smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000000708769 551532352 /nfs/dbraw/zinc/53/23/52/551532352.db2.gz FAKJPWSTZLZTRL-XXMKCSCWSA-N 0 0 521.639 3.359 40 10 KGCBRN COc1ccc(N2CCN(C(=O)CSc3nnc4c(C)cc5cc6c(cc5n34)OCCO6)CC2)cc1 ZINC000000877396 551554753 /nfs/dbraw/zinc/55/47/53/551554753.db2.gz NWFUXQYGWLVKDE-UHFFFAOYSA-N 0 0 505.600 3.412 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(C[C@H]1CCCO1)[C@H](C(=O)NC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000000905909 551567378 /nfs/dbraw/zinc/56/73/78/551567378.db2.gz WWWPTIOMHNDSFP-VIZCGCQYSA-N 0 0 560.699 3.466 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(C[C@@H]1CCCO1)[C@H](C(=O)NC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000000905910 551567324 /nfs/dbraw/zinc/56/73/24/551567324.db2.gz WWWPTIOMHNDSFP-YZNIXAGQSA-N 0 0 560.699 3.466 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(C[C@H]1CCCO1)[C@@H](C(=O)NC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000000905911 551567290 /nfs/dbraw/zinc/56/72/90/551567290.db2.gz WWWPTIOMHNDSFP-PDDLMNHVSA-N 0 0 560.699 3.466 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(C[C@@H]1CCCO1)[C@@H](C(=O)NC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000000905913 551567363 /nfs/dbraw/zinc/56/73/63/551567363.db2.gz WWWPTIOMHNDSFP-FREGXXQWSA-N 0 0 560.699 3.466 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(c1cccc(F)c1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000000906438 551569438 /nfs/dbraw/zinc/56/94/38/551569438.db2.gz MLYUIYKSROVSAZ-VIZCGCQYSA-N 0 0 572.641 3.477 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(c1cccc(F)c1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000000906440 551569454 /nfs/dbraw/zinc/56/94/54/551569454.db2.gz MLYUIYKSROVSAZ-PDDLMNHVSA-N 0 0 572.641 3.477 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(c1cccc(F)c1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000000906441 551569384 /nfs/dbraw/zinc/56/93/84/551569384.db2.gz MLYUIYKSROVSAZ-YZNIXAGQSA-N 0 0 572.641 3.477 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(c1cccc(F)c1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000000906443 551569401 /nfs/dbraw/zinc/56/94/01/551569401.db2.gz MLYUIYKSROVSAZ-FREGXXQWSA-N 0 0 572.641 3.477 40 10 KGCBRN CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N3CCN(c4ccc(OC)cc4)CC3)o2)cc1 ZINC000000922265 551576543 /nfs/dbraw/zinc/57/65/43/551576543.db2.gz FJTGSBPUKJBFJB-UHFFFAOYSA-N 0 0 545.687 3.217 40 10 KGCBRN COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N3CCOCC3)cc2)c1 ZINC000000922679 551576731 /nfs/dbraw/zinc/57/67/31/551576731.db2.gz CLSJPRGGHBXWLU-JOMNFKBKSA-N 0 0 584.677 3.346 40 10 KGCBRN COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N3CCOCC3)cc2)c1 ZINC000000922681 551576818 /nfs/dbraw/zinc/57/68/18/551576818.db2.gz CLSJPRGGHBXWLU-DLFZDVPBSA-N 0 0 584.677 3.346 40 10 KGCBRN COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N3CCOCC3)cc2)c1 ZINC000000922682 551576794 /nfs/dbraw/zinc/57/67/94/551576794.db2.gz CLSJPRGGHBXWLU-DHIFEGFHSA-N 0 0 584.677 3.346 40 10 KGCBRN COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N3CCOCC3)cc2)c1 ZINC000000922683 551576777 /nfs/dbraw/zinc/57/67/77/551576777.db2.gz CLSJPRGGHBXWLU-JTSJOTPCSA-N 0 0 584.677 3.346 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(c1ccc(F)cc1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000000922684 551576744 /nfs/dbraw/zinc/57/67/44/551576744.db2.gz RMVVTGIEIWBRKI-VIZCGCQYSA-N 0 0 572.641 3.477 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(c1ccc(F)cc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000000922685 551576741 /nfs/dbraw/zinc/57/67/41/551576741.db2.gz RMVVTGIEIWBRKI-PDDLMNHVSA-N 0 0 572.641 3.477 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(c1ccc(F)cc1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000000922687 551576722 /nfs/dbraw/zinc/57/67/22/551576722.db2.gz RMVVTGIEIWBRKI-YZNIXAGQSA-N 0 0 572.641 3.477 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(c1ccc(F)cc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000000922688 551576708 /nfs/dbraw/zinc/57/67/08/551576708.db2.gz RMVVTGIEIWBRKI-FREGXXQWSA-N 0 0 572.641 3.477 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(c1ccccc1F)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000000922689 551576738 /nfs/dbraw/zinc/57/67/38/551576738.db2.gz FKHATEUYNSPGAE-HLADLETHSA-N 0 0 572.641 3.477 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(c1ccccc1F)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000000922690 551576762 /nfs/dbraw/zinc/57/67/62/551576762.db2.gz FKHATEUYNSPGAE-AYWVHJORSA-N 0 0 572.641 3.477 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(c1ccccc1F)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000000922692 551576720 /nfs/dbraw/zinc/57/67/20/551576720.db2.gz FKHATEUYNSPGAE-QABMSTFYSA-N 0 0 572.641 3.477 40 10 KGCBRN COc1ccc(CN(Cc2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)cc1 ZINC000000934242 551586596 /nfs/dbraw/zinc/58/65/96/551586596.db2.gz NGWCKTLCXAVDDH-UHFFFAOYSA-N 0 0 508.604 3.137 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000001025456 551597491 /nfs/dbraw/zinc/59/74/91/551597491.db2.gz FAKJPWSTZLZTRL-XSZPGNIMSA-N 0 0 521.639 3.359 40 10 KGCBRN CN(C)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)cc1 ZINC000001341846 551646695 /nfs/dbraw/zinc/64/66/95/551646695.db2.gz VIWBYJCJNIHYHD-BTYSJIOQSA-N 0 0 556.623 3.296 40 10 KGCBRN CN(C)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)cc1 ZINC000001341848 551646672 /nfs/dbraw/zinc/64/66/72/551646672.db2.gz VIWBYJCJNIHYHD-RNWIMVQKSA-N 0 0 556.623 3.296 40 10 KGCBRN CN(C)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)cc1 ZINC000001341850 551646687 /nfs/dbraw/zinc/64/66/87/551646687.db2.gz VIWBYJCJNIHYHD-IADCTJSHSA-N 0 0 556.623 3.296 40 10 KGCBRN CN(C)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)cc1 ZINC000001341852 551646645 /nfs/dbraw/zinc/64/66/45/551646645.db2.gz VIWBYJCJNIHYHD-MUAVYFROSA-N 0 0 556.623 3.296 40 10 KGCBRN Cc1cc(C(=O)COC(=O)C23C[C@H]4C[C@H](CC(O)(C4)C2)C3)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000002726066 552167089 /nfs/dbraw/zinc/16/70/89/552167089.db2.gz DLSFAAPOBRODJP-YIOSKMQZSA-N 0 0 556.681 3.172 40 10 KGCBRN COc1c(I)cc(I)cc1C=C1SC(=S)NC1=O ZINC000004257366 552453422 /nfs/dbraw/zinc/45/34/22/552453422.db2.gz OFSLMAXQZDLQRS-FPYGCLRLSA-N 0 0 503.124 3.393 40 10 KGCBRN CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005396018 552500847 /nfs/dbraw/zinc/50/08/47/552500847.db2.gz NCNFIPGSFSXSRE-LNZHUDRZSA-N 0 0 620.485 3.278 40 10 KGCBRN CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005396019 552500861 /nfs/dbraw/zinc/50/08/61/552500861.db2.gz NCNFIPGSFSXSRE-CUBNGXLASA-N 0 0 620.485 3.278 40 10 KGCBRN CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C/c3ccc4ccccc4c3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005430511 552501709 /nfs/dbraw/zinc/50/17/09/552501709.db2.gz HOPIENTYEUZPIV-IMDQJTBVSA-N 0 0 601.655 3.124 40 10 KGCBRN CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C/c3ccc4ccccc4c3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005430512 552501747 /nfs/dbraw/zinc/50/17/47/552501747.db2.gz HOPIENTYEUZPIV-LRURPFQHSA-N 0 0 601.655 3.124 40 10 KGCBRN CC(C)(C)NC(=O)[C@@H](c1ccc(N2CCOCC2)cc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21 ZINC000006074558 552523632 /nfs/dbraw/zinc/52/36/32/552523632.db2.gz ITOAKSQFXXGFLL-MUUNZHRXSA-N 0 0 541.656 3.348 40 10 KGCBRN CC(C)(C)NC(=O)[C@H](c1ccc(N2CCOCC2)cc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21 ZINC000006074966 552526017 /nfs/dbraw/zinc/52/60/17/552526017.db2.gz ITOAKSQFXXGFLL-NDEPHWFRSA-N 0 0 541.656 3.348 40 10 KGCBRN COc1ccc(OC)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c1 ZINC000006076898 552527650 /nfs/dbraw/zinc/52/76/50/552527650.db2.gz HIXIQVULQHVEON-XMMPIXPASA-N 0 0 568.700 3.458 40 10 KGCBRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1OC ZINC000006076899 552527727 /nfs/dbraw/zinc/52/77/27/552527727.db2.gz HKAPTGGITWJJKP-XMMPIXPASA-N 0 0 568.700 3.458 40 10 KGCBRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000006076903 552527703 /nfs/dbraw/zinc/52/77/03/552527703.db2.gz MVCFCEGJLMUNQP-HSZRJFAPSA-N 0 0 538.674 3.449 40 10 KGCBRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000006076904 552527717 /nfs/dbraw/zinc/52/77/17/552527717.db2.gz MKHSIUILMPUQGI-XMMPIXPASA-N 0 0 568.700 3.458 40 10 KGCBRN CC(C)CCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2 ZINC000006076905 552527676 /nfs/dbraw/zinc/52/76/76/552527676.db2.gz UNBNYFYBCZXZOU-XMMPIXPASA-N 0 0 566.684 3.212 40 10 KGCBRN CC(C)CCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 ZINC000006076906 552527735 /nfs/dbraw/zinc/52/77/35/552527735.db2.gz QGJIIHZKXQXCBL-HSZRJFAPSA-N 0 0 552.657 3.169 40 10 KGCBRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c1 ZINC000006076909 552527700 /nfs/dbraw/zinc/52/77/00/552527700.db2.gz GZLGYRXFSWGIHJ-HSZRJFAPSA-N 0 0 538.674 3.449 40 10 KGCBRN CC(C)CCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 ZINC000006076910 552527634 /nfs/dbraw/zinc/52/76/34/552527634.db2.gz REKVFLPYEFMKBN-JOCHJYFZSA-N 0 0 508.648 3.441 40 10 KGCBRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCC(C)C)c1ccc(N(C)C)cc1 ZINC000006076912 552527689 /nfs/dbraw/zinc/52/76/89/552527689.db2.gz RAXFAXBYHJORAX-HSZRJFAPSA-N 0 0 538.674 3.449 40 10 KGCBRN COc1ccc(OC)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c1 ZINC000006076939 552527966 /nfs/dbraw/zinc/52/79/66/552527966.db2.gz HIXIQVULQHVEON-DEOSSOPVSA-N 0 0 568.700 3.458 40 10 KGCBRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1OC ZINC000006076940 552527958 /nfs/dbraw/zinc/52/79/58/552527958.db2.gz HKAPTGGITWJJKP-DEOSSOPVSA-N 0 0 568.700 3.458 40 10 KGCBRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000006076943 552527944 /nfs/dbraw/zinc/52/79/44/552527944.db2.gz MVCFCEGJLMUNQP-QHCPKHFHSA-N 0 0 538.674 3.449 40 10 KGCBRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000006076944 552527985 /nfs/dbraw/zinc/52/79/85/552527985.db2.gz MKHSIUILMPUQGI-DEOSSOPVSA-N 0 0 568.700 3.458 40 10 KGCBRN CC(C)CCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2 ZINC000006076945 552527993 /nfs/dbraw/zinc/52/79/93/552527993.db2.gz UNBNYFYBCZXZOU-DEOSSOPVSA-N 0 0 566.684 3.212 40 10 KGCBRN CC(C)CCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 