dbraw/zinc/58/70/82/552587082.db2.gz DNJWLNURNRCFLN-XXBNENTESA-N 0 0 548.600 3.195 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc3ncccc3c2)c1N ZINC000006444610 552587106 /nfs/dbraw/zinc/58/71/06/552587106.db2.gz DNJWLNURNRCFLN-WMZHIEFXSA-N 0 0 548.600 3.195 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc3ncccc3c2)c1N ZINC000006444612 552587099 /nfs/dbraw/zinc/58/70/99/552587099.db2.gz DNJWLNURNRCFLN-AUSIDOKSSA-N 0 0 548.600 3.195 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccco1)Cc1cccnc1)OCO3 ZINC000006445109 552587455 /nfs/dbraw/zinc/58/74/55/552587455.db2.gz JDRTWJOYRSVTFD-LVXARBLLSA-N 0 0 541.568 3.202 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccco1)Cc1cccnc1)OCO3 ZINC000006445119 552587491 /nfs/dbraw/zinc/58/74/91/552587491.db2.gz JDRTWJOYRSVTFD-HFZDXXHNSA-N 0 0 541.568 3.202 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2cccnc2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1N ZINC000006445122 552587458 /nfs/dbraw/zinc/58/74/58/552587458.db2.gz NTEUANKIJGCZPO-NRFANRHFSA-N 0 0 510.595 3.191 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2cccnc2)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)c1N ZINC000006445124 552587471 /nfs/dbraw/zinc/58/74/71/552587471.db2.gz JJSRMHWNWDOZBJ-QFIPXVFZSA-N 0 0 536.564 3.198 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2cccnc2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1N ZINC000006445131 552587477 /nfs/dbraw/zinc/58/74/77/552587477.db2.gz NTEUANKIJGCZPO-OAQYLSRUSA-N 0 0 510.595 3.191 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2cccnc2)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)c1N ZINC000006445133 552587668 /nfs/dbraw/zinc/58/76/68/552587668.db2.gz JJSRMHWNWDOZBJ-JOCHJYFZSA-N 0 0 536.564 3.198 40 0 KGABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(Cc1cccs1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccncc1 ZINC000006445320 552587677 /nfs/dbraw/zinc/58/76/77/552587677.db2.gz VNTFUDWMLJNOSX-URXFXBBRSA-N 0 0 535.605 3.001 40 0 KGABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(Cc1cccs1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccncc1 ZINC000006445322 552587683 /nfs/dbraw/zinc/58/76/83/552587683.db2.gz VNTFUDWMLJNOSX-QPPBQGQZSA-N 0 0 535.605 3.001 40 0 KGABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(Cc1cccs1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccncc1 ZINC000006445326 552587645 /nfs/dbraw/zinc/58/76/45/552587645.db2.gz VNTFUDWMLJNOSX-XUZZJYLKSA-N 0 0 535.605 3.001 40 0 KGABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(Cc1cccs1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccncc1 ZINC000006445328 552587659 /nfs/dbraw/zinc/58/76/59/552587659.db2.gz VNTFUDWMLJNOSX-ZJSXRUAMSA-N 0 0 535.605 3.001 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccnc1)S(=O)(=O)c1cccc2nsnc21)OCCO3 ZINC000006445345 552587682 /nfs/dbraw/zinc/58/76/82/552587682.db2.gz CLXJTHBWBVXWEO-UHFFFAOYSA-N 0 0 521.580 3.090 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2cccnc2)[C@H](C(=O)NC2CCCC2)c2ccc3ncccc3c2)c1N ZINC000006445441 552587933 /nfs/dbraw/zinc/58/79/33/552587933.db2.gz IRJKYSDMIJSXSH-QHCPKHFHSA-N 0 0 529.626 3.210 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc3ncccc3c2)c1N ZINC000006445443 552587845 /nfs/dbraw/zinc/58/78/45/552587845.db2.gz NYXSFBAJYRKAJL-QFIPXVFZSA-N 0 0 518.599 3.408 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc3ncccc3c2)c1N ZINC000006445450 552587946 /nfs/dbraw/zinc/58/79/46/552587946.db2.gz ZCKMEZICBFZNSS-RDPSFJRHSA-N 0 0 562.627 3.190 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc3ncccc3c2)c1N ZINC000006445453 552587912 /nfs/dbraw/zinc/58/79/12/552587912.db2.gz QHMZHYKUJZGGCY-CVDCTZTESA-N 0 0 548.600 3.195 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc3ncccc3c2)c1N ZINC000006445455 552587869 /nfs/dbraw/zinc/58/78/69/552587869.db2.gz ZCKMEZICBFZNSS-YKSBVNFPSA-N 0 0 562.627 3.190 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc3ncccc3c2)c1N ZINC000006445457 552587905 /nfs/dbraw/zinc/58/79/05/552587905.db2.gz QHMZHYKUJZGGCY-XXBNENTESA-N 0 0 548.600 3.195 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2cccnc2)[C@@H](C(=O)NC2CCCC2)c2ccc3ncccc3c2)c1N ZINC000006445465 552587915 /nfs/dbraw/zinc/58/79/15/552587915.db2.gz IRJKYSDMIJSXSH-HSZRJFAPSA-N 0 0 529.626 3.210 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc3ncccc3c2)c1N ZINC000006445466 552587861 /nfs/dbraw/zinc/58/78/61/552587861.db2.gz NYXSFBAJYRKAJL-JOCHJYFZSA-N 0 0 518.599 3.408 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc3ncccc3c2)c1N ZINC000006445473 552588011 /nfs/dbraw/zinc/58/80/11/552588011.db2.gz ZCKMEZICBFZNSS-GBXCKJPGSA-N 0 0 562.627 3.190 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC=C(c2ccc(F)cc2)CC1)OCO3 ZINC000006445474 552588038 /nfs/dbraw/zinc/58/80/38/552588038.db2.gz ZYUKLDRANUVCFG-LVXARBLLSA-N 0 0 530.560 3.440 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc3ncccc3c2)c1N ZINC000006445476 552588056 /nfs/dbraw/zinc/58/80/56/552588056.db2.gz QHMZHYKUJZGGCY-WMZHIEFXSA-N 0 0 548.600 3.195 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc3ncccc3c2)c1N ZINC000006445478 552588067 /nfs/dbraw/zinc/58/80/67/552588067.db2.gz ZCKMEZICBFZNSS-HYBUGGRVSA-N 0 0 562.627 3.190 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CC=C(c2ccc(F)cc2)CC1)OCO3 ZINC000006445479 552588058 /nfs/dbraw/zinc/58/80/58/552588058.db2.gz ZYUKLDRANUVCFG-HFZDXXHNSA-N 0 0 530.560 3.440 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc3ncccc3c2)c1N ZINC000006445480 552588034 /nfs/dbraw/zinc/58/80/34/552588034.db2.gz QHMZHYKUJZGGCY-AUSIDOKSSA-N 0 0 548.600 3.195 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2Cl)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1N ZINC000006445523 552587992 /nfs/dbraw/zinc/58/79/92/552587992.db2.gz OFLJEBPUTATRIC-FQEVSTJZSA-N 0 0 513.023 3.315 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2Cl)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c1N ZINC000006445529 552588044 /nfs/dbraw/zinc/58/80/44/552588044.db2.gz OFLJEBPUTATRIC-HXUWFJFHSA-N 0 0 513.023 3.315 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccccc2F)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc3ncccc3c2)c1N ZINC000006445555 552588000 /nfs/dbraw/zinc/58/80/00/552588000.db2.gz GBLAVKUIJYHQCN-SBUREZEXSA-N 0 0 548.600 3.195 40 0 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NC(=O)c1nsc(C(=O)N(Cc2ccccc2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc3ncccc3c2)c1N ZINC000006446190 552588640 /nfs/dbraw/zinc/58/86/40/552588640.db2.gz RRDCEVKOQCWMNO-HYBUGGRVSA-N 0 0 544.637 3.051 40 0 KGABRN O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccccc1)NCc1ccccc1 ZINC000006446214 552588641 /nfs/dbraw/zinc/58/86/41/552588641.db2.gz PHCCQDZKMMBCLG-UHFFFAOYSA-N 0 0 549.678 3.364 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2cccnc2)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1N ZINC000006446217 552588633 /nfs/dbraw/zinc/58/86/33/552588633.db2.gz QFWIYUYJLRVDOB-JOCHJYFZSA-N 0 0 518.574 3.058 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2cccnc2)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1N ZINC000006446250 552588887 /nfs/dbraw/zinc/58/88/87/552588887.db2.gz QFWIYUYJLRVDOB-QFIPXVFZSA-N 0 0 518.574 3.058 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1)OCO3 ZINC000006446378 552589057 /nfs/dbraw/zinc/58/90/57/552589057.db2.gz WBQWKBUEOAANKC-HHHXNRCGSA-N 0 0 539.571 3.342 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2F)CC1)OCO3 ZINC000006446385 552589084 /nfs/dbraw/zinc/58/90/84/552589084.db2.gz DVFKBIOWVZINDO-HHHXNRCGSA-N 0 0 539.571 3.342 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCC(Cc2ccccc2)CC1)OCO3 ZINC000006446390 552589124 /nfs/dbraw/zinc/58/91/24/552589124.db2.gz MTZPTCWMPALSRV-CUNXSJBXSA-N 0 0 528.613 3.466 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCC(Cc2ccccc2)CC1)OCO3 ZINC000006446391 552589098 /nfs/dbraw/zinc/58/90/98/552589098.db2.gz MTZPTCWMPALSRV-AMGIVPHBSA-N 0 0 528.613 3.466 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1)OCO3 ZINC000006446396 552589121 /nfs/dbraw/zinc/58/91/21/552589121.db2.gz WBQWKBUEOAANKC-MHZLTWQESA-N 0 0 539.571 3.342 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCC(Cc2ccccc2)CC1)OCO3 ZINC000006446397 552589103 /nfs/dbraw/zinc/58/91/03/552589103.db2.gz MTZPTCWMPALSRV-WXVAWEFUSA-N 0 0 528.613 3.466 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCC(Cc2ccccc2)CC1)OCO3 ZINC000006446398 552589132 /nfs/dbraw/zinc/58/91/32/552589132.db2.gz MTZPTCWMPALSRV-AJTFRIOCSA-N 0 0 528.613 3.466 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2F)CC1)OCO3 ZINC000006446407 552589095 /nfs/dbraw/zinc/58/90/95/552589095.db2.gz DVFKBIOWVZINDO-MHZLTWQESA-N 0 0 539.571 3.342 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc3ncccc3c2)c1N ZINC000006446453 552589107 /nfs/dbraw/zinc/58/91/07/552589107.db2.gz CQGZQBOZGUKTKY-CVDCTZTESA-N 0 0 530.610 3.056 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc3ncccc3c2)c1N ZINC000006446455 552589063 /nfs/dbraw/zinc/58/90/63/552589063.db2.gz CQGZQBOZGUKTKY-XXBNENTESA-N 0 0 530.610 3.056 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc3ncccc3c2)c1N ZINC000006446467 552589389 /nfs/dbraw/zinc/58/93/89/552589389.db2.gz CQGZQBOZGUKTKY-WMZHIEFXSA-N 0 0 530.610 3.056 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc3ncccc3c2)c1N ZINC000006446469 552589392 /nfs/dbraw/zinc/58/93/92/552589392.db2.gz CQGZQBOZGUKTKY-AUSIDOKSSA-N 0 0 530.610 3.056 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)OCCO3 ZINC000006446499 552589368 /nfs/dbraw/zinc/58/93/68/552589368.db2.gz XMCCJCGVUYMHJJ-UHFFFAOYSA-N 0 0 520.563 3.462 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccccc2)CC1)OCO3 ZINC000006446577 552589400 /nfs/dbraw/zinc/58/94/00/552589400.db2.gz ZAUSVSBGXYTASR-MHZLTWQESA-N 0 0 539.571 3.342 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccccc2)CC1)OCO3 ZINC000006446585 552589396 /nfs/dbraw/zinc/58/93/96/552589396.db2.gz ZAUSVSBGXYTASR-HHHXNRCGSA-N 0 0 539.571 3.342 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N ZINC000006462011 552590656 /nfs/dbraw/zinc/59/06/56/552590656.db2.gz SKJLQDDXWXWYKI-OAQYLSRUSA-N 0 0 541.605 3.381 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2 ZINC000006462026 552590852 /nfs/dbraw/zinc/59/08/52/552590852.db2.gz IJUDGYNMDGXWHK-OAQYLSRUSA-N 0 0 541.605 3.427 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 ZINC000006462028 552590816 /nfs/dbraw/zinc/59/08/16/552590816.db2.gz PFBSMJOCRIIKMW-HXUWFJFHSA-N 0 0 527.578 3.385 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(CCc1ccccc1)C(=O)c1snc(C(N)=O)c1N ZINC000006462037 552590844 /nfs/dbraw/zinc/59/08/44/552590844.db2.gz SDAXTQRHICDBCC-OAQYLSRUSA-N 0 0 509.632 3.261 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006462039 552590849 /nfs/dbraw/zinc/59/08/49/552590849.db2.gz WNGIETRNSCZTIG-OAQYLSRUSA-N 0 0 525.631 3.227 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(Cc1ccccc1OC)C(=O)c1snc(C(N)=O)c1N ZINC000006462043 552590854 /nfs/dbraw/zinc/59/08/54/552590854.db2.gz ZZCPCCGIKBKNHC-OAQYLSRUSA-N 0 0 525.631 3.227 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N ZINC000006462045 552590825 /nfs/dbraw/zinc/59/08/25/552590825.db2.gz WBTCUMNLSZRMAJ-GOSISDBHSA-N 0 0 501.634 3.280 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 ZINC000006462049 552590833 /nfs/dbraw/zinc/59/08/33/552590833.db2.gz LUEFJNUVCNEOIW-OAQYLSRUSA-N 0 0 541.630 3.240 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 ZINC000006462054 552590859 /nfs/dbraw/zinc/59/08/59/552590859.db2.gz AZMMFOMNHSYUMN-HXUWFJFHSA-N 0 0 511.604 3.231 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC ZINC000006462058 552590828 /nfs/dbraw/zinc/59/08/28/552590828.db2.gz DLYXRDQCDAKANG-OAQYLSRUSA-N 0 0 541.630 3.240 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1 ZINC000006462060 552590826 /nfs/dbraw/zinc/59/08/26/552590826.db2.gz FCYHNWFPJMROAS-HXUWFJFHSA-N 0 0 511.604 3.231 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N ZINC000006462068 552590861 /nfs/dbraw/zinc/59/08/61/552590861.db2.gz QFKPEOKYFPQDPL-JOCHJYFZSA-N 0 0 553.641 3.250 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 ZINC000006462090 552591079 /nfs/dbraw/zinc/59/10/79/552591079.db2.gz KLXIFIVSXVMELZ-OAQYLSRUSA-N 0 0 539.614 3.254 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006462112 552591052 /nfs/dbraw/zinc/59/10/52/552591052.db2.gz GIPIQFYLFKFBGE-HXUWFJFHSA-N 0 0 513.620 3.423 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N ZINC000006462113 552591112 /nfs/dbraw/zinc/59/11/12/552591112.db2.gz LOVDHILVFWJVAL-HXUWFJFHSA-N 0 0 527.603 3.143 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(Cc1cccc(OC)c1)C(=O)c1snc(C(N)=O)c1N ZINC000006462115 552591082 /nfs/dbraw/zinc/59/10/82/552591082.db2.gz KQPQYJUCZBMVOG-HXUWFJFHSA-N 0 0 513.620 3.423 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(Cc1ccccc1OC)C(=O)c1snc(C(N)=O)c1N ZINC000006462119 552591075 /nfs/dbraw/zinc/59/10/75/552591075.db2.gz KGSSXWZBOZIFKU-HXUWFJFHSA-N 0 0 513.620 3.423 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(OC)ccc1OC ZINC000006462126 552591056 /nfs/dbraw/zinc/59/10/56/552591056.db2.gz YEXIDMKMAPFSKB-HXUWFJFHSA-N 0 0 529.619 3.436 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 ZINC000006462128 552591073 /nfs/dbraw/zinc/59/10/73/552591073.db2.gz GHMKEOXIMAMOKP-HXUWFJFHSA-N 0 0 529.619 3.436 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC ZINC000006462135 552591090 /nfs/dbraw/zinc/59/10/90/552591090.db2.gz LNRAQGWCEUSEJQ-HXUWFJFHSA-N 0 0 529.619 3.436 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2 ZINC000006462136 552591069 /nfs/dbraw/zinc/59/10/69/552591069.db2.gz RGQMPIPIZVEOJR-HXUWFJFHSA-N 0 0 527.603 3.190 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 ZINC000006462137 552591108 /nfs/dbraw/zinc/59/11/08/552591108.db2.gz QHOJTDDMEPYNJB-LJQANCHMSA-N 0 0 513.576 3.147 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N ZINC000006462166 552591217 /nfs/dbraw/zinc/59/12/17/552591217.db2.gz SKJLQDDXWXWYKI-NRFANRHFSA-N 0 0 541.605 3.381 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2 ZINC000006462180 552591181 /nfs/dbraw/zinc/59/11/81/552591181.db2.gz IJUDGYNMDGXWHK-NRFANRHFSA-N 0 0 541.605 3.427 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 ZINC000006462181 552591188 /nfs/dbraw/zinc/59/11/88/552591188.db2.gz PFBSMJOCRIIKMW-FQEVSTJZSA-N 0 0 527.578 3.385 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(CCc1ccccc1)C(=O)c1snc(C(N)=O)c1N ZINC000006462189 552591169 /nfs/dbraw/zinc/59/11/69/552591169.db2.gz SDAXTQRHICDBCC-NRFANRHFSA-N 0 0 509.632 3.261 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006462191 552591230 /nfs/dbraw/zinc/59/12/30/552591230.db2.gz WNGIETRNSCZTIG-NRFANRHFSA-N 0 0 525.631 3.227 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(Cc1ccccc1OC)C(=O)c1snc(C(N)=O)c1N ZINC000006462193 552591199 /nfs/dbraw/zinc/59/11/99/552591199.db2.gz ZZCPCCGIKBKNHC-NRFANRHFSA-N 0 0 525.631 3.227 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N ZINC000006462196 552591174 /nfs/dbraw/zinc/59/11/74/552591174.db2.gz WBTCUMNLSZRMAJ-SFHVURJKSA-N 0 0 501.634 3.280 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 ZINC000006462199 552591460 /nfs/dbraw/zinc/59/14/60/552591460.db2.gz LUEFJNUVCNEOIW-NRFANRHFSA-N 0 0 541.630 3.240 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 ZINC000006462204 552591449 /nfs/dbraw/zinc/59/14/49/552591449.db2.gz AZMMFOMNHSYUMN-FQEVSTJZSA-N 0 0 511.604 3.231 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC ZINC000006462206 552591424 /nfs/dbraw/zinc/59/14/24/552591424.db2.gz DLYXRDQCDAKANG-NRFANRHFSA-N 0 0 541.630 3.240 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1 ZINC000006462208 552591470 /nfs/dbraw/zinc/59/14/70/552591470.db2.gz FCYHNWFPJMROAS-FQEVSTJZSA-N 0 0 511.604 3.231 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N ZINC000006462215 552591435 /nfs/dbraw/zinc/59/14/35/552591435.db2.gz QFKPEOKYFPQDPL-QFIPXVFZSA-N 0 0 553.641 3.250 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 ZINC000006462234 552591456 /nfs/dbraw/zinc/59/14/56/552591456.db2.gz KLXIFIVSXVMELZ-NRFANRHFSA-N 0 0 539.614 3.254 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006462257 552591566 /nfs/dbraw/zinc/59/15/66/552591566.db2.gz GIPIQFYLFKFBGE-FQEVSTJZSA-N 0 0 513.620 3.423 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N ZINC000006462259 552591578 /nfs/dbraw/zinc/59/15/78/552591578.db2.gz LOVDHILVFWJVAL-FQEVSTJZSA-N 0 0 527.603 3.143 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(Cc1cccc(OC)c1)C(=O)c1snc(C(N)=O)c1N ZINC000006462260 552591550 /nfs/dbraw/zinc/59/15/50/552591550.db2.gz KQPQYJUCZBMVOG-FQEVSTJZSA-N 0 0 513.620 3.423 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(Cc1ccccc1OC)C(=O)c1snc(C(N)=O)c1N ZINC000006462263 552591629 /nfs/dbraw/zinc/59/16/29/552591629.db2.gz KGSSXWZBOZIFKU-FQEVSTJZSA-N 0 0 513.620 3.423 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(OC)ccc1OC ZINC000006462270 552591583 /nfs/dbraw/zinc/59/15/83/552591583.db2.gz YEXIDMKMAPFSKB-FQEVSTJZSA-N 0 0 529.619 3.436 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 ZINC000006462271 552591596 /nfs/dbraw/zinc/59/15/96/552591596.db2.gz GHMKEOXIMAMOKP-FQEVSTJZSA-N 0 0 529.619 3.436 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC ZINC000006462278 552591568 /nfs/dbraw/zinc/59/15/68/552591568.db2.gz LNRAQGWCEUSEJQ-FQEVSTJZSA-N 0 0 529.619 3.436 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2 ZINC000006462280 552591610 /nfs/dbraw/zinc/59/16/10/552591610.db2.gz RGQMPIPIZVEOJR-FQEVSTJZSA-N 0 0 527.603 3.190 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 ZINC000006462281 552591628 /nfs/dbraw/zinc/59/16/28/552591628.db2.gz QHOJTDDMEPYNJB-IBGZPJMESA-N 0 0 513.576 3.147 40 0 KGABRN CCCCCCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccc(S(N)(=O)=O)cc3)C(C)=O)C2=O)cc1 ZINC000006471991 552591820 /nfs/dbraw/zinc/59/18/20/552591820.db2.gz ZGUGYMYZCNPIKU-XMMPIXPASA-N 0 0 515.632 3.016 40 0 KGABRN CCCCCOc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3cccc(I)c3)CC2)cc1 ZINC000006472275 552591989 /nfs/dbraw/zinc/59/19/89/552591989.db2.gz PJIVKAXZFGZWDH-UHFFFAOYSA-N 0 0 592.478 3.373 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2cccnc2)[C@H](C(=O)NC2CCCC2)c2c[nH]c3ccccc32)c1N ZINC000006475110 552593255 /nfs/dbraw/zinc/59/32/55/552593255.db2.gz PSHPPFHYODHJCS-QFIPXVFZSA-N 0 0 517.615 3.143 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2cccnc2)[C@@H](C(=O)NC2CCCC2)c2c[nH]c3ccccc32)c1N ZINC000006475113 552593294 /nfs/dbraw/zinc/59/32/94/552593294.db2.gz PSHPPFHYODHJCS-JOCHJYFZSA-N 0 0 517.615 3.143 40 0 KGABRN O=C(CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cnc2ccccc2c1)NC1CCCCC1 ZINC000006475214 552593307 /nfs/dbraw/zinc/59/33/07/552593307.db2.gz NHFYAJYEFSTKOV-LDLOPFEMSA-N 0 0 550.637 3.133 40 0 KGABRN O=C(CN(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cnc2ccccc2c1)NC1CCCCC1 ZINC000006475215 552593249 /nfs/dbraw/zinc/59/32/49/552593249.db2.gz NHFYAJYEFSTKOV-KDXMTYKHSA-N 0 0 550.637 3.133 40 0 KGABRN CCCC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 ZINC000006481292 552593949 /nfs/dbraw/zinc/59/39/49/552593949.db2.gz BALXEPSTNOKTHA-FQEVSTJZSA-N 0 0 512.611 3.453 40 0 KGABRN CCCC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 ZINC000006481339 552593982 /nfs/dbraw/zinc/59/39/82/552593982.db2.gz LQMPSQNKJGCZMP-INIZCTEOSA-N 0 0 503.625 3.106 40 0 KGABRN CCCC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC ZINC000006481358 552594000 /nfs/dbraw/zinc/59/40/00/552594000.db2.gz IPECDJFLAVEICU-KRWDZBQOSA-N 0 0 503.625 3.106 40 0 KGABRN CCCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 ZINC000006481457 552594152 /nfs/dbraw/zinc/59/41/52/552594152.db2.gz BALXEPSTNOKTHA-HXUWFJFHSA-N 0 0 512.611 3.453 40 0 KGABRN CCCC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 ZINC000006481500 552594094 /nfs/dbraw/zinc/59/40/94/552594094.db2.gz LQMPSQNKJGCZMP-MRXNPFEDSA-N 0 0 503.625 3.106 40 0 KGABRN CCCC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC ZINC000006481518 552594137 /nfs/dbraw/zinc/59/41/37/552594137.db2.gz IPECDJFLAVEICU-QGZVFWFLSA-N 0 0 503.625 3.106 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000006487813 552594553 /nfs/dbraw/zinc/59/45/53/552594553.db2.gz RFZQGCJOHBFPSS-JGZDWKDESA-N 0 0 514.987 3.175 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000006487834 552594523 /nfs/dbraw/zinc/59/45/23/552594523.db2.gz RFZQGCJOHBFPSS-WYWXSHKMSA-N 0 0 514.987 3.175 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006487983 552594573 /nfs/dbraw/zinc/59/45/73/552594573.db2.gz WLAQDVPYQDRDGF-OVBPWOOMSA-N 0 0 587.448 3.307 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000006488001 552594557 /nfs/dbraw/zinc/59/45/57/552594557.db2.gz WLAQDVPYQDRDGF-VANJFMAXSA-N 0 0 587.448 3.307 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(Br)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000006488110 552594566 /nfs/dbraw/zinc/59/45/66/552594566.db2.gz DMUGQLZLSMSQHM-GANRHZMWSA-N 0 0 505.415 3.328 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(Br)c3)c(=O)n2[C@H]1c1cccs1 ZINC000006488122 552594586 /nfs/dbraw/zinc/59/45/86/552594586.db2.gz DMUGQLZLSMSQHM-BXBHGGAKSA-N 0 0 505.415 3.328 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000006488589 552594775 /nfs/dbraw/zinc/59/47/75/552594775.db2.gz GTBNNVHFPITXBK-FNUHDPNESA-N 0 0 590.439 3.420 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006488593 552594743 /nfs/dbraw/zinc/59/47/43/552594743.db2.gz XKHLSEKHTOPJMC-FNUHDPNESA-N 0 0 590.439 3.420 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000006488615 552594779 /nfs/dbraw/zinc/59/47/79/552594779.db2.gz FYPAEEMZKKILBX-ITICKHJUSA-N 0 0 530.387 3.403 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000006488624 552594751 /nfs/dbraw/zinc/59/47/51/552594751.db2.gz XKHLSEKHTOPJMC-PZDOZLBDSA-N 0 0 590.439 3.420 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000006488640 552594766 /nfs/dbraw/zinc/59/47/66/552594766.db2.gz FYPAEEMZKKILBX-ZPBCLNFZSA-N 0 0 530.387 3.403 40 0 KGABRN O=C(/N=c1/c2c3c(sc2nc2n1CCCCC2)CCCC3)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000006496911 552595709 /nfs/dbraw/zinc/59/57/09/552595709.db2.gz KZBQDQKEEIGHTC-COOPMVRXSA-N 0 0 526.684 3.465 40 0 KGABRN CCC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccc(OC)c(OC)c1)C(=O)Cn1nnc(-c2ccc(C)o2)n1 ZINC000006500937 552596291 /nfs/dbraw/zinc/59/62/91/552596291.db2.gz HYVQBJGDKLEZOZ-FQEVSTJZSA-N 0 0 526.638 3.413 40 0 KGABRN CCC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 ZINC000006500948 552596288 /nfs/dbraw/zinc/59/62/88/552596288.db2.gz KVLVAIHZZBMJTC-NRFANRHFSA-N 0 0 508.623 3.470 40 0 KGABRN CCC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc(-c2ccc(C)o2)n1 ZINC000006501038 552596285 /nfs/dbraw/zinc/59/62/85/552596285.db2.gz CSQBDFQIFXZGGE-FQEVSTJZSA-N 0 0 508.579 3.227 40 0 KGABRN CCC[C@@H](C(=O)NCCC(C)C)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 ZINC000006501157 552596393 /nfs/dbraw/zinc/59/63/93/552596393.db2.gz AAPBTLWIIVCMTC-NRFANRHFSA-N 0 0 512.611 3.310 40 0 KGABRN CCC[C@H](C(=O)NC(C)(C)C)N(CCc1ccc(OC)c(OC)c1)C(=O)Cn1nnc(-c2ccc(C)o2)n1 ZINC000006501262 552596369 /nfs/dbraw/zinc/59/63/69/552596369.db2.gz HYVQBJGDKLEZOZ-HXUWFJFHSA-N 0 0 526.638 3.413 40 0 KGABRN CCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 ZINC000006501275 552596434 /nfs/dbraw/zinc/59/64/34/552596434.db2.gz KVLVAIHZZBMJTC-OAQYLSRUSA-N 0 0 508.623 3.470 40 0 KGABRN CCC[C@H](C(=O)NC1CCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc(-c2ccc(C)o2)n1 ZINC000006501378 552596584 /nfs/dbraw/zinc/59/65/84/552596584.db2.gz CSQBDFQIFXZGGE-HXUWFJFHSA-N 0 0 508.579 3.227 40 0 KGABRN CCC[C@H](C(=O)NCCC(C)C)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 ZINC000006501469 552596575 /nfs/dbraw/zinc/59/65/75/552596575.db2.gz AAPBTLWIIVCMTC-OAQYLSRUSA-N 0 0 512.611 3.310 40 0 KGABRN CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)o1)c1ccccc1 ZINC000006511998 552597709 /nfs/dbraw/zinc/59/77/09/552597709.db2.gz VYVJKXWJBPTKFH-UHFFFAOYSA-N 0 0 532.644 3.456 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)NCCc3ccc(OC)c(OC)c3)o2)cc1 ZINC000006512012 552597663 /nfs/dbraw/zinc/59/76/63/552597663.db2.gz JUWSVBJYGUAQHL-UHFFFAOYSA-N 0 0 534.660 3.235 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc(C(=O)OC)cc3)o2)cc1 ZINC000006512041 552597640 /nfs/dbraw/zinc/59/76/40/552597640.db2.gz ZKVKMVWAKVBFPW-UHFFFAOYSA-N 0 0 504.590 3.285 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc(NC(C)=O)cc3)o2)cc1 ZINC000006512045 552597725 /nfs/dbraw/zinc/59/77/25/552597725.db2.gz CTTSOWAAHSOLJV-UHFFFAOYSA-N 0 0 503.606 3.456 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)o2)cc1 ZINC000006512049 552597718 /nfs/dbraw/zinc/59/77/18/552597718.db2.gz IXAXGHANMTUPMD-UHFFFAOYSA-N 0 0 504.590 3.269 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)OC)c3)o2)cc1 ZINC000006512052 552597716 /nfs/dbraw/zinc/59/77/16/552597716.db2.gz MLFKQSOERAZXER-UHFFFAOYSA-N 0 0 504.590 3.285 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3nc(C)c(C(=O)OC)s3)o2)cc1 ZINC000006512056 552597668 /nfs/dbraw/zinc/59/76/68/552597668.db2.gz FEEFXDLXXKZTLC-UHFFFAOYSA-N 0 0 525.634 3.049 40 0 KGABRN CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)o2)n1 ZINC000006512060 552597720 /nfs/dbraw/zinc/59/77/20/552597720.db2.gz LXZFRXPHCMPWFC-UHFFFAOYSA-N 0 0 539.661 3.060 40 0 KGABRN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000006544871 552598063 /nfs/dbraw/zinc/59/80/63/552598063.db2.gz JMKJJSVJKJMKSY-YGJMBROUSA-N 0 0 534.515 3.406 40 0 KGABRN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]3C1(C)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]12 ZINC000006544890 552597996 /nfs/dbraw/zinc/59/79/96/552597996.db2.gz JMKJJSVJKJMKSY-YFIVPJIISA-N 0 0 534.515 3.406 40 0 KGABRN CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000006546206 552598936 /nfs/dbraw/zinc/59/89/36/552598936.db2.gz LCNJRQSXIVEREO-SANMLTNESA-N 0 0 552.607 3.070 40 0 KGABRN CCOC(=O)CN(C(=O)Cn1nnc(-c2ccccc2F)n1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000006546208 552598898 /nfs/dbraw/zinc/59/88/98/552598898.db2.gz USUDEFPUFYIVRE-VWLOTQADSA-N 0 0 540.571 3.200 40 0 KGABRN CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000006546288 552599089 /nfs/dbraw/zinc/59/90/89/552599089.db2.gz LCNJRQSXIVEREO-AREMUKBSSA-N 0 0 552.607 3.070 40 0 KGABRN CCOC(=O)CN(C(=O)Cn1nnc(-c2ccccc2F)n1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000006546290 552599060 /nfs/dbraw/zinc/59/90/60/552599060.db2.gz USUDEFPUFYIVRE-RUZDIDTESA-N 0 0 540.571 3.200 40 0 KGABRN CCOC(=O)CN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCOC)CCC3)c1ccccc1 ZINC000006546418 552599340 /nfs/dbraw/zinc/59/93/40/552599340.db2.gz VHMBDZOPYAKHSF-UHFFFAOYSA-N 0 0 501.630 3.282 40 0 KGABRN 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3.062 40 0 KGABRN CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1 ZINC000006546993 552600258 /nfs/dbraw/zinc/60/02/58/552600258.db2.gz PMXUSTNXQQRMFU-QFIPXVFZSA-N 0 0 541.605 3.154 40 0 KGABRN CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C(F)(F)F)c1 ZINC000006547008 552600356 /nfs/dbraw/zinc/60/03/56/552600356.db2.gz XADOFHNWVNVNJZ-IBGZPJMESA-N 0 0 567.521 3.050 40 0 KGABRN CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc2ccccc21 ZINC000006547021 552600340 /nfs/dbraw/zinc/60/03/40/552600340.db2.gz VTBLNBBWLKFUEC-QHCPKHFHSA-N 0 0 549.584 3.184 40 0 KGABRN CCOC(=O)c1ccc(NC(=O)Cn2nc(-c3ccncc3)nc2SCC(=O)Nc2nccs2)cc1 ZINC000006599893 552601710 /nfs/dbraw/zinc/60/17/10/552601710.db2.gz QGPROQXNITWYQA-UHFFFAOYSA-N 0 0 523.600 3.343 40 0 KGABRN CCOCCCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1ccc(Cl)cc1 ZINC000006600039 552601996 /nfs/dbraw/zinc/60/19/96/552601996.db2.gz AOYYDGNVXZCLKD-IBGZPJMESA-N 0 0 510.060 3.250 40 0 KGABRN 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ZINC000006601460 552604830 /nfs/dbraw/zinc/60/48/30/552604830.db2.gz WEZLPGHXNSTJKX-KNQAVFIVSA-N 0 0 541.605 3.045 40 0 KGABRN CCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1 ZINC000006601464 552604787 /nfs/dbraw/zinc/60/47/87/552604787.db2.gz IJHBEGRGQKYZBT-XXBNENTESA-N 0 0 537.642 3.215 40 0 KGABRN CCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1 ZINC000006601465 552605109 /nfs/dbraw/zinc/60/51/09/552605109.db2.gz XRVOXYPTKREJNZ-VGSWGCGISA-N 0 0 541.605 3.045 40 0 KGABRN CCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OCC)cc1 ZINC000006601466 552605102 /nfs/dbraw/zinc/60/51/02/552605102.db2.gz PHGNAQZKFTWTLC-DVECYGJZSA-N 0 0 567.668 3.305 40 0 KGABRN CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(CCCO)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 ZINC000006601515 552605055 /nfs/dbraw/zinc/60/50/55/552605055.db2.gz UDLGWWAXFGORAS-HSZRJFAPSA-N 0 0 529.041 3.259 40 0 KGABRN CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(O)c2)cc1 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291786412 /nfs/dbraw/zinc/78/64/12/291786412.db2.gz GFCHYMMFSOBPFP-FNAHDJPLSA-N 0 0 509.563 3.003 40 0 biogenic,in-vitro KGABRN CC(=O)c1ccc(NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3ccc(N(C)C)cc3)n2)cc1 ZINC000008254499 552985428 /nfs/dbraw/zinc/98/54/28/552985428.db2.gz ZFWSHBVSULJHCN-CXSMSNRLSA-N 0 0 502.575 3.181 40 0 biogenic,in-vitro KGABRN COc1ccc(-c2ccc3c(c2)C(=O)N2C[C@@H](NS(=O)(=O)c4ccc(F)cc4)C[C@H]2C(=O)N3)c(OC)c1 ZINC000008299669 291789377 /nfs/dbraw/zinc/78/93/77/291789377.db2.gz CNIFQSIMKFRZCB-SBUREZEXSA-N 0 0 525.558 3.024 40 0 biogenic,in-vitro KGABRN COc1ccc(NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NC(=O)c4ccc5c(c4)OCO5)c23)cc1 ZINC000008300387 552985733 /nfs/dbraw/zinc/98/57/33/552985733.db2.gz CWPJNHQHVPFJSZ-FUHWJXTLSA-N 0 0 502.527 3.489 40 0 biogenic,in-vitro KGABRN CC(=O)O[C@@H]1[C@@H](O)[C@H](O)CO[C@H]1O[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)[C@@H]4C[C@H](O)[C@@H]3C1(C)C ZINC000008382336 290687189 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KGABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c(C)c1 ZINC000012473230 553368896 /nfs/dbraw/zinc/36/88/96/553368896.db2.gz BHOUEIRDBOGHQT-AVRDEDQJSA-N 0 0 525.606 3.263 40 0 KGABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c(C)c1 ZINC000012473237 553368870 /nfs/dbraw/zinc/36/88/70/553368870.db2.gz BHOUEIRDBOGHQT-XMSQKQJNSA-N 0 0 525.606 3.263 40 0 KGABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c(C)c1 ZINC000012473244 553368915 /nfs/dbraw/zinc/36/89/15/553368915.db2.gz BHOUEIRDBOGHQT-GCJKJVERSA-N 0 0 525.606 3.263 40 0 KGABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1 ZINC000012473251 553368958 /nfs/dbraw/zinc/36/89/58/553368958.db2.gz PIIUPFXPUJKINC-PGRDOPGGSA-N 0 0 525.606 3.263 40 0 KGABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1 ZINC000012473256 553368925 /nfs/dbraw/zinc/36/89/25/553368925.db2.gz PIIUPFXPUJKINC-AVRDEDQJSA-N 0 0 525.606 3.263 40 0 KGABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1 ZINC000012473262 553368913 /nfs/dbraw/zinc/36/89/13/553368913.db2.gz PIIUPFXPUJKINC-XMSQKQJNSA-N 0 0 525.606 3.263 40 0 KGABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1 ZINC000012473268 553368882 /nfs/dbraw/zinc/36/88/82/553368882.db2.gz PIIUPFXPUJKINC-GCJKJVERSA-N 0 0 525.606 3.263 40 0 KGABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1C ZINC000012473273 553368879 /nfs/dbraw/zinc/36/88/79/553368879.db2.gz NWKJWMJQAQUBTI-SIKLNZKXSA-N 0 0 525.606 3.263 40 0 KGABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1C ZINC000012473279 553369064 /nfs/dbraw/zinc/36/90/64/553369064.db2.gz NWKJWMJQAQUBTI-UGKGYDQZSA-N 0 0 525.606 3.263 40 0 KGABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1C ZINC000012473285 553369068 /nfs/dbraw/zinc/36/90/68/553369068.db2.gz NWKJWMJQAQUBTI-DENIHFKCSA-N 0 0 525.606 3.263 40 0 KGABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1C ZINC000012473291 553369053 /nfs/dbraw/zinc/36/90/53/553369053.db2.gz NWKJWMJQAQUBTI-KNQAVFIVSA-N 0 0 525.606 3.263 40 0 KGABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000012473547 553369341 /nfs/dbraw/zinc/36/93/41/553369341.db2.gz SJBLYQAFDBIGMY-OAQYLSRUSA-N 0 0 511.579 3.419 40 0 KGABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000012473552 553369372 /nfs/dbraw/zinc/36/93/72/553369372.db2.gz SJBLYQAFDBIGMY-NRFANRHFSA-N 0 0 511.579 3.419 40 0 KGABRN Cc1ccccc1CCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccc(O)cc1 ZINC000012474277 553370057 /nfs/dbraw/zinc/37/00/57/553370057.db2.gz IXSGZXONYHWKAY-HSZRJFAPSA-N 0 0 521.643 3.323 40 0 KGABRN Cc1ccccc1CCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1ccc(O)cc1 ZINC000012474283 553370059 /nfs/dbraw/zinc/37/00/59/553370059.db2.gz IXSGZXONYHWKAY-QHCPKHFHSA-N 0 0 521.643 3.323 40 0 KGABRN Cc1cccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(O)cc2)c1 ZINC000012474289 553370053 /nfs/dbraw/zinc/37/00/53/553370053.db2.gz RAGOASMRKHDOPL-HSZRJFAPSA-N 0 0 521.643 3.323 40 0 KGABRN Cc1cccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(O)cc2)c1 ZINC000012474295 553370047 /nfs/dbraw/zinc/37/00/47/553370047.db2.gz RAGOASMRKHDOPL-QHCPKHFHSA-N 0 0 521.643 3.323 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N ZINC000012474301 553370013 /nfs/dbraw/zinc/37/00/13/553370013.db2.gz PLUZIQWPOKSPLU-JOCHJYFZSA-N 0 0 501.568 3.234 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N ZINC000012474307 553370033 /nfs/dbraw/zinc/37/00/33/553370033.db2.gz PLUZIQWPOKSPLU-QFIPXVFZSA-N 0 0 501.568 3.234 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccccc2F)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N ZINC000012474346 553370048 /nfs/dbraw/zinc/37/00/48/553370048.db2.gz TTZYPKFZURWDAY-JOCHJYFZSA-N 0 0 519.558 3.373 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccccc2F)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N ZINC000012474350 553370041 /nfs/dbraw/zinc/37/00/41/553370041.db2.gz TTZYPKFZURWDAY-QFIPXVFZSA-N 0 0 519.558 3.373 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N ZINC000012474355 553370016 /nfs/dbraw/zinc/37/00/16/553370016.db2.gz NKUSTPHMOZFVKN-JOCHJYFZSA-N 0 0 519.558 3.373 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N ZINC000012474360 553370039 /nfs/dbraw/zinc/37/00/39/553370039.db2.gz NKUSTPHMOZFVKN-QFIPXVFZSA-N 0 0 519.558 3.373 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N ZINC000012474363 553370203 /nfs/dbraw/zinc/37/02/03/553370203.db2.gz NKZAOIRNVXGLBD-JOCHJYFZSA-N 0 0 519.558 3.373 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N ZINC000012474369 553370229 /nfs/dbraw/zinc/37/02/29/553370229.db2.gz NKZAOIRNVXGLBD-QFIPXVFZSA-N 0 0 519.558 3.373 40 0 KGABRN O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)Nc1ccc2c(c1)OCCO2 ZINC000012475605 553370989 /nfs/dbraw/zinc/37/09/89/553370989.db2.gz APJPWHLPJKCQMX-UHFFFAOYSA-N 0 0 502.574 3.023 40 0 KGABRN COc1ccc(CCN(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)[C@@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000012476461 553371316 /nfs/dbraw/zinc/37/13/16/553371316.db2.gz BJLLVAQZOOFPPL-KRWDZBQOSA-N 0 0 529.041 3.385 40 0 KGABRN COc1ccc(CCN(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)[C@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000012476468 553371542 /nfs/dbraw/zinc/37/15/42/553371542.db2.gz BJLLVAQZOOFPPL-QGZVFWFLSA-N 0 0 529.041 3.385 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc(Cl)cc3)[C@@H](C)C(=O)NC(C)(C)C)n2)cc1OC ZINC000012476543 553371552 /nfs/dbraw/zinc/37/15/52/553371552.db2.gz VAHCOWJADIRYTQ-HNNXBMFYSA-N 0 0 500.987 3.347 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc(Cl)cc3)[C@H](C)C(=O)NC(C)(C)C)n2)cc1OC ZINC000012476546 553371571 /nfs/dbraw/zinc/37/15/71/553371571.db2.gz VAHCOWJADIRYTQ-OAHLLOKOSA-N 0 0 500.987 3.347 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc(F)c(Cl)c3)[C@@H](C)C(=O)NC(C)(C)C)n2)cc1OC ZINC000012476559 553371517 /nfs/dbraw/zinc/37/15/17/553371517.db2.gz UPIKGBPFHYBIDO-AWEZNQCLSA-N 0 0 518.977 3.486 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc(F)c(Cl)c3)[C@H](C)C(=O)NC(C)(C)C)n2)cc1OC ZINC000012476565 553371521 /nfs/dbraw/zinc/37/15/21/553371521.db2.gz UPIKGBPFHYBIDO-CQSZACIVSA-N 0 0 518.977 3.486 40 0 KGABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C[C@@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000012476848 553371664 /nfs/dbraw/zinc/37/16/64/553371664.db2.gz IIESDBARQOLVTJ-LADGPHEKSA-N 0 0 508.598 3.451 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C[C@@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000012476853 553371646 /nfs/dbraw/zinc/37/16/46/553371646.db2.gz IIESDBARQOLVTJ-UPVQGACJSA-N 0 0 508.598 3.451 40 0 KGABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C[C@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000012476861 553371670 /nfs/dbraw/zinc/37/16/70/553371670.db2.gz IIESDBARQOLVTJ-ISKFKSNPSA-N 0 0 508.598 3.451 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C[C@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000012476864 553371671 /nfs/dbraw/zinc/37/16/71/553371671.db2.gz IIESDBARQOLVTJ-VWNXMTODSA-N 0 0 508.598 3.451 40 0 KGABRN COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1 ZINC000012476928 553371659 /nfs/dbraw/zinc/37/16/59/553371659.db2.gz AEJJXRLWVBXRSB-OAQYLSRUSA-N 0 0 509.632 3.440 40 0 KGABRN COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1 ZINC000012476933 553371657 /nfs/dbraw/zinc/37/16/57/553371657.db2.gz AEJJXRLWVBXRSB-NRFANRHFSA-N 0 0 509.632 3.440 40 0 KGABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccc3c(c2)OCO3)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000012476949 553371679 /nfs/dbraw/zinc/37/16/79/553371679.db2.gz XEBCGHMDIRFXRL-OAQYLSRUSA-N 0 0 523.615 3.160 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccc3c(c2)OCO3)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000012476954 553371660 /nfs/dbraw/zinc/37/16/60/553371660.db2.gz XEBCGHMDIRFXRL-NRFANRHFSA-N 0 0 523.615 3.160 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccc(C)cc2)c(OC)c1 ZINC000012477175 553371931 /nfs/dbraw/zinc/37/19/31/553371931.db2.gz JGXRHXAGYLLBRP-OAQYLSRUSA-N 0 0 525.631 3.453 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccc(C)cc2)c(OC)c1 ZINC000012477180 553371964 /nfs/dbraw/zinc/37/19/64/553371964.db2.gz JGXRHXAGYLLBRP-NRFANRHFSA-N 0 0 525.631 3.453 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1OC ZINC000012477186 553371899 /nfs/dbraw/zinc/37/18/99/553371899.db2.gz FZJKNJXKZVOCNH-OAQYLSRUSA-N 0 0 525.631 3.453 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1OC ZINC000012477192 553371925 /nfs/dbraw/zinc/37/19/25/553371925.db2.gz FZJKNJXKZVOCNH-NRFANRHFSA-N 0 0 525.631 3.453 40 0 KGABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)cc1 ZINC000012477197 553371945 /nfs/dbraw/zinc/37/19/45/553371945.db2.gz BGNLZMGOXOLHSU-OAQYLSRUSA-N 0 0 523.615 3.207 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)cc1 ZINC000012477202 553371943 /nfs/dbraw/zinc/37/19/43/553371943.db2.gz BGNLZMGOXOLHSU-NRFANRHFSA-N 0 0 523.615 3.207 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)cc1 ZINC000012477300 553372037 /nfs/dbraw/zinc/37/20/37/553372037.db2.gz PRTBIJBDCNLIKF-LADGPHEKSA-N 0 0 508.598 3.451 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)cc1 ZINC000012477304 553372062 /nfs/dbraw/zinc/37/20/62/553372062.db2.gz PRTBIJBDCNLIKF-ISKFKSNPSA-N 0 0 508.598 3.451 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)cc1 ZINC000012477309 553372042 /nfs/dbraw/zinc/37/20/42/553372042.db2.gz PRTBIJBDCNLIKF-UPVQGACJSA-N 0 0 508.598 3.451 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)cc1 ZINC000012477313 553372065 /nfs/dbraw/zinc/37/20/65/553372065.db2.gz PRTBIJBDCNLIKF-VWNXMTODSA-N 0 0 508.598 3.451 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1 ZINC000012477686 553372374 /nfs/dbraw/zinc/37/23/74/553372374.db2.gz FZEYGKKDBKQKCT-HSZRJFAPSA-N 0 0 504.547 3.342 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1 ZINC000012477693 553372387 /nfs/dbraw/zinc/37/23/87/553372387.db2.gz FZEYGKKDBKQKCT-QHCPKHFHSA-N 0 0 504.547 3.342 40 0 KGABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(C[C@@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 ZINC000012477727 553372419 /nfs/dbraw/zinc/37/24/19/553372419.db2.gz PSJBXHQZVRNQDN-UKILVPOCSA-N 0 0 520.634 3.321 40 0 KGABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C[C@@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 ZINC000012477735 553372444 /nfs/dbraw/zinc/37/24/44/553372444.db2.gz PSJBXHQZVRNQDN-ZCYQVOJMSA-N 0 0 520.634 3.321 40 0 KGABRN 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O=C(CNC(=O)c1cccs1)N(c1ccc2c(c1)OCO2)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000012489896 553380159 /nfs/dbraw/zinc/38/01/59/553380159.db2.gz TXHCGSOOHMSILE-NBGIEHNGSA-N 0 0 521.595 3.276 40 0 KGABRN O=C(CNC(=O)c1cccs1)N(c1ccc2c(c1)OCO2)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000012489905 553380192 /nfs/dbraw/zinc/38/01/92/553380192.db2.gz TXHCGSOOHMSILE-CPJSRVTESA-N 0 0 521.595 3.276 40 0 KGABRN O=C(CNC(=O)c1cccs1)N(c1ccc2c(c1)OCO2)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000012489911 553380226 /nfs/dbraw/zinc/38/02/26/553380226.db2.gz TXHCGSOOHMSILE-CJFMBICVSA-N 0 0 521.595 3.276 40 0 KGABRN O=C(CNC(=O)c1cccs1)N(c1ccc2c(c1)OCO2)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000012489921 553380168 /nfs/dbraw/zinc/38/01/68/553380168.db2.gz TXHCGSOOHMSILE-NLFFAJNJSA-N 0 0 521.595 3.276 40 0 KGABRN COCC(=O)N[C@H]1CC(C)(C)[C@@H]2C[C@@](C)(O)CC[C@]12CCC(=O)N1CCN(c2ccccc2OC)CC1 ZINC000012490882 1060054101 /nfs/dbraw/zinc/05/41/01/1060054101.db2.gz AOKHCTVKDZVEQZ-HWJGEBQJSA-N 0 0 515.695 3.223 40 0 biogenic,in-vitro KGABRN CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(CCOC)C(=O)CCC(=O)Nc1cc(C)on1 ZINC000012491332 553380614 /nfs/dbraw/zinc/38/06/14/553380614.db2.gz QHLVWQSPRCDGAN-QHCPKHFHSA-N 0 0 518.611 3.240 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(CCOC)C(=O)CCC(=O)Nc1cc(C)on1 ZINC000012491336 553380607 /nfs/dbraw/zinc/38/06/07/553380607.db2.gz QHLVWQSPRCDGAN-HSZRJFAPSA-N 0 0 518.611 3.240 40 0 KGABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(C[C@@H]2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)cc1 ZINC000012492512 553381315 /nfs/dbraw/zinc/38/13/15/553381315.db2.gz PKRQZDYXCIDDIF-GBXCKJPGSA-N 0 0 500.596 3.374 40 0 KGABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(C[C@H]2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)cc1 ZINC000012492514 553381258 /nfs/dbraw/zinc/38/12/58/553381258.db2.gz PKRQZDYXCIDDIF-HYBUGGRVSA-N 0 0 500.596 3.374 40 0 KGABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C[C@H]2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)cc1 ZINC000012492517 553381296 /nfs/dbraw/zinc/38/12/96/553381296.db2.gz PKRQZDYXCIDDIF-YKSBVNFPSA-N 0 0 500.596 3.374 40 0 KGABRN COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000012492704 553381638 /nfs/dbraw/zinc/38/16/38/553381638.db2.gz DEJZMZSQTVUMEF-UHFFFAOYSA-N 0 0 529.659 3.120 40 0 KGABRN COC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000012497883 553382045 /nfs/dbraw/zinc/38/20/45/553382045.db2.gz NKNSJRNLYOTINT-GIRPNKPCSA-N 0 0 504.564 3.124 40 0 KGABRN COC(=O)[C@]1(Cc2ccccc2)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000012497886 553381988 /nfs/dbraw/zinc/38/19/88/553381988.db2.gz NKNSJRNLYOTINT-NBCVKUGOSA-N 0 0 504.564 3.124 40 0 KGABRN COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000012498010 553382027 /nfs/dbraw/zinc/38/20/27/553382027.db2.gz DPARYAMXKANGKR-IMBSWCNGSA-N 0 0 502.498 3.116 40 0 KGABRN COC(=O)[C@]1(c2ccccc2)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000012498012 553381996 /nfs/dbraw/zinc/38/19/96/553381996.db2.gz DPARYAMXKANGKR-NLJXWPIHSA-N 0 0 502.498 3.116 40 0 KGABRN CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000012498197 553382057 /nfs/dbraw/zinc/38/20/57/553382057.db2.gz XBGNYUNJAADSPP-NLJXWPIHSA-N 0 0 508.571 3.459 40 0 KGABRN CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000012498200 553381998 /nfs/dbraw/zinc/38/19/98/553381998.db2.gz XBGNYUNJAADSPP-IMBSWCNGSA-N 0 0 508.571 3.459 40 0 KGABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000012498328 553382236 /nfs/dbraw/zinc/38/22/36/553382236.db2.gz NUGKYDROHPXWAX-IILZIBOQSA-N 0 0 526.611 3.021 40 0 KGABRN COc1ccc2[nH]c3nc(SCC(=O)Nc4ccc(S(=O)(=O)N5CCCCC5)cc4)nnc3c2c1 ZINC000012498546 553382204 /nfs/dbraw/zinc/38/22/04/553382204.db2.gz AQSJDRJLHBBOKN-UHFFFAOYSA-N 0 0 512.617 3.420 40 0 KGABRN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N=c1sccn1Cc1ccc(C)cc1 ZINC000012507668 553382386 /nfs/dbraw/zinc/38/23/86/553382386.db2.gz AAIMAFHBCXZJPC-NJNXFGOHSA-N 0 0 501.659 3.143 40 0 KGABRN COC(=O)[C@@H]1Cc2ncn(Cc3ccc(OC)cc3)c2CN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012530274 291785732 /nfs/dbraw/zinc/78/57/32/291785732.db2.gz OOSQMGDXFUTCBS-FQEVSTJZSA-N 0 0 509.506 3.247 40 0 biogenic,in-vitro KGABRN O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c(Cl)c2)C1=O ZINC000012532292 553386607 /nfs/dbraw/zinc/38/66/07/553386607.db2.gz PJZVZKCWWHFHFH-VXSPAKRUSA-N 0 0 508.383 3.097 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)n2C ZINC000012546309 553391474 /nfs/dbraw/zinc/39/14/74/553391474.db2.gz ATAMOSSHEZJBPU-HBFSDRIKSA-N 0 0 506.669 3.021 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C)n2C ZINC000012546311 553391377 /nfs/dbraw/zinc/39/13/77/553391377.db2.gz ATAMOSSHEZJBPU-BJLQDIEVSA-N 0 0 506.669 3.021 40 0 KGABRN O=C(COC(=O)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000012588495 553400032 /nfs/dbraw/zinc/40/00/32/553400032.db2.gz DLLWHYPYPMNOST-MMOCYWLFSA-N 0 0 524.477 3.479 40 0 KGABRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)COC(=O)/C=C/C(=O)OCC(=O)N1C[C@]3(C)C[C@H]1CC(C)(C)C3)C2 ZINC000012602995 553402041 /nfs/dbraw/zinc/40/20/41/553402041.db2.gz PFUCFTQFWULNLR-AQKUASNQSA-N 0 0 502.652 3.483 40 0 KGABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccccc1 ZINC000012635246 553406714 /nfs/dbraw/zinc/40/67/14/553406714.db2.gz XIVWATUYXIEYTG-UHFFFAOYSA-N 0 0 519.689 3.111 40 0 KGABRN CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCN(c4nc5ccccc5s4)CC3)cc2)CC1 ZINC000012635297 553406738 /nfs/dbraw/zinc/40/67/38/553406738.db2.gz UPDBVXSOQALULR-UHFFFAOYSA-N 0 0 520.702 3.228 40 0 KGABRN COc1cc(OC)cc(C(=O)Nc2ccccc2-c2nnn(CC(=O)Nc3ccc4c(c3)OCCO4)n2)c1 ZINC000012638666 553407921 /nfs/dbraw/zinc/40/79/21/553407921.db2.gz QJYXJUHJCIMHCW-UHFFFAOYSA-N 0 0 516.514 3.020 40 0 KGABRN COc1cccc2cc(C(=O)Nc3ccccc3-c3nnn(CC(=O)NC4CCCCC4)n3)c(=O)oc21 ZINC000012638856 553407881 /nfs/dbraw/zinc/40/78/81/553407881.db2.gz LOBUPKXFLJJEKD-UHFFFAOYSA-N 0 0 502.531 3.156 40 0 KGABRN Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)[C@@H]3CCCN3C(=O)NC3CCCCC3)s2)cc1 ZINC000012638977 553407898 /nfs/dbraw/zinc/40/78/98/553407898.db2.gz QLBJBSLIEBBJKL-IBGZPJMESA-N 0 0 505.666 3.308 40 0 KGABRN Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)[C@H]3CCCN3C(=O)NC3CCCCC3)s2)cc1 ZINC000012638982 553407859 /nfs/dbraw/zinc/40/78/59/553407859.db2.gz QLBJBSLIEBBJKL-LJQANCHMSA-N 0 0 505.666 3.308 40 0 KGABRN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)CSc1nc2ncnc(N)c2[nH]1 ZINC000012640577 553408022 /nfs/dbraw/zinc/40/80/22/553408022.db2.gz VOPQFHAIYBZAGC-UHFFFAOYSA-N 0 0 511.589 3.465 40 0 KGABRN C[C@@H]1CCc2c(sc3ncn4c(SCC(=O)Nc5ccc(S(=O)(=O)N(C)C)cc5)nnc4c23)C1 ZINC000012640741 553408335 /nfs/dbraw/zinc/40/83/35/553408335.db2.gz OORXNLDOVMIBMS-CYBMUJFWSA-N 0 0 516.674 3.445 40 0 KGABRN C[C@H]1CCc2c(sc3ncn4c(SCC(=O)Nc5ccc(S(=O)(=O)N(C)C)cc5)nnc4c23)C1 ZINC000012640746 553408278 /nfs/dbraw/zinc/40/82/78/553408278.db2.gz OORXNLDOVMIBMS-ZDUSSCGKSA-N 0 0 516.674 3.445 40 0 KGABRN COc1ccc(C(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H]2C(=O)N(Cc2cccs2)[C@@H]4C(=O)NC2CCCC2)c(O)c1 ZINC000012645650 553408944 /nfs/dbraw/zinc/40/89/44/553408944.db2.gz DBUURISSFWGRAN-GFLMTFTGSA-N 0 0 508.596 3.055 40 0 KGABRN COc1ccc(C(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@@H]2C(=O)N(Cc2cccs2)[C@@H]4C(=O)NC2CCCC2)c(O)c1 ZINC000012645656 553408949 /nfs/dbraw/zinc/40/89/49/553408949.db2.gz DBUURISSFWGRAN-NIKVCUOGSA-N 0 0 508.596 3.055 40 0 KGABRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]12 ZINC000012660614 553411952 /nfs/dbraw/zinc/41/19/52/553411952.db2.gz YNIFGNHTUBRHLX-WMAXPRTBSA-N 0 0 507.580 3.267 40 0 KGABRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@H]12 ZINC000012660617 553411909 /nfs/dbraw/zinc/41/19/09/553411909.db2.gz YNIFGNHTUBRHLX-JOHYPEIOSA-N 0 0 507.580 3.267 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc(C)cc3C)[C@@H](C)C(=O)NC3CCCC3)n2)cc1OC ZINC000012701372 553413625 /nfs/dbraw/zinc/41/36/25/553413625.db2.gz IXDRJIMRKKXEEE-IBGZPJMESA-N 0 0 506.607 3.455 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc(C)cc3C)[C@H](C)C(=O)NC3CCCC3)n2)cc1OC ZINC000012701376 553413558 /nfs/dbraw/zinc/41/35/58/553413558.db2.gz IXDRJIMRKKXEEE-LJQANCHMSA-N 0 0 506.607 3.455 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc(Cl)cc3)[C@@H](C)C(=O)NC3CCCC3)n2)cc1OC ZINC000012701513 553413618 /nfs/dbraw/zinc/41/36/18/553413618.db2.gz SLPDLQMXWCUKQT-INIZCTEOSA-N 0 0 512.998 3.491 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc(Cl)cc3)[C@H](C)C(=O)NC3CCCC3)n2)cc1OC ZINC000012701519 553413631 /nfs/dbraw/zinc/41/36/31/553413631.db2.gz SLPDLQMXWCUKQT-MRXNPFEDSA-N 0 0 512.998 3.491 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccc(C)cc3)n2)o1 ZINC000012701981 553413697 /nfs/dbraw/zinc/41/36/97/553413697.db2.gz BMXRQVQXKOUTFP-WIOPSUGQSA-N 0 0 506.607 3.358 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccc(C)cc3)n2)o1 ZINC000012701989 553413701 /nfs/dbraw/zinc/41/37/01/553413701.db2.gz BMXRQVQXKOUTFP-DHLKQENFSA-N 0 0 506.607 3.358 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccc(C)cc3)n2)o1 ZINC000012701995 553413720 /nfs/dbraw/zinc/41/37/20/553413720.db2.gz BMXRQVQXKOUTFP-RCZVLFRGSA-N 0 0 506.607 3.358 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccc(C)cc3)n2)o1 ZINC000012702001 553413685 /nfs/dbraw/zinc/41/36/85/553413685.db2.gz BMXRQVQXKOUTFP-RDGATRHJSA-N 0 0 506.607 3.358 40 0 KGABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(C[C@@H]1CCCO1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000012702563 553414021 /nfs/dbraw/zinc/41/40/21/553414021.db2.gz FSSLRGBKMDKVCE-UKILVPOCSA-N 0 0 524.572 3.426 40 0 KGABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(C[C@@H]1CCCO1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000012702569 553413999 /nfs/dbraw/zinc/41/39/99/553413999.db2.gz FSSLRGBKMDKVCE-ZCYQVOJMSA-N 0 0 524.572 3.426 40 0 KGABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(C[C@H]1CCCO1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000012702573 553414053 /nfs/dbraw/zinc/41/40/53/553414053.db2.gz FSSLRGBKMDKVCE-ILBGXUMGSA-N 0 0 524.572 3.426 40 0 KGABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(C[C@H]1CCCO1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000012702578 553414054 /nfs/dbraw/zinc/41/40/54/553414054.db2.gz FSSLRGBKMDKVCE-NOZRDPDXSA-N 0 0 524.572 3.426 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 ZINC000012703058 553414448 /nfs/dbraw/zinc/41/44/48/553414448.db2.gz LNQJDBZNXDXBHA-RUZDIDTESA-N 0 0 516.558 3.486 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 ZINC000012703063 553414416 /nfs/dbraw/zinc/41/44/16/553414416.db2.gz LNQJDBZNXDXBHA-VWLOTQADSA-N 0 0 516.558 3.486 40 0 KGABRN COc1cc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)ccc1O ZINC000012703220 553414531 /nfs/dbraw/zinc/41/45/31/553414531.db2.gz PHVXKOFBOALRHY-JOCHJYFZSA-N 0 0 523.615 3.294 40 0 KGABRN COc1cc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)ccc1O ZINC000012703226 553414520 /nfs/dbraw/zinc/41/45/20/553414520.db2.gz PHVXKOFBOALRHY-QFIPXVFZSA-N 0 0 523.615 3.294 40 0 KGABRN COc1cc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)ccc1O ZINC000012703230 553414523 /nfs/dbraw/zinc/41/45/23/553414523.db2.gz GAYLSHPGIPKETD-JOCHJYFZSA-N 0 0 523.615 3.294 40 0 KGABRN COc1cc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)ccc1O ZINC000012703235 553414576 /nfs/dbraw/zinc/41/45/76/553414576.db2.gz GAYLSHPGIPKETD-QFIPXVFZSA-N 0 0 523.615 3.294 40 0 KGABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)o1 ZINC000012703788 553414971 /nfs/dbraw/zinc/41/49/71/553414971.db2.gz HAWBFMKJVNXIBQ-WIOPSUGQSA-N 0 0 506.607 3.358 40 0 KGABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)o1 ZINC000012703791 553414980 /nfs/dbraw/zinc/41/49/80/553414980.db2.gz HAWBFMKJVNXIBQ-RCZVLFRGSA-N 0 0 506.607 3.358 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)o1 ZINC000012703794 553414984 /nfs/dbraw/zinc/41/49/84/553414984.db2.gz HAWBFMKJVNXIBQ-DHLKQENFSA-N 0 0 506.607 3.358 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)o1 ZINC000012703798 553414973 /nfs/dbraw/zinc/41/49/73/553414973.db2.gz HAWBFMKJVNXIBQ-RDGATRHJSA-N 0 0 506.607 3.358 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3ccc(Cl)cc3)n2)cc1OC ZINC000012705021 553415430 /nfs/dbraw/zinc/41/54/30/553415430.db2.gz WUJQIAULPBZLTK-UHFFFAOYSA-N 0 0 512.998 3.493 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3cc(C)ccc3OC)n2)cc1OC ZINC000012705098 553415484 /nfs/dbraw/zinc/41/54/84/553415484.db2.gz KFOSBIHFKQANRO-UHFFFAOYSA-N 0 0 522.606 3.156 40 0 KGABRN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N(CCO)[C@@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000012705596 553415863 /nfs/dbraw/zinc/41/58/63/553415863.db2.gz PVBDZLLCXHYSRX-OAQYLSRUSA-N 0 0 503.028 3.066 40 0 KGABRN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N(CCO)[C@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000012705603 553415813 /nfs/dbraw/zinc/41/58/13/553415813.db2.gz PVBDZLLCXHYSRX-NRFANRHFSA-N 0 0 503.028 3.066 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)cc3)n2)cc1 ZINC000012706112 553416022 /nfs/dbraw/zinc/41/60/22/553416022.db2.gz NTSCEKZIJASDDO-OHSXHVKISA-N 0 0 532.645 3.001 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)cc3)n2)cc1 ZINC000012706118 553416055 /nfs/dbraw/zinc/41/60/55/553416055.db2.gz NTSCEKZIJASDDO-KLJDGLGGSA-N 0 0 532.645 3.001 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)cc3)n2)cc1 ZINC000012706126 553416029 /nfs/dbraw/zinc/41/60/29/553416029.db2.gz NTSCEKZIJASDDO-ZWEKWIFMSA-N 0 0 532.645 3.001 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)cc3)n2)cc1 ZINC000012706135 553416061 /nfs/dbraw/zinc/41/60/61/553416061.db2.gz NTSCEKZIJASDDO-WEWMWRJBSA-N 0 0 532.645 3.001 40 0 KGABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2C)cc1 ZINC000012706144 553416056 /nfs/dbraw/zinc/41/60/56/553416056.db2.gz KDVFLFHOLFDWKY-WMZHIEFXSA-N 0 0 521.643 3.433 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2C)cc1 ZINC000012706150 553416018 /nfs/dbraw/zinc/41/60/18/553416018.db2.gz KDVFLFHOLFDWKY-CVDCTZTESA-N 0 0 521.643 3.433 40 0 KGABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2C)cc1 ZINC000012706160 553416035 /nfs/dbraw/zinc/41/60/35/553416035.db2.gz KDVFLFHOLFDWKY-AUSIDOKSSA-N 0 0 521.643 3.433 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2C)cc1 ZINC000012706167 553416013 /nfs/dbraw/zinc/41/60/13/553416013.db2.gz KDVFLFHOLFDWKY-XXBNENTESA-N 0 0 521.643 3.433 40 0 KGABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)cc1 ZINC000012706172 553416043 /nfs/dbraw/zinc/41/60/43/553416043.db2.gz UCKNEGFVZGWVSX-WMZHIEFXSA-N 0 0 521.643 3.433 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)cc1 ZINC000012706178 553416025 /nfs/dbraw/zinc/41/60/25/553416025.db2.gz UCKNEGFVZGWVSX-CVDCTZTESA-N 0 0 521.643 3.433 40 0 KGABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)cc1 ZINC000012706185 553416027 /nfs/dbraw/zinc/41/60/27/553416027.db2.gz UCKNEGFVZGWVSX-AUSIDOKSSA-N 0 0 521.643 3.433 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)cc1 ZINC000012706193 553416033 /nfs/dbraw/zinc/41/60/33/553416033.db2.gz UCKNEGFVZGWVSX-XXBNENTESA-N 0 0 521.643 3.433 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)o1 ZINC000012706255 553416019 /nfs/dbraw/zinc/41/60/19/553416019.db2.gz OEBVTYTVVQLKPI-WIOPSUGQSA-N 0 0 518.549 3.450 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)o1 ZINC000012706263 553416039 /nfs/dbraw/zinc/41/60/39/553416039.db2.gz OEBVTYTVVQLKPI-DHLKQENFSA-N 0 0 518.549 3.450 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)o1 ZINC000012706271 553416302 /nfs/dbraw/zinc/41/63/02/553416302.db2.gz OEBVTYTVVQLKPI-RCZVLFRGSA-N 0 0 518.549 3.450 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)o1 ZINC000012706277 553416274 /nfs/dbraw/zinc/41/62/74/553416274.db2.gz OEBVTYTVVQLKPI-RDGATRHJSA-N 0 0 518.549 3.450 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(O)cc3)n2)o1 ZINC000012706282 553416239 /nfs/dbraw/zinc/41/62/39/553416239.db2.gz UFMYSKWOPLGHFD-DHLKQENFSA-N 0 0 516.558 3.017 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc(Cl)cc2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1N ZINC000012706363 553416279 /nfs/dbraw/zinc/41/62/79/553416279.db2.gz WYRCROUQTLNMEU-KBXCAEBGSA-N 0 0 520.036 3.222 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc(Cl)cc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1N ZINC000012706370 553416246 /nfs/dbraw/zinc/41/62/46/553416246.db2.gz WYRCROUQTLNMEU-KSSFIOAISA-N 0 0 520.036 3.222 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc(Cl)cc2)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1N ZINC000012706375 553416271 /nfs/dbraw/zinc/41/62/71/553416271.db2.gz WYRCROUQTLNMEU-RDTXWAMCSA-N 0 0 520.036 3.222 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc(Cl)cc2)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1N ZINC000012706379 553416269 /nfs/dbraw/zinc/41/62/69/553416269.db2.gz WYRCROUQTLNMEU-KDOFPFPSSA-N 0 0 520.036 3.222 40 0 KGABRN Cc1ccc(C)c(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000012708771 553416256 /nfs/dbraw/zinc/41/62/56/553416256.db2.gz PHWBVFFETOFDOU-QCNWMPOZSA-N 0 0 515.632 3.056 40 0 KGABRN Cc1ccc(C)c(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000012708776 553416299 /nfs/dbraw/zinc/41/62/99/553416299.db2.gz PHWBVFFETOFDOU-DVBGFMBJSA-N 0 0 515.632 3.056 40 0 KGABRN Cc1ccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C(=O)NC(C)(C)C)c(C)c1 ZINC000012708841 553416544 /nfs/dbraw/zinc/41/65/44/553416544.db2.gz AOFODILQUOOZRO-QCNWMPOZSA-N 0 0 515.632 3.056 40 0 KGABRN Cc1ccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NC(C)(C)C)c(C)c1 ZINC000012708846 553416494 /nfs/dbraw/zinc/41/64/94/553416494.db2.gz AOFODILQUOOZRO-DVBGFMBJSA-N 0 0 515.632 3.056 40 0 KGABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000012709018 553416522 /nfs/dbraw/zinc/41/65/22/553416522.db2.gz GHJPBDHCGCXRON-GEFOQTLXSA-N 0 0 522.023 3.092 40 0 KGABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000012709023 553416482 /nfs/dbraw/zinc/41/64/82/553416482.db2.gz GHJPBDHCGCXRON-HXQCJVTRSA-N 0 0 522.023 3.092 40 0 KGABRN Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccc2c(c1)OCO2 ZINC000012709164 553416485 /nfs/dbraw/zinc/41/64/85/553416485.db2.gz ZKGFGQGSTVMDME-UHFFFAOYSA-N 0 0 527.647 3.218 40 0 KGABRN O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCC1)c1ccc(F)c(Cl)c1)Nc1ccc(F)cc1 ZINC000012709425 553416529 /nfs/dbraw/zinc/41/65/29/553416529.db2.gz PVWZVYRHNSJWJB-UUWRZZSWSA-N 0 0 511.978 3.397 40 0 KGABRN Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)N(CC(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 ZINC000012709442 553416513 /nfs/dbraw/zinc/41/65/13/553416513.db2.gz IUWHWDILDOJMJE-UHFFFAOYSA-N 0 0 527.647 3.265 40 0 KGABRN Cc1ccc(C)c(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000012709614 553416749 /nfs/dbraw/zinc/41/67/49/553416749.db2.gz IGWBVVDVDWVXTO-JGEXTMCWSA-N 0 0 527.643 3.200 40 0 KGABRN Cc1ccc(C)c(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000012709621 553416769 /nfs/dbraw/zinc/41/67/69/553416769.db2.gz IGWBVVDVDWVXTO-WYLSIVMYSA-N 0 0 527.643 3.200 40 0 KGABRN Cc1cccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C(=O)NC2CCCC2)c1C ZINC000012709665 553416762 /nfs/dbraw/zinc/41/67/62/553416762.db2.gz IDLXYLWCACLCRG-JGEXTMCWSA-N 0 0 527.643 3.200 40 0 KGABRN Cc1cccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NC2CCCC2)c1C ZINC000012709668 553416755 /nfs/dbraw/zinc/41/67/55/553416755.db2.gz IDLXYLWCACLCRG-WYLSIVMYSA-N 0 0 527.643 3.200 40 0 KGABRN Cc1ccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C(=O)NC2CCCC2)c(C)c1 ZINC000012709707 553416747 /nfs/dbraw/zinc/41/67/47/553416747.db2.gz MJKIDNHOZTYZEU-JGEXTMCWSA-N 0 0 527.643 3.200 40 0 KGABRN Cc1ccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NC2CCCC2)c(C)c1 ZINC000012709712 553416766 /nfs/dbraw/zinc/41/67/66/553416766.db2.gz MJKIDNHOZTYZEU-WYLSIVMYSA-N 0 0 527.643 3.200 40 0 KGABRN Cc1ccc(C)c(N(CC(=O)NC2CCCCC2)C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000012710145 553416893 /nfs/dbraw/zinc/41/68/93/553416893.db2.gz RYOQCORFCDKLCJ-QNGWXLTQSA-N 0 0 527.643 3.201 40 0 KGABRN Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)c1C ZINC000012710166 553416935 /nfs/dbraw/zinc/41/69/35/553416935.db2.gz FDZWDAOXRZSYPJ-QNGWXLTQSA-N 0 0 527.643 3.201 40 0 KGABRN Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)c(C)c1 ZINC000012710195 553416909 /nfs/dbraw/zinc/41/69/09/553416909.db2.gz CKFGKYARRCSABJ-QNGWXLTQSA-N 0 0 527.643 3.201 40 0 KGABRN Cc1cccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000012710379 553416950 /nfs/dbraw/zinc/41/69/50/553416950.db2.gz PAWFVMIBFHEYNL-JGEXTMCWSA-N 0 0 527.643 3.282 40 0 KGABRN Cc1cccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000012710382 553416877 /nfs/dbraw/zinc/41/68/77/553416877.db2.gz PAWFVMIBFHEYNL-WYLSIVMYSA-N 0 0 527.643 3.282 40 0 KGABRN Cc1ccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000012710420 553416897 /nfs/dbraw/zinc/41/68/97/553416897.db2.gz ASSVWXHFAXXJCB-JGEXTMCWSA-N 0 0 527.643 3.282 40 0 KGABRN Cc1ccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000012710427 553416916 /nfs/dbraw/zinc/41/69/16/553416916.db2.gz ASSVWXHFAXXJCB-WYLSIVMYSA-N 0 0 527.643 3.282 40 0 KGABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c(C)c1 ZINC000012711243 553417342 /nfs/dbraw/zinc/41/73/42/553417342.db2.gz QOQFEAZEGLMHRL-MGPUTAFESA-N 0 0 513.645 3.186 40 0 KGABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c(C)c1 ZINC000012711248 553417350 /nfs/dbraw/zinc/41/73/50/553417350.db2.gz QOQFEAZEGLMHRL-YWZLYKJASA-N 0 0 513.645 3.186 40 0 KGABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c(C)c1 ZINC000012711252 553417372 /nfs/dbraw/zinc/41/73/72/553417372.db2.gz QOQFEAZEGLMHRL-FOIQADDNSA-N 0 0 513.645 3.186 40 0 KGABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c(C)c1 ZINC000012711256 553417379 /nfs/dbraw/zinc/41/73/79/553417379.db2.gz QOQFEAZEGLMHRL-QRWLVFNGSA-N 0 0 513.645 3.186 40 0 KGABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1 ZINC000012711261 553417337 /nfs/dbraw/zinc/41/73/37/553417337.db2.gz WPXSJEKAEPOHKN-MGPUTAFESA-N 0 0 513.645 3.186 40 0 KGABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1 ZINC000012711266 553417378 /nfs/dbraw/zinc/41/73/78/553417378.db2.gz WPXSJEKAEPOHKN-YWZLYKJASA-N 0 0 513.645 3.186 40 0 KGABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1 ZINC000012711272 553417380 /nfs/dbraw/zinc/41/73/80/553417380.db2.gz WPXSJEKAEPOHKN-FOIQADDNSA-N 0 0 513.645 3.186 40 0 KGABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1 ZINC000012711275 553417373 /nfs/dbraw/zinc/41/73/73/553417373.db2.gz WPXSJEKAEPOHKN-QRWLVFNGSA-N 0 0 513.645 3.186 40 0 KGABRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1 ZINC000012711280 553417366 /nfs/dbraw/zinc/41/73/66/553417366.db2.gz MGVCQCUWNGZIAD-OXJNMPFZSA-N 0 0 513.645 3.186 40 0 KGABRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1 ZINC000012711285 553417370 /nfs/dbraw/zinc/41/73/70/553417370.db2.gz MGVCQCUWNGZIAD-JXFKEZNVSA-N 0 0 513.645 3.186 40 0 KGABRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1 ZINC000012711290 553417375 /nfs/dbraw/zinc/41/73/75/553417375.db2.gz MGVCQCUWNGZIAD-OXQOHEQNSA-N 0 0 513.645 3.186 40 0 KGABRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1 ZINC000012711291 553417341 /nfs/dbraw/zinc/41/73/41/553417341.db2.gz MGVCQCUWNGZIAD-UZLBHIALSA-N 0 0 513.645 3.186 40 0 KGABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(OC)c(OC)cc3[nH]c2=O)N2CCC[C@@H](C)C2)cc1 ZINC000012712903 553417934 /nfs/dbraw/zinc/41/79/34/553417934.db2.gz DCIFGUHOQAPHFF-CRICUBBOSA-N 0 0 504.591 3.410 40 0 KGABRN COc1cc([C@@H](Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C(=O)NC(C)(C)C)cc(OC)c1OC ZINC000012714587 553419215 /nfs/dbraw/zinc/41/92/15/553419215.db2.gz SUYJMRMZEFWSJY-WMZHIEFXSA-N 0 0 535.663 3.238 40 0 KGABRN COc1cc([C@H](Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C(=O)NC(C)(C)C)cc(OC)c1OC ZINC000012714592 553419221 /nfs/dbraw/zinc/41/92/21/553419221.db2.gz SUYJMRMZEFWSJY-CVDCTZTESA-N 0 0 535.663 3.238 40 0 KGABRN COc1cc([C@@H](Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C(=O)NC(C)(C)C)cc(OC)c1OC ZINC000012714598 553419213 /nfs/dbraw/zinc/41/92/13/553419213.db2.gz SUYJMRMZEFWSJY-AUSIDOKSSA-N 0 0 535.663 3.238 40 0 KGABRN COc1cc([C@H](Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C(=O)NC(C)(C)C)cc(OC)c1OC ZINC000012714604 553419202 /nfs/dbraw/zinc/41/92/02/553419202.db2.gz SUYJMRMZEFWSJY-XXBNENTESA-N 0 0 535.663 3.238 40 0 KGABRN COc1ccc([C@@H](Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C(=O)NC(C)(C)C)cc1OC ZINC000012714628 553419208 /nfs/dbraw/zinc/41/92/08/553419208.db2.gz QRUCZCIJHDFIAF-WMZHIEFXSA-N 0 0 505.637 3.229 40 0 KGABRN COc1ccc([C@H](Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C(=O)NC(C)(C)C)cc1OC ZINC000012714634 553419362 /nfs/dbraw/zinc/41/93/62/553419362.db2.gz QRUCZCIJHDFIAF-CVDCTZTESA-N 0 0 505.637 3.229 40 0 KGABRN COc1ccc([C@@H](Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C(=O)NC(C)(C)C)cc1OC ZINC000012714641 553419413 /nfs/dbraw/zinc/41/94/13/553419413.db2.gz QRUCZCIJHDFIAF-AUSIDOKSSA-N 0 0 505.637 3.229 