ZINC000006076947 552527937 /nfs/dbraw/zinc/52/79/37/552527937.db2.gz QGJIIHZKXQXCBL-QHCPKHFHSA-N 0 0 552.657 3.169 40 10 KGCBRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(N(C)C)cc2)c1 ZINC000006076949 552527955 /nfs/dbraw/zinc/52/79/55/552527955.db2.gz GZLGYRXFSWGIHJ-QHCPKHFHSA-N 0 0 538.674 3.449 40 10 KGCBRN CC(C)CCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 ZINC000006076950 552527960 /nfs/dbraw/zinc/52/79/60/552527960.db2.gz REKVFLPYEFMKBN-QFIPXVFZSA-N 0 0 508.648 3.441 40 10 KGCBRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1ccc(N(C)C)cc1 ZINC000006076953 552527988 /nfs/dbraw/zinc/52/79/88/552527988.db2.gz RAXFAXBYHJORAX-QHCPKHFHSA-N 0 0 538.674 3.449 40 10 KGCBRN COCCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1 ZINC000006077027 552528221 /nfs/dbraw/zinc/52/82/21/552528221.db2.gz MYZORMJDAXTEOK-QHCPKHFHSA-N 0 0 538.674 3.164 40 10 KGCBRN COCCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1 ZINC000006077039 552528268 /nfs/dbraw/zinc/52/82/68/552528268.db2.gz MYZORMJDAXTEOK-HSZRJFAPSA-N 0 0 538.674 3.164 40 10 KGCBRN CCC(C)(C)NC(=O)[C@@H](c1ccc(N(C)C)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N ZINC000006077418 552528789 /nfs/dbraw/zinc/52/87/89/552528789.db2.gz FFBSLIWFNHMLOB-HXUWFJFHSA-N 0 0 512.636 3.172 40 10 KGCBRN CCC(C)(C)NC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2 ZINC000006077425 552528807 /nfs/dbraw/zinc/52/88/07/552528807.db2.gz CSSADGJWFLWUIB-HSZRJFAPSA-N 0 0 566.684 3.354 40 10 KGCBRN CCC(C)(C)NC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 ZINC000006077426 552528813 /nfs/dbraw/zinc/52/88/13/552528813.db2.gz WLTJYALOPCQCOV-JOCHJYFZSA-N 0 0 552.657 3.312 40 10 KGCBRN CCC(C)(C)NC(=O)[C@H](c1ccc(N(C)C)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N ZINC000006077451 552528822 /nfs/dbraw/zinc/52/88/22/552528822.db2.gz FFBSLIWFNHMLOB-FQEVSTJZSA-N 0 0 512.636 3.172 40 10 KGCBRN CCC(C)(C)NC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2 ZINC000006077458 552528921 /nfs/dbraw/zinc/52/89/21/552528921.db2.gz CSSADGJWFLWUIB-QHCPKHFHSA-N 0 0 566.684 3.354 40 10 KGCBRN CCC(C)(C)NC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 ZINC000006077459 552528996 /nfs/dbraw/zinc/52/89/96/552528996.db2.gz WLTJYALOPCQCOV-QFIPXVFZSA-N 0 0 552.657 3.312 40 10 KGCBRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000006133948 552535440 /nfs/dbraw/zinc/53/54/40/552535440.db2.gz UVYSMQVAZYXJJC-IGKIAQTJSA-N 0 0 545.644 3.013 40 10 KGCBRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000006133977 552535736 /nfs/dbraw/zinc/53/57/36/552535736.db2.gz UVYSMQVAZYXJJC-SQHAQQRYSA-N 0 0 545.644 3.013 40 10 KGCBRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000006134159 552536439 /nfs/dbraw/zinc/53/64/39/552536439.db2.gz UVYSMQVAZYXJJC-RPLLCQBOSA-N 0 0 545.644 3.013 40 10 KGCBRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000006134186 552536631 /nfs/dbraw/zinc/53/66/31/552536631.db2.gz UVYSMQVAZYXJJC-SHQCIBLASA-N 0 0 545.644 3.013 40 10 KGCBRN CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000006135416 552539620 /nfs/dbraw/zinc/53/96/20/552539620.db2.gz PNDXGZCHAOKOTJ-RDPSFJRHSA-N 0 0 550.685 3.136 40 10 KGCBRN CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000006135417 552539614 /nfs/dbraw/zinc/53/96/14/552539614.db2.gz PNDXGZCHAOKOTJ-YKSBVNFPSA-N 0 0 550.685 3.136 40 10 KGCBRN CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000006135426 552539563 /nfs/dbraw/zinc/53/95/63/552539563.db2.gz PNDXGZCHAOKOTJ-GBXCKJPGSA-N 0 0 550.685 3.136 40 10 KGCBRN CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000006135427 552539559 /nfs/dbraw/zinc/53/95/59/552539559.db2.gz PNDXGZCHAOKOTJ-HYBUGGRVSA-N 0 0 550.685 3.136 40 10 KGCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006135829 552539822 /nfs/dbraw/zinc/53/98/22/552539822.db2.gz ZXIHPWPDHAWUQF-QHCPKHFHSA-N 0 0 538.649 3.472 40 10 KGCBRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1OC ZINC000006135831 552539853 /nfs/dbraw/zinc/53/98/53/552539853.db2.gz OYDCYICPYFSYMR-DEOSSOPVSA-N 0 0 566.684 3.354 40 10 KGCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1 ZINC000006135832 552539820 /nfs/dbraw/zinc/53/98/20/552539820.db2.gz CTIMWORJBMCXCC-QFIPXVFZSA-N 0 0 524.622 3.476 40 10 KGCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1 ZINC000006135833 552539828 /nfs/dbraw/zinc/53/98/28/552539828.db2.gz MTDBXPKVTQAROG-QFIPXVFZSA-N 0 0 524.622 3.476 40 10 KGCBRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1 ZINC000006135834 552539833 /nfs/dbraw/zinc/53/98/33/552539833.db2.gz MMSUOZBGIKEQMG-QHCPKHFHSA-N 0 0 536.658 3.346 40 10 KGCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1 ZINC000006135835 552539824 /nfs/dbraw/zinc/53/98/24/552539824.db2.gz QRPNLZFWWNAJIE-QFIPXVFZSA-N 0 0 506.632 3.337 40 10 KGCBRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1ccc(N(C)C)cc1 ZINC000006135837 552539826 /nfs/dbraw/zinc/53/98/26/552539826.db2.gz ISRBEUBBUHLMGI-QHCPKHFHSA-N 0 0 536.658 3.346 40 10 KGCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006135844 552539844 /nfs/dbraw/zinc/53/98/44/552539844.db2.gz CMJWKWBWQAZHFP-QFIPXVFZSA-N 0 0 524.647 3.316 40 10 KGCBRN CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)cc1 ZINC000006135849 552540181 /nfs/dbraw/zinc/54/01/81/552540181.db2.gz BRBQYWLVKRDHOC-DEOSSOPVSA-N 0 0 564.668 3.456 40 10 KGCBRN CN(C)c1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006135885 552540328 /nfs/dbraw/zinc/54/03/28/552540328.db2.gz QOVSZKDJAOQOLZ-QHCPKHFHSA-N 0 0 532.626 3.183 40 10 KGCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006135920 552540353 /nfs/dbraw/zinc/54/03/53/552540353.db2.gz ZXIHPWPDHAWUQF-HSZRJFAPSA-N 0 0 538.649 3.472 40 10 KGCBRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1OC ZINC000006135922 552540278 /nfs/dbraw/zinc/54/02/78/552540278.db2.gz OYDCYICPYFSYMR-XMMPIXPASA-N 0 0 566.684 3.354 40 10 KGCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1 ZINC000006135923 552540306 /nfs/dbraw/zinc/54/03/06/552540306.db2.gz CTIMWORJBMCXCC-JOCHJYFZSA-N 0 0 524.622 3.476 40 10 KGCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1 ZINC000006135924 552540346 /nfs/dbraw/zinc/54/03/46/552540346.db2.gz MTDBXPKVTQAROG-JOCHJYFZSA-N 0 0 524.622 3.476 40 10 KGCBRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1 ZINC000006135925 552540349 /nfs/dbraw/zinc/54/03/49/552540349.db2.gz MMSUOZBGIKEQMG-HSZRJFAPSA-N 0 0 536.658 3.346 40 10 KGCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1 ZINC000006135926 552540373 /nfs/dbraw/zinc/54/03/73/552540373.db2.gz QRPNLZFWWNAJIE-JOCHJYFZSA-N 0 0 506.632 3.337 40 10 KGCBRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccc(N(C)C)cc1 ZINC000006135928 552540381 /nfs/dbraw/zinc/54/03/81/552540381.db2.gz ISRBEUBBUHLMGI-HSZRJFAPSA-N 0 0 536.658 3.346 40 10 KGCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006135935 552540337 /nfs/dbraw/zinc/54/03/37/552540337.db2.gz CMJWKWBWQAZHFP-JOCHJYFZSA-N 0 0 524.647 3.316 40 10 KGCBRN CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)cc1 ZINC000006135940 552540561 /nfs/dbraw/zinc/54/05/61/552540561.db2.gz BRBQYWLVKRDHOC-XMMPIXPASA-N 0 0 564.668 3.456 40 10 KGCBRN CN(C)c1ccc([C@H](C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006135976 552540891 /nfs/dbraw/zinc/54/08/91/552540891.db2.gz QOVSZKDJAOQOLZ-HSZRJFAPSA-N 0 0 532.626 3.183 40 10 KGCBRN COc1ccc(N2CCN([C@H](c3nnnn3Cc3ccccc3)c3cc4cc(OC)ccc4[nH]c3=O)CC2)cc1 ZINC000006136634 552542416 /nfs/dbraw/zinc/54/24/16/552542416.db2.gz QSXSSIHIJGLCMM-NDEPHWFRSA-N 0 0 537.624 3.492 40 10 KGCBRN COc1ccc(N2CCN([C@H](c3nnnn3Cc3ccccc3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000006136643 552542473 /nfs/dbraw/zinc/54/24/73/552542473.db2.gz NZQFRMVUAZGRCR-NDEPHWFRSA-N 0 0 537.624 3.492 40 10 KGCBRN COc1ccc(N2CCN([C@@H](c3nnnn3Cc3ccccc3)c3cc4cc(OC)ccc4[nH]c3=O)CC2)cc1 ZINC000006136650 552542485 /nfs/dbraw/zinc/54/24/85/552542485.db2.gz QSXSSIHIJGLCMM-MUUNZHRXSA-N 0 0 537.624 3.492 40 10 KGCBRN COc1ccc(N2CCN([C@@H](c3nnnn3Cc3ccccc3)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000006136659 552542702 /nfs/dbraw/zinc/54/27/02/552542702.db2.gz NZQFRMVUAZGRCR-MUUNZHRXSA-N 0 0 537.624 3.492 40 10 KGCBRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)c1 ZINC000006193901 552565817 /nfs/dbraw/zinc/56/58/17/552565817.db2.gz OXEBSNQBEOKHFL-URXFXBBRSA-N 0 0 550.685 3.190 40 10 KGCBRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)c1 ZINC000006193904 552565795 /nfs/dbraw/zinc/56/57/95/552565795.db2.gz OXEBSNQBEOKHFL-QPPBQGQZSA-N 0 0 550.685 3.190 40 10 KGCBRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)c1 ZINC000006193934 552565969 /nfs/dbraw/zinc/56/59/69/552565969.db2.gz OXEBSNQBEOKHFL-XUZZJYLKSA-N 0 0 550.685 3.190 40 10 KGCBRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)c1 ZINC000006193937 552565989 /nfs/dbraw/zinc/56/59/89/552565989.db2.gz OXEBSNQBEOKHFL-ZJSXRUAMSA-N 0 0 550.685 3.190 40 10 KGCBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)c(C)c1 ZINC000006195229 552567115 /nfs/dbraw/zinc/56/71/15/552567115.db2.gz CBSYVOUYINBYMS-RDPSFJRHSA-N 0 0 550.685 3.190 40 10 KGCBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)c(C)c1 ZINC000006195232 552567037 /nfs/dbraw/zinc/56/70/37/552567037.db2.gz CBSYVOUYINBYMS-YKSBVNFPSA-N 0 0 550.685 3.190 40 10 KGCBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)c(C)c1 ZINC000006195259 552567386 /nfs/dbraw/zinc/56/73/86/552567386.db2.gz CBSYVOUYINBYMS-GBXCKJPGSA-N 0 0 550.685 3.190 40 10 KGCBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)c(C)c1 ZINC000006195261 552567312 /nfs/dbraw/zinc/56/73/12/552567312.db2.gz CBSYVOUYINBYMS-HYBUGGRVSA-N 0 0 550.685 3.190 40 10 KGCBRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)c1 ZINC000006195557 552567617 /nfs/dbraw/zinc/56/76/17/552567617.db2.gz HUYHWCBAFJZDQU-RDPSFJRHSA-N 0 0 550.685 3.190 40 10 KGCBRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)c1 ZINC000006195559 552567586 /nfs/dbraw/zinc/56/75/86/552567586.db2.gz HUYHWCBAFJZDQU-YKSBVNFPSA-N 0 0 550.685 3.190 40 10 KGCBRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)c1 ZINC000006195593 552567672 /nfs/dbraw/zinc/56/76/72/552567672.db2.gz HUYHWCBAFJZDQU-GBXCKJPGSA-N 0 0 550.685 3.190 40 10 KGCBRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)c1 ZINC000006195596 552567664 /nfs/dbraw/zinc/56/76/64/552567664.db2.gz HUYHWCBAFJZDQU-HYBUGGRVSA-N 0 