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(C)o2)c(OC)c1 ZINC000012714643 553419372 /nfs/dbraw/zinc/41/93/72/553419372.db2.gz BMGCODWNPVYOHH-OAQYLSRUSA-N 0 0 527.603 3.190 40 0 KGABRN COc1ccc([C@H](Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C(=O)NC(C)(C)C)cc1OC ZINC000012714646 553419369 /nfs/dbraw/zinc/41/93/69/553419369.db2.gz QRUCZCIJHDFIAF-XXBNENTESA-N 0 0 505.637 3.229 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(C)o2)c(OC)c1 ZINC000012714647 553419389 /nfs/dbraw/zinc/41/93/89/553419389.db2.gz BMGCODWNPVYOHH-NRFANRHFSA-N 0 0 527.603 3.190 40 0 KGABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccc(C)o1 ZINC000012714652 553419375 /nfs/dbraw/zinc/41/93/75/553419375.db2.gz ZZTHTULFZOLJCK-OAQYLSRUSA-N 0 0 511.604 3.490 40 0 KGABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1ccc(C)o1 ZINC000012714658 553419392 /nfs/dbraw/zinc/41/93/92/553419392.db2.gz ZZTHTULFZOLJCK-NRFANRHFSA-N 0 0 511.604 3.490 40 0 KGABRN COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(C)o2)cc1 ZINC000012714711 553419359 /nfs/dbraw/zinc/41/93/59/553419359.db2.gz KWXLTPACUTWKTM-OAQYLSRUSA-N 0 0 511.604 3.177 40 0 KGABRN COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(C)o2)cc1 ZINC000012714720 553419433 /nfs/dbraw/zinc/41/94/33/553419433.db2.gz KWXLTPACUTWKTM-NRFANRHFSA-N 0 0 511.604 3.177 40 0 KGABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)o1 ZINC000012714825 553419504 /nfs/dbraw/zinc/41/95/04/553419504.db2.gz ZMUGAHWGYHMVNV-OAQYLSRUSA-N 0 0 525.587 3.291 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)o1 ZINC000012714830 553419506 /nfs/dbraw/zinc/41/95/06/553419506.db2.gz ZMUGAHWGYHMVNV-NRFANRHFSA-N 0 0 525.587 3.291 40 0 KGABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)o1 ZINC000012714873 553419527 /nfs/dbraw/zinc/41/95/27/553419527.db2.gz CXCMMSBLIGGOKD-HRAATJIYSA-N 0 0 511.604 3.026 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)o1 ZINC000012714879 553419486 /nfs/dbraw/zinc/41/94/86/553419486.db2.gz CXCMMSBLIGGOKD-KKSFZXQISA-N 0 0 511.604 3.026 40 0 KGABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)o1 ZINC000012714887 553419529 /nfs/dbraw/zinc/41/95/29/553419529.db2.gz CXCMMSBLIGGOKD-IIBYNOLFSA-N 0 0 511.604 3.026 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)o1 ZINC000012714894 553419484 /nfs/dbraw/zinc/41/94/84/553419484.db2.gz CXCMMSBLIGGOKD-IERDGZPVSA-N 0 0 511.604 3.026 40 0 KGABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2C)o1 ZINC000012714902 553419540 /nfs/dbraw/zinc/41/95/40/553419540.db2.gz YGKZWRWUJKIYHD-HRAATJIYSA-N 0 0 511.604 3.026 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2C)o1 ZINC000012714910 553419523 /nfs/dbraw/zinc/41/95/23/553419523.db2.gz YGKZWRWUJKIYHD-KKSFZXQISA-N 0 0 511.604 3.026 40 0 KGABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2C)o1 ZINC000012714920 553419533 /nfs/dbraw/zinc/41/95/33/553419533.db2.gz YGKZWRWUJKIYHD-IIBYNOLFSA-N 0 0 511.604 3.026 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2C)o1 ZINC000012714925 553419512 /nfs/dbraw/zinc/41/95/12/553419512.db2.gz YGKZWRWUJKIYHD-IERDGZPVSA-N 0 0 511.604 3.026 40 0 KGABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)o1 ZINC000012714933 553419525 /nfs/dbraw/zinc/41/95/25/553419525.db2.gz PCZIRLCVBIEHSB-LAUBAEHRSA-N 0 0 511.604 3.026 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)o1 ZINC000012714938 553419492 /nfs/dbraw/zinc/41/94/92/553419492.db2.gz PCZIRLCVBIEHSB-UWJYYQICSA-N 0 0 511.604 3.026 40 0 KGABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)o1 ZINC000012714943 553419542 /nfs/dbraw/zinc/41/95/42/553419542.db2.gz PCZIRLCVBIEHSB-DYESRHJHSA-N 0 0 511.604 3.026 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)o1 ZINC000012714948 553419502 /nfs/dbraw/zinc/41/95/02/553419502.db2.gz PCZIRLCVBIEHSB-UTKZUKDTSA-N 0 0 511.604 3.026 40 0 KGABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)o1 ZINC000012714955 553419544 /nfs/dbraw/zinc/41/95/44/553419544.db2.gz ZGAVGCRSCJQZDA-LAUBAEHRSA-N 0 0 511.604 3.026 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)o1 ZINC000012714965 553419536 /nfs/dbraw/zinc/41/95/36/553419536.db2.gz ZGAVGCRSCJQZDA-UWJYYQICSA-N 0 0 511.604 3.026 40 0 KGABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)o1 ZINC000012714972 553419508 /nfs/dbraw/zinc/41/95/08/553419508.db2.gz ZGAVGCRSCJQZDA-DYESRHJHSA-N 0 0 511.604 3.026 40 0 KGABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)o1 ZINC000012714977 553419495 /nfs/dbraw/zinc/41/94/95/553419495.db2.gz ZGAVGCRSCJQZDA-UTKZUKDTSA-N 0 0 511.604 3.026 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(C)o2)c(OC)c1 ZINC000012715113 553419757 /nfs/dbraw/zinc/41/97/57/553419757.db2.gz TTYRAUZTFZKQPY-OAQYLSRUSA-N 0 0 529.619 3.293 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(C)o2)c(OC)c1 ZINC000012715117 553419747 /nfs/dbraw/zinc/41/97/47/553419747.db2.gz TTYRAUZTFZKQPY-NRFANRHFSA-N 0 0 529.619 3.293 40 0 KGABRN COc1ccc(OC)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(C)o2)c1 ZINC000012715121 553419729 /nfs/dbraw/zinc/41/97/29/553419729.db2.gz FBMFNBKFUAZAJE-OAQYLSRUSA-N 0 0 529.619 3.293 40 0 KGABRN COc1ccc(OC)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(C)o2)c1 ZINC000012715126 553419766 /nfs/dbraw/zinc/41/97/66/553419766.db2.gz FBMFNBKFUAZAJE-NRFANRHFSA-N 0 0 529.619 3.293 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccc(C)o2)c(OC)c1 ZINC000012715273 553419733 /nfs/dbraw/zinc/41/97/33/553419733.db2.gz JBWNXWUYKHPFAM-LJQANCHMSA-N 0 0 515.592 3.046 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccc(C)o2)c(OC)c1 ZINC000012715278 553419714 /nfs/dbraw/zinc/41/97/14/553419714.db2.gz JBWNXWUYKHPFAM-IBGZPJMESA-N 0 0 515.592 3.046 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccc(C)o2)cc1OC ZINC000012715284 553419707 /nfs/dbraw/zinc/41/97/07/553419707.db2.gz XVZIRAOVSIYYCN-LJQANCHMSA-N 0 0 515.592 3.046 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccc(C)o2)cc1OC ZINC000012715288 553419771 /nfs/dbraw/zinc/41/97/71/553419771.db2.gz XVZIRAOVSIYYCN-IBGZPJMESA-N 0 0 515.592 3.046 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C)C(=O)NC(C)(C)C)n2)cc1OC ZINC000012716158 553419848 /nfs/dbraw/zinc/41/98/48/553419848.db2.gz GXYAZYFRIGFJPE-INIZCTEOSA-N 0 0 515.014 3.343 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@H](C)C(=O)NC(C)(C)C)n2)cc1OC ZINC000012716161 553419877 /nfs/dbraw/zinc/41/98/77/553419877.db2.gz GXYAZYFRIGFJPE-MRXNPFEDSA-N 0 0 515.014 3.343 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC(C)(C)C)c3ccco3)n2)o1 ZINC000012716251 553420082 /nfs/dbraw/zinc/42/00/82/553420082.db2.gz PSEQXFKQHXBOMW-HSZRJFAPSA-N 0 0 520.546 3.248 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC(C)(C)C)c3ccco3)n2)o1 ZINC000012716254 553420091 /nfs/dbraw/zinc/42/00/91/553420091.db2.gz PSEQXFKQHXBOMW-QHCPKHFHSA-N 0 0 520.546 3.248 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C(=O)NC(C)(C)C)c3ccco3)n2)o1 ZINC000012716268 553420083 /nfs/dbraw/zinc/42/00/83/553420083.db2.gz IWZMMAXCAAWSJS-HSZRJFAPSA-N 0 0 520.546 3.295 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C(=O)NC(C)(C)C)c3ccco3)n2)o1 ZINC000012716273 553420087 /nfs/dbraw/zinc/42/00/87/553420087.db2.gz IWZMMAXCAAWSJS-QHCPKHFHSA-N 0 0 520.546 3.295 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 ZINC000012716449 553420065 /nfs/dbraw/zinc/42/00/65/553420065.db2.gz PRHNDIIFUQLEKH-ZJSXRUAMSA-N 0 0 510.570 3.188 40 0 KGABRN Cc1nn(C)cc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000012716598 553420092 /nfs/dbraw/zinc/42/00/92/553420092.db2.gz RPPOWUCETNSYPK-MHZLTWQESA-N 0 0 529.601 3.425 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC3CCCCC3)c3ccc(C)o3)n2)o1 ZINC000012716653 553420243 /nfs/dbraw/zinc/42/02/43/553420243.db2.gz IVGUHSBFUFZPOT-RDPSFJRHSA-N 0 0 510.595 3.341 40 0 KGABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)C2CCCC2)c1OC ZINC000012716729 553420222 /nfs/dbraw/zinc/42/02/22/553420222.db2.gz VTVHLPARWAJORI-OAQYLSRUSA-N 0 0 529.663 3.416 40 0 KGABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)C2CCCC2)c1OC ZINC000012716732 553420193 /nfs/dbraw/zinc/42/01/93/553420193.db2.gz VTVHLPARWAJORI-NRFANRHFSA-N 0 0 529.663 3.416 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)o1 ZINC000012716746 553420227 /nfs/dbraw/zinc/42/02/27/553420227.db2.gz BNUAEQPOJXPQIF-YKSBVNFPSA-N 0 0 522.537 3.039 40 0 KGABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1OC ZINC000012716767 553420199 /nfs/dbraw/zinc/42/01/99/553420199.db2.gz VHKKORWEDICCFE-JOCHJYFZSA-N 0 0 523.615 3.288 40 0 KGABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1OC ZINC000012716770 553420206 /nfs/dbraw/zinc/42/02/06/553420206.db2.gz VHKKORWEDICCFE-QFIPXVFZSA-N 0 0 523.615 3.288 40 0 KGABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)C2CCCC2)cc1OC ZINC000012716776 553420220 /nfs/dbraw/zinc/42/02/20/553420220.db2.gz RYYUQIWWNZKNMZ-OAQYLSRUSA-N 0 0 515.636 3.026 40 0 KGABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)C2CCCC2)cc1OC ZINC000012716780 553420420 /nfs/dbraw/zinc/42/04/20/553420420.db2.gz RYYUQIWWNZKNMZ-NRFANRHFSA-N 0 0 515.636 3.026 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)o1 ZINC000012716796 553420342 /nfs/dbraw/zinc/42/03/42/553420342.db2.gz KGOVUDNNXCZSDD-FDDCHVKYSA-N 0 0 524.603 3.270 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)o1 ZINC000012716799 553420412 /nfs/dbraw/zinc/42/04/12/553420412.db2.gz KGOVUDNNXCZSDD-MBSDFSHPSA-N 0 0 524.603 3.270 40 0 KGABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1OC ZINC000012716801 553420397 /nfs/dbraw/zinc/42/03/97/553420397.db2.gz XFNACYGUYBATBW-OAQYLSRUSA-N 0 0 525.631 3.453 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)o1 ZINC000012716804 553420391 /nfs/dbraw/zinc/42/03/91/553420391.db2.gz KGOVUDNNXCZSDD-WZONZLPQSA-N 0 0 524.603 3.270 40 0 KGABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1OC ZINC000012716805 553420348 /nfs/dbraw/zinc/42/03/48/553420348.db2.gz XFNACYGUYBATBW-NRFANRHFSA-N 0 0 525.631 3.453 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)o1 ZINC000012716808 553420327 /nfs/dbraw/zinc/42/03/27/553420327.db2.gz KGOVUDNNXCZSDD-JPYJTQIMSA-N 0 0 524.603 3.270 40 0 KGABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC ZINC000012716809 553420354 /nfs/dbraw/zinc/42/03/54/553420354.db2.gz BQBCFKZNTUIUAR-OAQYLSRUSA-N 0 0 525.631 3.453 40 0 KGABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC ZINC000012716812 553420401 /nfs/dbraw/zinc/42/04/01/553420401.db2.gz BQBCFKZNTUIUAR-NRFANRHFSA-N 0 0 525.631 3.453 40 0 KGABRN CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000012833524 553421163 /nfs/dbraw/zinc/42/11/63/553421163.db2.gz XRBKPMCPJBSRGU-UHFFFAOYSA-N 0 0 509.655 3.143 40 0 KGABRN CC1CCN(C(=O)Cn2cnc(NC(=O)c3cnn4c3nc(-c3ccco3)cc4C(F)(F)F)n2)CC1 ZINC000012848047 553421905 /nfs/dbraw/zinc/42/19/05/553421905.db2.gz BDFLXYWYPBLMBT-UHFFFAOYSA-N 0 0 502.457 3.110 40 0 KGABRN COc1cccc(CN(C(=O)c2csnn2)[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccncc2)c1 ZINC000012872490 553424207 /nfs/dbraw/zinc/42/42/07/553424207.db2.gz IYMQCUINOFRCJS-XMMPIXPASA-N 0 0 517.567 3.371 40 0 KGABRN COc1cccc(CN(C(=O)c2csnn2)[C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccncc2)c1 ZINC000012872500 553424179 /nfs/dbraw/zinc/42/41/79/553424179.db2.gz IYMQCUINOFRCJS-DEOSSOPVSA-N 0 0 517.567 3.371 40 0 KGABRN O=S(=O)(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000012876975 553424900 /nfs/dbraw/zinc/42/49/00/553424900.db2.gz NMFVRNYQOODCKN-SFHVURJKSA-N 0 0 521.686 3.322 40 0 KGABRN O=S(=O)(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000012876983 553424902 /nfs/dbraw/zinc/42/49/02/553424902.db2.gz NMFVRNYQOODCKN-GOSISDBHSA-N 0 0 521.686 3.322 40 0 KGABRN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1 ZINC000012887158 553426243 /nfs/dbraw/zinc/42/62/43/553426243.db2.gz LZHWTBSLFVCYEU-CAKMRRPLSA-N 0 0 514.626 3.464 40 0 KGABRN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1 ZINC000012887173 553426230 /nfs/dbraw/zinc/42/62/30/553426230.db2.gz LZHWTBSLFVCYEU-HITXAYFKSA-N 0 0 514.626 3.464 40 0 KGABRN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)C1=O ZINC000013012680 553432594 /nfs/dbraw/zinc/43/25/94/553432594.db2.gz BOEQDYVNNIZLQF-UDCNLSRBSA-N 0 0 512.632 3.149 40 0 KGABRN CCC(C)(C)NC(=O)[C@H](c1cc(OC)c(OC)c(OC)c1)N(C(=O)Cn1nnc2ccccc21)C1CC1 ZINC000013023972 553433889 /nfs/dbraw/zinc/43/38/89/553433889.db2.gz ULQCKEJNUDFTHZ-DEOSSOPVSA-N 0 0 509.607 3.494 40 0 KGABRN CCC(C)(C)NC(=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)N(C(=O)Cn1nnc2ccccc21)C1CC1 ZINC000013023975 553433909 /nfs/dbraw/zinc/43/39/09/553433909.db2.gz ULQCKEJNUDFTHZ-XMMPIXPASA-N 0 0 509.607 3.494 40 0 KGABRN COc1ccc([C@@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)NCCC(C)C)cc1OC ZINC000013028256 553437512 /nfs/dbraw/zinc/43/75/12/553437512.db2.gz JQQPVPGNVKKKGA-XMMPIXPASA-N 0 0 505.637 3.040 40 0 KGABRN COc1ccc([C@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)NCCC(C)C)cc1OC ZINC000013028258 553437457 /nfs/dbraw/zinc/43/74/57/553437457.db2.gz JQQPVPGNVKKKGA-DEOSSOPVSA-N 0 0 505.637 3.040 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C(=O)NC[C@@H]2CCCO2)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013028268 553437505 /nfs/dbraw/zinc/43/75/05/553437505.db2.gz UGHBOJOPCSCHIG-GBXCKJPGSA-N 0 0 535.663 3.191 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc(N[C@H](C(=O)NC[C@@H]2CCCO2)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013028271 553437687 /nfs/dbraw/zinc/43/76/87/553437687.db2.gz UGHBOJOPCSCHIG-RDPSFJRHSA-N 0 0 535.663 3.191 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C(=O)NC[C@H]2CCCO2)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013028274 553437698 /nfs/dbraw/zinc/43/76/98/553437698.db2.gz UGHBOJOPCSCHIG-HYBUGGRVSA-N 0 0 535.663 3.191 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc(N[C@H](C(=O)NC[C@H]2CCCO2)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013028277 553437740 /nfs/dbraw/zinc/43/77/40/553437740.db2.gz UGHBOJOPCSCHIG-YKSBVNFPSA-N 0 0 535.663 3.191 40 0 KGABRN CCOc1ccc([C@H](C(=O)NCc2ccccc2)N(CCOC)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013028410 553437689 /nfs/dbraw/zinc/43/76/89/553437689.db2.gz GBUOPNVEUARHFA-HHHXNRCGSA-N 0 0 501.587 3.363 40 0 KGABRN CCOc1ccc([C@@H](C(=O)NCc2ccccc2)N(CCOC)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013028412 553437713 /nfs/dbraw/zinc/43/77/13/553437713.db2.gz GBUOPNVEUARHFA-MHZLTWQESA-N 0 0 501.587 3.363 40 0 KGABRN CCOc1ccccc1[C@H](C(=O)NCc1ccccc1)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000013028458 553437683 /nfs/dbraw/zinc/43/76/83/553437683.db2.gz VMZLZNHKWURDGF-HHHXNRCGSA-N 0 0 501.587 3.363 40 0 KGABRN CCOc1ccccc1[C@@H](C(=O)NCc1ccccc1)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000013028461 553437728 /nfs/dbraw/zinc/43/77/28/553437728.db2.gz VMZLZNHKWURDGF-MHZLTWQESA-N 0 0 501.587 3.363 40 0 KGABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCCC1)c1cc(OC)ccc1OC ZINC000013028778 553438227 /nfs/dbraw/zinc/43/82/27/553438227.db2.gz HRQOWOHSRLZOOK-AREMUKBSSA-N 0 0 509.607 3.114 40 0 KGABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCCC1)c1cc(OC)ccc1OC ZINC000013028783 553438195 /nfs/dbraw/zinc/43/81/95/553438195.db2.gz HRQOWOHSRLZOOK-SANMLTNESA-N 0 0 509.607 3.114 40 0 KGABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCCC1)c1cccc(OC)c1OC ZINC000013028809 553438229 /nfs/dbraw/zinc/43/82/29/553438229.db2.gz BHYUXNLFKXGNAO-RUZDIDTESA-N 0 0 509.607 3.114 40 0 KGABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCCC1)c1cccc(OC)c1OC ZINC000013028811 553438243 /nfs/dbraw/zinc/43/82/43/553438243.db2.gz BHYUXNLFKXGNAO-VWLOTQADSA-N 0 0 509.607 3.114 40 0 KGABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC(C)(C)C)c1cc(OC)cc(OC)c1 ZINC000013029124 553438714 /nfs/dbraw/zinc/43/87/14/553438714.db2.gz ILZKCKLRLIUGOI-RUZDIDTESA-N 0 0 511.623 3.360 40 0 KGABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC(C)(C)C)c1cc(OC)cc(OC)c1 ZINC000013029127 553438783 /nfs/dbraw/zinc/43/87/83/553438783.db2.gz ILZKCKLRLIUGOI-VWLOTQADSA-N 0 0 511.623 3.360 40 0 KGABRN COc1cc(OC)cc([C@H](C(=O)NC(C)(C)C)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029145 553438774 /nfs/dbraw/zinc/43/87/74/553438774.db2.gz WHMDQVICVMLQFU-UQBPGWFLSA-N 0 0 509.607 3.112 40 0 KGABRN COc1cc(OC)cc([C@@H](C(=O)NC(C)(C)C)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029148 553438721 /nfs/dbraw/zinc/43/87/21/553438721.db2.gz WHMDQVICVMLQFU-DFBJGRDBSA-N 0 0 509.607 3.112 40 0 KGABRN COc1cc(OC)cc([C@H](C(=O)NC(C)(C)C)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029150 553438763 /nfs/dbraw/zinc/43/87/63/553438763.db2.gz WHMDQVICVMLQFU-KBMIEXCESA-N 0 0 509.607 3.112 40 0 KGABRN COc1cc(OC)cc([C@@H](C(=O)NC(C)(C)C)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029152 553438728 /nfs/dbraw/zinc/43/87/28/553438728.db2.gz WHMDQVICVMLQFU-CLOONOSVSA-N 0 0 509.607 3.112 40 0 KGABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC(C)(C)C)c1cccc(OC)c1OC ZINC000013029259 553439093 /nfs/dbraw/zinc/43/90/93/553439093.db2.gz GODRZMCTFPSABP-XMMPIXPASA-N 0 0 511.623 3.360 40 0 KGABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC(C)(C)C)c1cccc(OC)c1OC ZINC000013029260 553439143 /nfs/dbraw/zinc/43/91/43/553439143.db2.gz GODRZMCTFPSABP-DEOSSOPVSA-N 0 0 511.623 3.360 40 0 KGABRN COc1cccc([C@H](C(=O)NC(C)(C)C)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1OC ZINC000013029282 553439062 /nfs/dbraw/zinc/43/90/62/553439062.db2.gz IJXWOONAYJOPNF-MHECFPHRSA-N 0 0 509.607 3.112 40 0 KGABRN COc1cccc([C@@H](C(=O)NC(C)(C)C)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1OC ZINC000013029284 553439140 /nfs/dbraw/zinc/43/91/40/553439140.db2.gz IJXWOONAYJOPNF-UUOWRZLLSA-N 0 0 509.607 3.112 40 0 KGABRN COc1cccc([C@H](C(=O)NC(C)(C)C)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1OC ZINC000013029285 553439089 /nfs/dbraw/zinc/43/90/89/553439089.db2.gz IJXWOONAYJOPNF-HOYKHHGWSA-N 0 0 509.607 3.112 40 0 KGABRN COc1cccc([C@@H](C(=O)NC(C)(C)C)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1OC ZINC000013029287 553439084 /nfs/dbraw/zinc/43/90/84/553439084.db2.gz IJXWOONAYJOPNF-KOSHJBKYSA-N 0 0 509.607 3.112 40 0 KGABRN COc1cc(OC)cc([C@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029627 553439577 /nfs/dbraw/zinc/43/95/77/553439577.db2.gz RYKISZGPOOOZDQ-KDYSTLNUSA-N 0 0 521.618 3.256 40 0 KGABRN COc1cc(OC)cc([C@@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029630 553439594 /nfs/dbraw/zinc/43/95/94/553439594.db2.gz RYKISZGPOOOZDQ-IDISGSTGSA-N 0 0 521.618 3.256 40 0 KGABRN COc1cc(OC)cc([C@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029633 553439610 /nfs/dbraw/zinc/43/96/10/553439610.db2.gz RYKISZGPOOOZDQ-JIPXPUAJSA-N 0 0 521.618 3.256 40 0 KGABRN COc1cc(OC)cc([C@@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029636 553439574 /nfs/dbraw/zinc/43/95/74/553439574.db2.gz RYKISZGPOOOZDQ-ZBLYBZFDSA-N 0 0 521.618 3.256 40 0 KGABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029857 553439975 /nfs/dbraw/zinc/43/99/75/553439975.db2.gz ZZAPOSPGAHKECN-KDYSTLNUSA-N 0 0 521.618 3.256 40 0 KGABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029859 553439921 /nfs/dbraw/zinc/43/99/21/553439921.db2.gz ZZAPOSPGAHKECN-IDISGSTGSA-N 0 0 521.618 3.256 40 0 KGABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029861 553439948 /nfs/dbraw/zinc/43/99/48/553439948.db2.gz ZZAPOSPGAHKECN-JIPXPUAJSA-N 0 0 521.618 3.256 40 0 KGABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029863 553439938 /nfs/dbraw/zinc/43/99/38/553439938.db2.gz ZZAPOSPGAHKECN-ZBLYBZFDSA-N 0 0 521.618 3.256 40 0 KGABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1OC ZINC000013029899 553440219 /nfs/dbraw/zinc/44/02/19/553440219.db2.gz RTDUAOQDKPTCEF-RXFWQSSRSA-N 0 0 521.618 3.256 40 0 KGABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1OC ZINC000013029901 553440162 /nfs/dbraw/zinc/44/01/62/553440162.db2.gz RTDUAOQDKPTCEF-FNZWTVRRSA-N 0 0 521.618 3.256 40 0 KGABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1OC ZINC000013029903 553440247 /nfs/dbraw/zinc/44/02/47/553440247.db2.gz RTDUAOQDKPTCEF-FQRUVTKNSA-N 0 0 521.618 3.256 40 0 KGABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1OC ZINC000013029905 553440235 /nfs/dbraw/zinc/44/02/35/553440235.db2.gz RTDUAOQDKPTCEF-IBVKSMDESA-N 0 0 521.618 3.256 40 0 KGABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000013030007 553440266 /nfs/dbraw/zinc/44/02/66/553440266.db2.gz MNLMFZFXVJRODR-KDYSTLNUSA-N 0 0 521.618 3.256 40 0 KGABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000013030009 553440310 /nfs/dbraw/zinc/44/03/10/553440310.db2.gz MNLMFZFXVJRODR-IDISGSTGSA-N 0 0 521.618 3.256 40 0 KGABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000013030012 553440255 /nfs/dbraw/zinc/44/02/55/553440255.db2.gz MNLMFZFXVJRODR-JIPXPUAJSA-N 0 0 521.618 3.256 40 0 KGABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000013030014 553440263 /nfs/dbraw/zinc/44/02/63/553440263.db2.gz MNLMFZFXVJRODR-ZBLYBZFDSA-N 0 0 521.618 3.256 40 0 KGABRN COc1ccc([C@H](C(=O)NCCC(C)C)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000013030487 553440976 /nfs/dbraw/zinc/44/09/76/553440976.db2.gz HRQIBDLBAAVNSN-KDYSTLNUSA-N 0 0 523.634 3.360 40 0 KGABRN COc1ccc([C@@H](C(=O)NCCC(C)C)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000013030490 553440962 /nfs/dbraw/zinc/44/09/62/553440962.db2.gz HRQIBDLBAAVNSN-IDISGSTGSA-N 0 0 523.634 3.360 40 0 KGABRN COc1ccc([C@H](C(=O)NCCC(C)C)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000013030493 553440984 /nfs/dbraw/zinc/44/09/84/553440984.db2.gz HRQIBDLBAAVNSN-JIPXPUAJSA-N 0 0 523.634 3.360 40 0 KGABRN COc1ccc([C@@H](C(=O)NCCC(C)C)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000013030496 553440980 /nfs/dbraw/zinc/44/09/80/553440980.db2.gz HRQIBDLBAAVNSN-ZBLYBZFDSA-N 0 0 523.634 3.360 40 0 KGABRN COc1ccc([C@H](C(=O)NCCC(C)C)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000013030544 553440959 /nfs/dbraw/zinc/44/09/59/553440959.db2.gz DHFAOLWPYZCJHN-KDYSTLNUSA-N 0 0 523.634 3.360 40 0 KGABRN COc1ccc([C@@H](C(=O)NCCC(C)C)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000013030548 553440972 /nfs/dbraw/zinc/44/09/72/553440972.db2.gz DHFAOLWPYZCJHN-IDISGSTGSA-N 0 0 523.634 3.360 40 0 KGABRN COc1ccc([C@H](C(=O)NCCC(C)C)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000013030552 553440993 /nfs/dbraw/zinc/44/09/93/553440993.db2.gz DHFAOLWPYZCJHN-JIPXPUAJSA-N 0 0 523.634 3.360 40 0 KGABRN COc1ccc([C@@H](C(=O)NCCC(C)C)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000013030555 553440991 /nfs/dbraw/zinc/44/09/91/553440991.db2.gz DHFAOLWPYZCJHN-ZBLYBZFDSA-N 0 0 523.634 3.360 40 0 KGABRN CCOc1ccc([C@H](C(=O)NCCC(C)C)N(CCOC)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000013030693 553441095 /nfs/dbraw/zinc/44/10/95/553441095.db2.gz RPNFAKKULDTWAT-AREMUKBSSA-N 0 0 511.623 3.217 40 0 KGABRN CCOc1ccc([C@@H](C(=O)NCCC(C)C)N(CCOC)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000013030696 553441025 /nfs/dbraw/zinc/44/10/25/553441025.db2.gz RPNFAKKULDTWAT-SANMLTNESA-N 0 0 511.623 3.217 40 0 KGABRN CC(C)CCNC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000013030857 553441282 /nfs/dbraw/zinc/44/12/82/553441282.db2.gz KRSQBQJECVOHEQ-SANMLTNESA-N 0 0 500.559 3.492 40 0 KGABRN CC(C)CCNC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000013030860 553441266 /nfs/dbraw/zinc/44/12/66/553441266.db2.gz KRSQBQJECVOHEQ-AREMUKBSSA-N 0 0 500.559 3.492 40 0 KGABRN CC(C)CCNC(=O)[C@H](c1ccncc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 ZINC000013031018 553441328 /nfs/dbraw/zinc/44/13/28/553441328.db2.gz GUVUAGGCLIRGTI-MHZLTWQESA-N 0 0 514.586 3.487 40 0 KGABRN CC(C)CCNC(=O)[C@@H](c1ccncc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 ZINC000013031021 553441369 /nfs/dbraw/zinc/44/13/69/553441369.db2.gz GUVUAGGCLIRGTI-HHHXNRCGSA-N 0 0 514.586 3.487 40 0 KGABRN CC(C)CCNC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000013031102 553441359 /nfs/dbraw/zinc/44/13/59/553441359.db2.gz OYSQPBGOMLHECU-SANMLTNESA-N 0 0 500.559 3.492 40 0 KGABRN CC(C)CCNC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000013031104 553441361 /nfs/dbraw/zinc/44/13/61/553441361.db2.gz OYSQPBGOMLHECU-AREMUKBSSA-N 0 0 500.559 3.492 40 0 KGABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013064132 553443918 /nfs/dbraw/zinc/44/39/18/553443918.db2.gz FBTXZZJUIHTEHK-XMMPIXPASA-N 0 0 504.591 3.282 40 0 KGABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013064133 553443928 /nfs/dbraw/zinc/44/39/28/553443928.db2.gz FBTXZZJUIHTEHK-DEOSSOPVSA-N 0 0 504.591 3.282 40 0 KGABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013064305 553444051 /nfs/dbraw/zinc/44/40/51/553444051.db2.gz KKHBENUHALCUDG-XMMPIXPASA-N 0 0 504.591 3.282 40 0 KGABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013064306 553443915 /nfs/dbraw/zinc/44/39/15/553443915.db2.gz KKHBENUHALCUDG-DEOSSOPVSA-N 0 0 504.591 3.282 40 0 KGABRN CC[C@H](c1nnnn1CCOC)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013064484 553444035 /nfs/dbraw/zinc/44/40/35/553444035.db2.gz BNUWSHMJPMITTN-HSZRJFAPSA-N 0 0 504.591 3.128 40 0 KGABRN CC[C@@H](c1nnnn1CCOC)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013064485 553443924 /nfs/dbraw/zinc/44/39/24/553443924.db2.gz BNUWSHMJPMITTN-QHCPKHFHSA-N 0 0 504.591 3.128 40 0 KGABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000013085361 553445580 /nfs/dbraw/zinc/44/55/80/553445580.db2.gz IDHFSDVTXFVBSK-JOCHJYFZSA-N 0 0 502.999 3.217 40 0 KGABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000013085363 553445615 /nfs/dbraw/zinc/44/56/15/553445615.db2.gz IDHFSDVTXFVBSK-QFIPXVFZSA-N 0 0 502.999 3.217 40 0 KGABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(OC)c1 ZINC000013085380 553445595 /nfs/dbraw/zinc/44/55/95/553445595.db2.gz UCQQZDCDCSZYAX-JOCHJYFZSA-N 0 0 502.999 3.217 40 0 KGABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(OC)c1 ZINC000013085382 553445588 /nfs/dbraw/zinc/44/55/88/553445588.db2.gz UCQQZDCDCSZYAX-QFIPXVFZSA-N 0 0 502.999 3.217 40 0 KGABRN COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1OC ZINC000013085474 553445583 /nfs/dbraw/zinc/44/55/83/553445583.db2.gz LRBKEDCAPBKDRD-OAQYLSRUSA-N 0 0 502.999 3.217 40 0 KGABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1OC ZINC000013085476 553445565 /nfs/dbraw/zinc/44/55/65/553445565.db2.gz LRBKEDCAPBKDRD-NRFANRHFSA-N 0 0 502.999 3.217 40 0 KGABRN COc1cc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000013085512 553445624 /nfs/dbraw/zinc/44/56/24/553445624.db2.gz WTRUPYWLSPWYLH-HSZRJFAPSA-N 0 0 502.999 3.217 40 0 KGABRN COc1cc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000013085514 553445567 /nfs/dbraw/zinc/44/55/67/553445567.db2.gz WTRUPYWLSPWYLH-QHCPKHFHSA-N 0 0 502.999 3.217 40 0 KGABRN COc1cc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3Cl)CC2)cc(OC)c1 ZINC000013085516 553445597 /nfs/dbraw/zinc/44/55/97/553445597.db2.gz UQOHJGROMLPFFO-HSZRJFAPSA-N 0 0 502.999 3.217 40 0 KGABRN COc1cc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3Cl)CC2)cc(OC)c1 ZINC000013085518 553445545 /nfs/dbraw/zinc/44/55/45/553445545.db2.gz UQOHJGROMLPFFO-QHCPKHFHSA-N 0 0 502.999 3.217 40 0 KGABRN COc1cc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc(OC)c1 ZINC000013085530 553445604 /nfs/dbraw/zinc/44/56/04/553445604.db2.gz BHHMTDPJROBEIB-HSZRJFAPSA-N 0 0 502.999 3.217 40 0 KGABRN COc1cc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc(OC)c1 ZINC000013085532 553445630 /nfs/dbraw/zinc/44/56/30/553445630.db2.gz BHHMTDPJROBEIB-QHCPKHFHSA-N 0 0 502.999 3.217 40 0 KGABRN CCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000013101671 553447738 /nfs/dbraw/zinc/44/77/38/553447738.db2.gz JIEYYYGZLRFRIC-LNLFQRSKSA-N 0 0 509.024 3.440 40 0 KGABRN 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CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494618 553460335 /nfs/dbraw/zinc/46/03/35/553460335.db2.gz ISRKMSYNYDJYQF-DEOSSOPVSA-N 0 0 511.671 3.344 40 0 KGABRN CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494620 553460255 /nfs/dbraw/zinc/46/02/55/553460255.db2.gz ISRKMSYNYDJYQF-XMMPIXPASA-N 0 0 511.671 3.344 40 0 KGABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495096 1059077259 /nfs/dbraw/zinc/07/72/59/1059077259.db2.gz DBPRZLDOCSALEU-OAQYLSRUSA-N 0 0 522.537 3.099 40 0 KGABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1cccnc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013495350 553462125 /nfs/dbraw/zinc/46/21/25/553462125.db2.gz RRJIYBGCHITEJC-HSZRJFAPSA-N 0 0 505.579 3.025 40 0 KGABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1cccnc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013495352 553462098 /nfs/dbraw/zinc/46/20/98/553462098.db2.gz RRJIYBGCHITEJC-QHCPKHFHSA-N 0 0 505.579 3.025 40 0 KGABRN 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AQTKQBBZWTYYIO-FNAHDJPLSA-N 0 0 524.618 3.071 40 0 KGABRN COc1cc(C(=O)NCCC[C@@H](C)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000016576278 553568478 /nfs/dbraw/zinc/56/84/78/553568478.db2.gz MBUSSDHKINBJLK-MRXNPFEDSA-N 0 0 504.580 3.314 40 0 KGABRN COc1cc(C(=O)NCCC[C@H](C)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000016576280 553568481 /nfs/dbraw/zinc/56/84/81/553568481.db2.gz MBUSSDHKINBJLK-INIZCTEOSA-N 0 0 504.580 3.314 40 0 KGABRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cccc(O)c3)sc2=N1 ZINC000016637504 553570431 /nfs/dbraw/zinc/57/04/31/553570431.db2.gz UZIQIJGBBLHDGB-IGSWSUAKSA-N 0 0 508.596 3.301 40 0 KGABRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cccc(O)c3)sc2=N1 ZINC000016637507 553570379 /nfs/dbraw/zinc/57/03/79/553570379.db2.gz UZIQIJGBBLHDGB-YMSBRDKKSA-N 0 0 508.596 3.301 40 0 KGABRN CCN(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)S(=O)(=O)c1cc(F)ccc1OC ZINC000016678311 553571674 /nfs/dbraw/zinc/57/16/74/553571674.db2.gz WAFVXIYXDUUSQX-UHFFFAOYSA-N 0 0 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000016688836 553573190 /nfs/dbraw/zinc/57/31/90/553573190.db2.gz JVAHSYRAGPYXLI-XPCGLTFESA-N 0 0 508.596 3.214 40 0 KGABRN CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000016691658 553573583 /nfs/dbraw/zinc/57/35/83/553573583.db2.gz VQLQGIDISYLTJM-UHFFFAOYSA-N 0 0 523.611 3.392 40 0 KGABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2ccccc2)cc1 ZINC000016691921 553573536 /nfs/dbraw/zinc/57/35/36/553573536.db2.gz CPBBSNJVJPBUIE-UHFFFAOYSA-N 0 0 523.611 3.392 40 0 KGABRN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)S(C)(=O)=O ZINC000016693485 553573831 /nfs/dbraw/zinc/57/38/31/553573831.db2.gz MOHFYQJYHTWXAV-UHFFFAOYSA-N 0 0 503.602 3.291 40 0 KGABRN CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000016693493 553573840 /nfs/dbraw/zinc/57/38/40/553573840.db2.gz DHLITAJFMPFRRZ-UHFFFAOYSA-N 0 0 523.611 3.392 40 0 KGABRN 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/nfs/dbraw/zinc/66/68/28/553666828.db2.gz YPJWTLYUMGGHLW-UHFFFAOYSA-N 0 0 533.716 3.331 40 0 KGABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1)c1ccccc1 ZINC000020032963 553666839 /nfs/dbraw/zinc/66/68/39/553666839.db2.gz GLWFPWWFYMODMH-HXUWFJFHSA-N 0 0 529.684 3.225 40 0 KGABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1)c1ccccc1 ZINC000020032966 553666866 /nfs/dbraw/zinc/66/68/66/553666866.db2.gz GLWFPWWFYMODMH-FQEVSTJZSA-N 0 0 529.684 3.225 40 0 KGABRN CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000020032995 553666851 /nfs/dbraw/zinc/66/68/51/553666851.db2.gz AEYHJYSPQKUJQT-UHFFFAOYSA-N 0 0 521.705 3.187 40 0 KGABRN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1 ZINC000020033033 553666825 /nfs/dbraw/zinc/66/68/25/553666825.db2.gz SPSVOCIBDRIOJO-UHFFFAOYSA-N 0 0 515.657 3.295 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000020033071 553666811 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JSGGMZNLUHUZCW-UHFFFAOYSA-N 0 0 517.449 3.493 40 0 KGABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000020039619 553668592 /nfs/dbraw/zinc/66/85/92/553668592.db2.gz OMAIQVLVADTWKB-UHFFFAOYSA-N 0 0 511.666 3.184 40 0 KGABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000020040215 553668892 /nfs/dbraw/zinc/66/88/92/553668892.db2.gz ZAFFUHJUBHDRGG-UHFFFAOYSA-N 0 0 509.650 3.117 40 0 KGABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000020041142 553668935 /nfs/dbraw/zinc/66/89/35/553668935.db2.gz AHGUMPQFDUEVEM-UHFFFAOYSA-N 0 0 503.602 3.435 40 0 KGABRN COc1ccc(CNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OC ZINC000020042468 553669177 /nfs/dbraw/zinc/66/91/77/553669177.db2.gz VNGRGMNDVYCYDI-UHFFFAOYSA-N 0 0 500.573 3.233 40 0 KGABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020042796 553669145 /nfs/dbraw/zinc/66/91/45/553669145.db2.gz ZMRNUKROMOTGKJ-UHFFFAOYSA-N 0 0 521.661 3.048 40 0 KGABRN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)C1 ZINC000020042830 553669214 /nfs/dbraw/zinc/66/92/14/553669214.db2.gz ZTEUFLXNVLDFJI-LJQANCHMSA-N 0 0 516.645 3.098 40 0 KGABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)C1 ZINC000020042834 553669181 /nfs/dbraw/zinc/66/91/81/553669181.db2.gz ZTEUFLXNVLDFJI-IBGZPJMESA-N 0 0 516.645 3.098 40 0 KGABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)c1 ZINC000020043028 553669236 /nfs/dbraw/zinc/66/92/36/553669236.db2.gz RHXRBWZDZXKHCP-QHCPKHFHSA-N 0 0 515.613 3.270 40 0 KGABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)c1 ZINC000020043031 553669491 /nfs/dbraw/zinc/66/94/91/553669491.db2.gz RHXRBWZDZXKHCP-HSZRJFAPSA-N 0 0 515.613 3.270 40 0 KGABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000020044714 553669652 /nfs/dbraw/zinc/66/96/52/553669652.db2.gz QCNXDKZUGAMTDW-UHFFFAOYSA-N 0 0 511.666 3.184 40 0 KGABRN COc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000020045135 553669737 /nfs/dbraw/zinc/66/97/37/553669737.db2.gz WIYZHQCFMDPIHL-UHFFFAOYSA-N 0 0 504.586 3.309 40 0 KGABRN Cc1cc(I)ccc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000020048217 553670234 /nfs/dbraw/zinc/67/02/34/553670234.db2.gz RCLARWRCAPFZJN-UHFFFAOYSA-N 0 0 500.358 3.014 40 0 KGABRN CC[C@H](C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000020049504 553670825 /nfs/dbraw/zinc/67/08/25/553670825.db2.gz PNROHGPVUMAEOP-OAQYLSRUSA-N 0 0 511.666 3.182 40 0 KGABRN CC[C@@H](C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000020049507 553670764 /nfs/dbraw/zinc/67/07/64/553670764.db2.gz PNROHGPVUMAEOP-NRFANRHFSA-N 0 0 511.666 3.182 40 0 KGABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000020049681 553670814 /nfs/dbraw/zinc/67/08/14/553670814.db2.gz SEIPWZKXPFSSEQ-UHFFFAOYSA-N 0 0 505.662 3.429 40 0 KGABRN 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CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000020060955 553673458 /nfs/dbraw/zinc/67/34/58/553673458.db2.gz OCYBWFLPZQQBLN-UHFFFAOYSA-N 0 0 503.602 3.291 40 0 KGABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1 ZINC000020060968 553673488 /nfs/dbraw/zinc/67/34/88/553673488.db2.gz AQMUZGBWLZNVQN-UHFFFAOYSA-N 0 0 507.565 3.040 40 0 KGABRN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000020060995 553673675 /nfs/dbraw/zinc/67/36/75/553673675.db2.gz UPEBRKDVQOIUKI-UHFFFAOYSA-N 0 0 521.592 3.430 40 0 KGABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000020061277 553675052 /nfs/dbraw/zinc/67/50/52/553675052.db2.gz JYEUATZJUWMSTH-KRWDZBQOSA-N 0 0 503.602 3.289 40 0 KGABRN COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000020061278 553674962 /nfs/dbraw/zinc/67/49/62/553674962.db2.gz JYEUATZJUWMSTH-QGZVFWFLSA-N 0 0 503.602 3.289 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000020061294 553675062 /nfs/dbraw/zinc/67/50/62/553675062.db2.gz MHCKLQLFPOWOAY-UHFFFAOYSA-N 0 0 513.591 3.387 40 0 KGABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 ZINC000020080022 553677781 /nfs/dbraw/zinc/67/77/81/553677781.db2.gz CYLDPZHMXJPYPN-WNCULLNHSA-N 0 0 529.645 3.231 40 0 KGABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 ZINC000020080025 553677772 /nfs/dbraw/zinc/67/77/72/553677772.db2.gz CYLDPZHMXJPYPN-HOFKKMOUSA-N 0 0 529.645 3.231 40 0 KGABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 ZINC000020080029 553677778 /nfs/dbraw/zinc/67/77/78/553677778.db2.gz CYLDPZHMXJPYPN-YIXXDRMTSA-N 0 0 529.645 3.231 40 0 KGABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 ZINC000020080032 553677810 /nfs/dbraw/zinc/67/78/10/553677810.db2.gz CYLDPZHMXJPYPN-KCWPFWIISA-N 0 0 529.645 3.231 40 0 KGABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cc(C)ccc4C)CC3)cc2c1 ZINC000020080062 553677800 /nfs/dbraw/zinc/67/78/00/553677800.db2.gz LSMKRYRLLMRJAD-WNCULLNHSA-N 0 0 529.645 3.231 40 0 KGABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cc(C)ccc4C)CC3)cc2c1 ZINC000020080065 553677819 /nfs/dbraw/zinc/67/78/19/553677819.db2.gz LSMKRYRLLMRJAD-HOFKKMOUSA-N 0 0 529.645 3.231 40 0 KGABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cc(C)ccc4C)CC3)cc2c1 ZINC000020080067 553677803 /nfs/dbraw/zinc/67/78/03/553677803.db2.gz LSMKRYRLLMRJAD-YIXXDRMTSA-N 0 0 529.645 3.231 40 0 KGABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cc(C)ccc4C)CC3)cc2c1 ZINC000020080070 553677789 /nfs/dbraw/zinc/67/77/89/553677789.db2.gz LSMKRYRLLMRJAD-KCWPFWIISA-N 0 0 529.645 3.231 40 0 KGABRN COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1 ZINC000020080158 553678117 /nfs/dbraw/zinc/67/81/17/553678117.db2.gz MWSLYPOLHQEXOU-XMMPIXPASA-N 0 0 517.590 3.169 40 0 KGABRN COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1 ZINC000020080162 553678101 /nfs/dbraw/zinc/67/81/01/553678101.db2.gz MWSLYPOLHQEXOU-DEOSSOPVSA-N 0 0 517.590 3.169 40 0 KGABRN COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)c(=O)[nH]c2c1 ZINC000020080235 553678288 /nfs/dbraw/zinc/67/82/88/553678288.db2.gz LDDKMQRXIFTOIF-WNCULLNHSA-N 0 0 529.645 3.231 40 0 KGABRN COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)c(=O)[nH]c2c1 ZINC000020080239 553678309 /nfs/dbraw/zinc/67/83/09/553678309.db2.gz LDDKMQRXIFTOIF-HOFKKMOUSA-N 0 0 529.645 3.231 40 0 KGABRN COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)c(=O)[nH]c2c1 ZINC000020080243 553678320 /nfs/dbraw/zinc/67/83/20/553678320.db2.gz LDDKMQRXIFTOIF-YIXXDRMTSA-N 0 0 529.645 3.231 40 0 KGABRN COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)c(=O)[nH]c2c1 ZINC000020080247 553678274 /nfs/dbraw/zinc/67/82/74/553678274.db2.gz LDDKMQRXIFTOIF-KCWPFWIISA-N 0 0 529.645 3.231 40 0 KGABRN COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2c1 ZINC000020080283 553678331 /nfs/dbraw/zinc/67/83/31/553678331.db2.gz UXLUYMFZTPSXMH-HHHXNRCGSA-N 0 0 523.597 3.189 40 0 KGABRN COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2c1 ZINC000020080286 553678294 /nfs/dbraw/zinc/67/82/94/553678294.db2.gz UXLUYMFZTPSXMH-MHZLTWQESA-N 0 0 523.597 3.189 40 0 KGABRN CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000020080290 553678282 /nfs/dbraw/zinc/67/82/82/553678282.db2.gz PEPGSCMAYAVOFM-DEOSSOPVSA-N 0 0 503.607 3.286 40 0 KGABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000020080294 553678270 /nfs/dbraw/zinc/67/82/70/553678270.db2.gz PEPGSCMAYAVOFM-XMMPIXPASA-N 0 0 503.607 3.286 40 0 KGABRN COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cc(C)ccc4C)CC3)c(=O)[nH]c2c1 ZINC000020080303 553678284 /nfs/dbraw/zinc/67/82/84/553678284.db2.gz QYLQWILLNSKGJU-WNCULLNHSA-N 0 0 529.645 3.231 40 0 KGABRN COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cc(C)ccc4C)CC3)c(=O)[nH]c2c1 ZINC000020080307 553678257 /nfs/dbraw/zinc/67/82/57/553678257.db2.gz QYLQWILLNSKGJU-HOFKKMOUSA-N 0 0 529.645 3.231 40 0 KGABRN COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cc(C)ccc4C)CC3)c(=O)[nH]c2c1 ZINC000020080311 553678291 /nfs/dbraw/zinc/67/82/91/553678291.db2.gz QYLQWILLNSKGJU-YIXXDRMTSA-N 0 0 529.645 3.231 40 0 KGABRN COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cc(C)ccc4C)CC3)c(=O)[nH]c2c1 ZINC000020080314 553678618 /nfs/dbraw/zinc/67/86/18/553678618.db2.gz QYLQWILLNSKGJU-KCWPFWIISA-N 0 0 529.645 3.231 40 0 KGABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCN(C(=O)c4ccco4)CC3)cc2c1 ZINC000020080413 553678587 /nfs/dbraw/zinc/67/85/87/553678587.db2.gz ZCZSGTUPCRWMKI-HSZRJFAPSA-N 0 0 519.606 3.199 40 0 KGABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCN(C(=O)c4ccco4)CC3)cc2c1 ZINC000020080417 553678601 /nfs/dbraw/zinc/67/86/01/553678601.db2.gz ZCZSGTUPCRWMKI-QHCPKHFHSA-N 0 0 519.606 3.199 40 0 KGABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1C[C@@H]1CCCO1)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020080608 553679159 /nfs/dbraw/zinc/67/91/59/553679159.db2.gz XXCNFUPWQWRXFG-NBGIEHNGSA-N 0 0 504.591 3.322 40 0 KGABRN CCN(Cc1ccccc1)[C@H](c1nnnn1C[C@@H]1CCCO1)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020080612 553679059 /nfs/dbraw/zinc/67/90/59/553679059.db2.gz XXCNFUPWQWRXFG-CPJSRVTESA-N 0 0 504.591 3.322 40 0 KGABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000020080651 553679168 /nfs/dbraw/zinc/67/91/68/553679168.db2.gz TXWDWDGXKMQANB-VWLOTQADSA-N 0 0 533.633 3.294 40 0 KGABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000020080655 553679430 /nfs/dbraw/zinc/67/94/30/553679430.db2.gz TXWDWDGXKMQANB-RUZDIDTESA-N 0 0 533.633 3.294 40 0 KGABRN COc1cc2cc([C@H](c3nnnn3C3CCCC3)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2cc1OC ZINC000020080658 553679425 /nfs/dbraw/zinc/67/94/25/553679425.db2.gz FHPMZTFFPXFONQ-AREMUKBSSA-N 0 0 531.617 3.264 40 0 KGABRN COc1cc2cc([C@@H](c3nnnn3C3CCCC3)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2cc1OC ZINC000020080660 553679372 /nfs/dbraw/zinc/67/93/72/553679372.db2.gz FHPMZTFFPXFONQ-SANMLTNESA-N 0 0 531.617 3.264 40 0 KGABRN COc1ccc(Cn2nnnc2[C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)N2CCc3ccccc3C2)cc1 ZINC000020080815 553679475 /nfs/dbraw/zinc/67/94/75/553679475.db2.gz ZXNCMJQDYYTRPP-MHZLTWQESA-N 0 0 522.565 3.448 40 0 KGABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)N2CCc3ccccc3C2)cc1 ZINC000020080818 553679386 /nfs/dbraw/zinc/67/93/86/553679386.db2.gz ZXNCMJQDYYTRPP-HHHXNRCGSA-N 0 0 522.565 3.448 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc(O)cc2)CC1)OCO3 ZINC000020080892 553679636 /nfs/dbraw/zinc/67/96/36/553679636.db2.gz FJEURXAQWDITKO-AREMUKBSSA-N 0 0 529.601 3.366 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc(O)cc2)CC1)OCO3 ZINC000020080895 553679630 /nfs/dbraw/zinc/67/96/30/553679630.db2.gz FJEURXAQWDITKO-SANMLTNESA-N 0 0 529.601 3.366 40 0 KGABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccc(O)cc2)CC1 ZINC000020080898 553679600 /nfs/dbraw/zinc/67/96/00/553679600.db2.gz WDXBFNOKIFRJPQ-DEOSSOPVSA-N 0 0 517.590 3.006 40 0 KGABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccc(O)cc2)CC1 ZINC000020080900 553679703 /nfs/dbraw/zinc/67/97/03/553679703.db2.gz WDXBFNOKIFRJPQ-XMMPIXPASA-N 0 0 517.590 3.006 40 0 KGABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2cccc(OC)c2)CC1 ZINC000020080907 553679614 /nfs/dbraw/zinc/67/96/14/553679614.db2.gz YOCMCTWLSFTUQJ-VWLOTQADSA-N 0 0 531.617 3.309 40 0 KGABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2cccc(OC)c2)CC1 ZINC000020080909 553679611 /nfs/dbraw/zinc/67/96/11/553679611.db2.gz YOCMCTWLSFTUQJ-RUZDIDTESA-N 0 0 531.617 3.309 40 0 KGABRN COc1cccc(N2CCN([C@@H](c3nnnn3C3CCCC3)c3cc4cc5c(cc4[nH]c3=O)OCO5)CC2)c1 ZINC000020080912 553679595 /nfs/dbraw/zinc/67/95/95/553679595.db2.gz WKMFRULXOQMWKQ-AREMUKBSSA-N 0 0 529.601 3.279 40 0 KGABRN COc1cccc(N2CCN([C@H](c3nnnn3C3CCCC3)c3cc4cc5c(cc4[nH]c3=O)OCO5)CC2)c1 ZINC000020080915 553679683 /nfs/dbraw/zinc/67/96/83/553679683.db2.gz WKMFRULXOQMWKQ-SANMLTNESA-N 0 0 529.601 3.279 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2)CC1)OCO3 ZINC000020081024 553679966 /nfs/dbraw/zinc/67/99/66/553679966.db2.gz FYULKVZGTCDZKG-HHHXNRCGSA-N 0 0 521.581 3.203 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2)CC1)OCO3 ZINC000020081026 553679952 /nfs/dbraw/zinc/67/99/52/553679952.db2.gz FYULKVZGTCDZKG-MHZLTWQESA-N 0 0 521.581 3.203 40 0 KGABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccccc2)CC1 ZINC000020081029 553679960 /nfs/dbraw/zinc/67/99/60/553679960.db2.gz SLKGTKNZRLQISL-DEOSSOPVSA-N 0 0 501.591 3.300 40 0 KGABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccccc2)CC1 ZINC000020081032 553679942 /nfs/dbraw/zinc/67/99/42/553679942.db2.gz SLKGTKNZRLQISL-XMMPIXPASA-N 0 0 501.591 3.300 40 0 KGABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccccc2F)CC1 ZINC000020081042 553680048 /nfs/dbraw/zinc/68/00/48/553680048.db2.gz CVKPWNRIFBTDIR-DEOSSOPVSA-N 0 0 519.581 3.439 40 0 KGABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccccc2F)CC1 ZINC000020081046 553679990 /nfs/dbraw/zinc/67/99/90/553679990.db2.gz CVKPWNRIFBTDIR-XMMPIXPASA-N 0 0 519.581 3.439 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1)OCO3 ZINC000020081050 553679982 /nfs/dbraw/zinc/67/99/82/553679982.db2.gz GCIVRKIIVTXUSL-RUZDIDTESA-N 0 0 517.565 3.409 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1)OCO3 ZINC000020081053 553679978 /nfs/dbraw/zinc/67/99/78/553679978.db2.gz GCIVRKIIVTXUSL-VWLOTQADSA-N 0 0 517.565 3.409 40 0 KGABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccc(F)cc2)CC1 ZINC000020081056 553679945 /nfs/dbraw/zinc/67/99/45/553679945.db2.gz JGDGHQDYYKZZSA-DEOSSOPVSA-N 0 0 519.581 3.439 40 0 KGABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccc(F)cc2)CC1 ZINC000020081059 553679938 /nfs/dbraw/zinc/67/99/38/553679938.db2.gz JGDGHQDYYKZZSA-XMMPIXPASA-N 0 0 519.581 3.439 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)N1CCN(c2ccc(F)cc2)CC1)OCO3 ZINC000020081063 553680004 /nfs/dbraw/zinc/68/00/04/553680004.db2.gz ZAQJGSKKRUTKFE-RUZDIDTESA-N 0 0 517.565 3.409 40 0 KGABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccc(F)cc2)CC1)OCO3 ZINC000020081066 553679969 /nfs/dbraw/zinc/67/99/69/553679969.db2.gz ZAQJGSKKRUTKFE-VWLOTQADSA-N 0 0 517.565 3.409 40 0 KGABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccccc2OC)CC1 ZINC000020081070 553679996 /nfs/dbraw/zinc/67/99/96/553679996.db2.gz GRAQJXCSHQSNKK-VWLOTQADSA-N 0 0 531.617 3.309 40 0 KGABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccccc2OC)CC1 ZINC000020081074 553680008 /nfs/dbraw/zinc/68/00/08/553680008.db2.gz GRAQJXCSHQSNKK-RUZDIDTESA-N 0 0 531.617 3.309 40 0 KGABRN 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COc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000020486590 553659199 /nfs/dbraw/zinc/65/91/99/553659199.db2.gz PGGSVYJEDCRLBL-UHFFFAOYSA-N 0 0 521.661 3.048 40 0 KGABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)c1 ZINC000020487258 553659216 /nfs/dbraw/zinc/65/92/16/553659216.db2.gz QUQXTGOJJOTEKU-UHFFFAOYSA-N 0 0 520.608 3.186 40 0 KGABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000020488612 553659829 /nfs/dbraw/zinc/65/98/29/553659829.db2.gz CTCIJCODRJPQPQ-OAHLLOKOSA-N 0 0 518.057 3.137 40 0 KGABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000020488614 553659719 /nfs/dbraw/zinc/65/97/19/553659719.db2.gz CTCIJCODRJPQPQ-HNNXBMFYSA-N 0 0 518.057 3.137 40 0 KGABRN CS(=O)(=O)N1C[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)Oc2ccc(Cl)cc21 ZINC000020488817 553659728 /nfs/dbraw/zinc/65/97/28/553659728.db2.gz UBSBPJSMFFKGNV-IBGZPJMESA-N 0 0 503.930 3.235 40 0 KGABRN CS(=O)(=O)N1C[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)Oc2ccc(Cl)cc21 ZINC000020488819 553659803 /nfs/dbraw/zinc/65/98/03/553659803.db2.gz UBSBPJSMFFKGNV-LJQANCHMSA-N 0 0 503.930 3.235 40 0 KGABRN O=C(C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000020489040 553659764 /nfs/dbraw/zinc/65/97/64/553659764.db2.gz HMLRNJAAIPKMMJ-UHFFFAOYSA-N 0 0 520.493 3.335 40 0 KGABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000020489366 553659704 /nfs/dbraw/zinc/65/97/04/553659704.db2.gz MHDAHTDQLZGZPQ-UHFFFAOYSA-N 0 0 502.014 3.147 40 0 KGABRN COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000020490092 553660293 /nfs/dbraw/zinc/66/02/93/553660293.db2.gz XITKIQPVZPYNAV-UHFFFAOYSA-N 0 0 502.014 3.147 40 0 KGABRN CC[C@H](C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000020493706 553666394 /nfs/dbraw/zinc/66/63/94/553666394.db2.gz NPBSKFJOELYNKE-LJQANCHMSA-N 0 0 518.057 3.219 40 0 KGABRN CC[C@@H](C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000020493707 553666341 /nfs/dbraw/zinc/66/63/41/553666341.db2.gz NPBSKFJOELYNKE-IBGZPJMESA-N 0 0 518.057 3.219 40 0 KGABRN O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1ccc(-n2ccnc2)cc1 ZINC000020494449 553666988 /nfs/dbraw/zinc/66/69/88/553666988.db2.gz MSUMRPCLSQCNBL-UHFFFAOYSA-N 0 0 504.568 3.155 40 0 KGABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000020495090 553667375 /nfs/dbraw/zinc/66/73/75/553667375.db2.gz AURIICKFCQDSAR-UHFFFAOYSA-N 0 0 502.014 3.147 40 0 KGABRN CCCS(=O)(=O)c1c(C(=O)c2ccc(OC)c(OC)c2)n2cccc(N)c2c1S(=O)(=O)CCC ZINC000020595729 553676927 /nfs/dbraw/zinc/67/69/27/553676927.db2.gz PLWVBCVXQYQXLB-UHFFFAOYSA-N 0 0 508.618 3.137 40 0 KGABRN c1ccc2[nH]c(N(CCCN3CCOCC3)Cn3c4ccccc4nc3NCCCN3CCOCC3)nc2c1 ZINC000020635031 553681498 /nfs/dbraw/zinc/68/14/98/553681498.db2.gz WSQUQXBWOLMZOW-UHFFFAOYSA-N 0 0 532.693 3.233 40 0 KGABRN CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000020765612 553697237 /nfs/dbraw/zinc/69/72/37/553697237.db2.gz VQJVBXSXALRYQK-OAQYLSRUSA-N 0 0 523.449 3.140 40 0 KGABRN CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000020765616 553697215 /nfs/dbraw/zinc/69/72/15/553697215.db2.gz VQJVBXSXALRYQK-NRFANRHFSA-N 0 0 523.449 3.140 40 0 KGABRN CCN(CC)C(=O)C1CCN(C(=O)c2ccc(C(=O)N3CCC(C(=O)N(CC)CC)CC3)s2)CC1 ZINC000021085542 553706063 /nfs/dbraw/zinc/70/60/63/553706063.db2.gz QFGVNEZMVKXFOC-UHFFFAOYSA-N 0 0 504.697 3.189 40 0 KGABRN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000021577322 553713328 /nfs/dbraw/zinc/71/33/28/553713328.db2.gz DEEUXFBWVCRRJY-UHFFFAOYSA-N 0 0 501.539 3.459 40 0 KGABRN COC(=O)C1=C(C)NC(COCCN2C(=O)c3ccccc3C2=O)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000021991860 553722629 /nfs/dbraw/zinc/72/26/29/553722629.db2.gz SHDHHSNRYVKCRF-JOCHJYFZSA-N 0 0 524.957 3.214 40 0 KGABRN COC(=O)C1=C(C)NC(COCCN2C(=O)c3ccccc3C2=O)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000021991863 553722572 /nfs/dbraw/zinc/72/25/72/553722572.db2.gz SHDHHSNRYVKCRF-QFIPXVFZSA-N 0 0 524.957 3.214 40 0 KGABRN CCCC(=O)[C@@H](CCc1ccccc1)[NH2+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000021992217 553722687 /nfs/dbraw/zinc/72/26/87/553722687.db2.gz QWVQEWHMKWHNNV-QHAWAJNXSA-N 0 0 527.584 3.240 40 0 KGABRN CCCC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000021992220 553722655 /nfs/dbraw/zinc/72/26/55/553722655.db2.gz QWVQEWHMKWHNNV-PCCBWWKXSA-N 0 0 527.584 3.240 40 0 KGABRN CCCC(=O)[C@@H](CCc1ccccc1)[NH2+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000021992223 553722620 /nfs/dbraw/zinc/72/26/20/553722620.db2.gz QWVQEWHMKWHNNV-HKBOAZHASA-N 0 0 527.584 3.240 40 0 KGABRN CCCC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000021992226 553722633 /nfs/dbraw/zinc/72/26/33/553722633.db2.gz QWVQEWHMKWHNNV-ACRUOGEOSA-N 0 0 527.584 3.240 40 0 KGABRN O=C(OCc1ccccc1)N1CCN(C(=O)Oc2c3[nH]ccnc-3c(=O)n2-c2ccc(Cl)cn2)CC1 ZINC000022050408 553723266 /nfs/dbraw/zinc/72/32/66/553723266.db2.gz CBGJKTZVYOTBQN-QFIPXVFZSA-N 0 0 508.922 3.275 40 0 in-vitro KGABRN O=C(OCc1ccccc1)N1CCN(C(=O)Oc2c3[nH]ccnc-3c(=O)n2-c2ccc(Cl)cn2)CC1 ZINC000022050413 553723604 /nfs/dbraw/zinc/72/36/04/553723604.db2.gz CBGJKTZVYOTBQN-JOCHJYFZSA-N 0 0 508.922 3.275 40 0 in-vitro KGABRN C[C@H](c1nc2ccccc2c(N2CCOCC2)n1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000022053269 553724530 /nfs/dbraw/zinc/72/45/30/553724530.db2.gz JSNUAGGSXZBNPC-GOSISDBHSA-N 0 0 502.040 3.187 40 0 KGABRN C[C@@H](c1nc2ccccc2c(N2CCOCC2)n1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000022053274 553724516 /nfs/dbraw/zinc/72/45/16/553724516.db2.gz JSNUAGGSXZBNPC-SFHVURJKSA-N 0 0 502.040 3.187 40 0 KGABRN CCCc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4c(N4CCOCC4)n3)CC2)cc1 ZINC000022053364 553724761 /nfs/dbraw/zinc/72/47/61/553724761.db2.gz ZPKCWEAJYLTKCG-NRFANRHFSA-N 0 0 509.676 3.486 40 0 KGABRN CCCc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(N4CCOCC4)n3)CC2)cc1 ZINC000022053368 553724771 /nfs/dbraw/zinc/72/47/71/553724771.db2.gz ZPKCWEAJYLTKCG-OAQYLSRUSA-N 0 0 509.676 3.486 40 0 KGABRN Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(N3CC[NH+](CC(=O)[O-])CC3)nc(C)n2)s1 ZINC000022055422 553724777 /nfs/dbraw/zinc/72/47/77/553724777.db2.gz VMCDXJFWSYUNPO-UHFFFAOYSA-N 0 0 502.000 3.406 40 0 in-vitro KGABRN Cc1cc(O)cc(Cl)c1NC(=O)c1cnc(Nc2cc(N3CCN(CCO)CC3)nc(C)n2)s1 ZINC000022060324 553725159 /nfs/dbraw/zinc/72/51/59/553725159.db2.gz YYTXGSVGHHVHNZ-UHFFFAOYSA-N 0 0 504.016 3.019 40 0 in-vitro KGABRN CCOc1cc(CNn2c(-c3ccccc3OC)n[nH]c2=S)cc(Br)c1OCC(N)=O ZINC000022110914 553726720 /nfs/dbraw/zinc/72/67/20/553726720.db2.gz ZYPDGZGLLQMWKM-UHFFFAOYSA-N 0 0 508.398 3.385 40 0 KGABRN CCOC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 ZINC000022227889 553727667 /nfs/dbraw/zinc/72/76/67/553727667.db2.gz CYIBZCWWZJDQEV-UHFFFAOYSA-N 0 0 509.650 3.387 40 0 KGABRN O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)Nc1ccccc1Br ZINC000022228893 553727718 /nfs/dbraw/zinc/72/77/18/553727718.db2.gz JJJZMRUKPGIMGF-UHFFFAOYSA-N 0 0 508.438 3.358 40 0 KGABRN O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)Nc1cccc(Br)c1 ZINC000022228921 553727722 /nfs/dbraw/zinc/72/77/22/553727722.db2.gz HIRZRBPWOCBMAO-UHFFFAOYSA-N 0 0 508.438 3.358 40 0 KGABRN O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)Nc1ccc(Br)cc1 ZINC000022228949 553727646 /nfs/dbraw/zinc/72/76/46/553727646.db2.gz QALJJJOMOXJBQR-UHFFFAOYSA-N 0 0 508.438 3.358 40 0 KGABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000022229074 553727692 /nfs/dbraw/zinc/72/76/92/553727692.db2.gz WWYRBGXDDJMXSX-UHFFFAOYSA-N 0 0 503.930 3.441 40 0 KGABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000022229367 553727937 /nfs/dbraw/zinc/72/79/37/553727937.db2.gz UQGASBRIJUZSKO-UHFFFAOYSA-N 0 0 507.612 3.348 40 0 KGABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(I)cc2)c1 ZINC000022229803 553727965 /nfs/dbraw/zinc/72/79/65/553727965.db2.gz QEMPWKXDTDERFB-QGZVFWFLSA-N 0 0 500.358 3.400 40 0 KGABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(I)cc2)c1 ZINC000022229805 553727972 /nfs/dbraw/zinc/72/79/72/553727972.db2.gz QEMPWKXDTDERFB-KRWDZBQOSA-N 0 0 500.358 3.400 40 0 KGABRN COc1ccccc1N1CCN(C(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000022231287 553727923 /nfs/dbraw/zinc/72/79/23/553727923.db2.gz QETURFXHBVTAKJ-UHFFFAOYSA-N 0 0 509.628 3.389 40 0 KGABRN CCOC(=O)C1CCN(C(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1 ZINC000022232272 553728484 /nfs/dbraw/zinc/72/84/84/553728484.db2.gz MLDNUGUECQSHDZ-UHFFFAOYSA-N 0 0 509.024 3.487 40 0 KGABRN CCOC(=O)C1CCN(C(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1 ZINC000022233211 553729235 /nfs/dbraw/zinc/72/92/35/553729235.db2.gz KLHKDXUQPRXVDC-UHFFFAOYSA-N 0 0 509.024 3.487 40 0 KGABRN CCOC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000022246421 553729674 /nfs/dbraw/zinc/72/96/74/553729674.db2.gz ZHNVNBMKXOOZQR-LJQANCHMSA-N 0 0 514.431 3.184 40 0 KGABRN CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000022246425 553729742 /nfs/dbraw/zinc/72/97/42/553729742.db2.gz ZHNVNBMKXOOZQR-IBGZPJMESA-N 0 0 514.431 3.184 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3F)CC2)cc1OC ZINC000022246674 553730133 /nfs/dbraw/zinc/73/01/33/553730133.db2.gz WHZGFDSIRJUCCP-QHCPKHFHSA-N 0 0 527.618 3.081 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3F)CC2)cc1OC ZINC000022246677 553730038 /nfs/dbraw/zinc/73/00/38/553730038.db2.gz WHZGFDSIRJUCCP-HSZRJFAPSA-N 0 0 527.618 3.081 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000022246680 553730050 /nfs/dbraw/zinc/73/00/50/553730050.db2.gz USSKVPGFXRTRPZ-DEOSSOPVSA-N 0 0 527.618 3.081 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000022246682 553730116 /nfs/dbraw/zinc/73/01/16/553730116.db2.gz USSKVPGFXRTRPZ-XMMPIXPASA-N 0 0 527.618 3.081 40 0 KGABRN CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000022246743 553730128 /nfs/dbraw/zinc/73/01/28/553730128.db2.gz DHMYQORCCZABNM-OAQYLSRUSA-N 0 0 509.024 3.040 40 0 KGABRN CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000022246746 553730032 /nfs/dbraw/zinc/73/00/32/553730032.db2.gz DHMYQORCCZABNM-NRFANRHFSA-N 0 0 509.024 3.040 40 0 KGABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022246888 553730124 /nfs/dbraw/zinc/73/01/24/553730124.db2.gz TXNRQQDEMLIZLU-VWLOTQADSA-N 0 0 507.656 3.238 40 0 KGABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022246892 553730079 /nfs/dbraw/zinc/73/00/79/553730079.db2.gz TXNRQQDEMLIZLU-RUZDIDTESA-N 0 0 507.656 3.238 40 0 KGABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000022246904 553730118 /nfs/dbraw/zinc/73/01/18/553730118.db2.gz SNKRPAWVILBSIT-QHCPKHFHSA-N 0 0 511.619 3.381 40 0 KGABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000022246908 553730135 /nfs/dbraw/zinc/73/01/35/553730135.db2.gz SNKRPAWVILBSIT-HSZRJFAPSA-N 0 0 511.619 3.381 40 0 KGABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000022246913 553730054 /nfs/dbraw/zinc/73/00/54/553730054.db2.gz STJAREJQODFWGH-DEOSSOPVSA-N 0 0 511.619 3.381 40 0 KGABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000022246917 553730120 /nfs/dbraw/zinc/73/01/20/553730120.db2.gz STJAREJQODFWGH-XMMPIXPASA-N 0 0 511.619 3.381 40 0 KGABRN COc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000022246927 553730341 /nfs/dbraw/zinc/73/03/41/553730341.db2.gz ZBQNHGGPBPFAHJ-HSZRJFAPSA-N 0 0 523.655 3.251 40 0 KGABRN COc1ccccc1N1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000022246930 553730347 /nfs/dbraw/zinc/73/03/47/553730347.db2.gz ZBQNHGGPBPFAHJ-QHCPKHFHSA-N 0 0 523.655 3.251 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1C ZINC000022247217 553730252 /nfs/dbraw/zinc/73/02/52/553730252.db2.gz PIKHQJDKJYBPRL-SANMLTNESA-N 0 0 507.656 3.238 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1C ZINC000022247220 553730314 /nfs/dbraw/zinc/73/03/14/553730314.db2.gz PIKHQJDKJYBPRL-AREMUKBSSA-N 0 0 507.656 3.238 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3F)CC2)cc1C ZINC000022247230 553730225 /nfs/dbraw/zinc/73/02/25/553730225.db2.gz NQUIFWALNYMOOZ-DEOSSOPVSA-N 0 0 511.619 3.381 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3F)CC2)cc1C ZINC000022247232 553730690 /nfs/dbraw/zinc/73/06/90/553730690.db2.gz NQUIFWALNYMOOZ-XMMPIXPASA-N 0 0 511.619 3.381 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000022247236 553730661 /nfs/dbraw/zinc/73/06/61/553730661.db2.gz AEWONJVRRLIPPV-VWLOTQADSA-N 0 0 511.619 3.381 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000022247239 553730626 /nfs/dbraw/zinc/73/06/26/553730626.db2.gz AEWONJVRRLIPPV-RUZDIDTESA-N 0 0 511.619 3.381 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3OC)CC2)cc1C ZINC000022247248 553730635 /nfs/dbraw/zinc/73/06/35/553730635.db2.gz IXZNIRPUNWREQT-DEOSSOPVSA-N 0 0 523.655 3.251 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3OC)CC2)cc1C ZINC000022247251 553730538 /nfs/dbraw/zinc/73/05/38/553730538.db2.gz IXZNIRPUNWREQT-XMMPIXPASA-N 0 0 523.655 3.251 40 0 KGABRN CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)c(C)c2)CC1 ZINC000022247374 553730600 /nfs/dbraw/zinc/73/06/00/553730600.db2.gz NXOLVOWNTLTMDL-HSZRJFAPSA-N 0 0 502.633 3.085 40 0 KGABRN CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)c(C)c2)CC1 ZINC000022247377 553730697 /nfs/dbraw/zinc/73/06/97/553730697.db2.gz NXOLVOWNTLTMDL-QHCPKHFHSA-N 0 0 502.633 3.085 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022247713 553730767 /nfs/dbraw/zinc/73/07/67/553730767.db2.gz BPTHYTWGAPZVTD-MHZLTWQESA-N 0 0 507.656 3.319 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022247716 553730787 /nfs/dbraw/zinc/73/07/87/553730787.db2.gz BPTHYTWGAPZVTD-HHHXNRCGSA-N 0 0 507.656 3.319 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000022247725 553730756 /nfs/dbraw/zinc/73/07/56/553730756.db2.gz XBJWBIRYARFUFW-VWLOTQADSA-N 0 0 511.619 3.463 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000022247728 553730795 /nfs/dbraw/zinc/73/07/95/553730795.db2.gz XBJWBIRYARFUFW-RUZDIDTESA-N 0 0 511.619 3.463 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022247730 553730822 /nfs/dbraw/zinc/73/08/22/553730822.db2.gz DZVDWGGJTUFIRN-SANMLTNESA-N 0 0 511.619 3.463 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022247733 553730836 /nfs/dbraw/zinc/73/08/36/553730836.db2.gz DZVDWGGJTUFIRN-AREMUKBSSA-N 0 0 511.619 3.463 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000022247740 553730774 /nfs/dbraw/zinc/73/07/74/553730774.db2.gz YEJMTOVHGBKFQG-VWLOTQADSA-N 0 0 523.655 3.332 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000022247743 553730844 /nfs/dbraw/zinc/73/08/44/553730844.db2.gz YEJMTOVHGBKFQG-RUZDIDTESA-N 0 0 523.655 3.332 40 0 KGABRN CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)c(Cl)c2)CC1 ZINC000022248126 553731130 /nfs/dbraw/zinc/73/11/30/553731130.db2.gz OPZATMWTRWSBNZ-JOCHJYFZSA-N 0 0 523.051 3.430 40 0 KGABRN CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)c(Cl)c2)CC1 ZINC000022248131 553731190 /nfs/dbraw/zinc/73/11/90/553731190.db2.gz OPZATMWTRWSBNZ-QFIPXVFZSA-N 0 0 523.051 3.430 40 0 KGABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc(OC)c(OC)cc1C(=O)OC ZINC000022249010 553731439 /nfs/dbraw/zinc/73/14/39/553731439.db2.gz BYOSXVFVMZHMKR-UHFFFAOYSA-N 0 0 514.984 3.192 40 0 KGABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1ccc(Br)cc1F ZINC000022250078 553731712 /nfs/dbraw/zinc/73/17/12/553731712.db2.gz LFTXMZGYCHYSAL-UHFFFAOYSA-N 0 0 507.765 3.280 40 0 KGABRN CCCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)cc1 ZINC000022250374 553731695 /nfs/dbraw/zinc/73/16/95/553731695.db2.gz JLRZJXQLRXBIGN-UHFFFAOYSA-N 0 0 510.996 3.335 40 0 KGABRN COc1cc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)c(OC)cc1Cl ZINC000022250378 553731665 /nfs/dbraw/zinc/73/16/65/553731665.db2.gz LJFQJIQYSSTUIX-UHFFFAOYSA-N 0 0 505.376 3.049 40 0 KGABRN C[C@@H](NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)c1ccc(Br)cc1 ZINC000022250441 553731729 /nfs/dbraw/zinc/73/17/29/553731729.db2.gz CYLNCMPHMJEILR-CQSZACIVSA-N 0 0 517.829 3.380 40 0 KGABRN C[C@H](NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)c1ccc(Br)cc1 ZINC000022250445 553731597 /nfs/dbraw/zinc/73/15/97/553731597.db2.gz CYLNCMPHMJEILR-AWEZNQCLSA-N 0 0 517.829 3.380 40 0 KGABRN C[C@@H](NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)c1cccc(Br)c1 ZINC000022250484 553731670 /nfs/dbraw/zinc/73/16/70/553731670.db2.gz CUMGHZQCYXVTTC-CQSZACIVSA-N 0 0 517.829 3.380 40 0 KGABRN C[C@H](NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)c1cccc(Br)c1 ZINC000022250488 553731740 /nfs/dbraw/zinc/73/17/40/553731740.db2.gz CUMGHZQCYXVTTC-AWEZNQCLSA-N 0 0 517.829 3.380 40 0 KGABRN COc1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(N(C)S(C)(=O)=O)cc1OC ZINC000022251451 553731588 /nfs/dbraw/zinc/73/15/88/553731588.db2.gz AJBZRZMWHLSDQU-UHFFFAOYSA-N 0 0 501.527 3.081 40 0 KGABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(I)cc1)S(C)(=O)=O ZINC000022251939 553731654 /nfs/dbraw/zinc/73/16/54/553731654.db2.gz FKCPWQQZESBYJH-UHFFFAOYSA-N 0 0 504.346 3.347 40 0 KGABRN CCN(c1cc(OC)c(OC)cc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)S(C)(=O)=O ZINC000022252344 553731674 /nfs/dbraw/zinc/73/16/74/553731674.db2.gz HCZFMTCOHYALBZ-UHFFFAOYSA-N 0 0 515.554 3.471 40 0 KGABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(I)cc1 ZINC000022252687 553731634 /nfs/dbraw/zinc/73/16/34/553731634.db2.gz ZVCLIMPGRPITBO-UHFFFAOYSA-N 0 0 504.346 3.347 40 0 KGABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000022253092 553731900 /nfs/dbraw/zinc/73/19/00/553731900.db2.gz QLLZQFBHEGFEMF-UHFFFAOYSA-N 0 0 515.554 3.471 40 0 KGABRN CCOC(=O)C1CCN(C(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000022253615 553731889 /nfs/dbraw/zinc/73/18/89/553731889.db2.gz BCARNZLJIMJQFH-UHFFFAOYSA-N 0 0 504.605 3.085 40 0 KGABRN COc1cc(C(=O)NCCCn2ccnc2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000022254192 553732406 /nfs/dbraw/zinc/73/24/06/553732406.db2.gz LCRYZNUHKUEEOS-UHFFFAOYSA-N 0 0 507.012 3.340 40 0 KGABRN COc1cc(C(=O)Nc2ccc(C(N)=O)cc2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254551 553732864 /nfs/dbraw/zinc/73/28/64/553732864.db2.gz NPLFVCADPJPQRP-UHFFFAOYSA-N 0 0 501.536 3.160 40 0 KGABRN CCOC(=O)C1CCN(C(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)CC1 ZINC000022254590 553732910 /nfs/dbraw/zinc/73/29/10/553732910.db2.gz IFTAHKYGTMZUQU-UHFFFAOYSA-N 0 0 522.595 3.224 40 0 KGABRN COc1cc(C(=O)NCc2ccc3c(c2)OCO3)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254623 553732869 /nfs/dbraw/zinc/73/28/69/553732869.db2.gz BTOLVNAISGTORE-UHFFFAOYSA-N 0 0 516.547 3.468 40 0 KGABRN COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(I)cc3)n2)cc1OC ZINC000022257924 553733644 /nfs/dbraw/zinc/73/36/44/553733644.db2.gz FBMCGBCPRUYMQA-UHFFFAOYSA-N 0 0 509.300 3.396 40 0 KGABRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(I)cc1 ZINC000022264995 553733702 /nfs/dbraw/zinc/73/37/02/553733702.db2.gz ZUZWDWRJOVYABC-SNVBAGLBSA-N 0 0 509.163 3.359 40 0 KGABRN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(I)cc1 ZINC000022265000 553733760 /nfs/dbraw/zinc/73/37/60/553733760.db2.gz ZUZWDWRJOVYABC-JTQLQIEISA-N 0 0 509.163 3.359 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl ZINC000022269697 553734475 /nfs/dbraw/zinc/73/44/75/553734475.db2.gz CARREDFZNILYPD-NRFANRHFSA-N 0 0 501.992 3.366 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl ZINC000022269700 553734477 /nfs/dbraw/zinc/73/44/77/553734477.db2.gz CARREDFZNILYPD-OAQYLSRUSA-N 0 0 501.992 3.366 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000022271266 553734730 /nfs/dbraw/zinc/73/47/30/553734730.db2.gz DLTCYEVGOAETNY-DEOSSOPVSA-N 0 0 512.628 3.351 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000022271269 553734666 /nfs/dbraw/zinc/73/46/66/553734666.db2.gz DLTCYEVGOAETNY-XMMPIXPASA-N 0 0 512.628 3.351 40 0 KGABRN CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)c1cccc(Br)c1 ZINC000022273328 553734953 /nfs/dbraw/zinc/73/49/53/553734953.db2.gz KQWWMSKUZOALJR-UHFFFAOYSA-N 0 0 509.163 3.458 40 0 KGABRN CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)c1ccc(Br)cc1 ZINC000022273359 553734912 /nfs/dbraw/zinc/73/49/12/553734912.db2.gz MRFUKVVODUPRHY-UHFFFAOYSA-N 0 0 509.163 3.458 40 0 KGABRN COc1cccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000022305393 553736847 /nfs/dbraw/zinc/73/68/47/553736847.db2.gz LYVNSGAGXFYDPM-SFHVURJKSA-N 0 0 502.614 3.171 40 0 KGABRN COc1cccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000022305397 553736884 /nfs/dbraw/zinc/73/68/84/553736884.db2.gz LYVNSGAGXFYDPM-GOSISDBHSA-N 0 0 502.614 3.171 40 0 KGABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022305873 553736840 /nfs/dbraw/zinc/73/68/40/553736840.db2.gz XRJWTHDPPICPDU-SFHVURJKSA-N 0 0 502.614 3.171 40 0 KGABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022305877 553736879 /nfs/dbraw/zinc/73/68/79/553736879.db2.gz XRJWTHDPPICPDU-GOSISDBHSA-N 0 0 502.614 3.171 40 0 KGABRN COc1ccc(C)cc1N(CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccccc1 ZINC000022309776 553736863 /nfs/dbraw/zinc/73/68/63/553736863.db2.gz BXMUIBPQKLZRSD-IBGZPJMESA-N 0 0 516.641 3.480 40 0 KGABRN COc1ccc(C)cc1N(CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccccc1 ZINC000022309781 553736844 /nfs/dbraw/zinc/73/68/44/553736844.db2.gz BXMUIBPQKLZRSD-LJQANCHMSA-N 0 0 516.641 3.480 40 0 KGABRN COc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccccc1 ZINC000022313105 553737164 /nfs/dbraw/zinc/73/71/64/553737164.db2.gz DYUMMXZZZNDZJJ-SFHVURJKSA-N 0 0 502.614 3.171 40 0 KGABRN COc1ccccc1N(CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccccc1 ZINC000022313111 553737050 /nfs/dbraw/zinc/73/70/50/553737050.db2.gz DYUMMXZZZNDZJJ-GOSISDBHSA-N 0 0 502.614 3.171 40 0 KGABRN COc1cccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022321500 553737429 /nfs/dbraw/zinc/73/74/29/553737429.db2.gz MHYGHYFQIZBXFN-IBGZPJMESA-N 0 0 516.641 3.480 40 0 KGABRN COc1cccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022321504 553737343 /nfs/dbraw/zinc/73/73/43/553737343.db2.gz MHYGHYFQIZBXFN-LJQANCHMSA-N 0 0 516.641 3.480 40 0 KGABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022321915 553737394 /nfs/dbraw/zinc/73/73/94/553737394.db2.gz RMWLTWAUSHIGEM-IBGZPJMESA-N 0 0 516.641 3.480 40 0 KGABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022321920 553737401 /nfs/dbraw/zinc/73/74/01/553737401.db2.gz RMWLTWAUSHIGEM-LJQANCHMSA-N 0 0 516.641 3.480 40 0 KGABRN C[C@@H](NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022338477 553737815 /nfs/dbraw/zinc/73/78/15/553737815.db2.gz PTZSQFGBMJEGRN-GFCCVEGCSA-N 0 0 512.959 3.406 40 0 KGABRN C[C@H](NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022338480 553737818 /nfs/dbraw/zinc/73/78/18/553737818.db2.gz PTZSQFGBMJEGRN-LBPRGKRZSA-N 0 0 512.959 3.406 40 0 KGABRN C[C@@H](NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022341558 553737780 /nfs/dbraw/zinc/73/77/80/553737780.db2.gz CNHOZXWUEVVNJS-GFCCVEGCSA-N 0 0 512.959 3.406 40 0 KGABRN C[C@H](NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022341563 553737644 /nfs/dbraw/zinc/73/76/44/553737644.db2.gz CNHOZXWUEVVNJS-LBPRGKRZSA-N 0 0 512.959 3.406 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)cc1 ZINC000022343650 553737787 /nfs/dbraw/zinc/73/77/87/553737787.db2.gz ITLRMHRAABBFFL-SFHVURJKSA-N 0 0 502.614 3.171 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)cc1 ZINC000022343656 553737738 /nfs/dbraw/zinc/73/77/38/553737738.db2.gz ITLRMHRAABBFFL-GOSISDBHSA-N 0 0 502.614 3.171 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccc(C)cc2)cc1 ZINC000022346025 553737949 /nfs/dbraw/zinc/73/79/49/553737949.db2.gz RRIIRLDJPCYTBE-IBGZPJMESA-N 0 0 516.641 3.480 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccc(C)cc2)cc1 ZINC000022346030 553737998 /nfs/dbraw/zinc/73/79/98/553737998.db2.gz RRIIRLDJPCYTBE-LJQANCHMSA-N 0 0 516.641 3.480 40 0 KGABRN COc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022362543 553738310 /nfs/dbraw/zinc/73/83/10/553738310.db2.gz ODVFXGBTHSLIMY-IBGZPJMESA-N 0 0 516.641 3.480 40 0 KGABRN COc1ccccc1N(CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022362545 553738339 /nfs/dbraw/zinc/73/83/39/553738339.db2.gz ODVFXGBTHSLIMY-LJQANCHMSA-N 0 0 516.641 3.480 40 0 KGABRN C[C@@H](NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022367965 553738329 /nfs/dbraw/zinc/73/83/29/553738329.db2.gz HWLNBNSJQQNVQA-LJQANCHMSA-N 0 0 516.641 3.313 40 0 KGABRN C[C@H](NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022367968 553738321 /nfs/dbraw/zinc/73/83/21/553738321.db2.gz HWLNBNSJQQNVQA-IBGZPJMESA-N 0 0 516.641 3.313 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccc(F)cc2)cc1 ZINC000022369909 553738264 /nfs/dbraw/zinc/73/82/64/553738264.db2.gz IWTLHULVEMKLLA-KRWDZBQOSA-N 0 0 520.604 3.311 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccc(F)cc2)cc1 ZINC000022369914 553738342 /nfs/dbraw/zinc/73/83/42/553738342.db2.gz IWTLHULVEMKLLA-QGZVFWFLSA-N 0 0 520.604 3.311 40 0 KGABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000022427804 553738651 /nfs/dbraw/zinc/73/86/51/553738651.db2.gz UQCOFMKUTDMILH-UHFFFAOYSA-N 0 0 517.629 3.216 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)NCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1 ZINC000022428860 553739226 /nfs/dbraw/zinc/73/92/26/553739226.db2.gz NXWVMGONJBJKNX-UHFFFAOYSA-N 0 0 500.573 3.233 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000022428872 553739230 /nfs/dbraw/zinc/73/92/30/553739230.db2.gz WWKYOKXNFPPBDR-UHFFFAOYSA-N 0 0 506.584 3.401 40 0 KGABRN COc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000022428985 553739399 /nfs/dbraw/zinc/73/93/99/553739399.db2.gz HQPRZTUZGBCHDP-UHFFFAOYSA-N 0 0 506.584 3.401 40 0 KGABRN COc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000022428989 553739443 /nfs/dbraw/zinc/73/94/43/553739443.db2.gz BIEYWRJKBRWKIF-UHFFFAOYSA-N 0 0 506.584 3.401 40 0 KGABRN CC(C)Oc1ccc(CNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 ZINC000022513531 553743287 /nfs/dbraw/zinc/74/32/87/553743287.db2.gz RCAMXOAYKJTEAV-UHFFFAOYSA-N 0 0 502.374 3.161 40 0 KGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000022515263 553743703 /nfs/dbraw/zinc/74/37/03/553743703.db2.gz PWJNAWZPAGGKDV-UHFFFAOYSA-N 0 0 523.677 3.182 40 0 KGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000022516893 553743923 /nfs/dbraw/zinc/74/39/23/553743923.db2.gz XDKJUQKXVODTKO-UHFFFAOYSA-N 0 0 521.661 3.215 40 0 KGABRN COc1ccc(CNC(=O)c2ccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)cc1OC ZINC000022527450 553744923 /nfs/dbraw/zinc/74/49/23/553744923.db2.gz BDYOVRMEUCFCPU-UHFFFAOYSA-N 0 0 509.628 3.140 40 0 KGABRN COc1ccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000022532053 553745465 /nfs/dbraw/zinc/74/54/65/553745465.db2.gz FCMLOSQACCOHMX-UHFFFAOYSA-N 0 0 518.563 3.372 40 0 KGABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022802500 553751030 /nfs/dbraw/zinc/75/10/30/553751030.db2.gz DSWIQCVIXIHHHV-MHZLTWQESA-N 0 0 543.628 3.274 40 0 KGABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022802505 553751164 /nfs/dbraw/zinc/75/11/64/553751164.db2.gz DSWIQCVIXIHHHV-HHHXNRCGSA-N 0 0 543.628 3.274 40 0 KGABRN CCCn1nnnc1NC(=S)NC(=O)C=Cc1cc(Br)cc(Br)c1OC ZINC000022827757 553753588 /nfs/dbraw/zinc/75/35/88/553753588.db2.gz LWLUHSHCGSVJPB-SNAWJCMRSA-N 0 0 504.208 3.143 40 0 KGABRN COc1ccc(N2C(=O)C[C@@H](C(=O)Nc3cccc(OC)c3)N(NC(=O)c3ccccc3)C2=S)cc1 ZINC000022828136 553753887 /nfs/dbraw/zinc/75/38/87/553753887.db2.gz ZNLVCVBHWNTPBI-QFIPXVFZSA-N 0 0 504.568 3.380 40 0 KGABRN COc1ccc(N2C(=O)C[C@H](C(=O)Nc3cccc(OC)c3)N(NC(=O)c3ccccc3)C2=S)cc1 ZINC000022828139 553753867 /nfs/dbraw/zinc/75/38/67/553753867.db2.gz ZNLVCVBHWNTPBI-JOCHJYFZSA-N 0 0 504.568 3.380 40 0 KGABRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)COc3ccc(Br)cc3)cc2)CC1 ZINC000022829477 553754363 /nfs/dbraw/zinc/75/43/63/553754363.db2.gz LTSSJTSHSLOOEM-UHFFFAOYSA-N 0 0 505.438 3.400 40 0 KGABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccncc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000022835475 553756833 /nfs/dbraw/zinc/75/68/33/553756833.db2.gz NVNAIJREYDDYOT-BLJGQIRFSA-N 0 0 511.559 3.059 40 0 KGABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccncc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000022835479 553756845 /nfs/dbraw/zinc/75/68/45/553756845.db2.gz NVNAIJREYDDYOT-MLJBDGAYSA-N 0 0 511.559 3.059 40 0 KGABRN O=C([C@@H]1COc2ccccc2O1)N1CCN([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 ZINC000022837745 553757534 /nfs/dbraw/zinc/75/75/34/553757534.db2.gz SPDVKWCZFOOTDR-BVAGGSTKSA-N 0 0 513.550 3.095 40 0 KGABRN O=C([C@H]1COc2ccccc2O1)N1CCN([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 ZINC000022837755 553757614 /nfs/dbraw/zinc/75/76/14/553757614.db2.gz SPDVKWCZFOOTDR-ZEQKJWHPSA-N 0 0 513.550 3.095 40 0 KGABRN COc1cccc(OC)c1C(=O)NC(=S)N(Cc1ccc(OCC(N)=O)c(OC)c1)C1CCCCC1 ZINC000022840142 553758362 /nfs/dbraw/zinc/75/83/62/553758362.db2.gz PGOUAKUQVOBCES-UHFFFAOYSA-N 0 0 515.632 3.426 40 0 KGABRN COc1cc(OC)cc(C(=O)NC(=S)N(Cc2ccc(OCC(N)=O)c(OC)c2)C2CCCCC2)c1 ZINC000022840147 553758296 /nfs/dbraw/zinc/75/82/96/553758296.db2.gz IMRGTMLVJDMCRZ-UHFFFAOYSA-N 0 0 515.632 3.426 40 0 KGABRN CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3ccc(C(=O)OC)cc3)sc2=N1 ZINC000022844985 553760108 /nfs/dbraw/zinc/76/01/08/553760108.db2.gz NIRBBDITDAUZTA-WLGHQHAYSA-N 0 0 520.607 3.374 40 0 KGABRN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3ccc(C(=O)OC)cc3)sc2=N1 ZINC000022844991 553760076 /nfs/dbraw/zinc/76/00/76/553760076.db2.gz NIRBBDITDAUZTA-NLZIUFDSSA-N 0 0 520.607 3.374 40 0 KGABRN COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3c(C)nn(-c4ccccc4)c3Cl)c(=O)n12 ZINC000022845464 553760075 /nfs/dbraw/zinc/76/00/75/553760075.db2.gz UOKSJPPSPIZYBA-CVSVFDKQSA-N 0 0 520.998 3.007 40 0 KGABRN COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3c(C)nn(-c4ccccc4)c3Cl)c(=O)n12 ZINC000022845469 553760059 /nfs/dbraw/zinc/76/00/59/553760059.db2.gz UOKSJPPSPIZYBA-PULSBMQZSA-N 0 0 520.998 3.007 40 0 KGABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000022860500 553762612 /nfs/dbraw/zinc/76/26/12/553762612.db2.gz IOLATONWNSFRKW-UHFFFAOYSA-N 0 0 525.602 3.137 40 0 KGABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2F)CC1 ZINC000022860504 553762720 /nfs/dbraw/zinc/76/27/20/553762720.db2.gz KFYDLSMBCVEEOQ-UHFFFAOYSA-N 0 0 525.602 3.137 40 0 KGABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866269 553763489 /nfs/dbraw/zinc/76/34/89/553763489.db2.gz FQDFFPLCIWUFRV-SANMLTNESA-N 0 0 545.644 3.304 40 0 KGABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866328 553763432 /nfs/dbraw/zinc/76/34/32/553763432.db2.gz FQDFFPLCIWUFRV-AREMUKBSSA-N 0 0 545.644 3.304 40 0 KGABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc(OC)cc4)CC3)cc2c1 ZINC000022866433 553763653 /nfs/dbraw/zinc/76/36/53/553763653.db2.gz OWHAYWVVWLONQH-LSYYVWMOSA-N 0 0 543.672 3.172 40 0 KGABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4cccc(OC)c4)CC3)cc2c1 ZINC000022866438 553763801 /nfs/dbraw/zinc/76/38/01/553763801.db2.gz GSFMBFOEZGFOKP-LSYYVWMOSA-N 0 0 543.672 3.172 40 0 KGABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccccc4OC)CC3)cc2c1 ZINC000022866441 553763706 /nfs/dbraw/zinc/76/37/06/553763706.db2.gz CNJWFXZUNUXIKZ-CUBQBAPOSA-N 0 0 543.672 3.172 40 0 KGABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc(OC)cc4)CC3)cc2c1 ZINC000022866452 553763693 /nfs/dbraw/zinc/76/36/93/553763693.db2.gz OWHAYWVVWLONQH-NAKRPHOHSA-N 0 0 543.672 3.172 40 0 KGABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4cccc(OC)c4)CC3)cc2c1 ZINC000022866457 553763688 /nfs/dbraw/zinc/76/36/88/553763688.db2.gz GSFMBFOEZGFOKP-NAKRPHOHSA-N 0 0 543.672 3.172 40 0 KGABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccccc4OC)CC3)cc2c1 ZINC000022866460 553763659 /nfs/dbraw/zinc/76/36/59/553763659.db2.gz CNJWFXZUNUXIKZ-YWEHKCAJSA-N 0 0 543.672 3.172 40 0 KGABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc(OC)cc4)CC3)cc2c1 ZINC000022866546 553764090 /nfs/dbraw/zinc/76/40/90/553764090.db2.gz OWHAYWVVWLONQH-LBNVMWSVSA-N 0 0 543.672 3.172 40 0 KGABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4cccc(OC)c4)CC3)cc2c1 ZINC000022866551 553764148 /nfs/dbraw/zinc/76/41/48/553764148.db2.gz GSFMBFOEZGFOKP-LBNVMWSVSA-N 0 0 543.672 3.172 40 0 KGABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccccc4OC)CC3)cc2c1 ZINC000022866554 553764112 /nfs/dbraw/zinc/76/41/12/553764112.db2.gz CNJWFXZUNUXIKZ-RBJSKKJNSA-N 0 0 543.672 3.172 40 0 KGABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc(OC)cc4)CC3)cc2c1 ZINC000022866568 553764040 /nfs/dbraw/zinc/76/40/40/553764040.db2.gz OWHAYWVVWLONQH-LEAFIULHSA-N 0 0 543.672 3.172 40 0 KGABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4cccc(OC)c4)CC3)cc2c1 ZINC000022866574 553764054 /nfs/dbraw/zinc/76/40/54/553764054.db2.gz GSFMBFOEZGFOKP-LEAFIULHSA-N 0 0 543.672 3.172 40 0 KGABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccccc4OC)CC3)cc2c1 ZINC000022866578 553764181 /nfs/dbraw/zinc/76/41/81/553764181.db2.gz CNJWFXZUNUXIKZ-UFHPHHKVSA-N 0 0 543.672 3.172 40 0 KGABRN COc1ccc(CN2CCN([C@H](c3nnnn3Cc3ccccc3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000022867607 553764311 /nfs/dbraw/zinc/76/43/11/553764311.db2.gz WBILBNQCZMBBGV-LJAQVGFWSA-N 0 0 551.651 3.487 40 0 KGABRN COc1ccc(CN2CCN([C@@H](c3nnnn3Cc3ccccc3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000022867621 553764484 /nfs/dbraw/zinc/76/44/84/553764484.db2.gz WBILBNQCZMBBGV-GDLZYMKVSA-N 0 0 551.651 3.487 40 0 KGABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022869296 553764504 /nfs/dbraw/zinc/76/45/04/553764504.db2.gz SZWMMZNUYSLHFV-LJAQVGFWSA-N 0 0 565.634 3.207 40 0 KGABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022869345 553764335 /nfs/dbraw/zinc/76/43/35/553764335.db2.gz SZWMMZNUYSLHFV-GDLZYMKVSA-N 0 0 565.634 3.207 40 0 KGABRN COc1cccc(CN2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)c1 ZINC000022869777 553765009 /nfs/dbraw/zinc/76/50/09/553765009.db2.gz GJVBGNDACSPKTA-CUBQBAPOSA-N 0 0 543.672 3.226 40 0 KGABRN COc1cccc(CN2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)c1 ZINC000022869792 553764982 /nfs/dbraw/zinc/76/49/82/553764982.db2.gz GJVBGNDACSPKTA-YWEHKCAJSA-N 0 0 543.672 3.226 40 0 KGABRN COc1cccc(CN2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)c1 ZINC000022869855 553765021 /nfs/dbraw/zinc/76/50/21/553765021.db2.gz GJVBGNDACSPKTA-RBJSKKJNSA-N 0 0 543.672 3.226 40 0 KGABRN COc1cccc(CN2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)c1 ZINC000022869869 553764995 /nfs/dbraw/zinc/76/49/95/553764995.db2.gz GJVBGNDACSPKTA-UFHPHHKVSA-N 0 0 543.672 3.226 40 0 KGABRN COc1ccc(CN2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000022870159 553765049 /nfs/dbraw/zinc/76/50/49/553765049.db2.gz WLHXMVIKUBCRSX-LSYYVWMOSA-N 0 0 543.672 3.226 40 0 KGABRN COc1cccc(CN2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1 ZINC000022870165 553765199 /nfs/dbraw/zinc/76/51/99/553765199.db2.gz XVWATLRQLRHRPS-LSYYVWMOSA-N 0 0 543.672 3.226 40 0 KGABRN COc1ccc(CN2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000022870176 553765339 /nfs/dbraw/zinc/76/53/39/553765339.db2.gz 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CC[C@@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)Nc3cc(F)ccc3F)nnc1n(C)c2=O ZINC000033256800 553915921 /nfs/dbraw/zinc/91/59/21/553915921.db2.gz CABWZEMAAQXHAV-GFCCVEGCSA-N 0 0 500.531 3.119 40 0 KGABRN CC[C@H](C)NC(=O)c1ccc2c(c1)n1c(SCC(=O)Nc3cc(F)ccc3F)nnc1n(C)c2=O ZINC000033256801 553915824 /nfs/dbraw/zinc/91/58/24/553915824.db2.gz CABWZEMAAQXHAV-LBPRGKRZSA-N 0 0 500.531 3.119 40 0 KGABRN Cc1ccc(NC(=O)CSc2nnc3n2c2cc(C(=O)NC4CCCC4)ccc2c(=O)n3C)cc1F ZINC000033256835 553915914 /nfs/dbraw/zinc/91/59/14/553915914.db2.gz WZXBHGYJVNCIOO-UHFFFAOYSA-N 0 0 508.579 3.432 40 0 KGABRN Cn1c2nnc(SCC(=O)Nc3cc(F)ccc3F)n2c2cc(C(=O)NC3CCCC3)ccc2c1=O ZINC000033256839 553915947 /nfs/dbraw/zinc/91/59/47/553915947.db2.gz JEFHOBAWZQYVHA-UHFFFAOYSA-N 0 0 512.542 3.263 40 0 KGABRN CC(=O)c1ccc(N2CCN(C(=O)CCc3nnc4n3c3ccccc3c(=O)n4CCCOC(C)C)CC2)cc1 ZINC000033356682 553943600 /nfs/dbraw/zinc/94/36/00/553943600.db2.gz HEFQRWZLXLKVBG-UHFFFAOYSA-N 0 0 544.656 3.343 40 0 KGABRN 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CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000033629365 553965227 /nfs/dbraw/zinc/96/52/27/553965227.db2.gz LVRUKICYGLPKPP-IBGZPJMESA-N 0 0 504.012 3.463 40 0 KGABRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1nc(C)cs1 ZINC000033697687 553968804 /nfs/dbraw/zinc/96/88/04/553968804.db2.gz OCBSBPPAHUDWPC-VQHVLOKHSA-N 0 0 514.633 3.307 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000033722762 553970447 /nfs/dbraw/zinc/97/04/47/553970447.db2.gz VHPNACNYWQJRRT-MGSPXPDISA-N 0 0 508.596 3.300 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000033722764 553970383 /nfs/dbraw/zinc/97/03/83/553970383.db2.gz VHPNACNYWQJRRT-XPCGLTFESA-N 0 0 508.596 3.300 40 0 KGABRN COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2C)cc1 ZINC000033734686 553971045 /nfs/dbraw/zinc/97/10/45/553971045.db2.gz HEMKZHAJLWISPC-QGZVFWFLSA-N 0 0 510.403 3.325 40 0 KGABRN COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2C)cc1 ZINC000033734687 553971069 /nfs/dbraw/zinc/97/10/69/553971069.db2.gz HEMKZHAJLWISPC-KRWDZBQOSA-N 0 0 510.403 3.325 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000033738724 553971371 /nfs/dbraw/zinc/97/13/71/553971371.db2.gz XIWVGDPYHWTJSB-RWTNITNYSA-N 0 0 508.596 3.300 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000033738726 553971383 /nfs/dbraw/zinc/97/13/83/553971383.db2.gz XIWVGDPYHWTJSB-MFUBYVTQSA-N 0 0 508.596 3.300 40 0 KGABRN CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000033743206 553971636 /nfs/dbraw/zinc/97/16/36/553971636.db2.gz XSMAGPKFEQZQAV-GOSISDBHSA-N 0 0 507.975 3.293 40 0 KGABRN CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000033743207 553971556 /nfs/dbraw/zinc/97/15/56/553971556.db2.gz XSMAGPKFEQZQAV-SFHVURJKSA-N 0 0 507.975 3.293 40 0 KGABRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000033756821 553972200 /nfs/dbraw/zinc/97/22/00/553972200.db2.gz AFVWRQFZALQKJC-LJQANCHMSA-N 0 0 504.012 3.463 40 0 KGABRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000033756822 553972067 /nfs/dbraw/zinc/97/20/67/553972067.db2.gz AFVWRQFZALQKJC-IBGZPJMESA-N 0 0 504.012 3.463 40 0 KGABRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000033763193 553972675 /nfs/dbraw/zinc/97/26/75/553972675.db2.gz QVEJICPOQNMZFZ-GOSISDBHSA-N 0 0 520.011 3.163 40 0 KGABRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000033763194 553972665 /nfs/dbraw/zinc/97/26/65/553972665.db2.gz QVEJICPOQNMZFZ-SFHVURJKSA-N 0 0 520.011 3.163 40 0 KGABRN COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2C)cc1 ZINC000033771300 553972982 /nfs/dbraw/zinc/97/29/82/553972982.db2.gz PBVDWWIMKZFKGG-QGZVFWFLSA-N 0 0 510.403 3.325 40 0 KGABRN 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CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C(=O)NC4CCCCC4)[C@@]4(C)C=C[C@@]3(O4)[C@@H]2C(=O)NC(C)(C)C)c1 ZINC000033939844 553979811 /nfs/dbraw/zinc/97/98/11/553979811.db2.gz YWMHZVGITHZNFN-HXSDQTBESA-N 0 0 507.631 3.298 40 0 KGABRN CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccccc4)[C@@]4(C)C=C[C@@]3(O4)[C@H]2C(=O)NC(C)(C)C)c1 ZINC000033939857 553979847 /nfs/dbraw/zinc/97/98/47/553979847.db2.gz FTBHQZYJJZPFRR-ZDLZGESPSA-N 0 0 501.583 3.488 40 0 KGABRN CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccccc4)[C@@]4(C)C=C[C@@]3(O4)[C@@H]2C(=O)NC(C)(C)C)c1 ZINC000033939858 553979789 /nfs/dbraw/zinc/97/97/89/553979789.db2.gz FTBHQZYJJZPFRR-HXSDQTBESA-N 0 0 501.583 3.488 40 0 KGABRN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C(=O)Nc4ccccc4)[C@]4(C)C=C[C@]3(O4)[C@H]2C(=O)NC(C)(C)C)cc1 ZINC000033939861 553979817 /nfs/dbraw/zinc/97/98/17/553979817.db2.gz VYFQTOUUTWNJNX-ARBRFZOISA-N 0 0 517.626 3.332 40 0 KGABRN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C(=O)Nc4ccccc4)[C@@]4(C)C=C[C@@]3(O4)[C@H]2C(=O)NC(C)(C)C)cc1 ZINC000033939862 553979799 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COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccccc3)CC2)Cc2ccccc2)c1 ZINC000034914855 554029935 /nfs/dbraw/zinc/02/99/35/554029935.db2.gz JUUPGUOCCRKIKC-UHFFFAOYSA-N 0 0 523.655 3.239 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000034921205 554031605 /nfs/dbraw/zinc/03/16/05/554031605.db2.gz SGNHMOIAQMRHFS-XOYGFPHKSA-N 0 0 507.568 3.494 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000034921208 554031613 /nfs/dbraw/zinc/03/16/13/554031613.db2.gz SGNHMOIAQMRHFS-YJADQXIJSA-N 0 0 507.568 3.494 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000034930280 554033052 /nfs/dbraw/zinc/03/30/52/554033052.db2.gz BBNJMLBQFTUUIM-XOYGFPHKSA-N 0 0 507.568 3.494 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 ZINC000034930284 554032886 /nfs/dbraw/zinc/03/28/86/554032886.db2.gz BBNJMLBQFTUUIM-YJADQXIJSA-N 0 0 507.568 3.494 40 0 KGABRN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000035145370 554035492 /nfs/dbraw/zinc/03/54/92/554035492.db2.gz IVJGBERAZUMDJM-DQEYMECFSA-N 0 0 518.566 3.315 40 0 in-vitro KGABRN O=C(NC[C@@H]1CCC[C@H](CNC(=O)NC[C@@H]2COc3ccccc3O2)C1)NC[C@H]1COc2ccccc2O1 ZINC000035188699 554040927 /nfs/dbraw/zinc/04/09/27/554040927.db2.gz AQTKQBBZWTYYIO-ZDNVTZCJSA-N 0 0 524.618 3.071 40 0 KGABRN O=C(NC[C@@H]1COc2ccccc2O1)NC[C@H]1CCC[C@H](CNC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000035188701 554041058 /nfs/dbraw/zinc/04/10/58/554041058.db2.gz AQTKQBBZWTYYIO-MYGLTJDJSA-N 0 0 524.618 3.071 40 0 KGABRN COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)Cc2ccccc2)c1 ZINC000035223434 554041955 /nfs/dbraw/zinc/04/19/55/554041955.db2.gz RTNVGYYIZIAOOQ-UHFFFAOYSA-N 0 0 527.618 3.383 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000035240143 554042276 /nfs/dbraw/zinc/04/22/76/554042276.db2.gz IGTUGLIQEYUIFZ-RWTNITNYSA-N 0 0 508.596 3.300 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000035240145 554042149 /nfs/dbraw/zinc/04/21/49/554042149.db2.gz IGTUGLIQEYUIFZ-MFUBYVTQSA-N 0 0 508.596 3.300 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(O)c(OC)c4)c(=O)n32)cc1 ZINC000035264264 554042533 /nfs/dbraw/zinc/04/25/33/554042533.db2.gz UTOGAZKCWMYJFI-MGSPXPDISA-N 0 0 508.596 3.300 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(O)c(OC)c4)c(=O)n32)cc1 ZINC000035264266 554042852 /nfs/dbraw/zinc/04/28/52/554042852.db2.gz UTOGAZKCWMYJFI-XPCGLTFESA-N 0 0 508.596 3.300 40 0 KGABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2c1 ZINC000035316456 554043062 /nfs/dbraw/zinc/04/30/62/554043062.db2.gz FOVCRPSGSUSJKK-UHFFFAOYSA-N 0 0 521.595 3.293 40 0 KGABRN O=C(C=Cc1ccc(Cl)cc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000035351378 554043872 /nfs/dbraw/zinc/04/38/72/554043872.db2.gz YOPSLMVOCQSPLU-FPYGCLRLSA-N 0 0 516.023 3.321 40 0 KGABRN CCCCCCOc1ccc(O[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000035360972 554044321 /nfs/dbraw/zinc/04/43/21/554044321.db2.gz SAIBZJRVPYUMMD-UDEADWOUSA-N 0 0 524.563 3.108 40 0 KGABRN CCCCCCOc1ccc(O[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000035360974 554044331 /nfs/dbraw/zinc/04/43/31/554044331.db2.gz SAIBZJRVPYUMMD-NQUGZWMISA-N 0 0 524.563 3.108 40 0 KGABRN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@H]1CCCO1 ZINC000035363920 554044954 /nfs/dbraw/zinc/04/49/54/554044954.db2.gz LZHWTBSLFVCYEU-XCBJCLFKSA-N 0 0 514.626 3.464 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCC)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000035396216 554047285 /nfs/dbraw/zinc/04/72/85/554047285.db2.gz OZVNXEASGYLWEA-YJADQXIJSA-N 0 0 507.568 3.414 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCC)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000035396218 554047209 /nfs/dbraw/zinc/04/72/09/554047209.db2.gz OZVNXEASGYLWEA-XOYGFPHKSA-N 0 0 507.568 3.414 40 0 KGABRN CN(C)c1ccc(C(=O)N[C@H]2CC(C)(C)[C@@H]3C[C@@](C)(O)CC[C@]23CCC(=O)NCCN2CCOCC2)cc1 ZINC000035442596 554054923 /nfs/dbraw/zinc/05/49/23/554054923.db2.gz YUPHCPRFPDDUPD-RCYOKLDESA-N 0 0 528.738 3.047 40 0 biogenic,in-vitro KGABRN COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n12 ZINC000035677901 554063050 /nfs/dbraw/zinc/06/30/50/554063050.db2.gz JUFYXIYZGZEJSM-DKWQRRFYSA-N 0 0 512.587 3.438 40 0 KGABRN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@H]1c1ccc(O)c(OC)c1 ZINC000035807041 554076014 /nfs/dbraw/zinc/07/60/14/554076014.db2.gz GTSHSTJFTSYFBU-YCWFECCTSA-N 0 0 535.641 3.451 40 0 biogenic,in-vitro KGABRN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1ccc(O)c(OC)c1 ZINC000035807044 554076021 /nfs/dbraw/zinc/07/60/21/554076021.db2.gz GTSHSTJFTSYFBU-WLRFRTQGSA-N 0 0 535.641 3.451 40 0 biogenic,in-vitro KGABRN CCOC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n12 ZINC000036011653 554133019 /nfs/dbraw/zinc/13/30/19/554133019.db2.gz WTWKSECPFDWWKA-UPXYHFGJSA-N 0 0 514.607 3.052 40 0 KGABRN CCOC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n12 ZINC000036011655 554132967 /nfs/dbraw/zinc/13/29/67/554132967.db2.gz WTWKSECPFDWWKA-BQHLWDFWSA-N 0 0 514.607 3.052 40 0 KGABRN COc1ccccc1NC(=O)[C@@H]1[C@H](c2cn(C)nc2C)[C@H](C(=O)Nc2ccccc2OC)C(=O)C[C@@]1(C)O ZINC000036011668 554132960 /nfs/dbraw/zinc/13/29/60/554132960.db2.gz FQWCBUUYKRAPEV-YKKMPQLRSA-N 0 0 520.586 3.063 40 0 KGABRN COc1ccccc1NC(=O)[C@@H]1[C@@H](c2cn(C)nc2C)[C@H](C(=O)Nc2ccccc2OC)C(=O)C[C@@]1(C)O ZINC000036011669 554133046 /nfs/dbraw/zinc/13/30/46/554133046.db2.gz FQWCBUUYKRAPEV-HLPJKERBSA-N 0 0 520.586 3.063 40 0 KGABRN COc1ccccc1NC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)Nc2ccccc2OC)[C@@H]1c1cn(C)nc1C ZINC000036011670 554133015 /nfs/dbraw/zinc/13/30/15/554133015.db2.gz FQWCBUUYKRAPEV-MEWSVHOLSA-N 0 0 520.586 3.063 40 0 KGABRN COc1ccccc1NC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)Nc2ccccc2OC)[C@H]1c1cn(C)nc1C ZINC000036011671 554132987 /nfs/dbraw/zinc/13/29/87/554132987.db2.gz FQWCBUUYKRAPEV-HQQJGFCBSA-N 0 0 520.586 3.063 40 0 KGABRN COc1ccccc1NC(=O)[C@@H]1[C@H](c2cnn(C)c2C)[C@H](C(=O)Nc2ccccc2OC)C(=O)C[C@@]1(C)O ZINC000036011673 554132983 /nfs/dbraw/zinc/13/29/83/554132983.db2.gz SVTVASNUNNYOPG-YKKMPQLRSA-N 0 0 520.586 3.063 40 0 KGABRN COc1ccccc1NC(=O)[C@@H]1[C@@H](c2cnn(C)c2C)[C@H](C(=O)Nc2ccccc2OC)C(=O)C[C@@]1(C)O ZINC000036011675 554132997 /nfs/dbraw/zinc/13/29/97/554132997.db2.gz SVTVASNUNNYOPG-HLPJKERBSA-N 0 0 520.586 3.063 40 0 KGABRN COc1ccccc1NC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)Nc2ccccc2OC)[C@@H]1c1cnn(C)c1C ZINC000036011677 554133036 /nfs/dbraw/zinc/13/30/36/554133036.db2.gz SVTVASNUNNYOPG-MEWSVHOLSA-N 0 0 520.586 3.063 40 0 KGABRN COc1ccccc1NC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)Nc2ccccc2OC)[C@H]1c1cnn(C)c1C ZINC000036011679 554133049 /nfs/dbraw/zinc/13/30/49/554133049.db2.gz SVTVASNUNNYOPG-HQQJGFCBSA-N 0 0 520.586 3.063 40 0 KGABRN CCCCN1C(=O)[C@H]2[C@H](C1=O)N1[C@@H](c3ccccc3)[C@@H]3C(=O)N(CCCC)C(=O)[C@H]3N1[C@H]2c1ccccc1 ZINC000036037784 554146510 /nfs/dbraw/zinc/14/65/10/554146510.db2.gz FWSVQSXGDRRHKL-FBQZJRKBSA-N 0 0 514.626 3.323 40 0 KGABRN O=C(COC(=O)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000036247956 554209973 /nfs/dbraw/zinc/20/99/73/554209973.db2.gz DLLWHYPYPMNOST-CAEZZUPXSA-N 0 0 524.477 3.479 40 0 KGABRN CCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000036321662 554219862 /nfs/dbraw/zinc/21/98/62/554219862.db2.gz JIEYYYGZLRFRIC-LMMKCTJWSA-N 0 0 509.024 3.440 40 0 KGABRN Cc1cc(C)cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O[C@H](C(=O)NC3CCCC3)c3cccnc3)[C@@H]4C2=O)c1 ZINC000036351086 554224063 /nfs/dbraw/zinc/22/40/63/554224063.db2.gz OCFGDGFSLXAJPT-YPJMQKPISA-N 0 0 501.583 3.328 40 0 KGABRN Cc1cc(C)cc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)O[C@H](C(=O)NC3CCCC3)c3cccnc3)[C@@H]4C2=O)c1 ZINC000036351087 554224069 /nfs/dbraw/zinc/22/40/69/554224069.db2.gz OCFGDGFSLXAJPT-GMQKQUAPSA-N 0 0 501.583 3.328 40 0 KGABRN O=S(=O)(NCCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1 ZINC000036352111 1060055460 /nfs/dbraw/zinc/05/54/60/1060055460.db2.gz BPONJPAJZLAAGK-UHFFFAOYSA-N 0 0 509.653 3.278 40 0 KGABRN COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n12 ZINC000036611051 554225567 /nfs/dbraw/zinc/22/55/67/554225567.db2.gz JUFYXIYZGZEJSM-UDWLIQJJSA-N 0 0 512.587 3.438 40 0 KGABRN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1OCC(=O)NCc1ccccc1 ZINC000036624485 554226643 /nfs/dbraw/zinc/22/66/43/554226643.db2.gz HRVSRJCVYAVNSP-OAQYLSRUSA-N 0 0 502.365 3.335 40 0 KGABRN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1OCC(=O)NCc1ccccc1 ZINC000036624486 554226688 /nfs/dbraw/zinc/22/66/88/554226688.db2.gz HRVSRJCVYAVNSP-NRFANRHFSA-N 0 0 502.365 3.335 40 0 KGABRN CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@@H](C)S[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036665009 554230508 /nfs/dbraw/zinc/23/05/08/554230508.db2.gz HHLJOVQWGRXANV-OZAJXLCCSA-N 0 0 503.577 3.377 40 0 KGABRN CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@@H](C)S[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036665010 554230470 /nfs/dbraw/zinc/23/04/70/554230470.db2.gz HHLJOVQWGRXANV-YEBMWUKDSA-N 0 0 503.577 3.377 40 0 KGABRN CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@H](C)S[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036665011 554230400 /nfs/dbraw/zinc/23/04/00/554230400.db2.gz HHLJOVQWGRXANV-RZFZLAGVSA-N 0 0 503.577 3.377 40 0 KGABRN CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@H](C)S[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036665012 554230499 /nfs/dbraw/zinc/23/04/99/554230499.db2.gz HHLJOVQWGRXANV-RKNYENMMSA-N 0 0 503.577 3.377 40 0 KGABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1Cl ZINC000037021534 554230813 /nfs/dbraw/zinc/23/08/13/554230813.db2.gz FXWSYQNSYQHVDY-DOTOQJQBSA-N 0 0 510.012 3.051 40 0 KGABRN COc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1Cl ZINC000037021535 554230760 /nfs/dbraw/zinc/23/07/60/554230760.db2.gz FXWSYQNSYQHVDY-NVXWUHKLSA-N 0 0 510.012 3.051 40 0 KGABRN CC(C)CN(C(=O)COC(=O)C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038139569 554260822 /nfs/dbraw/zinc/26/08/22/554260822.db2.gz JSGYXCOAVHUUQV-CFZCFRQTSA-N 0 0 543.064 3.277 40 0 KGABRN CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@H]4[C@@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@@H](C)[C@@H]1O ZINC000038139770 290706365 /nfs/dbraw/zinc/70/63/65/290706365.db2.gz VPUNMTHWNSJUOG-RNBBRKNTSA-N 0 0 534.690 3.110 40 0 biogenic,in-vitro KGABRN CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@@H](C)[C@@H]1O ZINC000038139772 554261338 /nfs/dbraw/zinc/26/13/38/554261338.db2.gz VPUNMTHWNSJUOG-IXHHPUPCSA-N 0 0 534.690 3.110 40 0 biogenic,in-vitro KGABRN COc1cc([C@@H](C(=O)NC2CCCCC2)N(CCN2CCOCC2)C(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1OC ZINC000038141505 554264703 /nfs/dbraw/zinc/26/47/03/554264703.db2.gz DJHJBSJEMNMGQL-VMPREFPWSA-N 0 0 597.709 3.203 40 0 KGABRN COc1cc([C@H](C(=O)NC2CCCCC2)N(CCN2CCOCC2)C(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1OC ZINC000038141508 554264752 /nfs/dbraw/zinc/26/47/52/554264752.db2.gz DJHJBSJEMNMGQL-URLMMPGGSA-N 0 0 597.709 3.203 40 0 KGABRN COc1cc([C@@H](C(=O)NC2CCCCC2)N(CCN2CCOCC2)C(=O)[C@H]2COc3ccccc3O2)cc(OC)c1OC ZINC000038141509 554264824 /nfs/dbraw/zinc/26/48/24/554264824.db2.gz DJHJBSJEMNMGQL-WDYNHAJCSA-N 0 0 597.709 3.203 40 0 KGABRN COc1cc([C@H](C(=O)NC2CCCCC2)N(CCN2CCOCC2)C(=O)[C@H]2COc3ccccc3O2)cc(OC)c1OC ZINC000038141510 554264837 /nfs/dbraw/zinc/26/48/37/554264837.db2.gz DJHJBSJEMNMGQL-FQLXRVMXSA-N 0 0 597.709 3.203 40 0 KGABRN CC(C)(O)CCC(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@H]3CC=C4[C@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000038143768 290688599 /nfs/dbraw/zinc/68/85/99/290688599.db2.gz ITMUUFDDBRYVNJ-CMEALCLXSA-N 0 0 518.691 3.153 40 0 biogenic,in-vitro KGABRN CC(C)(O)CCC(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000038143770 290688601 /nfs/dbraw/zinc/68/86/01/290688601.db2.gz ITMUUFDDBRYVNJ-USUIAECPSA-N 0 0 518.691 3.153 40 0 biogenic,in-vitro KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1OC ZINC000038144963 554266406 /nfs/dbraw/zinc/26/64/06/554266406.db2.gz YQALMDZVPBBPBH-FQEVSTJZSA-N 0 0 529.644 3.350 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1OC ZINC000038144964 554266415 /nfs/dbraw/zinc/26/64/15/554266415.db2.gz YQALMDZVPBBPBH-HXUWFJFHSA-N 0 0 529.644 3.350 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)cc1OC ZINC000038145006 554266706 /nfs/dbraw/zinc/26/67/06/554266706.db2.gz ANVTYOGSLVKZKR-DEOSSOPVSA-N 0 0 561.620 3.252 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)cc1OC ZINC000038145007 554266677 /nfs/dbraw/zinc/26/66/77/554266677.db2.gz ANVTYOGSLVKZKR-XMMPIXPASA-N 0 0 561.620 3.252 40 0 KGABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCc1ccccc1)c1ccc(O)cc1 ZINC000038145039 554267037 /nfs/dbraw/zinc/26/70/37/554267037.db2.gz RWGNDQGHWMJMET-QHCPKHFHSA-N 0 0 531.594 3.243 40 0 KGABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1ccc(O)cc1 ZINC000038145040 554267028 /nfs/dbraw/zinc/26/70/28/554267028.db2.gz RWGNDQGHWMJMET-HSZRJFAPSA-N 0 0 531.594 3.243 40 0 KGABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4Cl)c(=O)[nH]3)CC2)cc1 ZINC000038145134 554267041 /nfs/dbraw/zinc/26/70/41/554267041.db2.gz BJUCFDWHLGLDKC-UHFFFAOYSA-N 0 0 542.021 3.155 40 0 KGABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000038145136 554267164 /nfs/dbraw/zinc/26/71/64/554267164.db2.gz ADKDZLXGLYOHOX-QHCPKHFHSA-N 0 0 537.642 3.284 40 0 KGABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000038145137 554267143 /nfs/dbraw/zinc/26/71/43/554267143.db2.gz ADKDZLXGLYOHOX-HSZRJFAPSA-N 0 0 537.642 3.284 40 0 KGABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OC)cc1OC ZINC000038145138 554267157 /nfs/dbraw/zinc/26/71/57/554267157.db2.gz OOGYHFKQWFPLLO-QHCPKHFHSA-N 0 0 553.641 3.297 40 0 KGABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OC)cc1OC ZINC000038145139 554267140 /nfs/dbraw/zinc/26/71/40/554267140.db2.gz OOGYHFKQWFPLLO-HSZRJFAPSA-N 0 0 553.641 3.297 40 0 KGABRN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000038145140 554267145 /nfs/dbraw/zinc/26/71/45/554267145.db2.gz JNAYNUFGCHVKIP-QHCPKHFHSA-N 0 0 549.609 3.135 40 0 KGABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000038145141 554267201 /nfs/dbraw/zinc/26/72/01/554267201.db2.gz JNAYNUFGCHVKIP-HSZRJFAPSA-N 0 0 549.609 3.135 40 0 KGABRN COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)c1OC ZINC000038145729 554267622 /nfs/dbraw/zinc/26/76/22/554267622.db2.gz CMSARTWVCMBUKC-IADCTJSHSA-N 0 0 586.649 3.477 40 0 KGABRN COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)c1OC ZINC000038145730 554267612 /nfs/dbraw/zinc/26/76/12/554267612.db2.gz CMSARTWVCMBUKC-MUAVYFROSA-N 0 0 586.649 3.477 40 0 KGABRN COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)c1OC ZINC000038145731 554267806 /nfs/dbraw/zinc/26/78/06/554267806.db2.gz CMSARTWVCMBUKC-BTYSJIOQSA-N 0 0 586.649 3.477 40 0 KGABRN COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)c1OC ZINC000038145732 554267814 /nfs/dbraw/zinc/26/78/14/554267814.db2.gz CMSARTWVCMBUKC-RNWIMVQKSA-N 0 0 586.649 3.477 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)cc1OC ZINC000038145752 554267822 /nfs/dbraw/zinc/26/78/22/554267822.db2.gz OKWKGKJOCRGRMZ-NGQVCNFZSA-N 0 0 586.649 3.477 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)cc1OC ZINC000038145754 554267883 /nfs/dbraw/zinc/26/78/83/554267883.db2.gz OKWKGKJOCRGRMZ-QABMSTFYSA-N 0 0 586.649 3.477 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)cc1OC ZINC000038145756 554267866 /nfs/dbraw/zinc/26/78/66/554267866.db2.gz OKWKGKJOCRGRMZ-HLADLETHSA-N 0 0 586.649 3.477 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)cc1OC ZINC000038145758 554267811 /nfs/dbraw/zinc/26/78/11/554267811.db2.gz OKWKGKJOCRGRMZ-AYWVHJORSA-N 0 0 586.649 3.477 40 0 KGABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1 ZINC000038145762 554267825 /nfs/dbraw/zinc/26/78/25/554267825.db2.gz CVEAOLFKGKOBBS-QHCPKHFHSA-N 0 0 531.594 3.243 40 0 KGABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1 ZINC000038145764 554267854 /nfs/dbraw/zinc/26/78/54/554267854.db2.gz CVEAOLFKGKOBBS-HSZRJFAPSA-N 0 0 531.594 3.243 40 0 KGABRN COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)c1 ZINC000038145781 554267861 /nfs/dbraw/zinc/26/78/61/554267861.db2.gz PFLVVEJGYCXRAT-SVEHJYQDSA-N 0 0 556.623 3.468 40 0 KGABRN COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)c1 ZINC000038145782 554267836 /nfs/dbraw/zinc/26/78/36/554267836.db2.gz PFLVVEJGYCXRAT-ABYGYWHVSA-N 0 0 556.623 3.468 40 0 KGABRN COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)c1 ZINC000038145783 554267831 /nfs/dbraw/zinc/26/78/31/554267831.db2.gz PFLVVEJGYCXRAT-IRPSRAIASA-N 0 0 556.623 3.468 40 0 KGABRN COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)c1 ZINC000038145785 554267818 /nfs/dbraw/zinc/26/78/18/554267818.db2.gz PFLVVEJGYCXRAT-VAVYLYDRSA-N 0 0 556.623 3.468 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)c(OC)c1 ZINC000038145786 554267857 /nfs/dbraw/zinc/26/78/57/554267857.db2.gz OUYNCBCZMYOCIR-NGQVCNFZSA-N 0 0 586.649 3.477 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)c(OC)c1 ZINC000038145788 554268114 /nfs/dbraw/zinc/26/81/14/554268114.db2.gz OUYNCBCZMYOCIR-QABMSTFYSA-N 0 0 586.649 3.477 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)c(OC)c1 ZINC000038145790 554268116 /nfs/dbraw/zinc/26/81/16/554268116.db2.gz OUYNCBCZMYOCIR-HLADLETHSA-N 0 0 586.649 3.477 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)c(OC)c1 ZINC000038145791 554268078 /nfs/dbraw/zinc/26/80/78/554268078.db2.gz OUYNCBCZMYOCIR-AYWVHJORSA-N 0 0 586.649 3.477 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)cc1 ZINC000038145792 554268122 /nfs/dbraw/zinc/26/81/22/554268122.db2.gz KMZDAUWGOMFZCP-SVEHJYQDSA-N 0 0 556.623 3.468 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)cc1 ZINC000038145793 554268104 /nfs/dbraw/zinc/26/81/04/554268104.db2.gz KMZDAUWGOMFZCP-ABYGYWHVSA-N 0 0 556.623 3.468 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)cc1 ZINC000038145794 554268090 /nfs/dbraw/zinc/26/80/90/554268090.db2.gz KMZDAUWGOMFZCP-IRPSRAIASA-N 0 0 556.623 3.468 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)cc1 ZINC000038145795 554268110 /nfs/dbraw/zinc/26/81/10/554268110.db2.gz KMZDAUWGOMFZCP-VAVYLYDRSA-N 0 0 556.623 3.468 40 0 KGABRN COc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)ccc1O ZINC000038145799 554268128 /nfs/dbraw/zinc/26/81/28/554268128.db2.gz PBFVSIMQDGEZIA-IADCTJSHSA-N 0 0 557.607 3.418 40 0 KGABRN COc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)ccc1O ZINC000038145801 554268120 /nfs/dbraw/zinc/26/81/20/554268120.db2.gz PBFVSIMQDGEZIA-MUAVYFROSA-N 0 0 557.607 3.418 40 0 KGABRN COc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)ccc1O ZINC000038145803 554268097 /nfs/dbraw/zinc/26/80/97/554268097.db2.gz PBFVSIMQDGEZIA-BTYSJIOQSA-N 0 0 557.607 3.418 40 0 KGABRN COc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)ccc1O ZINC000038145805 554268082 /nfs/dbraw/zinc/26/80/82/554268082.db2.gz PBFVSIMQDGEZIA-RNWIMVQKSA-N 0 0 557.607 3.418 40 0 KGABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2c[nH]c3ccccc32)c1 ZINC000038145841 554268318 /nfs/dbraw/zinc/26/83/18/554268318.db2.gz WRYPHFHHEBLONT-SBUREZEXSA-N 0 0 532.626 3.297 40 0 KGABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2c[nH]c3ccccc32)c1 ZINC000038145842 554268243 /nfs/dbraw/zinc/26/82/43/554268243.db2.gz WRYPHFHHEBLONT-GAJHUEQPSA-N 0 0 532.626 3.297 40 0 KGABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2c[nH]c3ccccc32)c1 ZINC000038145843 554268227 /nfs/dbraw/zinc/26/82/27/554268227.db2.gz WRYPHFHHEBLONT-HXOBKFHXSA-N 0 0 532.626 3.297 40 0 KGABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2c[nH]c3ccccc32)c1 ZINC000038145844 554268188 /nfs/dbraw/zinc/26/81/88/554268188.db2.gz WRYPHFHHEBLONT-UZUQRXQVSA-N 0 0 532.626 3.297 40 0 KGABRN COc1ccc(CNC(=O)[C@@H](c2ccco2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OC)cc1 ZINC000038145850 554268213 /nfs/dbraw/zinc/26/82/13/554268213.db2.gz BHTMWCVDRZYFJK-JOCHJYFZSA-N 0 0 535.582 3.139 40 0 KGABRN COc1ccc(CNC(=O)[C@H](c2ccco2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OC)cc1 ZINC000038145851 554268236 /nfs/dbraw/zinc/26/82/36/554268236.db2.gz BHTMWCVDRZYFJK-QFIPXVFZSA-N 0 0 535.582 3.139 40 0 KGABRN COc1ccc(CNC(=O)[C@@H](c2ccco2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(OC)c2)cc1 ZINC000038145852 554268219 /nfs/dbraw/zinc/26/82/19/554268219.db2.gz UFJORIQPUJUNFP-JOCHJYFZSA-N 0 0 535.582 3.139 40 0 KGABRN COc1ccc(CNC(=O)[C@H](c2ccco2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(OC)c2)cc1 ZINC000038145853 554268208 /nfs/dbraw/zinc/26/82/08/554268208.db2.gz UFJORIQPUJUNFP-QFIPXVFZSA-N 0 0 535.582 3.139 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@H](C(=O)NC[C@@H]2CCCO2)c2c[nH]c3ccccc32)c1N ZINC000038145854 554268308 /nfs/dbraw/zinc/26/83/08/554268308.db2.gz ISXOASUSTHRTDQ-AOMKIAJQSA-N 0 0 536.589 3.128 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2c[nH]c3ccccc32)c1N ZINC000038145855 554268252 /nfs/dbraw/zinc/26/82/52/554268252.db2.gz ISXOASUSTHRTDQ-KSFYIVLOSA-N 0 0 536.589 3.128 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@H](C(=O)NC[C@H]2CCCO2)c2c[nH]c3ccccc32)c1N ZINC000038145856 554268248 /nfs/dbraw/zinc/26/82/48/554268248.db2.gz ISXOASUSTHRTDQ-ZHRRBRCNSA-N 0 0 536.589 3.128 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NC[C@H]2CCCO2)c2c[nH]c3ccccc32)c1N ZINC000038145857 554268315 /nfs/dbraw/zinc/26/83/15/554268315.db2.gz ISXOASUSTHRTDQ-OPAMFIHVSA-N 0 0 536.589 3.128 40 0 KGABRN COc1ccc(CNC(=O)[C@H](c2ccc(C)o2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OC)cc1 ZINC000038145894 554268655 /nfs/dbraw/zinc/26/86/55/554268655.db2.gz VBKILDMIBITDRG-QHCPKHFHSA-N 0 0 549.609 3.447 40 0 KGABRN COc1ccc(CNC(=O)[C@@H](c2ccc(C)o2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OC)cc1 ZINC000038145895 554268504 /nfs/dbraw/zinc/26/85/04/554268504.db2.gz VBKILDMIBITDRG-HSZRJFAPSA-N 0 0 549.609 3.447 40 0 KGABRN COC(=O)c1cccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)c1 ZINC000038145896 554268661 /nfs/dbraw/zinc/26/86/61/554268661.db2.gz CEFWXYJKPNATGY-CUNXSJBXSA-N 0 0 595.674 3.351 40 0 KGABRN COC(=O)c1cccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)c1 ZINC000038145897 554268631 /nfs/dbraw/zinc/26/86/31/554268631.db2.gz CEFWXYJKPNATGY-WXVAWEFUSA-N 0 0 595.674 3.351 40 0 KGABRN COC(=O)c1cccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)c1 ZINC000038145898 554268614 /nfs/dbraw/zinc/26/86/14/554268614.db2.gz CEFWXYJKPNATGY-AMGIVPHBSA-N 0 0 595.674 3.351 40 0 KGABRN COC(=O)c1cccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)c1 ZINC000038145899 554268554 /nfs/dbraw/zinc/26/85/54/554268554.db2.gz CEFWXYJKPNATGY-AJTFRIOCSA-N 0 0 595.674 3.351 40 0 KGABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)c(OC)c2)cc1OC ZINC000038145930 554268714 /nfs/dbraw/zinc/26/87/14/554268714.db2.gz RFZDQBLNWIVHTI-LGGPFLRQSA-N 0 0 575.622 3.232 40 0 KGABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)c(OC)c2)cc1OC ZINC000038145931 554268752 /nfs/dbraw/zinc/26/87/52/554268752.db2.gz RFZDQBLNWIVHTI-KCWXNJEJSA-N 0 0 575.622 3.232 40 0 KGABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)c(OC)c2)cc1OC ZINC000038145932 554268725 /nfs/dbraw/zinc/26/87/25/554268725.db2.gz RFZDQBLNWIVHTI-PBBNMVCDSA-N 0 0 575.622 3.232 40 0 KGABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)c(OC)c2)cc1OC ZINC000038145933 554268772 /nfs/dbraw/zinc/26/87/72/554268772.db2.gz RFZDQBLNWIVHTI-ONOMSOESSA-N 0 0 575.622 3.232 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2c[nH]c3ccccc32)c1N ZINC000038145934 554268720 /nfs/dbraw/zinc/26/87/20/554268720.db2.gz YGBVJZPZRFJEJB-AOMKIAJQSA-N 0 0 536.589 3.128 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2c[nH]c3ccccc32)c1N ZINC000038145935 554269115 /nfs/dbraw/zinc/26/91/15/554269115.db2.gz YGBVJZPZRFJEJB-KSFYIVLOSA-N 0 0 536.589 3.128 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC[C@H]2CCCO2)c2c[nH]c3ccccc32)c1N ZINC000038145936 554269119 /nfs/dbraw/zinc/26/91/19/554269119.db2.gz YGBVJZPZRFJEJB-ZHRRBRCNSA-N 0 0 536.589 3.128 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@@H](C(=O)NC[C@H]2CCCO2)c2c[nH]c3ccccc32)c1N ZINC000038145937 554269078 /nfs/dbraw/zinc/26/90/78/554269078.db2.gz YGBVJZPZRFJEJB-OPAMFIHVSA-N 0 0 536.589 3.128 40 0 KGABRN COc1ccc(CN(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000038145942 554269094 /nfs/dbraw/zinc/26/90/94/554269094.db2.gz BOFRRLYYRJWJBL-FIPFOOKPSA-N 0 0 565.623 3.101 40 0 KGABRN COc1ccc(CN(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000038145943 554269092 /nfs/dbraw/zinc/26/90/92/554269092.db2.gz BOFRRLYYRJWJBL-NEKDWFFYSA-N 0 0 565.623 3.101 40 0 KGABRN COc1ccc(CN(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000038145944 554269045 /nfs/dbraw/zinc/26/90/45/554269045.db2.gz BOFRRLYYRJWJBL-LXFBAYGMSA-N 0 0 565.623 3.101 40 0 KGABRN COc1ccc(CN(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000038145945 554269100 /nfs/dbraw/zinc/26/91/00/554269100.db2.gz BOFRRLYYRJWJBL-QDPGVEIFSA-N 0 0 565.623 3.101 40 0 KGABRN COc1ccccc1CN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(OC)c(OC)c1 ZINC000038145946 554269097 /nfs/dbraw/zinc/26/90/97/554269097.db2.gz ZSRULFGZBSALLB-DWACAAAGSA-N 0 0 565.623 3.101 40 0 KGABRN COc1ccccc1CN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(OC)c(OC)c1 ZINC000038145947 554269041 /nfs/dbraw/zinc/26/90/41/554269041.db2.gz ZSRULFGZBSALLB-RBISFHTESA-N 0 0 565.623 3.101 40 0 KGABRN COc1ccccc1CN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(OC)c(OC)c1 ZINC000038145948 554269112 /nfs/dbraw/zinc/26/91/12/554269112.db2.gz ZSRULFGZBSALLB-DFHRPNOPSA-N 0 0 565.623 3.101 40 0 KGABRN COc1ccccc1CN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(OC)c(OC)c1 ZINC000038145949 554269087 /nfs/dbraw/zinc/26/90/87/554269087.db2.gz ZSRULFGZBSALLB-SKCUWOTOSA-N 0 0 565.623 3.101 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)CNC(=O)c2ccco2)cc1OC ZINC000038145950 554269106 /nfs/dbraw/zinc/26/91/06/554269106.db2.gz JNSBFCZDBLLFKX-CUNXSJBXSA-N 0 0 553.587 3.231 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)CNC(=O)c2ccco2)cc1OC ZINC000038145951 554269033 /nfs/dbraw/zinc/26/90/33/554269033.db2.gz JNSBFCZDBLLFKX-WXVAWEFUSA-N 0 0 553.587 3.231 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)CNC(=O)c2ccco2)cc1OC ZINC000038145952 554269027 /nfs/dbraw/zinc/26/90/27/554269027.db2.gz JNSBFCZDBLLFKX-AMGIVPHBSA-N 0 0 553.587 3.231 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)CNC(=O)c2ccco2)cc1OC ZINC000038145953 554269108 /nfs/dbraw/zinc/26/91/08/554269108.db2.gz JNSBFCZDBLLFKX-AJTFRIOCSA-N 0 0 553.587 3.231 40 0 KGABRN CCOC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000038145962 554269058 /nfs/dbraw/zinc/26/90/58/554269058.db2.gz RHNWWYHFBCTZAP-FIPFOOKPSA-N 0 0 593.633 3.273 40 0 KGABRN CCOC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000038145963 554269103 /nfs/dbraw/zinc/26/91/03/554269103.db2.gz RHNWWYHFBCTZAP-NEKDWFFYSA-N 0 0 593.633 3.273 40 0 KGABRN CCOC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000038145964 554269022 /nfs/dbraw/zinc/26/90/22/554269022.db2.gz RHNWWYHFBCTZAP-LXFBAYGMSA-N 0 0 593.633 3.273 40 0 KGABRN CCOC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000038145965 554269279 /nfs/dbraw/zinc/26/92/79/554269279.db2.gz RHNWWYHFBCTZAP-QDPGVEIFSA-N 0 0 593.633 3.273 40 0 KGABRN COc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000038145970 554269295 /nfs/dbraw/zinc/26/92/95/554269295.db2.gz KTNOXTARJGLUQT-CUNXSJBXSA-N 0 0 551.596 3.105 40 0 KGABRN COc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000038145971 554269259 /nfs/dbraw/zinc/26/92/59/554269259.db2.gz KTNOXTARJGLUQT-WXVAWEFUSA-N 0 0 551.596 3.105 40 0 KGABRN COc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000038145972 554269314 /nfs/dbraw/zinc/26/93/14/554269314.db2.gz KTNOXTARJGLUQT-AMGIVPHBSA-N 0 0 551.596 3.105 40 0 KGABRN COc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000038145973 554269312 /nfs/dbraw/zinc/26/93/12/554269312.db2.gz KTNOXTARJGLUQT-AJTFRIOCSA-N 0 0 551.596 3.105 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccccc2)C(=O)CNC(=O)c2ccco2)cc1OC ZINC000038145974 554269310 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)[nH]c4ccccc43)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000059418599 554395045 /nfs/dbraw/zinc/39/50/45/554395045.db2.gz VLNOVBXZBKGMED-DKOMQPSQSA-N 0 0 501.564 3.317 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)[nH]c4ccccc43)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000059418601 554395056 /nfs/dbraw/zinc/39/50/56/554395056.db2.gz VLNOVBXZBKGMED-IZBTWGKQSA-N 0 0 501.564 3.317 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000059433130 554395565 /nfs/dbraw/zinc/39/55/65/554395565.db2.gz LBGYBAUCVPHLHU-NLZIUFDSSA-N 0 0 508.596 3.214 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000059433132 554395581 /nfs/dbraw/zinc/39/55/81/554395581.db2.gz LBGYBAUCVPHLHU-WLGHQHAYSA-N 0 0 508.596 3.214 40 0 KGABRN CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3cc(C)n(C)c3C)sc2=N1 ZINC000059437431 554395782 /nfs/dbraw/zinc/39/57/82/554395782.db2.gz CIEFOCUIRAYOOJ-JGTYQCAFSA-N 0 0 507.612 3.263 40 0 KGABRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3cc(C)n(C)c3C)sc2=N1 ZINC000059437432 554395757 /nfs/dbraw/zinc/39/57/57/554395757.db2.gz CIEFOCUIRAYOOJ-LYRGBEMXSA-N 0 0 507.612 3.263 40 0 KGABRN COc1ccc(CCNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059444169 554396007 /nfs/dbraw/zinc/39/60/07/554396007.db2.gz RHZLNMJIZVAMKL-UHFFFAOYSA-N 0 0 514.600 3.275 40 0 KGABRN O=C(Nc1cccc(Cl)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000059472932 554396761 /nfs/dbraw/zinc/39/67/61/554396761.db2.gz AFAPMTYHLBODTQ-QFIPXVFZSA-N 0 0 520.032 3.043 40 0 KGABRN COc1ccc(OC[C@H](CN(C)C2=NS(=O)(=O)c3ccccc32)OC(=O)c2ccccc2OC)cc1 ZINC000059483523 554397379 /nfs/dbraw/zinc/39/73/79/554397379.db2.gz CMSIYFBGZCTOIN-FQEVSTJZSA-N 0 0 510.568 3.389 40 0 KGABRN COc1ccc(OC[C@@H](CN(C)C2=NS(=O)(=O)c3ccccc32)OC(=O)c2ccccc2OC)cc1 ZINC000059483525 554397619 /nfs/dbraw/zinc/39/76/19/554397619.db2.gz CMSIYFBGZCTOIN-HXUWFJFHSA-N 0 0 510.568 3.389 40 0 KGABRN CCCCCOc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000059498117 554399242 /nfs/dbraw/zinc/39/92/42/554399242.db2.gz MCEJLJRCZWQDJC-UHFFFAOYSA-N 0 0 501.027 3.422 40 0 KGABRN O=C(NC[C@@H]1CCCO1)c1sc(=S)n2c1[nH]c(=O)c1ccc(C(=O)N3CCN(c4ccccc4)CC3)cc12 ZINC000059515235 554403059 /nfs/dbraw/zinc/40/30/59/554403059.db2.gz NZKDIYPZIMVTIF-IBGZPJMESA-N 0 0 549.678 3.443 40 0 KGABRN O=C(NC[C@H]1CCCO1)c1sc(=S)n2c1[nH]c(=O)c1ccc(C(=O)N3CCN(c4ccccc4)CC3)cc12 ZINC000059515236 554403057 /nfs/dbraw/zinc/40/30/57/554403057.db2.gz NZKDIYPZIMVTIF-LJQANCHMSA-N 0 0 549.678 3.443 40 0 KGABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(c3ccccc3)CC2)cc1OC ZINC000059516212 554403336 /nfs/dbraw/zinc/40/33/36/554403336.db2.gz ZHNZBDXFUXRBPN-UHFFFAOYSA-N 0 0 523.655 3.286 40 0 KGABRN COc1ccccc1CNC(=O)c1ccc2c(=O)[nH]c3c(C(=O)NC[C@@H]4CCCO4)sc(=S)n3c2c1 ZINC000059530957 554406886 /nfs/dbraw/zinc/40/68/86/554406886.db2.gz MVRZRIYOCOCMEV-INIZCTEOSA-N 0 0 524.624 3.419 40 0 KGABRN COc1ccccc1CNC(=O)c1ccc2c(=O)[nH]c3c(C(=O)NC[C@H]4CCCO4)sc(=S)n3c2c1 ZINC000059530958 554406854 /nfs/dbraw/zinc/40/68/54/554406854.db2.gz MVRZRIYOCOCMEV-MRXNPFEDSA-N 0 0 524.624 3.419 40 0 KGABRN CCC(CC)C(=O)N(CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F)C(=O)C(CC)CC ZINC000059531199 554406870 /nfs/dbraw/zinc/40/68/70/554406870.db2.gz HPRMWGQKHOPXMA-UHFFFAOYSA-N 0 0 542.656 3.261 40 0 KGABRN CN(CCCNS(=O)(=O)c1ccc(Br)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000059608781 554411644 /nfs/dbraw/zinc/41/16/44/554411644.db2.gz WCPURTIWKYMVAK-UHFFFAOYSA-N 0 0 526.272 3.201 40 0 KGABRN O=C(NCCCCCCNC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000059608791 554411597 /nfs/dbraw/zinc/41/15/97/554411597.db2.gz JQFURYYHBCZOHE-UHFFFAOYSA-N 0 0 608.740 3.059 40 0 KGABRN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000059640997 554416540 /nfs/dbraw/zinc/41/65/40/554416540.db2.gz FVEBBLVSLATYCQ-YGJMBROUSA-N 0 0 534.515 3.406 40 0 KGABRN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000059641000 554416724 /nfs/dbraw/zinc/41/67/24/554416724.db2.gz FVEBBLVSLATYCQ-BGBDVBRQSA-N 0 0 534.515 3.406 40 0 KGABRN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3C1(C)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000059641004 554416685 /nfs/dbraw/zinc/41/66/85/554416685.db2.gz FVEBBLVSLATYCQ-CMFUILSCSA-N 0 0 534.515 3.406 40 0 KGABRN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3C1(C)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000059641007 554416627 /nfs/dbraw/zinc/41/66/27/554416627.db2.gz FVEBBLVSLATYCQ-YFIVPJIISA-N 0 0 534.515 3.406 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000059651530 554418545 /nfs/dbraw/zinc/41/85/45/554418545.db2.gz DLFUBGWBIQJJDU-UHFFFAOYSA-N 0 0 577.656 3.461 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000059652148 554419576 /nfs/dbraw/zinc/41/95/76/554419576.db2.gz CUSPWTXFTJDLHE-UHFFFAOYSA-N 0 0 555.653 3.265 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)c1 ZINC000059652284 554419584 /nfs/dbraw/zinc/41/95/84/554419584.db2.gz QGPBZMXTHBUVMW-UHFFFAOYSA-N 0 0 539.610 3.010 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2ccc(C)cc2)cc1OC ZINC000059652314 554419620 /nfs/dbraw/zinc/41/96/20/554419620.db2.gz IKPKDJXUNMQLGY-UHFFFAOYSA-N 0 0 553.637 3.319 40 0 KGABRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000059652323 554419539 /nfs/dbraw/zinc/41/95/39/554419539.db2.gz VEOYOCLBAWCJHC-UHFFFAOYSA-N 0 0 553.637 3.319 40 0 KGABRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000059652335 554419800 /nfs/dbraw/zinc/41/98/00/554419800.db2.gz NUPPCBOBWUHRGE-UHFFFAOYSA-N 0 0 553.637 3.319 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000059652395 554419830 /nfs/dbraw/zinc/41/98/30/554419830.db2.gz SYTNGKZSYCCQLK-UHFFFAOYSA-N 0 0 553.637 3.319 40 0 KGABRN CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000059652422 554419825 /nfs/dbraw/zinc/41/98/25/554419825.db2.gz DZIGVJWVTQFTAL-UHFFFAOYSA-N 0 0 533.956 3.198 40 0 KGABRN COC(=O)c1cc(NC(=O)c2cc(SNC3=C(O)CCC3=O)c3ccccc3c2O)cc(C(=O)OC)c1 ZINC000059662774 554420676 /nfs/dbraw/zinc/42/06/76/554420676.db2.gz UHLQOOXOHJBLSN-UHFFFAOYSA-N 0 0 522.535 3.268 40 0 KGABRN COc1ccc(OC)c(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000059671394 554422522 /nfs/dbraw/zinc/42/25/22/554422522.db2.gz LPZDJWOZVLCFRX-FUHWJXTLSA-N 0 0 540.461 3.180 40 0 KGABRN COc1ccc(OC)c(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000059671395 554422556 /nfs/dbraw/zinc/42/25/56/554422556.db2.gz LPZDJWOZVLCFRX-WMZOPIPTSA-N 0 0 540.461 3.180 40 0 KGABRN COc1ccc(OC)c(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000059671396 554422527 /nfs/dbraw/zinc/42/25/27/554422527.db2.gz LPZDJWOZVLCFRX-SJLPKXTDSA-N 0 0 540.461 3.180 40 0 KGABRN COc1ccc(OC)c(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000059671397 554422502 /nfs/dbraw/zinc/42/25/02/554422502.db2.gz LPZDJWOZVLCFRX-AEFFLSMTSA-N 0 0 540.461 3.180 40 0 KGABRN O=C(CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F)Nc1ccc(Br)cc1 ZINC000059671398 554422487 /nfs/dbraw/zinc/42/24/87/554422487.db2.gz OGTLUUXAAJEMGM-WBVHZDCISA-N 0 0 516.389 3.441 40 0 KGABRN O=C(CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F)Nc1ccc(Br)cc1 ZINC000059671399 554422552 /nfs/dbraw/zinc/42/25/52/554422552.db2.gz OGTLUUXAAJEMGM-RDJZCZTQSA-N 0 0 516.389 3.441 40 0 KGABRN O=C(CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F)Nc1ccc(Br)cc1 ZINC000059671400 554422482 /nfs/dbraw/zinc/42/24/82/554422482.db2.gz OGTLUUXAAJEMGM-NVXWUHKLSA-N 0 0 516.389 3.441 40 0 KGABRN O=C(CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F)Nc1ccc(Br)cc1 ZINC000059671401 554422554 /nfs/dbraw/zinc/42/25/54/554422554.db2.gz OGTLUUXAAJEMGM-DOTOQJQBSA-N 0 0 516.389 3.441 40 0 KGABRN CC(=O)c1cccc(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000059671402 554422537 /nfs/dbraw/zinc/42/25/37/554422537.db2.gz ZQJLRICMBAKMMY-RBUKOAKNSA-N 0 0 522.446 3.365 40 0 KGABRN CC(=O)c1cccc(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000059671403 554422515 /nfs/dbraw/zinc/42/25/15/554422515.db2.gz ZQJLRICMBAKMMY-OALUTQOASA-N 0 0 522.446 3.365 40 0 KGABRN CC(=O)c1cccc(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000059671405 554422529 /nfs/dbraw/zinc/42/25/29/554422529.db2.gz ZQJLRICMBAKMMY-RTBURBONSA-N 0 0 522.446 3.365 40 0 KGABRN CC(=O)c1cccc(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000059671406 554422548 /nfs/dbraw/zinc/42/25/48/554422548.db2.gz ZQJLRICMBAKMMY-MOPGFXCFSA-N 0 0 522.446 3.365 40 0 KGABRN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3C[C@@H](C)N[C@@H](C)C3)ccc1OCC)[nH]c2=S ZINC000059726312 554426814 /nfs/dbraw/zinc/42/68/14/554426814.db2.gz SCLUKEPFXXPARW-GASCZTMLSA-N 0 0 504.682 3.041 40 0 in-vitro KGABRN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000059780893 554429543 /nfs/dbraw/zinc/42/95/43/554429543.db2.gz OOMZNTVALBMHRC-HHHXNRCGSA-N 0 0 545.615 3.096 40 0 KGABRN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000059780895 554429683 /nfs/dbraw/zinc/42/96/83/554429683.db2.gz OOMZNTVALBMHRC-MHZLTWQESA-N 0 0 545.615 3.096 40 0 KGABRN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2F)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000059780953 554429580 /nfs/dbraw/zinc/42/95/80/554429580.db2.gz ZJKLKHXXQRQGPV-HHHXNRCGSA-N 0 0 545.615 3.096 40 0 KGABRN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2F)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000059780963 554429614 /nfs/dbraw/zinc/42/96/14/554429614.db2.gz ZJKLKHXXQRQGPV-MHZLTWQESA-N 0 0 545.615 3.096 40 0 KGABRN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000059780999 554429642 /nfs/dbraw/zinc/42/96/42/554429642.db2.gz VQEYURGGZKTSFM-NRFANRHFSA-N 0 0 572.415 3.490 40 0 KGABRN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000059781005 554429676 /nfs/dbraw/zinc/42/96/76/554429676.db2.gz VQEYURGGZKTSFM-OAQYLSRUSA-N 0 0 572.415 3.490 40 0 KGABRN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000059781056 554429625 /nfs/dbraw/zinc/42/96/25/554429625.db2.gz LGVZFAWSRXETDG-NRFANRHFSA-N 0 0 538.863 3.125 40 0 KGABRN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000059781060 554429571 /nfs/dbraw/zinc/42/95/71/554429571.db2.gz LGVZFAWSRXETDG-OAQYLSRUSA-N 0 0 538.863 3.125 40 0 KGABRN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(Cl)c2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000059781066 554429887 /nfs/dbraw/zinc/42/98/87/554429887.db2.gz OSHBZMKNZIIIQM-NRFANRHFSA-N 0 0 538.863 3.125 40 0 KGABRN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(Cl)c2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000059781071 554429893 /nfs/dbraw/zinc/42/98/93/554429893.db2.gz OSHBZMKNZIIIQM-OAQYLSRUSA-N 0 0 538.863 3.125 40 0 KGABRN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc2ccccc21 ZINC000059781961 554430344 /nfs/dbraw/zinc/43/03/44/554430344.db2.gz LCDVQPRCJJFPKC-RUZDIDTESA-N 0 0 553.585 3.336 40 0 KGABRN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc2ccccc21 ZINC000059781965 554430284 /nfs/dbraw/zinc/43/02/84/554430284.db2.gz LCDVQPRCJJFPKC-VWLOTQADSA-N 0 0 553.585 3.336 40 0 KGABRN COc1cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[nH]c(=O)c32)cc(OC)c1OC ZINC000059816722 554431092 /nfs/dbraw/zinc/43/10/92/554431092.db2.gz FHFJGNYFBIPDQX-HXUWFJFHSA-N 0 0 547.612 3.319 40 0 KGABRN COc1cc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[nH]c(=O)c32)cc(OC)c1OC ZINC000059816727 554430919 /nfs/dbraw/zinc/43/09/19/554430919.db2.gz FHFJGNYFBIPDQX-FQEVSTJZSA-N 0 0 547.612 3.319 40 0 KGABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000059833946 554433323 /nfs/dbraw/zinc/43/33/23/554433323.db2.gz CYWDHGSFPKYUIU-NRFANRHFSA-N 0 0 558.609 3.036 40 0 KGABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000059833947 554433342 /nfs/dbraw/zinc/43/33/42/554433342.db2.gz CYWDHGSFPKYUIU-OAQYLSRUSA-N 0 0 558.609 3.036 40 0 KGABRN COC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc(C(=O)OC)c1 ZINC000059834105 554433765 /nfs/dbraw/zinc/43/37/65/554433765.db2.gz KRFRSLKOFUAMSD-QFIPXVFZSA-N 0 0 561.012 3.450 40 0 KGABRN COC(=O)c1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc(C(=O)OC)c1 ZINC000059834108 554433783 /nfs/dbraw/zinc/43/37/83/554433783.db2.gz KRFRSLKOFUAMSD-JOCHJYFZSA-N 0 0 561.012 3.450 40 0 KGABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC ZINC000059834239 554433872 /nfs/dbraw/zinc/43/38/72/554433872.db2.gz ZOANDAAAILKBDW-NRFANRHFSA-N 0 0 542.610 3.336 40 0 KGABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC ZINC000059834242 554433909 /nfs/dbraw/zinc/43/39/09/554433909.db2.gz ZOANDAAAILKBDW-OAQYLSRUSA-N 0 0 542.610 3.336 40 0 KGABRN COC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(C)ccc2OC)cc(C(=O)OC)c1 ZINC000059834244 554433904 /nfs/dbraw/zinc/43/39/04/554433904.db2.gz YHOLBIQMNKMNEO-QFIPXVFZSA-N 0 0 540.594 3.105 40 0 KGABRN COC(=O)c1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(C)ccc2OC)cc(C(=O)OC)c1 ZINC000059834248 554433876 /nfs/dbraw/zinc/43/38/76/554433876.db2.gz YHOLBIQMNKMNEO-JOCHJYFZSA-N 0 0 540.594 3.105 40 0 KGABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(C)c1 ZINC000059834346 554434395 /nfs/dbraw/zinc/43/43/95/554434395.db2.gz KXTVFJKYLHDMAH-QFIPXVFZSA-N 0 0 542.610 3.336 40 0 KGABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(C)c1 ZINC000059834347 554434421 /nfs/dbraw/zinc/43/44/21/554434421.db2.gz KXTVFJKYLHDMAH-JOCHJYFZSA-N 0 0 542.610 3.336 40 0 KGABRN COC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(C)c2)cc(C(=O)OC)c1 ZINC000059834348 554434402 /nfs/dbraw/zinc/43/44/02/554434402.db2.gz QZIMDQYGGXDELP-QHCPKHFHSA-N 0 0 540.594 3.105 40 0 KGABRN COC(=O)c1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(C)c2)cc(C(=O)OC)c1 ZINC000059834351 554434419 /nfs/dbraw/zinc/43/44/19/554434419.db2.gz QZIMDQYGGXDELP-HSZRJFAPSA-N 0 0 540.594 3.105 40 0 KGABRN COC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2OC)cc(C(=O)OC)c1 ZINC000059834493 554434646 /nfs/dbraw/zinc/43/46/46/554434646.db2.gz JCRVDMRJFJJAED-NRFANRHFSA-N 0 0 561.012 3.450 40 0 KGABRN COC(=O)c1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2OC)cc(C(=O)OC)c1 ZINC000059834496 554434642 /nfs/dbraw/zinc/43/46/42/554434642.db2.gz JCRVDMRJFJJAED-OAQYLSRUSA-N 0 0 561.012 3.450 40 0 KGABRN COc1ccc(N(CC(=O)NCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059834922 554435885 /nfs/dbraw/zinc/43/58/85/554435885.db2.gz OBGCWNRZHVFGHU-UHFFFAOYSA-N 0 0 530.599 3.241 40 0 KGABRN COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3Cl)ccc2s1 ZINC000059837216 554442634 /nfs/dbraw/zinc/44/26/34/554442634.db2.gz VGFQSYBPAJUJBS-UHFFFAOYSA-N 0 0 525.004 3.380 40 0 KGABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059837365 554442791 /nfs/dbraw/zinc/44/27/91/554442791.db2.gz CMDVXRUPAVLING-UHFFFAOYSA-N 0 0 541.695 3.369 40 0 KGABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059837372 554442886 /nfs/dbraw/zinc/44/28/86/554442886.db2.gz QLPQOHVWRDECAN-UHFFFAOYSA-N 0 0 555.722 3.411 40 0 KGABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059837375 554443058 /nfs/dbraw/zinc/44/30/58/554443058.db2.gz XKUXFQZXEOGLOE-UHFFFAOYSA-N 0 0 541.695 3.021 40 0 KGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)Cc2ccccc2)cc1 ZINC000059837389 554443110 /nfs/dbraw/zinc/44/31/10/554443110.db2.gz FYLKHXSLHRGXKT-UHFFFAOYSA-N 0 0 541.695 3.287 40 0 KGABRN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000059837398 554443123 /nfs/dbraw/zinc/44/31/23/554443123.db2.gz BXLXTBKRBMPURQ-UHFFFAOYSA-N 0 0 555.722 3.329 40 0 KGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)Cc2ccc(Cl)cc2)cc1 ZINC000059837410 554443047 /nfs/dbraw/zinc/44/30/47/554443047.db2.gz BZDJBDXVUCNRPK-UHFFFAOYSA-N 0 0 550.102 3.406 40 0 KGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2ccc(Cl)cc2)cc1 ZINC000059837417 554443093 /nfs/dbraw/zinc/44/30/93/554443093.db2.gz QXEAJMHJKSCEHX-UHFFFAOYSA-N 0 0 592.139 3.177 40 0 KGABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837420 554443077 /nfs/dbraw/zinc/44/30/77/554443077.db2.gz QUUFYGUYKDICGD-UHFFFAOYSA-N 0 0 536.075 3.098 40 0 KGABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837431 554443082 /nfs/dbraw/zinc/44/30/82/554443082.db2.gz GEKKAJLRIVHNNR-UHFFFAOYSA-N 0 0 550.102 3.140 40 0 KGABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000059837454 554443050 /nfs/dbraw/zinc/44/30/50/554443050.db2.gz GUYMAMAMLZFVAL-UHFFFAOYSA-N 0 0 580.526 3.207 40 0 KGABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000059837469 554443372 /nfs/dbraw/zinc/44/33/72/554443372.db2.gz IGKQTGCPPKCYDA-UHFFFAOYSA-N 0 0 594.553 3.249 40 0 KGABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000059837479 554443345 /nfs/dbraw/zinc/44/33/45/554443345.db2.gz ZJXGXFSWPYLUEU-UHFFFAOYSA-N 0 0 572.547 3.339 40 0 KGABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059837487 554443410 /nfs/dbraw/zinc/44/34/10/554443410.db2.gz KWLIAMCYJYKKLP-UHFFFAOYSA-N 0 0 614.584 3.110 40 0 KGABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059837492 554443387 /nfs/dbraw/zinc/44/33/87/554443387.db2.gz VTQDUQALCAWYKS-UHFFFAOYSA-N 0 0 545.658 3.118 40 0 KGABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059837502 554443418 /nfs/dbraw/zinc/44/34/18/554443418.db2.gz YWJHRZBLWJICPL-UHFFFAOYSA-N 0 0 537.679 3.250 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)Cc2ccccc2)cc1 ZINC000059837510 554443356 /nfs/dbraw/zinc/44/33/56/554443356.db2.gz UQGULJPWCSWWKB-UHFFFAOYSA-N 0 0 571.721 