0 550.685 3.190 40 10 KGCBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)cc1C ZINC000006280323 552576223 /nfs/dbraw/zinc/57/62/23/552576223.db2.gz IKIHNLHPDSJDNE-URXFXBBRSA-N 0 0 550.685 3.190 40 10 KGCBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)cc1C ZINC000006280325 552576215 /nfs/dbraw/zinc/57/62/15/552576215.db2.gz IKIHNLHPDSJDNE-QPPBQGQZSA-N 0 0 550.685 3.190 40 10 KGCBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)cc1C ZINC000006280349 552576242 /nfs/dbraw/zinc/57/62/42/552576242.db2.gz IKIHNLHPDSJDNE-XUZZJYLKSA-N 0 0 550.685 3.190 40 10 KGCBRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)cc1C ZINC000006280351 552576240 /nfs/dbraw/zinc/57/62/40/552576240.db2.gz IKIHNLHPDSJDNE-ZJSXRUAMSA-N 0 0 550.685 3.190 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000006353976 552581781 /nfs/dbraw/zinc/58/17/81/552581781.db2.gz VDSVRZAHYCCOIG-FNUHDPNESA-N 0 0 572.481 3.341 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000006354093 552581972 /nfs/dbraw/zinc/58/19/72/552581972.db2.gz BBNFIQGZUVIZCO-VOSMRYOYSA-N 0 0 573.456 3.469 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000006354095 552581937 /nfs/dbraw/zinc/58/19/37/552581937.db2.gz BBNFIQGZUVIZCO-FGGAIWKESA-N 0 0 573.456 3.469 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000006354135 552581927 /nfs/dbraw/zinc/58/19/27/552581927.db2.gz LYXVPAJXBZBPLQ-KEWOFRHOSA-N 0 0 516.417 3.220 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000006354137 552581933 /nfs/dbraw/zinc/58/19/33/552581933.db2.gz LYXVPAJXBZBPLQ-KZFLWGQDSA-N 0 0 516.417 3.220 40 10 KGCBRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)c1C ZINC000006442794 552585132 /nfs/dbraw/zinc/58/51/32/552585132.db2.gz XAYHHUOMJRVIFS-RDPSFJRHSA-N 0 0 550.685 3.190 40 10 KGCBRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)c1C ZINC000006442797 552585176 /nfs/dbraw/zinc/58/51/76/552585176.db2.gz XAYHHUOMJRVIFS-YKSBVNFPSA-N 0 0 550.685 3.190 40 10 KGCBRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)c1C ZINC000006442829 552585137 /nfs/dbraw/zinc/58/51/37/552585137.db2.gz XAYHHUOMJRVIFS-GBXCKJPGSA-N 0 0 550.685 3.190 40 10 KGCBRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)c1C ZINC000006442830 552585142 /nfs/dbraw/zinc/58/51/42/552585142.db2.gz XAYHHUOMJRVIFS-HYBUGGRVSA-N 0 0 550.685 3.190 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(c1ccccc1F)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000006475498 552593610 /nfs/dbraw/zinc/59/36/10/552593610.db2.gz FKHATEUYNSPGAE-NGQVCNFZSA-N 0 0 572.641 3.477 40 10 KGCBRN CN(C)S(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1 ZINC000006878695 552975894 /nfs/dbraw/zinc/97/58/94/552975894.db2.gz JKJVGJRAIWNXAG-LJAQVGFWSA-N 0 0 606.705 3.316 40 10 KGCBRN CN(C)S(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)cc1 ZINC000006878699 552975927 /nfs/dbraw/zinc/97/59/27/552975927.db2.gz JKJVGJRAIWNXAG-GDLZYMKVSA-N 0 0 606.705 3.316 40 10 KGCBRN CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/N1C(=O)/C(=C\c2cccc(OC)c2O)SC1=S ZINC000008665148 553109283 /nfs/dbraw/zinc/10/92/83/553109283.db2.gz RBTNBMJAJATCHK-JVGWEJFHSA-N 0 0 509.565 3.452 40 10 KGCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NCCCN3CCOCC3)C2=O)cc1OC ZINC000008819959 553154975 /nfs/dbraw/zinc/15/49/75/553154975.db2.gz HOQLYTZMWXNKMA-PYCFMQQDSA-N 0 0 521.705 3.304 40 10 KGCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NCCCN1CCOCC1 ZINC000008820019 553154940 /nfs/dbraw/zinc/15/49/40/553154940.db2.gz AGDVOTPRVHCDHP-PGMHBOJBSA-N 0 0 505.662 3.015 40 10 KGCBRN CCOC(=O)N1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1 ZINC000008820024 553154964 /nfs/dbraw/zinc/15/49/64/553154964.db2.gz UMCULARLAXENJY-HKWRFOASSA-N 0 0 519.645 3.478 40 10 KGCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NCCCN3CCOCC3)C2=O)cc1 ZINC000008820102 553155130 /nfs/dbraw/zinc/15/51/30/553155130.db2.gz FLEIRGKIEPTSFN-UZYVYHOESA-N 0 0 519.689 3.073 40 10 KGCBRN COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(OC)c(Br)c3)CC2)c([N+](=O)[O-])c1 ZINC000008832689 553158122 /nfs/dbraw/zinc/15/81/22/553158122.db2.gz APNFIHFYAKJZGK-UHFFFAOYSA-N 0 0 509.382 3.211 40 10 KGCBRN COc1ccc(N2CCN(C(=S)NC(=O)c3cc(Br)ccc3OC)CC2)c([N+](=O)[O-])c1 ZINC000008832692 553158409 /nfs/dbraw/zinc/15/84/09/553158409.db2.gz XNSDVFSZPBIEKT-UHFFFAOYSA-N 0 0 509.382 3.211 40 10 KGCBRN COc1ccc(N2CCN(C(=S)NC(=O)c3c(F)c(F)c(OC)c(F)c3F)CC2)c([N+](=O)[O-])c1 ZINC000008832699 553158387 /nfs/dbraw/zinc/15/83/87/553158387.db2.gz LPKLKYSZGKXINY-UHFFFAOYSA-N 0 0 502.446 3.005 40 10 KGCBRN COc1cccc([C@H]2[NH2+][C@](Cc3c[nH]c4ccccc34)(C(=O)[O-])[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)c1O ZINC000008867934 553170749 /nfs/dbraw/zinc/17/07/49/553170749.db2.gz NKDHDPSFJYFXGY-HZTMJRFTSA-N 0 0 511.534 3.398 40 10 KGCBRN O=C(NN1C(=O)/C(=C2\SC(=S)N(NC(=O)C3CCCCC3)C2=O)SC1=S)C1CCCCC1 ZINC000008870057 553171427 /nfs/dbraw/zinc/17/14/27/553171427.db2.gz RHUBZZRGJZJVDX-BUHFOSPRSA-N 0 0 512.704 3.142 40 10 KGCBRN COc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000009259359 553228012 /nfs/dbraw/zinc/22/80/12/553228012.db2.gz OZCAUTGVNKFWSC-VGOFMYFVSA-N 0 0 506.334 3.201 40 10 KGCBRN COc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4O)[NH2+][C@@](Cc4c[nH]c5ccccc45)(C(=O)[O-])[C@@H]3C2=O)cc1 ZINC000009510756 553276181 /nfs/dbraw/zinc/27/61/81/553276181.db2.gz PICRDHODHPRNLG-XHHBKWMTSA-N 0 0 511.534 3.398 40 10 KGCBRN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccccc2O)[NH2+][C@@]3(Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000009510757 553276190 /nfs/dbraw/zinc/27/61/90/553276190.db2.gz PICRDHODHPRNLG-RGYUWNBKSA-N 0 0 511.534 3.398 40 10 KGCBRN COc1ccc(N2CCN(C(=O)CCc3nnc4n3c3ccccc3c(=O)n4CCC(C)C)CC2)cc1 ZINC000009831579 553309798 /nfs/dbraw/zinc/30/97/98/553309798.db2.gz HEMUEWVHBJBNIC-UHFFFAOYSA-N 0 0 502.619 3.380 40 10 KGCBRN CCOc1ccccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000010113322 553328940 /nfs/dbraw/zinc/32/89/40/553328940.db2.gz XIXCQIGMBGYABK-UHFFFAOYSA-N 0 0 509.628 3.434 40 10 KGCBRN CCOc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000010113323 553328946 /nfs/dbraw/zinc/32/89/46/553328946.db2.gz QRLXVQLCFMYQIO-UHFFFAOYSA-N 0 0 509.628 3.434 40 10 KGCBRN COc1ccc(OC)c(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000010113324 553328922 /nfs/dbraw/zinc/32/89/22/553328922.db2.gz YQCCDLKXAGXROB-UHFFFAOYSA-N 0 0 525.627 3.052 40 10 KGCBRN COc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000010113325 553328913 /nfs/dbraw/zinc/32/89/13/553328913.db2.gz JECPTGMVEOYJQY-UHFFFAOYSA-N 0 0 525.627 3.052 40 10 KGCBRN COc1cccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010113335 553329113 /nfs/dbraw/zinc/32/91/13/553329113.db2.gz GGWQXZDDUZTKAY-UHFFFAOYSA-N 0 0 509.628 3.352 40 10 KGCBRN COc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010113336 553329088 /nfs/dbraw/zinc/32/90/88/553329088.db2.gz NHSKEVCRIJCWHA-UHFFFAOYSA-N 0 0 509.628 3.352 40 10 KGCBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(C)cc2)cc1 ZINC000010113365 553329093 /nfs/dbraw/zinc/32/90/93/553329093.db2.gz FEWFLGBWCJWBKK-UHFFFAOYSA-N 0 0 509.628 3.352 40 10 KGCBRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc2)cc1 ZINC000010113366 553329100 /nfs/dbraw/zinc/32/91/00/553329100.db2.gz ABUVAQRFZTWMCA-UHFFFAOYSA-N 0 0 509.628 3.434 40 10 KGCBRN COc1ccccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000010113377 553329090 /nfs/dbraw/zinc/32/90/90/553329090.db2.gz XEHNOSGPIQVNMN-UHFFFAOYSA-N 0 0 509.628 3.352 40 10 KGCBRN CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000010113394 553329128 /nfs/dbraw/zinc/32/91/28/553329128.db2.gz OOLOKDHADFLTLO-UHFFFAOYSA-N 0 0 509.628 3.185 40 10 KGCBRN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(N4CCOCC4)cc3)Oc3ccccc32)cc1 ZINC000010113419 553329119 /nfs/dbraw/zinc/32/91/19/553329119.db2.gz OPVFZGQFRXOMGF-AREMUKBSSA-N 0 0 507.612 3.104 40 10 KGCBRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(N4CCOCC4)cc3)Oc3ccccc32)cc1 ZINC000010113420 553329126 /nfs/dbraw/zinc/32/91/26/553329126.db2.gz OPVFZGQFRXOMGF-SANMLTNESA-N 0 0 507.612 3.104 40 10 KGCBRN COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000012498286 553382214 /nfs/dbraw/zinc/38/22/14/553382214.db2.gz ZMIQDYSWTVFGFZ-JPPUBGEISA-N 0 0 511.578 3.474 40 10 KGCBRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000012498339 553382224 /nfs/dbraw/zinc/38/22/24/553382224.db2.gz KEARZKQZRIIMQC-IILZIBOQSA-N 0 0 509.628 3.070 40 10 KGCBRN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@](Cc2c[nH]c4ccccc24)(C(=O)[O-])[NH2+][C@@H]3c2ccccc2O)cc1 ZINC000013557181 553471327 /nfs/dbraw/zinc/47/13/27/553471327.db2.gz PICRDHODHPRNLG-MNGFJMBLSA-N 0 0 511.534 3.398 40 10 KGCBRN COc1ccc(N2CCN(C(=O)c3ccc(OC)c(S(=O)(=O)NCCc4ccccc4)c3)CC2)cc1 ZINC000013581919 553475802 /nfs/dbraw/zinc/47/58/02/553475802.db2.gz JTZOTYLYMPSJMS-UHFFFAOYSA-N 0 0 509.628 3.187 40 10 KGCBRN COc1ccc(C)cc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000013613823 553478045 /nfs/dbraw/zinc/47/80/45/553478045.db2.gz PZFMAPXCWHMDCM-UHFFFAOYSA-N 0 0 509.628 3.352 40 10 KGCBRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)cc1OC ZINC000013632094 553478487 /nfs/dbraw/zinc/47/84/87/553478487.db2.gz BJGCUFLSWNXMLQ-UHFFFAOYSA-N 0 0 525.627 3.296 40 10 KGCBRN CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000013648702 553480348 /nfs/dbraw/zinc/48/03/48/553480348.db2.gz QCGKWEZZGGICDN-UHFFFAOYSA-N 0 0 505.946 3.278 40 10 KGCBRN COc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000013669043 553481291 /nfs/dbraw/zinc/48/12/91/553481291.db2.gz IGHHMUCNWGZTJE-UHFFFAOYSA-N 0 0 525.627 3.052 40 10 KGCBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(F)cc2)cc1 ZINC000013672188 553482123 /nfs/dbraw/zinc/48/21/23/553482123.db2.gz VYKLIZSXNVDPGL-UHFFFAOYSA-N 0 0 513.591 3.183 40 10 KGCBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc2)cc1OC ZINC000013673228 553482306 /nfs/dbraw/zinc/48/23/06/553482306.db2.gz OYIMSCSLQJROMY-UHFFFAOYSA-N 0 0 525.627 3.052 40 10 KGCBRN CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000013673640 553482283 /nfs/dbraw/zinc/48/22/83/553482283.db2.gz MYHNYFISVOEEIF-UHFFFAOYSA-N 0 0 505.946 3.278 40 10 KGCBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc2OC)cc1 ZINC000013676428 553482779 /nfs/dbraw/zinc/48/27/79/553482779.db2.gz LZAZAVMEUBYACX-UHFFFAOYSA-N 0 0 525.627 