3.377 40 0 KGABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000059837521 554443402 /nfs/dbraw/zinc/44/34/02/554443402.db2.gz ULHPRBREKRFDMV-UHFFFAOYSA-N 0 0 585.748 3.420 40 0 KGABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000059837524 554443415 /nfs/dbraw/zinc/44/34/15/554443415.db2.gz HJJOLNQYSRNCAD-UHFFFAOYSA-N 0 0 571.721 3.030 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)Cc2ccccc2)cc1OC ZINC000059837534 554443335 /nfs/dbraw/zinc/44/33/35/554443335.db2.gz DHTTWDVFXRXGCA-UHFFFAOYSA-N 0 0 601.747 3.386 40 0 KGABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC ZINC000059837547 554443613 /nfs/dbraw/zinc/44/36/13/554443613.db2.gz IOOMEDIOWSCFAK-UHFFFAOYSA-N 0 0 615.774 3.428 40 0 KGABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC ZINC000059837549 554443620 /nfs/dbraw/zinc/44/36/20/554443620.db2.gz MYELLPMHAUPNAN-UHFFFAOYSA-N 0 0 601.747 3.038 40 0 KGABRN COc1ccc(N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059837560 554443642 /nfs/dbraw/zinc/44/36/42/554443642.db2.gz BDFSCCHRWGBUBN-UHFFFAOYSA-N 0 0 617.746 3.399 40 0 KGABRN COc1ccc(N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059837562 554443604 /nfs/dbraw/zinc/44/36/04/554443604.db2.gz VQYIZLVNHAVENW-UHFFFAOYSA-N 0 0 603.719 3.009 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C2CCCCC2)cc1OC ZINC000059837574 554443677 /nfs/dbraw/zinc/44/36/77/554443677.db2.gz VCRIFQOGHOVMRZ-UHFFFAOYSA-N 0 0 579.741 3.128 40 0 KGABRN NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000059837579 554443645 /nfs/dbraw/zinc/44/36/45/554443645.db2.gz WNRDCYJEPNYBOW-UHFFFAOYSA-N 0 0 542.466 3.148 40 0 KGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000059837605 554443662 /nfs/dbraw/zinc/44/36/62/554443662.db2.gz WWYHRIUDXQBPDQ-UHFFFAOYSA-N 0 0 556.493 3.457 40 0 KGABRN NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837618 554443655 /nfs/dbraw/zinc/44/36/55/554443655.db2.gz QNDCQIKAKCYRRT-UHFFFAOYSA-N 0 0 542.466 3.148 40 0 KGABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059837632 554443904 /nfs/dbraw/zinc/44/39/04/554443904.db2.gz HWNISGUWZLXRQA-UHFFFAOYSA-N 0 0 580.526 3.207 40 0 KGABRN NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000059837642 554443855 /nfs/dbraw/zinc/44/38/55/554443855.db2.gz CXOQDCJECLTLJN-UHFFFAOYSA-N 0 0 542.466 3.148 40 0 KGABRN Cc1ccc(CN(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837654 554443910 /nfs/dbraw/zinc/44/39/10/554443910.db2.gz YKWUIYBXHPZEOA-UHFFFAOYSA-N 0 0 550.102 3.406 40 0 KGABRN Cc1ccc(CN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837660 554443880 /nfs/dbraw/zinc/44/38/80/554443880.db2.gz YJQPAZRQRCXWDL-UHFFFAOYSA-N 0 0 592.139 3.177 40 0 KGABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837664 554443899 /nfs/dbraw/zinc/44/38/99/554443899.db2.gz VIPMDYSIHDFQMY-UHFFFAOYSA-N 0 0 554.065 3.237 40 0 KGABRN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059837671 554443893 /nfs/dbraw/zinc/44/38/93/554443893.db2.gz SBGGUGMIBKGZJT-UHFFFAOYSA-N 0 0 596.102 3.007 40 0 KGABRN Cc1cccc(CN(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000059837674 554443845 /nfs/dbraw/zinc/44/38/45/554443845.db2.gz QUNFTEPGZOGHGG-UHFFFAOYSA-N 0 0 550.102 3.406 40 0 KGABRN Cc1cccc(CN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000059837681 554443837 /nfs/dbraw/zinc/44/38/37/554443837.db2.gz HGZGRGHMQKTBEG-UHFFFAOYSA-N 0 0 592.139 3.177 40 0 KGABRN NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837686 554443890 /nfs/dbraw/zinc/44/38/90/554443890.db2.gz GGBOCYITCBCYHJ-UHFFFAOYSA-N 0 0 542.466 3.148 40 0 KGABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837705 554444139 /nfs/dbraw/zinc/44/41/39/554444139.db2.gz NQJYJMFDKAEPBF-UHFFFAOYSA-N 0 0 554.065 3.237 40 0 KGABRN O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059837708 554444120 /nfs/dbraw/zinc/44/41/20/554444120.db2.gz YTIRZDQCUHVSHZ-UHFFFAOYSA-N 0 0 596.102 3.007 40 0 KGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)Cc2ccccc2F)cc1 ZINC000059837711 554444107 /nfs/dbraw/zinc/44/41/07/554444107.db2.gz IPAWFMBFUVGDEX-UHFFFAOYSA-N 0 0 559.685 3.426 40 0 KGABRN NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837717 554444179 /nfs/dbraw/zinc/44/41/79/554444179.db2.gz OGPDFPCFIIDPCT-UHFFFAOYSA-N 0 0 560.456 3.287 40 0 KGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2c(F)cccc2Cl)cc1 ZINC000059837729 554444131 /nfs/dbraw/zinc/44/41/31/554444131.db2.gz FTHRWFGYDJUEQH-UHFFFAOYSA-N 0 0 610.129 3.316 40 0 KGABRN NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837731 554444173 /nfs/dbraw/zinc/44/41/73/554444173.db2.gz RDHLWXBOZJJHDI-UHFFFAOYSA-N 0 0 586.917 3.257 40 0 KGABRN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059837746 554444134 /nfs/dbraw/zinc/44/41/34/554444134.db2.gz USHSNOSHVUNUNM-UHFFFAOYSA-N 0 0 545.658 3.118 40 0 KGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)Cc2ccc(F)cc2)cc1 ZINC000059837757 554444288 /nfs/dbraw/zinc/44/42/88/554444288.db2.gz MGMUKAXFLNXJES-UHFFFAOYSA-N 0 0 559.685 3.426 40 0 KGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2ccc(Cl)cc2Cl)cc1 ZINC000059837762 554444356 /nfs/dbraw/zinc/44/43/56/554444356.db2.gz BDXRRSHIUYVFNA-UHFFFAOYSA-N 0 0 556.493 3.457 40 0 KGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)Cc2cccc(Cl)c2)cc1 ZINC000059837780 554444387 /nfs/dbraw/zinc/44/43/87/554444387.db2.gz XRFRWQMZSFUWDH-UHFFFAOYSA-N 0 0 550.102 3.406 40 0 KGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2cccc(Cl)c2)cc1 ZINC000059837786 554444293 /nfs/dbraw/zinc/44/42/93/554444293.db2.gz OHTFXNKTEZAVIG-UHFFFAOYSA-N 0 0 592.139 3.177 40 0 KGABRN NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837788 554444314 /nfs/dbraw/zinc/44/43/14/554444314.db2.gz DDNPWESOYCQTRE-UHFFFAOYSA-N 0 0 542.466 3.148 40 0 KGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)Cc2ccccc2Cl)cc1 ZINC000059837798 554444367 /nfs/dbraw/zinc/44/43/67/554444367.db2.gz IWPGLRMANOUKFV-UHFFFAOYSA-N 0 0 550.102 3.406 40 0 KGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2ccccc2Cl)cc1 ZINC000059837803 554444327 /nfs/dbraw/zinc/44/43/27/554444327.db2.gz NXKUWINYGHZLCJ-UHFFFAOYSA-N 0 0 592.139 3.177 40 0 KGABRN Cc1ccccc1CN(CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000059837814 554444341 /nfs/dbraw/zinc/44/43/41/554444341.db2.gz ZRLSKULGLHPJLY-UHFFFAOYSA-N 0 0 550.102 3.406 40 0 KGABRN Cc1ccccc1CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000059837825 554444364 /nfs/dbraw/zinc/44/43/64/554444364.db2.gz CJOWJKOKCOYANT-UHFFFAOYSA-N 0 0 592.139 3.177 40 0 KGABRN NS(=O)(=O)c1ccc(CNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000059837827 554444306 /nfs/dbraw/zinc/44/43/06/554444306.db2.gz WZBNRCDDLZEQBF-UHFFFAOYSA-N 0 0 556.493 3.191 40 0 KGABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)Cc2ccccc2)c(C)c1 ZINC000059837838 554444617 /nfs/dbraw/zinc/44/46/17/554444617.db2.gz LJWRSQGMQHWVAL-UHFFFAOYSA-N 0 0 543.711 3.369 40 0 KGABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2ccccc2)c(C)c1 ZINC000059837848 554444681 /nfs/dbraw/zinc/44/46/81/554444681.db2.gz NZLCATOIFDWQME-UHFFFAOYSA-N 0 0 585.748 3.140 40 0 KGABRN NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000059837861 554444683 /nfs/dbraw/zinc/44/46/83/554444683.db2.gz PIDMFUOSWSXKLX-UHFFFAOYSA-N 0 0 586.917 3.257 40 0 KGABRN CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000059837867 554444623 /nfs/dbraw/zinc/44/46/23/554444623.db2.gz ATPZCZILJJNVPU-UHFFFAOYSA-N 0 0 534.487 3.105 40 0 KGABRN NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000059837871 554444604 /nfs/dbraw/zinc/44/46/04/554444604.db2.gz AANGUMMFNAVPLJ-UHFFFAOYSA-N 0 0 586.917 3.257 40 0 KGABRN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1 ZINC000059837874 554444671 /nfs/dbraw/zinc/44/46/71/554444671.db2.gz DLFTYFYYZUSMQG-UHFFFAOYSA-N 0 0 557.738 3.412 40 0 KGABRN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 ZINC000059837877 554444687 /nfs/dbraw/zinc/44/46/87/554444687.db2.gz BBDVTUZBYHXFPL-UHFFFAOYSA-N 0 0 599.775 3.183 40 0 KGABRN Cc1ccc(CN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000059837884 554444626 /nfs/dbraw/zinc/44/46/26/554444626.db2.gz MLEZRHUSQZFVQY-UHFFFAOYSA-N 0 0 599.775 3.448 40 0 KGABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C2CCCCC2)c(C)c1 ZINC000059837891 554444654 /nfs/dbraw/zinc/44/46/54/554444654.db2.gz SWNPASLUSLJWDN-UHFFFAOYSA-N 0 0 577.769 3.273 40 0 KGABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2ccc(Cl)cc2)c(C)c1 ZINC000059837894 554444660 /nfs/dbraw/zinc/44/46/60/554444660.db2.gz VGMPKECSJBRKEY-UHFFFAOYSA-N 0 0 550.102 3.420 40 0 KGABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccccc1 ZINC000059837910 554444875 /nfs/dbraw/zinc/44/48/75/554444875.db2.gz ZGPLFMRDKDTTPR-UHFFFAOYSA-N 0 0 571.721 3.295 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)Cc2ccccc2)cc1C ZINC000059837923 554444835 /nfs/dbraw/zinc/44/48/35/554444835.db2.gz NZDFEAZFCSWJQW-UHFFFAOYSA-N 0 0 571.721 3.295 40 0 KGABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC000059837939 554444854 /nfs/dbraw/zinc/44/48/54/554444854.db2.gz BBDWIXJWCVPOTP-UHFFFAOYSA-N 0 0 557.694 3.300 40 0 KGABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)cc1 ZINC000059837945 554444830 /nfs/dbraw/zinc/44/48/30/554444830.db2.gz JGZHAAGVFPAAOI-UHFFFAOYSA-N 0 0 566.101 3.419 40 0 KGABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000059837949 554444808 /nfs/dbraw/zinc/44/48/08/554444808.db2.gz ITPRSQWXROLDNO-UHFFFAOYSA-N 0 0 608.138 3.190 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)Cc2ccccc2)cc1Cl ZINC000059837955 554444814 /nfs/dbraw/zinc/44/48/14/554444814.db2.gz KVJULXOXCVUPDH-UHFFFAOYSA-N 0 0 566.101 3.106 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C2CCCCC2)cc1Cl ZINC000059837965 554444797 /nfs/dbraw/zinc/44/47/97/554444797.db2.gz XEQFDKSKQNRTTG-UHFFFAOYSA-N 0 0 558.122 3.239 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C2CCCCC2)cc1Cl ZINC000059837974 554445210 /nfs/dbraw/zinc/44/52/10/554445210.db2.gz MVFNQYYCLAPBHV-UHFFFAOYSA-N 0 0 600.159 3.009 40 0 KGABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000059837979 554445183 /nfs/dbraw/zinc/44/51/83/554445183.db2.gz ZKGAUVQPGYNEPC-UHFFFAOYSA-N 0 0 580.128 3.149 40 0 KGABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C ZINC000059837994 554445167 /nfs/dbraw/zinc/44/51/67/554445167.db2.gz URAAZKSKBQUOTN-UHFFFAOYSA-N 0 0 585.748 3.338 40 0 KGABRN CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000059838005 554445186 /nfs/dbraw/zinc/44/51/86/554445186.db2.gz QKELWMZFNHVZBO-UHFFFAOYSA-N 0 0 548.514 3.495 40 0 KGABRN CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000059838008 554445204 /nfs/dbraw/zinc/44/52/04/554445204.db2.gz OJHVSWPQMSASMY-UHFFFAOYSA-N 0 0 534.487 3.105 40 0 KGABRN COc1ccc(N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000059838022 554445218 /nfs/dbraw/zinc/44/52/18/554445218.db2.gz MBFSHNYJTAJYCH-UHFFFAOYSA-N 0 0 587.720 3.308 40 0 KGABRN COc1ccc(N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl ZINC000059838029 554445200 /nfs/dbraw/zinc/44/52/00/554445200.db2.gz PIYSSGDIBOJXGR-UHFFFAOYSA-N 0 0 596.127 3.428 40 0 KGABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccc(C)c(Cl)c1 ZINC000059838034 554445150 /nfs/dbraw/zinc/44/51/50/554445150.db2.gz BNORSTVHNQQYPY-UHFFFAOYSA-N 0 0 552.074 3.125 40 0 KGABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C)c(Cl)c1 ZINC000059838043 554445349 /nfs/dbraw/zinc/44/53/49/554445349.db2.gz HFSCBMYVVXMHHU-UHFFFAOYSA-N 0 0 622.165 3.498 40 0 KGABRN COc1cccc(N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000059838051 554445344 /nfs/dbraw/zinc/44/53/44/554445344.db2.gz VNDALLGBXZLWHL-UHFFFAOYSA-N 0 0 587.720 3.308 40 0 KGABRN CCOc1ccc(N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000059838060 554445409 /nfs/dbraw/zinc/44/54/09/554445409.db2.gz ATFVNRYXCFGAHO-UHFFFAOYSA-N 0 0 575.709 3.164 40 0 KGABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)Cc2ccccc2)cc1C ZINC000059838071 554445374 /nfs/dbraw/zinc/44/53/74/554445374.db2.gz AOTWKBHXSRBRON-UHFFFAOYSA-N 0 0 559.710 3.151 40 0 KGABRN CS(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000059838088 554445334 /nfs/dbraw/zinc/44/53/34/554445334.db2.gz QHFYLMJLTLJTJM-UHFFFAOYSA-N 0 0 548.514 3.246 40 0 KGABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)Cc2ccccc2)cc1 ZINC000059838109 554445357 /nfs/dbraw/zinc/44/53/57/554445357.db2.gz QRTHEJHNKQTOMS-UHFFFAOYSA-N 0 0 571.721 3.377 40 0 KGABRN COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccccc1 ZINC000059838124 554445594 /nfs/dbraw/zinc/44/55/94/554445594.db2.gz JNVIIIKNASUGNR-UHFFFAOYSA-N 0 0 566.101 3.106 40 0 KGABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl ZINC000059838135 554445641 /nfs/dbraw/zinc/44/56/41/554445641.db2.gz IMRRUDFXBMJLPZ-UHFFFAOYSA-N 0 0 558.122 3.240 40 0 KGABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)Cc2ccccc2)cc1Cl ZINC000059838147 554445642 /nfs/dbraw/zinc/44/56/42/554445642.db2.gz FOLCRWRVWXGDNT-UHFFFAOYSA-N 0 0 580.128 3.496 40 0 KGABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2ccccc2)cc1Cl ZINC000059838153 554445645 /nfs/dbraw/zinc/44/56/45/554445645.db2.gz TYALCGDAQXWETD-UHFFFAOYSA-N 0 0 622.165 3.267 40 0 KGABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000059838195 554445788 /nfs/dbraw/zinc/44/57/88/554445788.db2.gz YYCOGUHCAJQBQI-MHZLTWQESA-N 0 0 555.722 3.376 40 0 KGABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000059838198 554445740 /nfs/dbraw/zinc/44/57/40/554445740.db2.gz YYCOGUHCAJQBQI-HHHXNRCGSA-N 0 0 555.722 3.376 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000059838226 554445836 /nfs/dbraw/zinc/44/58/36/554445836.db2.gz RQCJLVTZTNPDKF-VWLOTQADSA-N 0 0 562.113 3.331 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000059838229 554445735 /nfs/dbraw/zinc/44/57/35/554445735.db2.gz RQCJLVTZTNPDKF-RUZDIDTESA-N 0 0 562.113 3.331 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000059838249 554445791 /nfs/dbraw/zinc/44/57/91/554445791.db2.gz RHHGCYNJGQHBCF-VWLOTQADSA-N 0 0 606.564 3.440 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000059838253 554445782 /nfs/dbraw/zinc/44/57/82/554445782.db2.gz RHHGCYNJGQHBCF-RUZDIDTESA-N 0 0 606.564 3.440 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000059838263 554445814 /nfs/dbraw/zinc/44/58/14/554445814.db2.gz PCNLEMPYCPYBCG-SANMLTNESA-N 0 0 541.695 3.067 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000059838266 554446196 /nfs/dbraw/zinc/44/61/96/554446196.db2.gz PCNLEMPYCPYBCG-AREMUKBSSA-N 0 0 541.695 3.067 40 0 KGABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1 ZINC000059838275 554446151 /nfs/dbraw/zinc/44/61/51/554446151.db2.gz ZXNPDSWJHUBJNB-VWLOTQADSA-N 0 0 543.711 3.068 40 0 KGABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1 ZINC000059838277 554446128 /nfs/dbraw/zinc/44/61/28/554446128.db2.gz ZXNPDSWJHUBJNB-RUZDIDTESA-N 0 0 543.711 3.068 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC ZINC000059838306 554446066 /nfs/dbraw/zinc/44/60/66/554446066.db2.gz LXGMFVAQPWWTEV-SANMLTNESA-N 0 0 601.747 3.084 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC ZINC000059838309 554446112 /nfs/dbraw/zinc/44/61/12/554446112.db2.gz LXGMFVAQPWWTEV-AREMUKBSSA-N 0 0 601.747 3.084 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl ZINC000059838340 554446168 /nfs/dbraw/zinc/44/61/68/554446168.db2.gz PSLPDDSAPBOACH-VWLOTQADSA-N 0 0 592.139 3.339 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl ZINC000059838343 554446120 /nfs/dbraw/zinc/44/61/20/554446120.db2.gz PSLPDDSAPBOACH-RUZDIDTESA-N 0 0 592.139 3.339 40 0 KGABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059838354 554446262 /nfs/dbraw/zinc/44/62/62/554446262.db2.gz QFTRTSMMWNIPHE-SANMLTNESA-N 0 0 585.748 3.384 40 0 KGABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059838356 554446290 /nfs/dbraw/zinc/44/62/90/554446290.db2.gz QFTRTSMMWNIPHE-AREMUKBSSA-N 0 0 585.748 3.384 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000059838370 554446318 /nfs/dbraw/zinc/44/63/18/554446318.db2.gz SGBBJYYTKFRRLO-SANMLTNESA-N 0 0 559.685 3.206 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000059838372 554446333 /nfs/dbraw/zinc/44/63/33/554446333.db2.gz SGBBJYYTKFRRLO-AREMUKBSSA-N 0 0 559.685 3.206 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000059838391 554446351 /nfs/dbraw/zinc/44/63/51/554446351.db2.gz NXPASIFMXLCODW-MHZLTWQESA-N 0 0 585.748 3.384 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000059838393 554446297 /nfs/dbraw/zinc/44/62/97/554446297.db2.gz NXPASIFMXLCODW-HHHXNRCGSA-N 0 0 585.748 3.384 40 0 KGABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059838424 554446249 /nfs/dbraw/zinc/44/62/49/554446249.db2.gz QFIJBMHMWBXLJC-DEOSSOPVSA-N 0 0 592.139 3.339 40 0 KGABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059838428 554446629 /nfs/dbraw/zinc/44/66/29/554446629.db2.gz QFIJBMHMWBXLJC-XMMPIXPASA-N 0 0 592.139 3.339 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000059838438 554446641 /nfs/dbraw/zinc/44/66/41/554446641.db2.gz YOPJNUWRDUAYCK-UHFFFAOYSA-N 0 0 540.107 3.232 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000059838449 554446651 /nfs/dbraw/zinc/44/66/51/554446651.db2.gz MLNMMDSEHDNSRL-UHFFFAOYSA-N 0 0 584.558 3.341 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000059838481 554446649 /nfs/dbraw/zinc/44/66/49/554446649.db2.gz SPAQEZLCZXZTIC-UHFFFAOYSA-N 0 0 560.525 3.495 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000059838492 554446591 /nfs/dbraw/zinc/44/65/91/554446591.db2.gz HWGHNKFDPKOMJI-HXUWFJFHSA-N 0 0 540.107 3.232 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000059838495 554446625 /nfs/dbraw/zinc/44/66/25/554446625.db2.gz HWGHNKFDPKOMJI-FQEVSTJZSA-N 0 0 540.107 3.232 40 0 KGABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1Cl ZINC000059838519 554446597 /nfs/dbraw/zinc/44/65/97/554446597.db2.gz ZOBDBSSUKRKFRK-UHFFFAOYSA-N 0 0 570.133 3.240 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000059838551 554446785 /nfs/dbraw/zinc/44/67/85/554446785.db2.gz AFXMVEZMBGCAOQ-HXUWFJFHSA-N 0 0 584.558 3.341 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000059838554 554446808 /nfs/dbraw/zinc/44/68/08/554446808.db2.gz AFXMVEZMBGCAOQ-FQEVSTJZSA-N 0 0 584.558 3.341 40 0 KGABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1Cl ZINC000059838599 554446802 /nfs/dbraw/zinc/44/68/02/554446802.db2.gz DACNXEUXNOGFQB-FQEVSTJZSA-N 0 0 570.133 3.240 40 0 KGABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1Cl ZINC000059838604 554446793 /nfs/dbraw/zinc/44/67/93/554446793.db2.gz DACNXEUXNOGFQB-HXUWFJFHSA-N 0 0 570.133 3.240 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000059838628 554447100 /nfs/dbraw/zinc/44/71/00/554447100.db2.gz OFYFOWCONVEHQQ-GOSISDBHSA-N 0 0 560.525 3.495 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000059838630 554447049 /nfs/dbraw/zinc/44/70/49/554447049.db2.gz OFYFOWCONVEHQQ-SFHVURJKSA-N 0 0 560.525 3.495 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000059838666 554447110 /nfs/dbraw/zinc/44/71/10/554447110.db2.gz QEGUXOUUGSVNKB-DEOSSOPVSA-N 0 0 541.695 3.341 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000059838669 554447080 /nfs/dbraw/zinc/44/70/80/554447080.db2.gz QEGUXOUUGSVNKB-XMMPIXPASA-N 0 0 541.695 3.341 40 0 KGABRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000059838684 554447114 /nfs/dbraw/zinc/44/71/14/554447114.db2.gz DVPMPWNPGTUUDF-UHFFFAOYSA-N 0 0 541.695 3.341 40 0 KGABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1C ZINC000059838748 554447310 /nfs/dbraw/zinc/44/73/10/554447310.db2.gz ZMEUFMMKAPMZJS-UHFFFAOYSA-N 0 0 563.742 3.285 40 0 KGABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000059838758 554447323 /nfs/dbraw/zinc/44/73/23/554447323.db2.gz WCTKRKAZUKOFKJ-UHFFFAOYSA-N 0 0 570.133 3.240 40 0 KGABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1C ZINC000059838775 554447345 /nfs/dbraw/zinc/44/73/45/554447345.db2.gz AYVCVWPXNMUOFJ-QHCPKHFHSA-N 0 0 563.742 3.285 40 0 KGABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1C ZINC000059838778 554447332 /nfs/dbraw/zinc/44/73/32/554447332.db2.gz AYVCVWPXNMUOFJ-HSZRJFAPSA-N 0 0 563.742 3.285 40 0 KGABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000059838788 554447585 /nfs/dbraw/zinc/44/75/85/554447585.db2.gz UKGUHAWMKGTRCS-UHFFFAOYSA-N 0 0 570.133 3.240 40 0 KGABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000059838803 554447619 /nfs/dbraw/zinc/44/76/19/554447619.db2.gz XANCTJDMHSSDJM-FQEVSTJZSA-N 0 0 570.133 3.240 40 0 KGABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000059838806 554447598 /nfs/dbraw/zinc/44/75/98/554447598.db2.gz XANCTJDMHSSDJM-HXUWFJFHSA-N 0 0 570.133 3.240 40 0 KGABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1Cl ZINC000059838826 554447588 /nfs/dbraw/zinc/44/75/88/554447588.db2.gz MBTKQPBENSROEH-UHFFFAOYSA-N 0 0 570.133 3.240 40 0 KGABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1Cl ZINC000059838842 554447615 /nfs/dbraw/zinc/44/76/15/554447615.db2.gz RQRGYLVWSXKZDB-FQEVSTJZSA-N 0 0 570.133 3.240 40 0 KGABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1Cl ZINC000059838843 554447608 /nfs/dbraw/zinc/44/76/08/554447608.db2.gz RQRGYLVWSXKZDB-HXUWFJFHSA-N 0 0 570.133 3.240 40 0 KGABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000059838858 554447807 /nfs/dbraw/zinc/44/78/07/554447807.db2.gz SUYDXHZWFWCFHR-FQEVSTJZSA-N 0 0 570.133 3.240 40 0 KGABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000059838860 554447822 /nfs/dbraw/zinc/44/78/22/554447822.db2.gz SUYDXHZWFWCFHR-HXUWFJFHSA-N 0 0 570.133 3.240 40 0 KGABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000059838873 554447828 /nfs/dbraw/zinc/44/78/28/554447828.db2.gz YOQRXHVVNCSTCZ-UHFFFAOYSA-N 0 0 563.742 3.320 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059838908 554447815 /nfs/dbraw/zinc/44/78/15/554447815.db2.gz ANPQDHDFHKTMTP-UHFFFAOYSA-N 0 0 549.715 3.167 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059838918 554447811 /nfs/dbraw/zinc/44/78/11/554447811.db2.gz FQIJSSAHPXKBRR-UHFFFAOYSA-N 0 0 571.721 3.077 40 0 KGABRN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)c1ccccc1 ZINC000059851745 554448567 /nfs/dbraw/zinc/44/85/67/554448567.db2.gz QLCJJHOXSBDNRA-NRFANRHFSA-N 0 0 557.694 3.206 40 0 KGABRN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)c1ccccc1 ZINC000059851752 554448532 /nfs/dbraw/zinc/44/85/32/554448532.db2.gz QLCJJHOXSBDNRA-OAQYLSRUSA-N 0 0 557.694 3.206 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059851762 554448525 /nfs/dbraw/zinc/44/85/25/554448525.db2.gz YZBMVOWRMDCMPC-UHFFFAOYSA-N 0 0 557.694 3.035 40 0 KGABRN CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000059851774 554448573 /nfs/dbraw/zinc/44/85/73/554448573.db2.gz VEMIDWAFJBOFER-UHFFFAOYSA-N 0 0 571.721 3.377 40 0 KGABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1 ZINC000059851782 554448895 /nfs/dbraw/zinc/44/88/95/554448895.db2.gz XYJQXXWKSBVQQH-UHFFFAOYSA-N 0 0 543.667 3.276 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059851788 554448802 /nfs/dbraw/zinc/44/88/02/554448802.db2.gz GQIXQOGDGFMCLQ-UHFFFAOYSA-N 0 0 543.667 3.357 40 0 KGABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1C ZINC000059851799 554448868 /nfs/dbraw/zinc/44/88/68/554448868.db2.gz HGCYHGUYKJKATJ-UHFFFAOYSA-N 0 0 531.656 3.050 40 0 KGABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000059851816 554448881 /nfs/dbraw/zinc/44/88/81/554448881.db2.gz JXZCVZDSDHXABA-UHFFFAOYSA-N 0 0 543.667 3.276 40 0 KGABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)cc2)c1 ZINC000059851821 554448804 /nfs/dbraw/zinc/44/88/04/554448804.db2.gz CMCHTLYRKYCHHK-UHFFFAOYSA-N 0 0 531.656 3.050 40 0 KGABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c1 ZINC000059851834 554448792 /nfs/dbraw/zinc/44/87/92/554448792.db2.gz XRBZRJRSBSSDPZ-UHFFFAOYSA-N 0 0 543.667 3.276 40 0 KGABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)cc2)c1 ZINC000059851839 554448876 /nfs/dbraw/zinc/44/88/76/554448876.db2.gz QCRVLTFTXSAFKV-UHFFFAOYSA-N 0 0 531.656 3.050 40 0 KGABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)cc1 ZINC000059851852 554448840 /nfs/dbraw/zinc/44/88/40/554448840.db2.gz AWQBSMHSRFWOAT-UHFFFAOYSA-N 0 0 573.693 3.366 40 0 KGABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000059851858 554448808 /nfs/dbraw/zinc/44/88/08/554448808.db2.gz IESKCPGRAZNLMM-UHFFFAOYSA-N 0 0 538.047 3.086 40 0 KGABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1 ZINC000059851870 554449285 /nfs/dbraw/zinc/44/92/85/554449285.db2.gz FKZUDUGOKVMCNE-UHFFFAOYSA-N 0 0 573.693 3.366 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059851881 554449324 /nfs/dbraw/zinc/44/93/24/554449324.db2.gz FESFXRIHSYQZFY-UHFFFAOYSA-N 0 0 569.705 3.308 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059851892 554449277 /nfs/dbraw/zinc/44/92/77/554449277.db2.gz XNYVDWDMPHRDEH-UHFFFAOYSA-N 0 0 561.657 3.496 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059851896 554449207 /nfs/dbraw/zinc/44/92/07/554449207.db2.gz BMZGWBKEOGVSRR-UHFFFAOYSA-N 0 0 547.630 3.106 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059851901 554449135 /nfs/dbraw/zinc/44/91/35/554449135.db2.gz CGKGSXKIQDGPGA-UHFFFAOYSA-N 0 0 569.705 3.308 40 0 KGABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000059851909 554449252 /nfs/dbraw/zinc/44/92/52/554449252.db2.gz SSPIUMNBFJKBMH-UHFFFAOYSA-N 0 0 582.498 3.195 40 0 KGABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000059851922 554449259 /nfs/dbraw/zinc/44/92/59/554449259.db2.gz BDAFMIZCNIOFAC-UHFFFAOYSA-N 0 0 571.599 3.452 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059851932 554449176 /nfs/dbraw/zinc/44/91/76/554449176.db2.gz OOZWTAILAAUZGO-UHFFFAOYSA-N 0 0 613.636 3.222 40 0 KGABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1Cl ZINC000059851936 554449452 /nfs/dbraw/zinc/44/94/52/554449452.db2.gz YRWXNCIVBNQLJB-UHFFFAOYSA-N 0 0 568.073 3.095 40 0 KGABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)c1 ZINC000059851954 554449407 /nfs/dbraw/zinc/44/94/07/554449407.db2.gz ROUIUGMLAVAQGF-UHFFFAOYSA-N 0 0 573.693 3.366 40 0 KGABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1Cl ZINC000059851965 554449445 /nfs/dbraw/zinc/44/94/45/554449445.db2.gz OOLSVNOPQZMLEP-UHFFFAOYSA-N 0 0 552.074 3.395 40 0 KGABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1Cl ZINC000059851974 554449486 /nfs/dbraw/zinc/44/94/86/554449486.db2.gz HUTPYVUYNBHHSK-UHFFFAOYSA-N 0 0 594.111 3.165 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059851976 554449468 /nfs/dbraw/zinc/44/94/68/554449468.db2.gz FFUOZXBPISINGZ-UHFFFAOYSA-N 0 0 549.715 3.121 40 0 KGABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)c(C)c2)cc1 ZINC000059851997 554449439 /nfs/dbraw/zinc/44/94/39/554449439.db2.gz RHHHAQSFYJPDKL-UHFFFAOYSA-N 0 0 531.656 3.050 40 0 KGABRN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059852008 554449527 /nfs/dbraw/zinc/44/95/27/554449527.db2.gz ZDSGMHVMJLZMOJ-UHFFFAOYSA-N 0 0 563.742 3.476 40 0 KGABRN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059852013 554449402 /nfs/dbraw/zinc/44/94/02/554449402.db2.gz UTOUJGOAHQBWAR-UHFFFAOYSA-N 0 0 549.715 3.086 40 0 KGABRN Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059852025 554449870 /nfs/dbraw/zinc/44/98/70/554449870.db2.gz PACPAIAEXKLATG-UHFFFAOYSA-N 0 0 571.721 3.343 40 0 KGABRN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059852038 554449902 /nfs/dbraw/zinc/44/99/02/554449902.db2.gz RYNUITBAPXTHER-UHFFFAOYSA-N 0 0 569.705 3.226 40 0 KGABRN Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059852044 554449847 /nfs/dbraw/zinc/44/98/47/554449847.db2.gz ALQHSFDAKXDULH-UHFFFAOYSA-N 0 0 549.715 3.039 40 0 KGABRN Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000059852057 554449791 /nfs/dbraw/zinc/44/97/91/554449791.db2.gz SKPQKJFKMXWHHE-UHFFFAOYSA-N 0 0 557.694 3.082 40 0 KGABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059852077 554449818 /nfs/dbraw/zinc/44/98/18/554449818.db2.gz GFNWPCXSHFOJPG-UHFFFAOYSA-N 0 0 543.667 3.276 40 0 KGABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000059852086 554449905 /nfs/dbraw/zinc/44/99/05/554449905.db2.gz DKCZNMISWGDUQA-UHFFFAOYSA-N 0 0 552.074 3.395 40 0 KGABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059852092 554449811 /nfs/dbraw/zinc/44/98/11/554449811.db2.gz WIRZDSLHIQSFBV-UHFFFAOYSA-N 0 0 594.111 3.165 40 0 KGABRN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059852097 554449894 /nfs/dbraw/zinc/44/98/94/554449894.db2.gz CTFGLYGRKAVYCI-UHFFFAOYSA-N 0 0 561.657 3.415 40 0 KGABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)c(C)c2)cc1 ZINC000059852105 554450090 /nfs/dbraw/zinc/45/00/90/554450090.db2.gz RZCFYWDKOBOXRF-UHFFFAOYSA-N 0 0 561.682 3.140 40 0 KGABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)c(C)c2)cc1C ZINC000059852113 554449992 /nfs/dbraw/zinc/44/99/92/554449992.db2.gz OPPHHSYIFPZTMF-UHFFFAOYSA-N 0 0 545.683 3.358 40 0 KGABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c(C)c2)cc1C ZINC000059852121 554450116 /nfs/dbraw/zinc/45/01/16/554450116.db2.gz MSQFEILXZVVIMQ-UHFFFAOYSA-N 0 0 587.720 3.129 40 0 KGABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)cc1 ZINC000059852130 554450124 /nfs/dbraw/zinc/45/01/24/554450124.db2.gz QGKCIMQAYUMHHZ-UHFFFAOYSA-N 0 0 564.085 3.037 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059852142 554450005 /nfs/dbraw/zinc/45/00/05/554450005.db2.gz CXZPTPZSLGZXKP-UHFFFAOYSA-N 0 0 570.133 3.384 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059852160 554449989 /nfs/dbraw/zinc/44/99/89/554449989.db2.gz OBQWZQLEAASUPX-UHFFFAOYSA-N 0 0 570.133 3.431 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059852162 554450052 /nfs/dbraw/zinc/45/00/52/554450052.db2.gz ZUKFLKJUCYQSHR-UHFFFAOYSA-N 0 0 556.106 3.041 40 0 KGABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2Cl)cc1 ZINC000059852167 554450039 /nfs/dbraw/zinc/45/00/39/554450039.db2.gz NXIQMLMOBDZBBT-UHFFFAOYSA-N 0 0 538.047 3.086 40 0 KGABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)c(Cl)c2)cc1 ZINC000059852191 554450446 /nfs/dbraw/zinc/45/04/46/554450446.db2.gz LNOUCWXGNNSYML-UHFFFAOYSA-N 0 0 568.073 3.095 40 0 KGABRN NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000059852199 554450387 /nfs/dbraw/zinc/45/03/87/554450387.db2.gz MMYCAVUGUSQZOC-UHFFFAOYSA-N 0 0 544.438 3.137 40 0 KGABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(Cl)c1 ZINC000059852212 554450487 /nfs/dbraw/zinc/45/04/87/554450487.db2.gz OLAZBHWWNSHQBP-UHFFFAOYSA-N 0 0 558.122 3.288 40 0 KGABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)c(Cl)c2)cc1 ZINC000059852220 554450435 /nfs/dbraw/zinc/45/04/35/554450435.db2.gz YRNDBQKUUCHNEW-UHFFFAOYSA-N 0 0 582.100 3.485 40 0 KGABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c(Cl)c2)cc1 ZINC000059852227 554450489 /nfs/dbraw/zinc/45/04/89/554450489.db2.gz CNRSNSIXFKGMNK-UHFFFAOYSA-N 0 0 624.137 3.256 40 0 KGABRN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059852256 554450594 /nfs/dbraw/zinc/45/05/94/554450594.db2.gz ANEOOBWBAJPYNA-UHFFFAOYSA-N 0 0 555.722 3.241 40 0 KGABRN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059852268 554450671 /nfs/dbraw/zinc/45/06/71/554450671.db2.gz WELSBWSPZMHIIE-UHFFFAOYSA-N 0 0 541.695 3.199 40 0 KGABRN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1 ZINC000059852275 554450679 /nfs/dbraw/zinc/45/06/79/554450679.db2.gz JCTCQKBFVYLUFP-UHFFFAOYSA-N 0 0 557.694 3.066 40 0 KGABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000059852288 554450603 /nfs/dbraw/zinc/45/06/03/554450603.db2.gz DDBVJRPKDJLIIL-UHFFFAOYSA-N 0 0 541.695 3.327 40 0 KGABRN O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059852297 554450580 /nfs/dbraw/zinc/45/05/80/554450580.db2.gz HWAWXTIRNMDZFF-UHFFFAOYSA-N 0 0 583.732 3.098 40 0 KGABRN COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)NCc1ccccc1 ZINC000059852301 554450663 /nfs/dbraw/zinc/45/06/63/554450663.db2.gz MWWXFKDYSBPQEL-UHFFFAOYSA-N 0 0 557.694 3.278 40 0 KGABRN COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000059852316 554450599 /nfs/dbraw/zinc/45/05/99/554450599.db2.gz JKPFPECOJGHKBR-UHFFFAOYSA-N 0 0 549.715 3.365 40 0 KGABRN COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000059852325 554450941 /nfs/dbraw/zinc/45/09/41/554450941.db2.gz AANDMUPGVJYZOR-UHFFFAOYSA-N 0 0 571.721 3.321 40 0 KGABRN COc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000059852395 554451145 /nfs/dbraw/zinc/45/11/45/554451145.db2.gz RBGHJPTZGDJOMT-UHFFFAOYSA-N 0 0 535.688 3.438 40 0 KGABRN 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COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)c2ccc(F)cc2)cc1 ZINC000059852670 554452210 /nfs/dbraw/zinc/45/22/10/554452210.db2.gz DRDMPNCKYLAMHT-UHFFFAOYSA-N 0 0 565.645 3.364 40 0 KGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000059852680 554452460 /nfs/dbraw/zinc/45/24/60/554452460.db2.gz FPGMEMWQFYNVQO-UHFFFAOYSA-N 0 0 547.630 3.453 40 0 KGABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000059852751 554452611 /nfs/dbraw/zinc/45/26/11/554452611.db2.gz PHDXOKIMPVNKMJ-UHFFFAOYSA-N 0 0 560.525 3.375 40 0 KGABRN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000059852769 554452606 /nfs/dbraw/zinc/45/26/06/554452606.db2.gz OWDHMVYOLHYTFP-UHFFFAOYSA-N 0 0 566.057 3.423 40 0 KGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000059852772 554452624 /nfs/dbraw/zinc/45/26/24/554452624.db2.gz UGGPGXHAVLQRRB-UHFFFAOYSA-N 0 0 536.459 3.191 40 0 KGABRN 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COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000059928270 554476226 /nfs/dbraw/zinc/47/62/26/554476226.db2.gz SSGUWEZFTPCMLX-UHFFFAOYSA-N 0 0 528.583 3.474 40 0 KGABRN COC(=O)c1cc(NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc(C(=O)OC)c1 ZINC000059928282 554476198 /nfs/dbraw/zinc/47/61/98/554476198.db2.gz WEBPZLVHKGDAOQ-UHFFFAOYSA-N 0 0 526.567 3.244 40 0 KGABRN Cc1ccc(CN(c2ccc(OCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)S(C)(=O)=O)cc1 ZINC000059928347 554476432 /nfs/dbraw/zinc/47/64/32/554476432.db2.gz HOMBWCMDGXQNAD-UHFFFAOYSA-N 0 0 551.665 3.413 40 0 KGABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000059928724 554476881 /nfs/dbraw/zinc/47/68/81/554476881.db2.gz WYYSNQKWBMDAMR-UHFFFAOYSA-N 0 0 555.628 3.244 40 0 KGABRN COC(=O)c1cc(NC(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc(C(=O)OC)c1 ZINC000059928767 554476876 /nfs/dbraw/zinc/47/68/76/554476876.db2.gz JEVMCRDOZBOAFL-UHFFFAOYSA-N 0 0 544.557 3.383 40 0 KGABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000059929119 554477592 /nfs/dbraw/zinc/47/75/92/554477592.db2.gz FIDQVRIQYJBSLD-UHFFFAOYSA-N 0 0 555.628 3.244 40 0 KGABRN COC(=O)c1cc(NC(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc(C(=O)OC)c1 ZINC000059929164 554477555 /nfs/dbraw/zinc/47/75/55/554477555.db2.gz MUGDWPZYWLDFEO-UHFFFAOYSA-N 0 0 544.557 3.383 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1OC ZINC000059929440 554477909 /nfs/dbraw/zinc/47/79/09/554477909.db2.gz XYIOIZVDFMOXEE-SPNSGGJLSA-N 0 0 549.693 3.451 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1OC ZINC000059929445 554478027 /nfs/dbraw/zinc/47/80/27/554478027.db2.gz XYIOIZVDFMOXEE-WKMZLRSWSA-N 0 0 549.693 3.451 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000059929555 554478313 /nfs/dbraw/zinc/47/83/13/554478313.db2.gz MBGRJMMLFMRECK-DEOSSOPVSA-N 0 0 572.083 3.311 40 0 KGABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000059929565 554478364 /nfs/dbraw/zinc/47/83/64/554478364.db2.gz MBGRJMMLFMRECK-XMMPIXPASA-N 0 0 572.083 3.311 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000059929867 554478763 /nfs/dbraw/zinc/47/87/63/554478763.db2.gz IKKACUKAQUSRQX-SANMLTNESA-N 0 0 565.692 3.356 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000059929874 554478826 /nfs/dbraw/zinc/47/88/26/554478826.db2.gz IKKACUKAQUSRQX-AREMUKBSSA-N 0 0 565.692 3.356 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1C ZINC000059929901 554478856 /nfs/dbraw/zinc/47/88/56/554478856.db2.gz OPHGQEALHZCWKC-DEOSSOPVSA-N 0 0 554.621 3.495 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1C ZINC000059929904 554478793 /nfs/dbraw/zinc/47/87/93/554478793.db2.gz OPHGQEALHZCWKC-XMMPIXPASA-N 0 0 554.621 3.495 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000059930004 554479075 /nfs/dbraw/zinc/47/90/75/554479075.db2.gz UDUONQYDEBWGPR-SANMLTNESA-N 0 0 551.665 3.048 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000059930006 554479024 /nfs/dbraw/zinc/47/90/24/554479024.db2.gz UDUONQYDEBWGPR-AREMUKBSSA-N 0 0 551.665 3.048 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 ZINC000059930027 554479116 /nfs/dbraw/zinc/47/91/16/554479116.db2.gz LXLZEIDFOFLVCL-QHCPKHFHSA-N 0 0 542.610 3.417 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 ZINC000059930032 554479049 /nfs/dbraw/zinc/47/90/49/554479049.db2.gz LXLZEIDFOFLVCL-HSZRJFAPSA-N 0 0 542.610 3.417 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 ZINC000059930034 554479092 /nfs/dbraw/zinc/47/90/92/554479092.db2.gz STFROXISOAQGNS-DEOSSOPVSA-N 0 0 540.594 3.187 40 0 KGABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 ZINC000059930038 554479046 /nfs/dbraw/zinc/47/90/46/554479046.db2.gz STFROXISOAQGNS-XMMPIXPASA-N 0 0 540.594 3.187 40 0 KGABRN Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)CC1 ZINC000059930394 554480013 /nfs/dbraw/zinc/48/00/13/554480013.db2.gz LARLZFSICVTSPS-UHFFFAOYSA-N 0 0 528.458 3.050 40 0 KGABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000059930431 554479893 /nfs/dbraw/zinc/47/98/93/554479893.db2.gz WGERWHYIBYPKTJ-UHFFFAOYSA-N 0 0 547.983 3.107 40 0 KGABRN COC(=O)c1cc2cc(NC(=O)COc3ccc(Cl)cc3S(=O)(=O)N3CCOCC3)ccc2s1 ZINC000059930438 554479959 /nfs/dbraw/zinc/47/99/59/554479959.db2.gz WSRQICQVGVTSTD-UHFFFAOYSA-N 0 0 525.004 3.380 40 0 KGABRN COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000059930519 554480254 /nfs/dbraw/zinc/48/02/54/554480254.db2.gz ZMIIAAXZQIBWRD-UHFFFAOYSA-N 0 0 567.664 3.357 40 0 KGABRN COC(=O)c1cc(NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000059930555 554480250 /nfs/dbraw/zinc/48/02/50/554480250.db2.gz SSLIAYVCHQJICY-UHFFFAOYSA-N 0 0 556.593 3.496 40 0 KGABRN COc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000059930785 554480516 /nfs/dbraw/zinc/48/05/16/554480516.db2.gz YQMKJJIQDSSLFN-UHFFFAOYSA-N 0 0 554.046 3.223 40 0 KGABRN CCOC(=O)N1CCN(C(=O)c2cc(OC)c(OC)cc2N(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1 ZINC000059930867 554480813 /nfs/dbraw/zinc/48/08/13/554480813.db2.gz LKSOCLDMGWZYMP-UHFFFAOYSA-N 0 0 540.038 3.238 40 0 KGABRN COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000059931216 554481359 /nfs/dbraw/zinc/48/13/59/554481359.db2.gz XMFNTVLACKQULU-UHFFFAOYSA-N 0 0 585.654 3.496 40 0 KGABRN COC(=O)c1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059942111 554481885 /nfs/dbraw/zinc/48/18/85/554481885.db2.gz LXVFROGVMTZGPS-UHFFFAOYSA-N 0 0 512.584 3.363 40 0 KGABRN COC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059942116 554482181 /nfs/dbraw/zinc/48/21/81/554482181.db2.gz RMDXHJFAXZNNMY-UHFFFAOYSA-N 0 0 514.556 3.333 40 0 KGABRN COc1ccc([C@H](c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000059946790 554482109 /nfs/dbraw/zinc/48/21/09/554482109.db2.gz WNARXHNXZPZCMI-HHHXNRCGSA-N 0 0 532.670 3.329 40 0 KGABRN COc1ccc([C@@H](c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000059946792 554482159 /nfs/dbraw/zinc/48/21/59/554482159.db2.gz WNARXHNXZPZCMI-MHZLTWQESA-N 0 0 532.670 3.329 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059955342 554484113 /nfs/dbraw/zinc/48/41/13/554484113.db2.gz NXIOOKBRWWUXJV-SFHVURJKSA-N 0 0 532.640 3.180 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059955350 554484143 /nfs/dbraw/zinc/48/41/43/554484143.db2.gz NXIOOKBRWWUXJV-GOSISDBHSA-N 0 0 532.640 3.180 40 0 KGABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000059955940 554484494 /nfs/dbraw/zinc/48/44/94/554484494.db2.gz ZTWMXOGRQLDVHB-SFHVURJKSA-N 0 0 532.640 3.180 40 0 KGABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000059955945 554484430 /nfs/dbraw/zinc/48/44/30/554484430.db2.gz ZTWMXOGRQLDVHB-GOSISDBHSA-N 0 0 532.640 3.180 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000059965486 554484586 /nfs/dbraw/zinc/48/45/86/554484586.db2.gz IHQPLJCNAMWTIC-IBGZPJMESA-N 0 0 546.667 3.488 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000059965493 554484598 /nfs/dbraw/zinc/48/45/98/554484598.db2.gz IHQPLJCNAMWTIC-LJQANCHMSA-N 0 0 546.667 3.488 40 0 KGABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000059966093 554484676 /nfs/dbraw/zinc/48/46/76/554484676.db2.gz BWIBHZVDZOQCRN-IBGZPJMESA-N 0 0 546.667 3.488 40 0 KGABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000059966099 554484688 /nfs/dbraw/zinc/48/46/88/554484688.db2.gz BWIBHZVDZOQCRN-LJQANCHMSA-N 0 0 546.667 3.488 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccc(C)cc2)cc1OC ZINC000059980506 554484929 /nfs/dbraw/zinc/48/49/29/554484929.db2.gz VGOFGOLAZGDPMG-IBGZPJMESA-N 0 0 546.667 3.488 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccc(C)cc2)cc1OC ZINC000059980507 554484932 /nfs/dbraw/zinc/48/49/32/554484932.db2.gz VGOFGOLAZGDPMG-LJQANCHMSA-N 0 0 546.667 3.488 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2OC)cc1 ZINC000059982176 554485071 /nfs/dbraw/zinc/48/50/71/554485071.db2.gz UQVXVVZWQOLTBQ-SFHVURJKSA-N 0 0 532.640 3.180 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2OC)cc1 ZINC000059982183 554485064 /nfs/dbraw/zinc/48/50/64/554485064.db2.gz UQVXVVZWQOLTBQ-GOSISDBHSA-N 0 0 532.640 3.180 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccc(F)cc2)cc1OC ZINC000059983979 554485357 /nfs/dbraw/zinc/48/53/57/554485357.db2.gz DRFPASRLPCYXEN-KRWDZBQOSA-N 0 0 550.630 3.319 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccc(F)cc2)cc1OC ZINC000059983981 554485435 /nfs/dbraw/zinc/48/54/35/554485435.db2.gz DRFPASRLPCYXEN-QGZVFWFLSA-N 0 0 550.630 3.319 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)cc1OC ZINC000059984150 554485361 /nfs/dbraw/zinc/48/53/61/554485361.db2.gz XANWOLCYNOSHKF-SFHVURJKSA-N 0 0 532.640 3.180 40 0 KGABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)cc1OC ZINC000059984154 554485415 /nfs/dbraw/zinc/48/54/15/554485415.db2.gz XANWOLCYNOSHKF-GOSISDBHSA-N 0 0 532.640 3.180 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000059984588 554485413 /nfs/dbraw/zinc/48/54/13/554485413.db2.gz AOHQBWYNKIAFKG-SFHVURJKSA-N 0 0 592.692 3.197 40 0 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O=C(NCN(CNC(=O)c1ccccc1)N(CNC(=O)c1ccccc1)CNC(=O)c1ccccc1)c1ccccc1 ZINC000068606217 553592893 /nfs/dbraw/zinc/59/28/93/553592893.db2.gz LRGGNDQPLXPLIU-UHFFFAOYSA-N 0 0 564.646 3.055 40 0 KGABRN COc1cc2c(c(OC)c1OC)-c1c3cc4c(c1OC[C@@H](C)[C@@](C)(O)C(=O)O[C@@H]2[C@@](C)(O)[C@@H](C)C3)OCO4 ZINC000070454391 553593961 /nfs/dbraw/zinc/59/39/61/553593961.db2.gz VLLFEMVDMFTBHG-KMIFWYFFSA-N 0 0 530.570 3.415 40 0 biogenic,in-vitro KGABRN O=C(OC[C@H]1O[C@@H](n2ncc(Cl)nc2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000070665168 553595828 /nfs/dbraw/zinc/59/58/28/553595828.db2.gz FSALUYDNLZJSHA-DDKRZIBASA-N 0 0 575.961 3.497 40 0 KGABRN O=C(OC[C@H]1O[C@@H](n2ncc(Cl)nc2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000070665170 553595848 /nfs/dbraw/zinc/59/58/48/553595848.db2.gz FSALUYDNLZJSHA-MJTJJFPGSA-N 0 0 575.961 3.497 40 0 KGABRN O=C(OC[C@H]1O[C@@H](n2ncc(Cl)nc2=O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000070665173 553595840 /nfs/dbraw/zinc/59/58/40/553595840.db2.gz FSALUYDNLZJSHA-RVFVQDDPSA-N 0 0 575.961 3.497 40 0 KGABRN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(O)c(OC)c1 ZINC000070699891 553617461 /nfs/dbraw/zinc/61/74/61/553617461.db2.gz GTSHSTJFTSYFBU-HGYUMDDNSA-N 0 0 535.641 3.451 40 0 KGABRN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000070700797 553619437 /nfs/dbraw/zinc/61/94/37/553619437.db2.gz HIHNMCOMSIMZIS-HGYUMDDNSA-N 0 0 533.625 3.465 40 0 KGABRN Cc1ccc(N(C(=O)[C@H]2N3C(=O)C[C@@H]3S(=O)(=O)C2(C)C)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1 ZINC000070707694 553631486 /nfs/dbraw/zinc/63/14/86/553631486.db2.gz FHUWNMHGDNWYME-KKUQBAQOSA-N 0 0 553.681 3.358 40 0 KGABRN Cc1ccc(N(C(=O)[C@H]2N3C(=O)C[C@@H]3S(=O)(=O)C2(C)C)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1 ZINC000070707697 553631477 /nfs/dbraw/zinc/63/14/77/553631477.db2.gz FHUWNMHGDNWYME-JIMJEQGWSA-N 0 0 553.681 3.358 40 0 KGABRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)C=O ZINC000071788525 553639472 /nfs/dbraw/zinc/63/94/72/553639472.db2.gz HKFKZFVHAUUKCW-GSDHBNRESA-N 0 0 553.656 3.060 40 0 KGABRN CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC(=O)OC(C)(C)C ZINC000072130498 553642056 /nfs/dbraw/zinc/64/20/56/553642056.db2.gz XSTLYYSUOLGWPF-XGAJZPNHSA-N 0 0 570.749 3.425 40 0 in-vitro KGABRN CCCc1nn(C)c2c1nc(-c1cc(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)ccc1OCC)[nH]c2=O ZINC000072130508 553642042 /nfs/dbraw/zinc/64/20/42/553642042.db2.gz YPOYLHNWQKDIMR-UHFFFAOYSA-N 0 0 538.649 3.410 40 0 in-vitro KGABRN O=C(OC[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000072131187 553642529 /nfs/dbraw/zinc/64/25/29/553642529.db2.gz OGKGUIKIBDTIHT-QRVBRYPASA-N 0 0 523.300 3.353 40 0 in-vitro KGABRN C[C@H](N[C@@H](CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N1C(=O)N(C)C[C@H]1C(=O)OC(C)(C)C ZINC000072131435 553642770 /nfs/dbraw/zinc/64/27/70/553642770.db2.gz JSROFURYAHZGNA-OYDLWJJNSA-N 0 0 523.630 3.314 40 0 in-vitro KGABRN C[C@@]1(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1ccc(N)nc1=O ZINC000072131598 553643388 /nfs/dbraw/zinc/64/33/88/553643388.db2.gz IRAMWHWZWCXMKB-RDWHIKKYSA-N 0 0 569.570 3.421 40 0 in-vitro KGABRN COc1cc(/C=C/C(=O)O[C@@H](Cc2c(C)c3ccc(NC(=O)N4CCOCC4)cc3oc2=O)CN2CCOCC2)cc(OC)c1OC ZINC000072266873 553646555 /nfs/dbraw/zinc/64/65/55/553646555.db2.gz GWZZGHHMOLPYSZ-AAHGLTIQSA-N 0 0 651.713 3.491 40 0 in-man KGABRN COc1cc(/C=C/C(=O)O[C@H](Cc2c(C)c3ccc(NC(=O)N4CCOCC4)cc3oc2=O)CN2CCOCC2)cc(OC)c1OC ZINC000072266874 553646481 /nfs/dbraw/zinc/64/64/81/553646481.db2.gz GWZZGHHMOLPYSZ-JLEGMICCSA-N 0 0 651.713 3.491 40 0 in-man KGABRN COc1ccc(CN2C(=O)CO[C@H](c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)[C@H]2CO)cc1 ZINC000072321330 553647962 /nfs/dbraw/zinc/64/79/62/553647962.db2.gz QPBHEXAJRWTVAD-ILBGXUMGSA-N 0 0 500.548 3.096 40 0 biogenic,in-vitro KGABRN CC1(C)OC[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)O1 ZINC000072324087 553647980 /nfs/dbraw/zinc/64/79/80/553647980.db2.gz MIJMDMUBCDQQSU-VFRMFGFGSA-N 0 0 541.597 3.464 40 0 KGABRN CC1(C)OC[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@H]3[C@@H]2OC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)O1 ZINC000072324088 553647935 /nfs/dbraw/zinc/64/79/35/553647935.db2.gz MIJMDMUBCDQQSU-NTNLDWJCSA-N 0 0 541.597 3.464 40 0 KGABRN O=C(COC(=O)Cn1c(C(=O)OCC(=O)NC2CCCCC2)cc2sccc21)NC1CCCCC1 ZINC000072336301 553650971 /nfs/dbraw/zinc/65/09/71/553650971.db2.gz NTFIRVCETWAVAS-UHFFFAOYSA-N 0 0 503.621 3.301 40 0 KGABRN Cc1cc(C)n(-c2ccc(OCC(=O)N3CC[C@H](c4cc5nc(C)cc(C(F)(F)F)n5n4)C3)nn2)n1 ZINC000072341326 553650876 /nfs/dbraw/zinc/65/08/76/553650876.db2.gz YQRBIGJYNKKBHX-INIZCTEOSA-N 0 0 500.485 3.044 40 0 KGABRN Cc1cc(C)n(-c2ccc(OCC(=O)N3CC[C@@H](c4cc5nc(C)cc(C(F)(F)F)n5n4)C3)nn2)n1 ZINC000072341327 553650909 /nfs/dbraw/zinc/65/09/09/553650909.db2.gz YQRBIGJYNKKBHX-MRXNPFEDSA-N 0 0 500.485 3.044 40 0 KGABRN CCCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)N[C@@H](c2ccc(OC)cc2)[C@H](C(=O)OCCC)S1(=O)=O ZINC000073242083 553652353 /nfs/dbraw/zinc/65/23/53/553652353.db2.gz BAQKNEIUYUJSDG-UEQSERJNSA-N 0 0 519.616 3.148 40 0 KGABRN CCCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)[C@@H](C(=O)OCCC)S1(=O)=O ZINC000073242085 553652377 /nfs/dbraw/zinc/65/23/77/553652377.db2.gz BAQKNEIUYUJSDG-YCAMKHIRSA-N 0 0 519.616 3.148 40 0 KGABRN CCCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)[C@H](C(=O)OCCC)S1(=O)=O ZINC000073242087 553652302 /nfs/dbraw/zinc/65/23/02/553652302.db2.gz BAQKNEIUYUJSDG-MOUTVQLLSA-N 0 0 519.616 3.148 40 0 KGABRN CC(=O)O[C@@H]1/C=C\[C@@](C)(O)C(=O)[C@@H](C)C/C=C\[C@@H]2[C@@H](O)C(C)=C(C)[C@H]3[C@@H](Cc4ccccc4)NC(=O)[C@@]321 ZINC000076945162 553654182 /nfs/dbraw/zinc/65/41/82/553654182.db2.gz NAIODHJWOHMDJX-FJIVKIAZSA-N 0 0 507.627 3.061 40 0 in-vitro KGABRN CC(=O)O[C@@H]1/C=C\[C@@](C)(O)C(=O)[C@@H](C)C/C=C\[C@H]2[C@@H](O)C(C)=C(C)[C@H]3[C@@H](Cc4ccccc4)NC(=O)[C@@]321 ZINC000076945166 553654122 /nfs/dbraw/zinc/65/41/22/553654122.db2.gz NAIODHJWOHMDJX-TVZAGMGWSA-N 0 0 507.627 3.061 40 0 in-vitro KGABRN CC(=O)O[C@@H]1/C=C\[C@@](C)(O)C(=O)[C@@H](C)C/C=C\[C@H]2[C@@H](O)C(C)=C(C)[C@@H]3[C@@H](Cc4ccccc4)NC(=O)[C@@]321 ZINC000076945171 553654217 /nfs/dbraw/zinc/65/42/17/553654217.db2.gz NAIODHJWOHMDJX-UXFOOVGGSA-N 0 0 507.627 3.061 40 0 in-vitro KGABRN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000077273226 553657241 /nfs/dbraw/zinc/65/72/41/553657241.db2.gz AIDMEYLMNJVABB-KMDNEMHUSA-N 0 0 644.706 3.238 40 0 in-vitro KGABRN COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000077292199 553659318 /nfs/dbraw/zinc/65/93/18/553659318.db2.gz TYKLFSHXKYZPFF-JSQRUJIWSA-N 0 0 588.650 3.327 40 0 in-vitro KGABRN CC/C(=C(/c1ccc(OCC[NH+](C)C)cc1)c1cccc(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c1)c1ccccc1 ZINC000077301003 553660603 /nfs/dbraw/zinc/66/06/03/553660603.db2.gz LLJQVSGWCSTGGW-OFKVRPASSA-N 0 0 563.647 3.267 40 0 in-vitro KGABRN Cc1c(O)cccc1C(=O)N[C@@H](CS(=O)(=O)c1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000077311608 553662646 /nfs/dbraw/zinc/66/26/46/553662646.db2.gz CKCOHFQEUWGPMO-HKWSIXNMSA-N 0 0 599.794 3.429 40 0 in-vitro KGABRN CC(=O)O[C@@H]1[C@@H](COP(=O)(Oc2ccccc2)Oc2ccccc2)O[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000077313339 553664508 /nfs/dbraw/zinc/66/45/08/553664508.db2.gz IKZZNFIJWMQZMQ-PUHDZGQXSA-N 0 0 580.479 3.352 40 0 in-vitro KGABRN CC(C)(C)C(=O)OC[C@@H](O)[C@@H]1O[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C ZINC000077319303 553664892 /nfs/dbraw/zinc/66/48/92/553664892.db2.gz QKVPHRSJRTWUAC-ICUGJSFKSA-N 0 0 516.628 3.167 40 0 in-vitro KGABRN CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000079209972 553670212 /nfs/dbraw/zinc/67/02/12/553670212.db2.gz PHGHKHVDCGNPQE-URYJJRPLSA-N 0 0 637.432 3.042 40 0 KGABRN CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000079209978 553670258 /nfs/dbraw/zinc/67/02/58/553670258.db2.gz PHGHKHVDCGNPQE-VNFNVIIVSA-N 0 0 637.432 3.042 40 0 KGABRN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc4c(c2)OCCCO4)c3=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000079210011 553670202 /nfs/dbraw/zinc/67/02/02/553670202.db2.gz BLRBRAOBLXHYAY-QMVABORWSA-N 0 0 640.594 3.083 40 0 KGABRN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc4c(c2)OCCCO4)c3=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000079210022 553670265 /nfs/dbraw/zinc/67/02/65/553670265.db2.gz BLRBRAOBLXHYAY-UPNJXQDPSA-N 0 0 640.594 3.083 40 0 KGABRN 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YIRVTUIRXBFBGJ-AJTFRIOCSA-N 0 0 566.659 3.457 40 0 KGABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000100277343 554275043 /nfs/dbraw/zinc/27/50/43/554275043.db2.gz TYHBJFHWBQFYKZ-IGKIAQTJSA-N 0 0 562.602 3.455 40 0 KGABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000100277344 554275007 /nfs/dbraw/zinc/27/50/07/554275007.db2.gz TYHBJFHWBQFYKZ-RPLLCQBOSA-N 0 0 562.602 3.455 40 0 KGABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000100277347 554274940 /nfs/dbraw/zinc/27/49/40/554274940.db2.gz TYHBJFHWBQFYKZ-SQHAQQRYSA-N 0 0 562.602 3.455 40 0 KGABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000100277348 554275263 /nfs/dbraw/zinc/27/52/63/554275263.db2.gz TYHBJFHWBQFYKZ-SHQCIBLASA-N 0 0 562.602 3.455 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277355 554275262 /nfs/dbraw/zinc/27/52/62/554275262.db2.gz VIPDNRYOSSRINE-NGQVCNFZSA-N 0 0 632.649 3.290 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277357 554275246 /nfs/dbraw/zinc/27/52/46/554275246.db2.gz VIPDNRYOSSRINE-QABMSTFYSA-N 0 0 632.649 3.290 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277359 554275276 /nfs/dbraw/zinc/27/52/76/554275276.db2.gz VIPDNRYOSSRINE-HLADLETHSA-N 0 0 632.649 3.290 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277360 554275285 /nfs/dbraw/zinc/27/52/85/554275285.db2.gz VIPDNRYOSSRINE-AYWVHJORSA-N 0 0 632.649 3.290 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277390 554275250 /nfs/dbraw/zinc/27/52/50/554275250.db2.gz VJEPDFDKJOFHCL-CUNXSJBXSA-N 0 0 578.601 3.155 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277394 554275252 /nfs/dbraw/zinc/27/52/52/554275252.db2.gz VJEPDFDKJOFHCL-WXVAWEFUSA-N 0 0 578.601 3.155 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277395 554275265 /nfs/dbraw/zinc/27/52/65/554275265.db2.gz VJEPDFDKJOFHCL-AMGIVPHBSA-N 0 0 578.601 3.155 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277398 554275283 /nfs/dbraw/zinc/27/52/83/554275283.db2.gz VJEPDFDKJOFHCL-AJTFRIOCSA-N 0 0 578.601 3.155 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277416 554275244 /nfs/dbraw/zinc/27/52/44/554275244.db2.gz CVSKXJUIHKLTOC-NGQVCNFZSA-N 0 0 632.649 3.337 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277419 554275245 /nfs/dbraw/zinc/27/52/45/554275245.db2.gz CVSKXJUIHKLTOC-QABMSTFYSA-N 0 0 632.649 3.337 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277420 554275256 /nfs/dbraw/zinc/27/52/56/554275256.db2.gz CVSKXJUIHKLTOC-HLADLETHSA-N 0 0 632.649 3.337 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277422 554275251 /nfs/dbraw/zinc/27/52/51/554275251.db2.gz CVSKXJUIHKLTOC-AYWVHJORSA-N 0 0 632.649 3.337 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)cc1OC ZINC000100277491 554275473 /nfs/dbraw/zinc/27/54/73/554275473.db2.gz PLTHXBQLVQCIJN-DFBJGRDBSA-N 0 0 566.640 3.077 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)cc1OC ZINC000100277494 554275493 /nfs/dbraw/zinc/27/54/93/554275493.db2.gz PLTHXBQLVQCIJN-UQBPGWFLSA-N 0 0 566.640 3.077 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)cc1OC ZINC000100277495 554275516 /nfs/dbraw/zinc/27/55/16/554275516.db2.gz PLTHXBQLVQCIJN-CLOONOSVSA-N 0 0 566.640 3.077 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)cc1OC ZINC000100277497 554275511 /nfs/dbraw/zinc/27/55/11/554275511.db2.gz PLTHXBQLVQCIJN-KBMIEXCESA-N 0 0 566.640 3.077 40 0 KGABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)cc1 ZINC000100277579 554275561 /nfs/dbraw/zinc/27/55/61/554275561.db2.gz XFKYPMLQDIBFBK-OUTSHDOLSA-N 0 0 604.664 3.333 40 0 KGABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)cc1 ZINC000100277583 554275557 /nfs/dbraw/zinc/27/55/57/554275557.db2.gz XFKYPMLQDIBFBK-PWUYWRBVSA-N 0 0 604.664 3.333 40 0 KGABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)cc1 ZINC000100277587 554275508 /nfs/dbraw/zinc/27/55/08/554275508.db2.gz XFKYPMLQDIBFBK-GIGWZHCTSA-N 0 0 604.664 3.333 40 0 KGABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)cc1 ZINC000100277591 554275535 /nfs/dbraw/zinc/27/55/35/554275535.db2.gz XFKYPMLQDIBFBK-FUFSCUOVSA-N 0 0 604.664 3.333 40 0 KGABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)cc1 ZINC000100277595 554275802 /nfs/dbraw/zinc/27/58/02/554275802.db2.gz KYDBVDSPLYJLFF-NVQXNPDNSA-N 0 0 548.600 3.217 40 0 KGABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)cc1 ZINC000100277599 554275834 /nfs/dbraw/zinc/27/58/34/554275834.db2.gz KYDBVDSPLYJLFF-BKMJKUGQSA-N 0 0 548.600 3.217 40 0 KGABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)cc1 ZINC000100277605 554275763 /nfs/dbraw/zinc/27/57/63/554275763.db2.gz KYDBVDSPLYJLFF-GJZUVCINSA-N 0 0 548.600 3.217 40 0 KGABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)cc1 ZINC000100277610 554275799 /nfs/dbraw/zinc/27/57/99/554275799.db2.gz KYDBVDSPLYJLFF-ATIYNZHBSA-N 0 0 548.600 3.217 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(CCc3ccc(OC)c(OC)c3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1 ZINC000100277616 554275833 /nfs/dbraw/zinc/27/58/33/554275833.db2.gz UGPUIXXCZNNSEC-QCDSWUKFSA-N 0 0 618.691 3.375 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(CCc3ccc(OC)c(OC)c3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1 ZINC000100277620 554275818 /nfs/dbraw/zinc/27/58/18/554275818.db2.gz UGPUIXXCZNNSEC-SETSBSEESA-N 0 0 618.691 3.375 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(CCc3ccc(OC)c(OC)c3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1 ZINC000100277625 554275823 /nfs/dbraw/zinc/27/58/23/554275823.db2.gz UGPUIXXCZNNSEC-RNAHPLFWSA-N 0 0 618.691 3.375 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(CCc3ccc(OC)c(OC)c3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1 ZINC000100277630 554275781 /nfs/dbraw/zinc/27/57/81/554275781.db2.gz UGPUIXXCZNNSEC-FYBSXPHGSA-N 0 0 618.691 3.375 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277634 554275778 /nfs/dbraw/zinc/27/57/78/554275778.db2.gz VQEJJKVIJXMOPD-ZTOMLWHTSA-N 0 0 618.647 3.053 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277636 554275829 /nfs/dbraw/zinc/27/58/29/554275829.db2.gz VQEJJKVIJXMOPD-PZGXJGMVSA-N 0 0 618.647 3.053 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277640 554275822 /nfs/dbraw/zinc/27/58/22/554275822.db2.gz VQEJJKVIJXMOPD-MNNSJKJDSA-N 0 0 618.647 3.053 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277645 554275836 /nfs/dbraw/zinc/27/58/36/554275836.db2.gz VQEJJKVIJXMOPD-KPURRNSFSA-N 0 0 618.647 3.053 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1 ZINC000100277649 554275795 /nfs/dbraw/zinc/27/57/95/554275795.db2.gz DKZFIUXQXMVWRR-OFVILXPXSA-N 0 0 550.641 3.377 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1 ZINC000100277653 554275830 /nfs/dbraw/zinc/27/58/30/554275830.db2.gz DKZFIUXQXMVWRR-SQJMNOBHSA-N 0 0 550.641 3.377 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1 ZINC000100277659 554275831 /nfs/dbraw/zinc/27/58/31/554275831.db2.gz DKZFIUXQXMVWRR-BWKNWUBXSA-N 0 0 550.641 3.377 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1 ZINC000100277662 554275821 /nfs/dbraw/zinc/27/58/21/554275821.db2.gz DKZFIUXQXMVWRR-PXDATVDWSA-N 0 0 550.641 3.377 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277666 554275827 /nfs/dbraw/zinc/27/58/27/554275827.db2.gz UGJPGKUQJZEJMG-FNZWTVRRSA-N 0 0 580.667 3.386 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277671 554275767 /nfs/dbraw/zinc/27/57/67/554275767.db2.gz UGJPGKUQJZEJMG-RXFWQSSRSA-N 0 0 580.667 3.386 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277675 554275825 /nfs/dbraw/zinc/27/58/25/554275825.db2.gz UGJPGKUQJZEJMG-IBVKSMDESA-N 0 0 580.667 3.386 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277678 554275824 /nfs/dbraw/zinc/27/58/24/554275824.db2.gz UGJPGKUQJZEJMG-FQRUVTKNSA-N 0 0 580.667 3.386 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277710 554275819 /nfs/dbraw/zinc/27/58/19/554275819.db2.gz DCRCRZKELJHXIB-ZTOMLWHTSA-N 0 0 618.647 3.100 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277716 554275813 /nfs/dbraw/zinc/27/58/13/554275813.db2.gz DCRCRZKELJHXIB-PZGXJGMVSA-N 0 0 618.647 3.100 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277718 554275807 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COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC[C@H]3CCCO3)c3cccs3)n2)cc1OC ZINC000100277813 554276113 /nfs/dbraw/zinc/27/61/13/554276113.db2.gz KWSMRRZJSBZARQ-LYZGTLIUSA-N 0 0 620.688 3.213 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)o1 ZINC000100277827 554276104 /nfs/dbraw/zinc/27/61/04/554276104.db2.gz UYIOCRJJJWTXHP-JTSKRJEESA-N 0 0 526.644 3.430 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)o1 ZINC000100277829 554276036 /nfs/dbraw/zinc/27/60/36/554276036.db2.gz UYIOCRJJJWTXHP-HTAPYJJXSA-N 0 0 526.644 3.430 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC[C@H]3CCCO3)c3cccs3)n2)o1 ZINC000100277833 554276074 /nfs/dbraw/zinc/27/60/74/554276074.db2.gz UYIOCRJJJWTXHP-VGSWGCGISA-N 0 0 526.644 3.430 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC[C@H]3CCCO3)c3cccs3)n2)o1 ZINC000100277837 554276479 /nfs/dbraw/zinc/27/64/79/554276479.db2.gz UYIOCRJJJWTXHP-VGOFRKELSA-N 0 0 526.644 3.430 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)cc1OC ZINC000100277842 554276349 /nfs/dbraw/zinc/27/63/49/554276349.db2.gz DUESVVRMQGYAOP-DFBJGRDBSA-N 0 0 566.640 3.077 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)cc1OC ZINC000100277844 554276474 /nfs/dbraw/zinc/27/64/74/554276474.db2.gz DUESVVRMQGYAOP-UQBPGWFLSA-N 0 0 566.640 3.077 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@H]3CCCO3)c3cccs3)n2)cc1OC ZINC000100277845 554276424 /nfs/dbraw/zinc/27/64/24/554276424.db2.gz DUESVVRMQGYAOP-CLOONOSVSA-N 0 0 566.640 3.077 40 0 KGABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@H]3CCCO3)c3cccs3)n2)cc1OC ZINC000100277849 554276466 /nfs/dbraw/zinc/27/64/66/554276466.db2.gz DUESVVRMQGYAOP-KBMIEXCESA-N 0 0 566.640 3.077 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Cl)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000100281041 554276665 /nfs/dbraw/zinc/27/66/65/554276665.db2.gz OGKMNEKSWDOLMM-YOKWNPFVSA-N 0 0 529.014 3.478 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Cl)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000100281044 554276708 /nfs/dbraw/zinc/27/67/08/554276708.db2.gz OGKMNEKSWDOLMM-NWKGEQBZSA-N 0 0 529.014 3.478 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(C)o2)c(OC)c1 ZINC000100284001 554277291 /nfs/dbraw/zinc/27/72/91/554277291.db2.gz GHPOAADNENJRHF-QHCPKHFHSA-N 0 0 549.609 3.447 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(C)o2)c(OC)c1 ZINC000100284006 554277242 /nfs/dbraw/zinc/27/72/42/554277242.db2.gz GHPOAADNENJRHF-HSZRJFAPSA-N 0 0 549.609 3.447 40 0 KGABRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)o1 ZINC000100284011 554277278 /nfs/dbraw/zinc/27/72/78/554277278.db2.gz MTMZTKRJPOPCOP-QFIPXVFZSA-N 0 0 533.566 3.159 40 0 KGABRN Cc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)o1 ZINC000100284014 554277274 /nfs/dbraw/zinc/27/72/74/554277274.db2.gz MTMZTKRJPOPCOP-JOCHJYFZSA-N 0 0 533.566 3.159 40 0 KGABRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)o1 ZINC000100284016 554277252 /nfs/dbraw/zinc/27/72/52/554277252.db2.gz UETXKJAMMRDWIU-QHCPKHFHSA-N 0 0 547.593 3.201 40 0 KGABRN Cc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)o1 ZINC000100284018 554277182 /nfs/dbraw/zinc/27/71/82/554277182.db2.gz UETXKJAMMRDWIU-HSZRJFAPSA-N 0 0 547.593 3.201 40 0 KGABRN COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(C)o2)cc1OC ZINC000100284028 554277637 /nfs/dbraw/zinc/27/76/37/554277637.db2.gz CMEXJANZTRYTSP-VWLOTQADSA-N 0 0 577.663 3.485 40 0 KGABRN COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(C)o2)cc1OC ZINC000100284030 554277632 /nfs/dbraw/zinc/27/76/32/554277632.db2.gz CMEXJANZTRYTSP-RUZDIDTESA-N 0 0 577.663 3.485 40 0 KGABRN COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(C)o2)cc1 ZINC000100284039 554277577 /nfs/dbraw/zinc/27/75/77/554277577.db2.gz UPZQCWOWBMURMT-QHCPKHFHSA-N 0 0 533.610 3.434 40 0 KGABRN COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(C)o2)cc1 ZINC000100284043 554277618 /nfs/dbraw/zinc/27/76/18/554277618.db2.gz UPZQCWOWBMURMT-HSZRJFAPSA-N 0 0 533.610 3.434 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1OC ZINC000100284470 554278209 /nfs/dbraw/zinc/27/82/09/554278209.db2.gz IHBHDXTVQKMLKN-QFIPXVFZSA-N 0 0 541.605 3.427 40 0 KGABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1OC ZINC000100284473 554278172 /nfs/dbraw/zinc/27/81/72/554278172.db2.gz IHBHDXTVQKMLKN-JOCHJYFZSA-N 0 0 541.605 3.427 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1N ZINC000100284475 554278197 /nfs/dbraw/zinc/27/81/97/554278197.db2.gz MYUNZWMNKSITDA-NRFANRHFSA-N 0 0 525.562 3.139 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1N ZINC000100284476 554278187 /nfs/dbraw/zinc/27/81/87/554278187.db2.gz MYUNZWMNKSITDA-OAQYLSRUSA-N 0 0 525.562 3.139 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCCO3)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1N ZINC000100284479 554278195 /nfs/dbraw/zinc/27/81/95/554278195.db2.gz GODPQOQLCMXGEA-QFIPXVFZSA-N 0 0 539.589 3.181 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCCO3)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1N ZINC000100284484 554278182 /nfs/dbraw/zinc/27/81/82/554278182.db2.gz GODPQOQLCMXGEA-JOCHJYFZSA-N 0 0 539.589 3.181 40 0 KGABRN COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1OC ZINC000100284493 554278184 /nfs/dbraw/zinc/27/81/84/554278184.db2.gz HAIHUNQCADRCQC-DEOSSOPVSA-N 0 0 569.659 3.466 40 0 KGABRN COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1OC ZINC000100284496 554278196 /nfs/dbraw/zinc/27/81/96/554278196.db2.gz HAIHUNQCADRCQC-XMMPIXPASA-N 0 0 569.659 3.466 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1N ZINC000100284593 554278451 /nfs/dbraw/zinc/27/84/51/554278451.db2.gz SYILYDCRJOOCGY-HSZRJFAPSA-N 0 0 547.568 3.397 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1N ZINC000100284596 554278482 /nfs/dbraw/zinc/27/84/82/554278482.db2.gz SYILYDCRJOOCGY-QHCPKHFHSA-N 0 0 547.568 3.397 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCCO3)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1N ZINC000100284599 554278506 /nfs/dbraw/zinc/27/85/06/554278506.db2.gz AHYGFFGAAHAFAP-XMMPIXPASA-N 0 0 561.595 3.439 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCCO3)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1N ZINC000100284602 554278489 /nfs/dbraw/zinc/27/84/89/554278489.db2.gz AHYGFFGAAHAFAP-DEOSSOPVSA-N 0 0 561.595 3.439 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1N ZINC000100284645 554278517 /nfs/dbraw/zinc/27/85/17/554278517.db2.gz NCTNRMZENJEEBH-XMMPIXPASA-N 0 0 561.595 3.392 40 0 KGABRN NC(=O)c1nsc(C(=O)N(Cc2ccc3c(c2)OCO3)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1N ZINC000100284652 554278849 /nfs/dbraw/zinc/27/88/49/554278849.db2.gz NCTNRMZENJEEBH-DEOSSOPVSA-N 0 0 561.595 3.392 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1N ZINC000100284776 554278830 /nfs/dbraw/zinc/27/88/30/554278830.db2.gz BSLKUVLZLKGVIG-CYFREDJKSA-N 0 0 545.621 3.366 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1N ZINC000100284778 554278810 /nfs/dbraw/zinc/27/88/10/554278810.db2.gz BSLKUVLZLKGVIG-YADARESESA-N 0 0 545.621 3.366 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1N ZINC000100284782 554278807 /nfs/dbraw/zinc/27/88/07/554278807.db2.gz BSLKUVLZLKGVIG-DVECYGJZSA-N 0 0 545.621 3.366 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1N ZINC000100284786 554278844 /nfs/dbraw/zinc/27/88/44/554278844.db2.gz BSLKUVLZLKGVIG-NTKDMRAZSA-N 0 0 545.621 3.366 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1N ZINC000100284833 554278800 /nfs/dbraw/zinc/27/88/00/554278800.db2.gz PMLUYHMACCMQEV-PXNSSMCTSA-N 0 0 563.558 3.232 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1N ZINC000100284837 554278840 /nfs/dbraw/zinc/27/88/40/554278840.db2.gz PMLUYHMACCMQEV-FXAWDEMLSA-N 0 0 563.558 3.232 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1N ZINC000100284839 554278828 /nfs/dbraw/zinc/27/88/28/554278828.db2.gz PMLUYHMACCMQEV-XLIONFOSSA-N 0 0 563.558 3.232 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1N ZINC000100284842 554278846 /nfs/dbraw/zinc/27/88/46/554278846.db2.gz PMLUYHMACCMQEV-YLJYHZDGSA-N 0 0 563.558 3.232 40 0 KGABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)cc1Cl ZINC000100284848 554278847 /nfs/dbraw/zinc/27/88/47/554278847.db2.gz NTTOXKKZHJAVCV-UWJYYQICSA-N 0 0 544.033 3.175 40 0 KGABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)cc1Cl ZINC000100284853 554278825 /nfs/dbraw/zinc/27/88/25/554278825.db2.gz NTTOXKKZHJAVCV-LAUBAEHRSA-N 0 0 544.033 3.175 40 0 KGABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)cc1Cl ZINC000100284857 554278816 /nfs/dbraw/zinc/27/88/16/554278816.db2.gz NTTOXKKZHJAVCV-UTKZUKDTSA-N 0 0 544.033 3.175 40 0 KGABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)cc1Cl ZINC000100284860 554278835 /nfs/dbraw/zinc/27/88/35/554278835.db2.gz NTTOXKKZHJAVCV-DYESRHJHSA-N 0 0 544.033 3.175 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCCO3)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N ZINC000100285010 554279180 /nfs/dbraw/zinc/27/91/80/554279180.db2.gz FIUYCXBOZLYSJX-XMMPIXPASA-N 0 0 559.604 3.006 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCCO3)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N ZINC000100285013 554279135 /nfs/dbraw/zinc/27/91/35/554279135.db2.gz FIUYCXBOZLYSJX-DEOSSOPVSA-N 0 0 559.604 3.006 40 0 KGABRN COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)cc1OC ZINC000100285028 554279107 /nfs/dbraw/zinc/27/91/07/554279107.db2.gz AQYYVNULJWFWJO-SANMLTNESA-N 0 0 589.674 3.290 40 0 KGABRN COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)cc1OC ZINC000100285034 554279201 /nfs/dbraw/zinc/27/92/01/554279201.db2.gz AQYYVNULJWFWJO-AREMUKBSSA-N 0 0 589.674 3.290 40 0 KGABRN O=C(Cn1nnc2ccccc21)N(c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000100285752 554279638 /nfs/dbraw/zinc/27/96/38/554279638.db2.gz RRWJJSPKZNVVAX-LJAQVGFWSA-N 0 0 606.705 3.269 40 0 KGABRN O=C(Cn1nnc2ccccc21)N(c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000100285753 554279665 /nfs/dbraw/zinc/27/96/65/554279665.db2.gz RRWJJSPKZNVVAX-GDLZYMKVSA-N 0 0 606.705 3.269 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCCC3)c3ccc(C)cc3)n2)cc1 ZINC000100289632 554282411 /nfs/dbraw/zinc/28/24/11/554282411.db2.gz KDBHIDYZKRNIIG-LJAQVGFWSA-N 0 0 559.715 3.308 40 0 KGABRN Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCCC3)c3ccc(C)cc3)n2)cc1 ZINC000100289636 554282365 /nfs/dbraw/zinc/28/23/65/554282365.db2.gz KDBHIDYZKRNIIG-GDLZYMKVSA-N 0 0 559.715 3.308 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(Cl)cc2)c1N ZINC000100290726 554283930 /nfs/dbraw/zinc/28/39/30/554283930.db2.gz KTCIVLIJFLRVDB-PXNSSMCTSA-N 0 0 531.997 3.300 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(Cl)cc2)c1N ZINC000100290730 554283857 /nfs/dbraw/zinc/28/38/57/554283857.db2.gz KTCIVLIJFLRVDB-FXAWDEMLSA-N 0 0 531.997 3.300 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(Cl)cc2)c1N ZINC000100290735 554283921 /nfs/dbraw/zinc/28/39/21/554283921.db2.gz KTCIVLIJFLRVDB-XLIONFOSSA-N 0 0 531.997 3.300 40 0 KGABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(Cl)cc2)c1N ZINC000100290739 554283878 /nfs/dbraw/zinc/28/38/78/554283878.db2.gz KTCIVLIJFLRVDB-YLJYHZDGSA-N 0 0 531.997 3.300 40 0 KGABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000100292763 554284901 /nfs/dbraw/zinc/28/49/01/554284901.db2.gz MPNJRRHOKXZWDE-LJAQVGFWSA-N 0 0 606.705 3.319 40 0 KGABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000100292766 554284837 /nfs/dbraw/zinc/28/48/37/554284837.db2.gz MPNJRRHOKXZWDE-GDLZYMKVSA-N 0 0 606.705 3.319 40 0 KGABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(S(N)(=O)=O)cc2)cc1O ZINC000100292974 554284857 /nfs/dbraw/zinc/28/48/57/554284857.db2.gz YUVBPBPPEHDNMG-NDEPHWFRSA-N 0 0 592.678 3.016 40 0 KGABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(S(N)(=O)=O)cc2)cc1O ZINC000100292976 554285180 /nfs/dbraw/zinc/28/51/80/554285180.db2.gz YUVBPBPPEHDNMG-MUUNZHRXSA-N 0 0 592.678 3.016 40 0 KGABRN COC(=O)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(CCc2ccc(OC)c(OC)c2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100293215 554285111 /nfs/dbraw/zinc/28/51/11/554285111.db2.gz SXZWDHFUERATRB-FKAPRUDGSA-N 0 0 615.687 3.343 40 0 KGABRN COC(=O)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(CCc2ccc(OC)c(OC)c2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100293216 554285158 /nfs/dbraw/zinc/28/51/58/554285158.db2.gz SXZWDHFUERATRB-VVFBEHOQSA-N 0 0 615.687 3.343 40 0 KGABRN COC(=O)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(CCc2ccc(OC)c(OC)c2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100293220 554285125 /nfs/dbraw/zinc/28/51/25/554285125.db2.gz SXZWDHFUERATRB-NJHZRGNWSA-N 0 0 615.687 3.343 40 0 KGABRN COC(=O)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(CCc2ccc(OC)c(OC)c2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100293222 554285069 /nfs/dbraw/zinc/28/50/69/554285069.db2.gz SXZWDHFUERATRB-OOWIMERYSA-N 0 0 615.687 3.343 40 0 KGABRN O=C(CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1C(F)(F)F)NC1CCCC1 ZINC000100293936 554285977 /nfs/dbraw/zinc/28/59/77/554285977.db2.gz XCSMYVIMRVERJD-KXQOOQHDSA-N 0 0 553.559 3.213 40 0 KGABRN O=C(CN(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1C(F)(F)F)NC1CCCC1 ZINC000100293939 554285944 /nfs/dbraw/zinc/28/59/44/554285944.db2.gz XCSMYVIMRVERJD-LHEWISCISA-N 0 0 553.559 3.213 40 0 KGABRN O=C(CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1)NC1CCCC1 ZINC000100293944 554285966 /nfs/dbraw/zinc/28/59/66/554285966.db2.gz VXXFGKGKTCHIIQ-KXQOOQHDSA-N 0 0 553.559 3.213 40 0 KGABRN O=C(CN(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1)NC1CCCC1 ZINC000100293949 554285999 /nfs/dbraw/zinc/28/59/99/554285999.db2.gz VXXFGKGKTCHIIQ-LHEWISCISA-N 0 0 553.559 3.213 40 0 KGABRN C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000100294135 554286162 /nfs/dbraw/zinc/28/61/62/554286162.db2.gz MAVPGTYEAJGLRC-IZNSARCZSA-N 0 0 534.034 3.236 40 0 KGABRN C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000100294138 554286168 /nfs/dbraw/zinc/28/61/68/554286168.db2.gz MAVPGTYEAJGLRC-CUPYOXQXSA-N 0 0 534.034 3.236 40 0 KGABRN C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000100294140 554286204 /nfs/dbraw/zinc/28/62/04/554286204.db2.gz MAVPGTYEAJGLRC-FGAOGKJBSA-N 0 0 534.034 3.236 40 0 KGABRN C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000100294144 554286207 /nfs/dbraw/zinc/28/62/07/554286207.db2.gz MAVPGTYEAJGLRC-RJDSNXINSA-N 0 0 534.034 3.236 40 0 KGABRN C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)c(Cl)c1 ZINC000100294153 554286160 /nfs/dbraw/zinc/28/61/60/554286160.db2.gz QZRBPTVZSVRKAP-AOSSJETFSA-N 0 0 552.024 3.376 40 0 KGABRN C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)c(Cl)c1 ZINC000100294156 554286231 /nfs/dbraw/zinc/28/62/31/554286231.db2.gz QZRBPTVZSVRKAP-GMPSJDKKSA-N 0 0 552.024 3.376 40 0 KGABRN C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)c(Cl)c1 ZINC000100294157 554286210 /nfs/dbraw/zinc/28/62/10/554286210.db2.gz QZRBPTVZSVRKAP-NMLLAVDLSA-N 0 0 552.024 3.376 40 0 KGABRN C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)c(Cl)c1 ZINC000100294160 554286216 /nfs/dbraw/zinc/28/62/16/554286216.db2.gz QZRBPTVZSVRKAP-WYENRQIDSA-N 0 0 552.024 3.376 40 0 KGABRN O=C(CN(Cc1ccccc1Cl)C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000100294414 554286822 /nfs/dbraw/zinc/28/68/22/554286822.db2.gz BGYQNIVMTPOSDJ-DIPNUNPCSA-N 0 0 548.061 3.234 40 0 KGABRN O=C(CN(Cc1ccccc1Cl)C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000100294418 554286753 /nfs/dbraw/zinc/28/67/53/554286753.db2.gz BGYQNIVMTPOSDJ-QNGWXLTQSA-N 0 0 548.061 3.234 40 0 KGABRN O=C(CN(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)c(Cl)c1)NC1CCCCC1 ZINC000100294502 554286831 /nfs/dbraw/zinc/28/68/31/554286831.db2.gz LVYVCOKCTIZJOK-QNGWXLTQSA-N 0 0 552.024 3.377 40 0 KGABRN O=C(CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)c(Cl)c1)NC1CCCCC1 ZINC000100294506 554286750 /nfs/dbraw/zinc/28/67/50/554286750.db2.gz LVYVCOKCTIZJOK-DIPNUNPCSA-N 0 0 552.024 3.377 40 0 KGABRN C[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F ZINC000100294710 554287466 /nfs/dbraw/zinc/28/74/66/554287466.db2.gz KPOGINVNTWVCRZ-OUQHYPROSA-N 0 0 531.606 3.112 40 0 KGABRN C[C@H](C(=O)NC1CCCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F ZINC000100294715 554287335 /nfs/dbraw/zinc/28/73/35/554287335.db2.gz KPOGINVNTWVCRZ-SAUQAEGZSA-N 0 0 531.606 3.112 40 0 KGABRN C[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F ZINC000100294720 554287435 /nfs/dbraw/zinc/28/74/35/554287435.db2.gz KPOGINVNTWVCRZ-ZUDGJFPWSA-N 0 0 531.606 3.112 40 0 KGABRN C[C@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F ZINC000100294724 554287428 /nfs/dbraw/zinc/28/74/28/554287428.db2.gz KPOGINVNTWVCRZ-GSAPITJQSA-N 0 0 531.606 3.112 40 0 KGABRN C[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1 ZINC000100294734 554287377 /nfs/dbraw/zinc/28/73/77/554287377.db2.gz CIINUPZUWPZBMI-OUQHYPROSA-N 0 0 531.606 3.112 40 0 KGABRN C[C@H](C(=O)NC1CCCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1 ZINC000100294738 554287317 /nfs/dbraw/zinc/28/73/17/554287317.db2.gz CIINUPZUWPZBMI-SAUQAEGZSA-N 0 0 531.606 3.112 40 0 KGABRN C[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1 ZINC000100294743 554287421 /nfs/dbraw/zinc/28/74/21/554287421.db2.gz CIINUPZUWPZBMI-ZUDGJFPWSA-N 0 0 531.606 3.112 40 0 KGABRN C[C@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1 ZINC000100294749 554287445 /nfs/dbraw/zinc/28/74/45/554287445.db2.gz CIINUPZUWPZBMI-GSAPITJQSA-N 0 0 531.606 3.112 40 0 KGABRN C[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000100294762 554287458 /nfs/dbraw/zinc/28/74/58/554287458.db2.gz YICHCFGVTKLYSE-OUQHYPROSA-N 0 0 531.606 3.112 40 0 KGABRN C[C@H](C(=O)NC1CCCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000100294766 554287350 /nfs/dbraw/zinc/28/73/50/554287350.db2.gz YICHCFGVTKLYSE-SAUQAEGZSA-N 0 0 531.606 3.112 40 0 KGABRN C[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000100294770 554287323 /nfs/dbraw/zinc/28/73/23/554287323.db2.gz YICHCFGVTKLYSE-ZUDGJFPWSA-N 0 0 531.606 3.112 40 0 KGABRN C[C@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000100294774 554287375 /nfs/dbraw/zinc/28/73/75/554287375.db2.gz YICHCFGVTKLYSE-GSAPITJQSA-N 0 0 531.606 3.112 40 0 KGABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000100298154 554289373 /nfs/dbraw/zinc/28/93/73/554289373.db2.gz LCFTXSGTTZXZQF-MZANGIHLSA-N 0 0 580.659 3.148 40 0 KGABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000100298159 554289405 /nfs/dbraw/zinc/28/94/05/554289405.db2.gz LCFTXSGTTZXZQF-QFDNUGPTSA-N 0 0 580.659 3.148 40 0 KGABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000100303873 554292488 /nfs/dbraw/zinc/29/24/88/554292488.db2.gz AYXZZSKDDFAGGJ-AZUOUTSGSA-N 0 0 585.638 3.094 40 0 KGABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000100303876 554292550 /nfs/dbraw/zinc/29/25/50/554292550.db2.gz AYXZZSKDDFAGGJ-HONNWAMPSA-N 0 0 585.638 3.094 40 0 KGABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000100303947 554292475 /nfs/dbraw/zinc/29/24/75/554292475.db2.gz NSGWRPMFWBPJDR-RNECYNAXSA-N 0 0 556.596 3.379 40 0 KGABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000100303951 554292491 /nfs/dbraw/zinc/29/24/91/554292491.db2.gz NSGWRPMFWBPJDR-ASZHOJRSSA-N 0 0 556.596 3.379 40 0 KGABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000100304477 554292781 /nfs/dbraw/zinc/29/27/81/554292781.db2.gz PLHZSRCUEFQWMX-RNECYNAXSA-N 0 0 556.596 3.379 40 0 KGABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000100304480 554292786 /nfs/dbraw/zinc/29/27/86/554292786.db2.gz PLHZSRCUEFQWMX-ASZHOJRSSA-N 0 0 556.596 3.379 40 0 KGABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000100305718 554293916 /nfs/dbraw/zinc/29/39/16/554293916.db2.gz QJYBLMXVHDXOOP-MTIYOZEWSA-N 0 0 543.601 3.323 40 0 KGABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000100305720 554293900 /nfs/dbraw/zinc/29/39/00/554293900.db2.gz QJYBLMXVHDXOOP-MEVAHUFZSA-N 0 0 543.601 3.323 40 0 KGABRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C\c3ccc(N4CCN(C)CC4)o3)sc2=N1 ZINC000100306116 554294365 /nfs/dbraw/zinc/29/43/65/554294365.db2.gz GTZRNRGODSMGES-MSMNXAATSA-N 0 0 545.690 3.280 40 0 KGABRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C\c3ccc(N4CCN(C)CC4)o3)sc2=N1 ZINC000100306123 554294381 /nfs/dbraw/zinc/29/43/81/554294381.db2.gz GTZRNRGODSMGES-CUPKDKKMSA-N 0 0 545.690 3.280 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)c(OC)c4)c(=O)n32)cc1OCC ZINC000100306402 554294912 /nfs/dbraw/zinc/29/49/12/554294912.db2.gz CJHPWHVTLJHFJY-ZSJKCPIUSA-N 0 0 566.632 3.140 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)c(OC)c4)c(=O)n32)cc1OCC ZINC000100306407 554294894 /nfs/dbraw/zinc/29/48/94/554294894.db2.gz CJHPWHVTLJHFJY-QARYAGPDSA-N 0 0 566.632 3.140 40 0 KGABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000100306431 554294834 /nfs/dbraw/zinc/29/48/34/554294834.db2.gz CNNNCIGHRRNOFT-ZKZBLMLZSA-N 0 0 526.570 3.370 40 0 KGABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000100306437 554294872 /nfs/dbraw/zinc/29/48/72/554294872.db2.gz CNNNCIGHRRNOFT-QTQKINJDSA-N 0 0 526.570 3.370 40 0 KGABRN Cc1nn(C)cc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000100307487 554295736 /nfs/dbraw/zinc/29/57/36/554295736.db2.gz YRMFMASSYYDIHL-PMERELPUSA-N 0 0 618.764 3.481 40 0 KGABRN Cc1nn(C)cc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000100307492 554295756 /nfs/dbraw/zinc/29/57/56/554295756.db2.gz YRMFMASSYYDIHL-SSEXGKCCSA-N 0 0 618.764 3.481 40 0 KGABRN Cc1nn(C)cc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000100307509 554296187 /nfs/dbraw/zinc/29/61/87/554296187.db2.gz AGPDDTWMXVGETA-NDEPHWFRSA-N 0 0 543.628 3.468 40 0 KGABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000100308057 554296335 /nfs/dbraw/zinc/29/63/35/554296335.db2.gz WRVKQMKLHZFGRH-GWXSLXSZSA-N 0 0 568.607 3.436 40 0 KGABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000100308063 554296397 /nfs/dbraw/zinc/29/63/97/554296397.db2.gz WRVKQMKLHZFGRH-FOOGSPQISA-N 0 0 568.607 3.436 40 0 KGABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100309054 554298228 /nfs/dbraw/zinc/29/82/28/554298228.db2.gz JUOPCYANAVWCPS-QFIPXVFZSA-N 0 0 541.630 3.267 40 0 KGABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100309058 554298221 /nfs/dbraw/zinc/29/82/21/554298221.db2.gz JUOPCYANAVWCPS-JOCHJYFZSA-N 0 0 541.630 3.267 40 0 KGABRN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)cc1OC ZINC000100309263 554298452 /nfs/dbraw/zinc/29/84/52/554298452.db2.gz ZUUFOBMXIAPXCV-VWLOTQADSA-N 0 0 589.630 3.275 40 0 KGABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)cc1OC ZINC000100309268 554298508 /nfs/dbraw/zinc/29/85/08/554298508.db2.gz ZUUFOBMXIAPXCV-RUZDIDTESA-N 0 0 589.630 3.275 40 0 KGABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)c1 ZINC000100309462 554298800 /nfs/dbraw/zinc/29/88/00/554298800.db2.gz MGCSIOZHBMTTCK-QHCPKHFHSA-N 0 0 553.641 3.297 40 0 KGABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)c1 ZINC000100309467 554298760 /nfs/dbraw/zinc/29/87/60/554298760.db2.gz MGCSIOZHBMTTCK-HSZRJFAPSA-N 0 0 553.641 3.297 40 0 KGABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)cc1OC ZINC000100309478 554298837 /nfs/dbraw/zinc/29/88/37/554298837.db2.gz MJVNZMQHAKXOSG-QHCPKHFHSA-N 0 0 567.624 3.017 40 0 KGABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)cc1OC ZINC000100309481 554298748 /nfs/dbraw/zinc/29/87/48/554298748.db2.gz MJVNZMQHAKXOSG-HSZRJFAPSA-N 0 0 567.624 3.017 40 0 KGABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1OC ZINC000100309485 554298788 /nfs/dbraw/zinc/29/87/88/554298788.db2.gz MVOJZSXWSUNDKX-QFIPXVFZSA-N 0 0 541.605 3.427 40 0 KGABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1OC ZINC000100309490 554298768 /nfs/dbraw/zinc/29/87/68/554298768.db2.gz MVOJZSXWSUNDKX-JOCHJYFZSA-N 0 0 541.605 3.427 40 0 KGABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100309500 554298776 /nfs/dbraw/zinc/29/87/76/554298776.db2.gz NSTOVZVKILNQEN-NRFANRHFSA-N 0 0 543.671 3.345 40 0 KGABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100309504 554298785 /nfs/dbraw/zinc/29/87/85/554298785.db2.gz NSTOVZVKILNQEN-OAQYLSRUSA-N 0 0 543.671 3.345 40 0 KGABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100309512 554298771 /nfs/dbraw/zinc/29/87/71/554298771.db2.gz DXQZSKLHLDZFJE-QHCPKHFHSA-N 0 0 555.632 3.423 40 0 KGABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100309515 554298820 /nfs/dbraw/zinc/29/88/20/554298820.db2.gz DXQZSKLHLDZFJE-HSZRJFAPSA-N 0 0 555.632 3.423 40 0 KGABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100309521 554298742 /nfs/dbraw/zinc/29/87/42/554298742.db2.gz DZMRZXTZTZABLT-DEOSSOPVSA-N 0 0 581.651 3.013 40 0 KGABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100309523 554298762 /nfs/dbraw/zinc/29/87/62/554298762.db2.gz DZMRZXTZTZABLT-XMMPIXPASA-N 0 0 581.651 3.013 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2C)cc1OC ZINC000100309715 554299041 /nfs/dbraw/zinc/29/90/41/554299041.db2.gz OOWIDZLJTOUQRV-UUOWRZLLSA-N 0 0 567.668 3.142 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2C)cc1OC ZINC000100309719 554298969 /nfs/dbraw/zinc/29/89/69/554298969.db2.gz OOWIDZLJTOUQRV-MHECFPHRSA-N 0 0 567.668 3.142 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2C)cc1OC ZINC000100309723 554298915 /nfs/dbraw/zinc/29/89/15/554298915.db2.gz OOWIDZLJTOUQRV-KOSHJBKYSA-N 0 0 567.668 3.142 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2C)cc1OC ZINC000100309726 554299021 /nfs/dbraw/zinc/29/90/21/554299021.db2.gz OOWIDZLJTOUQRV-HOYKHHGWSA-N 0 0 567.668 3.142 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)cc1OC ZINC000100309729 554298949 /nfs/dbraw/zinc/29/89/49/554298949.db2.gz FLCLNIWQPMMJOE-UUOWRZLLSA-N 0 0 567.668 3.142 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)cc1OC ZINC000100309734 554298928 /nfs/dbraw/zinc/29/89/28/554298928.db2.gz FLCLNIWQPMMJOE-MHECFPHRSA-N 0 0 567.668 3.142 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)cc1OC ZINC000100309736 554298910 /nfs/dbraw/zinc/29/89/10/554298910.db2.gz FLCLNIWQPMMJOE-KOSHJBKYSA-N 0 0 567.668 3.142 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)cc1OC ZINC000100309739 554298973 /nfs/dbraw/zinc/29/89/73/554298973.db2.gz FLCLNIWQPMMJOE-HOYKHHGWSA-N 0 0 567.668 3.142 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2C)cc1OC ZINC000100309745 554299037 /nfs/dbraw/zinc/29/90/37/554299037.db2.gz JYWQCCOTZWPPEQ-UUOWRZLLSA-N 0 0 567.668 3.142 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2C)cc1OC ZINC000100309749 554299047 /nfs/dbraw/zinc/29/90/47/554299047.db2.gz JYWQCCOTZWPPEQ-MHECFPHRSA-N 0 0 567.668 3.142 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2C)cc1OC ZINC000100309753 554298958 /nfs/dbraw/zinc/29/89/58/554298958.db2.gz JYWQCCOTZWPPEQ-KOSHJBKYSA-N 0 0 567.668 3.142 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2C)cc1OC ZINC000100309755 554298989 /nfs/dbraw/zinc/29/89/89/554298989.db2.gz JYWQCCOTZWPPEQ-HOYKHHGWSA-N 0 0 567.668 3.142 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)cc1OC ZINC000100309757 554298993 /nfs/dbraw/zinc/29/89/93/554298993.db2.gz DJZQKAPAEMETBW-CYFREDJKSA-N 0 0 567.668 3.142 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)cc1OC ZINC000100309759 554299000 /nfs/dbraw/zinc/29/90/00/554299000.db2.gz DJZQKAPAEMETBW-YADARESESA-N 0 0 567.668 3.142 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)cc1OC ZINC000100309763 554298945 /nfs/dbraw/zinc/29/89/45/554298945.db2.gz DJZQKAPAEMETBW-DVECYGJZSA-N 0 0 567.668 3.142 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)cc1OC ZINC000100309765 554299027 /nfs/dbraw/zinc/29/90/27/554299027.db2.gz DJZQKAPAEMETBW-NTKDMRAZSA-N 0 0 567.668 3.142 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)cc1OC ZINC000100309769 554298961 /nfs/dbraw/zinc/29/89/61/554298961.db2.gz AJUJPNFPAWKTPY-CYFREDJKSA-N 0 0 567.668 3.142 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)cc1OC ZINC000100309772 554299005 /nfs/dbraw/zinc/29/90/05/554299005.db2.gz AJUJPNFPAWKTPY-YADARESESA-N 0 0 567.668 3.142 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)cc1OC ZINC000100309777 554298941 /nfs/dbraw/zinc/29/89/41/554298941.db2.gz AJUJPNFPAWKTPY-DVECYGJZSA-N 0 0 567.668 3.142 40 0 KGABRN 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NHMNNCDXMITZRX-CHJDUVSTSA-N 0 0 587.633 3.243 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000100335839 554318728 /nfs/dbraw/zinc/31/87/28/554318728.db2.gz NHMNNCDXMITZRX-SMSORMJASA-N 0 0 587.633 3.243 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000100335843 554318747 /nfs/dbraw/zinc/31/87/47/554318747.db2.gz NHMNNCDXMITZRX-RCRUUEGKSA-N 0 0 587.633 3.243 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000100335847 554318674 /nfs/dbraw/zinc/31/86/74/554318674.db2.gz NHMNNCDXMITZRX-YKGWIAGDSA-N 0 0 587.633 3.243 40 0 KGABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000100335851 554318702 /nfs/dbraw/zinc/31/87/02/554318702.db2.gz GXTYGPSOCDSLQO-CHJDUVSTSA-N 0 0 587.633 3.243 40 0 KGABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000100335855 554318736 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Cc1ccsc1[C@@H](C(=O)NC[C@H]1CCCO1)N(C(=O)Cn1nnc2ccccc21)c1ccc(-n2cnnn2)c(C)c1 ZINC000100335998 554319156 /nfs/dbraw/zinc/31/91/56/554319156.db2.gz VJYKNGVELPEFFQ-RLWLMLJZSA-N 0 0 571.667 3.155 40 0 KGABRN Cc1ccsc1[C@H](C(=O)NC[C@H]1CCCO1)N(C(=O)Cn1nnc2ccccc21)c1ccc(-n2cnnn2)c(C)c1 ZINC000100336001 554319127 /nfs/dbraw/zinc/31/91/27/554319127.db2.gz VJYKNGVELPEFFQ-QFQXNSOFSA-N 0 0 571.667 3.155 40 0 KGABRN CCOc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)ccc1O ZINC000100336126 554319064 /nfs/dbraw/zinc/31/90/64/554319064.db2.gz RQUAOHGLSCFFRI-LGGPFLRQSA-N 0 0 573.606 3.334 40 0 KGABRN CCOc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)ccc1O ZINC000100336132 554319134 /nfs/dbraw/zinc/31/91/34/554319134.db2.gz RQUAOHGLSCFFRI-KCWXNJEJSA-N 0 0 573.606 3.334 40 0 KGABRN CCOc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)ccc1O ZINC000100336137 554319055 /nfs/dbraw/zinc/31/90/55/554319055.db2.gz RQUAOHGLSCFFRI-PBBNMVCDSA-N 0 0 573.606 3.334 40 0 KGABRN CCOc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)ccc1O ZINC000100336140 554319083 /nfs/dbraw/zinc/31/90/83/554319083.db2.gz RQUAOHGLSCFFRI-ONOMSOESSA-N 0 0 573.606 3.334 40 0 KGABRN CCOc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)ccc1O ZINC000100336227 554319440 /nfs/dbraw/zinc/31/94/40/554319440.db2.gz WBTISXKLEMDOOP-CHJDUVSTSA-N 0 0 587.633 3.330 40 0 KGABRN CCOc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)ccc1O ZINC000100336232 554319411 /nfs/dbraw/zinc/31/94/11/554319411.db2.gz WBTISXKLEMDOOP-SMSORMJASA-N 0 0 587.633 3.330 40 0 KGABRN CCOc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)ccc1O ZINC000100336236 554319416 /nfs/dbraw/zinc/31/94/16/554319416.db2.gz WBTISXKLEMDOOP-RCRUUEGKSA-N 0 0 587.633 3.330 40 0 KGABRN CCOc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)ccc1O ZINC000100336238 554319330 /nfs/dbraw/zinc/31/93/30/554319330.db2.gz 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554319338 /nfs/dbraw/zinc/31/93/38/554319338.db2.gz BYXAYBLXRPVHAA-IADCTJSHSA-N 0 0 559.623 3.219 40 0 KGABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)c(OC)c2)cc1 ZINC000100336324 554319400 /nfs/dbraw/zinc/31/94/00/554319400.db2.gz BYXAYBLXRPVHAA-MUAVYFROSA-N 0 0 559.623 3.219 40 0 KGABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)c(OC)c2)cc1 ZINC000100336327 554319313 /nfs/dbraw/zinc/31/93/13/554319313.db2.gz BYXAYBLXRPVHAA-BTYSJIOQSA-N 0 0 559.623 3.219 40 0 KGABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)c(OC)c2)cc1 ZINC000100336334 554319453 /nfs/dbraw/zinc/31/94/53/554319453.db2.gz BYXAYBLXRPVHAA-RNWIMVQKSA-N 0 0 559.623 3.219 40 0 KGABRN COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)c(OC)c2)cc1OC ZINC000100336359 554319376 /nfs/dbraw/zinc/31/93/76/554319376.db2.gz CHJQRBSYWJGIRL-FWUCURJTSA-N 0 0 603.676 3.271 40 0 KGABRN COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)c(OC)c2)cc1OC ZINC000100336364 554319435 /nfs/dbraw/zinc/31/94/35/554319435.db2.gz CHJQRBSYWJGIRL-GTYOFVGBSA-N 0 0 603.676 3.271 40 0 KGABRN COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)c(OC)c2)cc1OC ZINC000100336367 554319329 /nfs/dbraw/zinc/31/93/29/554319329.db2.gz CHJQRBSYWJGIRL-IPBJYNAHSA-N 0 0 603.676 3.271 40 0 KGABRN COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)c(OC)c2)cc1OC ZINC000100336371 554319423 /nfs/dbraw/zinc/31/94/23/554319423.db2.gz CHJQRBSYWJGIRL-SLGOVJDISA-N 0 0 603.676 3.271 40 0 KGABRN O=C(Cn1nnc2ccccc21)N(c1ccc2c(c1)OCCO2)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000100336749 554320185 /nfs/dbraw/zinc/32/01/85/554320185.db2.gz NVGFJHFDNDMYIW-DWACAAAGSA-N 0 0 545.571 3.411 40 0 KGABRN O=C(Cn1nnc2ccccc21)N(c1ccc2c(c1)OCCO2)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000100336753 554320143 /nfs/dbraw/zinc/32/01/43/554320143.db2.gz NVGFJHFDNDMYIW-RBISFHTESA-N 0 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QBDCJPURHRTVSY-KCWPFWIISA-N 0 0 545.571 3.427 40 0 KGABRN COC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000100336790 554320202 /nfs/dbraw/zinc/32/02/02/554320202.db2.gz QBDCJPURHRTVSY-YIXXDRMTSA-N 0 0 545.571 3.427 40 0 KGABRN COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)c1OC ZINC000100336992 554320412 /nfs/dbraw/zinc/32/04/12/554320412.db2.gz XWPKMWXZKOCXCD-MMTVBGGISA-N 0 0 573.606 3.247 40 0 KGABRN COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)c1OC ZINC000100336998 554320440 /nfs/dbraw/zinc/32/04/40/554320440.db2.gz XWPKMWXZKOCXCD-WTYVLRPYSA-N 0 0 573.606 3.247 40 0 KGABRN COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)c1OC ZINC000100337001 554320397 /nfs/dbraw/zinc/32/03/97/554320397.db2.gz XWPKMWXZKOCXCD-NGOKVRLYSA-N 0 0 573.606 3.247 40 0 KGABRN COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)c1OC ZINC000100337005 554320377 /nfs/dbraw/zinc/32/03/77/554320377.db2.gz XWPKMWXZKOCXCD-PIIWDFAUSA-N 0 0 573.606 3.247 40 0 KGABRN COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cc3c(cc2C(C)=O)OCO3)c1OC ZINC000100337009 554320681 /nfs/dbraw/zinc/32/06/81/554320681.db2.gz HMNKMMJDEIBTPS-WRGVRERRSA-N 0 0 615.643 3.450 40 0 KGABRN COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cc3c(cc2C(C)=O)OCO3)c1OC ZINC000100337012 554320654 /nfs/dbraw/zinc/32/06/54/554320654.db2.gz HMNKMMJDEIBTPS-WENCNXQZSA-N 0 0 615.643 3.450 40 0 KGABRN COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cc3c(cc2C(C)=O)OCO3)c1OC ZINC000100337015 554320685 /nfs/dbraw/zinc/32/06/85/554320685.db2.gz HMNKMMJDEIBTPS-KEEVHDRGSA-N 0 0 615.643 3.450 40 0 KGABRN COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cc3c(cc2C(C)=O)OCO3)c1OC ZINC000100337017 554320715 /nfs/dbraw/zinc/32/07/15/554320715.db2.gz HMNKMMJDEIBTPS-PRAQEBQASA-N 0 0 615.643 3.450 40 0 KGABRN COC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccc(OC)c2OC)cc1 ZINC000100337043 554320720 /nfs/dbraw/zinc/32/07/20/554320720.db2.gz FBYJLZUFRVTTIG-DWACAAAGSA-N 0 0 587.633 3.305 40 0 KGABRN COC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccc(OC)c2OC)cc1 ZINC000100337046 554320717 /nfs/dbraw/zinc/32/07/17/554320717.db2.gz FBYJLZUFRVTTIG-RBISFHTESA-N 0 0 587.633 3.305 40 0 KGABRN COC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2cccc(OC)c2OC)cc1 ZINC000100337048 554320697 /nfs/dbraw/zinc/32/06/97/554320697.db2.gz FBYJLZUFRVTTIG-DFHRPNOPSA-N 0 0 587.633 3.305 40 0 KGABRN COC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccc(OC)c2OC)cc1 ZINC000100337051 554320663 /nfs/dbraw/zinc/32/06/63/554320663.db2.gz FBYJLZUFRVTTIG-SKCUWOTOSA-N 0 0 587.633 3.305 40 0 KGABRN COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)c1OC ZINC000100337083 554320707 /nfs/dbraw/zinc/32/07/07/554320707.db2.gz KPLZZRWTEMGNJC-LGGPFLRQSA-N 0 0 587.633 3.243 40 0 KGABRN COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)c1OC ZINC000100337087 554320711 /nfs/dbraw/zinc/32/07/11/554320711.db2.gz KPLZZRWTEMGNJC-KCWXNJEJSA-N 0 0 587.633 3.243 40 0 KGABRN COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)c1OC ZINC000100337089 554320710 /nfs/dbraw/zinc/32/07/10/554320710.db2.gz KPLZZRWTEMGNJC-PBBNMVCDSA-N 0 0 587.633 3.243 40 0 KGABRN COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)c1OC ZINC000100337094 554320667 /nfs/dbraw/zinc/32/06/67/554320667.db2.gz KPLZZRWTEMGNJC-ONOMSOESSA-N 0 0 587.633 3.243 40 0 KGABRN COC(=O)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCCO3)cc1 ZINC000100337323 554320979 /nfs/dbraw/zinc/32/09/79/554320979.db2.gz SEORWTVHRWOPEA-IADCTJSHSA-N 0 0 585.617 3.059 40 0 KGABRN COC(=O)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCCO3)cc1 ZINC000100337329 554321238 /nfs/dbraw/zinc/32/12/38/554321238.db2.gz SEORWTVHRWOPEA-MUAVYFROSA-N 0 0 585.617 3.059 40 0 KGABRN COC(=O)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCCO3)cc1 ZINC000100337332 554321221 /nfs/dbraw/zinc/32/12/21/554321221.db2.gz SEORWTVHRWOPEA-BTYSJIOQSA-N 0 0 585.617 3.059 40 0 KGABRN COC(=O)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCCO3)cc1 ZINC000100337335 554321166 /nfs/dbraw/zinc/32/11/66/554321166.db2.gz SEORWTVHRWOPEA-RNWIMVQKSA-N 0 0 585.617 3.059 40 0 KGABRN COC(=O)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)cc1 ZINC000100337340 554321241 /nfs/dbraw/zinc/32/12/41/554321241.db2.gz KYTONQCARNJJMK-DWACAAAGSA-N 0 0 571.590 3.016 40 0 KGABRN COC(=O)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)cc1 ZINC000100337342 554321172 /nfs/dbraw/zinc/32/11/72/554321172.db2.gz KYTONQCARNJJMK-RBISFHTESA-N 0 0 571.590 3.016 40 0 KGABRN COC(=O)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)cc1 ZINC000100337347 554321224 /nfs/dbraw/zinc/32/12/24/554321224.db2.gz KYTONQCARNJJMK-DFHRPNOPSA-N 0 0 571.590 3.016 40 0 KGABRN COC(=O)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)cc1 ZINC000100337352 554321209 /nfs/dbraw/zinc/32/12/09/554321209.db2.gz KYTONQCARNJJMK-SKCUWOTOSA-N 0 0 571.590 3.016 40 0 KGABRN COC(=O)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)cc1 ZINC000100337354 554321200 /nfs/dbraw/zinc/32/12/00/554321200.db2.gz TXXYVIICAHZBMC-SVEHJYQDSA-N 0 0 584.633 3.246 40 0 KGABRN COC(=O)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)cc1 ZINC000100337358 554321203 /nfs/dbraw/zinc/32/12/03/554321203.db2.gz TXXYVIICAHZBMC-ABYGYWHVSA-N 0 0 584.633 3.246 40 0 KGABRN COC(=O)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)cc1 ZINC000100337363 554321212 /nfs/dbraw/zinc/32/12/12/554321212.db2.gz TXXYVIICAHZBMC-IRPSRAIASA-N 0 0 584.633 3.246 40 0 KGABRN COC(=O)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)cc1 ZINC000100337365 554321195 /nfs/dbraw/zinc/32/11/95/554321195.db2.gz TXXYVIICAHZBMC-VAVYLYDRSA-N 0 0 584.633 3.246 40 0 KGABRN COC(=O)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000100337368 554321190 /nfs/dbraw/zinc/32/11/90/554321190.db2.gz ILGIYQVVQNFEJQ-HOFKKMOUSA-N 0 0 545.571 3.427 40 0 KGABRN COC(=O)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000100337371 554321159 /nfs/dbraw/zinc/32/11/59/554321159.db2.gz ILGIYQVVQNFEJQ-WNCULLNHSA-N 0 0 545.571 3.427 40 0 KGABRN COC(=O)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000100337375 554321218 /nfs/dbraw/zinc/32/12/18/554321218.db2.gz ILGIYQVVQNFEJQ-KCWPFWIISA-N 0 0 545.571 3.427 40 0 KGABRN COC(=O)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000100337380 554321232 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ZINC000101575293 554798717 /nfs/dbraw/zinc/79/87/17/554798717.db2.gz MTORMZIRSIPPMN-PLPYLBSESA-N 0 0 618.709 3.029 40 0 KGABRN CC(=O)N[C@@H]1[C@@H](Sc2nnc(COc3ccccc3C)n2C2CCCC2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000101575299 554798649 /nfs/dbraw/zinc/79/86/49/554798649.db2.gz MTORMZIRSIPPMN-HKFGFSCZSA-N 0 0 618.709 3.029 40 0 KGABRN CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccccc3C)n2C2CCCC2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000101575303 554798702 /nfs/dbraw/zinc/79/87/02/554798702.db2.gz MTORMZIRSIPPMN-ZZMHRXRUSA-N 0 0 618.709 3.029 40 0 KGABRN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccc4c(c2)OCO4)N2C=Cc4ccccc4[C@@H]32)cc1 ZINC000101592866 554803156 /nfs/dbraw/zinc/80/31/56/554803156.db2.gz UOCJTMWUBLXYND-XDZXDJIYSA-N 0 0 537.528 3.495 40 0 KGABRN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=CN2[C@@H]3C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000101592873 554803042 /nfs/dbraw/zinc/80/30/42/554803042.db2.gz UOCJTMWUBLXYND-CWTOASCOSA-N 0 0 537.528 3.495 40 0 KGABRN CC(=O)Oc1ccc(N2C(=O)C3=C(C(O)n4nnc5ccccc54)N4c5ccccc5C=C[C@H]4[C@@H]3C2=O)cc1 ZINC000101592982 554803355 /nfs/dbraw/zinc/80/33/55/554803355.db2.gz HBMOWCNXOACRIR-SSUZURRFSA-N 0 0 519.517 3.087 40 0 KGABRN CC(=O)Oc1ccc(N2C(=O)C3=C(C(O)n4nnc5ccccc54)N4c5ccccc5C=C[C@@H]4[C@@H]3C2=O)cc1 ZINC000101592991 554803369 /nfs/dbraw/zinc/80/33/69/554803369.db2.gz HBMOWCNXOACRIR-ZJSPYRCASA-N 0 0 519.517 3.087 40 0 KGABRN CCOC(=O)c1sc(NC(=O)CSC2=N/C(=C/c3cnn(C)c3)C(=O)N2CCCOC)c(C(=O)OCC)c1C ZINC000101610539 554805435 /nfs/dbraw/zinc/80/54/35/554805435.db2.gz ZRQMNCRFLUQHCN-GZTJUZNOSA-N 0 0 577.685 3.091 40 0 KGABRN O=C(NCCCCCCNC(=O)c1ccc2c(c1)OCCOCCOCCO2)c1ccc2c(c1)OCCOCCOCCO2 ZINC000101660575 554821853 /nfs/dbraw/zinc/82/18/53/554821853.db2.gz SYUYSYDIIRQOOG-UHFFFAOYSA-N 0 0 616.708 3.016 40 0 biogenic,in-vitro KGABRN CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C(=O)OCCOC)[C@@]12c1cc(Br)ccc1NC2=O ZINC000101670928 554824450 /nfs/dbraw/zinc/82/44/50/554824450.db2.gz TTZNTDICTHWOAA-VWLOTQADSA-N 0 0 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40 0 KGABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000222484884 571363728 /nfs/dbraw/zinc/36/37/28/571363728.db2.gz QDTLMTWRSJNLOX-XMMPIXPASA-N 0 0 501.649 3.296 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222484891 571363824 /nfs/dbraw/zinc/36/38/24/571363824.db2.gz LQQYOOULKKJAAP-CVDCTZTESA-N 0 0 529.659 3.342 40 0 KGABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222484894 571363802 /nfs/dbraw/zinc/36/38/02/571363802.db2.gz WWMLDJGGSAWTPP-HSZRJFAPSA-N 0 0 540.041 3.261 40 0 KGABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222484964 571363793 /nfs/dbraw/zinc/36/37/93/571363793.db2.gz WWMLDJGGSAWTPP-QHCPKHFHSA-N 0 0 540.041 3.261 40 0 KGABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000222490184 571364010 /nfs/dbraw/zinc/36/40/10/571364010.db2.gz LJPXOHWYAVIROD-QFIPXVFZSA-N 0 0 517.648 3.212 40 0 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CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000222495617 571364227 /nfs/dbraw/zinc/36/42/27/571364227.db2.gz JYWFIZBKMPEUNU-QFIPXVFZSA-N 0 0 506.644 3.079 40 0 KGABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000222495684 571364231 /nfs/dbraw/zinc/36/42/31/571364231.db2.gz JYWFIZBKMPEUNU-JOCHJYFZSA-N 0 0 506.644 3.079 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000222505334 571364883 /nfs/dbraw/zinc/36/48/83/571364883.db2.gz XNQPXRNTXGZKRV-CQSZACIVSA-N 0 0 516.845 3.032 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000222505412 571364884 /nfs/dbraw/zinc/36/48/84/571364884.db2.gz XNQPXRNTXGZKRV-AWEZNQCLSA-N 0 0 516.845 3.032 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000222505500 571364885 /nfs/dbraw/zinc/36/48/85/571364885.db2.gz HOHZQMPAQNIWHU-CQSZACIVSA-N 0 0 516.845 3.032 40 0 KGABRN 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CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000222507927 571365218 /nfs/dbraw/zinc/36/52/18/571365218.db2.gz PWYUROVPXUKOQH-RUZDIDTESA-N 0 0 511.619 3.286 40 0 KGABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000222507988 571365211 /nfs/dbraw/zinc/36/52/11/571365211.db2.gz PWYUROVPXUKOQH-VWLOTQADSA-N 0 0 511.619 3.286 40 0 KGABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222508079 571365160 /nfs/dbraw/zinc/36/51/60/571365160.db2.gz RDWRJSYFYMEYRW-RUZDIDTESA-N 0 0 511.619 3.286 40 0 KGABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222508146 571365177 /nfs/dbraw/zinc/36/51/77/571365177.db2.gz RDWRJSYFYMEYRW-VWLOTQADSA-N 0 0 511.619 3.286 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000222508642 571365155 /nfs/dbraw/zinc/36/51/55/571365155.db2.gz FPZGATQIQDOKGS-CQSZACIVSA-N 0 0 516.845 3.032 40 0 KGABRN 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KGABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSc3n[nH]c(-c4ccccc4)n3)CC2)cc1 ZINC000222575705 571372849 /nfs/dbraw/zinc/37/28/49/571372849.db2.gz GFZIXKNXMGIKFL-UHFFFAOYSA-N 0 0 515.661 3.180 40 0 KGABRN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC)c1ccc2c(c1)OCO2 ZINC000222575920 571372819 /nfs/dbraw/zinc/37/28/19/571372819.db2.gz YAVWDZRNYVWQTC-DEOSSOPVSA-N 0 0 555.628 3.097 40 0 KGABRN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC)c1ccc2c(c1)OCCO2 ZINC000222576032 571372844 /nfs/dbraw/zinc/37/28/44/571372844.db2.gz JWTSGMXMARORBB-VWLOTQADSA-N 0 0 569.655 3.139 40 0 KGABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000222576147 571372809 /nfs/dbraw/zinc/37/28/09/571372809.db2.gz UTNYKXYUNZJNLI-HHHXNRCGSA-N 0 0 554.688 3.441 40 0 KGABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000222576221 571372769 /nfs/dbraw/zinc/37/27/69/571372769.db2.gz UTNYKXYUNZJNLI-MHZLTWQESA-N 0 0 554.688 3.441 40 0 KGABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1C ZINC000222577780 571373057 /nfs/dbraw/zinc/37/30/57/571373057.db2.gz IZPOQQWIFJBFSR-UHFFFAOYSA-N 0 0 520.648 3.479 40 0 KGABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSc3n[nH]c(-c4ccccc4)n3)CC2)cc1C ZINC000222578961 571373118 /nfs/dbraw/zinc/37/31/18/571373118.db2.gz XLRXJQKLLAUUBX-UHFFFAOYSA-N 0 0 529.688 3.488 40 0 KGABRN CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC)S(C)(=O)=O ZINC000222579010 571373145 /nfs/dbraw/zinc/37/31/45/571373145.db2.gz PZTNMUKVTRQZIA-SFHVURJKSA-N 0 0 510.056 3.448 40 0 KGABRN CCOc1ccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000222579100 571373158 /nfs/dbraw/zinc/37/31/58/571373158.db2.gz AGMAVXHYZBKLJM-SFHVURJKSA-N 0 0 510.056 3.448 40 0 KGABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000222579837 571373198 /nfs/dbraw/zinc/37/31/98/571373198.db2.gz WIVCKGGYGVEINT-RUZDIDTESA-N 0 0 511.619 3.141 40 0 KGABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000222579903 571373180 /nfs/dbraw/zinc/37/31/80/571373180.db2.gz WIVCKGGYGVEINT-VWLOTQADSA-N 0 0 511.619 3.141 40 0 KGABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000222579987 571373261 /nfs/dbraw/zinc/37/32/61/571373261.db2.gz CIOHNRGIRPXAJM-FQEVSTJZSA-N 0 0 510.056 3.447 40 0 KGABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000222580064 571373351 /nfs/dbraw/zinc/37/33/51/571373351.db2.gz CIOHNRGIRPXAJM-HXUWFJFHSA-N 0 0 510.056 3.447 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222580107 571373325 /nfs/dbraw/zinc/37/33/25/571373325.db2.gz VRODWKFKHZXPRD-OAHLLOKOSA-N 0 0 501.983 3.328 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222580167 571373339 /nfs/dbraw/zinc/37/33/39/571373339.db2.gz VRODWKFKHZXPRD-HNNXBMFYSA-N 0 0 501.983 3.328 40 0 KGABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222582604 571373512 /nfs/dbraw/zinc/37/35/12/571373512.db2.gz FPVIGBGBYAALMQ-HYBUGGRVSA-N 0 0 503.665 3.226 40 0 KGABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222582669 571373535 /nfs/dbraw/zinc/37/35/35/571373535.db2.gz FPVIGBGBYAALMQ-GBXCKJPGSA-N 0 0 503.665 3.226 40 0 KGABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222582772 571373522 /nfs/dbraw/zinc/37/35/22/571373522.db2.gz WMAYSTLXMARQOI-HYBUGGRVSA-N 0 0 503.665 3.226 40 0 KGABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222582835 571373569 /nfs/dbraw/zinc/37/35/69/571373569.db2.gz WMAYSTLXMARQOI-GBXCKJPGSA-N 0 0 503.665 3.226 40 0 KGABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222582863 571373515 /nfs/dbraw/zinc/37/35/15/571373515.db2.gz HRHTZQLCIBRMAG-XMMPIXPASA-N 0 0 537.613 3.137 40 0 KGABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222582927 571373528 /nfs/dbraw/zinc/37/35/28/571373528.db2.gz HRHTZQLCIBRMAG-DEOSSOPVSA-N 0 0 537.613 3.137 40 0 KGABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)CC1 ZINC000222582975 571373567 /nfs/dbraw/zinc/37/35/67/571373567.db2.gz OHKBHXOXFGGTNG-NRFANRHFSA-N 0 0 523.007 3.107 40 0 KGABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)CC1 ZINC000222583042 571373546 /nfs/dbraw/zinc/37/35/46/571373546.db2.gz OHKBHXOXFGGTNG-OAQYLSRUSA-N 0 0 523.007 3.107 40 0 KGABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000222583101 571373550 /nfs/dbraw/zinc/37/35/50/571373550.db2.gz LALLJIHFNBYFCO-NFBKMPQASA-N 0 0 533.691 3.234 40 0 KGABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000222583171 571373609 /nfs/dbraw/zinc/37/36/09/571373609.db2.gz LALLJIHFNBYFCO-NZQKXSOJSA-N 0 0 533.691 3.234 40 0 KGABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000222583253 571373615 /nfs/dbraw/zinc/37/36/15/571373615.db2.gz LGJOTNHQXBCBMC-NFBKMPQASA-N 0 0 533.691 3.234 40 0 KGABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000222583310 571373651 /nfs/dbraw/zinc/37/36/51/571373651.db2.gz LGJOTNHQXBCBMC-NZQKXSOJSA-N 0 0 533.691 3.234 40 0 KGABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000222583402 571373622 /nfs/dbraw/zinc/37/36/22/571373622.db2.gz ZKCPDHARKNSGQO-NFBKMPQASA-N 0 0 533.691 3.234 40 0 KGABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222583415 571373581 /nfs/dbraw/zinc/37/35/81/571373581.db2.gz SRKLHZHYZRAENQ-FQEVSTJZSA-N 0 0 524.039 3.167 40 0 KGABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000222583461 571373629 /nfs/dbraw/zinc/37/36/29/571373629.db2.gz ZKCPDHARKNSGQO-NZQKXSOJSA-N 0 0 533.691 3.234 40 0 KGABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222583480 571373626 /nfs/dbraw/zinc/37/36/26/571373626.db2.gz SRKLHZHYZRAENQ-HXUWFJFHSA-N 0 0 524.039 3.167 40 0 KGABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000222584305 571373770 /nfs/dbraw/zinc/37/37/70/571373770.db2.gz IJASJCFNZJPOKA-XMMPIXPASA-N 0 0 532.037 3.486 40 0 KGABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000222584369 571373773 /nfs/dbraw/zinc/37/37/73/571373773.db2.gz IJASJCFNZJPOKA-DEOSSOPVSA-N 0 0 532.037 3.486 40 0 KGABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)CC1 ZINC000222584536 571373709 /nfs/dbraw/zinc/37/37/09/571373709.db2.gz SAQYIBWXGDNAHI-UHFFFAOYSA-N 0 0 544.095 3.337 40 0 KGABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222584789 571373759 /nfs/dbraw/zinc/37/37/59/571373759.db2.gz PMXHMUWSVIJULR-QFIPXVFZSA-N 0 0 509.072 3.285 40 0 KGABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222584855 571373685 /nfs/dbraw/zinc/37/36/85/571373685.db2.gz PMXHMUWSVIJULR-JOCHJYFZSA-N 0 0 509.072 3.285 40 0 KGABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000222584963 571373688 /nfs/dbraw/zinc/37/36/88/571373688.db2.gz COWPCKXECAQWJO-LJQANCHMSA-N 0 0 506.621 3.170 40 0 KGABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222585132 571373736 /nfs/dbraw/zinc/37/37/36/571373736.db2.gz LUQWSIMKISCMPK-NRFANRHFSA-N 0 0 538.066 3.209 40 0 KGABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222585204 571373750 /nfs/dbraw/zinc/37/37/50/571373750.db2.gz LUQWSIMKISCMPK-OAQYLSRUSA-N 0 0 538.066 3.209 40 0 KGABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3n[nH]c(-c4ccccc4)n3)C2)cc1 ZINC000222585969 571373876 /nfs/dbraw/zinc/37/38/76/571373876.db2.gz UVHWGVMWYNRBAE-LJQANCHMSA-N 0 0 515.661 3.180 40 0 KGABRN COC(=O)c1cn(C(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c2ccccc12 ZINC000222587163 571373991 /nfs/dbraw/zinc/37/39/91/571373991.db2.gz YEZDEBGATOBRNF-UHFFFAOYSA-N 0 0 512.325 3.139 40 0 KGABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1C ZINC000222588548 571374076 /nfs/dbraw/zinc/37/40/76/571374076.db2.gz BTZRRAOAEXMVAZ-HXUWFJFHSA-N 0 0 520.648 3.479 40 0 KGABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000222589166 571374215 /nfs/dbraw/zinc/37/42/15/571374215.db2.gz VKEQMNOUUYVOCD-QFIPXVFZSA-N 0 0 527.062 3.424 40 0 KGABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000222589230 571374145 /nfs/dbraw/zinc/37/41/45/571374145.db2.gz VKEQMNOUUYVOCD-JOCHJYFZSA-N 0 0 527.062 3.424 40 0 KGABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3n[nH]c(-c4ccccc4)n3)C2)cc1C ZINC000222589592 571374148 /nfs/dbraw/zinc/37/41/48/571374148.db2.gz PQUWPPDQOKIPLV-HXUWFJFHSA-N 0 0 529.688 3.488 40 0 KGABRN 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CCOc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000222651989 571380247 /nfs/dbraw/zinc/38/02/47/571380247.db2.gz JQTBSQVNPBPKEU-HNNXBMFYSA-N 0 0 516.447 3.321 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCSc1n[nH]c(-c2ccccc2)n1 ZINC000222652314 571380277 /nfs/dbraw/zinc/38/02/77/571380277.db2.gz YVQMSHVJGNJCRE-UHFFFAOYSA-N 0 0 523.640 3.238 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000222653274 571380368 /nfs/dbraw/zinc/38/03/68/571380368.db2.gz RKDJIIRVBRTKEX-OAHLLOKOSA-N 0 0 516.447 3.240 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000222653343 571380369 /nfs/dbraw/zinc/38/03/69/571380369.db2.gz RKDJIIRVBRTKEX-HNNXBMFYSA-N 0 0 516.447 3.240 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000222653762 571380439 /nfs/dbraw/zinc/38/04/39/571380439.db2.gz DHFFNEPZARSTKD-UHFFFAOYSA-N 0 0 507.612 3.348 40 0 KGABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000222656624 571380615 /nfs/dbraw/zinc/38/06/15/571380615.db2.gz RORJVZXIYPDBOV-SANMLTNESA-N 0 0 537.638 3.110 40 0 KGABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000222656670 571380638 /nfs/dbraw/zinc/38/06/38/571380638.db2.gz RORJVZXIYPDBOV-AREMUKBSSA-N 0 0 537.638 3.110 40 0 KGABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 ZINC000222656755 571380608 /nfs/dbraw/zinc/38/06/08/571380608.db2.gz LXIBGTZWILMXAY-MHZLTWQESA-N 0 0 551.665 3.153 40 0 KGABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 ZINC000222656818 571380658 /nfs/dbraw/zinc/38/06/58/571380658.db2.gz LXIBGTZWILMXAY-HHHXNRCGSA-N 0 0 551.665 3.153 40 0 KGABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222658141 571380809 /nfs/dbraw/zinc/38/08/09/571380809.db2.gz VETKHNKUQNEIIO-IBGZPJMESA-N 0 0 517.648 3.294 40 0 KGABRN CCc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000222658201 571380870 /nfs/dbraw/zinc/38/08/70/571380870.db2.gz JIUNEJUDFVDQBS-HNNXBMFYSA-N 0 0 500.448 3.485 40 0 KGABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222658209 571380857 /nfs/dbraw/zinc/38/08/57/571380857.db2.gz VETKHNKUQNEIIO-LJQANCHMSA-N 0 0 517.648 3.294 40 0 KGABRN Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)N(C)C)c1 ZINC000222660503 571381040 /nfs/dbraw/zinc/38/10/40/571381040.db2.gz LYPIWUHTNLDCNP-NRFANRHFSA-N 0 0 502.681 3.248 40 0 KGABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000222661412 571381190 /nfs/dbraw/zinc/38/11/90/571381190.db2.gz AHQPDDPIROHWFO-IBVKSMDESA-N 0 0 537.638 3.253 40 0 KGABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000222661474 571381192 /nfs/dbraw/zinc/38/11/92/571381192.db2.gz AHQPDDPIROHWFO-FNZWTVRRSA-N 0 0 537.638 3.253 40 0 KGABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000222661547 571381171 /nfs/dbraw/zinc/38/11/71/571381171.db2.gz AHQPDDPIROHWFO-FQRUVTKNSA-N 0 0 537.638 3.253 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000222661610 571381159 /nfs/dbraw/zinc/38/11/59/571381159.db2.gz KEEMVHPUJVRELL-CQSZACIVSA-N 0 0 514.431 3.125 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000222661674 571381157 /nfs/dbraw/zinc/38/11/57/571381157.db2.gz KEEMVHPUJVRELL-AWEZNQCLSA-N 0 0 514.431 3.125 40 0 KGABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000222661902 571381217 /nfs/dbraw/zinc/38/12/17/571381217.db2.gz AHQPDDPIROHWFO-RXFWQSSRSA-N 0 0 537.638 3.253 40 0 KGABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 ZINC000222661985 571381274 /nfs/dbraw/zinc/38/12/74/571381274.db2.gz FAADQEUHTHGNNR-ZBLYBZFDSA-N 0 0 551.665 3.295 40 0 KGABRN 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CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCc2ccncc2)cc1 ZINC000222717721 571388637 /nfs/dbraw/zinc/38/86/37/571388637.db2.gz VVMKVBHSCIPARK-OAQYLSRUSA-N 0 0 508.644 3.046 40 0 KGABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000222717806 571388644 /nfs/dbraw/zinc/38/86/44/571388644.db2.gz DNBAHEAGMVRJEU-NRFANRHFSA-N 0 0 551.665 3.380 40 0 KGABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000222717872 571388687 /nfs/dbraw/zinc/38/86/87/571388687.db2.gz DNBAHEAGMVRJEU-OAQYLSRUSA-N 0 0 551.665 3.380 40 0 KGABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCCCOC(C)C)cc1 ZINC000222718126 571388689 /nfs/dbraw/zinc/38/86/89/571388689.db2.gz GXBZFHJEMCMSJK-QFIPXVFZSA-N 0 0 517.692 3.266 40 0 KGABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCCCOC(C)C)cc1 ZINC000222718176 571388671 /nfs/dbraw/zinc/38/86/71/571388671.db2.gz GXBZFHJEMCMSJK-JOCHJYFZSA-N 0 0 517.692 3.266 40 0 KGABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000222720646 571389083 /nfs/dbraw/zinc/38/90/83/571389083.db2.gz HSPIXLLJQXOFDE-UHFFFAOYSA-N 0 0 529.640 3.014 40 0 KGABRN C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222721958 571389367 /nfs/dbraw/zinc/38/93/67/571389367.db2.gz PCMXYTINPOATAL-DHLKQENFSA-N 0 0 527.687 3.116 40 0 KGABRN C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222722023 571389420 /nfs/dbraw/zinc/38/94/20/571389420.db2.gz PCMXYTINPOATAL-RDGATRHJSA-N 0 0 527.687 3.116 40 0 KGABRN C[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222722086 571389375 /nfs/dbraw/zinc/38/93/75/571389375.db2.gz PCMXYTINPOATAL-WIOPSUGQSA-N 0 0 527.687 3.116 40 0 KGABRN C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222722140 571389347 /nfs/dbraw/zinc/38/93/47/571389347.db2.gz PCMXYTINPOATAL-RCZVLFRGSA-N 0 0 527.687 3.116 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222722199 571389345 /nfs/dbraw/zinc/38/93/45/571389345.db2.gz KHGVMXDBZJGGDR-CQSZACIVSA-N 0 0 512.415 3.081 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222722252 571389391 /nfs/dbraw/zinc/38/93/91/571389391.db2.gz KHGVMXDBZJGGDR-AWEZNQCLSA-N 0 0 512.415 3.081 40 0 KGABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000222722723 571389527 /nfs/dbraw/zinc/38/95/27/571389527.db2.gz ZRHLDMUDNPGTGM-SANMLTNESA-N 0 0 537.638 3.254 40 0 KGABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000222722798 571389465 /nfs/dbraw/zinc/38/94/65/571389465.db2.gz ZRHLDMUDNPGTGM-AREMUKBSSA-N 0 0 537.638 3.254 40 0 KGABRN CCOCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222722799 571389486 /nfs/dbraw/zinc/38/94/86/571389486.db2.gz ZJUSDKRCBGAHCP-HSZRJFAPSA-N 0 0 529.703 3.364 40 0 KGABRN 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CCOc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222724538 571389668 /nfs/dbraw/zinc/38/96/68/571389668.db2.gz URABQGANCSSZQN-FQEVSTJZSA-N 0 0 503.665 3.492 40 0 KGABRN CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000222724627 571389735 /nfs/dbraw/zinc/38/97/35/571389735.db2.gz QWTJFDRZFUNKBM-FQEVSTJZSA-N 0 0 503.665 3.492 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c(OC)c1 ZINC000222724713 571389719 /nfs/dbraw/zinc/38/97/19/571389719.db2.gz NZZNFGBZXLYHTJ-IBGZPJMESA-N 0 0 519.664 3.110 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000222724810 571389664 /nfs/dbraw/zinc/38/96/64/571389664.db2.gz NGENQFWGKSVXHX-IBGZPJMESA-N 0 0 519.664 3.110 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC ZINC000222724916 571389702 /nfs/dbraw/zinc/38/97/02/571389702.db2.gz WPDWHEDSKUUHQC-IBGZPJMESA-N 0 0 519.664 3.110 40 0 KGABRN COc1ccc(C)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222725414 571389840 /nfs/dbraw/zinc/38/98/40/571389840.db2.gz VNOQGAZFNIVNFE-FQEVSTJZSA-N 0 0 503.665 3.410 40 0 KGABRN Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000222725513 571389778 /nfs/dbraw/zinc/38/97/78/571389778.db2.gz DWHHEFAUEHWMIT-UHFFFAOYSA-N 0 0 582.498 3.032 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222725996 571389900 /nfs/dbraw/zinc/38/99/00/571389900.db2.gz FXASWDLTYPIGQW-MRXNPFEDSA-N 0 0 558.484 3.474 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222726061 571389949 /nfs/dbraw/zinc/38/99/49/571389949.db2.gz FXASWDLTYPIGQW-INIZCTEOSA-N 0 0 558.484 3.474 40 0 KGABRN NC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000222726771 571390023 /nfs/dbraw/zinc/39/00/23/571390023.db2.gz SURBSJKQXKOQFS-UHFFFAOYSA-N 0 0 518.389 3.295 40 0 KGABRN 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COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(CC(N)=O)cc3)cc2)cc1Cl ZINC000222733569 571390999 /nfs/dbraw/zinc/39/09/99/571390999.db2.gz HTDQBIUXDOJMDF-UHFFFAOYSA-N 0 0 503.964 3.195 40 0 KGABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)cc2)c1 ZINC000222734322 571391159 /nfs/dbraw/zinc/39/11/59/571391159.db2.gz AXSKPIGKKNSKLX-UHFFFAOYSA-N 0 0 554.046 3.383 40 0 KGABRN CCS(=O)(=O)N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000222734887 571391261 /nfs/dbraw/zinc/39/12/61/571391261.db2.gz KTJNONAZYRXUFW-IBGZPJMESA-N 0 0 517.648 3.212 40 0 KGABRN CCS(=O)(=O)N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000222734986 571391246 /nfs/dbraw/zinc/39/12/46/571391246.db2.gz DVRSIQWGCOOVKE-FQEVSTJZSA-N 0 0 531.675 3.254 40 0 KGABRN Cc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222735158 571391250 /nfs/dbraw/zinc/39/12/50/571391250.db2.gz ANRIHJDRDAUSLB-IBGZPJMESA-N 0 0 506.644 3.079 40 0 KGABRN C[C@@H](C(=O)NCc1ccco1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222735686 571391366 /nfs/dbraw/zinc/39/13/66/571391366.db2.gz IEAHNQZPAPLEMZ-FQEVSTJZSA-N 0 0 509.628 3.387 40 0 KGABRN C[C@H](C(=O)NCc1ccco1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222735751 571391340 /nfs/dbraw/zinc/39/13/40/571391340.db2.gz IEAHNQZPAPLEMZ-HXUWFJFHSA-N 0 0 509.628 3.387 40 0 KGABRN C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222736125 571391477 /nfs/dbraw/zinc/39/14/77/571391477.db2.gz HIASLBUMECNDJX-NRFANRHFSA-N 0 0 520.655 3.189 40 0 KGABRN C[C@H](C(=O)NCc1ccccn1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222736190 571391444 /nfs/dbraw/zinc/39/14/44/571391444.db2.gz HIASLBUMECNDJX-OAQYLSRUSA-N 0 0 520.655 3.189 40 0 KGABRN C[C@@H](C(=O)NCc1cccnc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222736270 571391475 /nfs/dbraw/zinc/39/14/75/571391475.db2.gz IMMIPXPZJRBMPM-NRFANRHFSA-N 0 0 520.655 3.189 40 0 KGABRN C[C@H](C(=O)NCc1cccnc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222736318 571391429 /nfs/dbraw/zinc/39/14/29/571391429.db2.gz IMMIPXPZJRBMPM-OAQYLSRUSA-N 0 0 520.655 3.189 40 0 KGABRN C[C@@H](C(=O)NCc1ccncc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222736401 571391448 /nfs/dbraw/zinc/39/14/48/571391448.db2.gz BTBMVIZYXGWGRZ-NRFANRHFSA-N 0 0 520.655 3.189 40 0 KGABRN C[C@H](C(=O)NCc1ccncc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222736460 571391500 /nfs/dbraw/zinc/39/15/00/571391500.db2.gz BTBMVIZYXGWGRZ-OAQYLSRUSA-N 0 0 520.655 3.189 40 0 KGABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000222736605 571391437 /nfs/dbraw/zinc/39/14/37/571391437.db2.gz KZBIRWLXMIPBHC-UHFFFAOYSA-N 0 0 542.658 3.313 40 0 KGABRN CCOCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222736694 571391591 /nfs/dbraw/zinc/39/15/91/571391591.db2.gz KHPUXQLBTZBUEX-OAQYLSRUSA-N 0 0 515.676 3.020 40 0 KGABRN CCOCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222736756 571391548 /nfs/dbraw/zinc/39/15/48/571391548.db2.gz KHPUXQLBTZBUEX-NRFANRHFSA-N 0 0 515.676 3.020 40 0 KGABRN CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222736862 571391575 /nfs/dbraw/zinc/39/15/75/571391575.db2.gz JNJUTTVBJIMDCL-JOCHJYFZSA-N 0 0 529.703 3.409 40 0 KGABRN CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222736917 571391536 /nfs/dbraw/zinc/39/15/36/571391536.db2.gz JNJUTTVBJIMDCL-QFIPXVFZSA-N 0 0 529.703 3.409 40 0 KGABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2)c1 ZINC000222737798 571391676 /nfs/dbraw/zinc/39/16/76/571391676.db2.gz HOUQJZZPKNWKCH-UHFFFAOYSA-N 0 0 533.628 3.072 40 0 KGABRN Cc1c(Cl)cccc1N(CCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)S(C)(=O)=O ZINC000222738330 571391701 /nfs/dbraw/zinc/39/17/01/571391701.db2.gz NGHATMXEAZSABU-UHFFFAOYSA-N 0 0 508.040 3.268 40 0 KGABRN Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000222738933 571391782 /nfs/dbraw/zinc/39/17/82/571391782.db2.gz PLKWCKDOOIPCLF-UHFFFAOYSA-N 0 0 552.074 3.231 40 0 KGABRN Cc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222739690 571391867 /nfs/dbraw/zinc/39/18/67/571391867.db2.gz XTICNJSYQGCJIQ-IBGZPJMESA-N 0 0 506.644 3.079 40 0 KGABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1 ZINC000222743554 571392269 /nfs/dbraw/zinc/39/22/69/571392269.db2.gz CNVHTSDSTKTXTO-UHFFFAOYSA-N 0 0 580.084 3.034 40 0 KGABRN CCc1ccccc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC)S(C)(=O)=O ZINC000222747030 571392616 /nfs/dbraw/zinc/39/26/16/571392616.db2.gz GWEHVMXXTAOPPH-HNNXBMFYSA-N 0 0 500.448 3.485 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000222747214 571392632 /nfs/dbraw/zinc/39/26/32/571392632.db2.gz QHOLVERYNNZGJX-SANMLTNESA-N 0 0 537.638 3.207 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000222747271 571392627 /nfs/dbraw/zinc/39/26/27/571392627.db2.gz QHOLVERYNNZGJX-AREMUKBSSA-N 0 0 537.638 3.207 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 ZINC000222747363 571392625 /nfs/dbraw/zinc/39/26/25/571392625.db2.gz PRFVUTWDWSHNIO-MHZLTWQESA-N 0 0 551.665 3.249 40 0 KGABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 ZINC000222747414 571392620 /nfs/dbraw/zinc/39/26/20/571392620.db2.gz PRFVUTWDWSHNIO-HHHXNRCGSA-N 0 0 551.665 3.249 40 0 KGABRN CCOc1ccccc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC)S(C)(=O)=O ZINC000222748382 571392709 /nfs/dbraw/zinc/39/27/09/571392709.db2.gz OOUPCYLQDGNPAO-HNNXBMFYSA-N 0 0 516.447 3.321 40 0 KGABRN CCOc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000222748491 571392831 /nfs/dbraw/zinc/39/28/31/571392831.db2.gz VKLBCQSLBMVZNQ-HNNXBMFYSA-N 0 0 516.447 3.321 40 0 KGABRN COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc(OC)c1OC ZINC000222748829 571392857 /nfs/dbraw/zinc/39/28/57/571392857.db2.gz MDAHPAXXCMVASL-UHFFFAOYSA-N 0 0 506.621 3.315 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000222749777 571392994 /nfs/dbraw/zinc/39/29/94/571392994.db2.gz AJAUBBPQELWOPH-OAHLLOKOSA-N 0 0 516.447 3.240 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000222749840 571392992 /nfs/dbraw/zinc/39/29/92/571392992.db2.gz AJAUBBPQELWOPH-HNNXBMFYSA-N 0 0 516.447 3.240 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCCSc1n[nH]c(-c2ccccc2)n1 ZINC000222749856 571392920 /nfs/dbraw/zinc/39/29/20/571392920.db2.gz WGCKXVTXXXVXAK-UHFFFAOYSA-N 0 0 515.661 3.324 40 0 KGABRN COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc(OC)c1OC ZINC000222752056 571393107 /nfs/dbraw/zinc/39/31/07/571393107.db2.gz FDEBZDBEQCDNLB-UHFFFAOYSA-N 0 0 506.621 3.170 40 0 KGABRN CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NCCSc3n[nH]c(-c4ccccc4)n3)cc2)CC1 ZINC000222753115 571393181 /nfs/dbraw/zinc/39/31/81/571393181.db2.gz QJWIITMKHGZFJZ-UHFFFAOYSA-N 0 0 515.661 3.180 40 0 KGABRN CCc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000222754528 571393350 /nfs/dbraw/zinc/39/33/50/571393350.db2.gz VNZYJGFZESCJLB-HNNXBMFYSA-N 0 0 500.448 3.485 40 0 KGABRN COc1ccc(C(=O)N2CCc3ccc(NC(=O)COc4ccc(S(=O)(=O)N(C)C)cc4)cc32)cc1 ZINC000222756529 571393594 /nfs/dbraw/zinc/39/35/94/571393594.db2.gz WBVNQVGWVGXKRU-UHFFFAOYSA-N 0 0 509.584 3.166 40 0 KGABRN CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1 ZINC000222756617 571393556 /nfs/dbraw/zinc/39/35/56/571393556.db2.gz FESFUTKMFDGKRX-UHFFFAOYSA-N 0 0 550.058 3.359 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000222757862 571393804 /nfs/dbraw/zinc/39/38/04/571393804.db2.gz RZPSRHRCTARAEI-CQSZACIVSA-N 0 0 514.431 3.125 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000222757916 571393837 /nfs/dbraw/zinc/39/38/37/571393837.db2.gz RZPSRHRCTARAEI-AWEZNQCLSA-N 0 0 514.431 3.125 40 0 KGABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCCSc1n[nH]c(-c2ccccc2)n1 ZINC000222759721 571393973 /nfs/dbraw/zinc/39/39/73/571393973.db2.gz GKHVWDGIAGBKHP-UHFFFAOYSA-N 0 0 503.650 3.002 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222760123 571394113 /nfs/dbraw/zinc/39/41/13/571394113.db2.gz RLBNADZFXPFNPS-GFCCVEGCSA-N 0 0 508.374 3.201 40 0 KGABRN CCOc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222760164 571394150 /nfs/dbraw/zinc/39/41/50/571394150.db2.gz AUGYNNKSLMZFSD-FQEVSTJZSA-N 0 0 503.665 3.492 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222760186 571394132 /nfs/dbraw/zinc/39/41/32/571394132.db2.gz RLBNADZFXPFNPS-LBPRGKRZSA-N 0 0 508.374 3.201 40 0 KGABRN CCOc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000222760251 571394130 /nfs/dbraw/zinc/39/41/30/571394130.db2.gz UMQCLVTZNGPDEW-FQEVSTJZSA-N 0 0 503.665 3.492 40 0 KGABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222760275 571394107 /nfs/dbraw/zinc/39/41/07/571394107.db2.gz LSMBQPXBQCMNFD-MHZLTWQESA-N 0 0 551.665 3.419 40 0 KGABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222760337 571394076 /nfs/dbraw/zinc/39/40/76/571394076.db2.gz LSMBQPXBQCMNFD-HHHXNRCGSA-N 0 0 551.665 3.419 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c(OC)c1 ZINC000222760345 571394062 /nfs/dbraw/zinc/39/40/62/571394062.db2.gz QDOYQZHYDXLMFT-IBGZPJMESA-N 0 0 519.664 3.110 40 0 KGABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222760418 571394153 /nfs/dbraw/zinc/39/41/53/571394153.db2.gz YGWTZPYIOWHLEH-NDEPHWFRSA-N 0 0 565.692 3.461 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000222760437 571394126 /nfs/dbraw/zinc/39/41/26/571394126.db2.gz UJECZZJVKMJSSH-IBGZPJMESA-N 0 0 519.664 3.110 40 0 KGABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222760468 571394103 /nfs/dbraw/zinc/39/41/03/571394103.db2.gz YGWTZPYIOWHLEH-MUUNZHRXSA-N 0 0 565.692 3.461 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC ZINC000222760526 571394084 /nfs/dbraw/zinc/39/40/84/571394084.db2.gz JOIGXEIWIIPPHY-IBGZPJMESA-N 0 0 519.664 3.110 40 0 KGABRN COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222761069 571394229 /nfs/dbraw/zinc/39/42/29/571394229.db2.gz DWIFCCOAZCFGQU-FQEVSTJZSA-N 0 0 503.665 3.410 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222761547 571394199 /nfs/dbraw/zinc/39/41/99/571394199.db2.gz KNQYKLQFPMNFSD-OAHLLOKOSA-N 0 0 544.457 3.432 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222761607 571394325 /nfs/dbraw/zinc/39/43/25/571394325.db2.gz KNQYKLQFPMNFSD-HNNXBMFYSA-N 0 0 544.457 3.432 40 0 KGABRN CCS(=O)(=O)N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC)c1ccc2c(c1)OCO2 ZINC000222763180 571394517 /nfs/dbraw/zinc/39/45/17/571394517.db2.gz POEPUDKNMXOLMX-AWEZNQCLSA-N 0 0 530.430 3.042 40 0 KGABRN CCS(=O)(=O)N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC)c1ccc2c(c1)OCCO2 ZINC000222763268 571394530 /nfs/dbraw/zinc/39/45/30/571394530.db2.gz MWVHMFAHULJBQU-HNNXBMFYSA-N 0 0 544.457 3.084 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000222763373 571394569 /nfs/dbraw/zinc/39/45/69/571394569.db2.gz QLNBROMOCAYUPT-QGZVFWFLSA-N 0 0 529.490 3.386 40 0 KGABRN COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2C)c2ccccc2O1 ZINC000222763413 571394567 /nfs/dbraw/zinc/39/45/67/571394567.db2.gz SDOISCOMYKAPHE-DEOSSOPVSA-N 0 0 510.568 3.450 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000222763432 571394539 /nfs/dbraw/zinc/39/45/39/571394539.db2.gz QLNBROMOCAYUPT-KRWDZBQOSA-N 0 0 529.490 3.386 40 0 KGABRN COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2C)c2ccccc2O1 ZINC000222763470 571394523 /nfs/dbraw/zinc/39/45/23/571394523.db2.gz SDOISCOMYKAPHE-XMMPIXPASA-N 0 0 510.568 3.450 40 0 KGABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2C)c1 ZINC000222764887 571394784 /nfs/dbraw/zinc/39/47/84/571394784.db2.gz NPRGICRUSLTBFT-UHFFFAOYSA-N 0 0 517.629 3.338 40 0 KGABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000222766754 571394905 /nfs/dbraw/zinc/39/49/05/571394905.db2.gz BEXMKMLNHLWCKE-IBGZPJMESA-N 0 0 501.649 3.296 40 0 KGABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C ZINC000222768149 571395128 /nfs/dbraw/zinc/39/51/28/571395128.db2.gz JDLCOTNNGMOJBP-UHFFFAOYSA-N 0 0 523.677 3.182 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222769447 571395220 /nfs/dbraw/zinc/39/52/20/571395220.db2.gz BACNODVSGCSXJF-CQSZACIVSA-N 0 0 512.415 3.081 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222769510 571395266 /nfs/dbraw/zinc/39/52/66/571395266.db2.gz BACNODVSGCSXJF-AWEZNQCLSA-N 0 0 512.415 3.081 40 0 