3.052 40 10 KGCBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(OCc4ccccc4)cc3)S(C)(=O)=O)CC2)cc1 ZINC000014153452 553503411 /nfs/dbraw/zinc/50/34/11/553503411.db2.gz JIXRZZWEFNVEIO-UHFFFAOYSA-N 0 0 509.628 3.389 40 10 KGCBRN O=C(CCN1C(=O)C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O)Nc1ccc(O)cc1 ZINC000015057145 553527117 /nfs/dbraw/zinc/52/71/17/553527117.db2.gz BJLRZVOEXCLAJG-FGCIGMJBSA-N 0 0 507.593 3.306 40 10 KGCBRN COc1cccc([C@H]2[NH2+][C@](Cc3c[nH]c4ccccc34)(C(=O)[O-])[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c1O ZINC000015276182 553530323 /nfs/dbraw/zinc/53/03/23/553530323.db2.gz NKDHDPSFJYFXGY-OODISRMCSA-N 0 0 511.534 3.398 40 10 KGCBRN COc1ccc(N2CCN(c3nc(NCCc4ccc(OC)c(OC)c4)nc(N4CCCC4)n3)CC2)cc1 ZINC000015304008 553530912 /nfs/dbraw/zinc/53/09/12/553530912.db2.gz AWTUURQQUOCLJL-UHFFFAOYSA-N 0 0 519.650 3.479 40 10 KGCBRN COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)C2=O)cc1OC ZINC000016036762 553552342 /nfs/dbraw/zinc/55/23/42/553552342.db2.gz YYYRHORPWVAFHM-HEBPPMISSA-N 0 0 525.652 3.103 40 10 KGCBRN OCCN(CCO)c1ccc(C(Cl)(c2ccc(Cl)cc2)c2ccc(N(CCO)CCO)cc2)cc1 ZINC000016401200 553562806 /nfs/dbraw/zinc/56/28/06/553562806.db2.gz AUXWTORBMDGIMZ-UHFFFAOYSA-N 0 0 519.469 3.453 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(F)F)cc1 ZINC000016740700 553579385 /nfs/dbraw/zinc/57/93/85/553579385.db2.gz PERGYSVAUZMIST-VOSMRYOYSA-N 0 0 513.566 3.466 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(F)F)cc1 ZINC000016740701 553579387 /nfs/dbraw/zinc/57/93/87/553579387.db2.gz PERGYSVAUZMIST-FGGAIWKESA-N 0 0 513.566 3.466 40 10 KGCBRN CN(C)c1ccc(/C=c2\sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(=O)Nc2ccccc2)cc1 ZINC000016740731 553579583 /nfs/dbraw/zinc/57/95/83/553579583.db2.gz LYUDETRYFXGFLM-AKQYKPSTSA-N 0 0 510.619 3.391 40 10 KGCBRN CN(C)c1ccc(/C=c2\sc3n(c2=O)[C@@H]2c4ccccc4O[C@](C)(N=3)[C@H]2C(=O)Nc2ccccc2)cc1 ZINC000016740732 553579612 /nfs/dbraw/zinc/57/96/12/553579612.db2.gz LYUDETRYFXGFLM-ODVSPCCXSA-N 0 0 510.619 3.391 40 10 KGCBRN CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\N1C(=O)/C(=C/c2cccc(OC)c2O)SC1=S ZINC000017223243 553591005 /nfs/dbraw/zinc/59/10/05/553591005.db2.gz RBTNBMJAJATCHK-JEIQTDJMSA-N 0 0 509.565 3.452 40 10 KGCBRN CCN1CCN(C2=NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)S2)CC1 ZINC000019842294 553623193 /nfs/dbraw/zinc/62/31/93/553623193.db2.gz FZXNEAAVZQXHMU-JWGURIENSA-N 0 0 501.630 3.379 40 10 KGCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(C)cc(C)c4[nH]c3=O)CC2)cc1 ZINC000019940334 553638711 /nfs/dbraw/zinc/63/87/11/553638711.db2.gz UCGXTNYNJSOBDU-RPLLCQBOSA-N 0 0 529.645 3.231 40 10 KGCBRN COc1ccc(N2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(C)cc(C)c4[nH]c3=O)CC2)cc1 ZINC000019940335 553638751 /nfs/dbraw/zinc/63/87/51/553638751.db2.gz UCGXTNYNJSOBDU-IGKIAQTJSA-N 0 0 529.645 3.231 40 10 KGCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(C)cc(C)c4[nH]c3=O)CC2)cc1 ZINC000019940336 553638733 /nfs/dbraw/zinc/63/87/33/553638733.db2.gz UCGXTNYNJSOBDU-SHQCIBLASA-N 0 0 529.645 3.231 40 10 KGCBRN COc1ccc(N2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(C)cc(C)c4[nH]c3=O)CC2)cc1 ZINC000019940337 553638757 /nfs/dbraw/zinc/63/87/57/553638757.db2.gz UCGXTNYNJSOBDU-SQHAQQRYSA-N 0 0 529.645 3.231 40 10 KGCBRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000019940738 553640644 /nfs/dbraw/zinc/64/06/44/553640644.db2.gz XAJBOOWRWDTIOG-RPLLCQBOSA-N 0 0 529.645 3.176 40 10 KGCBRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000019940739 553640686 /nfs/dbraw/zinc/64/06/86/553640686.db2.gz XAJBOOWRWDTIOG-IGKIAQTJSA-N 0 0 529.645 3.176 40 10 KGCBRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000019940740 553640697 /nfs/dbraw/zinc/64/06/97/553640697.db2.gz XAJBOOWRWDTIOG-SHQCIBLASA-N 0 0 529.645 3.176 40 10 KGCBRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000019940741 553640646 /nfs/dbraw/zinc/64/06/46/553640646.db2.gz XAJBOOWRWDTIOG-SQHAQQRYSA-N 0 0 529.645 3.176 40 10 KGCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940832 553641151 /nfs/dbraw/zinc/64/11/51/553641151.db2.gz VNJCHFJZUBZSPG-RPLLCQBOSA-N 0 0 529.645 3.231 40 10 KGCBRN COc1ccc(N2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940833 553641198 /nfs/dbraw/zinc/64/11/98/553641198.db2.gz VNJCHFJZUBZSPG-IGKIAQTJSA-N 0 0 529.645 3.231 40 10 KGCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940834 553641259 /nfs/dbraw/zinc/64/12/59/553641259.db2.gz VNJCHFJZUBZSPG-SHQCIBLASA-N 0 0 529.645 3.231 40 10 KGCBRN COc1ccc(N2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940835 553641213 /nfs/dbraw/zinc/64/12/13/553641213.db2.gz VNJCHFJZUBZSPG-SQHAQQRYSA-N 0 0 529.645 3.231 40 10 KGCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)cc1 ZINC000019940910 553641689 /nfs/dbraw/zinc/64/16/89/553641689.db2.gz DPEIOICCMOHQPB-WNCULLNHSA-N 0 0 529.645 3.231 40 10 KGCBRN COc1ccc(N2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)cc1 ZINC000019940911 553641705 /nfs/dbraw/zinc/64/17/05/553641705.db2.gz DPEIOICCMOHQPB-HOFKKMOUSA-N 0 0 529.645 3.231 40 10 KGCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)cc1 ZINC000019940912 553641727 /nfs/dbraw/zinc/64/17/27/553641727.db2.gz DPEIOICCMOHQPB-YIXXDRMTSA-N 0 0 529.645 3.231 40 10 KGCBRN COc1ccc(N2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)cc1 ZINC000019940913 553641639 /nfs/dbraw/zinc/64/16/39/553641639.db2.gz DPEIOICCMOHQPB-KCWPFWIISA-N 0 0 529.645 3.231 40 10 KGCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940986 553642194 /nfs/dbraw/zinc/64/21/94/553642194.db2.gz XCUMOWSHSDKMQI-WNCULLNHSA-N 0 0 529.645 3.231 40 10 KGCBRN COc1ccc(N2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940987 553642145 /nfs/dbraw/zinc/64/21/45/553642145.db2.gz XCUMOWSHSDKMQI-HOFKKMOUSA-N 0 0 529.645 3.231 40 10 KGCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940988 553642129 /nfs/dbraw/zinc/64/21/29/553642129.db2.gz XCUMOWSHSDKMQI-YIXXDRMTSA-N 0 0 529.645 3.231 40 10 KGCBRN COc1ccc(N2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)cc1 ZINC000019940989 553642166 /nfs/dbraw/zinc/64/21/66/553642166.db2.gz XCUMOWSHSDKMQI-KCWPFWIISA-N 0 0 529.645 3.231 40 10 KGCBRN COc1ccc(N2CCN(C(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000020060754 553672392 /nfs/dbraw/zinc/67/23/92/553672392.db2.gz JKFJFTQKABDBLZ-UHFFFAOYSA-N 0 0 510.572 3.148 40 10 KGCBRN COc1ccc(N2CCN(C(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000020060786 553672660 /nfs/dbraw/zinc/67/26/60/553672660.db2.gz IEQSWNQWJSKVQJ-UHFFFAOYSA-N 0 0 510.572 3.148 40 10 KGCBRN COc1ccc(N2CCN(C(=O)CN(c3cc(OC)ccc3OC)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000020060798 553672727 /nfs/dbraw/zinc/67/27/27/553672727.db2.gz CQZPPBMPULNRSG-UHFFFAOYSA-N 0 0 525.627 3.257 40 10 KGCBRN COc1ccc(N2CCN(C(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000020060833 553672939 /nfs/dbraw/zinc/67/29/39/553672939.db2.gz GQOLJYZJQXKAAS-UHFFFAOYSA-N 0 0 510.572 3.148 40 10 KGCBRN COc1ccc(N2CCN(C(=O)CN(c3ccc(OC)cc3OC)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000020061180 553674479 /nfs/dbraw/zinc/67/44/79/553674479.db2.gz MWQGMMFJJAAKBE-UHFFFAOYSA-N 0 0 525.627 3.257 40 10 KGCBRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020081086 553680174 /nfs/dbraw/zinc/68/01/74/553680174.db2.gz SOBIEXJHSDWVPP-VWLOTQADSA-N 0 0 531.617 3.309 40 10 KGCBRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020081089 553680273 /nfs/dbraw/zinc/68/02/73/553680273.db2.gz SOBIEXJHSDWVPP-RUZDIDTESA-N 0 0 531.617 3.309 40 10 KGCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C3CCCC3)c3cc4cc5c(cc4[nH]c3=O)OCO5)CC2)cc1 ZINC000020081092 553680280 /nfs/dbraw/zinc/68/02/80/553680280.db2.gz QKQSBDUGOJIENT-AREMUKBSSA-N 0 0 529.601 3.279 40 10 KGCBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCC3)c3cc4cc5c(cc4[nH]c3=O)OCO5)CC2)cc1 ZINC000020081095 553680207 /nfs/dbraw/zinc/68/02/07/553680207.db2.gz QKQSBDUGOJIENT-SANMLTNESA-N 0 0 529.601 3.279 40 10 KGCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C(C)(C)C)c3cc4cc(OC)ccc4[nH]c3=O)CC2)cc1 ZINC000020083818 553684761 /nfs/dbraw/zinc/68/47/61/553684761.db2.gz OTVYACHJMVAAMR-XMMPIXPASA-N 0 0 503.607 3.198 40 10 KGCBRN COc1ccc(N2CCN([C@H](c3nnnn3C(C)(C)C)c3cc4cc(OC)ccc4[nH]c3=O)CC2)cc1 ZINC000020083821 553684854 /nfs/dbraw/zinc/68/48/54/553684854.db2.gz OTVYACHJMVAAMR-DEOSSOPVSA-N 0 0 503.607 3.198 40 10 KGCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C(C)(C)C)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000020084043 553685355 /nfs/dbraw/zinc/68/53/55/553685355.db2.gz GFMFEQVXBYGJIL-XMMPIXPASA-N 0 0 503.607 3.198 40 10 KGCBRN COc1ccc(N2CCN([C@H](c3nnnn3C(C)(C)C)c3cc4ccc(OC)cc4[nH]c3=O)CC2)cc1 ZINC000020084046 553685350 /nfs/dbraw/zinc/68/53/50/553685350.db2.gz GFMFEQVXBYGJIL-DEOSSOPVSA-N 0 0 503.607 3.198 40 10 KGCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C(C)(C)C)c3cc4cc(OC)c(OC)cc4[nH]c3=O)CC2)cc1 ZINC000020084174 553685583 /nfs/dbraw/zinc/68/55/83/553685583.db2.gz YELIXTBJGSXJDG-RUZDIDTESA-N 0 0 533.633 3.207 40 10 KGCBRN COc1ccc(N2CCN([C@H](c3nnnn3C(C)(C)C)c3cc4cc(OC)c(OC)cc4[nH]c3=O)CC2)cc1 ZINC000020084177 553685486 /nfs/dbraw/zinc/68/54/86/553685486.db2.gz YELIXTBJGSXJDG-VWLOTQADSA-N 0 0 533.633 3.207 40 10 KGCBRN CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000020150742 553595235 /nfs/dbraw/zinc/59/52/35/553595235.db2.gz SIDNEXDYTQIFQG-HXFQDRMMSA-N 0 0 507.587 3.076 40 10 KGCBRN CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000020150743 553595521 /nfs/dbraw/zinc/59/55/21/553595521.db2.gz SIDNEXDYTQIFQG-TVQWTUMOSA-N 0 0 507.587 3.076 40 10 KGCBRN CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000020150745 553595532 /nfs/dbraw/zinc/59/55/32/553595532.db2.gz SIDNEXDYTQIFQG-KVOKEACQSA-N 0 0 507.587 3.076 40 10 KGCBRN COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000020150758 553595525 /nfs/dbraw/zinc/59/55/25/553595525.db2.gz KLYGRUJBBGOLEV-MGLAESSXSA-N 0 0 527.577 3.042 40 10 KGCBRN COC(=O)[C@@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000020150760 553595492 /nfs/dbraw/zinc/59/54/92/553595492.db2.gz KLYGRUJBBGOLEV-PYOQLBSMSA-N 0 0 527.577 3.042 40 10 KGCBRN COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000020150761 553595529 /nfs/dbraw/zinc/59/55/29/553595529.db2.gz KLYGRUJBBGOLEV-JPPUBGEISA-N 0 0 527.577 3.042 40 10 KGCBRN