KGABRN Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222770182 571395335 /nfs/dbraw/zinc/39/53/35/571395335.db2.gz PLKZYOSLRWSYRB-SANMLTNESA-N 0 0 537.638 3.171 40 0 KGABRN Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222770233 571395381 /nfs/dbraw/zinc/39/53/81/571395381.db2.gz PLKZYOSLRWSYRB-AREMUKBSSA-N 0 0 537.638 3.171 40 0 KGABRN Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222770320 571395363 /nfs/dbraw/zinc/39/53/63/571395363.db2.gz YSDZRSSGZXVHPE-MHZLTWQESA-N 0 0 551.665 3.214 40 0 KGABRN Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222770377 571395369 /nfs/dbraw/zinc/39/53/69/571395369.db2.gz YSDZRSSGZXVHPE-HHHXNRCGSA-N 0 0 551.665 3.214 40 0 KGABRN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000222770615 571395462 /nfs/dbraw/zinc/39/54/62/571395462.db2.gz VAMCAFIPUYBZIB-IBGZPJMESA-N 0 0 517.648 3.212 40 0 KGABRN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000222770707 571395501 /nfs/dbraw/zinc/39/55/01/571395501.db2.gz MBXWZKUJIHNTPN-FQEVSTJZSA-N 0 0 531.675 3.254 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000222770798 571395500 /nfs/dbraw/zinc/39/55/00/571395500.db2.gz QZIXEPRLDTVIDN-CYBMUJFWSA-N 0 0 506.839 3.431 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000222770872 571395449 /nfs/dbraw/zinc/39/54/49/571395449.db2.gz QZIXEPRLDTVIDN-ZDUSSCGKSA-N 0 0 506.839 3.431 40 0 KGABRN Cc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222770885 571395416 /nfs/dbraw/zinc/39/54/16/571395416.db2.gz BHBNQNNJKGGTQT-IBGZPJMESA-N 0 0 506.644 3.079 40 0 KGABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222771857 571395524 /nfs/dbraw/zinc/39/55/24/571395524.db2.gz IXBFFZGIFHCFIT-RUZDIDTESA-N 0 0 551.640 3.383 40 0 KGABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222771922 571395552 /nfs/dbraw/zinc/39/55/52/571395552.db2.gz IXBFFZGIFHCFIT-VWLOTQADSA-N 0 0 551.640 3.383 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222773371 571395758 /nfs/dbraw/zinc/39/57/58/571395758.db2.gz FETHFQLBDVTLPB-MRXNPFEDSA-N 0 0 558.484 3.474 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222773431 571395782 /nfs/dbraw/zinc/39/57/82/571395782.db2.gz FETHFQLBDVTLPB-INIZCTEOSA-N 0 0 558.484 3.474 40 0 KGABRN Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222773459 571395785 /nfs/dbraw/zinc/39/57/85/571395785.db2.gz MUIAFLIUGXDZPA-MHZLTWQESA-N 0 0 549.649 3.269 40 0 KGABRN Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222773506 571395813 /nfs/dbraw/zinc/39/58/13/571395813.db2.gz MUIAFLIUGXDZPA-HHHXNRCGSA-N 0 0 549.649 3.269 40 0 KGABRN Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222773584 571395821 /nfs/dbraw/zinc/39/58/21/571395821.db2.gz VNTNKQCLZIZJFL-NDEPHWFRSA-N 0 0 563.676 3.311 40 0 KGABRN Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222773639 571395777 /nfs/dbraw/zinc/39/57/77/571395777.db2.gz VNTNKQCLZIZJFL-MUUNZHRXSA-N 0 0 563.676 3.311 40 0 KGABRN Cc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222775319 571396043 /nfs/dbraw/zinc/39/60/43/571396043.db2.gz IOSLFUFESSTZNY-IBGZPJMESA-N 0 0 506.644 3.079 40 0 KGABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222776731 571396110 /nfs/dbraw/zinc/39/61/10/571396110.db2.gz VWPZGUUBGIOYJX-HXUWFJFHSA-N 0 0 552.093 3.073 40 0 KGABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222776797 571396143 /nfs/dbraw/zinc/39/61/43/571396143.db2.gz VWPZGUUBGIOYJX-FQEVSTJZSA-N 0 0 552.093 3.073 40 0 KGABRN C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222777907 571396249 /nfs/dbraw/zinc/39/62/49/571396249.db2.gz RWLUSHHDIBERET-QFIPXVFZSA-N 0 0 586.110 3.473 40 0 KGABRN C[C@H](C(=O)NCc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222777971 571396285 /nfs/dbraw/zinc/39/62/85/571396285.db2.gz RWLUSHHDIBERET-JOCHJYFZSA-N 0 0 586.110 3.473 40 0 KGABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C ZINC000222778043 571396279 /nfs/dbraw/zinc/39/62/79/571396279.db2.gz QCBRUCQVAKBZQG-UHFFFAOYSA-N 0 0 531.656 3.050 40 0 KGABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222778305 571396421 /nfs/dbraw/zinc/39/64/21/571396421.db2.gz ZRXUTNJSCVUKKQ-IBGZPJMESA-N 0 0 526.442 3.470 40 0 KGABRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222778370 571396413 /nfs/dbraw/zinc/39/64/13/571396413.db2.gz ZRXUTNJSCVUKKQ-LJQANCHMSA-N 0 0 526.442 3.470 40 0 KGABRN COc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(Cl)cc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000222778634 571396374 /nfs/dbraw/zinc/39/63/74/571396374.db2.gz FYZDIQFEVWDRMA-JOCHJYFZSA-N 0 0 616.136 3.482 40 0 KGABRN COc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(Cl)cc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000222778699 571396390 /nfs/dbraw/zinc/39/63/90/571396390.db2.gz FYZDIQFEVWDRMA-QFIPXVFZSA-N 0 0 616.136 3.482 40 0 KGABRN COC(=O)CSc1nnc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)s1 ZINC000222778893 571396503 /nfs/dbraw/zinc/39/65/03/571396503.db2.gz UWKJMKNMWMLPGA-UHFFFAOYSA-N 0 0 557.473 3.400 40 0 KGABRN C[C@@H](C(=O)NCc1ccco1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222779187 571396561 /nfs/dbraw/zinc/39/65/61/571396561.db2.gz GXHXQWWTXVJMNF-FQEVSTJZSA-N 0 0 576.071 3.066 40 0 KGABRN C[C@H](C(=O)NCc1ccco1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222779231 571396530 /nfs/dbraw/zinc/39/65/30/571396530.db2.gz GXHXQWWTXVJMNF-HXUWFJFHSA-N 0 0 576.071 3.066 40 0 KGABRN COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2C)c2ccccc2O1 ZINC000222779960 571396683 /nfs/dbraw/zinc/39/66/83/571396683.db2.gz FQYQDFTXERPIJS-VWLOTQADSA-N 0 0 522.579 3.092 40 0 KGABRN COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2C)c2ccccc2O1 ZINC000222780033 571396676 /nfs/dbraw/zinc/39/66/76/571396676.db2.gz FQYQDFTXERPIJS-RUZDIDTESA-N 0 0 522.579 3.092 40 0 KGABRN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222780036 571396584 /nfs/dbraw/zinc/39/65/84/571396584.db2.gz WWOMEYQEVHWFDH-NRFANRHFSA-N 0 0 630.119 3.202 40 0 KGABRN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222780100 571396591 /nfs/dbraw/zinc/39/65/91/571396591.db2.gz WWOMEYQEVHWFDH-OAQYLSRUSA-N 0 0 630.119 3.202 40 0 KGABRN CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222780359 571396606 /nfs/dbraw/zinc/39/66/06/571396606.db2.gz JQXUGNBNFKSLMS-JOCHJYFZSA-N 0 0 596.146 3.088 40 0 KGABRN CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222780424 571396626 /nfs/dbraw/zinc/39/66/26/571396626.db2.gz JQXUGNBNFKSLMS-QFIPXVFZSA-N 0 0 596.146 3.088 40 0 KGABRN COc1ccccc1CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222780527 571396624 /nfs/dbraw/zinc/39/66/24/571396624.db2.gz LMYMCPQJIADQEW-JOCHJYFZSA-N 0 0 616.136 3.482 40 0 KGABRN COc1ccccc1CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222780585 571396726 /nfs/dbraw/zinc/39/67/26/571396726.db2.gz LMYMCPQJIADQEW-QFIPXVFZSA-N 0 0 616.136 3.482 40 0 KGABRN CCCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222780683 571396721 /nfs/dbraw/zinc/39/67/21/571396721.db2.gz CHYPZMJIASECAA-OAQYLSRUSA-N 0 0 566.120 3.463 40 0 KGABRN CCCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222780735 571396723 /nfs/dbraw/zinc/39/67/23/571396723.db2.gz CHYPZMJIASECAA-NRFANRHFSA-N 0 0 566.120 3.463 40 0 KGABRN CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222780820 571396701 /nfs/dbraw/zinc/39/67/01/571396701.db2.gz JMRIWBGJOIOBHH-OAQYLSRUSA-N 0 0 566.120 3.319 40 0 KGABRN CC(C)CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222780874 571396798 /nfs/dbraw/zinc/39/67/98/571396798.db2.gz JMRIWBGJOIOBHH-NRFANRHFSA-N 0 0 566.120 3.319 40 0 KGABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C ZINC000222781307 571396763 /nfs/dbraw/zinc/39/67/63/571396763.db2.gz NACDTTSMZKNASI-UHFFFAOYSA-N 0 0 543.667 3.323 40 0 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CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 ZINC000222794109 571398553 /nfs/dbraw/zinc/39/85/53/571398553.db2.gz VMOVCIGREPLGNH-WMZHIEFXSA-N 0 0 536.094 3.283 40 0 KGABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1 ZINC000222794179 571398468 /nfs/dbraw/zinc/39/84/68/571398468.db2.gz VMOVCIGREPLGNH-AUSIDOKSSA-N 0 0 536.094 3.283 40 0 KGABRN Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCCCNc1ccnc2cc(Cl)ccc21 ZINC000222795909 571398835 /nfs/dbraw/zinc/39/88/35/571398835.db2.gz NDZGSFZVZONRLP-UHFFFAOYSA-N 0 0 533.050 3.215 40 0 KGABRN COc1cccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000222797263 571398965 /nfs/dbraw/zinc/39/89/65/571398965.db2.gz ZPIGOLMXXZDPPE-KRWDZBQOSA-N 0 0 510.056 3.447 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000222797360 571398904 /nfs/dbraw/zinc/39/89/04/571398904.db2.gz QQLVKGHPDRISGF-KRWDZBQOSA-N 0 0 510.056 3.447 40 0 KGABRN COCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222797472 571399063 /nfs/dbraw/zinc/39/90/63/571399063.db2.gz GFVGZFQUZVRCCD-HXUWFJFHSA-N 0 0 536.094 3.237 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000222797504 571399053 /nfs/dbraw/zinc/39/90/53/571399053.db2.gz KQYCQBTYPQNXQT-CQSZACIVSA-N 0 0 535.972 3.297 40 0 KGABRN COCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222797531 571399000 /nfs/dbraw/zinc/39/90/00/571399000.db2.gz GFVGZFQUZVRCCD-FQEVSTJZSA-N 0 0 536.094 3.237 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000222797569 571399033 /nfs/dbraw/zinc/39/90/33/571399033.db2.gz KQYCQBTYPQNXQT-AWEZNQCLSA-N 0 0 535.972 3.297 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c(OC)c1 ZINC000222797654 571399031 /nfs/dbraw/zinc/39/90/31/571399031.db2.gz PEWWTCGPAZJQID-KRWDZBQOSA-N 0 0 540.082 3.455 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000222797741 571398988 /nfs/dbraw/zinc/39/89/88/571398988.db2.gz PFYKOYGJZZSQEX-KRWDZBQOSA-N 0 0 540.082 3.455 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC ZINC000222797823 571399037 /nfs/dbraw/zinc/39/90/37/571399037.db2.gz LFDUYYDUDGSEOU-KRWDZBQOSA-N 0 0 540.082 3.455 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000222797825 571399026 /nfs/dbraw/zinc/39/90/26/571399026.db2.gz QSMTWPDSOFDACR-HXUWFJFHSA-N 0 0 525.627 3.417 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000222797887 571399072 /nfs/dbraw/zinc/39/90/72/571399072.db2.gz QSMTWPDSOFDACR-FQEVSTJZSA-N 0 0 525.627 3.417 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000222798421 571399099 /nfs/dbraw/zinc/39/90/99/571399099.db2.gz SMJLJZYIPZEYDL-CQSZACIVSA-N 0 0 535.972 3.297 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000222798472 571399145 /nfs/dbraw/zinc/39/91/45/571399145.db2.gz SMJLJZYIPZEYDL-AWEZNQCLSA-N 0 0 535.972 3.297 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000222798852 571399117 /nfs/dbraw/zinc/39/91/17/571399117.db2.gz LVHHTBJYPKPDGV-OAQYLSRUSA-N 0 0 569.680 3.379 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000222798929 571399215 /nfs/dbraw/zinc/39/92/15/571399215.db2.gz LVHHTBJYPKPDGV-NRFANRHFSA-N 0 0 569.680 3.379 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000222799018 571399247 /nfs/dbraw/zinc/39/92/47/571399247.db2.gz SYEBGCDGRSIJQI-HXUWFJFHSA-N 0 0 525.627 3.062 40 0 KGABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2C)c1 ZINC000222799019 571399284 /nfs/dbraw/zinc/39/92/84/571399284.db2.gz LNCOFWPCFUOQTB-UHFFFAOYSA-N 0 0 503.602 3.030 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000222799081 571399245 /nfs/dbraw/zinc/39/92/45/571399245.db2.gz SYEBGCDGRSIJQI-FQEVSTJZSA-N 0 0 525.627 3.062 40 0 KGABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1C ZINC000222799105 571399256 /nfs/dbraw/zinc/39/92/56/571399256.db2.gz KZKVWPFUPUERHK-UHFFFAOYSA-N 0 0 517.629 3.372 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000222800248 571399432 /nfs/dbraw/zinc/39/94/32/571399432.db2.gz CLUMRIGWVMXFHJ-OAQYLSRUSA-N 0 0 539.654 3.371 40 0 KGABRN Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C)cc1 ZINC000222800273 571399438 /nfs/dbraw/zinc/39/94/38/571399438.db2.gz ADMISOOSHGUQSO-UHFFFAOYSA-N 0 0 552.074 3.231 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000222800318 571399457 /nfs/dbraw/zinc/39/94/57/571399457.db2.gz CLUMRIGWVMXFHJ-NRFANRHFSA-N 0 0 539.654 3.371 40 0 KGABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC)c2ccccc2)cc1 ZINC000222800566 571399436 /nfs/dbraw/zinc/39/94/36/571399436.db2.gz NTKCUECQTCVVFB-NRFANRHFSA-N 0 0 539.654 3.453 40 0 KGABRN CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000222801298 571399600 /nfs/dbraw/zinc/39/96/00/571399600.db2.gz WIYBHHOCAIUHAD-NRFANRHFSA-N 0 0 599.706 3.470 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000222802091 571399729 /nfs/dbraw/zinc/39/97/29/571399729.db2.gz PPLQAYZRXDXGHL-OAQYLSRUSA-N 0 0 539.654 3.371 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000222802161 571399713 /nfs/dbraw/zinc/39/97/13/571399713.db2.gz PPLQAYZRXDXGHL-NRFANRHFSA-N 0 0 539.654 3.371 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 ZINC000222802393 571399653 /nfs/dbraw/zinc/39/96/53/571399653.db2.gz GURNDCXEJIVOBI-HXUWFJFHSA-N 0 0 555.653 3.071 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 ZINC000222802453 571399662 /nfs/dbraw/zinc/39/96/62/571399662.db2.gz GURNDCXEJIVOBI-FQEVSTJZSA-N 0 0 555.653 3.071 40 0 KGABRN COc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222802917 571399839 /nfs/dbraw/zinc/39/98/39/571399839.db2.gz TWGADIACQNIJIC-KRWDZBQOSA-N 0 0 510.056 3.447 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000222803691 571399860 /nfs/dbraw/zinc/39/98/60/571399860.db2.gz ZIBQRKLEXGPSOQ-LJQANCHMSA-N 0 0 573.643 3.210 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000222803758 571399949 /nfs/dbraw/zinc/39/99/49/571399949.db2.gz ZIBQRKLEXGPSOQ-IBGZPJMESA-N 0 0 573.643 3.210 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000222803834 571399893 /nfs/dbraw/zinc/39/98/93/571399893.db2.gz KLLXBEAYQADZNI-HXUWFJFHSA-N 0 0 555.653 3.071 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000222803888 571399908 /nfs/dbraw/zinc/39/99/08/571399908.db2.gz KLLXBEAYQADZNI-FQEVSTJZSA-N 0 0 555.653 3.071 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000222803988 571399932 /nfs/dbraw/zinc/39/99/32/571399932.db2.gz POSCLHKUENKNRP-HXUWFJFHSA-N 0 0 615.705 3.088 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000222804045 571399910 /nfs/dbraw/zinc/39/99/10/571399910.db2.gz POSCLHKUENKNRP-FQEVSTJZSA-N 0 0 615.705 3.088 40 0 KGABRN COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2C)c2ccccc2O1 ZINC000222804450 571399977 /nfs/dbraw/zinc/39/99/77/571399977.db2.gz ILNORFKMSVBPRR-QHCPKHFHSA-N 0 0 514.531 3.281 40 0 KGABRN COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2C)c2ccccc2O1 ZINC000222804513 571399980 /nfs/dbraw/zinc/39/99/80/571399980.db2.gz ILNORFKMSVBPRR-HSZRJFAPSA-N 0 0 514.531 3.281 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000222805381 571400126 /nfs/dbraw/zinc/40/01/26/571400126.db2.gz KEMHRVVEBAOQJT-OAQYLSRUSA-N 0 0 539.654 3.204 40 0 KGABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000222805451 571400093 /nfs/dbraw/zinc/40/00/93/571400093.db2.gz KEMHRVVEBAOQJT-NRFANRHFSA-N 0 0 539.654 3.204 40 0 KGABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222805587 571400141 /nfs/dbraw/zinc/40/01/41/571400141.db2.gz NRVHWJLNJYRQHS-INIZCTEOSA-N 0 0 524.039 3.167 40 0 KGABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222805657 571400103 /nfs/dbraw/zinc/40/01/03/571400103.db2.gz NRVHWJLNJYRQHS-MRXNPFEDSA-N 0 0 524.039 3.167 40 0 KGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000222805720 571400100 /nfs/dbraw/zinc/40/01/00/571400100.db2.gz DEQZHGRQNSEJIM-LJQANCHMSA-N 0 0 513.591 3.193 40 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CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NCc2ccncc2)cc1 ZINC000222947994 571416099 /nfs/dbraw/zinc/41/60/99/571416099.db2.gz FLFXBECXOWSQRF-NRFANRHFSA-N 0 0 538.670 3.055 40 0 KGABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NCc2ccncc2)cc1 ZINC000222948049 571416085 /nfs/dbraw/zinc/41/60/85/571416085.db2.gz FLFXBECXOWSQRF-OAQYLSRUSA-N 0 0 538.670 3.055 40 0 KGABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000222948133 571416101 /nfs/dbraw/zinc/41/61/01/571416101.db2.gz SULFLBUKEYGPQL-DEOSSOPVSA-N 0 0 537.638 3.207 40 0 KGABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000222948135 571416095 /nfs/dbraw/zinc/41/60/95/571416095.db2.gz IUHRIBKWSCHYDJ-NRFANRHFSA-N 0 0 581.691 3.388 40 0 KGABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000222948185 571416103 /nfs/dbraw/zinc/41/61/03/571416103.db2.gz SULFLBUKEYGPQL-XMMPIXPASA-N 0 0 537.638 3.207 40 0 KGABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000222948193 571416110 /nfs/dbraw/zinc/41/61/10/571416110.db2.gz IUHRIBKWSCHYDJ-OAQYLSRUSA-N 0 0 581.691 3.388 40 0 KGABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NCCCOC(C)C)cc1 ZINC000222948417 571416224 /nfs/dbraw/zinc/41/62/24/571416224.db2.gz RUPBCODPCGNWIH-QFIPXVFZSA-N 0 0 547.718 3.275 40 0 KGABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NCCCOC(C)C)cc1 ZINC000222948468 571416202 /nfs/dbraw/zinc/41/62/02/571416202.db2.gz RUPBCODPCGNWIH-JOCHJYFZSA-N 0 0 547.718 3.275 40 0 KGABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000222949296 571416214 /nfs/dbraw/zinc/41/62/14/571416214.db2.gz YPXOXCWKQSDWLM-NRFANRHFSA-N 0 0 510.056 3.448 40 0 KGABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000222949362 571416322 /nfs/dbraw/zinc/41/63/22/571416322.db2.gz YPXOXCWKQSDWLM-OAQYLSRUSA-N 0 0 510.056 3.448 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222949397 571416383 /nfs/dbraw/zinc/41/63/83/571416383.db2.gz LANWTSDWEIOJFN-OAQYLSRUSA-N 0 0 515.676 3.356 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222949460 571416336 /nfs/dbraw/zinc/41/63/36/571416336.db2.gz LANWTSDWEIOJFN-NRFANRHFSA-N 0 0 515.676 3.356 40 0 KGABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000222952036 571416655 /nfs/dbraw/zinc/41/66/55/571416655.db2.gz TVSSGVGQGCJMNE-NVQXNPDNSA-N 0 0 557.713 3.125 40 0 KGABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000222952110 571416650 /nfs/dbraw/zinc/41/66/50/571416650.db2.gz TVSSGVGQGCJMNE-GJZUVCINSA-N 0 0 557.713 3.125 40 0 KGABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 ZINC000222952169 571416624 /nfs/dbraw/zinc/41/66/24/571416624.db2.gz TVSSGVGQGCJMNE-BKMJKUGQSA-N 0 0 557.713 3.125 40 0 KGABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1 ZINC000222952232 571416665 /nfs/dbraw/zinc/41/66/65/571416665.db2.gz TVSSGVGQGCJMNE-ATIYNZHBSA-N 0 0 557.713 3.125 40 0 KGABRN CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222952868 571416755 /nfs/dbraw/zinc/41/67/55/571416755.db2.gz NGKQISHJYFISSI-HSZRJFAPSA-N 0 0 559.729 3.372 40 0 KGABRN CCOCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222952925 571416706 /nfs/dbraw/zinc/41/67/06/571416706.db2.gz NGKQISHJYFISSI-QHCPKHFHSA-N 0 0 559.729 3.372 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000222954488 571416907 /nfs/dbraw/zinc/41/69/07/571416907.db2.gz HKCJJWYECJYZJX-OAHLLOKOSA-N 0 0 503.518 3.164 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000222954561 571416914 /nfs/dbraw/zinc/41/69/14/571416914.db2.gz HKCJJWYECJYZJX-HNNXBMFYSA-N 0 0 503.518 3.164 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000222954651 571416895 /nfs/dbraw/zinc/41/68/95/571416895.db2.gz BZEOCGCELPQYLH-CQSZACIVSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000222954716 571416909 /nfs/dbraw/zinc/41/69/09/571416909.db2.gz BZEOCGCELPQYLH-AWEZNQCLSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000222957134 571417165 /nfs/dbraw/zinc/41/71/65/571417165.db2.gz AVLRDBHJUBNQCX-CQSZACIVSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000222957196 571417131 /nfs/dbraw/zinc/41/71/31/571417131.db2.gz AVLRDBHJUBNQCX-AWEZNQCLSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000222957280 571417105 /nfs/dbraw/zinc/41/71/05/571417105.db2.gz GOCKXBQUXQIITD-CQSZACIVSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000222957329 571417146 /nfs/dbraw/zinc/41/71/46/571417146.db2.gz GOCKXBQUXQIITD-AWEZNQCLSA-N 0 0 504.411 3.452 40 0 KGABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CCN(c2ccccc2OC)CC1 ZINC000222959519 571417463 /nfs/dbraw/zinc/41/74/63/571417463.db2.gz UHAKWXKHCMVWGG-UHFFFAOYSA-N 0 0 501.649 3.160 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000222960993 571417556 /nfs/dbraw/zinc/41/75/56/571417556.db2.gz MEANTBRORIOHSO-CQSZACIVSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000222961052 571417513 /nfs/dbraw/zinc/41/75/13/571417513.db2.gz MEANTBRORIOHSO-AWEZNQCLSA-N 0 0 504.411 3.452 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222962663 571417778 /nfs/dbraw/zinc/41/77/78/571417778.db2.gz TWDZAFANOHMYQO-LJQANCHMSA-N 0 0 501.649 3.012 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222962730 571417713 /nfs/dbraw/zinc/41/77/13/571417713.db2.gz TWDZAFANOHMYQO-IBGZPJMESA-N 0 0 501.649 3.012 40 0 KGABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222962827 571417733 /nfs/dbraw/zinc/41/77/33/571417733.db2.gz BRMYUWITUSYNNL-HXUWFJFHSA-N 0 0 515.676 3.402 40 0 KGABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222962898 571417711 /nfs/dbraw/zinc/41/77/11/571417711.db2.gz BRMYUWITUSYNNL-FQEVSTJZSA-N 0 0 515.676 3.402 40 0 KGABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000222962986 571417776 /nfs/dbraw/zinc/41/77/76/571417776.db2.gz KFIIHGJNJXPJMW-FQEVSTJZSA-N 0 0 515.676 3.258 40 0 KGABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000222963051 571417769 /nfs/dbraw/zinc/41/77/69/571417769.db2.gz KFIIHGJNJXPJMW-HXUWFJFHSA-N 0 0 515.676 3.258 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000222963483 571417836 /nfs/dbraw/zinc/41/78/36/571417836.db2.gz HVFLCHKTLWJNNP-LJQANCHMSA-N 0 0 573.618 3.485 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000222963541 571417884 /nfs/dbraw/zinc/41/78/84/571417884.db2.gz HVFLCHKTLWJNNP-IBGZPJMESA-N 0 0 573.618 3.485 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000222963619 571417844 /nfs/dbraw/zinc/41/78/44/571417844.db2.gz DCCVZUSAKNHCFD-MRXNPFEDSA-N 0 0 528.444 3.216 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000222963678 571417854 /nfs/dbraw/zinc/41/78/54/571417854.db2.gz DCCVZUSAKNHCFD-INIZCTEOSA-N 0 0 528.444 3.216 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000222964056 571417889 /nfs/dbraw/zinc/41/78/89/571417889.db2.gz HCOBVXSUUIUQCH-CQSZACIVSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000222964117 571417863 /nfs/dbraw/zinc/41/78/63/571417863.db2.gz HCOBVXSUUIUQCH-AWEZNQCLSA-N 0 0 504.411 3.452 40 0 KGABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222965151 571418028 /nfs/dbraw/zinc/41/80/28/571418028.db2.gz LUCUDZCKYXEMQW-AWEZNQCLSA-N 0 0 526.442 3.470 40 0 KGABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222965215 571418075 /nfs/dbraw/zinc/41/80/75/571418075.db2.gz LUCUDZCKYXEMQW-CQSZACIVSA-N 0 0 526.442 3.470 40 0 KGABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C)C(=O)NCc2ccco2)cc1 ZINC000222965258 571418035 /nfs/dbraw/zinc/41/80/35/571418035.db2.gz GITWGGFDPNEAKW-FQEVSTJZSA-N 0 0 539.654 3.395 40 0 KGABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C)C(=O)NCc2ccco2)cc1 ZINC000222965323 571418015 /nfs/dbraw/zinc/41/80/15/571418015.db2.gz GITWGGFDPNEAKW-HXUWFJFHSA-N 0 0 539.654 3.395 40 0 KGABRN COC(=O)CSc1nnc(NC(=O)[C@@H](C)N(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)s1 ZINC000222965451 571418025 /nfs/dbraw/zinc/41/80/25/571418025.db2.gz LHVMPLXZUBOTPJ-MRVPVSSYSA-N 0 0 532.975 3.269 40 0 KGABRN COC(=O)CSc1nnc(NC(=O)[C@H](C)N(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)s1 ZINC000222965516 571418042 /nfs/dbraw/zinc/41/80/42/571418042.db2.gz LHVMPLXZUBOTPJ-QMMMGPOBSA-N 0 0 532.975 3.269 40 0 KGABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222965652 571418023 /nfs/dbraw/zinc/41/80/23/571418023.db2.gz HEKJDGCZHNDUPJ-GOSISDBHSA-N 0 0 510.056 3.448 40 0 KGABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C)C(=O)NCc2ccccn2)cc1 ZINC000222965685 571418032 /nfs/dbraw/zinc/41/80/32/571418032.db2.gz WBJSFTGRTGXTDO-NRFANRHFSA-N 0 0 550.681 3.197 40 0 KGABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000222965715 571418019 /nfs/dbraw/zinc/41/80/19/571418019.db2.gz HEKJDGCZHNDUPJ-SFHVURJKSA-N 0 0 510.056 3.448 40 0 KGABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C)C(=O)NCc2ccccn2)cc1 ZINC000222965735 571418033 /nfs/dbraw/zinc/41/80/33/571418033.db2.gz WBJSFTGRTGXTDO-OAQYLSRUSA-N 0 0 550.681 3.197 40 0 KGABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C)C(=O)NCc2cccnc2)cc1 ZINC000222965830 571418150 /nfs/dbraw/zinc/41/81/50/571418150.db2.gz JRRWSWSUVZQXHZ-NRFANRHFSA-N 0 0 550.681 3.197 40 0 KGABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C)C(=O)NCc2cccnc2)cc1 ZINC000222965892 571418118 /nfs/dbraw/zinc/41/81/18/571418118.db2.gz JRRWSWSUVZQXHZ-OAQYLSRUSA-N 0 0 550.681 3.197 40 0 KGABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C)C(=O)NCc2ccncc2)cc1 ZINC000222965984 571418149 /nfs/dbraw/zinc/41/81/49/571418149.db2.gz MBFKBPVMGWLKHU-NRFANRHFSA-N 0 0 550.681 3.197 40 0 KGABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C)C(=O)NCc2ccncc2)cc1 ZINC000222966040 571418166 /nfs/dbraw/zinc/41/81/66/571418166.db2.gz MBFKBPVMGWLKHU-OAQYLSRUSA-N 0 0 550.681 3.197 40 0 KGABRN CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222966296 571418164 /nfs/dbraw/zinc/41/81/64/571418164.db2.gz GAUKYYDLKPMDOG-OAQYLSRUSA-N 0 0 545.702 3.029 40 0 KGABRN CCOCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222966348 571418116 /nfs/dbraw/zinc/41/81/16/571418116.db2.gz GAUKYYDLKPMDOG-NRFANRHFSA-N 0 0 545.702 3.029 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000222966375 571418145 /nfs/dbraw/zinc/41/81/45/571418145.db2.gz ZEIHJVZNOXYIRU-HXUWFJFHSA-N 0 0 555.628 3.346 40 0 KGABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C)C(=O)NCCCOC(C)C)cc1 ZINC000222966425 571418120 /nfs/dbraw/zinc/41/81/20/571418120.db2.gz WMSDTXNRSQNYIS-QFIPXVFZSA-N 0 0 559.729 3.417 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000222966438 571418158 /nfs/dbraw/zinc/41/81/58/571418158.db2.gz ZEIHJVZNOXYIRU-FQEVSTJZSA-N 0 0 555.628 3.346 40 0 KGABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C)C(=O)NCCCOC(C)C)cc1 ZINC000222966488 571418134 /nfs/dbraw/zinc/41/81/34/571418134.db2.gz WMSDTXNRSQNYIS-JOCHJYFZSA-N 0 0 559.729 3.417 40 0 KGABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000222966567 571418136 /nfs/dbraw/zinc/41/81/36/571418136.db2.gz UIKRQJXCXXHJFE-GOSISDBHSA-N 0 0 510.056 3.448 40 0 KGABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000222966632 571418167 /nfs/dbraw/zinc/41/81/67/571418167.db2.gz UIKRQJXCXXHJFE-SFHVURJKSA-N 0 0 510.056 3.448 40 0 KGABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000222970439 571418484 /nfs/dbraw/zinc/41/84/84/571418484.db2.gz XNQZHNOQFGDEFQ-GOSISDBHSA-N 0 0 571.481 3.391 40 0 KGABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000222970503 193929951 /nfs/dbraw/zinc/92/99/51/193929951.db2.gz XNQZHNOQFGDEFQ-SFHVURJKSA-N 0 0 571.481 3.391 40 0 KGABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222978617 571419102 /nfs/dbraw/zinc/41/91/02/571419102.db2.gz HTQKJEKXQLRZPS-HXUWFJFHSA-N 0 0 517.648 3.295 40 0 KGABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222978691 193932660 /nfs/dbraw/zinc/93/26/60/193932660.db2.gz HTQKJEKXQLRZPS-FQEVSTJZSA-N 0 0 517.648 3.295 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O ZINC000222979207 571419110 /nfs/dbraw/zinc/41/91/10/571419110.db2.gz VHTXVPHLFAIVJM-LJQANCHMSA-N 0 0 507.628 3.324 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O ZINC000222979269 193932501 /nfs/dbraw/zinc/93/25/01/193932501.db2.gz VHTXVPHLFAIVJM-IBGZPJMESA-N 0 0 507.628 3.324 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000222979363 571419209 /nfs/dbraw/zinc/41/92/09/571419209.db2.gz XOVZXVQOAJPNEH-LJQANCHMSA-N 0 0 507.628 3.324 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000222979418 571419237 /nfs/dbraw/zinc/41/92/37/571419237.db2.gz XOVZXVQOAJPNEH-IBGZPJMESA-N 0 0 507.628 3.324 40 0 KGABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000222980557 571419258 /nfs/dbraw/zinc/41/92/58/571419258.db2.gz AWZCQFBXVOULIT-JOCHJYFZSA-N 0 0 502.681 3.250 40 0 KGABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000222980620 571419341 /nfs/dbraw/zinc/41/93/41/571419341.db2.gz AWZCQFBXVOULIT-QFIPXVFZSA-N 0 0 502.681 3.250 40 0 KGABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000222982297 571419309 /nfs/dbraw/zinc/41/93/09/571419309.db2.gz ZCFBTWBEBBTENB-FQEVSTJZSA-N 0 0 510.454 3.077 40 0 KGABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000222982366 571419243 /nfs/dbraw/zinc/41/92/43/571419243.db2.gz ZCFBTWBEBBTENB-HXUWFJFHSA-N 0 0 510.454 3.077 40 0 KGABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000222982451 571419316 /nfs/dbraw/zinc/41/93/16/571419316.db2.gz RJNACNHGLBUFIU-FQEVSTJZSA-N 0 0 510.454 3.077 40 0 KGABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000222982515 193933390 /nfs/dbraw/zinc/93/33/90/193933390.db2.gz RJNACNHGLBUFIU-HXUWFJFHSA-N 0 0 510.454 3.077 40 0 KGABRN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4Cl)s3)CC2)cc1 ZINC000222982986 571419261 /nfs/dbraw/zinc/41/92/61/571419261.db2.gz ZSTRWHLNKJHLDF-UHFFFAOYSA-N 0 0 576.509 3.101 40 0 KGABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000222985527 571419373 /nfs/dbraw/zinc/41/93/73/571419373.db2.gz SIHZCWCZFHGBQX-IBGZPJMESA-N 0 0 510.454 3.077 40 0 KGABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000222985581 571419430 /nfs/dbraw/zinc/41/94/30/571419430.db2.gz SIHZCWCZFHGBQX-LJQANCHMSA-N 0 0 510.454 3.077 40 0 KGABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222990669 571419744 /nfs/dbraw/zinc/41/97/44/571419744.db2.gz JPYHGAHIPAUVTM-OAQYLSRUSA-N 0 0 531.675 3.338 40 0 KGABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222990739 571419858 /nfs/dbraw/zinc/41/98/58/571419858.db2.gz JPYHGAHIPAUVTM-NRFANRHFSA-N 0 0 531.675 3.338 40 0 KGABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000222992111 193935787 /nfs/dbraw/zinc/93/57/87/193935787.db2.gz FPTLDZJKBUFEGF-NRFANRHFSA-N 0 0 524.481 3.385 40 0 KGABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000222992169 571419940 /nfs/dbraw/zinc/41/99/40/571419940.db2.gz FPTLDZJKBUFEGF-OAQYLSRUSA-N 0 0 524.481 3.385 40 0 KGABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000222992206 193936072 /nfs/dbraw/zinc/93/60/72/193936072.db2.gz RSODPSLEOGJDEI-UHFFFAOYSA-N 0 0 504.649 3.185 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223000150 193938475 /nfs/dbraw/zinc/93/84/75/193938475.db2.gz FUYZSTDRSAKFOU-QGZVFWFLSA-N 0 0 510.454 3.077 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223000218 571420488 /nfs/dbraw/zinc/42/04/88/571420488.db2.gz FUYZSTDRSAKFOU-KRWDZBQOSA-N 0 0 510.454 3.077 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223000292 193938395 /nfs/dbraw/zinc/93/83/95/193938395.db2.gz ZYVPQKADEUAHFC-QGZVFWFLSA-N 0 0 510.454 3.077 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223000354 571420517 /nfs/dbraw/zinc/42/05/17/571420517.db2.gz ZYVPQKADEUAHFC-KRWDZBQOSA-N 0 0 510.454 3.077 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223000440 571420492 /nfs/dbraw/zinc/42/04/92/571420492.db2.gz XTQNULVPDQWKEA-QGZVFWFLSA-N 0 0 510.454 3.077 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223000499 571420491 /nfs/dbraw/zinc/42/04/91/571420491.db2.gz XTQNULVPDQWKEA-KRWDZBQOSA-N 0 0 510.454 3.077 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223000589 571420490 /nfs/dbraw/zinc/42/04/90/571420490.db2.gz VYVKLKLUCHNAGF-GOSISDBHSA-N 0 0 524.481 3.385 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223000656 571420532 /nfs/dbraw/zinc/42/05/32/571420532.db2.gz VYVKLKLUCHNAGF-SFHVURJKSA-N 0 0 524.481 3.385 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223000731 571420507 /nfs/dbraw/zinc/42/05/07/571420507.db2.gz GTDAPGUSWVWZND-GOSISDBHSA-N 0 0 524.481 3.385 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223000796 571420509 /nfs/dbraw/zinc/42/05/09/571420509.db2.gz GTDAPGUSWVWZND-SFHVURJKSA-N 0 0 524.481 3.385 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223000878 193938813 /nfs/dbraw/zinc/93/88/13/193938813.db2.gz ODAOHFMCZXSZJB-GOSISDBHSA-N 0 0 524.481 3.385 40 0 KGABRN COC(=O)CSc1nnc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)s1 ZINC000223000896 571420634 /nfs/dbraw/zinc/42/06/34/571420634.db2.gz MQJFUXNQBFQDRH-UHFFFAOYSA-N 0 0 506.631 3.254 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223000938 571420607 /nfs/dbraw/zinc/42/06/07/571420607.db2.gz ODAOHFMCZXSZJB-SFHVURJKSA-N 0 0 524.481 3.385 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223001020 571420614 /nfs/dbraw/zinc/42/06/14/571420614.db2.gz UZIVERIIXFVJRK-GOSISDBHSA-N 0 0 524.481 3.385 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223001077 571420608 /nfs/dbraw/zinc/42/06/08/571420608.db2.gz UZIVERIIXFVJRK-SFHVURJKSA-N 0 0 524.481 3.385 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223001159 571420641 /nfs/dbraw/zinc/42/06/41/571420641.db2.gz VKOJIEYLVOMTJL-QGZVFWFLSA-N 0 0 524.481 3.331 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223001216 193938884 /nfs/dbraw/zinc/93/88/84/193938884.db2.gz VKOJIEYLVOMTJL-KRWDZBQOSA-N 0 0 524.481 3.331 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223001455 571420595 /nfs/dbraw/zinc/42/05/95/571420595.db2.gz KTKVWMAGXXASRF-OAHLLOKOSA-N 0 0 530.872 3.422 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223001509 571420631 /nfs/dbraw/zinc/42/06/31/571420631.db2.gz KTKVWMAGXXASRF-HNNXBMFYSA-N 0 0 530.872 3.422 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223001599 571420636 /nfs/dbraw/zinc/42/06/36/571420636.db2.gz SOHIIPRGEGDTLI-OAHLLOKOSA-N 0 0 530.872 3.422 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223001670 571420599 /nfs/dbraw/zinc/42/05/99/571420599.db2.gz SOHIIPRGEGDTLI-HNNXBMFYSA-N 0 0 530.872 3.422 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223001753 571420590 /nfs/dbraw/zinc/42/05/90/571420590.db2.gz PFGVGPHWLHRRAK-OAHLLOKOSA-N 0 0 530.872 3.422 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223001809 571420602 /nfs/dbraw/zinc/42/06/02/571420602.db2.gz PFGVGPHWLHRRAK-HNNXBMFYSA-N 0 0 530.872 3.422 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223002472 571420721 /nfs/dbraw/zinc/42/07/21/571420721.db2.gz UZZPSZGAGUSBJM-QGZVFWFLSA-N 0 0 540.480 3.167 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223002539 571420699 /nfs/dbraw/zinc/42/06/99/571420699.db2.gz UZZPSZGAGUSBJM-KRWDZBQOSA-N 0 0 540.480 3.167 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223002616 571420731 /nfs/dbraw/zinc/42/07/31/571420731.db2.gz RZAJTWACLXWWAH-QGZVFWFLSA-N 0 0 540.480 3.167 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223002685 571420715 /nfs/dbraw/zinc/42/07/15/571420715.db2.gz RZAJTWACLXWWAH-KRWDZBQOSA-N 0 0 540.480 3.167 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223003856 571420842 /nfs/dbraw/zinc/42/08/42/571420842.db2.gz AFWSYKRHXWCQCT-OAHLLOKOSA-N 0 0 560.898 3.431 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223003913 571420797 /nfs/dbraw/zinc/42/07/97/571420797.db2.gz AFWSYKRHXWCQCT-HNNXBMFYSA-N 0 0 560.898 3.431 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223004030 571420793 /nfs/dbraw/zinc/42/07/93/571420793.db2.gz OACFTIWQNCKFIY-QGZVFWFLSA-N 0 0 540.480 3.086 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223004097 571420812 /nfs/dbraw/zinc/42/08/12/571420812.db2.gz OACFTIWQNCKFIY-KRWDZBQOSA-N 0 0 540.480 3.086 40 0 KGABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223004271 571420923 /nfs/dbraw/zinc/42/09/23/571420923.db2.gz MFYZTMIIHBVQAC-GDLZYMKVSA-N 0 0 579.719 3.253 40 0 KGABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223004335 193939571 /nfs/dbraw/zinc/93/95/71/193939571.db2.gz MFYZTMIIHBVQAC-LJAQVGFWSA-N 0 0 579.719 3.253 40 0 KGABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223004574 571420943 /nfs/dbraw/zinc/42/09/43/571420943.db2.gz LEQKCVYOJOTZBY-SSEXGKCCSA-N 0 0 593.746 3.499 40 0 KGABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223004630 571420894 /nfs/dbraw/zinc/42/08/94/571420894.db2.gz LEQKCVYOJOTZBY-PMERELPUSA-N 0 0 593.746 3.499 40 0 KGABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223004781 571420891 /nfs/dbraw/zinc/42/08/91/571420891.db2.gz YRLUIMUIODOZNK-AWEZNQCLSA-N 0 0 526.442 3.470 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223004798 193940094 /nfs/dbraw/zinc/94/00/94/193940094.db2.gz ZMUSPPXHUYZXFC-OAHLLOKOSA-N 0 0 560.898 3.431 40 0 KGABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223004850 571420896 /nfs/dbraw/zinc/42/08/96/571420896.db2.gz YRLUIMUIODOZNK-CQSZACIVSA-N 0 0 526.442 3.470 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223004851 571420906 /nfs/dbraw/zinc/42/09/06/571420906.db2.gz ZMUSPPXHUYZXFC-HNNXBMFYSA-N 0 0 560.898 3.431 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223005087 571420899 /nfs/dbraw/zinc/42/08/99/571420899.db2.gz YPMXUMBTABYJEM-GOSISDBHSA-N 0 0 524.481 3.385 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223005144 193939935 /nfs/dbraw/zinc/93/99/35/193939935.db2.gz YPMXUMBTABYJEM-SFHVURJKSA-N 0 0 524.481 3.385 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223005672 571421007 /nfs/dbraw/zinc/42/10/07/571421007.db2.gz DRROPPIYMHUNJV-GOSISDBHSA-N 0 0 524.481 3.385 40 0 KGABRN COC(=O)CSc1nnc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)s1 ZINC000223005708 571420964 /nfs/dbraw/zinc/42/09/64/571420964.db2.gz HSEZABWISZYFQS-UHFFFAOYSA-N 0 0 557.473 3.400 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223005733 193940316 /nfs/dbraw/zinc/94/03/16/193940316.db2.gz DRROPPIYMHUNJV-SFHVURJKSA-N 0 0 524.481 3.385 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000223007122 571421097 /nfs/dbraw/zinc/42/10/97/571421097.db2.gz BNIUMQJXRFBQLY-SMCANUKXSA-N 0 0 621.756 3.022 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000223007190 193941016 /nfs/dbraw/zinc/94/10/16/193941016.db2.gz BNIUMQJXRFBQLY-IGYGKHONSA-N 0 0 621.756 3.022 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000223007251 571421109 /nfs/dbraw/zinc/42/11/09/571421109.db2.gz BNIUMQJXRFBQLY-VEEOACQBSA-N 0 0 621.756 3.022 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000223007312 571421078 /nfs/dbraw/zinc/42/10/78/571421078.db2.gz BNIUMQJXRFBQLY-BVRKHOPBSA-N 0 0 621.756 3.022 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1 ZINC000223007397 193940915 /nfs/dbraw/zinc/94/09/15/193940915.db2.gz SOERGGLHTLQQGX-YTTGMZPUSA-N 0 0 628.751 3.438 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccn1 ZINC000223007452 193940858 /nfs/dbraw/zinc/94/08/58/193940858.db2.gz SOERGGLHTLQQGX-JGCGQSQUSA-N 0 0 628.751 3.438 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1 ZINC000223007529 193941281 /nfs/dbraw/zinc/94/12/81/193941281.db2.gz WWIWMYGZYWKBSZ-YTTGMZPUSA-N 0 0 628.751 3.438 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1cccnc1 ZINC000223007596 571421234 /nfs/dbraw/zinc/42/12/34/571421234.db2.gz WWIWMYGZYWKBSZ-JGCGQSQUSA-N 0 0 628.751 3.438 40 0 KGABRN CCOc1ccccc1N(CCCC(=O)N(Cc1ccccc1C)[C@@H](CC)C(=O)NC)S(C)(=O)=O ZINC000223007644 571421240 /nfs/dbraw/zinc/42/12/40/571421240.db2.gz YOXUVWBZACGSDH-QFIPXVFZSA-N 0 0 503.665 3.493 40 0 KGABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1 ZINC000223007685 571421222 /nfs/dbraw/zinc/42/12/22/571421222.db2.gz INRIBFIANUVARZ-YTTGMZPUSA-N 0 0 628.751 3.438 40 0 KGABRN CCOc1ccc(N(CCCC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)NC)S(C)(=O)=O)cc1 ZINC000223007734 193941306 /nfs/dbraw/zinc/94/13/06/193941306.db2.gz 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/nfs/dbraw/zinc/42/11/97/571421197.db2.gz WTOKHVZDEUBJOQ-HKBQPEDESA-N 0 0 623.772 3.269 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000223008826 571421352 /nfs/dbraw/zinc/42/13/52/571421352.db2.gz CLHYHJHNLJTISZ-OAHLLOKOSA-N 0 0 622.323 3.373 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000223008888 193941684 /nfs/dbraw/zinc/94/16/84/193941684.db2.gz CLHYHJHNLJTISZ-HNNXBMFYSA-N 0 0 622.323 3.373 40 0 KGABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223009027 571421307 /nfs/dbraw/zinc/42/13/07/571421307.db2.gz COERNOXCOKOFLH-AREMUKBSSA-N 0 0 507.656 3.224 40 0 KGABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223009099 571421280 /nfs/dbraw/zinc/42/12/80/571421280.db2.gz COERNOXCOKOFLH-SANMLTNESA-N 0 0 507.656 3.224 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223009441 571421309 /nfs/dbraw/zinc/42/13/09/571421309.db2.gz OCIPRUXCEQZNEX-QGZVFWFLSA-N 0 0 524.481 3.331 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223009505 571421303 /nfs/dbraw/zinc/42/13/03/571421303.db2.gz OCIPRUXCEQZNEX-KRWDZBQOSA-N 0 0 524.481 3.331 40 0 KGABRN COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223010211 571421390 /nfs/dbraw/zinc/42/13/90/571421390.db2.gz VVFQCVGZGFCNMT-MUUNZHRXSA-N 0 0 551.709 3.241 40 0 KGABRN COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223010294 571421376 /nfs/dbraw/zinc/42/13/76/571421376.db2.gz VVFQCVGZGFCNMT-NDEPHWFRSA-N 0 0 551.709 3.241 40 0 KGABRN CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1)Cc1ccccc1 ZINC000223011514 571421474 /nfs/dbraw/zinc/42/14/74/571421474.db2.gz HJXKMBONFHOSNY-VMPREFPWSA-N 0 0 563.720 3.384 40 0 KGABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223013068 571421580 /nfs/dbraw/zinc/42/15/80/571421580.db2.gz 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CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1 ZINC000223236681 571448849 /nfs/dbraw/zinc/44/88/49/571448849.db2.gz MKBWKPLOKQQRIZ-YTTGMZPUSA-N 0 0 636.815 3.015 40 0 KGABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1 ZINC000223236736 571448857 /nfs/dbraw/zinc/44/88/57/571448857.db2.gz MKBWKPLOKQQRIZ-JGCGQSQUSA-N 0 0 636.815 3.015 40 0 KGABRN COC(=O)CSc1nnc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)s1 ZINC000223237750 571448978 /nfs/dbraw/zinc/44/89/78/571448978.db2.gz NYYCNMKLZFDAMD-UHFFFAOYSA-N 0 0 510.594 3.085 40 0 KGABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](Cc2ccccc2)C(=O)NCCO)cc1 ZINC000223237836 571448951 /nfs/dbraw/zinc/44/89/51/571448951.db2.gz ZBTFDTZJXIVQSW-PMERELPUSA-N 0 0 593.746 3.161 40 0 KGABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](Cc2ccccc2)C(=O)NCCO)cc1 ZINC000223237899 571448940 /nfs/dbraw/zinc/44/89/40/571448940.db2.gz ZBTFDTZJXIVQSW-SSEXGKCCSA-N 0 0 593.746 3.161 40 0 KGABRN 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/nfs/dbraw/zinc/47/69/97/571476997.db2.gz CBAUVRUIBKACSN-NRFANRHFSA-N 0 0 517.623 3.473 40 0 KGABRN CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223441012 571476975 /nfs/dbraw/zinc/47/69/75/571476975.db2.gz RUHSUHAOJMVYIQ-AREMUKBSSA-N 0 0 511.619 3.494 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223441016 571476970 /nfs/dbraw/zinc/47/69/70/571476970.db2.gz CBAUVRUIBKACSN-OAQYLSRUSA-N 0 0 517.623 3.473 40 0 KGABRN CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223441064 571477121 /nfs/dbraw/zinc/47/71/21/571477121.db2.gz RUHSUHAOJMVYIQ-SANMLTNESA-N 0 0 511.619 3.494 40 0 KGABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223441182 571477129 /nfs/dbraw/zinc/47/71/29/571477129.db2.gz ZUJCVUVPCYXVON-GOSISDBHSA-N 0 0 540.082 3.457 40 0 KGABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223441246 571477080 /nfs/dbraw/zinc/47/70/80/571477080.db2.gz ZUJCVUVPCYXVON-SFHVURJKSA-N 0 0 540.082 3.457 40 0 KGABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223441335 571477093 /nfs/dbraw/zinc/47/70/93/571477093.db2.gz ODMKTKKGYPQQRO-HXUWFJFHSA-N 0 0 519.664 3.112 40 0 KGABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223441396 571477170 /nfs/dbraw/zinc/47/71/70/571477170.db2.gz ODMKTKKGYPQQRO-FQEVSTJZSA-N 0 0 519.664 3.112 40 0 KGABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223441931 571477243 /nfs/dbraw/zinc/47/72/43/571477243.db2.gz CAMPJKCVSIWSQI-FQEVSTJZSA-N 0 0 503.596 3.082 40 0 KGABRN COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223441947 571477210 /nfs/dbraw/zinc/47/72/10/571477210.db2.gz AOPYNHUBRHEWNV-HHHXNRCGSA-N 0 0 541.645 3.120 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223441989 571477190 /nfs/dbraw/zinc/47/71/90/571477190.db2.gz CAMPJKCVSIWSQI-HXUWFJFHSA-N 0 0 503.596 3.082 40 0 KGABRN COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223442004 571477250 /nfs/dbraw/zinc/47/72/50/571477250.db2.gz AOPYNHUBRHEWNV-MHZLTWQESA-N 0 0 541.645 3.120 40 0 KGABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223442010 571477223 /nfs/dbraw/zinc/47/72/23/571477223.db2.gz JWJVRIBLXJYWIL-GOSISDBHSA-N 0 0 540.082 3.457 40 0 KGABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223442064 571477248 /nfs/dbraw/zinc/47/72/48/571477248.db2.gz JWJVRIBLXJYWIL-SFHVURJKSA-N 0 0 540.082 3.457 40 0 KGABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223442291 571477202 /nfs/dbraw/zinc/47/72/02/571477202.db2.gz FORZJJCVSRETEO-OAQYLSRUSA-N 0 0 503.665 3.412 40 0 KGABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223442348 571477253 /nfs/dbraw/zinc/47/72/53/571477253.db2.gz FORZJJCVSRETEO-NRFANRHFSA-N 0 0 503.665 3.412 40 0 KGABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000223442791 571477318 /nfs/dbraw/zinc/47/73/18/571477318.db2.gz RMSPTMBENSYIKK-VWLOTQADSA-N 0 0 567.664 3.215 40 0 KGABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223442841 571477352 /nfs/dbraw/zinc/47/73/52/571477352.db2.gz IJCQGKQKYOHBFN-OAQYLSRUSA-N 0 0 503.665 3.412 40 0 KGABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000223442845 571477300 /nfs/dbraw/zinc/47/73/00/571477300.db2.gz RMSPTMBENSYIKK-RUZDIDTESA-N 0 0 567.664 3.215 40 0 KGABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223442900 571477373 /nfs/dbraw/zinc/47/73/73/571477373.db2.gz IJCQGKQKYOHBFN-NRFANRHFSA-N 0 0 503.665 3.412 40 0 KGABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223442913 571477343 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KGABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223663365 571522782 /nfs/dbraw/zinc/52/27/82/571522782.db2.gz ZOACHCFCMMYHNT-QHCPKHFHSA-N 0 0 503.665 3.346 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223663421 571522817 /nfs/dbraw/zinc/52/28/17/571522817.db2.gz ZOACHCFCMMYHNT-HSZRJFAPSA-N 0 0 503.665 3.346 40 0 KGABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223665167 571523130 /nfs/dbraw/zinc/52/31/30/571523130.db2.gz AABLXRTZQDIZQP-QFIPXVFZSA-N 0 0 536.670 3.169 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223665225 571523132 /nfs/dbraw/zinc/52/31/32/571523132.db2.gz AABLXRTZQDIZQP-JOCHJYFZSA-N 0 0 536.670 3.169 40 0 KGABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223666219 571523240 /nfs/dbraw/zinc/52/32/40/571523240.db2.gz ISUNAOUNJODXSB-QFIPXVFZSA-N 0 0 529.659 3.342 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223666285 571523285 /nfs/dbraw/zinc/52/32/85/571523285.db2.gz ISUNAOUNJODXSB-JOCHJYFZSA-N 0 0 529.659 3.342 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223671941 571524239 /nfs/dbraw/zinc/52/42/39/571524239.db2.gz QCPGRRZZOXRJJL-XMMPIXPASA-N 0 0 503.665 3.493 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223672001 571524227 /nfs/dbraw/zinc/52/42/27/571524227.db2.gz QCPGRRZZOXRJJL-DEOSSOPVSA-N 0 0 503.665 3.493 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223672089 571524228 /nfs/dbraw/zinc/52/42/28/571524228.db2.gz FMQKBLOEENMNAV-XMMPIXPASA-N 0 0 503.665 3.493 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223672145 571524229 /nfs/dbraw/zinc/52/42/29/571524229.db2.gz FMQKBLOEENMNAV-DEOSSOPVSA-N 0 0 503.665 3.493 40 0 KGABRN COc1cccc(-c2noc(CNC(=O)/C(=C/c3ccco3)NC(=O)c3ccc(OC)c(OC)c3)n2)c1 ZINC000223675964 571524896 /nfs/dbraw/zinc/52/48/96/571524896.db2.gz JHXPQFHRIREMAB-ZHZULCJRSA-N 0 0 504.499 3.443 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O ZINC000223677572 571525164 /nfs/dbraw/zinc/52/51/64/571525164.db2.gz CHYSLBJOTCFSSF-OAQYLSRUSA-N 0 0 503.665 3.493 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O ZINC000223677630 571525207 /nfs/dbraw/zinc/52/52/07/571525207.db2.gz CHYSLBJOTCFSSF-NRFANRHFSA-N 0 0 503.665 3.493 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223677714 571525186 /nfs/dbraw/zinc/52/51/86/571525186.db2.gz XFTKLSVBTMXZGH-OAQYLSRUSA-N 0 0 503.665 3.493 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223677765 571525167 /nfs/dbraw/zinc/52/51/67/571525167.db2.gz XFTKLSVBTMXZGH-NRFANRHFSA-N 0 0 503.665 3.493 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223679200 571525508 /nfs/dbraw/zinc/52/55/08/571525508.db2.gz HYJHCHORLXEBBB-JOCHJYFZSA-N 0 0 503.665 3.493 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223679254 571525499 /nfs/dbraw/zinc/52/54/99/571525499.db2.gz HYJHCHORLXEBBB-QFIPXVFZSA-N 0 0 503.665 3.493 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223683098 571526222 /nfs/dbraw/zinc/52/62/22/571526222.db2.gz UHTDVVIYANAQLA-JOCHJYFZSA-N 0 0 517.648 3.213 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223683177 571526255 /nfs/dbraw/zinc/52/62/55/571526255.db2.gz UHTDVVIYANAQLA-QFIPXVFZSA-N 0 0 517.648 3.213 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223684491 571526521 /nfs/dbraw/zinc/52/65/21/571526521.db2.gz CPRMOKJWMINXKL-XMMPIXPASA-N 0 0 502.681 3.332 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223684564 571526544 /nfs/dbraw/zinc/52/65/44/571526544.db2.gz CPRMOKJWMINXKL-DEOSSOPVSA-N 0 0 502.681 3.332 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223684798 571526450 /nfs/dbraw/zinc/52/64/50/571526450.db2.gz OARBULCSFGMJKL-HSZRJFAPSA-N 0 0 531.675 3.256 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223684864 571526517 /nfs/dbraw/zinc/52/65/17/571526517.db2.gz OARBULCSFGMJKL-QHCPKHFHSA-N 0 0 531.675 3.256 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223688269 571527088 /nfs/dbraw/zinc/52/70/88/571527088.db2.gz VTYWPBCYGWPEOT-XMMPIXPASA-N 0 0 520.671 3.471 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223688328 571527133 /nfs/dbraw/zinc/52/71/33/571527133.db2.gz VTYWPBCYGWPEOT-DEOSSOPVSA-N 0 0 520.671 3.471 40 0 KGABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223690441 571527627 /nfs/dbraw/zinc/52/76/27/571527627.db2.gz GSYPOBKNGREEIL-QHCPKHFHSA-N 0 0 503.665 3.226 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223690494 571527819 /nfs/dbraw/zinc/52/78/19/571527819.db2.gz GSYPOBKNGREEIL-HSZRJFAPSA-N 0 0 503.665 3.226 40 0 KGABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223690580 571527732 /nfs/dbraw/zinc/52/77/32/571527732.db2.gz JBMWWHQACAWJJQ-QHCPKHFHSA-N 0 0 503.665 3.226 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223690635 571527786 /nfs/dbraw/zinc/52/77/86/571527786.db2.gz JBMWWHQACAWJJQ-HSZRJFAPSA-N 0 0 503.665 3.226 40 0 KGABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000223690903 571527773 /nfs/dbraw/zinc/52/77/73/571527773.db2.gz WVSJQGKFLGHVSX-QFIPXVFZSA-N 0 0 533.691 3.234 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000223690960 571527791 /nfs/dbraw/zinc/52/77/91/571527791.db2.gz WVSJQGKFLGHVSX-JOCHJYFZSA-N 0 0 533.691 3.234 40 0 KGABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000223691049 571527723 /nfs/dbraw/zinc/52/77/23/571527723.db2.gz NKBFRJBNVZBWII-QFIPXVFZSA-N 0 0 533.691 3.234 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000223691107 571527726 /nfs/dbraw/zinc/52/77/26/571527726.db2.gz NKBFRJBNVZBWII-JOCHJYFZSA-N 0 0 533.691 3.234 40 0 KGABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223691182 571527713 /nfs/dbraw/zinc/52/77/13/571527713.db2.gz WQOWWZMLTQQCCW-QFIPXVFZSA-N 0 0 533.691 3.234 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223691255 571527837 /nfs/dbraw/zinc/52/78/37/571527837.db2.gz WQOWWZMLTQQCCW-JOCHJYFZSA-N 0 0 533.691 3.234 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223692983 571528224 /nfs/dbraw/zinc/52/82/24/571528224.db2.gz TUKWCSFBZAVUNF-HSZRJFAPSA-N 0 0 520.671 3.471 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223693043 571528225 /nfs/dbraw/zinc/52/82/25/571528225.db2.gz TUKWCSFBZAVUNF-QHCPKHFHSA-N 0 0 520.671 3.471 40 0 KGABRN Cc1ccc(-c2noc(CN(C)C(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)n2)cc1 ZINC000223693743 571528342 /nfs/dbraw/zinc/52/83/42/571528342.db2.gz AZMFOOUSVIFQAL-UHFFFAOYSA-N 0 0 500.577 3.021 40 0 KGABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223697325 571529116 /nfs/dbraw/zinc/52/91/16/571529116.db2.gz FNBDFVUMRHFFGR-NRFANRHFSA-N 0 0 503.665 3.226 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223697380 571529063 /nfs/dbraw/zinc/52/90/63/571529063.db2.gz FNBDFVUMRHFFGR-OAQYLSRUSA-N 0 0 503.665 3.226 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000223698386 571529251 /nfs/dbraw/zinc/52/92/51/571529251.db2.gz ANNVVPOWQQQQSS-OAHLLOKOSA-N 0 0 530.872 3.422 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000223698443 571529276 /nfs/dbraw/zinc/52/92/76/571529276.db2.gz ANNVVPOWQQQQSS-HNNXBMFYSA-N 0 0 530.872 3.422 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000223698522 571529263 /nfs/dbraw/zinc/52/92/63/571529263.db2.gz PJHHLVGFLYKYSA-OAHLLOKOSA-N 0 0 530.872 3.422 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000223698574 571529164 /nfs/dbraw/zinc/52/91/64/571529164.db2.gz PJHHLVGFLYKYSA-HNNXBMFYSA-N 0 0 530.872 3.422 40 0 KGABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223699753 571529394 /nfs/dbraw/zinc/52/93/94/571529394.db2.gz UTLJRSIVPBRNKR-DEOSSOPVSA-N 0 0 515.676 3.420 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223699814 571529370 /nfs/dbraw/zinc/52/93/70/571529370.db2.gz UTLJRSIVPBRNKR-XMMPIXPASA-N 0 0 515.676 3.420 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223700157 571529464 /nfs/dbraw/zinc/52/94/64/571529464.db2.gz CCLKZAOHJMHFBG-OAHLLOKOSA-N 0 0 516.447 3.321 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223700228 571529467 /nfs/dbraw/zinc/52/94/67/571529467.db2.gz CCLKZAOHJMHFBG-HNNXBMFYSA-N 0 0 516.447 3.321 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223701035 571529596 /nfs/dbraw/zinc/52/95/96/571529596.db2.gz OBPFYHKBTHDILS-OAHLLOKOSA-N 0 0 516.447 3.321 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223701093 571529574 /nfs/dbraw/zinc/52/95/74/571529574.db2.gz OBPFYHKBTHDILS-HNNXBMFYSA-N 0 0 516.447 3.321 40 0 KGABRN CC[C@@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000223701460 571529609 /nfs/dbraw/zinc/52/96/09/571529609.db2.gz RWKRSNBTCYMCAT-LBPRGKRZSA-N 0 0 513.450 3.293 40 0 KGABRN CC[C@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000223701509 571529578 /nfs/dbraw/zinc/52/95/78/571529578.db2.gz RWKRSNBTCYMCAT-GFCCVEGCSA-N 0 0 513.450 3.293 40 0 KGABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223701517 571529588 /nfs/dbraw/zinc/52/95/88/571529588.db2.gz DWEZGWYCRPAPBU-QHCPKHFHSA-N 0 0 502.681 3.064 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223701569 571529562 /nfs/dbraw/zinc/52/95/62/571529562.db2.gz DWEZGWYCRPAPBU-HSZRJFAPSA-N 0 0 502.681 3.064 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000223701599 571529580 /nfs/dbraw/zinc/52/95/80/571529580.db2.gz KTCWVVPAGBXPRE-OAHLLOKOSA-N 0 0 530.872 3.422 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000223701653 571529576 /nfs/dbraw/zinc/52/95/76/571529576.db2.gz KTCWVVPAGBXPRE-HNNXBMFYSA-N 0 0 530.872 3.422 40 0 KGABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223701931 571529796 /nfs/dbraw/zinc/52/97/96/571529796.db2.gz MSXQVHDAUZVVRM-QFIPXVFZSA-N 0 0 509.619 3.495 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223701988 571529692 /nfs/dbraw/zinc/52/96/92/571529692.db2.gz MSXQVHDAUZVVRM-JOCHJYFZSA-N 0 0 509.619 3.495 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000223704567 571530124 /nfs/dbraw/zinc/53/01/24/571530124.db2.gz YLEKNSQXPVWUIL-OAHLLOKOSA-N 0 0 577.872 3.264 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000223704624 571530153 /nfs/dbraw/zinc/53/01/53/571530153.db2.gz YLEKNSQXPVWUIL-HNNXBMFYSA-N 0 0 577.872 3.264 40 0 KGABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000223704825 571530121 /nfs/dbraw/zinc/53/01/21/571530121.db2.gz ROZMXIAADDFKEO-QFIPXVFZSA-N 0 0 531.675 3.336 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000223704879 571530167 /nfs/dbraw/zinc/53/01/67/571530167.db2.gz ROZMXIAADDFKEO-JOCHJYFZSA-N 0 0 531.675 3.336 40 0 KGABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223704966 571530143 /nfs/dbraw/zinc/53/01/43/571530143.db2.gz OFGKLJYRVXKNHE-QHCPKHFHSA-N 0 0 545.702 3.379 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223705032 571530146 /nfs/dbraw/zinc/53/01/46/571530146.db2.gz OFGKLJYRVXKNHE-HSZRJFAPSA-N 0 0 545.702 3.379 40 0 KGABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223705263 571530094 /nfs/dbraw/zinc/53/00/94/571530094.db2.gz WAOOFXXNMDCNCY-QHCPKHFHSA-N 0 0 520.671 3.203 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223705321 571530189 /nfs/dbraw/zinc/53/01/89/571530189.db2.gz WAOOFXXNMDCNCY-HSZRJFAPSA-N 0 0 520.671 3.203 40 0 KGABRN COC(=O)CSc1nnc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)s1 ZINC000223707739 571530567 /nfs/dbraw/zinc/53/05/67/571530567.db2.gz OXFMFAYTFNRKII-UHFFFAOYSA-N 0 0 543.048 3.299 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223708088 571530526 /nfs/dbraw/zinc/53/05/26/571530526.db2.gz SUKVOGYBNQTVJY-CQSZACIVSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223708152 571530611 /nfs/dbraw/zinc/53/06/11/571530611.db2.gz SUKVOGYBNQTVJY-AWEZNQCLSA-N 0 0 504.411 3.452 40 0 KGABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000223709158 571530653 /nfs/dbraw/zinc/53/06/53/571530653.db2.gz ZSDGSUWTSXYACC-QFIPXVFZSA-N 0 0 518.632 3.076 40 0 KGABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000223709212 571530804 /nfs/dbraw/zinc/53/08/04/571530804.db2.gz ZSDGSUWTSXYACC-JOCHJYFZSA-N 0 0 518.632 3.076 40 0 KGABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223710193 571530898 /nfs/dbraw/zinc/53/08/98/571530898.db2.gz XKBJRCVOYIFCQS-QFIPXVFZSA-N 0 0 520.671 3.203 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223710243 571530994 /nfs/dbraw/zinc/53/09/94/571530994.db2.gz XKBJRCVOYIFCQS-JOCHJYFZSA-N 0 0 520.671 3.203 40 0 KGABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223711173 571531054 /nfs/dbraw/zinc/53/10/54/571531054.db2.gz JNVBOFHDFUEUIJ-QFIPXVFZSA-N 0 0 513.660 3.376 40 0 KGABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223711236 571531053 /nfs/dbraw/zinc/53/10/53/571531053.db2.gz JNVBOFHDFUEUIJ-JOCHJYFZSA-N 0 0 513.660 3.376 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223711550 571531107 /nfs/dbraw/zinc/53/11/07/571531107.db2.gz YKKHFBPJDXLYCB-QGZVFWFLSA-N 0 0 524.039 3.168 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223711614 571531120 /nfs/dbraw/zinc/53/11/20/571531120.db2.gz YKKHFBPJDXLYCB-KRWDZBQOSA-N 0 0 524.039 3.168 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223713341 571531380 /nfs/dbraw/zinc/53/13/80/571531380.db2.gz HUEDWFGCXHYTFE-LJQANCHMSA-N 0 0 509.072 3.123 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223713403 571531373 /nfs/dbraw/zinc/53/13/73/571531373.db2.gz HUEDWFGCXHYTFE-IBGZPJMESA-N 0 0 509.072 3.123 40 0 KGABRN COc1ccccc1OCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223717235 571532069 /nfs/dbraw/zinc/53/20/69/571532069.db2.gz ZBPRPGGRWDRFBK-UHFFFAOYSA-N 0 0 514.600 3.411 40 0 KGABRN 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CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000223789922 571544479 /nfs/dbraw/zinc/54/44/79/571544479.db2.gz RHFKCKIMIOWQAA-CQSZACIVSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000223789976 571544504 /nfs/dbraw/zinc/54/45/04/571544504.db2.gz RHFKCKIMIOWQAA-AWEZNQCLSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223790067 571544558 /nfs/dbraw/zinc/54/45/58/571544558.db2.gz QQYQRKKZJMVTHG-CQSZACIVSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223790124 571544459 /nfs/dbraw/zinc/54/44/59/571544459.db2.gz QQYQRKKZJMVTHG-AWEZNQCLSA-N 0 0 504.411 3.452 40 0 KGABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000223792430 571544910 /nfs/dbraw/zinc/54/49/10/571544910.db2.gz CJDIJCPUNFEYKJ-UHFFFAOYSA-N 0 0 541.592 3.016 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000223793075 571544940 /nfs/dbraw/zinc/54/49/40/571544940.db2.gz VDIVIHHDUULRIJ-CQSZACIVSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000223793125 571544957 /nfs/dbraw/zinc/54/49/57/571544957.db2.gz VDIVIHHDUULRIJ-AWEZNQCLSA-N 0 0 504.411 3.452 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223794668 571545252 /nfs/dbraw/zinc/54/52/52/571545252.db2.gz BWLYZQNWHMBHPF-GOSISDBHSA-N 0 0 510.056 3.448 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223794721 571545248 /nfs/dbraw/zinc/54/52/48/571545248.db2.gz BWLYZQNWHMBHPF-SFHVURJKSA-N 0 0 510.056 3.448 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223794801 571545244 /nfs/dbraw/zinc/54/52/44/571545244.db2.gz GYJQFEYHNDWFJA-GOSISDBHSA-N 0 0 510.056 3.448 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223794859 571545259 /nfs/dbraw/zinc/54/52/59/571545259.db2.gz GYJQFEYHNDWFJA-SFHVURJKSA-N 0 0 510.056 3.448 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000223794952 571545251 /nfs/dbraw/zinc/54/52/51/571545251.db2.gz WSSPUYMHZMRBMY-QGZVFWFLSA-N 0 0 526.055 3.067 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000223795007 571545270 /nfs/dbraw/zinc/54/52/70/571545270.db2.gz WSSPUYMHZMRBMY-KRWDZBQOSA-N 0 0 526.055 3.067 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000223795084 571545262 /nfs/dbraw/zinc/54/52/62/571545262.db2.gz NKBMWTVHLLYVRV-QGZVFWFLSA-N 0 0 526.055 3.067 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000223795142 571545230 /nfs/dbraw/zinc/54/52/30/571545230.db2.gz NKBMWTVHLLYVRV-KRWDZBQOSA-N 0 0 526.055 3.067 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223795219 571545240 /nfs/dbraw/zinc/54/52/40/571545240.db2.gz YBGFCJGJMZTWQZ-QGZVFWFLSA-N 0 0 526.055 3.067 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223795276 571545328 /nfs/dbraw/zinc/54/53/28/571545328.db2.gz YBGFCJGJMZTWQZ-KRWDZBQOSA-N 0 0 526.055 3.067 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000223795337 571545351 /nfs/dbraw/zinc/54/53/51/571545351.db2.gz NVRZQVNORUHVKB-LJQANCHMSA-N 0 0 573.618 3.485 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000223795393 571545413 /nfs/dbraw/zinc/54/54/13/571545413.db2.gz NVRZQVNORUHVKB-IBGZPJMESA-N 0 0 573.618 3.485 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000223795464 571545348 /nfs/dbraw/zinc/54/53/48/571545348.db2.gz GZEFBPCITAFQBZ-MRXNPFEDSA-N 0 0 528.444 3.216 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000223795519 571545427 /nfs/dbraw/zinc/54/54/27/571545427.db2.gz GZEFBPCITAFQBZ-INIZCTEOSA-N 0 0 528.444 3.216 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000223795824 571545405 /nfs/dbraw/zinc/54/54/05/571545405.db2.gz FUHUVIVLEKRIFR-CQSZACIVSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000223795871 571545388 /nfs/dbraw/zinc/54/53/88/571545388.db2.gz FUHUVIVLEKRIFR-AWEZNQCLSA-N 0 0 504.411 3.452 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223795997 571545420 /nfs/dbraw/zinc/54/54/20/571545420.db2.gz IVAODPJADCCKSM-GOSISDBHSA-N 0 0 510.056 3.367 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223796043 571545542 /nfs/dbraw/zinc/54/55/42/571545542.db2.gz IVAODPJADCCKSM-SFHVURJKSA-N 0 0 510.056 3.367 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000223798002 571545878 /nfs/dbraw/zinc/54/58/78/571545878.db2.gz CGLYQSWMQHHONX-HXUWFJFHSA-N 0 0 555.628 3.346 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000223798065 571545896 /nfs/dbraw/zinc/54/58/96/571545896.db2.gz CGLYQSWMQHHONX-FQEVSTJZSA-N 0 0 555.628 3.346 40 0 KGABRN COc1cccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000223803677 571547608 /nfs/dbraw/zinc/54/76/08/571547608.db2.gz MKJSCTMPAWPQRF-FQEVSTJZSA-N 0 0 501.649 3.246 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 ZINC000223803688 571547648 /nfs/dbraw/zinc/54/76/48/571547648.db2.gz FPENUDBFNMYPCZ-FQEVSTJZSA-N 0 0 501.649 3.246 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c(OC)c1 ZINC000223803705 571547652 /nfs/dbraw/zinc/54/76/52/571547652.db2.gz FRXPXCRTPQBAIZ-FQEVSTJZSA-N 0 0 531.675 3.254 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000223803714 571547592 /nfs/dbraw/zinc/54/75/92/571547592.db2.gz INMUXZXBRWXMCG-FQEVSTJZSA-N 0 0 531.675 3.254 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1OC ZINC000223803722 571547601 /nfs/dbraw/zinc/54/76/01/571547601.db2.gz YHYFFKUUQIDVKH-FQEVSTJZSA-N 0 0 531.675 3.254 40 0 KGABRN COc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223804299 571548281 /nfs/dbraw/zinc/54/82/81/571548281.db2.gz NTSGKRUDLNFKMN-FQEVSTJZSA-N 0 0 501.649 3.246 40 0 KGABRN CC(=O)c1cccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000223804598 571548438 /nfs/dbraw/zinc/54/84/38/571548438.db2.gz UIYPOARCWYHNGD-FQEVSTJZSA-N 0 0 513.660 3.440 40 0 KGABRN Cc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223804808 571548588 /nfs/dbraw/zinc/54/85/88/571548588.db2.gz WPPQMPHNCAGGNN-NRFANRHFSA-N 0 0 500.665 3.084 40 0 KGABRN Cc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223804839 571548627 /nfs/dbraw/zinc/54/86/27/571548627.db2.gz FAHFAILCYYWMFI-FQEVSTJZSA-N 0 0 529.659 3.008 40 0 KGABRN CCS(=O)(=O)N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC1CCCC1)c1ccc2c(c1)OCO2 ZINC000223805260 571548905 /nfs/dbraw/zinc/54/89/05/571548905.db2.gz KMJJILZWPFRDOI-FQEVSTJZSA-N 0 0 529.659 3.356 40 0 KGABRN CCS(=O)(=O)N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 ZINC000223805281 571548924 /nfs/dbraw/zinc/54/89/24/571548924.db2.gz QWRXEKPXCFFUSK-NRFANRHFSA-N 0 0 543.686 3.398 40 0 KGABRN Cc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223805314 571548918 /nfs/dbraw/zinc/54/89/18/571548918.db2.gz BEBMGMICAHIGSP-FQEVSTJZSA-N 0 0 518.655 3.223 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223805555 571549067 /nfs/dbraw/zinc/54/90/67/571549067.db2.gz UGSCPGGHRYHZAI-HXUWFJFHSA-N 0 0 506.024 3.208 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223805561 571549092 /nfs/dbraw/zinc/54/90/92/571549092.db2.gz UGSCPGGHRYHZAI-FQEVSTJZSA-N 0 0 506.024 3.208 40 0 KGABRN Cc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223806068 571549373 /nfs/dbraw/zinc/54/93/73/571549373.db2.gz ICSNOPLWXCLKJO-FQEVSTJZSA-N 0 0 518.655 3.223 40 0 KGABRN Cc1cccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223806214 571549533 /nfs/dbraw/zinc/54/95/33/571549533.db2.gz SYIPYQGLUPJZDV-FQEVSTJZSA-N 0 0 511.644 3.396 40 0 KGABRN Cc1cccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223806225 571549511 /nfs/dbraw/zinc/54/95/11/571549511.db2.gz SYIPYQGLUPJZDV-HXUWFJFHSA-N 0 0 511.644 3.396 40 0 KGABRN COc1cccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000223809831 571550926 /nfs/dbraw/zinc/55/09/26/571550926.db2.gz DEKCIQJCWXSEKB-FQEVSTJZSA-N 0 0 501.649 3.246 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 ZINC000223809848 571550855 /nfs/dbraw/zinc/55/08/55/571550855.db2.gz KVPMQYDWEVYASL-FQEVSTJZSA-N 0 0 501.649 3.246 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c(OC)c1 ZINC000223809897 571550929 /nfs/dbraw/zinc/55/09/29/571550929.db2.gz KRBPYUKKFNMDFZ-FQEVSTJZSA-N 0 0 531.675 3.254 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000223809918 571550838 /nfs/dbraw/zinc/55/08/38/571550838.db2.gz NELUMTKBMHHYMW-FQEVSTJZSA-N 0 0 531.675 3.254 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1OC ZINC000223809932 571550892 /nfs/dbraw/zinc/55/08/92/571550892.db2.gz LKTRGQCPNNCCEZ-FQEVSTJZSA-N 0 0 531.675 3.254 40 0 KGABRN COc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223810754 571551439 /nfs/dbraw/zinc/55/14/39/571551439.db2.gz KHCFTZGTNRBRAY-FQEVSTJZSA-N 0 0 501.649 3.246 40 0 KGABRN 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KGABRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 ZINC000223878424 571566628 /nfs/dbraw/zinc/56/66/28/571566628.db2.gz KCLPOLDDKWWTDR-SFHVURJKSA-N 0 0 505.612 3.076 40 0 KGABRN CCOc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223878513 571566691 /nfs/dbraw/zinc/56/66/91/571566691.db2.gz PTFYEURLSZOBSD-IBGZPJMESA-N 0 0 519.639 3.467 40 0 KGABRN CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 ZINC000223878598 571566681 /nfs/dbraw/zinc/56/66/81/571566681.db2.gz JXGZONVKEFYDAA-IBGZPJMESA-N 0 0 519.639 3.467 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c(OC)c1 ZINC000223878680 571566684 /nfs/dbraw/zinc/56/66/84/571566684.db2.gz UFOVVSJPCYOHMS-SFHVURJKSA-N 0 0 535.638 3.085 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000223878753 571566676 /nfs/dbraw/zinc/56/66/76/571566676.db2.gz UGRPDQKHZFYNKP-SFHVURJKSA-N 0 0 535.638 3.085 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1OC ZINC000223878846 571566604 /nfs/dbraw/zinc/56/66/04/571566604.db2.gz KQTYTHVPGILIKT-SFHVURJKSA-N 0 0 535.638 3.085 40 0 KGABRN COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223879582 571566871 /nfs/dbraw/zinc/56/68/71/571566871.db2.gz RNNXTKSDAZWMKZ-IBGZPJMESA-N 0 0 519.639 3.385 40 0 KGABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223882264 571567330 /nfs/dbraw/zinc/56/73/30/571567330.db2.gz LQBGKYMWOPQAKQ-LIRRHRJNSA-N 0 0 503.042 3.174 40 0 KGABRN CC[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223882318 571567403 /nfs/dbraw/zinc/56/74/03/571567403.db2.gz LQBGKYMWOPQAKQ-IFXJQAMLSA-N 0 0 503.042 3.174 40 0 KGABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223882399 571567301 /nfs/dbraw/zinc/56/73/01/571567301.db2.gz IVHFXWZHMMNOOD-KSSFIOAISA-N 0 0 503.042 3.174 40 0 KGABRN CC[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223882458 571567539 /nfs/dbraw/zinc/56/75/39/571567539.db2.gz IVHFXWZHMMNOOD-KBXCAEBGSA-N 0 0 503.042 3.174 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223882505 571567507 /nfs/dbraw/zinc/56/75/07/571567507.db2.gz FWHPDBLOBGDQKY-LJQANCHMSA-N 0 0 507.628 3.324 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223882561 571567509 /nfs/dbraw/zinc/56/75/09/571567509.db2.gz FWHPDBLOBGDQKY-IBGZPJMESA-N 0 0 507.628 3.324 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223882653 571567534 /nfs/dbraw/zinc/56/75/34/571567534.db2.gz VEPIYXXNCKPWDP-LJQANCHMSA-N 0 0 507.628 3.324 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223882715 571567543 /nfs/dbraw/zinc/56/75/43/571567543.db2.gz VEPIYXXNCKPWDP-IBGZPJMESA-N 0 0 507.628 3.324 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223882801 571567514 /nfs/dbraw/zinc/56/75/14/571567514.db2.gz UPHJBVGJJKXCGH-LJQANCHMSA-N 0 0 507.628 3.324 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223882856 571567504 /nfs/dbraw/zinc/56/75/04/571567504.db2.gz UPHJBVGJJKXCGH-IBGZPJMESA-N 0 0 507.628 3.324 40 0 KGABRN COc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223883514 571567697 /nfs/dbraw/zinc/56/76/97/571567697.db2.gz QEBBDYHVGDKPDR-SFHVURJKSA-N 0 0 505.612 3.076 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223883873 571567853 /nfs/dbraw/zinc/56/78/53/571567853.db2.gz RVFKANBHUILKJS-LJQANCHMSA-N 0 0 535.638 3.087 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223883928 571567801 /nfs/dbraw/zinc/56/78/01/571567801.db2.gz RVFKANBHUILKJS-IBGZPJMESA-N 0 0 535.638 3.087 40 0 KGABRN CS(=O)(=O)N(CCCC(=O)NCc1nc(-c2ccccc2Cl)no1)c1ccc2c(c1)OCCO2 ZINC000223884407 571567848 /nfs/dbraw/zinc/56/78/48/571567848.db2.gz ZPIDKEOYJOYJQX-UHFFFAOYSA-N 0 0 506.968 3.024 40 0 KGABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000223885367 571568207 /nfs/dbraw/zinc/56/82/07/571568207.db2.gz AZNGTUHYGAXVOG-SFHVURJKSA-N 0 0 517.623 3.270 40 0 KGABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223887129 571568409 /nfs/dbraw/zinc/56/84/09/571568409.db2.gz SHWVMZXQKCIUMO-INIZCTEOSA-N 0 0 511.566 3.346 40 0 KGABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223887181 571568418 /nfs/dbraw/zinc/56/84/18/571568418.db2.gz SHWVMZXQKCIUMO-MRXNPFEDSA-N 0 0 511.566 3.346 40 0 KGABRN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1)c1ccc2c(c1)OCO2 ZINC000223889650 571568977 /nfs/dbraw/zinc/56/89/77/571568977.db2.gz QKQANNUAHADMIZ-SFHVURJKSA-N 0 0 533.622 3.187 40 0 KGABRN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 ZINC000223889731 571568961 /nfs/dbraw/zinc/56/89/61/571568961.db2.gz XUANAFKRPLZRBP-IBGZPJMESA-N 0 0 547.649 3.229 40 0 KGABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223889900 571568940 /nfs/dbraw/zinc/56/89/40/571568940.db2.gz XUCKSIWGPMPHIC-SFHVURJKSA-N 0 0 522.618 3.054 40 0 KGABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223889960 571568944 /nfs/dbraw/zinc/56/89/44/571568944.db2.gz XUCKSIWGPMPHIC-GOSISDBHSA-N 0 0 522.618 3.054 40 0 KGABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223891723 571569200 /nfs/dbraw/zinc/56/92/00/571569200.db2.gz YNAUQLJSSPZDFM-SFHVURJKSA-N 0 0 508.662 3.083 40 0 KGABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223891775 571569192 /nfs/dbraw/zinc/56/91/92/571569192.db2.gz YNAUQLJSSPZDFM-GOSISDBHSA-N 0 0 508.662 3.083 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223892797 571569325 /nfs/dbraw/zinc/56/93/25/571569325.db2.gz OMQDOMBEBKFIOX-OAHLLOKOSA-N 0 0 516.447 3.321 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223892864 571569437 /nfs/dbraw/zinc/56/94/37/571569437.db2.gz OMQDOMBEBKFIOX-HNNXBMFYSA-N 0 0 516.447 3.321 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223892961 571569497 /nfs/dbraw/zinc/56/94/97/571569497.db2.gz MPFMAQOOEWKVJH-OAHLLOKOSA-N 0 0 516.447 3.321 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223893022 571569449 /nfs/dbraw/zinc/56/94/49/571569449.db2.gz MPFMAQOOEWKVJH-HNNXBMFYSA-N 0 0 516.447 3.321 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000223893361 571569453 /nfs/dbraw/zinc/56/94/53/571569453.db2.gz DUNAZJLWTXPHGI-OAHLLOKOSA-N 0 0 546.473 3.330 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000223893420 571569445 /nfs/dbraw/zinc/56/94/45/571569445.db2.gz DUNAZJLWTXPHGI-HNNXBMFYSA-N 0 0 546.473 3.330 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000223893497 571569442 /nfs/dbraw/zinc/56/94/42/571569442.db2.gz XRSJPPPJUGGNJT-OAHLLOKOSA-N 0 0 546.473 3.330 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000223893545 571569601 /nfs/dbraw/zinc/56/96/01/571569601.db2.gz XRSJPPPJUGGNJT-HNNXBMFYSA-N 0 0 546.473 3.330 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223893615 571569685 /nfs/dbraw/zinc/56/96/85/571569685.db2.gz VEBKVMVSHJHUAG-OAHLLOKOSA-N 0 0 546.473 3.330 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223893669 571569628 /nfs/dbraw/zinc/56/96/28/571569628.db2.gz VEBKVMVSHJHUAG-HNNXBMFYSA-N 0 0 546.473 3.330 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223894022 571569612 /nfs/dbraw/zinc/56/96/12/571569612.db2.gz OWXFRTAGVFARRY-CQSZACIVSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223894078 571569660 /nfs/dbraw/zinc/56/96/60/571569660.db2.gz OWXFRTAGVFARRY-AWEZNQCLSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223894153 571569595 /nfs/dbraw/zinc/56/95/95/571569595.db2.gz RPQXYUCVQPJCBQ-CQSZACIVSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223894208 571569626 /nfs/dbraw/zinc/56/96/26/571569626.db2.gz RPQXYUCVQPJCBQ-AWEZNQCLSA-N 0 0 504.411 3.452 40 0 KGABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223894215 571569695 /nfs/dbraw/zinc/56/96/95/571569695.db2.gz RCKLVLOJECTDDS-SFHVURJKSA-N 0 0 522.618 3.054 40 0 KGABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223894278 571569771 /nfs/dbraw/zinc/56/97/71/571569771.db2.gz RCKLVLOJECTDDS-GOSISDBHSA-N 0 0 522.618 3.054 40 0 KGABRN COC(=O)CSc1nnc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)s1 ZINC000223894892 571569741 /nfs/dbraw/zinc/56/97/41/571569741.db2.gz NJHBZPIBSOUHRD-UHFFFAOYSA-N 0 0 519.841 3.168 40 0 KGABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223895118 571569942 /nfs/dbraw/zinc/56/99/42/571569942.db2.gz ASSPZRYBQFAGDE-SFHVURJKSA-N 0 0 515.607 3.227 40 0 KGABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223895175 571569931 /nfs/dbraw/zinc/56/99/31/571569931.db2.gz ASSPZRYBQFAGDE-GOSISDBHSA-N 0 0 515.607 3.227 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223899806 571570824 /nfs/dbraw/zinc/57/08/24/571570824.db2.gz WGGBPRQFNBAMPV-OAHLLOKOSA-N 0 0 516.447 3.321 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223899865 571571056 /nfs/dbraw/zinc/57/10/56/571571056.db2.gz WGGBPRQFNBAMPV-HNNXBMFYSA-N 0 0 516.447 3.321 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223900494 571571011 /nfs/dbraw/zinc/57/10/11/571571011.db2.gz KXPPCLMTWZOVGU-CQSZACIVSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223900547 571570987 /nfs/dbraw/zinc/57/09/87/571570987.db2.gz KXPPCLMTWZOVGU-AWEZNQCLSA-N 0 0 504.411 3.452 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223901607 571571250 /nfs/dbraw/zinc/57/12/50/571571250.db2.gz DFKJQJWQSICTOE-QGZVFWFLSA-N 0 0 510.454 3.159 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223901651 571571362 /nfs/dbraw/zinc/57/13/62/571571362.db2.gz DFKJQJWQSICTOE-KRWDZBQOSA-N 0 0 510.454 3.159 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223901739 571571309 /nfs/dbraw/zinc/57/13/09/571571309.db2.gz AVLBDMPTHFNQKO-GOSISDBHSA-N 0 0 524.481 3.467 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223901794 571571356 /nfs/dbraw/zinc/57/13/56/571571356.db2.gz AVLBDMPTHFNQKO-SFHVURJKSA-N 0 0 524.481 3.467 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223901876 571571302 /nfs/dbraw/zinc/57/13/02/571571302.db2.gz UNFPYYYZNGFLAV-GOSISDBHSA-N 0 0 524.481 3.467 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223901929 571571332 /nfs/dbraw/zinc/57/13/32/571571332.db2.gz UNFPYYYZNGFLAV-SFHVURJKSA-N 0 0 524.481 3.467 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223902001 571571305 /nfs/dbraw/zinc/57/13/05/571571305.db2.gz KTPWZBXWDDRORQ-GOSISDBHSA-N 0 0 524.481 3.467 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223902055 571571327 /nfs/dbraw/zinc/57/13/27/571571327.db2.gz KTPWZBXWDDRORQ-SFHVURJKSA-N 0 0 524.481 3.467 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223902736 571571574 /nfs/dbraw/zinc/57/15/74/571571574.db2.gz RLSPMCPEVPLMLB-CQSZACIVSA-N 0 0 530.430 3.042 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223902800 571571649 /nfs/dbraw/zinc/57/16/49/571571649.db2.gz RLSPMCPEVPLMLB-AWEZNQCLSA-N 0 0 530.430 3.042 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223903648 571571743 /nfs/dbraw/zinc/57/17/43/571571743.db2.gz IXSCOBMURXTNPA-QGZVFWFLSA-N 0 0 540.480 3.167 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223903697 571571733 /nfs/dbraw/zinc/57/17/33/571571733.db2.gz IXSCOBMURXTNPA-KRWDZBQOSA-N 0 0 540.480 3.167 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223903779 571571764 /nfs/dbraw/zinc/57/17/64/571571764.db2.gz DQZZTHSSGDVYMU-QGZVFWFLSA-N 0 0 540.480 3.167 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223903833 571571740 /nfs/dbraw/zinc/57/17/40/571571740.db2.gz DQZZTHSSGDVYMU-KRWDZBQOSA-N 0 0 540.480 3.167 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223904105 571571762 /nfs/dbraw/zinc/57/17/62/571571762.db2.gz XQAFCXRAYIMPND-MRXNPFEDSA-N 0 0 515.463 3.160 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223904166 571571898 /nfs/dbraw/zinc/57/18/98/571571898.db2.gz XQAFCXRAYIMPND-INIZCTEOSA-N 0 0 515.463 3.160 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000223904195 571571886 /nfs/dbraw/zinc/57/18/86/571571886.db2.gz INKRJSYSAWJJDR-QGZVFWFLSA-N 0 0 570.506 3.176 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000223904259 571571887 /nfs/dbraw/zinc/57/18/87/571571887.db2.gz INKRJSYSAWJJDR-KRWDZBQOSA-N 0 0 570.506 3.176 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000223904344 571571905 /nfs/dbraw/zinc/57/19/05/571571905.db2.gz MVVNACBNYZJWFC-QGZVFWFLSA-N 0 0 570.506 3.176 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223904403 571571914 /nfs/dbraw/zinc/57/19/14/571571914.db2.gz BLTBAWPERDQBKN-OAHLLOKOSA-N 0 0 544.457 3.084 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000223904408 571571912 /nfs/dbraw/zinc/57/19/12/571571912.db2.gz MVVNACBNYZJWFC-KRWDZBQOSA-N 0 0 570.506 3.176 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223904460 571571944 /nfs/dbraw/zinc/57/19/44/571571944.db2.gz BLTBAWPERDQBKN-HNNXBMFYSA-N 0 0 544.457 3.084 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223904485 571571909 /nfs/dbraw/zinc/57/19/09/571571909.db2.gz JKVGXNYHOCFXOB-QGZVFWFLSA-N 0 0 570.506 3.176 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223904541 571571908 /nfs/dbraw/zinc/57/19/08/571571908.db2.gz JKVGXNYHOCFXOB-KRWDZBQOSA-N 0 0 570.506 3.176 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223904897 571572045 /nfs/dbraw/zinc/57/20/45/571572045.db2.gz FGMLPOAXTGNKBT-MRXNPFEDSA-N 0 0 528.444 3.298 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223904955 571572046 /nfs/dbraw/zinc/57/20/46/571572046.db2.gz FGMLPOAXTGNKBT-INIZCTEOSA-N 0 0 528.444 3.298 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223905037 571572090 /nfs/dbraw/zinc/57/20/90/571572090.db2.gz BCKAWHUDQFBJNE-MRXNPFEDSA-N 0 0 528.444 3.298 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223905089 571572069 /nfs/dbraw/zinc/57/20/69/571572069.db2.gz BCKAWHUDQFBJNE-INIZCTEOSA-N 0 0 528.444 3.298 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223905299 571572048 /nfs/dbraw/zinc/57/20/48/571572048.db2.gz RQGLYUJLLWTGNW-GOSISDBHSA-N 0 0 554.507 3.476 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223905365 571572042 /nfs/dbraw/zinc/57/20/42/571572042.db2.gz RQGLYUJLLWTGNW-SFHVURJKSA-N 0 0 554.507 3.476 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000223907373 571572478 /nfs/dbraw/zinc/57/24/78/571572478.db2.gz IGKXSJDJJSOLLB-OAHLLOKOSA-N 0 0 544.457 3.432 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000223907429 571572679 /nfs/dbraw/zinc/57/26/79/571572679.db2.gz IGKXSJDJJSOLLB-HNNXBMFYSA-N 0 0 544.457 3.432 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223907504 571572614 /nfs/dbraw/zinc/57/26/14/571572614.db2.gz QZTHKEADTZZWEN-MRXNPFEDSA-N 0 0 558.484 3.474 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223907558 571572672 /nfs/dbraw/zinc/57/26/72/571572672.db2.gz QZTHKEADTZZWEN-INIZCTEOSA-N 0 0 558.484 3.474 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223907775 571572617 /nfs/dbraw/zinc/57/26/17/571572617.db2.gz ONJGJGJBFUJEGK-OAHLLOKOSA-N 0 0 533.453 3.299 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223907829 571572635 /nfs/dbraw/zinc/57/26/35/571572635.db2.gz ONJGJGJBFUJEGK-HNNXBMFYSA-N 0 0 533.453 3.299 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223910546 571573270 /nfs/dbraw/zinc/57/32/70/571573270.db2.gz YSBQICQAIJTQME-MRXNPFEDSA-N 0 0 500.448 3.476 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223910609 571573233 /nfs/dbraw/zinc/57/32/33/571573233.db2.gz YSBQICQAIJTQME-INIZCTEOSA-N 0 0 500.448 3.476 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223910804 571573374 /nfs/dbraw/zinc/57/33/74/571573374.db2.gz WUVSVPQBPGPRBO-QGZVFWFLSA-N 0 0 540.480 3.167 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223910857 571573386 /nfs/dbraw/zinc/57/33/86/571573386.db2.gz WUVSVPQBPGPRBO-KRWDZBQOSA-N 0 0 540.480 3.167 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223911454 571573593 /nfs/dbraw/zinc/57/35/93/571573593.db2.gz QRPQQBFKASEZMD-MRXNPFEDSA-N 0 0 528.444 3.298 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223911505 571573582 /nfs/dbraw/zinc/57/35/82/571573582.db2.gz QRPQQBFKASEZMD-INIZCTEOSA-N 0 0 528.444 3.298 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223912176 571573735 /nfs/dbraw/zinc/57/37/35/571573735.db2.gz ZBRREIMNVBIFRU-OAHLLOKOSA-N 0 0 533.453 3.299 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223912229 571573712 /nfs/dbraw/zinc/57/37/12/571573712.db2.gz ZBRREIMNVBIFRU-HNNXBMFYSA-N 0 0 533.453 3.299 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223913059 571573895 /nfs/dbraw/zinc/57/38/95/571573895.db2.gz UNNUJBNVGARRBQ-OAHLLOKOSA-N 0 0 526.442 3.472 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223913111 571573885 /nfs/dbraw/zinc/57/38/85/571573885.db2.gz UNNUJBNVGARRBQ-HNNXBMFYSA-N 0 0 526.442 3.472 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223913216 571573987 /nfs/dbraw/zinc/57/39/87/571573987.db2.gz KEYQGDWUKKHWAI-QGZVFWFLSA-N 0 0 552.491 3.361 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223913274 571574082 /nfs/dbraw/zinc/57/40/82/571574082.db2.gz KEYQGDWUKKHWAI-KRWDZBQOSA-N 0 0 552.491 3.361 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223914132 571574265 /nfs/dbraw/zinc/57/42/65/571574265.db2.gz AUXDWMIPCYMBRI-CQSZACIVSA-N 0 0 512.415 3.081 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223914189 571574212 /nfs/dbraw/zinc/57/42/12/571574212.db2.gz AUXDWMIPCYMBRI-AWEZNQCLSA-N 0 0 512.415 3.081 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223915063 571574540 /nfs/dbraw/zinc/57/45/40/571574540.db2.gz XQSNVLIKFWKKRE-GOSISDBHSA-N 0 0 539.496 3.005 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223915124 571574617 /nfs/dbraw/zinc/57/46/17/571574617.db2.gz XQSNVLIKFWKKRE-SFHVURJKSA-N 0 0 539.496 3.005 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223915507 571574706 /nfs/dbraw/zinc/57/47/06/571574706.db2.gz UJGJKBGBQDZGPK-OAHLLOKOSA-N 0 0 546.434 3.437 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223915560 571574735 /nfs/dbraw/zinc/57/47/35/571574735.db2.gz UJGJKBGBQDZGPK-HNNXBMFYSA-N 0 0 546.434 3.437 40 0 KGABRN COc1ccc(-c2nnc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCN(C)CC4)c3)s2)cc1 ZINC000223916137 571574746 /nfs/dbraw/zinc/57/47/46/571574746.db2.gz WIMMKGNRSDOKSW-UHFFFAOYSA-N 0 0 508.025 3.056 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000223918411 571575290 /nfs/dbraw/zinc/57/52/90/571575290.db2.gz HNRXVGAYIMZSIN-QGZVFWFLSA-N 0 0 568.490 3.277 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000223918470 571575310 /nfs/dbraw/zinc/57/53/10/571575310.db2.gz HNRXVGAYIMZSIN-KRWDZBQOSA-N 0 0 568.490 3.277 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223918548 571575351 /nfs/dbraw/zinc/57/53/51/571575351.db2.gz QRPNGZHJCRHFMQ-GOSISDBHSA-N 0 0 582.517 3.320 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223918604 571575348 /nfs/dbraw/zinc/57/53/48/571575348.db2.gz QRPNGZHJCRHFMQ-SFHVURJKSA-N 0 0 582.517 3.320 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223918821 571575343 /nfs/dbraw/zinc/57/53/43/571575343.db2.gz XZWRKMYMJGOBCH-QGZVFWFLSA-N 0 0 557.486 3.145 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223918868 571575320 /nfs/dbraw/zinc/57/53/20/571575320.db2.gz XZWRKMYMJGOBCH-KRWDZBQOSA-N 0 0 557.486 3.145 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223921788 571575795 /nfs/dbraw/zinc/57/57/95/571575795.db2.gz IOZJFUKVWFSDKJ-GOSISDBHSA-N 0 0 524.481 3.322 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223921841 571575763 /nfs/dbraw/zinc/57/57/63/571575763.db2.gz IOZJFUKVWFSDKJ-SFHVURJKSA-N 0 0 524.481 3.322 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223921924 571575923 /nfs/dbraw/zinc/57/59/23/571575923.db2.gz JZVYXLKZJQXBQN-FFZOFVMBSA-N 0 0 504.425 3.034 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223921993 571575903 /nfs/dbraw/zinc/57/59/03/571575903.db2.gz JZVYXLKZJQXBQN-AHRSYUTCSA-N 0 0 504.425 3.034 40 0 KGABRN COC(=O)CSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3cc(Cl)ccc3O2)s1 ZINC000223922437 571575908 /nfs/dbraw/zinc/57/59/08/571575908.db2.gz ZSIKWPMODZWCHC-INIZCTEOSA-N 0 0 541.032 3.052 40 0 KGABRN COC(=O)CSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3cc(Cl)ccc3O2)s1 ZINC000223922472 571575862 /nfs/dbraw/zinc/57/58/62/571575862.db2.gz ZSIKWPMODZWCHC-MRXNPFEDSA-N 0 0 541.032 3.052 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223923428 571576251 /nfs/dbraw/zinc/57/62/51/571576251.db2.gz KHPPMFGQOFZBST-QGZVFWFLSA-N 0 0 557.486 3.145 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223923488 571576278 /nfs/dbraw/zinc/57/62/78/571576278.db2.gz KHPPMFGQOFZBST-KRWDZBQOSA-N 0 0 557.486 3.145 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223924369 571576365 /nfs/dbraw/zinc/57/63/65/571576365.db2.gz YFUMZMSUVSIRSK-QGZVFWFLSA-N 0 0 550.475 3.317 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223924431 571576380 /nfs/dbraw/zinc/57/63/80/571576380.db2.gz YFUMZMSUVSIRSK-KRWDZBQOSA-N 0 0 550.475 3.317 40 0 KGABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-n1cnnc1 ZINC000223924523 571576425 /nfs/dbraw/zinc/57/64/25/571576425.db2.gz AGNMGBPSMYHJJU-JWQCQUIFSA-N 0 0 500.632 3.417 40 0 KGABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-n1cnnc1 ZINC000223924580 571576342 /nfs/dbraw/zinc/57/63/42/571576342.db2.gz AGNMGBPSMYHJJU-RPBOFIJWSA-N 0 0 500.632 3.417 40 0 KGABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-n1cnnc1 ZINC000223924647 571576405 /nfs/dbraw/zinc/57/64/05/571576405.db2.gz AGNMGBPSMYHJJU-LOSJGSFVSA-N 0 0 500.632 3.417 40 0 KGABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-n1cnnc1 ZINC000223924702 571576516 /nfs/dbraw/zinc/57/65/16/571576516.db2.gz AGNMGBPSMYHJJU-DQEYMECFSA-N 0 0 500.632 3.417 40 0 KGABRN COc1ccccc1OCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000223926186 571576836 /nfs/dbraw/zinc/57/68/36/571576836.db2.gz DSFWEFLQZSEKEM-UHFFFAOYSA-N 0 0 500.573 3.346 40 0 KGABRN COc1cccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)c1 ZINC000223926447 571576810 /nfs/dbraw/zinc/57/68/10/571576810.db2.gz LCHXDQSSZBTSIN-UHFFFAOYSA-N 0 0 500.573 3.346 40 0 KGABRN COc1ccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1 ZINC000223926526 571576765 /nfs/dbraw/zinc/57/67/65/571576765.db2.gz RCXXFWIEMLOLKS-UHFFFAOYSA-N 0 0 500.573 3.346 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223937010 571579021 /nfs/dbraw/zinc/57/90/21/571579021.db2.gz TXSFIUMSMJQECU-OAHLLOKOSA-N 0 0 516.447 3.321 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223937063 571579076 /nfs/dbraw/zinc/57/90/76/571579076.db2.gz TXSFIUMSMJQECU-HNNXBMFYSA-N 0 0 516.447 3.321 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223937142 571579047 /nfs/dbraw/zinc/57/90/47/571579047.db2.gz URHAJIKYBFCXDS-OAHLLOKOSA-N 0 0 516.447 3.321 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223937202 571579002 /nfs/dbraw/zinc/57/90/02/571579002.db2.gz URHAJIKYBFCXDS-HNNXBMFYSA-N 0 0 516.447 3.321 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000223937532 571579169 /nfs/dbraw/zinc/57/91/69/571579169.db2.gz VEGFBUIINSWBQQ-OAHLLOKOSA-N 0 0 546.473 3.330 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000223937586 571579185 /nfs/dbraw/zinc/57/91/85/571579185.db2.gz VEGFBUIINSWBQQ-HNNXBMFYSA-N 0 0 546.473 3.330 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000223937660 571579182 /nfs/dbraw/zinc/57/91/82/571579182.db2.gz FBCCTWXENYDXMG-OAHLLOKOSA-N 0 0 546.473 3.330 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000223937719 571579127 /nfs/dbraw/zinc/57/91/27/571579127.db2.gz FBCCTWXENYDXMG-HNNXBMFYSA-N 0 0 546.473 3.330 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223937798 571579208 /nfs/dbraw/zinc/57/92/08/571579208.db2.gz JAGNAJLCVJILDR-OAHLLOKOSA-N 0 0 546.473 3.330 40 0 KGABRN COC(=O)CSc1nnc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)s1 ZINC000223937801 571579202 /nfs/dbraw/zinc/57/92/02/571579202.db2.gz YGBXTIALSDYSHI-UHFFFAOYSA-N 0 0 506.631 3.254 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223937860 571579129 /nfs/dbraw/zinc/57/91/29/571579129.db2.gz JAGNAJLCVJILDR-HNNXBMFYSA-N 0 0 546.473 3.330 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223938232 571579294 /nfs/dbraw/zinc/57/92/94/571579294.db2.gz PXBFEXCOXATNLF-CQSZACIVSA-N 0 0 504.411 3.452 40 0 KGABRN CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000223938255 571579326 /nfs/dbraw/zinc/57/93/26/571579326.db2.gz AWBNSMMJWSTUCD-MRXNPFEDSA-N 0 0 515.038 3.277 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223938286 571579310 /nfs/dbraw/zinc/57/93/10/571579310.db2.gz PXBFEXCOXATNLF-AWEZNQCLSA-N 0 0 504.411 3.452 40 0 KGABRN CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000223938307 571579297 /nfs/dbraw/zinc/57/92/97/571579297.db2.gz AWBNSMMJWSTUCD-INIZCTEOSA-N 0 0 515.038 3.277 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223938364 571579320 /nfs/dbraw/zinc/57/93/20/571579320.db2.gz XWXHYTIPSWTIEM-CQSZACIVSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223938427 571579296 /nfs/dbraw/zinc/57/92/96/571579296.db2.gz XWXHYTIPSWTIEM-AWEZNQCLSA-N 0 0 504.411 3.452 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223944152 571580504 /nfs/dbraw/zinc/58/05/04/571580504.db2.gz ULIFSCSMKNNABA-OAHLLOKOSA-N 0 0 516.447 3.321 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223944205 571580492 /nfs/dbraw/zinc/58/04/92/571580492.db2.gz ULIFSCSMKNNABA-HNNXBMFYSA-N 0 0 516.447 3.321 40 0 KGABRN 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CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223947101 571581268 /nfs/dbraw/zinc/58/12/68/571581268.db2.gz RDHSCXFMTAUEAE-CQSZACIVSA-N 0 0 530.430 3.042 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223947163 571581281 /nfs/dbraw/zinc/58/12/81/571581281.db2.gz RDHSCXFMTAUEAE-AWEZNQCLSA-N 0 0 530.430 3.042 40 0 KGABRN O=C(Nc1nnc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)s1)c1ccccc1Cl ZINC000223947454 571581216 /nfs/dbraw/zinc/58/12/16/571581216.db2.gz OCMRPZNAAQREOM-RMKNXTFCSA-N 0 0 504.037 3.464 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223948377 571581540 /nfs/dbraw/zinc/58/15/40/571581540.db2.gz SAPVRBSNPYXLRE-QGZVFWFLSA-N 0 0 540.480 3.167 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223948436 571581471 /nfs/dbraw/zinc/58/14/71/571581471.db2.gz SAPVRBSNPYXLRE-KRWDZBQOSA-N 0 0 540.480 3.167 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223948467 571581521 /nfs/dbraw/zinc/58/15/21/571581521.db2.gz WDMLEGVZRZDCEU-MRXNPFEDSA-N 0 0 515.463 3.160 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223948511 571581486 /nfs/dbraw/zinc/58/14/86/571581486.db2.gz IDGOXYYJNAUCTM-QGZVFWFLSA-N 0 0 540.480 3.167 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223948514 571581512 /nfs/dbraw/zinc/58/15/12/571581512.db2.gz WDMLEGVZRZDCEU-INIZCTEOSA-N 0 0 515.463 3.160 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223948564 571581476 /nfs/dbraw/zinc/58/14/76/571581476.db2.gz IDGOXYYJNAUCTM-KRWDZBQOSA-N 0 0 540.480 3.167 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223948723 571581473 /nfs/dbraw/zinc/58/14/73/571581473.db2.gz VNYSCRLIOHNILL-OAHLLOKOSA-N 0 0 544.457 3.084 40 0 KGABRN 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CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223949191 571581650 /nfs/dbraw/zinc/58/16/50/571581650.db2.gz QGBNIZIFBYQVFN-QGZVFWFLSA-N 0 0 570.506 3.176 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223949258 571581630 /nfs/dbraw/zinc/58/16/30/571581630.db2.gz QGBNIZIFBYQVFN-KRWDZBQOSA-N 0 0 570.506 3.176 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223949608 571581741 /nfs/dbraw/zinc/58/17/41/571581741.db2.gz GIOKUUKSAJSGJQ-MRXNPFEDSA-N 0 0 528.444 3.298 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223949666 571581733 /nfs/dbraw/zinc/58/17/33/571581733.db2.gz GIOKUUKSAJSGJQ-INIZCTEOSA-N 0 0 528.444 3.298 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223949753 571581792 /nfs/dbraw/zinc/58/17/92/571581792.db2.gz LIPHZPZRWFBBLI-MRXNPFEDSA-N 0 0 528.444 3.298 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223949812 571581755 /nfs/dbraw/zinc/58/17/55/571581755.db2.gz LIPHZPZRWFBBLI-INIZCTEOSA-N 0 0 528.444 3.298 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223950026 571581788 /nfs/dbraw/zinc/58/17/88/571581788.db2.gz SXSDSCBMTKNTHL-GOSISDBHSA-N 0 0 554.507 3.476 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223950077 571581992 /nfs/dbraw/zinc/58/19/92/571581992.db2.gz SXSDSCBMTKNTHL-SFHVURJKSA-N 0 0 554.507 3.476 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000223951612 571582245 /nfs/dbraw/zinc/58/22/45/571582245.db2.gz NFTVUIUYCDWAGH-OAHLLOKOSA-N 0 0 544.457 3.432 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000223951671 571582267 /nfs/dbraw/zinc/58/22/67/571582267.db2.gz NFTVUIUYCDWAGH-HNNXBMFYSA-N 0 0 544.457 3.432 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223951751 571582288 /nfs/dbraw/zinc/58/22/88/571582288.db2.gz HCZUUJKEWQCJIW-MRXNPFEDSA-N 0 0 558.484 3.474 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223951805 571582204 /nfs/dbraw/zinc/58/22/04/571582204.db2.gz HCZUUJKEWQCJIW-INIZCTEOSA-N 0 0 558.484 3.474 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223952027 571582377 /nfs/dbraw/zinc/58/23/77/571582377.db2.gz XKFNRJQVXHJXGI-OAHLLOKOSA-N 0 0 533.453 3.299 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223952084 571582380 /nfs/dbraw/zinc/58/23/80/571582380.db2.gz XKFNRJQVXHJXGI-HNNXBMFYSA-N 0 0 533.453 3.299 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223954908 571582895 /nfs/dbraw/zinc/58/28/95/571582895.db2.gz PHAZHCOYFANPNP-MRXNPFEDSA-N 0 0 500.448 3.476 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223954965 571582862 /nfs/dbraw/zinc/58/28/62/571582862.db2.gz PHAZHCOYFANPNP-INIZCTEOSA-N 0 0 500.448 3.476 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223955674 571583088 /nfs/dbraw/zinc/58/30/88/571583088.db2.gz JIGKXTBHWVDCGO-QGZVFWFLSA-N 0 0 540.480 3.167 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223955738 571583199 /nfs/dbraw/zinc/58/31/99/571583199.db2.gz JIGKXTBHWVDCGO-KRWDZBQOSA-N 0 0 540.480 3.167 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223956337 571583370 /nfs/dbraw/zinc/58/33/70/571583370.db2.gz PRCLYCLNSBHRNC-MRXNPFEDSA-N 0 0 528.444 3.298 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223956390 571583408 /nfs/dbraw/zinc/58/34/08/571583408.db2.gz PRCLYCLNSBHRNC-INIZCTEOSA-N 0 0 528.444 3.298 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223956489 571583302 /nfs/dbraw/zinc/58/33/02/571583302.db2.gz RTRZIMMBVAAMJQ-OAHLLOKOSA-N 0 0 533.453 3.299 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223956540 571583330 /nfs/dbraw/zinc/58/33/30/571583330.db2.gz RTRZIMMBVAAMJQ-HNNXBMFYSA-N 0 0 533.453 3.299 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223957347 571583517 /nfs/dbraw/zinc/58/35/17/571583517.db2.gz FXVNEUXAEGCWQF-OAHLLOKOSA-N 0 0 526.442 3.472 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223957400 571583688 /nfs/dbraw/zinc/58/36/88/571583688.db2.gz FXVNEUXAEGCWQF-HNNXBMFYSA-N 0 0 526.442 3.472 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223958074 571583722 /nfs/dbraw/zinc/58/37/22/571583722.db2.gz LHGOQMSZNFWMGT-QGZVFWFLSA-N 0 0 552.491 3.361 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223958134 571583808 /nfs/dbraw/zinc/58/38/08/571583808.db2.gz LHGOQMSZNFWMGT-KRWDZBQOSA-N 0 0 552.491 3.361 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223958387 571583727 /nfs/dbraw/zinc/58/37/27/571583727.db2.gz SWQHSDFLELHAHC-CQSZACIVSA-N 0 0 512.415 3.081 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000223958441 571583961 /nfs/dbraw/zinc/58/39/61/571583961.db2.gz SWQHSDFLELHAHC-AWEZNQCLSA-N 0 0 512.415 3.081 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223958676 571583970 /nfs/dbraw/zinc/58/39/70/571583970.db2.gz ALRRSSWTCASMFQ-HSZRJFAPSA-N 0 0 503.665 3.493 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223958732 571583964 /nfs/dbraw/zinc/58/39/64/571583964.db2.gz ALRRSSWTCASMFQ-QHCPKHFHSA-N 0 0 503.665 3.493 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223958820 571583917 /nfs/dbraw/zinc/58/39/17/571583917.db2.gz KJISMDRZIRBKDC-XMMPIXPASA-N 0 0 503.665 3.493 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223958870 571583939 /nfs/dbraw/zinc/58/39/39/571583939.db2.gz KJISMDRZIRBKDC-DEOSSOPVSA-N 0 0 503.665 3.493 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223958953 571583906 /nfs/dbraw/zinc/58/39/06/571583906.db2.gz ZPDXYIZVNYUGTK-XMMPIXPASA-N 0 0 503.665 3.493 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223959009 571583923 /nfs/dbraw/zinc/58/39/23/571583923.db2.gz ZPDXYIZVNYUGTK-DEOSSOPVSA-N 0 0 503.665 3.493 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223959958 571584240 /nfs/dbraw/zinc/58/42/40/571584240.db2.gz RKZYVNQJIJLZQH-GOSISDBHSA-N 0 0 539.496 3.005 40 0 KGABRN 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CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000223961342 571584326 /nfs/dbraw/zinc/58/43/26/571584326.db2.gz ICYWXZVZUFOIOA-QHCPKHFHSA-N 0 0 549.690 3.202 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223961420 571584328 /nfs/dbraw/zinc/58/43/28/571584328.db2.gz DQXWOFYLUQQTFA-HSZRJFAPSA-N 0 0 549.690 3.202 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000223961477 571584545 /nfs/dbraw/zinc/58/45/45/571584545.db2.gz DQXWOFYLUQQTFA-QHCPKHFHSA-N 0 0 549.690 3.202 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223961854 571584532 /nfs/dbraw/zinc/58/45/32/571584532.db2.gz YRSOZCJJXVRDOZ-JOCHJYFZSA-N 0 0 507.628 3.324 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223961912 571584559 /nfs/dbraw/zinc/58/45/59/571584559.db2.gz YRSOZCJJXVRDOZ-QFIPXVFZSA-N 0 0 507.628 3.324 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223961993 571584514 /nfs/dbraw/zinc/58/45/14/571584514.db2.gz YJJODEVBBXBOBK-HSZRJFAPSA-N 0 0 507.628 3.324 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223962055 571584506 /nfs/dbraw/zinc/58/45/06/571584506.db2.gz YJJODEVBBXBOBK-QHCPKHFHSA-N 0 0 507.628 3.324 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000223963233 571584756 /nfs/dbraw/zinc/58/47/56/571584756.db2.gz ZXAOAKCOPROQKN-QGZVFWFLSA-N 0 0 568.490 3.277 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000223963289 571584784 /nfs/dbraw/zinc/58/47/84/571584784.db2.gz ZXAOAKCOPROQKN-KRWDZBQOSA-N 0 0 568.490 3.277 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223963376 571584770 /nfs/dbraw/zinc/58/47/70/571584770.db2.gz LEWUVHWOSNLMHA-GOSISDBHSA-N 0 0 582.517 3.320 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223963430 571584815 /nfs/dbraw/zinc/58/48/15/571584815.db2.gz LEWUVHWOSNLMHA-SFHVURJKSA-N 0 0 582.517 3.320 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223963665 571584855 /nfs/dbraw/zinc/58/48/55/571584855.db2.gz ZEWOLTTWBFDYRH-QGZVFWFLSA-N 0 0 557.486 3.145 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223963730 571584748 /nfs/dbraw/zinc/58/47/48/571584748.db2.gz ZEWOLTTWBFDYRH-KRWDZBQOSA-N 0 0 557.486 3.145 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223966620 571585219 /nfs/dbraw/zinc/58/52/19/571585219.db2.gz GBYIMAVMMQXSSV-GOSISDBHSA-N 0 0 524.481 3.322 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223966674 571585225 /nfs/dbraw/zinc/58/52/25/571585225.db2.gz GBYIMAVMMQXSSV-SFHVURJKSA-N 0 0 524.481 3.322 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223966774 571585263 /nfs/dbraw/zinc/58/52/63/571585263.db2.gz NQGPIGSUYYQSIX-FFZOFVMBSA-N 0 0 504.425 3.034 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223966835 571585265 /nfs/dbraw/zinc/58/52/65/571585265.db2.gz NQGPIGSUYYQSIX-AHRSYUTCSA-N 0 0 504.425 3.034 40 0 KGABRN COC(=O)CSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)s1 ZINC000223966877 571585257 /nfs/dbraw/zinc/58/52/57/571585257.db2.gz CUIGGGVCNQPEOZ-UHFFFAOYSA-N 0 0 539.488 3.291 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223967971 571585595 /nfs/dbraw/zinc/58/55/95/571585595.db2.gz AVQFZXTZHFZFOZ-JOCHJYFZSA-N 0 0 519.664 3.194 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223968027 571585568 /nfs/dbraw/zinc/58/55/68/571585568.db2.gz AVQFZXTZHFZFOZ-QFIPXVFZSA-N 0 0 519.664 3.194 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223968332 571585572 /nfs/dbraw/zinc/58/55/72/571585572.db2.gz MSUVQIRHNIUQIA-QGZVFWFLSA-N 0 0 557.486 3.145 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223968393 571585544 /nfs/dbraw/zinc/58/55/44/571585544.db2.gz MSUVQIRHNIUQIA-KRWDZBQOSA-N 0 0 557.486 3.145 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223968642 571585597 /nfs/dbraw/zinc/58/55/97/571585597.db2.gz LTLSLBPEXGLABA-HSZRJFAPSA-N 0 0 507.628 3.324 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223968691 571585526 /nfs/dbraw/zinc/58/55/26/571585526.db2.gz LTLSLBPEXGLABA-QHCPKHFHSA-N 0 0 507.628 3.324 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000223968800 571585708 /nfs/dbraw/zinc/58/57/08/571585708.db2.gz PNEQWJAJWHUIQI-OAQYLSRUSA-N 0 0 509.628 3.444 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000223968859 571585750 /nfs/dbraw/zinc/58/57/50/571585750.db2.gz PNEQWJAJWHUIQI-NRFANRHFSA-N 0 0 509.628 3.444 40 0 KGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223969282 571585745 /nfs/dbraw/zinc/58/57/45/571585745.db2.gz PQWPVPHBQCAYFF-QGZVFWFLSA-N 0 0 550.475 3.317 40 0 KGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223969340 571585699 /nfs/dbraw/zinc/58/56/99/571585699.db2.gz PQWPVPHBQCAYFF-KRWDZBQOSA-N 0 0 550.475 3.317 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223970404 571586072 /nfs/dbraw/zinc/58/60/72/571586072.db2.gz VOVLOPDUVIBGMA-RUZDIDTESA-N 0 0 531.675 3.388 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223970459 571586041 /nfs/dbraw/zinc/58/60/41/571586041.db2.gz VOVLOPDUVIBGMA-VWLOTQADSA-N 0 0 531.675 3.388 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 ZINC000223970862 571585955 /nfs/dbraw/zinc/58/59/55/571585955.db2.gz JWQPJUQHDCIYPX-OAQYLSRUSA-N 0 0 539.654 3.453 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 ZINC000223970914 571586131 /nfs/dbraw/zinc/58/61/31/571586131.db2.gz JWQPJUQHDCIYPX-NRFANRHFSA-N 0 0 539.654 3.453 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 ZINC000223970992 571586179 /nfs/dbraw/zinc/58/61/79/571586179.db2.gz QJMKEJJVJGQMLU-OAQYLSRUSA-N 0 0 539.654 3.453 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 ZINC000223971047 571586125 /nfs/dbraw/zinc/58/61/25/571586125.db2.gz QJMKEJJVJGQMLU-NRFANRHFSA-N 0 0 539.654 3.453 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000223971387 571586151 /nfs/dbraw/zinc/58/61/51/571586151.db2.gz VKFOCSDSJGZFAF-OAQYLSRUSA-N 0 0 569.680 3.461 40 0 KGABRN 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CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223972671 571586479 /nfs/dbraw/zinc/58/64/79/571586479.db2.gz YQRZHGUGXWETNW-HSZRJFAPSA-N 0 0 525.618 3.463 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223972734 571586462 /nfs/dbraw/zinc/58/64/62/571586462.db2.gz YQRZHGUGXWETNW-QHCPKHFHSA-N 0 0 525.618 3.463 40 0 KGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 ZINC000223973204 571586621 /nfs/dbraw/zinc/58/66/21/571586621.db2.gz FGZQETXCPBJBKI-OAQYLSRUSA-N 0 0 539.654 3.453 40 0 KGABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 ZINC000223973260 571586627 /nfs/dbraw/zinc/58/66/27/571586627.db2.gz FGZQETXCPBJBKI-NRFANRHFSA-N 0 0 539.654 3.453 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000223975453 571587088 /nfs/dbraw/zinc/58/70/88/571587088.db2.gz AVCYZIOAQBMPFJ-HSZRJFAPSA-N 0 0 547.674 3.304 40 0 KGABRN 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CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223978780 571587734 /nfs/dbraw/zinc/58/77/34/571587734.db2.gz AAVKYSHQLYQUGK-XMMPIXPASA-N 0 0 503.665 3.348 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223978840 571587713 /nfs/dbraw/zinc/58/77/13/571587713.db2.gz AAVKYSHQLYQUGK-DEOSSOPVSA-N 0 0 503.665 3.348 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223980447 571588186 /nfs/dbraw/zinc/58/81/86/571588186.db2.gz NSLUOGBPNNLVOV-HSZRJFAPSA-N 0 0 536.670 3.171 40 0 KGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223980502 571588144 /nfs/dbraw/zinc/58/81/44/571588144.db2.gz NSLUOGBPNNLVOV-QHCPKHFHSA-N 0 0 536.670 3.171 40 0 KGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223981338 571588302 /nfs/dbraw/zinc/58/83/02/571588302.db2.gz ZZBDTXLBXCQRPY-HSZRJFAPSA-N 0 0 529.659 3.344 40 0 KGABRN 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C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000224098273 571609731 /nfs/dbraw/zinc/60/97/31/571609731.db2.gz HVEGTTKKYAIOEB-NRFANRHFSA-N 0 0 543.686 3.480 40 0 KGABRN Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)N(C)C)c1 ZINC000224098306 571609672 /nfs/dbraw/zinc/60/96/72/571609672.db2.gz JXUAHQMEPXMKCX-QFIPXVFZSA-N 0 0 502.681 3.106 40 0 KGABRN C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000224098322 571609656 /nfs/dbraw/zinc/60/96/56/571609656.db2.gz HVEGTTKKYAIOEB-OAQYLSRUSA-N 0 0 543.686 3.480 40 0 KGABRN CCS(=O)(=O)N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)c1ccc2c(c1)OCO2 ZINC000224099631 571609875 /nfs/dbraw/zinc/60/98/75/571609875.db2.gz VKPKMAJVHSPTIJ-FQEVSTJZSA-N 0 0 529.659 3.090 40 0 KGABRN CCS(=O)(=O)N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 ZINC000224099705 571609852 /nfs/dbraw/zinc/60/98/52/571609852.db2.gz AKNMRFOUKIIFBP-NRFANRHFSA-N 0 0 543.686 3.133 40 0 KGABRN 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CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000260873155 571776788 /nfs/dbraw/zinc/77/67/88/571776788.db2.gz BFJZRAKMZNUJOV-KNQAVFIVSA-N 0 0 519.664 3.192 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000260873156 571776791 /nfs/dbraw/zinc/77/67/91/571776791.db2.gz BFJZRAKMZNUJOV-UGKGYDQZSA-N 0 0 519.664 3.192 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000260873191 571776718 /nfs/dbraw/zinc/77/67/18/571776718.db2.gz BGMRWIFMIKQTSW-JPYJTQIMSA-N 0 0 507.628 3.322 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000260873194 571776778 /nfs/dbraw/zinc/77/67/78/571776778.db2.gz BGMRWIFMIKQTSW-MBSDFSHPSA-N 0 0 507.628 3.322 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000260873217 571776722 /nfs/dbraw/zinc/77/67/22/571776722.db2.gz BGXQDKOIWSVYTR-RDPSFJRHSA-N 0 0 503.665 3.492 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000260873221 571776659 /nfs/dbraw/zinc/77/66/59/571776659.db2.gz BGXQDKOIWSVYTR-YKSBVNFPSA-N 0 0 503.665 3.492 40 0 KGABRN Cc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000260873239 571777229 /nfs/dbraw/zinc/77/72/29/571777229.db2.gz BHBNQNNJKGGTQT-LJQANCHMSA-N 0 0 506.644 3.079 40 0 KGABRN COc1ccc(CN(C(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260873246 571777285 /nfs/dbraw/zinc/77/72/85/571777285.db2.gz FLDZAWABJRHBFU-OAQYLSRUSA-N 0 0 503.665 3.268 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000260873278 571777270 /nfs/dbraw/zinc/77/72/70/571777270.db2.gz BHQGEEMCBJQINY-MSOLQXFVSA-N 0 0 540.082 3.455 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000260873280 571777165 /nfs/dbraw/zinc/77/71/65/571777165.db2.gz BHQGEEMCBJQINY-ROUUACIJSA-N 0 0 540.082 3.455 40 0 KGABRN COc1ccc(CN(C(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260873351 571777251 /nfs/dbraw/zinc/77/72/51/571777251.db2.gz FRNZWTFSFCZEEI-GOSISDBHSA-N 0 0 554.507 3.413 40 0 KGABRN COc1cccc(CN(C(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 ZINC000260873384 571777730 /nfs/dbraw/zinc/77/77/30/571777730.db2.gz FXBDXUYEHQVMFS-OAQYLSRUSA-N 0 0 533.691 3.440 40 0 KGABRN COc1ccc(CN(C(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260873411 571777663 /nfs/dbraw/zinc/77/76/63/571777663.db2.gz FYITUYAHWFQCOP-OAQYLSRUSA-N 0 0 503.665 3.268 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000260873431 571777658 /nfs/dbraw/zinc/77/76/58/571777658.db2.gz FZMOPUIOIWVLJT-MSOLQXFVSA-N 0 0 571.481 3.389 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000260873433 571777745 /nfs/dbraw/zinc/77/77/45/571777745.db2.gz FZMOPUIOIWVLJT-ROUUACIJSA-N 0 0 571.481 3.389 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c(OC)c1 ZINC000260873449 571777670 /nfs/dbraw/zinc/77/76/70/571777670.db2.gz GCAAKDUFLOVKHK-GOSISDBHSA-N 0 0 540.082 3.313 40 0 KGABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000260874355 571778145 /nfs/dbraw/zinc/77/81/45/571778145.db2.gz LSJRDCDUQBMDSK-QGZVFWFLSA-N 0 0 552.491 3.360 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260874356 571778214 /nfs/dbraw/zinc/77/82/14/571778214.db2.gz LSLAZBONMZQVAY-QGZVFWFLSA-N 0 0 540.480 3.166 40 0 KGABRN COc1ccc(C)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000260874398 571778584 /nfs/dbraw/zinc/77/85/84/571778584.db2.gz LWWHYAOXTGFBLU-GOSISDBHSA-N 0 0 554.507 3.474 40 0 KGABRN CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2 ZINC000260874401 571778609 /nfs/dbraw/zinc/77/86/09/571778609.db2.gz LXAZNFLOBAFDIS-QGZVFWFLSA-N 0 0 524.039 3.167 40 0 KGABRN CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2 ZINC000260874426 571778579 /nfs/dbraw/zinc/77/85/79/571778579.db2.gz LZUNLKLTTCIGLF-GOSISDBHSA-N 0 0 538.066 3.209 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000260874914 571778944 /nfs/dbraw/zinc/77/89/44/571778944.db2.gz BJDKHYZKNFDOMX-PMACEKPBSA-N 0 0 506.644 3.079 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000260874917 571779058 /nfs/dbraw/zinc/77/90/58/571779058.db2.gz BJDKHYZKNFDOMX-UXHICEINSA-N 0 0 506.644 3.079 40 0 KGABRN Cc1cccc(CN(C(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 ZINC000260875495 571780742 /nfs/dbraw/zinc/78/07/42/571780742.db2.gz GGWIWGJXDFAEJY-OAQYLSRUSA-N 0 0 531.675 3.459 40 0 KGABRN CCOc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](CC)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260875496 571780747 /nfs/dbraw/zinc/78/07/47/571780747.db2.gz GHHNIDWQMQIZBS-JOCHJYFZSA-N 0 0 503.665 3.431 40 0 KGABRN COc1ccc(N(CCCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000260875568 571781123 /nfs/dbraw/zinc/78/11/23/571781123.db2.gz GQLUTAGGGYJGCF-JOCHJYFZSA-N 0 0 517.692 3.473 40 0 KGABRN COc1ccc(C)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260875656 571781277 /nfs/dbraw/zinc/78/12/77/571781277.db2.gz GTXAIJWHVUIJDE-OAQYLSRUSA-N 0 0 503.665 3.268 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000260876570 571781770 /nfs/dbraw/zinc/78/17/70/571781770.db2.gz BMKGFXNKPIFXLL-CYFREDJKSA-N 0 0 501.649 3.377 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000260876574 571781670 /nfs/dbraw/zinc/78/16/70/571781670.db2.gz BMKGFXNKPIFXLL-DVECYGJZSA-N 0 0 501.649 3.377 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000260876663 571782001 /nfs/dbraw/zinc/78/20/01/571782001.db2.gz BNSZUALEAHCGTD-RTWAWAEBSA-N 0 0 503.665 3.410 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000260876665 571782004 /nfs/dbraw/zinc/78/20/04/571782004.db2.gz BNSZUALEAHCGTD-SFTDATJTSA-N 0 0 503.665 3.410 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000260876668 571781971 /nfs/dbraw/zinc/78/19/71/571781971.db2.gz BNUBARKCLVNODI-KNQAVFIVSA-N 0 0 519.664 3.192 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000260876672 571782005 /nfs/dbraw/zinc/78/20/05/571782005.db2.gz BNUBARKCLVNODI-UGKGYDQZSA-N 0 0 519.664 3.192 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1Cl ZINC000260876775 571782322 /nfs/dbraw/zinc/78/23/22/571782322.db2.gz MSIAROKRRBPDNJ-MRXNPFEDSA-N 0 0 514.019 3.196 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000260876804 571782263 /nfs/dbraw/zinc/78/22/63/571782263.db2.gz BPCSPNJPURZHEJ-MSOLQXFVSA-N 0 0 527.062 3.424 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000260876809 571782255 /nfs/dbraw/zinc/78/22/55/571782255.db2.gz BPCSPNJPURZHEJ-ROUUACIJSA-N 0 0 527.062 3.424 40 0 KGABRN CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 ZINC000260876902 571782737 /nfs/dbraw/zinc/78/27/37/571782737.db2.gz BQHLXWSBFZSGED-LEWJYISDSA-N 0 0 503.665 3.492 40 0 KGABRN CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 ZINC000260876907 571782726 /nfs/dbraw/zinc/78/27/26/571782726.db2.gz BQHLXWSBFZSGED-NHCUHLMSSA-N 0 0 503.665 3.492 40 0 KGABRN CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 ZINC000260876911 571782759 /nfs/dbraw/zinc/78/27/59/571782759.db2.gz BQHLXWSBFZSGED-RTWAWAEBSA-N 0 0 503.665 3.492 40 0 KGABRN COc1ccc(CN(C(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000260877817 571783707 /nfs/dbraw/zinc/78/37/07/571783707.db2.gz GZXHEUNJMXENJZ-OAQYLSRUSA-N 0 0 533.691 3.440 40 0 KGABRN COc1ccc(Cl)cc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O ZINC000260877823 571783583 /nfs/dbraw/zinc/78/35/83/571783583.db2.gz HAPXJOXBTYWOGZ-LJQANCHMSA-N 0 0 524.083 3.347 40 0 KGABRN COc1cccc(CN(C(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1 ZINC000260877918 571784119 /nfs/dbraw/zinc/78/41/19/571784119.db2.gz HIQNESLPERDETF-QGZVFWFLSA-N 0 0 528.046 3.443 40 0 KGABRN CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000260877964 571784061 /nfs/dbraw/zinc/78/40/61/571784061.db2.gz HNPKZOHWMPQUST-LJQANCHMSA-N 0 0 507.628 3.180 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000260878460 571784501 /nfs/dbraw/zinc/78/45/01/571784501.db2.gz BRDLOGKHAKAQOF-PMACEKPBSA-N 0 0 519.664 3.110 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000260878462 571784530 /nfs/dbraw/zinc/78/45/30/571784530.db2.gz BRDLOGKHAKAQOF-UXHICEINSA-N 0 0 519.664 3.110 40 0 KGABRN 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KGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000260994657 571976900 /nfs/dbraw/zinc/97/69/00/571976900.db2.gz QMJNAAPUXHPTNG-RTWAWAEBSA-N 0 0 503.665 3.410 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000260994658 571976807 /nfs/dbraw/zinc/97/68/07/571976807.db2.gz QMJNAAPUXHPTNG-SFTDATJTSA-N 0 0 503.665 3.410 40 0 KGABRN Cc1ccccc1CN(C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)(C)C ZINC000260994686 571976868 /nfs/dbraw/zinc/97/68/68/571976868.db2.gz QNDWFFRVNLBCJL-LJQANCHMSA-N 0 0 506.644 3.079 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000260994713 571977277 /nfs/dbraw/zinc/97/72/77/571977277.db2.gz QOIMDPGTNBIXCC-RTWAWAEBSA-N 0 0 503.665 3.410 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000260994714 571977464 /nfs/dbraw/zinc/97/74/64/571977464.db2.gz QOIMDPGTNBIXCC-SFTDATJTSA-N 0 0 503.665 3.410 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000260994735 571977302 /nfs/dbraw/zinc/97/73/02/571977302.db2.gz QPKZUQDCABHEOU-LJQANCHMSA-N 0 0 519.664 3.110 40 0 KGABRN CCc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O ZINC000260994747 571977701 /nfs/dbraw/zinc/97/77/01/571977701.db2.gz QQHVTAWTQFAPNL-UXHICEINSA-N 0 0 503.665 3.356 40 0 KGABRN CCc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)N[C@@H](C)CC)S(C)(=O)=O ZINC000260994748 571977889 /nfs/dbraw/zinc/97/78/89/571977889.db2.gz QQHVTAWTQFAPNL-VQTJNVASSA-N 0 0 503.665 3.356 40 0 KGABRN CCc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O ZINC000260994749 571977753 /nfs/dbraw/zinc/97/77/53/571977753.db2.gz QQHVTAWTQFAPNL-WOJBJXKFSA-N 0 0 503.665 3.356 40 0 KGABRN COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000260994752 571977790 /nfs/dbraw/zinc/97/77/90/571977790.db2.gz QQLVKGHPDRISGF-QGZVFWFLSA-N 0 0 510.056 3.447 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000260994757 571977814 /nfs/dbraw/zinc/97/78/14/571977814.db2.gz QQWQPALHUYYHTB-KNQAVFIVSA-N 0 0 519.664 3.192 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000260994758 571977737 /nfs/dbraw/zinc/97/77/37/571977737.db2.gz QQWQPALHUYYHTB-UGKGYDQZSA-N 0 0 519.664 3.192 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000260995668 571977741 /nfs/dbraw/zinc/97/77/41/571977741.db2.gz QSCVUXMJQQJSPG-MSOLQXFVSA-N 0 0 540.082 3.455 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000260995669 571977837 /nfs/dbraw/zinc/97/78/37/571977837.db2.gz QSCVUXMJQQJSPG-ROUUACIJSA-N 0 0 540.082 3.455 40 0 KGABRN CCc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 ZINC000260996750 571980509 /nfs/dbraw/zinc/98/05/09/571980509.db2.gz QWSXIUSGKACERD-UXHICEINSA-N 0 0 503.665 3.356 40 0 KGABRN CCc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 ZINC000260996751 571980613 /nfs/dbraw/zinc/98/06/13/571980613.db2.gz QWSXIUSGKACERD-VQTJNVASSA-N 0 0 503.665 3.356 40 0 KGABRN CCc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 ZINC000260996754 571980496 /nfs/dbraw/zinc/98/04/96/571980496.db2.gz QWSXIUSGKACERD-WOJBJXKFSA-N 0 0 503.665 3.356 40 0 KGABRN CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000260996755 571980502 /nfs/dbraw/zinc/98/05/02/571980502.db2.gz QWTJFDRZFUNKBM-HXUWFJFHSA-N 0 0 503.665 3.492 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000260997373 571981811 /nfs/dbraw/zinc/98/18/11/571981811.db2.gz DQPKDVCZNNDGAC-MSOLQXFVSA-N 0 0 527.062 3.424 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000260997374 571981963 /nfs/dbraw/zinc/98/19/63/571981963.db2.gz DQPKDVCZNNDGAC-ROUUACIJSA-N 0 0 527.062 3.424 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000260997965 571982842 /nfs/dbraw/zinc/98/28/42/571982842.db2.gz RFWPIHULPPRXNY-QPPBQGQZSA-N 0 0 545.702 3.379 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000260997968 571982872 /nfs/dbraw/zinc/98/28/72/571982872.db2.gz RFWPIHULPPRXNY-URXFXBBRSA-N 0 0 545.702 3.379 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000260997982 571983377 /nfs/dbraw/zinc/98/33/77/571983377.db2.gz RGAGKHCORKKBPF-RDPSFJRHSA-N 0 0 503.665 3.492 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000260998996 571984500 /nfs/dbraw/zinc/98/45/00/571984500.db2.gz RGAGKHCORKKBPF-YKSBVNFPSA-N 0 0 503.665 3.492 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000260999209 571985382 /nfs/dbraw/zinc/98/53/82/571985382.db2.gz RKDNZYMDXZMJCC-RDPSFJRHSA-N 0 0 520.671 3.469 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000260999211 571985304 /nfs/dbraw/zinc/98/53/04/571985304.db2.gz RKDNZYMDXZMJCC-YKSBVNFPSA-N 0 0 520.671 3.469 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000260999927 571985808 /nfs/dbraw/zinc/98/58/08/571985808.db2.gz RMWVAZHCKCVZJG-RTWAWAEBSA-N 0 0 531.675 3.254 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000260999929 571985837 /nfs/dbraw/zinc/98/58/37/571985837.db2.gz RMWVAZHCKCVZJG-SFTDATJTSA-N 0 0 531.675 3.254 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000260999993 571986200 /nfs/dbraw/zinc/98/62/00/571986200.db2.gz RPIPECIMZBQIKQ-PMACEKPBSA-N 0 0 519.664 3.110 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000260999995 571986253 /nfs/dbraw/zinc/98/62/53/571986253.db2.gz RPIPECIMZBQIKQ-UXHICEINSA-N 0 0 519.664 3.110 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000260999996 571986212 /nfs/dbraw/zinc/98/62/12/571986212.db2.gz RPJJXODSWAFFFQ-PMACEKPBSA-N 0 0 519.664 3.110 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000260999999 571986147 /nfs/dbraw/zinc/98/61/47/571986147.db2.gz RPJJXODSWAFFFQ-UXHICEINSA-N 0 0 519.664 3.110 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000261001240 571988184 /nfs/dbraw/zinc/98/81/84/571988184.db2.gz RQTCHKUKHWLEPM-GOTSBHOMSA-N 0 0 516.708 3.291 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000261001241 571988072 /nfs/dbraw/zinc/98/80/72/571988072.db2.gz RQTCHKUKHWLEPM-PKTZIBPZSA-N 0 0 516.708 3.291 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000261001299 571988385 /nfs/dbraw/zinc/98/83/85/571988385.db2.gz RSLGTXNNXOFMGV-MSOLQXFVSA-N 0 0 540.082 3.455 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000261001301 571988379 /nfs/dbraw/zinc/98/83/79/571988379.db2.gz RSLGTXNNXOFMGV-ROUUACIJSA-N 0 0 540.082 3.455 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000261001687 571988408 /nfs/dbraw/zinc/98/84/08/571988408.db2.gz FGUXGVCVNDPVDG-IRXDYDNUSA-N 0 0 568.490 3.276 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000261001688 571988290 /nfs/dbraw/zinc/98/82/90/571988290.db2.gz FGUXGVCVNDPVDG-SJORKVTESA-N 0 0 568.490 3.276 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000261002296 571989758 /nfs/dbraw/zinc/98/97/58/571989758.db2.gz RUVZTLSFQRJZOY-OFNKIYASSA-N 0 0 531.675 3.254 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000261002299 571989704 /nfs/dbraw/zinc/98/97/04/571989704.db2.gz RUVZTLSFQRJZOY-REWPJTCUSA-N 0 0 531.675 3.254 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000261002393 571990079 /nfs/dbraw/zinc/99/00/79/571990079.db2.gz RWNDAGRUNJUOGN-PMACEKPBSA-N 0 0 519.664 3.110 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000261002395 571990238 /nfs/dbraw/zinc/99/02/38/571990238.db2.gz RWNDAGRUNJUOGN-UXHICEINSA-N 0 0 519.664 3.110 40 0 KGABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000261002403 571990150 /nfs/dbraw/zinc/99/01/50/571990150.db2.gz RWQXUZICVXJDAV-RDPSFJRHSA-N 0 0 518.680 3.030 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000261002405 571990153 /nfs/dbraw/zinc/99/01/53/571990153.db2.gz RWQXUZICVXJDAV-YKSBVNFPSA-N 0 0 518.680 3.030 40 0 KGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000261003343 571991088 /nfs/dbraw/zinc/99/10/88/571991088.db2.gz RZERADUDPQQJSS-MSOLQXFVSA-N 0 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COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)C2)c1 ZINC000408559575 572246969 /nfs/dbraw/zinc/24/69/69/572246969.db2.gz MPOPWYCYXZRTMQ-IBGZPJMESA-N 0 0 522.067 3.415 40 0 KGABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)C2)c1 ZINC000408559577 572247025 /nfs/dbraw/zinc/24/70/25/572247025.db2.gz MPOPWYCYXZRTMQ-LJQANCHMSA-N 0 0 522.067 3.415 40 0 KGABRN CCOc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408559716 572246940 /nfs/dbraw/zinc/24/69/40/572246940.db2.gz XTOGYXPTZKUILU-UHFFFAOYSA-N 0 0 509.993 3.439 40 0 KGABRN COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1NC(=O)c1ccccc1F ZINC000408559746 572247035 /nfs/dbraw/zinc/24/70/35/572247035.db2.gz YKBPFMKDZHHUSZ-UHFFFAOYSA-N 0 0 527.574 3.322 40 0 KGABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)cc1C ZINC000408561453 572248176 /nfs/dbraw/zinc/24/81/76/572248176.db2.gz SQDWLGUWFRXHPB-UHFFFAOYSA-N 0 0 501.649 3.152 40 0 KGABRN CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)cc2)CC1 ZINC000408561626 572248336 /nfs/dbraw/zinc/24/83/36/572248336.db2.gz UGUDCDUKUCSVQK-UHFFFAOYSA-N 0 0 510.996 3.330 40 0 KGABRN COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1NC(=O)c1ccc(C)cc1 ZINC000408561807 572248434 /nfs/dbraw/zinc/24/84/34/572248434.db2.gz VLFIATJJKHAPCK-UHFFFAOYSA-N 0 0 523.611 3.491 40 0 KGABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000408561999 572248474 /nfs/dbraw/zinc/24/84/74/572248474.db2.gz WRPNWUAFWINJTL-UHFFFAOYSA-N 0 0 506.068 3.484 40 0 KGABRN CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000408562216 572248613 /nfs/dbraw/zinc/24/86/13/572248613.db2.gz YFQGIFAHZNGXRR-UHFFFAOYSA-N 0 0 516.403 3.474 40 0 KGABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c(C)c1 ZINC000408562252 572248584 /nfs/dbraw/zinc/24/85/84/572248584.db2.gz YMTIMZKPUAVXLL-HSZRJFAPSA-N 0 0 513.660 3.086 40 0 KGABRN 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COCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2)cc2cc(Br)ccc21 ZINC000408573496 572258857 /nfs/dbraw/zinc/25/88/57/572258857.db2.gz BOCNSLICESCMLY-UHFFFAOYSA-N 0 0 538.196 3.251 40 0 KGABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCn4ccnc4)CC3=O)cc2)cc1Cl ZINC000408573644 572259049 /nfs/dbraw/zinc/25/90/49/572259049.db2.gz BZIUDTHQDSWVKD-IBGZPJMESA-N 0 0 509.994 3.422 40 0 KGABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCn4ccnc4)CC3=O)cc2)cc1Cl ZINC000408573647 572259088 /nfs/dbraw/zinc/25/90/88/572259088.db2.gz BZIUDTHQDSWVKD-LJQANCHMSA-N 0 0 509.994 3.422 40 0 KGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2cc(Cl)ccc2Cl)cc1 ZINC000408573922 572259201 /nfs/dbraw/zinc/25/92/01/572259201.db2.gz FNFBXPAMTJBYAY-UHFFFAOYSA-N 0 0 500.448 3.336 40 0 KGABRN O=C(COc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000408574125 572259365 /nfs/dbraw/zinc/25/93/65/572259365.db2.gz CISPHBKSOXNMID-HRAATJIYSA-N 0 0 505.493 3.371 40 0 KGABRN 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COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Br)cc3C)cc2)C1 ZINC000408576358 572261240 /nfs/dbraw/zinc/26/12/40/572261240.db2.gz GPCHKIALXRCOIN-QGZVFWFLSA-N 0 0 518.408 3.281 40 0 KGABRN COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)cc2)C1 ZINC000408576447 572261215 /nfs/dbraw/zinc/26/12/15/572261215.db2.gz HDPPXJKUEAABIX-KRWDZBQOSA-N 0 0 518.408 3.281 40 0 KGABRN CCOc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000408576826 572261459 /nfs/dbraw/zinc/26/14/59/572261459.db2.gz NRZGCJFNCPATCW-IBGZPJMESA-N 0 0 529.391 3.420 40 0 KGABRN CCOc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NC[C@H]2CCCO2)cc1 ZINC000408576827 572261532 /nfs/dbraw/zinc/26/15/32/572261532.db2.gz NRZGCJFNCPATCW-LJQANCHMSA-N 0 0 529.391 3.420 40 0 KGABRN COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3)cc2)C1 ZINC000408576892 572261566 /nfs/dbraw/zinc/26/15/66/572261566.db2.gz HDPPXJKUEAABIX-QGZVFWFLSA-N 0 0 518.408 3.281 40 0 KGABRN O=C(COc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408577963 572262555 /nfs/dbraw/zinc/26/25/55/572262555.db2.gz JQJOXWLKIOKDGR-GOSISDBHSA-N 0 0 549.455 3.202 40 0 KGABRN O=C(COc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408577965 572262521 /nfs/dbraw/zinc/26/25/21/572262521.db2.gz JQJOXWLKIOKDGR-SFHVURJKSA-N 0 0 549.455 3.202 40 0 KGABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCn3ccnc3)CC2=O)cc1 ZINC000408577988 572262550 /nfs/dbraw/zinc/26/25/50/572262550.db2.gz JUINYNPYSSECPT-IBGZPJMESA-N 0 0 509.994 3.422 40 0 KGABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCn3ccnc3)CC2=O)cc1 ZINC000408577990 572262547 /nfs/dbraw/zinc/26/25/47/572262547.db2.gz JUINYNPYSSECPT-LJQANCHMSA-N 0 0 509.994 3.422 40 0 KGABRN O=C(NC[C@@H]1CCCO1)C(=O)Nn1c(C(=O)Nc2ccc(F)cc2)cc2cc(Br)ccc21 ZINC000408578091 572262699 /nfs/dbraw/zinc/26/26/99/572262699.db2.gz SVSXCDZICQOPDJ-KRWDZBQOSA-N 0 0 503.328 3.161 40 0 KGABRN O=C(NC[C@H]1CCCO1)C(=O)Nn1c(C(=O)Nc2ccc(F)cc2)cc2cc(Br)ccc21 ZINC000408578092 572262698 /nfs/dbraw/zinc/26/26/98/572262698.db2.gz SVSXCDZICQOPDJ-QGZVFWFLSA-N 0 0 503.328 3.161 40 0 KGABRN Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1 ZINC000408578296 572262928 /nfs/dbraw/zinc/26/29/28/572262928.db2.gz KRNIKJKGVGQGCV-DYESRHJHSA-N 0 0 530.419 3.423 40 0 KGABRN Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1 ZINC000408578298 572262949 /nfs/dbraw/zinc/26/29/49/572262949.db2.gz KRNIKJKGVGQGCV-LAUBAEHRSA-N 0 0 530.419 3.423 40 0 KGABRN Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 ZINC000408578300 572262967 /nfs/dbraw/zinc/26/29/67/572262967.db2.gz KRNIKJKGVGQGCV-UTKZUKDTSA-N 0 0 530.419 3.423 40 0 KGABRN Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 ZINC000408578303 572262922 /nfs/dbraw/zinc/26/29/22/572262922.db2.gz KRNIKJKGVGQGCV-UWJYYQICSA-N 0 0 530.419 3.423 40 0 KGABRN O=C(NCCCN1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000408578333 572262946 /nfs/dbraw/zinc/26/29/46/572262946.db2.gz KUPYOHWJZGVBGL-GOSISDBHSA-N 0 0 518.536 3.149 40 0 KGABRN O=C(NCCCN1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000408578339 572262938 /nfs/dbraw/zinc/26/29/38/572262938.db2.gz KUPYOHWJZGVBGL-SFHVURJKSA-N 0 0 518.536 3.149 40 0 KGABRN COc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCc4ccccc4OC)CC3=O)cc2)c1 ZINC000408578341 572262929 /nfs/dbraw/zinc/26/29/29/572262929.db2.gz KWFDYWRXPZTCDM-FQEVSTJZSA-N 0 0 503.555 3.391 40 0 KGABRN COc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCc4ccccc4OC)CC3=O)cc2)c1 ZINC000408578343 572262926 /nfs/dbraw/zinc/26/29/26/572262926.db2.gz KWFDYWRXPZTCDM-HXUWFJFHSA-N 0 0 503.555 3.391 40 0 KGABRN CCc1cccc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCn3ccnc3)CC2=O)cc1 ZINC000408578718 572263285 /nfs/dbraw/zinc/26/32/85/572263285.db2.gz LSAGAISFNFKWSU-JOCHJYFZSA-N 0 0 503.603 3.331 40 0 KGABRN CCc1cccc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCn3ccnc3)CC2=O)cc1 ZINC000408578722 572263224 /nfs/dbraw/zinc/26/32/24/572263224.db2.gz LSAGAISFNFKWSU-QFIPXVFZSA-N 0 0 503.603 3.331 40 0 KGABRN COCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2cc(Br)ccc21 ZINC000408578733 572263215 /nfs/dbraw/zinc/26/32/15/572263215.db2.gz LTOYUQMAWFFBPJ-UHFFFAOYSA-N 0 0 507.772 3.451 40 0 KGABRN O=C(NC[C@@H]1CCCO1)C(=O)Nn1c(C(=O)Nc2ccccc2F)cc2cc(Br)ccc21 