COC(=O)[C@]1(c2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000020150811 553595527 /nfs/dbraw/zinc/59/55/27/553595527.db2.gz ZMIQDYSWTVFGFZ-NHICWYPXSA-N 0 0 511.578 3.474 40 10 KGCBRN COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000020150813 553595462 /nfs/dbraw/zinc/59/54/62/553595462.db2.gz ZMIQDYSWTVFGFZ-YYZJCXNBSA-N 0 0 511.578 3.474 40 10 KGCBRN COC(=O)[C@]1(CCSC)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000020150827 553595485 /nfs/dbraw/zinc/59/54/85/553595485.db2.gz KEARZKQZRIIMQC-GRSOWLQASA-N 0 0 509.628 3.070 40 10 KGCBRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000020150829 553595467 /nfs/dbraw/zinc/59/54/67/553595467.db2.gz KEARZKQZRIIMQC-QSGNWFJVSA-N 0 0 509.628 3.070 40 10 KGCBRN CC(NCCc1ccc(S(N)(=O)=O)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000020287992 553633088 /nfs/dbraw/zinc/63/30/88/553633088.db2.gz HQVYOLUJSLDTLG-QJOMJCCJSA-N 0 0 505.556 3.099 40 10 KGCBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000020288659 553633378 /nfs/dbraw/zinc/63/33/78/553633378.db2.gz PMKGTYMGRNZRLW-ULJHMMPZSA-N 0 0 506.584 3.166 40 10 KGCBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000020288667 553633498 /nfs/dbraw/zinc/63/34/98/553633498.db2.gz KPBYVEVTMCYFTA-BWAHOGKJSA-N 0 0 520.611 3.208 40 10 KGCBRN COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000020288668 553633477 /nfs/dbraw/zinc/63/34/77/553633477.db2.gz KBQAQMSBIMFBDT-ULJHMMPZSA-N 0 0 508.575 3.339 40 10 KGCBRN O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000020485627 553658878 /nfs/dbraw/zinc/65/88/78/553658878.db2.gz IOLJZTYGEBAPEP-UHFFFAOYSA-N 0 0 510.031 3.174 40 10 KGCBRN COc1ccc(N2CCN(C(=O)COc3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)CC2)cc1 ZINC000022231290 553727975 /nfs/dbraw/zinc/72/79/75/553727975.db2.gz HUKQLYYVRQKHMF-UHFFFAOYSA-N 0 0 509.628 3.389 40 10 KGCBRN COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 ZINC000022246933 553730281 /nfs/dbraw/zinc/73/02/81/553730281.db2.gz JFAPHZZBOQEEHF-RUZDIDTESA-N 0 0 523.655 3.251 40 10 KGCBRN COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 ZINC000022246936 553730260 /nfs/dbraw/zinc/73/02/60/553730260.db2.gz JFAPHZZBOQEEHF-VWLOTQADSA-N 0 0 523.655 3.251 40 10 KGCBRN COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1 ZINC000022247254 553730575 /nfs/dbraw/zinc/73/05/75/553730575.db2.gz JABRZFLVFOMTDR-AREMUKBSSA-N 0 0 523.655 3.251 40 10 KGCBRN COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1 ZINC000022247257 553730609 /nfs/dbraw/zinc/73/06/09/553730609.db2.gz JABRZFLVFOMTDR-SANMLTNESA-N 0 0 523.655 3.251 40 10 KGCBRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000022247745 553730838 /nfs/dbraw/zinc/73/08/38/553730838.db2.gz ZJVNHGLBDXRXAD-MHZLTWQESA-N 0 0 523.655 3.332 40 10 KGCBRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000022247748 553730782 /nfs/dbraw/zinc/73/07/82/553730782.db2.gz ZJVNHGLBDXRXAD-HHHXNRCGSA-N 0 0 523.655 3.332 40 10 KGCBRN COc1ccc(N2CCN(C(=O)[C@@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)CC2)cc1 ZINC000026113138 553815635 /nfs/dbraw/zinc/81/56/35/553815635.db2.gz DMODQYGUWXAOHX-SANMLTNESA-N 0 0 507.612 3.141 40 10 KGCBRN COc1ccc(N2CCN(C(=O)[C@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)CC2)cc1 ZINC000026113146 553815639 /nfs/dbraw/zinc/81/56/39/553815639.db2.gz DMODQYGUWXAOHX-AREMUKBSSA-N 0 0 507.612 3.141 40 10 KGCBRN CCNc1nc2nnc(SCC(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)n2c(NCC)n1 ZINC000026532290 1060054541 /nfs/dbraw/zinc/05/45/41/1060054541.db2.gz KXRBLQKVLVNZQZ-UHFFFAOYSA-N 0 0 504.642 3.231 40 10 KGCBRN Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000026840907 1060054422 /nfs/dbraw/zinc/05/44/22/1060054422.db2.gz ZJQHDKWLHHIICK-GYZOOYGHSA-N 0 0 513.622 3.184 40 10 KGCBRN Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000026840912 1060054470 /nfs/dbraw/zinc/05/44/70/1060054470.db2.gz ZJQHDKWLHHIICK-BRFSQIRFSA-N 0 0 513.622 3.184 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]nc3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000028296196 1060054942 /nfs/dbraw/zinc/05/49/42/1060054942.db2.gz XHODQZAVTFUELM-WNRWPCNTSA-N 0 0 513.623 3.254 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]nc3-c3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000028296198 1060055067 /nfs/dbraw/zinc/05/50/67/1060055067.db2.gz XHODQZAVTFUELM-DIXABZHVSA-N 0 0 513.623 3.254 40 10 KGCBRN CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OS(C)(=O)=O ZINC000033734116 553971059 /nfs/dbraw/zinc/97/10/59/553971059.db2.gz QOTDFRVPAFAFDH-BFWAWTAVSA-N 0 0 505.965 3.140 40 10 KGCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000034762956 554002184 /nfs/dbraw/zinc/00/21/84/554002184.db2.gz AXELITYNHFKNCN-FNGUVFISSA-N 0 0 512.429 3.237 40 10 KGCBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000034762963 554002141 /nfs/dbraw/zinc/00/21/41/554002141.db2.gz AXELITYNHFKNCN-CNSVBDKNSA-N 0 0 512.429 3.237 40 10 KGCBRN CN(C)c1ccc(/C=c2\sc3n(c2=O)[C@@H]2c4ccccc4O[C@](C)(N=3)[C@@H]2C(=O)Nc2ccccc2)cc1 ZINC000035982212 554118813 /nfs/dbraw/zinc/11/88/13/554118813.db2.gz LYUDETRYFXGFLM-VBSMMSANSA-N 0 0 510.619 3.391 40 10 KGCBRN CCOc1ccc(N2C(=O)C(=CNc3ccc(C(=O)OCC[NH+](CC)CC)cc3)C(=O)[N-]C2=S)cc1 ZINC000038177758 1060055520 /nfs/dbraw/zinc/05/55/20/1060055520.db2.gz ICWTXCRJDPHLMH-XLNRJJMWSA-N 0 0 510.616 3.328 40 10 KGCBRN NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)o2)cc1 ZINC000038203801 554274128 /nfs/dbraw/zinc/27/41/28/554274128.db2.gz WTYCEMGKJOQGTN-KQWNVCNZSA-N 0 0 508.625 3.382 40 10 KGCBRN O=C(COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1)N1CCOCC1 ZINC000040940344 554291656 /nfs/dbraw/zinc/29/16/56/554291656.db2.gz WHYOZPRVUOSCCN-CPNJWEJPSA-N 0 0 518.016 3.124 40 10 KGCBRN Cc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000041077675 554292942 /nfs/dbraw/zinc/29/29/42/554292942.db2.gz CKMNJCLROQWYSG-GKKSZPRESA-N 0 0 506.953 3.277 40 10 KGCBRN Cc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000041077706 554292966 /nfs/dbraw/zinc/29/29/66/554292966.db2.gz YKAANKREQJLMBF-IAYHVCARSA-N 0 0 506.407 3.478 40 10 KGCBRN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4Cl)cc3)C2=N)S1 ZINC000041077746 554292977 /nfs/dbraw/zinc/29/29/77/554292977.db2.gz HJRSYJLEHIEWCL-OPAADGBVSA-N 0 0 504.977 3.419 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 ZINC000041077762 554293234 /nfs/dbraw/zinc/29/32/34/554293234.db2.gz PMFKSZTXOSZLAN-WPTKKBASSA-N 0 0 514.585 3.083 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000041077763 554293274 /nfs/dbraw/zinc/29/32/74/554293274.db2.gz DJVSZBKBQLBXHW-WPTKKBASSA-N 0 0 514.585 3.083 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1ccccc1C ZINC000041077764 554293266 /nfs/dbraw/zinc/29/32/66/554293266.db2.gz LRBWAAWLOYDEEE-YXBAXSDQSA-N 0 0 514.585 3.083 40 10 KGCBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1ccccc1 ZINC000041077765 554293257 /nfs/dbraw/zinc/29/32/57/554293257.db2.gz ZIKBVDOADMOCQK-YHBINRDGSA-N 0 0 514.585 3.164 40 10 KGCBRN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4)c(Cl)c3)C2=N)S1 ZINC000041077766 554293284 /nfs/dbraw/zinc/29/32/84/554293284.db2.gz UFVCWOARCKNYBU-PMOKRTJVSA-N 0 0 504.977 3.419 40 10 KGCBRN COc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1 ZINC000041077774 554293252 /nfs/dbraw/zinc/29/32/52/554293252.db2.gz AGLJHJUZMIFUEB-FBIWUZAXSA-N 0 0 514.585 3.164 40 10 KGCBRN COc1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 ZINC000041077783 554293278 /nfs/dbraw/zinc/29/32/78/554293278.db2.gz KUMDHGWOBDMUJM-GETDDEKSSA-N 0 0 514.585 3.164 40 10 KGCBRN COc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1 ZINC000041077785 554293270 /nfs/dbraw/zinc/29/32/70/554293270.db2.gz WSELHGJJCNTTDW-RYEIUNSYSA-N 0 0 514.585 3.164 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccccc1 ZINC000041077787 554293280 /nfs/dbraw/zinc/29/32/80/554293280.db2.gz CWZZBYUABZJQJZ-YHBINRDGSA-N 0 0 514.585 3.164 40 10 KGCBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1F ZINC000041077824 554293443 /nfs/dbraw/zinc/29/34/43/554293443.db2.gz SFQKQVLBCXPJTC-WTZVULCFSA-N 0 0 502.549 3.425 40 10 KGCBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000041077851 554293430 /nfs/dbraw/zinc/29/34/30/554293430.db2.gz MORWTZPULCWMMA-MLDLNWIHSA-N 0 0 512.569 3.234 40 10 KGCBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000041077853 554293468 /nfs/dbraw/zinc/29/34/68/554293468.db2.gz SNIWQPFMXJSABF-MLDLNWIHSA-N 0 0 512.569 3.234 40 10 KGCBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000041077854 554293461 /nfs/dbraw/zinc/29/34/61/554293461.db2.gz FKKJREPGTLTQJL-ISFIWZGBSA-N 0 0 516.532 3.065 40 10 KGCBRN Cc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1 ZINC000041077857 554293398 /nfs/dbraw/zinc/29/33/98/554293398.db2.gz WQMGLCZFROQITG-WMYZHHRISA-N 0 0 502.961 3.489 40 10 KGCBRN Cc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1 ZINC000041077858 554293392 /nfs/dbraw/zinc/29/33/92/554293392.db2.gz PUNMMUUCRUPSHU-WMYZHHRISA-N 0 0 502.961 3.489 40 10 KGCBRN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(F)cc4)c(Cl)c3)C2=N)S1 ZINC000041077859 554293428 /nfs/dbraw/zinc/29/34/28/554293428.db2.gz OOCUCQQIGVATIP-AZFHZWMESA-N 0 0 506.924 3.320 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCSc1ccccc1 ZINC000041077860 554293466 /nfs/dbraw/zinc/29/34/66/554293466.db2.gz HYXKKSXJOHEABA-OMLAYDHKSA-N 0 0 516.626 3.488 40 10 KGCBRN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)C2=N)S1 ZINC000041077873 554293387 /nfs/dbraw/zinc/29/33/87/554293387.db2.gz SQTIWVPVWJSYCZ-LEJACGOASA-N 0 0 507.553 3.040 40 10 KGCBRN CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4cccc(Cl)c4)cc3)C(=N)N21 ZINC000041077900 554293786 /nfs/dbraw/zinc/29/37/86/554293786.db2.gz VHEDACMNSHXJCE-RMXFNUKNSA-N 0 0 504.977 3.419 40 10 KGCBRN COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCCOc1cc(C)cc(C)c1 ZINC000041077953 554293758 /nfs/dbraw/zinc/29/37/58/554293758.db2.gz KFLLSRPEAIUIRH-UHFFFAOYSA-N 0 0 505.390 3.447 40 10 KGCBRN COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCCOc1cc(C)ccc1C ZINC000041077954 554293800 /nfs/dbraw/zinc/29/38/00/554293800.db2.gz SIYORVVIPZPOEG-UHFFFAOYSA-N 0 0 505.390 3.447 40 10 KGCBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cc(OC)ccc4OC)c3C)C2=N)S1 ZINC000041083815 554293983 /nfs/dbraw/zinc/29/39/83/554293983.db2.gz AMXYGCHMBGVFLJ-HRIUQOHOSA-N 0 0 501.590 3.123 40 10 KGCBRN 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CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 ZINC000097964404 553898061 /nfs/dbraw/zinc/89/80/61/553898061.db2.gz YJAADXLAOZPUIO-LCQIMXFNSA-N 0 0 528.612 3.473 40 10 KGCBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCOc1ccccc1OC ZINC000097964406 553898075 /nfs/dbraw/zinc/89/80/75/553898075.db2.gz LKKFBUQVYWBGKF-SQPBVYQDSA-N 0 0 544.611 3.173 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 ZINC000097964408 553898058 /nfs/dbraw/zinc/89/80/58/553898058.db2.gz JVELBKJSYNGPNU-KUYAPCGNSA-N 0 0 544.611 3.091 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(OC)c1OCCOc1cccc(C)c1 ZINC000097964409 553898056 /nfs/dbraw/zinc/89/80/56/553898056.db2.gz RJKYTISDIZTJES-KUYAPCGNSA-N 0 0 544.611 3.091 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1C ZINC000097964410 553898088 /nfs/dbraw/zinc/89/80/88/553898088.db2.gz FTOHXGMCTGFPPF-HPFDFQMNSA-N 0 0 544.611 3.091 40 10 KGCBRN COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Cl ZINC000097964413 553898073 /nfs/dbraw/zinc/89/80/73/553898073.db2.gz WZEKROWYVOASRU-YUCAUXNYSA-N 0 0 535.003 3.428 40 10 KGCBRN COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1 ZINC000097964420 553898062 /nfs/dbraw/zinc/89/80/62/553898062.db2.gz JVDMUTIZQOSHFQ-KMFLQCEESA-N 0 0 535.003 3.428 40 10 KGCBRN COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1 ZINC000097964424 553898078 /nfs/dbraw/zinc/89/80/78/553898078.db2.gz CYTYQMLBBRGSDC-MLDLNWIHSA-N 0 0 535.003 3.428 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1 ZINC000097964425 553898066 /nfs/dbraw/zinc/89/80/66/553898066.db2.gz ZKEMEODJFFUCOR-WTZVULCFSA-N 0 0 535.003 3.428 40 10 KGCBRN COc1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1OC ZINC000097964433 553898457 /nfs/dbraw/zinc/89/84/57/553898457.db2.gz MLUZEQDEBBKBBV-SQPBVYQDSA-N 0 0 544.611 3.173 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccc(C)cc1 ZINC000097964435 553898388 /nfs/dbraw/zinc/89/83/88/553898388.db2.gz DFZMMKNDZLZRSH-LCQIMXFNSA-N 0 0 528.612 3.473 40 10 KGCBRN COc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2OC)cc1 ZINC000097964436 553898448 /nfs/dbraw/zinc/89/84/48/553898448.db2.gz YANLTUHBPXBBTA-LCQIMXFNSA-N 0 0 544.611 3.173 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1cccc(C)c1 ZINC000097964437 553898452 /nfs/dbraw/zinc/89/84/52/553898452.db2.gz OIYCPQPNHMPGMS-LCQIMXFNSA-N 0 0 528.612 3.473 40 10 KGCBRN COc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2OC)c1 ZINC000097964442 553898362 /nfs/dbraw/zinc/89/83/62/553898362.db2.gz MNENMKVEPKRWBK-JLFKZYKSSA-N 0 0 544.611 3.173 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCCCOc1ccccc1C ZINC000097964445 553898466 /nfs/dbraw/zinc/89/84/66/553898466.db2.gz HIGFITGVBLFMFR-IHVOSJJMSA-N 0 0 528.612 3.473 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OC(=O)c1cccs1 ZINC000097964479 553898720 /nfs/dbraw/zinc/89/87/20/553898720.db2.gz NUDDEGOXOCVJFQ-QNBSHATCSA-N 0 0 524.989 3.251 40 10 KGCBRN COc1cccc(C(=O)Oc2c(Cl)cc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2OC)c1 ZINC000097964481 553898718 /nfs/dbraw/zinc/89/87/18/553898718.db2.gz DABQEYKCEYKFBS-DUIHUKNUSA-N 0 0 548.986 3.198 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccccc1 ZINC000097964482 553898705 /nfs/dbraw/zinc/89/87/05/553898705.db2.gz FHHCNYYTTZTNSW-JXFDPVBFSA-N 0 0 518.960 3.189 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(C)cc1 ZINC000097964483 553898643 /nfs/dbraw/zinc/89/86/43/553898643.db2.gz GVEIQIUGPOPRKM-KOPIEYAMSA-N 0 0 532.987 3.497 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccccc1Cl ZINC000097964484 553898714 /nfs/dbraw/zinc/89/87/14/553898714.db2.gz VNTCCDVGJVQILG-MTLBIAMWSA-N 0 0 518.960 3.189 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000097964486 553898672 /nfs/dbraw/zinc/89/86/72/553898672.db2.gz SVHUWUWYKMASEI-WMYZHHRISA-N 0 0 518.960 3.189 40 10 KGCBRN COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1 ZINC000097964493 553898970 /nfs/dbraw/zinc/89/89/70/553898970.db2.gz OVQJGZJYMUGPSG-WMYZHHRISA-N 0 0 518.960 3.189 40 10 KGCBRN COc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1 ZINC000097964496 553898895 /nfs/dbraw/zinc/89/88/95/553898895.db2.gz WFXJIYBOARDYMP-YXZMWACZSA-N 0 0 518.960 3.189 40 10 KGCBRN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OC(=O)c4ccccc4)c(Br)c3)C2=N)S1 ZINC000097964497 553898967 /nfs/dbraw/zinc/89/89/67/553898967.db2.gz OWRNKAVILFFPDB-UCSNHUBVSA-N 0 0 533.385 3.290 40 10 KGCBRN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)c(Br)c3)C2=N)S1 ZINC000097964499 553898989 /nfs/dbraw/zinc/89/89/89/553898989.db2.gz PSLJPBGVRNGGBF-IHCXJTTMSA-N 0 0 539.414 3.351 40 10 KGCBRN COc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)cc1 ZINC000097964505 553898991 /nfs/dbraw/zinc/89/89/91/553898991.db2.gz ASXANLSOZVMRCP-QGUUBAPPSA-N 0 0 523.596 3.350 40 10 KGCBRN COc1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c2ccccc21 ZINC000097964506 553898981 /nfs/dbraw/zinc/89/89/81/553898981.db2.gz VHDDWLORFRXPOC-IHVOSJJMSA-N 0 0 523.596 3.350 40 10 KGCBRN COc1cccc(OCCn2cc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)c1 ZINC000097964507 553898959 /nfs/dbraw/zinc/89/89/59/553898959.db2.gz ZUVOBHUQOOLOQH-OSZNWEDFSA-N 0 0 523.596 3.350 40 10 KGCBRN COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c1 ZINC000097964516 553899000 /nfs/dbraw/zinc/89/90/00/553899000.db2.gz DNLNVEZXMNKSMQ-KMFLQCEESA-N 0 0 535.003 3.428 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000097964519 553898942 /nfs/dbraw/zinc/89/89/42/553898942.db2.gz WWBTUMAVRSZPDK-UYAJQHSGSA-N 0 0 613.493 3.155 40 10 KGCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)cc1 ZINC000097964521 553899266 /nfs/dbraw/zinc/89/92/66/553899266.db2.gz QAZNDLVKYDWINP-UJADIJFVSA-N 0 0 539.016 3.037 40 10 KGCBRN COc1cc(Cl)c(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)c(OC)c1 ZINC000097964522 553899180 /nfs/dbraw/zinc/89/91/80/553899180.db2.gz IUPDNQMLMXRFKQ-JNHVIYSYSA-N 0 0 522.008 3.386 40 10 KGCBRN COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1 ZINC000097964684 553900092 /nfs/dbraw/zinc/90/00/92/553900092.db2.gz CNCWQQDKQKWUCX-YPRURGTBSA-N 0 0 523.600 3.322 40 10 KGCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4cc(=O)n5nc(C)sc5n4)c(OC)c3)C2=N)S1 ZINC000097964687 553900109 /nfs/dbraw/zinc/90/01/09/553900109.db2.gz OCHAYHNNHFWRKU-QWFXQQHISA-N 0 0 523.600 3.466 40 10 KGCBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)C2=N)S1 ZINC000097964724 553900114 /nfs/dbraw/zinc/90/01/14/553900114.db2.gz QDGGXBDOKVBIEJ-CGQRCSLRSA-N 0 0 521.580 3.430 40 10 KGCBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OC(=O)c1cccs1 ZINC000097964735 553900335 /nfs/dbraw/zinc/90/03/35/553900335.db2.gz ZGKMLHXLNKUPEL-DJCMSSBQSA-N 0 0 518.598 3.377 40 10 KGCBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OC(=O)c1ccccc1F ZINC000097964739 553900277 /nfs/dbraw/zinc/90/02/77/553900277.db2.gz DICBQQSSYGBKKB-NJEQYTMISA-N 0 0 530.559 3.455 40 10 KGCBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000097964740 553900309 /nfs/dbraw/zinc/90/03/09/553900309.db2.gz KIHMWFYPDDTQQI-HFUGBDTNSA-N 0 0 530.559 3.455 40 10 KGCBRN CCOc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OC(=O)c1cccc(OC)c1 ZINC000097964741 553900298 /nfs/dbraw/zinc/90/02/98/553900298.db2.gz GVOSALWPVGIFEP-MPZQNCSBSA-N 0 0 542.595 3.324 40 10 KGCBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OC(=O)c4ccco4)c(OC)c3)C2=N)S1 ZINC000097964751 553900353 /nfs/dbraw/zinc/90/03/53/553900353.db2.gz GXRLZDZNIRUHRF-STFAQDPBSA-N 0 0 522.948 3.172 40 10 KGCBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)C2=N)S1 ZINC000097964755 553900312 /nfs/dbraw/zinc/90/03/12/553900312.db2.gz YIMFXRNTMTUSAZ-QWFXQQHISA-N 0 0 528.568 3.014 40 10 KGCBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(OC)cc4)c(OC)c3)C2=N)S1 ZINC000097964760 553900359 /nfs/dbraw/zinc/90/03/59/553900359.db2.gz JVVPDHWEMPBGSL-LCQIMXFNSA-N 0 0 544.611 3.173 40 10 KGCBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4cccc(OC)c4)c(OC)c3)C2=N)S1 ZINC000097964761 553900741 /nfs/dbraw/zinc/90/07/41/553900741.db2.gz SABLVGCJQFCQSE-JLFKZYKSSA-N 0 0 544.611 3.173 40 10 KGCBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)cc4)c(OC)c3)C2=N)S1 ZINC000097964763 553900745 /nfs/dbraw/zinc/90/07/45/553900745.db2.gz YYTNLLXHYVAWAZ-LCQIMXFNSA-N 0 0 528.612 3.473 40 10 KGCBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4cccc(C)c4)c(OC)c3)C2=N)S1 ZINC000097964768 553900710 /nfs/dbraw/zinc/90/07/10/553900710.db2.gz MQNDOKMDJZGANU-LCQIMXFNSA-N 0 0 528.612 3.473 40 10 KGCBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4C)c(OC)c3)C2=N)S1 ZINC000097964769 553900726 /nfs/dbraw/zinc/90/07/26/553900726.db2.gz DKITUMVECNYRMA-IHVOSJJMSA-N 0 0 528.612 3.473 40 10 KGCBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OC(=O)c4ccco4)c(Br)c3)C2=N)S1 ZINC000097964782 553900728 /nfs/dbraw/zinc/90/07/28/553900728.db2.gz URVOMQSDEUEVQI-MKBIQDCJSA-N 0 0 537.373 3.273 40 10 KGCBRN CCc1nn2c(nc(COc3ccc(/C=C4/C(=N)N5N=C(c6cccnc6)SC5=NC4=O)cc3)cc2=O)s1 ZINC000097964817 553900924 /nfs/dbraw/zinc/90/09/24/553900924.db2.gz DIPCAEDSHCRYST-MASFNPCMSA-N 0 0 542.606 3.355 40 10 KGCBRN Cc1nn2c(nc(COc3ccc(/C=C4/C(=N)N5N=C(c6cccnc6)SC5=NC4=O)cc3)cc2=O)s1 ZINC000097964818 553900887 /nfs/dbraw/zinc/90/08/87/553900887.db2.gz LHHJBMIFRJQCQL-VDCQQBIESA-N 0 0 528.579 3.101 40 10 KGCBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)cc2)cc1 ZINC000097964836 553901267 /nfs/dbraw/zinc/90/12/67/553901267.db2.gz MYLBHCYBRFPHLA-PLLOTBJKSA-N 0 0 546.652 3.410 40 10 KGCBRN CC(C)CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)cc3)C2=N)S1 ZINC000097964837 553901254 /nfs/dbraw/zinc/90/12/54/553901254.db2.gz VEQVFPGRJLUUBC-BIWIXZEJSA-N 0 0 532.625 3.102 40 10 KGCBRN CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCc1cc(=O)n2nc(CC)sc2n1 ZINC000097964885 553901279 /nfs/dbraw/zinc/90/12/79/553901279.db2.gz KPCGMDNPKPBOOP-QWFXQQHISA-N 0 0 523.600 3.330 40 10 KGCBRN COc1cc(NN=CC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)ccc1O ZINC000097981251 553992272 /nfs/dbraw/zinc/99/22/72/553992272.db2.gz ZTJRILHHSFCEMH-ORIPQNMZSA-N 0 0 536.614 3.226 40 10 KGCBRN COc1ccc(N2CCN(CCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4CCc3ccccc3)CC2)cc1 ZINC000097986810 554025735 /nfs/dbraw/zinc/02/57/35/554025735.db2.gz KCIXWXBLDSYXSQ-UHFFFAOYSA-N 