ZINC000408578942 572263464 /nfs/dbraw/zinc/26/34/64/572263464.db2.gz XDLLGDVUIXBUCX-HNNXBMFYSA-N 0 0 503.328 3.161 40 0 KGABRN O=C(NC[C@H]1CCCO1)C(=O)Nn1c(C(=O)Nc2ccccc2F)cc2cc(Br)ccc21 ZINC000408578943 572263406 /nfs/dbraw/zinc/26/34/06/572263406.db2.gz XDLLGDVUIXBUCX-OAHLLOKOSA-N 0 0 503.328 3.161 40 0 KGABRN COCCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)cc2C)cc2cc(Br)ccc21 ZINC000408579770 572263905 /nfs/dbraw/zinc/26/39/05/572263905.db2.gz OVXFBXBXMKTBHI-UHFFFAOYSA-N 0 0 501.381 3.496 40 0 KGABRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1 ZINC000408579778 572263927 /nfs/dbraw/zinc/26/39/27/572263927.db2.gz OWYMBXLVHKQWDK-NRFANRHFSA-N 0 0 587.515 3.275 40 0 KGABRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1 ZINC000408579779 572263899 /nfs/dbraw/zinc/26/38/99/572263899.db2.gz OWYMBXLVHKQWDK-OAQYLSRUSA-N 0 0 587.515 3.275 40 0 KGABRN COCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)cc2Br)cc2cc(Cl)ccc21 ZINC000408579785 572263904 /nfs/dbraw/zinc/26/39/04/572263904.db2.gz OXZBLVWEMGZASQ-UHFFFAOYSA-N 0 0 507.772 3.451 40 0 KGABRN Cc1cc(C)c(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCn4ccnc4)CC3=O)cc2)c(C)c1 ZINC000408579803 572264012 /nfs/dbraw/zinc/26/40/12/572264012.db2.gz PCNIYRAELAQZLC-JOCHJYFZSA-N 0 0 503.603 3.385 40 0 KGABRN Cc1cc(C)c(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCn4ccnc4)CC3=O)cc2)c(C)c1 ZINC000408579804 572263997 /nfs/dbraw/zinc/26/39/97/572263997.db2.gz PCNIYRAELAQZLC-QFIPXVFZSA-N 0 0 503.603 3.385 40 0 KGABRN COCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)c(C)c2)cc2cc(Cl)ccc21 ZINC000408580026 572263990 /nfs/dbraw/zinc/26/39/90/572263990.db2.gz PPSHNIPZHKBBPW-UHFFFAOYSA-N 0 0 507.772 3.451 40 0 KGABRN O=C(NCCN1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408580089 572264117 /nfs/dbraw/zinc/26/41/17/572264117.db2.gz QACUWLHEQABAES-INIZCTEOSA-N 0 0 505.402 3.047 40 0 KGABRN O=C(NCCN1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408580092 572264074 /nfs/dbraw/zinc/26/40/74/572264074.db2.gz QACUWLHEQABAES-MRXNPFEDSA-N 0 0 505.402 3.047 40 0 KGABRN O=C(COc1ccc(N2C[C@H](C(=O)NCCCn3ccnc3)CC2=O)cc1)Nc1ccc(Br)cc1 ZINC000408580103 572264095 /nfs/dbraw/zinc/26/40/95/572264095.db2.gz QAYHGXWTJZGZSM-GOSISDBHSA-N 0 0 540.418 3.223 40 0 KGABRN O=C(COc1ccc(N2C[C@@H](C(=O)NCCCn3ccnc3)CC2=O)cc1)Nc1ccc(Br)cc1 ZINC000408580105 572264110 /nfs/dbraw/zinc/26/41/10/572264110.db2.gz QAYHGXWTJZGZSM-SFHVURJKSA-N 0 0 540.418 3.223 40 0 KGABRN COCCCNC(=O)C(=O)Nn1c(C(=O)Nc2cc(C)cc(C)c2)cc2cc(Br)ccc21 ZINC000408580406 572264127 /nfs/dbraw/zinc/26/41/27/572264127.db2.gz QMROUPDWRMWHBQ-UHFFFAOYSA-N 0 0 501.381 3.496 40 0 KGABRN O=C(COc1ccc(N2C[C@H](C(=O)NCCCn3ccnc3)CC2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000408580411 572264154 /nfs/dbraw/zinc/26/41/54/572264154.db2.gz QNIUWSPPLRTXKE-GOSISDBHSA-N 0 0 529.519 3.479 40 0 KGABRN O=C(COc1ccc(N2C[C@@H](C(=O)NCCCn3ccnc3)CC2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000408580414 572264192 /nfs/dbraw/zinc/26/41/92/572264192.db2.gz QNIUWSPPLRTXKE-SFHVURJKSA-N 0 0 529.519 3.479 40 0 KGABRN O=C(COc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1)Nc1ccc(Br)cc1 ZINC000408580921 572264297 /nfs/dbraw/zinc/26/42/97/572264297.db2.gz RWSRLYNWKZNBQW-HRAATJIYSA-N 0 0 516.392 3.115 40 0 KGABRN O=C(COc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1)Nc1ccc(Br)cc1 ZINC000408580923 572264315 /nfs/dbraw/zinc/26/43/15/572264315.db2.gz RWSRLYNWKZNBQW-IERDGZPVSA-N 0 0 516.392 3.115 40 0 KGABRN O=C(COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1)Nc1ccc(Br)cc1 ZINC000408580924 572264332 /nfs/dbraw/zinc/26/43/32/572264332.db2.gz RWSRLYNWKZNBQW-IIBYNOLFSA-N 0 0 516.392 3.115 40 0 KGABRN O=C(COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1)Nc1ccc(Br)cc1 ZINC000408580925 572264349 /nfs/dbraw/zinc/26/43/49/572264349.db2.gz RWSRLYNWKZNBQW-KKSFZXQISA-N 0 0 516.392 3.115 40 0 KGABRN CCOc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NCCCOC)cc1 ZINC000408581413 572264475 /nfs/dbraw/zinc/26/44/75/572264475.db2.gz TVIITEWZXUPBKJ-UHFFFAOYSA-N 0 0 517.380 3.278 40 0 KGABRN COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc(C(=O)OC)c1 ZINC000408581667 572264476 /nfs/dbraw/zinc/26/44/76/572264476.db2.gz AAOIFCLRINEXJL-UHFFFAOYSA-N 0 0 512.540 3.387 40 0 KGABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1 ZINC000408581671 572264455 /nfs/dbraw/zinc/26/44/55/572264455.db2.gz ABBBUIKEQUZAQL-UHFFFAOYSA-N 0 0 539.006 3.351 40 0 KGABRN COCCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)c(C)c2)cc2cc(Br)ccc21 ZINC000408581766 572264569 /nfs/dbraw/zinc/26/45/69/572264569.db2.gz UGQMDFQYMILHFI-UHFFFAOYSA-N 0 0 501.381 3.496 40 0 KGABRN 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1059723579 /nfs/dbraw/zinc/72/35/79/1059723579.db2.gz RVQDPZDYSXRISU-DNQIBQKISA-N 0 0 535.647 3.378 40 0 KGABRN CCOC(=O)Cn1cc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408770016 1059723514 /nfs/dbraw/zinc/72/35/14/1059723514.db2.gz RVQDPZDYSXRISU-NIQJEMAJSA-N 0 0 535.647 3.378 40 0 KGABRN CCOC(=O)COc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408770343 1059725368 /nfs/dbraw/zinc/72/53/68/1059725368.db2.gz WIZRUZNLQBUKAY-BHSBJAHRSA-N 0 0 577.080 3.464 40 0 KGABRN CCOC(=O)COc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408770344 1059725999 /nfs/dbraw/zinc/72/59/99/1059725999.db2.gz WIZRUZNLQBUKAY-LPRAYXGFSA-N 0 0 577.080 3.464 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(I)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408770411 1059021487 /nfs/dbraw/zinc/02/14/87/1059021487.db2.gz XESFVJUTIOJMFN-FYXHJSOBSA-N 0 0 536.416 3.464 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(I)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408770412 1059723600 /nfs/dbraw/zinc/72/36/00/1059723600.db2.gz XESFVJUTIOJMFN-QIPHDZALSA-N 0 0 536.416 3.464 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408770738 1059725393 /nfs/dbraw/zinc/72/53/93/1059725393.db2.gz BSJHNHXWVUVEFS-WQLLJXGDSA-N 0 0 545.386 3.429 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408770739 1059725419 /nfs/dbraw/zinc/72/54/19/1059725419.db2.gz BSJHNHXWVUVEFS-YOGOOIESSA-N 0 0 545.386 3.429 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408771960 1059724848 /nfs/dbraw/zinc/72/48/48/1059724848.db2.gz JIHRNRZPABCSIE-OLROSQPISA-N 0 0 502.951 3.305 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408771965 1059724761 /nfs/dbraw/zinc/72/47/61/1059724761.db2.gz JIHRNRZPABCSIE-ZMUHTPIZSA-N 0 0 502.951 3.305 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408772527 1059724944 /nfs/dbraw/zinc/72/49/44/1059724944.db2.gz MMDYCYRWIYPSAC-OLROSQPISA-N 0 0 547.402 3.414 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408772528 1059724717 /nfs/dbraw/zinc/72/47/17/1059724717.db2.gz MMDYCYRWIYPSAC-ZMUHTPIZSA-N 0 0 547.402 3.414 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408773621 1059724181 /nfs/dbraw/zinc/72/41/81/1059724181.db2.gz VXNNWUZIOWMHBK-AFHVAHMMSA-N 0 0 636.439 3.476 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408773623 1059724050 /nfs/dbraw/zinc/72/40/50/1059724050.db2.gz VXNNWUZIOWMHBK-ZRELAVNMSA-N 0 0 636.439 3.476 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408774371 1059724010 /nfs/dbraw/zinc/72/40/10/1059724010.db2.gz VNTNYBDEDBKJGA-OLROSQPISA-N 0 0 594.402 3.256 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408774375 1059724166 /nfs/dbraw/zinc/72/41/66/1059724166.db2.gz VNTNYBDEDBKJGA-ZMUHTPIZSA-N 0 0 594.402 3.256 40 0 KGABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(c3ccccc3OC)CC2)cc1OC ZINC000408774861 1059021626 /nfs/dbraw/zinc/02/16/26/1059021626.db2.gz YJYSTKHUBCFYGV-UHFFFAOYSA-N 0 0 553.681 3.295 40 0 KGABRN Cc1c(N(CC(=O)NCCc2ccccc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000408776802 1059021590 /nfs/dbraw/zinc/02/15/90/1059021590.db2.gz RLYSAYDMXHHKJD-UHFFFAOYSA-N 0 0 504.612 3.039 40 0 KGABRN COc1ccc(N(CC(=O)N2CCN(c3ccccc3OC)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000408777224 1059723982 /nfs/dbraw/zinc/72/39/82/1059723982.db2.gz WRSKTNIEZHSFCB-UHFFFAOYSA-N 0 0 555.653 3.265 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408777467 1059022214 /nfs/dbraw/zinc/02/22/14/1059022214.db2.gz AAEAUKWQHDWMNP-OLROSQPISA-N 0 0 517.376 3.406 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408777468 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ZINC000408781084 1059728271 /nfs/dbraw/zinc/72/82/71/1059728271.db2.gz RIAXQAKWLSSLDS-YMSBRDKKSA-N 0 0 524.570 3.261 40 0 KGABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000408781127 1059728153 /nfs/dbraw/zinc/72/81/53/1059728153.db2.gz AQGSZQDSHYGZDC-UHFFFAOYSA-N 0 0 523.655 3.286 40 0 KGABRN COc1ccc(OC)c(NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c1 ZINC000408781305 1059728245 /nfs/dbraw/zinc/72/82/45/1059728245.db2.gz BITCNZDKVURRFS-UHFFFAOYSA-N 0 0 536.610 3.336 40 0 KGABRN CCOC(=O)c1ccccc1NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1 ZINC000408781424 1059022554 /nfs/dbraw/zinc/02/25/54/1059022554.db2.gz SFFVIBKXQAMPSA-UHFFFAOYSA-N 0 0 548.621 3.495 40 0 KGABRN CCOC(=O)c1ccc(NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1 ZINC000408782249 1059728032 /nfs/dbraw/zinc/72/80/32/1059728032.db2.gz GKKFNXHKHYVUQG-UHFFFAOYSA-N 0 0 548.621 3.495 40 0 KGABRN COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000408782429 1059022530 /nfs/dbraw/zinc/02/25/30/1059022530.db2.gz IAZSLIAGTAUFSO-UHFFFAOYSA-N 0 0 500.529 3.275 40 0 KGABRN COc1ccc(NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1OC ZINC000408783736 1059730043 /nfs/dbraw/zinc/73/00/43/1059730043.db2.gz QCJOXVOLMYBVIR-UHFFFAOYSA-N 0 0 536.610 3.336 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408784545 1059729475 /nfs/dbraw/zinc/72/94/75/1059729475.db2.gz UJJZVIBIYFTWQX-OLROSQPISA-N 0 0 624.478 3.398 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408784547 1059729963 /nfs/dbraw/zinc/72/99/63/1059729963.db2.gz UJJZVIBIYFTWQX-ZMUHTPIZSA-N 0 0 624.478 3.398 40 0 KGABRN Cc1c(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000408784657 1059729355 /nfs/dbraw/zinc/72/93/55/1059729355.db2.gz VSRKJCCYVOULKC-UHFFFAOYSA-N 0 0 504.612 3.338 40 0 KGABRN COC(=O)c1ccccc1NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1 ZINC000408785462 1059022680 /nfs/dbraw/zinc/02/26/80/1059022680.db2.gz GCRDGAUNABQYSW-UHFFFAOYSA-N 0 0 534.594 3.105 40 0 KGABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408800808 1059023132 /nfs/dbraw/zinc/02/31/32/1059023132.db2.gz REBOQUCFBQXOHD-IBYCJETLSA-N 0 0 568.623 3.278 40 0 KGABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408800812 1059023157 /nfs/dbraw/zinc/02/31/57/1059023157.db2.gz REBOQUCFBQXOHD-OFCKJYIJSA-N 0 0 568.623 3.278 40 0 KGABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccncc4)c(=O)n32)cc1OC ZINC000408806051 1059730505 /nfs/dbraw/zinc/73/05/05/1059730505.db2.gz AJTJAKIOZVHKOM-GJFKPFFXSA-N 0 0 512.591 3.286 40 0 KGABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccncc4)c(=O)n32)cc1OC ZINC000408806052 1059023694 /nfs/dbraw/zinc/02/36/94/1059023694.db2.gz AJTJAKIOZVHKOM-LWUPDDLQSA-N 0 0 512.591 3.286 40 0 KGABRN CCOC(=O)COc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408807390 1059732602 /nfs/dbraw/zinc/73/26/02/1059732602.db2.gz CGOMMCSIRSLFMW-DNQIBQKISA-N 0 0 680.492 3.493 40 0 KGABRN CCOC(=O)COc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408807392 1059023032 /nfs/dbraw/zinc/02/30/32/1059023032.db2.gz CGOMMCSIRSLFMW-NIQJEMAJSA-N 0 0 680.492 3.493 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408807590 1059732622 /nfs/dbraw/zinc/73/26/22/1059732622.db2.gz DJYBMFDAUWFWBY-BXBOZWQASA-N 0 0 538.338 3.135 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408807593 1059023650 /nfs/dbraw/zinc/02/36/50/1059023650.db2.gz DJYBMFDAUWFWBY-QWSHFYNQSA-N 0 0 538.338 3.135 40 0 KGABRN CCOc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)cc(I)c1OCC(N)=O ZINC000408807898 1059732736 /nfs/dbraw/zinc/73/27/36/1059732736.db2.gz LLPKIAYUJXWPER-UHFFFAOYSA-N 0 0 542.350 3.456 40 0 KGABRN 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580.659 3.148 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408821910 1059734983 /nfs/dbraw/zinc/73/49/83/1059734983.db2.gz AHNVFCIXZVEUPK-PRWBYUBPSA-N 0 0 560.413 3.417 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(I)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408821911 1059735037 /nfs/dbraw/zinc/73/50/37/1059735037.db2.gz AHNVFCIXZVEUPK-SRKIZSPNSA-N 0 0 560.413 3.417 40 0 KGABRN COc1ccc(CNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000408822190 1059734853 /nfs/dbraw/zinc/73/48/53/1059734853.db2.gz ICNIAHDPBVALDB-UHFFFAOYSA-N 0 0 500.573 3.233 40 0 KGABRN COc1ccc(CCNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1OC ZINC000408822285 1059734436 /nfs/dbraw/zinc/73/44/36/1059734436.db2.gz KRUPLKYISZWCOB-UHFFFAOYSA-N 0 0 564.664 3.056 40 0 KGABRN COc1ccc(CCNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000408822311 1059734872 /nfs/dbraw/zinc/73/48/72/1059734872.db2.gz KXKHOSRXEYJMJR-UHFFFAOYSA-N 0 0 528.627 3.271 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)cc3O)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408822539 1059734531 /nfs/dbraw/zinc/73/45/31/1059734531.db2.gz CDMUVSDCOVDJTP-IDQDRXHYSA-N 0 0 529.412 3.280 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)cc3O)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408822542 1059024079 /nfs/dbraw/zinc/02/40/79/1059024079.db2.gz CDMUVSDCOVDJTP-KEBMYNNESA-N 0 0 529.412 3.280 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)cc3O)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408823326 1059734382 /nfs/dbraw/zinc/73/43/82/1059734382.db2.gz DXIMQQAEOCEAQV-IDQDRXHYSA-N 0 0 576.412 3.123 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)cc3O)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408823329 1059734458 /nfs/dbraw/zinc/73/44/58/1059734458.db2.gz DXIMQQAEOCEAQV-KEBMYNNESA-N 0 0 576.412 3.123 40 0 KGABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408823484 1059734419 /nfs/dbraw/zinc/73/44/19/1059734419.db2.gz FMZQXYABQNJLOT-DIXABZHVSA-N 0 0 520.607 3.049 40 0 KGABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408823487 1059734491 /nfs/dbraw/zinc/73/44/91/1059734491.db2.gz FMZQXYABQNJLOT-WNRWPCNTSA-N 0 0 520.607 3.049 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408823617 1059733848 /nfs/dbraw/zinc/73/38/48/1059733848.db2.gz FMSBZZXZUAEYPL-IGSWSUAKSA-N 0 0 536.606 3.049 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408823619 1059733787 /nfs/dbraw/zinc/73/37/87/1059733787.db2.gz FMSBZZXZUAEYPL-YMSBRDKKSA-N 0 0 536.606 3.049 40 0 KGABRN CCOC(=O)COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)c1 ZINC000408823721 1059733726 /nfs/dbraw/zinc/73/37/26/1059733726.db2.gz OPEKHPWPHZZVMQ-HZHYMEEXSA-N 0 0 550.633 3.139 40 0 KGABRN CCOC(=O)COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)c1 ZINC000408823723 1059733827 /nfs/dbraw/zinc/73/38/27/1059733827.db2.gz OPEKHPWPHZZVMQ-VFHYMGCCSA-N 0 0 550.633 3.139 40 0 KGABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408823932 1059733808 /nfs/dbraw/zinc/73/38/08/1059733808.db2.gz FXQFXWMLTVEGJN-RJFKIUDMSA-N 0 0 550.633 3.057 40 0 KGABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408823934 1059024181 /nfs/dbraw/zinc/02/41/81/1059024181.db2.gz FXQFXWMLTVEGJN-WPUHHHFCSA-N 0 0 550.633 3.057 40 0 KGABRN CCOC(=O)COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)c1 ZINC000408824089 1059733165 /nfs/dbraw/zinc/73/31/65/1059733165.db2.gz GXSRIGDDXUOFPA-BQKWAYIGSA-N 0 0 520.607 3.049 40 0 KGABRN CCOC(=O)COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)c1 ZINC000408824090 1059024625 /nfs/dbraw/zinc/02/46/25/1059024625.db2.gz GXSRIGDDXUOFPA-GMPUOFRTSA-N 0 0 520.607 3.049 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408824307 1059024272 /nfs/dbraw/zinc/02/42/72/1059024272.db2.gz GRSYICMMEXQXRP-DLBLZJNESA-N 0 0 506.580 3.122 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408824310 1059732565 /nfs/dbraw/zinc/73/25/65/1059732565.db2.gz GRSYICMMEXQXRP-FCKOQQNDSA-N 0 0 506.580 3.122 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)OC)cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408824350 1059024225 /nfs/dbraw/zinc/02/42/25/1059024225.db2.gz ICJOFRPSBORNTJ-RJFKIUDMSA-N 0 0 550.633 3.137 40 0 KGABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408824351 1059733200 /nfs/dbraw/zinc/73/32/00/1059733200.db2.gz GWKQNBNXNFVFSQ-BQKWAYIGSA-N 0 0 550.633 3.057 40 0 KGABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408824352 1059732583 /nfs/dbraw/zinc/73/25/83/1059732583.db2.gz GWKQNBNXNFVFSQ-GMPUOFRTSA-N 0 0 550.633 3.057 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)OC)cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408824353 1059024160 /nfs/dbraw/zinc/02/41/60/1059024160.db2.gz ICJOFRPSBORNTJ-WPUHHHFCSA-N 0 0 550.633 3.137 40 0 KGABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408825046 1059025219 /nfs/dbraw/zinc/02/52/19/1059025219.db2.gz IYMKITHRODTLBV-OBVMJLIASA-N 0 0 571.051 3.402 40 0 KGABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408825047 1059732632 /nfs/dbraw/zinc/73/26/32/1059732632.db2.gz IYMKITHRODTLBV-WNOSOOIWSA-N 0 0 571.051 3.402 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408825125 1059732717 /nfs/dbraw/zinc/73/27/17/1059732717.db2.gz JHUOILGWZDKAPF-NLZIUFDSSA-N 0 0 520.607 3.372 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408825128 1059732696 /nfs/dbraw/zinc/73/26/96/1059732696.db2.gz JHUOILGWZDKAPF-WLGHQHAYSA-N 0 0 520.607 3.372 40 0 KGABRN Cc1ccc(CN(Cc2ccc(/C=c3\sc4n(c3=O)CCN=4)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408826134 1059736253 /nfs/dbraw/zinc/73/62/53/1059736253.db2.gz CAWDBIASOIKNAS-UCQKPKSFSA-N 0 0 528.055 3.318 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC(=O)OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408826822 1059736323 /nfs/dbraw/zinc/73/63/23/1059736323.db2.gz LKQFFKPZDYRURH-GXPYYPFNSA-N 0 0 662.502 3.272 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC(=O)OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408826827 1059736275 /nfs/dbraw/zinc/73/62/75/1059736275.db2.gz LKQFFKPZDYRURH-QYAMMSNYSA-N 0 0 662.502 3.272 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408826903 1059736183 /nfs/dbraw/zinc/73/61/83/1059736183.db2.gz LGTOVLBNFYRYNM-MGSPXPDISA-N 0 0 538.622 3.308 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408826908 1059736208 /nfs/dbraw/zinc/73/62/08/1059736208.db2.gz LGTOVLBNFYRYNM-XPCGLTFESA-N 0 0 538.622 3.308 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408826975 1059024691 /nfs/dbraw/zinc/02/46/91/1059024691.db2.gz LWHZBASMMMQEJB-RJFKIUDMSA-N 0 0 550.633 3.057 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)OC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408826979 1059024559 /nfs/dbraw/zinc/02/45/59/1059024559.db2.gz LWHZBASMMMQEJB-WPUHHHFCSA-N 0 0 550.633 3.057 40 0 KGABRN O=c1/c(=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)sc2n1CCN=2 ZINC000408826982 1059736160 /nfs/dbraw/zinc/73/61/60/1059736160.db2.gz DXILRINMUGOQPL-HMAPJEAMSA-N 0 0 514.028 3.009 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408827715 1059741316 /nfs/dbraw/zinc/74/13/16/1059741316.db2.gz LXSLIEXEKXAGNZ-GXPYYPFNSA-N 0 0 571.051 3.321 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408827718 1059025096 /nfs/dbraw/zinc/02/50/96/1059025096.db2.gz LXSLIEXEKXAGNZ-QYAMMSNYSA-N 0 0 571.051 3.321 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCC(=O)OC)cc3Br)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408829139 1059740822 /nfs/dbraw/zinc/74/08/22/1059740822.db2.gz XECIKHQTFLWZLY-KGONEIDKSA-N 0 0 615.502 3.430 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCC(=O)OC)cc3Br)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408829143 1059740808 /nfs/dbraw/zinc/74/08/08/1059740808.db2.gz XECIKHQTFLWZLY-LWRBDHNKSA-N 0 0 615.502 3.430 40 0 KGABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=c3\sc4n(c3=O)CCCN=4)o2)Cc2ccccc2)cc1 ZINC000408829161 1059740696 /nfs/dbraw/zinc/74/06/96/1059740696.db2.gz OLNOOZWWDDRCEF-JLPGSUDCSA-N 0 0 507.637 3.054 40 0 KGABRN Cc1cc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)ccc1Br ZINC000408829318 1059740839 /nfs/dbraw/zinc/74/08/39/1059740839.db2.gz PBNPTPMKPORUQJ-HSZRJFAPSA-N 0 0 578.510 3.460 40 0 KGABRN Cc1cc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)ccc1Br ZINC000408829321 1059740737 /nfs/dbraw/zinc/74/07/37/1059740737.db2.gz PBNPTPMKPORUQJ-QHCPKHFHSA-N 0 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/nfs/dbraw/zinc/76/06/04/1059760604.db2.gz KSIUWXKIOXEHEQ-UHFFFAOYSA-N 0 0 503.602 3.209 40 0 KGABRN COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1)S(C)(=O)=O ZINC000408925092 1059760674 /nfs/dbraw/zinc/76/06/74/1059760674.db2.gz JBSNAZGDTQGPML-UHFFFAOYSA-N 0 0 503.602 3.209 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408925570 1059760534 /nfs/dbraw/zinc/76/05/34/1059760534.db2.gz SAJFZERXCATLHT-DLBLZJNESA-N 0 0 538.622 3.223 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408925574 1059760707 /nfs/dbraw/zinc/76/07/07/1059760707.db2.gz SAJFZERXCATLHT-FCKOQQNDSA-N 0 0 538.622 3.223 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000408926330 1059759853 /nfs/dbraw/zinc/75/98/53/1059759853.db2.gz MPQZOXKHYCLSAA-JAORQVBISA-N 0 0 559.438 3.284 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000408926331 1059759871 /nfs/dbraw/zinc/75/98/71/1059759871.db2.gz MPQZOXKHYCLSAA-JCAJYURWSA-N 0 0 559.438 3.284 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408926345 1059032748 /nfs/dbraw/zinc/03/27/48/1059032748.db2.gz TXHIMYIYWDOUDG-HSELDNCXSA-N 0 0 542.997 3.198 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408926346 1059003740 /nfs/dbraw/zinc/00/37/40/1059003740.db2.gz TXHIMYIYWDOUDG-OFHGOEMBSA-N 0 0 542.997 3.198 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000408926435 1059032618 /nfs/dbraw/zinc/03/26/18/1059032618.db2.gz NJGPOTQHEFGFEP-AFHVAHMMSA-N 0 0 571.449 3.356 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000408926438 1059033056 /nfs/dbraw/zinc/03/30/56/1059033056.db2.gz NJGPOTQHEFGFEP-ZRELAVNMSA-N 0 0 571.449 3.356 40 0 KGABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000408926503 1059759955 /nfs/dbraw/zinc/75/99/55/1059759955.db2.gz YHIQNJDOKFPRHY-MUUNZHRXSA-N 0 0 658.755 3.329 40 0 KGABRN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)S(C)(=O)=O)c1 ZINC000408926836 1059033127 /nfs/dbraw/zinc/03/31/27/1059033127.db2.gz ROPWQJMFXHQSQJ-UHFFFAOYSA-N 0 0 533.628 3.218 40 0 KGABRN CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(SC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408926894 1059759888 /nfs/dbraw/zinc/75/98/88/1059759888.db2.gz UYKISVWEJNLPHA-BQKWAYIGSA-N 0 0 552.674 3.462 40 0 KGABRN CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(SC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408926899 1059033254 /nfs/dbraw/zinc/03/32/54/1059033254.db2.gz UYKISVWEJNLPHA-GMPUOFRTSA-N 0 0 552.674 3.462 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000408926955 1059759907 /nfs/dbraw/zinc/75/99/07/1059759907.db2.gz NXPNKJURXRHTHA-OWMRDYPQSA-N 0 0 580.400 3.013 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000408926957 1059759832 /nfs/dbraw/zinc/75/98/32/1059759832.db2.gz NXPNKJURXRHTHA-ZZODWALSSA-N 0 0 580.400 3.013 40 0 KGABRN CCOC(=O)COc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408926966 1059033209 /nfs/dbraw/zinc/03/32/09/1059033209.db2.gz OAVSMGOHXYRHFA-RLFCKUQXSA-N 0 0 722.554 3.371 40 0 KGABRN CCOC(=O)COc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408926968 1059760042 /nfs/dbraw/zinc/76/00/42/1059760042.db2.gz OAVSMGOHXYRHFA-XQAWFANUSA-N 0 0 722.554 3.371 40 0 KGABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408927201 1059033618 /nfs/dbraw/zinc/03/36/18/1059033618.db2.gz OUXPBQDSWQZAGV-IBYCJETLSA-N 0 0 556.596 3.379 40 0 KGABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408927206 1059759384 /nfs/dbraw/zinc/75/93/84/1059759384.db2.gz 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/nfs/dbraw/zinc/76/49/90/1059764990.db2.gz QXHFZXNSDUVTOB-FVTDTAELSA-N 0 0 752.580 3.379 40 0 KGABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000408927691 1059764383 /nfs/dbraw/zinc/76/43/83/1059764383.db2.gz ZRBXRDWZZDWLTO-UHFFFAOYSA-N 0 0 503.602 3.209 40 0 KGABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408928326 1059764274 /nfs/dbraw/zinc/76/42/74/1059764274.db2.gz ZYOIEZMTYFIINX-KLKBWYFJSA-N 0 0 580.659 3.148 40 0 KGABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408928327 1059033985 /nfs/dbraw/zinc/03/39/85/1059033985.db2.gz ZYOIEZMTYFIINX-LKWZWFHSSA-N 0 0 580.659 3.148 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4c[nH]c5ccccc45)c(=O)n32)cc1OCC ZINC000408932181 1059035146 /nfs/dbraw/zinc/03/51/46/1059035146.db2.gz BLZFBNDHWQWAAI-HYIDZWCSSA-N 0 0 503.580 3.297 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4c[nH]c5ccccc45)c(=O)n32)cc1OCC ZINC000408932182 1059035191 /nfs/dbraw/zinc/03/51/91/1059035191.db2.gz BLZFBNDHWQWAAI-XKKBFUJGSA-N 0 0 503.580 3.297 40 0 KGABRN CCOC(=O)COc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408932189 1059769657 /nfs/dbraw/zinc/76/96/57/1059769657.db2.gz BNFQVHRIRBFTSB-NFYDWNOTSA-N 0 0 631.103 3.419 40 0 KGABRN CCOC(=O)COc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408932190 1059769743 /nfs/dbraw/zinc/76/97/43/1059769743.db2.gz BNFQVHRIRBFTSB-ZFWDJNJRSA-N 0 0 631.103 3.419 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)ccc4O)c(=O)n32)cc1OCC ZINC000408932240 1059769638 /nfs/dbraw/zinc/76/96/38/1059769638.db2.gz BQYXBOOEHZLKER-BYUJNSPJSA-N 0 0 514.987 3.175 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)ccc4O)c(=O)n32)cc1OCC ZINC000408932241 1059769689 /nfs/dbraw/zinc/76/96/89/1059769689.db2.gz BQYXBOOEHZLKER-ZAAFRKLLSA-N 0 0 514.987 3.175 40 0 KGABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1I ZINC000408932273 1059003782 /nfs/dbraw/zinc/00/37/82/1059003782.db2.gz BUGZKDHFTKIGDQ-NFYDWNOTSA-N 0 0 692.528 3.362 40 0 KGABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1I ZINC000408932275 1059035312 /nfs/dbraw/zinc/03/53/12/1059035312.db2.gz BUGZKDHFTKIGDQ-ZFWDJNJRSA-N 0 0 692.528 3.362 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC)c(C)c4)c(=O)n32)cc1OCC ZINC000408932521 1059035169 /nfs/dbraw/zinc/03/51/69/1059035169.db2.gz CXIVTFZKAJXLMU-HYIDZWCSSA-N 0 0 508.596 3.133 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC)c(C)c4)c(=O)n32)cc1OCC ZINC000408932522 1059003805 /nfs/dbraw/zinc/00/38/05/1059003805.db2.gz CXIVTFZKAJXLMU-XKKBFUJGSA-N 0 0 508.596 3.133 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)OC)c(Br)c4)c(=O)n32)cc1OCC ZINC000408932648 1059035381 /nfs/dbraw/zinc/03/53/81/1059035381.db2.gz DEIRKTWUNFMPNG-UTWPHBJQSA-N 0 0 631.501 3.130 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)OC)c(Br)c4)c(=O)n32)cc1OCC ZINC000408932649 1059769059 /nfs/dbraw/zinc/76/90/59/1059769059.db2.gz DEIRKTWUNFMPNG-VPVLBGOXSA-N 0 0 631.501 3.130 40 0 KGABRN CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408932707 1059035340 /nfs/dbraw/zinc/03/53/40/1059035340.db2.gz DQPGRODTURNXII-KXERKJKRSA-N 0 0 538.622 3.223 40 0 KGABRN CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408932708 1059035685 /nfs/dbraw/zinc/03/56/85/1059035685.db2.gz DQPGRODTURNXII-RVEICJNFSA-N 0 0 538.622 3.223 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc5c(cc4Br)OCO5)c(=O)n32)cc1OCC ZINC000408932919 1059769075 /nfs/dbraw/zinc/76/90/75/1059769075.db2.gz FSCJETFBKNFIKH-CASQEFTMSA-N 0 0 587.448 3.307 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc5c(cc4Br)OCO5)c(=O)n32)cc1OCC ZINC000408932920 1059769189 /nfs/dbraw/zinc/76/91/89/1059769189.db2.gz FSCJETFBKNFIKH-YBPDTJHLSA-N 0 0 587.448 3.307 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(N(CC)CC)o4)c(=O)n32)cc1OCC ZINC000408933030 1059769130 /nfs/dbraw/zinc/76/91/30/1059769130.db2.gz GUUTXKQHHCJDMS-DLBLZJNESA-N 0 0 525.627 3.255 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(N(CC)CC)o4)c(=O)n32)cc1OCC ZINC000408933031 1059003761 /nfs/dbraw/zinc/00/37/61/1059003761.db2.gz GUUTXKQHHCJDMS-FCKOQQNDSA-N 0 0 525.627 3.255 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC)c(I)c4)c(=O)n32)cc1OCC ZINC000408933064 1059768533 /nfs/dbraw/zinc/76/85/33/1059768533.db2.gz HDYQZKFBQDSYAZ-HIFDDZRDSA-N 0 0 620.465 3.429 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC)c(I)c4)c(=O)n32)cc1OCC ZINC000408933065 1059004227 /nfs/dbraw/zinc/00/42/27/1059004227.db2.gz HDYQZKFBQDSYAZ-TYBHGIAWSA-N 0 0 620.465 3.429 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(N5CCCCC5)o4)c(=O)n32)cc1OCC ZINC000408933238 1059004250 /nfs/dbraw/zinc/00/42/50/1059004250.db2.gz IRPZIYABUWHSQR-QKSFETHESA-N 0 0 537.638 3.399 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(N5CCCCC5)o4)c(=O)n32)cc1OCC ZINC000408933239 1059768593 /nfs/dbraw/zinc/76/85/93/1059768593.db2.gz IRPZIYABUWHSQR-ZDQFFALBSA-N 0 0 537.638 3.399 40 0 KGABRN CCOC(=O)Cn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)c2ccccc21 ZINC000408933310 1059034490 /nfs/dbraw/zinc/03/44/90/1059034490.db2.gz AMZVFKANNIOLQY-JBDHCHCMSA-N 0 0 589.670 3.333 40 0 KGABRN CCOC(=O)Cn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)c2ccccc21 ZINC000408933311 1059768513 /nfs/dbraw/zinc/76/85/13/1059768513.db2.gz AMZVFKANNIOLQY-PIXWUVMMSA-N 0 0 589.670 3.333 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(I)o4)c(=O)n32)cc1OCC ZINC000408933449 1059768552 /nfs/dbraw/zinc/76/85/52/1059768552.db2.gz JRPMGBMCCZIRKH-OLROSQPISA-N 0 0 580.400 3.013 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(I)o4)c(=O)n32)cc1OCC ZINC000408933450 1059768381 /nfs/dbraw/zinc/76/83/81/1059768381.db2.gz JRPMGBMCCZIRKH-ZMUHTPIZSA-N 0 0 580.400 3.013 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(O)c(Br)c4)c(=O)n32)cc1OCC ZINC000408933654 1059767696 /nfs/dbraw/zinc/76/76/96/1059767696.db2.gz JSKQCMVPXFAKNF-PBDXZUMESA-N 0 0 559.438 3.284 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(O)c(Br)c4)c(=O)n32)cc1OCC ZINC000408933655 1059767791 /nfs/dbraw/zinc/76/77/91/1059767791.db2.gz JSKQCMVPXFAKNF-ZXJHQIPZSA-N 0 0 559.438 3.284 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(O)c(OC)c4)c(=O)n32)cc1OCC ZINC000408933659 1059768431 /nfs/dbraw/zinc/76/84/31/1059768431.db2.gz JSYGHKBPMQZITF-PBDXZUMESA-N 0 0 545.013 3.183 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(O)c(OC)c4)c(=O)n32)cc1OCC ZINC000408933660 1059034406 /nfs/dbraw/zinc/03/44/06/1059034406.db2.gz JSYGHKBPMQZITF-ZXJHQIPZSA-N 0 0 545.013 3.183 40 0 KGABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408933957 1059034338 /nfs/dbraw/zinc/03/43/38/1059034338.db2.gz BWDZRPIHHCPMAT-IYMWYRQMSA-N 0 0 514.987 3.087 40 0 KGABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408933958 1059034303 /nfs/dbraw/zinc/03/43/03/1059034303.db2.gz BWDZRPIHHCPMAT-VMOHIOPYSA-N 0 0 514.987 3.087 40 0 KGABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(N(C)C)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408933994 1059034453 /nfs/dbraw/zinc/03/44/53/1059034453.db2.gz CDVGTJCLOZCLPY-DDYRAIOVSA-N 0 0 566.861 3.492 40 0 KGABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(N(C)C)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408933996 1059034381 /nfs/dbraw/zinc/03/43/81/1059034381.db2.gz CDVGTJCLOZCLPY-WSDUQJHMSA-N 0 0 566.861 3.492 40 0 KGABRN CCOC(=O)COc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408934006 1059764963 /nfs/dbraw/zinc/76/49/63/1059764963.db2.gz CEQRNADTBPHWRJ-NFYDWNOTSA-N 0 0 722.554 3.371 40 0 KGABRN CCOC(=O)COc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408934009 1059034511 /nfs/dbraw/zinc/03/45/11/1059034511.db2.gz CEQRNADTBPHWRJ-ZFWDJNJRSA-N 0 0 722.554 3.371 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(O)c(I)c4)c(=O)n32)cc1OCC ZINC000408934162 1059765474 /nfs/dbraw/zinc/76/54/74/1059765474.db2.gz LLOPEQBJLFBWSU-PBDXZUMESA-N 0 0 606.438 3.126 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(O)c(I)c4)c(=O)n32)cc1OCC ZINC000408934164 1059034722 /nfs/dbraw/zinc/03/47/22/1059034722.db2.gz LLOPEQBJLFBWSU-ZXJHQIPZSA-N 0 0 606.438 3.126 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(Br)o4)c(=O)n32)cc1OCC ZINC000408934509 1059767850 /nfs/dbraw/zinc/76/78/50/1059767850.db2.gz LTGRSHBPHIOZDI-OLROSQPISA-N 0 0 533.400 3.171 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(Br)o4)c(=O)n32)cc1OCC ZINC000408934512 1059767895 /nfs/dbraw/zinc/76/78/95/1059767895.db2.gz LTGRSHBPHIOZDI-ZMUHTPIZSA-N 0 0 533.400 3.171 40 0 KGABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408934629 1059767759 /nfs/dbraw/zinc/76/77/59/1059767759.db2.gz CRYOITLLVNCPGN-BFHGZXLWSA-N 0 0 505.379 3.429 40 0 KGABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3O)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408934637 1059767876 /nfs/dbraw/zinc/76/78/76/1059767876.db2.gz CRYOITLLVNCPGN-FUJWGRRUSA-N 0 0 505.379 3.429 40 0 KGABRN COC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)cc(OC)cc3OC)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408934676 1059767829 /nfs/dbraw/zinc/76/78/29/1059767829.db2.gz CSUQLKQHDQEPSC-JUTHHCEFSA-N 0 0 545.013 3.096 40 0 KGABRN COC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)cc(OC)cc3OC)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408934681 1059767732 /nfs/dbraw/zinc/76/77/32/1059767732.db2.gz CSUQLKQHDQEPSC-VVOOWDFBSA-N 0 0 545.013 3.096 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC)cc4C)c(=O)n32)cc1OCC ZINC000408934741 1059034908 /nfs/dbraw/zinc/03/49/08/1059034908.db2.gz MIBFFHJJSXPUGJ-BJYRUZDYSA-N 0 0 508.596 3.133 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC)cc4C)c(=O)n32)cc1OCC ZINC000408934744 1059767909 /nfs/dbraw/zinc/76/79/09/1059767909.db2.gz MIBFFHJJSXPUGJ-JXCKLXDISA-N 0 0 508.596 3.133 40 0 KGABRN CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1cc(Cl)ccc1OC)C(C(=O)OC)=C(C)N=2 ZINC000408934810 1059034870 /nfs/dbraw/zinc/03/48/70/1059034870.db2.gz DBIVNEJOPGDGCV-MVQVQHCTSA-N 0 0 557.024 3.012 40 0 KGABRN CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1cc(Cl)ccc1OC)C(C(=O)OC)=C(C)N=2 ZINC000408934811 1059767128 /nfs/dbraw/zinc/76/71/28/1059767128.db2.gz DBIVNEJOPGDGCV-NYIUWGNGSA-N 0 0 557.024 3.012 40 0 KGABRN CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cccc1OC ZINC000408934817 1059034950 /nfs/dbraw/zinc/03/49/50/1059034950.db2.gz DCUCXIVNGLLHKA-AFHVAHMMSA-N 0 0 529.014 3.478 40 0 KGABRN CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cccc1OC ZINC000408934818 1059034928 /nfs/dbraw/zinc/03/49/28/1059034928.db2.gz DCUCXIVNGLLHKA-ZRELAVNMSA-N 0 0 529.014 3.478 40 0 KGABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408934837 1059034888 /nfs/dbraw/zinc/03/48/88/1059034888.db2.gz DIKLCXAFAZWMAN-JAORQVBISA-N 0 0 608.898 3.262 40 0 KGABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408934838 1059004156 /nfs/dbraw/zinc/00/41/56/1059004156.db2.gz DIKLCXAFAZWMAN-JCAJYURWSA-N 0 0 608.898 3.262 40 0 KGABRN CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408934841 1059767215 /nfs/dbraw/zinc/76/72/15/1059767215.db2.gz DJGLFMBTJRARDF-BCGDRIGESA-N 0 0 508.596 3.214 40 0 KGABRN CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408934842 1059767229 /nfs/dbraw/zinc/76/72/29/1059767229.db2.gz DJGLFMBTJRARDF-CRYHJCRISA-N 0 0 508.596 3.214 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408935850 1059766692 /nfs/dbraw/zinc/76/66/92/1059766692.db2.gz OHYFXIQVDIFHIK-HIFDDZRDSA-N 0 0 650.491 3.437 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408935851 1059035237 /nfs/dbraw/zinc/03/52/37/1059035237.db2.gz OHYFXIQVDIFHIK-TYBHGIAWSA-N 0 0 650.491 3.437 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(O)c(OC)c4)c(=O)n32)cc1OCC ZINC000408936156 1059766230 /nfs/dbraw/zinc/76/62/30/1059766230.db2.gz ONMCBDVYWYNOOA-PBDXZUMESA-N 0 0 589.464 3.292 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(O)c(OC)c4)c(=O)n32)cc1OCC ZINC000408936159 1059766033 /nfs/dbraw/zinc/76/60/33/1059766033.db2.gz ONMCBDVYWYNOOA-ZXJHQIPZSA-N 0 0 589.464 3.292 40 0 KGABRN CCOc1cccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)c1 ZINC000408936740 1059765657 /nfs/dbraw/zinc/76/56/57/1059765657.db2.gz FWGGSESVLKKSBE-AKKXDVJXSA-N 0 0 508.596 3.214 40 0 KGABRN CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)c1 ZINC000408936741 1059765547 /nfs/dbraw/zinc/76/55/47/1059765547.db2.gz FWGGSESVLKKSBE-PQBKBUHISA-N 0 0 508.596 3.214 40 0 KGABRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)ccc1O ZINC000408936802 1059765437 /nfs/dbraw/zinc/76/54/37/1059765437.db2.gz GCSXZLQYXCRDRV-IYMWYRQMSA-N 0 0 514.987 3.175 40 0 KGABRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)ccc1O ZINC000408936803 1059766126 /nfs/dbraw/zinc/76/61/26/1059766126.db2.gz GCSXZLQYXCRDRV-VMOHIOPYSA-N 0 0 514.987 3.175 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cccc(I)c4)c(=O)n32)cc1OCC ZINC000408936811 1059766148 /nfs/dbraw/zinc/76/61/48/1059766148.db2.gz GEXKENIALQLXRY-BYUJNSPJSA-N 0 0 590.439 3.420 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cccc(I)c4)c(=O)n32)cc1OCC ZINC000408936812 1059766186 /nfs/dbraw/zinc/76/61/86/1059766186.db2.gz GEXKENIALQLXRY-ZAAFRKLLSA-N 0 0 590.439 3.420 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCC(=O)OC)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408937640 1059782354 /nfs/dbraw/zinc/78/23/54/1059782354.db2.gz HBNAOJMAEWWHSX-NFYDWNOTSA-N 0 0 722.554 3.371 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCC(=O)OC)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408937641 1059783039 /nfs/dbraw/zinc/78/30/39/1059783039.db2.gz HBNAOJMAEWWHSX-ZFWDJNJRSA-N 0 0 722.554 3.371 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCC(=O)OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408937989 1059037066 /nfs/dbraw/zinc/03/70/66/1059037066.db2.gz RIMIQMINZXAYLE-UTWPHBJQSA-N 0 0 661.527 3.138 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCC(=O)OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408937991 1059782463 /nfs/dbraw/zinc/78/24/63/1059782463.db2.gz RIMIQMINZXAYLE-VPVLBGOXSA-N 0 0 661.527 3.138 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408938163 1059781749 /nfs/dbraw/zinc/78/17/49/1059781749.db2.gz RXFNKZBAFPDUJO-HIFDDZRDSA-N 0 0 559.040 3.486 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408938167 1059036968 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/nfs/dbraw/zinc/78/00/53/1059780053.db2.gz SWAVVBLSHSWLPZ-UTWPHBJQSA-N 0 0 617.076 3.029 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC(=O)OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408939540 1059036234 /nfs/dbraw/zinc/03/62/34/1059036234.db2.gz SWAVVBLSHSWLPZ-VPVLBGOXSA-N 0 0 617.076 3.029 40 0 KGABRN CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1 ZINC000408939777 1059779600 /nfs/dbraw/zinc/77/96/00/1059779600.db2.gz UIKUJADMAMCXJP-BJYRUZDYSA-N 0 0 508.596 3.214 40 0 KGABRN CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1 ZINC000408939780 1059036054 /nfs/dbraw/zinc/03/60/54/1059036054.db2.gz UIKUJADMAMCXJP-JXCKLXDISA-N 0 0 508.596 3.214 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc5c(cc4Cl)OCO5)c(=O)n32)cc1OCC ZINC000408939862 1059036150 /nfs/dbraw/zinc/03/61/50/1059036150.db2.gz IOLWRUBAAQDSDT-CASQEFTMSA-N 0 0 542.997 3.198 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc5c(cc4Cl)OCO5)c(=O)n32)cc1OCC 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/nfs/dbraw/zinc/82/89/05/1059828905.db2.gz QJBYPNHOFCVEAC-ZDGAQAAHSA-N 0 0 581.094 3.431 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCC(=O)OC)cc3Br)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409035981 1059053057 /nfs/dbraw/zinc/05/30/57/1059053057.db2.gz KUDHBHBPQQXUGF-IXKOTSKLSA-N 0 0 733.590 3.072 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCC(=O)OC)cc3Br)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409035987 1059828636 /nfs/dbraw/zinc/82/86/36/1059828636.db2.gz KUDHBHBPQQXUGF-NKRVQNRKSA-N 0 0 733.590 3.072 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(C(=O)OC)cc4)c(=O)n32)cc1 ZINC000409036093 1059828541 /nfs/dbraw/zinc/82/85/41/1059828541.db2.gz KMFHRCNFESKQEP-NLZIUFDSSA-N 0 0 520.607 3.372 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(C(=O)OC)cc4)c(=O)n32)cc1 ZINC000409036094 1059828594 /nfs/dbraw/zinc/82/85/94/1059828594.db2.gz KMFHRCNFESKQEP-WLGHQHAYSA-N 0 0 520.607 3.372 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036114 1059828569 /nfs/dbraw/zinc/82/85/69/1059828569.db2.gz KQBMCTZJQUVWDQ-VZFFITARSA-N 0 0 722.554 3.371 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(OC)c3OC)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036115 1059828518 /nfs/dbraw/zinc/82/85/18/1059828518.db2.gz KQBMCTZJQUVWDQ-WCDDXEHASA-N 0 0 722.554 3.371 40 0 KGABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000409036244 1059828055 /nfs/dbraw/zinc/82/80/55/1059828055.db2.gz BDCYJIPKUGOLPZ-FWEPQSEOSA-N 0 0 764.591 3.295 40 0 KGABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000409036245 1059828017 /nfs/dbraw/zinc/82/80/17/1059828017.db2.gz BDCYJIPKUGOLPZ-GVEDRGFISA-N 0 0 764.591 3.295 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OC)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036424 1059827983 /nfs/dbraw/zinc/82/79/83/1059827983.db2.gz RIMOIIMDMKKGOJ-QTQKINJDSA-N 0 0 601.077 3.411 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OC)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036427 1059827929 /nfs/dbraw/zinc/82/79/29/1059827929.db2.gz RIMOIIMDMKKGOJ-ZKZBLMLZSA-N 0 0 601.077 3.411 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036464 1059827897 /nfs/dbraw/zinc/82/78/97/1059827897.db2.gz RLNGFAZDFILYJT-JEYMYLTASA-N 0 0 750.564 3.287 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036468 1059052928 /nfs/dbraw/zinc/05/29/28/1059052928.db2.gz RLNGFAZDFILYJT-JSXXSUDDSA-N 0 0 750.564 3.287 40 0 KGABRN CCOC(=O)COc1c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000409036481 1059828132 /nfs/dbraw/zinc/82/81/32/1059828132.db2.gz RNAGGIWICUJKOO-RJJSRPFSSA-N 0 0 747.617 3.462 40 0 KGABRN CCOC(=O)COc1c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000409036485 1059827866 /nfs/dbraw/zinc/82/78/66/1059827866.db2.gz RNAGGIWICUJKOO-XQYVJAMISA-N 0 0 747.617 3.462 40 0 KGABRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Cl)c1OCC(=O)OC ZINC000409036602 1059827476 /nfs/dbraw/zinc/82/74/76/1059827476.db2.gz LTTSDQYVBXDUKE-OBVMJLIASA-N 0 0 571.051 3.402 40 0 KGABRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Cl)c1OCC(=O)OC ZINC000409036604 1059052951 /nfs/dbraw/zinc/05/29/51/1059052951.db2.gz LTTSDQYVBXDUKE-WNOSOOIWSA-N 0 0 571.051 3.402 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036605 1059053082 /nfs/dbraw/zinc/05/30/82/1059053082.db2.gz RYGGLEOMSIBKDL-AOLPSBPOSA-N 0 0 571.051 3.402 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409036607 1059827306 /nfs/dbraw/zinc/82/73/06/1059827306.db2.gz RYGGLEOMSIBKDL-QDNAUZDWSA-N 0 0 571.051 3.402 40 0 KGABRN CCN1C(=O)/C(=C/c2cc(I)cc(I)c2O)N(C)C1=S ZINC000409036836 1059053175 /nfs/dbraw/zinc/05/31/75/1059053175.db2.gz BSOHPQSARLDXMF-YHYXMXQVSA-N 0 0 514.126 3.021 40 0 KGABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000409037115 1059053601 /nfs/dbraw/zinc/05/36/01/1059053601.db2.gz SFDQTSXPWDVLIV-UYPUFUIXSA-N 0 0 682.748 3.089 40 0 KGABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000409037119 1059053582 /nfs/dbraw/zinc/05/35/82/1059053582.db2.gz SFDQTSXPWDVLIV-ZXBOYQIHSA-N 0 0 682.748 3.089 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(I)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037136 1059053546 /nfs/dbraw/zinc/05/35/46/1059053546.db2.gz SGNAKPJCESJRIC-AOLPSBPOSA-N 0 0 662.502 3.353 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037139 1059053412 /nfs/dbraw/zinc/05/34/12/1059053412.db2.gz SGNAKPJCESJRIC-QDNAUZDWSA-N 0 0 662.502 3.353 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(C)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037171 1059826154 /nfs/dbraw/zinc/82/61/54/1059826154.db2.gz XVRIMMDOQLIECK-CJIXEESDSA-N 0 0 580.659 3.066 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(C)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037173 1059826275 /nfs/dbraw/zinc/82/62/75/1059826275.db2.gz XVRIMMDOQLIECK-ZDZYTSRMSA-N 0 0 580.659 3.066 40 0 KGABRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OC(C)=O ZINC000409037246 1059826796 /nfs/dbraw/zinc/82/67/96/1059826796.db2.gz SVUJOGZLGHPVAM-NLZIUFDSSA-N 0 0 506.580 3.122 40 0 KGABRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OC(C)=O ZINC000409037247 1059053459 /nfs/dbraw/zinc/05/34/59/1059053459.db2.gz SVUJOGZLGHPVAM-WLGHQHAYSA-N 0 0 506.580 3.122 40 0 KGABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)cc(OC)c3O)sc2=N1 ZINC000409037257 1059826822 /nfs/dbraw/zinc/82/68/22/1059826822.db2.gz MITROMILKOWVID-OLROSQPISA-N 0 0 529.412 3.275 40 0 KGABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)cc(OC)c3O)sc2=N1 ZINC000409037259 1059053563 /nfs/dbraw/zinc/05/35/63/1059053563.db2.gz MITROMILKOWVID-ZMUHTPIZSA-N 0 0 529.412 3.275 40 0 KGABRN CCOC(=O)Cn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)c2ccccc21 ZINC000409037325 1059838479 /nfs/dbraw/zinc/83/84/79/1059838479.db2.gz MZZIJAHPVQFYMA-RJFKIUDMSA-N 0 0 529.618 3.316 40 0 KGABRN CCOC(=O)Cn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)c2ccccc21 ZINC000409037326 1059838388 /nfs/dbraw/zinc/83/83/88/1059838388.db2.gz MZZIJAHPVQFYMA-WPUHHHFCSA-N 0 0 529.618 3.316 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037416 1059838450 /nfs/dbraw/zinc/83/84/50/1059838450.db2.gz NMYJLTLDJIULBM-NQDYMZAQSA-N 0 0 631.501 3.217 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037418 1059838419 /nfs/dbraw/zinc/83/84/19/1059838419.db2.gz NMYJLTLDJIULBM-RTOMEVGKSA-N 0 0 631.501 3.217 40 0 KGABRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(OC)c4O)c(=O)n32)cc1 ZINC000409037452 1059837873 /nfs/dbraw/zinc/83/78/73/1059837873.db2.gz CNHMZUMWNOKZOE-XOYGFPHKSA-N 0 0 508.596 3.300 40 0 KGABRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(OC)c4O)c(=O)n32)cc1 ZINC000409037453 1059053483 /nfs/dbraw/zinc/05/34/83/1059053483.db2.gz CNHMZUMWNOKZOE-YJADQXIJSA-N 0 0 508.596 3.300 40 0 KGABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000409037717 1059838030 /nfs/dbraw/zinc/83/80/30/1059838030.db2.gz YOHLTDNBXLLNFB-FWEPQSEOSA-N 0 0 717.591 3.453 40 0 KGABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000409037718 1059053435 /nfs/dbraw/zinc/05/34/35/1059053435.db2.gz YOHLTDNBXLLNFB-GVEDRGFISA-N 0 0 717.591 3.453 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037723 1059837830 /nfs/dbraw/zinc/83/78/30/1059837830.db2.gz YQOZITSAXPWTNA-KLKBWYFJSA-N 0 0 580.659 3.066 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409037724 1059837894 /nfs/dbraw/zinc/83/78/94/1059837894.db2.gz YQOZITSAXPWTNA-LKWZWFHSSA-N 0 0 580.659 3.066 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409038056 1059837974 /nfs/dbraw/zinc/83/79/74/1059837974.db2.gz UNEFRTYJAZEYRZ-KLKBWYFJSA-N 0 0 580.659 3.148 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409038059 1059837852 /nfs/dbraw/zinc/83/78/52/1059837852.db2.gz UNEFRTYJAZEYRZ-LKWZWFHSSA-N 0 0 580.659 3.148 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409038180 1059051947 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OCC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000409161563 1059908536 /nfs/dbraw/zinc/90/85/36/1059908536.db2.gz VRVZLQGYXMFTMU-WALVNQSHSA-N 0 0 581.716 3.260 40 0 KGABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409161586 1059908466 /nfs/dbraw/zinc/90/84/66/1059908466.db2.gz WDFWESKVGCTSQE-CTHKJOMYSA-N 0 0 648.782 3.131 40 0 KGABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409161587 1059908484 /nfs/dbraw/zinc/90/84/84/1059908484.db2.gz WDFWESKVGCTSQE-FABFSAKGSA-N 0 0 648.782 3.131 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(F)F)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409161808 1059908073 /nfs/dbraw/zinc/90/80/73/1059908073.db2.gz ZIZAMUNRZVDHLE-JGZDWKDESA-N 0 0 560.575 3.426 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(F)F)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409161811 1059908575 /nfs/dbraw/zinc/90/85/75/1059908575.db2.gz ZIZAMUNRZVDHLE-WYWXSHKMSA-N 0 0 560.575 3.426 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C3\c4cc(Br)ccc4N(CC)C3=O)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409162052 1059907901 /nfs/dbraw/zinc/90/79/01/1059907901.db2.gz QRTWCAQTMITOLB-AYWGPLOBSA-N 0 0 612.502 3.315 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C3\c4cc(Br)ccc4N(CC)C3=O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409162055 1059907998 /nfs/dbraw/zinc/90/79/98/1059907998.db2.gz QRTWCAQTMITOLB-ZHHPLPSFSA-N 0 0 612.502 3.315 40 0 KGABRN COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/c5ccccc5N(C(C)C)C4=O)c(=O)n32)c1 ZINC000409162176 1059908040 /nfs/dbraw/zinc/90/80/40/1059908040.db2.gz SNDIFWDKOADSSK-MYXKAAJQSA-N 0 0 531.634 3.321 40 0 KGABRN COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/c5ccccc5N(C(C)C)C4=O)c(=O)n32)c1 ZINC000409162177 1059907922 /nfs/dbraw/zinc/90/79/22/1059907922.db2.gz SNDIFWDKOADSSK-QQYUXEJHSA-N 0 0 531.634 3.321 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCCC4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409162242 1059062270 /nfs/dbraw/zinc/06/22/70/1059062270.db2.gz YVKHYBCGIPGJMM-CWPZDHDOSA-N 0 0 614.724 3.393 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCCC4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409162243 1059062202 /nfs/dbraw/zinc/06/22/02/1059062202.db2.gz YVKHYBCGIPGJMM-JGAIACPSSA-N 0 0 614.724 3.393 40 0 KGABRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCC(=O)N5CCCC5)cc4)c(=O)n32)cc1 ZINC000409162264 1059907941 /nfs/dbraw/zinc/90/79/41/1059907941.db2.gz ZEVSLYNQQGVWJE-DBLMTGOPSA-N 0 0 575.687 3.197 40 0 KGABRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCC(=O)N5CCCC5)cc4)c(=O)n32)cc1 ZINC000409162265 1059907962 /nfs/dbraw/zinc/90/79/62/1059907962.db2.gz ZEVSLYNQQGVWJE-GKKFRVOYSA-N 0 0 575.687 3.197 40 0 KGABRN Cc1cc(I)ccc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2)n1C ZINC000409162307 1059908056 /nfs/dbraw/zinc/90/80/56/1059908056.db2.gz ZUWKFVFYNNZKKC-UHFFFAOYSA-N 0 0 521.384 3.389 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C3\c4cc(Br)ccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409162324 1059007111 /nfs/dbraw/zinc/00/71/11/1059007111.db2.gz UBRIBWQZLJSTFB-HOGKFDNTSA-N 0 0 596.459 3.026 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C3\c4cc(Br)ccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409162325 1059907979 /nfs/dbraw/zinc/90/79/79/1059907979.db2.gz UBRIBWQZLJSTFB-MOBKVPTQSA-N 0 0 596.459 3.026 40 0 KGABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OCC(=O)N5CCOCC5)cc4)c(=O)n32)c(OC)c1 ZINC000409162412 1059908025 /nfs/dbraw/zinc/90/80/25/1059908025.db2.gz DRGFIMSKXIWHQS-DFXMODJXSA-N 0 0 654.745 3.129 40 0 KGABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OCC(=O)N5CCOCC5)cc4)c(=O)n32)c(OC)c1 ZINC000409162414 1059907388 /nfs/dbraw/zinc/90/73/88/1059907388.db2.gz DRGFIMSKXIWHQS-DTDQMKFYSA-N 0 0 654.745 3.129 40 0 KGABRN COc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCc4ccc5c(c4)OCO5)CC3=O)cc2)cc1 ZINC000409162457 1059907489 /nfs/dbraw/zinc/90/74/89/1059907489.db2.gz FEBUHGLUKQDLPA-IBGZPJMESA-N 0 0 517.538 3.111 40 0 KGABRN COc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCc4ccc5c(c4)OCO5)CC3=O)cc2)cc1 ZINC000409162459 1059062224 /nfs/dbraw/zinc/06/22/24/1059062224.db2.gz FEBUHGLUKQDLPA-LJQANCHMSA-N 0 0 517.538 3.111 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409162555 1059907352 /nfs/dbraw/zinc/90/73/52/1059907352.db2.gz FWOCXXGBTVXTQY-DLJDGCESSA-N 0 0 679.593 3.383 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409162557 1059907409 /nfs/dbraw/zinc/90/74/09/1059907409.db2.gz FWOCXXGBTVXTQY-ZKEKZPBLSA-N 0 0 679.593 3.383 40 0 KGABRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C3\c4ccccc4N(CC)C3=O)sc2=N1 ZINC000409162655 1059907513 /nfs/dbraw/zinc/90/75/13/1059907513.db2.gz YFOCZZDUZHLFEF-RITGCEONSA-N 0 0 561.660 3.332 40 0 KGABRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C3\c4ccccc4N(CC)C3=O)sc2=N1 ZINC000409162657 1059907370 /nfs/dbraw/zinc/90/73/70/1059907370.db2.gz YFOCZZDUZHLFEF-SPICPHANSA-N 0 0 561.660 3.332 40 0 KGABRN COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/c5ccccc5N(C(C)C)C4=O)c(=O)n32)c1 ZINC000409162749 1059906796 /nfs/dbraw/zinc/90/67/96/1059906796.db2.gz ZVGYWBBJYYZGAT-ULWNEYHBSA-N 0 0 561.660 3.329 40 0 KGABRN COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/c5ccccc5N(C(C)C)C4=O)c(=O)n32)c1 ZINC000409162750 1059906914 /nfs/dbraw/zinc/90/69/14/1059906914.db2.gz ZVGYWBBJYYZGAT-ZCCPQQFYSA-N 0 0 561.660 3.329 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C3\c4cc(Br)ccc4N(CC)C3=O)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409162751 1059907429 /nfs/dbraw/zinc/90/74/29/1059907429.db2.gz ZYBHKEZXVDZENX-DYDJWCHCSA-N 0 0 642.528 3.323 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C3\c4cc(Br)ccc4N(CC)C3=O)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409162752 1059907467 /nfs/dbraw/zinc/90/74/67/1059907467.db2.gz ZYBHKEZXVDZENX-QVDHCRFMSA-N 0 0 642.528 3.323 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(F)F)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409162768 1059907446 /nfs/dbraw/zinc/90/74/46/1059907446.db2.gz HNYAFLCAGMIUHK-IMEWXKHHSA-N 0 0 530.549 3.417 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(F)F)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409162769 1059907331 /nfs/dbraw/zinc/90/73/31/1059907331.db2.gz HNYAFLCAGMIUHK-WVWKGNOCSA-N 0 0 530.549 3.417 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCCC4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000409162907 1059906851 /nfs/dbraw/zinc/90/68/51/1059906851.db2.gz JLFRGTBVFMHKBO-CWPZDHDOSA-N 0 0 614.724 3.393 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCCC4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000409162908 1059906891 /nfs/dbraw/zinc/90/68/91/1059906891.db2.gz JLFRGTBVFMHKBO-JGAIACPSSA-N 0 0 614.724 3.393 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409162969 1059906773 /nfs/dbraw/zinc/90/67/73/1059906773.db2.gz KDKSUGIRVQAKFV-DBLMTGOPSA-N 0 0 626.131 3.088 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409162970 1059906936 /nfs/dbraw/zinc/90/69/36/1059906936.db2.gz KDKSUGIRVQAKFV-GKKFRVOYSA-N 0 0 626.131 3.088 40 0 KGABRN COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cn(CC(=O)N5CCOCC5)c5ccccc45)c(=O)n32)c1 ZINC000409163147 1059906868 /nfs/dbraw/zinc/90/68/68/1059906868.db2.gz MMFGKGQNKJGSFQ-KOBOZNMDSA-N 0 0 614.724 3.009 40 0 KGABRN COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cn(CC(=O)N5CCOCC5)c5ccccc45)c(=O)n32)c1 ZINC000409163148 1059906742 /nfs/dbraw/zinc/90/67/42/1059906742.db2.gz MMFGKGQNKJGSFQ-OGEXXFCLSA-N 0 0 614.724 3.009 40 0 KGABRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n21 ZINC000409163170 1059906828 /nfs/dbraw/zinc/90/68/28/1059906828.db2.gz MUYYRCUSWGZCOQ-DLJDGCESSA-N 0 0 700.608 3.204 40 0 KGABRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n21 ZINC000409163171 1059906955 /nfs/dbraw/zinc/90/69/55/1059906955.db2.gz MUYYRCUSWGZCOQ-ZKEKZPBLSA-N 0 0 700.608 3.204 40 0 KGABRN COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3ccc(Br)cc3C)n2C)cc1 ZINC000409163432 1059062315 /nfs/dbraw/zinc/06/23/15/1059062315.db2.gz RKJOJLVKLAYSBD-UHFFFAOYSA-N 0 0 518.437 3.484 40 0 KGABRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1OCC(=O)N1CCOCC1 ZINC000409163540 1059906213 /nfs/dbraw/zinc/90/62/13/1059906213.db2.gz TUSQMEXKDXCKFJ-FJSZTYFPSA-N 0 0 630.748 3.182 40 0 KGABRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1OCC(=O)N1CCOCC1 ZINC000409163541 1059906320 /nfs/dbraw/zinc/90/63/20/1059906320.db2.gz TUSQMEXKDXCKFJ-KEBLUXQBSA-N 0 0 630.748 3.182 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCCC4)c4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409163613 1059906336 /nfs/dbraw/zinc/90/63/36/1059906336.db2.gz VACRFERKDQACNA-MFISQUFLSA-N 0 0 584.698 3.384 40 0 KGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCCC4)c4ccccc34)c(=O)n2[C@@H]1c1cccc(OC)c1 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O=C(C[C@@]1(COc2cccc(Cl)c2)CN(C(=O)c2ccc3ccccc3n2)CCO1)N1CCOCC1 ZINC000585287176 1059113241 /nfs/dbraw/zinc/11/32/41/1059113241.db2.gz VNTMDTUTNQGCTA-MHZLTWQESA-N 0 0 509.990 3.427 40 0 KGABRN CCc1nccn1CCOc1cc(CN2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)ccc1OC ZINC000585287237 1059113300 /nfs/dbraw/zinc/11/33/00/1059113300.db2.gz LGVSANLVPDGBHJ-HHHXNRCGSA-N 0 0 517.573 3.454 40 0 KGABRN CCc1nccn1CCOc1cc(CN2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)ccc1OC ZINC000585287239 1059113335 /nfs/dbraw/zinc/11/33/35/1059113335.db2.gz LGVSANLVPDGBHJ-MHZLTWQESA-N 0 0 517.573 3.454 40 0 KGABRN Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CN(C(=O)CCOc3cccc(F)c3)CCO2)ccc1Cl ZINC000585287423 1059112445 /nfs/dbraw/zinc/11/24/45/1059112445.db2.gz WLQNJPTXVOBVTP-HHHXNRCGSA-N 0 0 535.012 3.482 40 0 KGABRN Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CN(C(=O)CCOc3cccc(F)c3)CCO2)ccc1Cl ZINC000585287424 1059112462 /nfs/dbraw/zinc/11/24/62/1059112462.db2.gz WLQNJPTXVOBVTP-MHZLTWQESA-N 0 0 535.012 3.482 40 0 KGABRN Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(=O)N2CCCCC2)C1 ZINC000585287589 1059112454 /nfs/dbraw/zinc/11/24/54/1059112454.db2.gz ZFPZDMZVMCGEEL-HHHXNRCGSA-N 0 0 500.615 3.188 40 0 KGABRN Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N2CCCCC2)C1 ZINC000585287595 1059112438 /nfs/dbraw/zinc/11/24/38/1059112438.db2.gz ZFPZDMZVMCGEEL-MHZLTWQESA-N 0 0 500.615 3.188 40 0 KGABRN CCc1nccn1CCOc1ccc(CN2CC[C@H](O)[C@@](O)(COc3cc(F)c(F)c(F)c3)C2)cc1OC ZINC000585287777 1059112485 /nfs/dbraw/zinc/11/24/85/1059112485.db2.gz RGHNMYYRMLIZNM-IGKIAQTJSA-N 0 0 535.563 3.327 40 0 KGABRN Cc1cc(OC[C@@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)Cn3cccn3)C2)cc(C)c1Cl ZINC000585287810 1059112506 /nfs/dbraw/zinc/11/25/06/1059112506.db2.gz SHSCFUMCAAEQCK-AREMUKBSSA-N 0 0 503.043 3.215 40 0 KGABRN Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)Cn3cccn3)C2)cc(C)c1Cl ZINC000585287811 1059112430 /nfs/dbraw/zinc/11/24/30/1059112430.db2.gz SHSCFUMCAAEQCK-SANMLTNESA-N 0 0 503.043 3.215 40 0 KGABRN COc1cc(CN2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)ccc1OCCn1cccn1 ZINC000585287819 1059112403 /nfs/dbraw/zinc/11/24/03/1059112403.db2.gz SMWRVIFGQWZFNR-DQEYMECFSA-N 0 0 505.974 3.140 40 0 KGABRN CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc(Br)cc(Br)c3OC)N2N1 ZINC000588224936 1059544150 /nfs/dbraw/zinc/54/41/50/1059544150.db2.gz ZRUXJMUJVRHDFI-KRWDZBQOSA-N 0 0 524.238 3.116 40 0 KGABRN CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc(Br)cc(Br)c3OC)N2N1 ZINC000588224937 1059544300 /nfs/dbraw/zinc/54/43/00/1059544300.db2.gz ZRUXJMUJVRHDFI-QGZVFWFLSA-N 0 0 524.238 3.116 40 0 KGABRN CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc(Br)c(OC)c(Br)c3)N2N1 ZINC000588225481 1059544238 /nfs/dbraw/zinc/54/42/38/1059544238.db2.gz MNARICAVVIEWTB-KRWDZBQOSA-N 0 0 524.238 3.116 40 0 KGABRN CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc(Br)c(OC)c(Br)c3)N2N1 ZINC000588225482 1059544131 /nfs/dbraw/zinc/54/41/31/1059544131.db2.gz MNARICAVVIEWTB-QGZVFWFLSA-N 0 0 524.238 3.116 40 0 KGABRN CCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc(Br)c(OC)c(OC)c3)N2N1 ZINC000588225586 1059544107 /nfs/dbraw/zinc/54/41/07/1059544107.db2.gz ANWIKGYNZTVBFJ-FQEVSTJZSA-N 0 0 503.422 3.143 40 0 KGABRN CCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc(Br)c(OC)c(OC)c3)N2N1 ZINC000588225587 1059544766 /nfs/dbraw/zinc/54/47/66/1059544766.db2.gz ANWIKGYNZTVBFJ-HXUWFJFHSA-N 0 0 503.422 3.143 40 0 KGABRN COc1cc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SC)NN32)cc(I)c1OCc1ccccc1 ZINC000588225634 1059544193 /nfs/dbraw/zinc/54/41/93/1059544193.db2.gz FLMHBYAHPSSYAP-HSZRJFAPSA-N 0 0 584.439 3.385 40 0 KGABRN COc1cc([C@H]2N=c3ccccc3=C3C(=O)N=C(SC)NN32)cc(I)c1OCc1ccccc1 ZINC000588225635 1059544258 /nfs/dbraw/zinc/54/42/58/1059544258.db2.gz FLMHBYAHPSSYAP-QHCPKHFHSA-N 0 0 584.439 3.385 40 0 KGABRN COc1cc(OC)c([C@@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccc(C)cc4)NN32)cc1OC ZINC000588225923 1059545784 /nfs/dbraw/zinc/54/57/84/1059545784.db2.gz AOPDIRWLQOHANI-RUZDIDTESA-N 0 0 502.596 3.097 40 0 KGABRN COc1cc(OC)c([C@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccc(C)cc4)NN32)cc1OC ZINC000588225927 1059545899 /nfs/dbraw/zinc/54/58/99/1059545899.db2.gz AOPDIRWLQOHANI-VWLOTQADSA-N 0 0 502.596 3.097 40 0 KGABRN CCCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3ccc(OC)cc3OC)N2N1 ZINC000588225934 1059005574 /nfs/dbraw/zinc/00/55/74/1059005574.db2.gz APDYZBPZMUUUCH-FQEVSTJZSA-N 0 0 503.422 3.143 40 0 KGABRN CCCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3ccc(OC)cc3OC)N2N1 ZINC000588225935 1059005594 /nfs/dbraw/zinc/00/55/94/1059005594.db2.gz APDYZBPZMUUUCH-HXUWFJFHSA-N 0 0 503.422 3.143 40 0 KGABRN COc1cc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccc(C)cc4)NN32)cc(OC)c1OC ZINC000588225948 1059545884 /nfs/dbraw/zinc/54/58/84/1059545884.db2.gz BVGYAKCUYCOHHS-RUZDIDTESA-N 0 0 502.596 3.097 40 0 KGABRN COc1cc([C@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccc(C)cc4)NN32)cc(OC)c1OC ZINC000588225949 1059545724 /nfs/dbraw/zinc/54/57/24/1059545724.db2.gz BVGYAKCUYCOHHS-VWLOTQADSA-N 0 0 502.596 3.097 40 0 KGABRN COc1cc(OC)c([C@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccc(Cl)cc4)NN32)c(OC)c1 ZINC000588225950 1059545742 /nfs/dbraw/zinc/54/57/42/1059545742.db2.gz CBWZWSOEHPHNIM-DEOSSOPVSA-N 0 0 523.014 3.442 40 0 KGABRN COc1cc(OC)c([C@@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccc(Cl)cc4)NN32)c(OC)c1 ZINC000588225952 1059545809 /nfs/dbraw/zinc/54/58/09/1059545809.db2.gz CBWZWSOEHPHNIM-XMMPIXPASA-N 0 0 523.014 3.442 40 0 KGABRN CCCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3ccc(I)o3)N2N1 ZINC000588226023 1059005548 /nfs/dbraw/zinc/00/55/48/1059005548.db2.gz FQVZKWLQHXGPAA-INIZCTEOSA-N 0 0 559.227 3.323 40 0 KGABRN CCCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3ccc(I)o3)N2N1 ZINC000588226026 1059005505 /nfs/dbraw/zinc/00/55/05/1059005505.db2.gz FQVZKWLQHXGPAA-MRXNPFEDSA-N 0 0 559.227 3.323 40 0 KGABRN CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3c(C)nn(-c4ccccc4)c3Cl)N2N1 ZINC000588226085 1059005527 /nfs/dbraw/zinc/00/55/27/1059005527.db2.gz HWXRALJCLXPJFP-FQEVSTJZSA-N 0 0 529.851 3.493 40 0 KGABRN CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3c(C)nn(-c4ccccc4)c3Cl)N2N1 ZINC000588226088 1059006018 /nfs/dbraw/zinc/00/60/18/1059006018.db2.gz HWXRALJCLXPJFP-HXUWFJFHSA-N 0 0 529.851 3.493 40 0 KGABRN CSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3cc(Br)c(Br)o3)N2N1 ZINC000588226246 1059545208 /nfs/dbraw/zinc/54/52/08/1059545208.db2.gz QUXCMVNADXWXDD-CYBMUJFWSA-N 0 0 549.042 3.073 40 0 KGABRN CSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3cc(Br)c(Br)o3)N2N1 ZINC000588226247 1059545298 /nfs/dbraw/zinc/54/52/98/1059545298.db2.gz QUXCMVNADXWXDD-ZDUSSCGKSA-N 0 0 549.042 3.073 40 0 KGABRN CSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3c(C)nn(-c4ccccc4)c3Cl)N2N1 ZINC000588226293 1059545355 /nfs/dbraw/zinc/54/53/55/1059545355.db2.gz QMYQGDKXMKICTJ-IBGZPJMESA-N 0 0 515.824 3.103 40 0 KGABRN CSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3c(C)nn(-c4ccccc4)c3Cl)N2N1 ZINC000588226294 1059545284 /nfs/dbraw/zinc/54/52/84/1059545284.db2.gz QMYQGDKXMKICTJ-LJQANCHMSA-N 0 0 515.824 3.103 40 0 KGABRN CCCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3cc(OC)ccc3OC)N2N1 ZINC000588226307 1059545248 /nfs/dbraw/zinc/54/52/48/1059545248.db2.gz RTVKIDVOPQZEQD-FQEVSTJZSA-N 0 0 503.422 3.143 40 0 KGABRN CCCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3cc(OC)ccc3OC)N2N1 ZINC000588226308 1059545848 /nfs/dbraw/zinc/54/58/48/1059545848.db2.gz RTVKIDVOPQZEQD-HXUWFJFHSA-N 0 0 503.422 3.143 40 0 KGABRN CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3cc(Br)c(Br)o3)N2N1 ZINC000588226391 1059006043 /nfs/dbraw/zinc/00/60/43/1059006043.db2.gz WRHRFEHUFRXNGB-AWEZNQCLSA-N 0 0 563.069 3.463 40 0 KGABRN CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3cc(Br)c(Br)o3)N2N1 ZINC000588226394 1059005994 /nfs/dbraw/zinc/00/59/94/1059005994.db2.gz WRHRFEHUFRXNGB-CQSZACIVSA-N 0 0 563.069 3.463 40 0 KGABRN COc1ccc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccc(C)cc4)NN32)c(OC)c1OC ZINC000588226404 1059006064 /nfs/dbraw/zinc/00/60/64/1059006064.db2.gz XOVMQAIFTNFBSL-RUZDIDTESA-N 0 0 502.596 3.097 40 0 KGABRN COc1ccc([C@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccc(C)cc4)NN32)c(OC)c1OC ZINC000588226405 1059005922 /nfs/dbraw/zinc/00/59/22/1059005922.db2.gz XOVMQAIFTNFBSL-VWLOTQADSA-N 0 0 502.596 3.097 40 0 KGABRN CCCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3c(OC)cc(OC)cc3OC)N2N1 ZINC000588226413 1059545326 /nfs/dbraw/zinc/54/53/26/1059545326.db2.gz XYQCEKPDFYUCEE-NRFANRHFSA-N 0 0 533.448 3.151 40 0 KGABRN CCCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3c(OC)cc(OC)cc3OC)N2N1 ZINC000588226415 1059545227 /nfs/dbraw/zinc/54/52/27/1059545227.db2.gz XYQCEKPDFYUCEE-OAQYLSRUSA-N 0 0 533.448 3.151 40 0 KGABRN CCCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3ccc(OC)c(OC)c3)N2N1 ZINC000588226571 1059544725 /nfs/dbraw/zinc/54/47/25/1059544725.db2.gz XBCWNNIFUAQOIG-FQEVSTJZSA-N 0 0 503.422 3.143 40 0 KGABRN CCCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3ccc(OC)c(OC)c3)N2N1 ZINC000588226572 1059544676 /nfs/dbraw/zinc/54/46/76/1059544676.db2.gz XBCWNNIFUAQOIG-HXUWFJFHSA-N 0 0 503.422 3.143 40 0 KGABRN CCOc1ccc(Br)c([C@H]2N=c3ccc(Br)cc3=C3C(=O)N=C(SC)NN32)c1 ZINC000588226577 1059544631 /nfs/dbraw/zinc/54/46/31/1059544631.db2.gz XSKSCKZDKVXCKC-KRWDZBQOSA-N 0 0 524.238 3.116 40 0 KGABRN 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