0 0 579.705 3.167 40 10 KGCBRN COc1ccc(N2CCN(CCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4Cc3ccc(F)cc3)CC2)cc1 ZINC000097986902 554026242 /nfs/dbraw/zinc/02/62/42/554026242.db2.gz AUFAOBWSRFCWGD-UHFFFAOYSA-N 0 0 583.668 3.111 40 10 KGCBRN CSCC[C@@]1(C(=O)[O-])[NH2+][C@@H](c2cc(I)ccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000098003744 554056580 /nfs/dbraw/zinc/05/65/80/554056580.db2.gz KRDVQZUTUDAXMY-KEXUJGGDSA-N 0 0 566.417 3.019 40 10 KGCBRN CSCC[C@]1(C(=O)[O-])[NH2+][C@@H](c2cc(I)ccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000098003745 554056569 /nfs/dbraw/zinc/05/65/69/554056569.db2.gz KRDVQZUTUDAXMY-KGYLXKDPSA-N 0 0 566.417 3.019 40 10 KGCBRN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(F)F)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000098046222 554137047 /nfs/dbraw/zinc/13/70/47/554137047.db2.gz GTGOKPVNGQDKDB-IMEWXKHHSA-N 0 0 529.565 3.084 40 10 KGCBRN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(F)F)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000098046223 554137045 /nfs/dbraw/zinc/13/70/45/554137045.db2.gz GTGOKPVNGQDKDB-WVWKGNOCSA-N 0 0 529.565 3.084 40 10 KGCBRN CN(Cc1ccccc1)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CCOCC3)cc1CNCC2=O ZINC000100034959 554187987 /nfs/dbraw/zinc/18/79/87/554187987.db2.gz BEHFLLKOIBHZBB-VTKOISHASA-N 0 0 532.685 3.075 40 10 KGCBRN COC[C@H]1CCCN1C(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N(C)CCc3ccccn3)cc1CNCC2=O ZINC000100035310 554188217 /nfs/dbraw/zinc/18/82/17/554188217.db2.gz ADQVBTIBRBZAIC-DYIFAXHMSA-N 0 0 575.754 3.291 40 10 KGCBRN CCOc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000100077050 554204780 /nfs/dbraw/zinc/20/47/80/554204780.db2.gz XRGSIVRKBSUKMK-UHFFFAOYSA-N 0 0 569.680 3.451 40 10 KGCBRN COc1ccc(OC)c(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000100080708 554206682 /nfs/dbraw/zinc/20/66/82/554206682.db2.gz WPTSHIJTMDNUFU-UHFFFAOYSA-N 0 0 539.654 3.361 40 10 KGCBRN COc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000100083028 554207584 /nfs/dbraw/zinc/20/75/84/554207584.db2.gz ZLYADAJVXUAISU-UHFFFAOYSA-N 0 0 554.625 3.260 40 10 KGCBRN COc1ccc(OC)c(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000100085389 554208732 /nfs/dbraw/zinc/20/87/32/554208732.db2.gz IOBGHSVOXLHHHW-UHFFFAOYSA-N 0 0 585.679 3.069 40 10 KGCBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(F)cc2)cc1OC ZINC000100085492 554208716 /nfs/dbraw/zinc/20/87/16/554208716.db2.gz KVSUOGRQPJHCIT-UHFFFAOYSA-N 0 0 543.617 3.191 40 10 KGCBRN CN(C)c1ccc(/C=C2/N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N(c3ccccc3)C2=O)cc1 ZINC000100140820 554227878 /nfs/dbraw/zinc/22/78/78/554227878.db2.gz BBFWZGNYVPMUPU-XIEYBQDHSA-N 0 0 563.705 3.236 40 10 KGCBRN COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC ZINC000100305681 1060057770 /nfs/dbraw/zinc/05/77/70/1060057770.db2.gz YHHYYQRJDIVHQQ-DEDYPNTBSA-N 0 0 524.624 3.342 40 10 KGCBRN COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC ZINC000100305685 554293909 /nfs/dbraw/zinc/29/39/09/554293909.db2.gz YHHYYQRJDIVHQQ-MOSHPQCFSA-N 0 0 524.624 3.342 40 10 KGCBRN CN(C)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCCO3)cc1 ZINC000100336404 554319704 /nfs/dbraw/zinc/31/97/04/554319704.db2.gz YAXNYXZVJDILGI-NGQVCNFZSA-N 0 0 570.650 3.338 40 10 KGCBRN CN(C)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCCO3)cc1 ZINC000100336408 554319717 /nfs/dbraw/zinc/31/97/17/554319717.db2.gz YAXNYXZVJDILGI-QABMSTFYSA-N 0 0 570.650 3.338 40 10 KGCBRN CN(C)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCCO3)cc1 ZINC000100336412 554319682 /nfs/dbraw/zinc/31/96/82/554319682.db2.gz YAXNYXZVJDILGI-HLADLETHSA-N 0 0 570.650 3.338 40 10 KGCBRN CN(C)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCCO3)cc1 ZINC000100336415 554319724 /nfs/dbraw/zinc/31/97/24/554319724.db2.gz YAXNYXZVJDILGI-AYWVHJORSA-N 0 0 570.650 3.338 40 10 KGCBRN CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(N(C)C)cc1)OCO2 ZINC000100336422 554319641 /nfs/dbraw/zinc/31/96/41/554319641.db2.gz GMYQLFFMMGLANR-FWUCURJTSA-N 0 0 598.660 3.498 40 10 KGCBRN CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(N(C)C)cc1)OCO2 ZINC000100336426 554319596 /nfs/dbraw/zinc/31/95/96/554319596.db2.gz GMYQLFFMMGLANR-GTYOFVGBSA-N 0 0 598.660 3.498 40 10 KGCBRN CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(N(C)C)cc1)OCO2 ZINC000100336430 554319715 /nfs/dbraw/zinc/31/97/15/554319715.db2.gz GMYQLFFMMGLANR-IPBJYNAHSA-N 0 0 598.660 3.498 40 10 KGCBRN CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(N(C)C)cc1)OCO2 ZINC000100336434 554319728 /nfs/dbraw/zinc/31/97/28/554319728.db2.gz GMYQLFFMMGLANR-SLGOVJDISA-N 0 0 598.660 3.498 40 10 KGCBRN CN(C)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100336494 554319648 /nfs/dbraw/zinc/31/96/48/554319648.db2.gz XXYBJVCYQNURQG-NGQVCNFZSA-N 0 0 570.650 3.291 40 10 KGCBRN CN(C)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100336497 554319575 /nfs/dbraw/zinc/31/95/75/554319575.db2.gz XXYBJVCYQNURQG-QABMSTFYSA-N 0 0 570.650 3.291 40 10 KGCBRN CN(C)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100336500 554319721 /nfs/dbraw/zinc/31/97/21/554319721.db2.gz XXYBJVCYQNURQG-HLADLETHSA-N 0 0 570.650 3.291 40 10 KGCBRN CN(C)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100336504 554319709 /nfs/dbraw/zinc/31/97/09/554319709.db2.gz XXYBJVCYQNURQG-AYWVHJORSA-N 0 0 570.650 3.291 40 10 KGCBRN CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000100336624 554319901 /nfs/dbraw/zinc/31/99/01/554319901.db2.gz SJFBXCSIQNKDBS-IUDBTDONSA-N 0 0 611.703 3.296 40 10 KGCBRN CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000100336627 554319854 /nfs/dbraw/zinc/31/98/54/554319854.db2.gz SJFBXCSIQNKDBS-GMCHKSTQSA-N 0 0 611.703 3.296 40 10 KGCBRN CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000100336633 554319893 /nfs/dbraw/zinc/31/98/93/554319893.db2.gz SJFBXCSIQNKDBS-NSJVFKKDSA-N 0 0 611.703 3.296 40 10 KGCBRN CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000100336639 554319921 /nfs/dbraw/zinc/31/99/21/554319921.db2.gz SJFBXCSIQNKDBS-AKGWNBJDSA-N 0 0 611.703 3.296 40 10 KGCBRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000100336644 554319936 /nfs/dbraw/zinc/31/99/36/554319936.db2.gz ZJMVLRVUECZNEG-IUDBTDONSA-N 0 0 598.704 3.342 40 10 KGCBRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000100336648 554319858 /nfs/dbraw/zinc/31/98/58/554319858.db2.gz ZJMVLRVUECZNEG-GMCHKSTQSA-N 0 0 598.704 3.342 40 10 KGCBRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000100336652 554319931 /nfs/dbraw/zinc/31/99/31/554319931.db2.gz ZJMVLRVUECZNEG-NSJVFKKDSA-N 0 0 598.704 3.342 40 10 KGCBRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000100336656 554319849 /nfs/dbraw/zinc/31/98/49/554319849.db2.gz ZJMVLRVUECZNEG-AKGWNBJDSA-N 0 0 598.704 3.342 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(Cc1cccs1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000100336678 554320183 /nfs/dbraw/zinc/32/01/83/554320183.db2.gz SDERJTCPKZJGMB-OUTSHDOLSA-N 0 0 574.707 3.395 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(Cc1cccs1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000100336687 554320169 /nfs/dbraw/zinc/32/01/69/554320169.db2.gz SDERJTCPKZJGMB-PWUYWRBVSA-N 0 0 574.707 3.395 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(Cc1cccs1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000100336689 554320194 /nfs/dbraw/zinc/32/01/94/554320194.db2.gz SDERJTCPKZJGMB-GIGWZHCTSA-N 0 0 574.707 3.395 40 10 KGCBRN O=C(Cn1nnc2ccccc21)N(Cc1cccs1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000100336694 554320125 /nfs/dbraw/zinc/32/01/25/554320125.db2.gz SDERJTCPKZJGMB-FUFSCUOVSA-N 0 0 574.707 3.395 40 10 KGCBRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000100354164 554333335 /nfs/dbraw/zinc/33/33/35/554333335.db2.gz SQICXDJWXFFQFP-MHZLTWQESA-N 0 0 541.612 3.475 40 10 KGCBRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 ZINC000100354167 554333368 /nfs/dbraw/zinc/33/33/68/554333368.db2.gz SQICXDJWXFFQFP-HHHXNRCGSA-N 0 0 541.612 3.475 40 10 KGCBRN COC(=O)[C@@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000100422173 554386019 /nfs/dbraw/zinc/38/60/19/554386019.db2.gz KLYGRUJBBGOLEV-MMGVRFDJSA-N 0 0 527.577 3.042 40 10 KGCBRN COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000100422178 554386017 /nfs/dbraw/zinc/38/60/17/554386017.db2.gz KLYGRUJBBGOLEV-OKUYAMHMSA-N 0 0 527.577 3.042 40 10 KGCBRN COC(=O)[C@]1(c2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000100422469 554386020 /nfs/dbraw/zinc/38/60/20/554386020.db2.gz ZMIQDYSWTVFGFZ-VWDBNSKXSA-N 0 0 511.578 3.474 40 10 KGCBRN COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000100422477 554386025 /nfs/dbraw/zinc/38/60/25/554386025.db2.gz ZMIQDYSWTVFGFZ-DZNDNOMISA-N 0 0 511.578 3.474 40 10 KGCBRN COC(=O)[C@]1(CCSC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000100422525 554386013 /nfs/dbraw/zinc/38/60/13/554386013.db2.gz KEARZKQZRIIMQC-RNLGNXJRSA-N 0 0 509.628 3.070 40 10 KGCBRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000100422531 554386030 /nfs/dbraw/zinc/38/60/30/554386030.db2.gz KEARZKQZRIIMQC-OJXRJRMYSA-N 0 0 509.628 3.070 40 10 KGCBRN COc1ccc2c(c1)N(C)C(=c1sc(=C3C(=O)N(c4ccccc4)N=C3Nc3ccccc3)n(C)c1=O)S2 ZINC000100500417 554405488 /nfs/dbraw/zinc/40/54/88/554405488.db2.gz DOXGKCHPQSVIJS-YNQDYZLWSA-N 0 0 541.658 3.386 40 10 KGCBRN COc1ccc(N2C(=O)C[C@H](C3([C@@H]4CC(=O)N(c5ccc(OC)cc5)C4=O)C(=O)c4ccccc4C3=O)C2=O)cc1 ZINC000100839856 554488031 /nfs/dbraw/zinc/48/80/31/554488031.db2.gz CQTSXFABBMXVLY-PSWAGMNNSA-N 0 0 552.539 3.229 40 10 KGCBRN COc1ccc(N2C(=O)C[C@@H](C3([C@@H]4CC(=O)N(c5ccc(OC)cc5)C4=O)C(=O)c4ccccc4C3=O)C2=O)cc1 ZINC000100839857 554487946 /nfs/dbraw/zinc/48/79/46/554487946.db2.gz CQTSXFABBMXVLY-DNQXCXABSA-N 0 0 552.539 3.229 40 10 KGCBRN COc1ccc(N2C(=O)C[C@H](C3([C@H]4CC(=O)N(c5ccc(OC)cc5)C4=O)C(=O)c4ccccc4C3=O)C2=O)cc1 ZINC000100839859 554487951 /nfs/dbraw/zinc/48/79/51/554487951.db2.gz CQTSXFABBMXVLY-ZEQRLZLVSA-N 0 0 552.539 3.229 40 10 KGCBRN CC[C@@H]1CCCCN1c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O ZINC000100850846 1060058111 /nfs/dbraw/zinc/05/81/11/1060058111.db2.gz RVOHPGJKAIYRBA-FUEBIDMXSA-N 0 0 532.713 3.160 40 10 KGCBRN CC[C@H]1CCCCN1c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O ZINC000100850847 1060058130 /nfs/dbraw/zinc/05/81/30/1060058130.db2.gz RVOHPGJKAIYRBA-IQXDWNFHSA-N 0 0 532.713 3.160 40 10 KGCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000100955991 554539228 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/nfs/dbraw/zinc/56/05/91/554560591.db2.gz WLHNHGLDOIZQTA-FOCLMDBBSA-N 0 0 528.662 3.225 40 10 KGCBRN Cc1cccc(C(=O)NN2C(=O)/C(=C3\SC(=S)N(NC(=O)c4cccc(C)c4)C3=O)SC2=S)c1 ZINC000101016944 554560665 /nfs/dbraw/zinc/56/06/65/554560665.db2.gz BKLFKACCVHODLL-FOCLMDBBSA-N 0 0 528.662 3.225 40 10 KGCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C3\SC(=S)N(NC(=O)c4ccc(C)cc4)C3=O)SC2=S)cc1 ZINC000101016946 554560614 /nfs/dbraw/zinc/56/06/14/554560614.db2.gz UNFRDGRPJIWNCF-FOCLMDBBSA-N 0 0 528.662 3.225 40 10 KGCBRN CNC(=O)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)NC)cc4)C3=O)SC2=S)cc1 ZINC000101016988 554560683 /nfs/dbraw/zinc/56/06/83/554560683.db2.gz FLONNASOAFHRHG-FOCLMDBBSA-N 0 0 528.662 3.047 40 10 KGCBRN CNC(=O)c1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C(=O)NC)c4)C3=O)SC2=S)c1 ZINC000101017019 554560792 /nfs/dbraw/zinc/56/07/92/554560792.db2.gz BASXGICIOINRIP-FOCLMDBBSA-N 0 0 528.662 3.047 40 10 KGCBRN O=C(CCN1C(=O)C[C@@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O)Nc1ccc(O)cc1 ZINC000101174790 554662677 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508.604 3.053 40 10 KGCBRN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(N3CCC4(CC3)OCCO4)nc12 ZINC000104128611 1060059616 /nfs/dbraw/zinc/05/96/16/1060059616.db2.gz NKFJCHGWRAXDGR-RGEXLXHISA-N 0 0 524.624 3.341 40 10 KGCBRN CCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)SC1=S ZINC000104195022 571376551 /nfs/dbraw/zinc/37/65/51/571376551.db2.gz XXMSTCXSGMDFFA-XKZIYDEJSA-N 0 0 549.678 3.275 40 10 KGCBRN CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000104196446 571376690 /nfs/dbraw/zinc/37/66/90/571376690.db2.gz NCNFIPGSFSXSRE-YUAATKDJSA-N 0 0 620.485 3.278 40 10 KGCBRN CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000104196449 571376681 /nfs/dbraw/zinc/37/66/81/571376681.db2.gz NCNFIPGSFSXSRE-WOIKYBQMSA-N 0 0 620.485 3.278 40 10 KGCBRN CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C\c3ccc4ccccc4c3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000104196542 571376691 /nfs/dbraw/zinc/37/66/91/571376691.db2.gz HOPIENTYEUZPIV-KALGJBORSA-N 0 0 601.655 3.124 40 10 KGCBRN CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C\c3ccc4ccccc4c3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000104196547 571376650 /nfs/dbraw/zinc/37/66/50/571376650.db2.gz HOPIENTYEUZPIV-GWTMIPROSA-N 0 0 601.655 3.124 40 10 KGCBRN CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\N1C(=O)/C(=C\c2cccc(OC)c2O)SC1=S ZINC000104303731 571378847 /nfs/dbraw/zinc/37/88/47/571378847.db2.gz RBTNBMJAJATCHK-LVQLHOOYSA-N 0 0 509.565 3.452 40 10 KGCBRN CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/N1C(=O)/C(=C/c2cccc(OC)c2O)SC1=S ZINC000104303737 571378842 /nfs/dbraw/zinc/37/88/42/571378842.db2.gz RBTNBMJAJATCHK-UJZUQUBNSA-N 0 0 509.565 3.452 40 10 KGCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(I)cc(I)c1O ZINC000104660567 571384999 /nfs/dbraw/zinc/38/49/99/571384999.db2.gz ITSXHCPNRIHYHV-UHFFFAOYSA-N 0 0 526.064 3.355 40 10 KGCBRN COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(I)cc3)CC2)c([N+](=O)[O-])c1 ZINC000105303572 571392806 /nfs/dbraw/zinc/39/28/06/571392806.db2.gz BZMVLZZDBLOKLS-UHFFFAOYSA-N 0 0 526.356 3.045 40 10 KGCBRN COc1ccc(N2CCN(C(=S)NC(=O)c3cccc(I)c3)CC2)c([N+](=O)[O-])c1 ZINC000105303576 571392796 /nfs/dbraw/zinc/39/27/96/571392796.db2.gz SUEAWAYZOQYXTE-UHFFFAOYSA-N 0 0 526.356 3.045 40 10 KGCBRN COc1ccc(N2CCN(C(=S)NC(=O)c3ccccc3I)CC2)c([N+](=O)[O-])c1 ZINC000105303579 571392754 /nfs/dbraw/zinc/39/27/54/571392754.db2.gz KVBAOXXXMYXWCV-UHFFFAOYSA-N 0 0 526.356 3.045 40 10 KGCBRN COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 ZINC000105303607 571392777 /nfs/dbraw/zinc/39/27/77/571392777.db2.gz RXSFSLRRVHSVLE-UHFFFAOYSA-N 0 0 528.591 3.339 40 10 KGCBRN O=C(/C=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 ZINC000105394246 571404595 /nfs/dbraw/zinc/40/45/95/571404595.db2.gz XVEOGSHTHBWJCU-KRXBUXKQSA-N 0 0 533.507 3.294 40 10 KGCBRN COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 ZINC000105479948 571405090 /nfs/dbraw/zinc/40/50/90/571405090.db2.gz PFUUGGTUIMJUAH-UHFFFAOYSA-N 0 0 539.654 3.252 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000105496882 571405233 /nfs/dbraw/zinc/40/52/33/571405233.db2.gz AULNSKZBACADGN-QARYAGPDSA-N 0 0 551.665 3.367 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000105496885 571405241 /nfs/dbraw/zinc/40/52/41/571405241.db2.gz AULNSKZBACADGN-ZSJKCPIUSA-N 0 0 551.665 3.367 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000105497423 571405386 /nfs/dbraw/zinc/40/53/86/571405386.db2.gz BIIJYGPQHWRKEO-QARYAGPDSA-N 0 0 551.665 3.367 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000105497426 571405562 /nfs/dbraw/zinc/40/55/62/571405562.db2.gz BIIJYGPQHWRKEO-ZSJKCPIUSA-N 0 0 551.665 3.367 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000105499568 571406203 /nfs/dbraw/zinc/40/62/03/571406203.db2.gz ILOSAIQZBOXJQV-SJJVXOANSA-N 0 0 534.682 3.416 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000105499571 571406178 /nfs/dbraw/zinc/40/61/78/571406178.db2.gz ILOSAIQZBOXJQV-GTWFGUSFSA-N 0 0 534.682 3.416 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000105499792 571406345 /nfs/dbraw/zinc/40/63/45/571406345.db2.gz ISHIRFLFBMQLCR-VLOXRPPESA-N 0 0 619.481 3.183 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000105499796 571406243 /nfs/dbraw/zinc/40/62/43/571406243.db2.gz ISHIRFLFBMQLCR-WLJFKGHSSA-N 0 0 619.481 3.183 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000105499810 571406288 /nfs/dbraw/zinc/40/62/88/571406288.db2.gz DCEMFPKKWFRFMD-VLOXRPPESA-N 0 0 542.455 3.332 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000105499812 571406318 /nfs/dbraw/zinc/40/63/18/571406318.db2.gz DCEMFPKKWFRFMD-WLJFKGHSSA-N 0 0 542.455 3.332 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000105500995 571406630 /nfs/dbraw/zinc/40/66/30/571406630.db2.gz JDSYMBFOOBNANN-PLQXQRLBSA-N 0 0 535.622 3.079 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000105500997 571406644 /nfs/dbraw/zinc/40/66/44/571406644.db2.gz JDSYMBFOOBNANN-VVNKCDPRSA-N 0 0 535.622 3.079 40 10 KGCBRN O=C1NC(=S)NC(=O)C1=Cc1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000105670785 571408251 /nfs/dbraw/zinc/40/82/51/571408251.db2.gz ZVSJENUOPITLDP-UHFFFAOYSA-N 0 0 590.180 3.389 40 10 KGCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000106709052 571415071 /nfs/dbraw/zinc/41/50/71/571415071.db2.gz YAPKXUFHXXVSAX-UCQKPKSFSA-N 0 0 539.614 3.498 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000107429048 571420173 /nfs/dbraw/zinc/42/01/73/571420173.db2.gz VDSVRZAHYCCOIG-PZDOZLBDSA-N 0 0 572.481 3.341 40 10 KGCBRN CCOc1cc(/C=C2/C(C)=NN(c3ccc(S(N)(=O)=O)cc3)C2=O)cc(Br)c1OC(C)=O ZINC000108422932 1060060615 /nfs/dbraw/zinc/06/06/15/1060060615.db2.gz PLGPBMBEPPGQCN-MFOYZWKCSA-N 0 0 522.377 3.227 40 10 KGCBRN CC(C)Oc1c(I)cc(I)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000108423776 1060060693 /nfs/dbraw/zinc/06/06/93/1060060693.db2.gz LXUSONQZYVGTGB-UHFFFAOYSA-N 0 0 554.122 3.117 40 10 KGCBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000112230090 571434045 /nfs/dbraw/zinc/43/40/45/571434045.db2.gz RRNFNEWSRNYNPO-KQWNVCNZSA-N 0 0 521.555 3.066 40 10 KGCBRN CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(I)cc1 ZINC000113625039 571441413 /nfs/dbraw/zinc/44/14/13/571441413.db2.gz MVWLXKMMFLMEQG-UHFFFAOYSA-N 0 0 527.428 3.364 40 10 KGCBRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccc(C)cc2)cc1OC ZINC000113625199 571441375 /nfs/dbraw/zinc/44/13/75/571441375.db2.gz JMXSDSOMYDSJHN-UHFFFAOYSA-N 0 0 539.654 3.361 40 10 KGCBRN COc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000113625491 571441406 /nfs/dbraw/zinc/44/14/06/571441406.db2.gz MXVVVISFZCCQFQ-UHFFFAOYSA-N 0 0 539.654 3.361 40 10 KGCBRN COc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000113625641 571441367 /nfs/dbraw/zinc/44/13/67/571441367.db2.gz PNEODHCGEDWYDM-UHFFFAOYSA-N 0 0 539.654 3.361 40 10 KGCBRN COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(I)c1OCc1ccccc1F ZINC000113832799 571442469 /nfs/dbraw/zinc/44/24/69/571442469.db2.gz XZYNBKXHGXRICO-UHFFFAOYSA-N 0 0 524.286 3.452 40 10 KGCBRN CCN(CC)S(=O)(=O)c1ccc(N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC2CCCC2)c2ccc(O)c(O)c2)cc1 ZINC000150387007 571469690 /nfs/dbraw/zinc/46/96/90/571469690.db2.gz LQJCGJMKJFTENT-PMERELPUSA-N 0 0 684.793 3.106 40 10 KGCBRN CCN(CC)S(=O)(=O)c1ccc(N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC2CCCC2)c2ccc(O)c(O)c2)cc1 ZINC000150387009 571469657 /nfs/dbraw/zinc/46/96/57/571469657.db2.gz LQJCGJMKJFTENT-SSEXGKCCSA-N 0 0 684.793 3.106 40 10 KGCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)N3CCN(c4ccccc4)CC3)C2=O)SC1=S)N1CCN(c2ccccc2)CC1 ZINC000150420638 571487273 /nfs/dbraw/zinc/48/72/73/571487273.db2.gz JASMLVXGINKKDW-BYYHNAKLSA-N 0 0 694.930 3.396 40 10 KGCBRN COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCN3CCN(C(=O)CN4C(=O)/C(=C/c5ccc(OC)c(OC)c5)SC4=S)CC3)C2=O)cc1OC ZINC000150443648 571499461 /nfs/dbraw/zinc/49/94/61/571499461.db2.gz UHHLOBOLHMIRKI-MQYBUBRJSA-N 0 0 785.992 3.474 40 10 KGCBRN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ccc4c(c3)OCO4)C2=O)SC1=S)Nc1ccc2c(c1)OCO2 ZINC000150444926 571499853 /nfs/dbraw/zinc/49/98/53/571499853.db2.gz JBAFWUMINRBNPL-QURGRASLSA-N 0 0 644.734 3.434 40 10 KGCBRN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NCCN1CCN(C(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)CC1 ZINC000150447713 571501481 /nfs/dbraw/zinc/50/14/81/571501481.db2.gz MSJNTDAUTAJGLM-DPIBHUQISA-N 0 0 673.864 3.406 40 10 KGCBRN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NCCN1CCN(C(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)CC1 ZINC000150447720 571501501 /nfs/dbraw/zinc/50/15/01/571501501.db2.gz OTIQDLUIDMIVDS-KSTNYAOJSA-N 0 0 659.837 3.016 40 10 KGCBRN O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NC3=NCCS3)C2=O)SC1=S)NC1=NCCS1 ZINC000150470984 571509281 /nfs/dbraw/zinc/50/92/81/571509281.db2.gz PZOVIRJGMXZBAQ-ISLYRVAYSA-N 0 0 658.944 3.477 40 10 KGCBRN CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000169293780 562852145 /nfs/dbraw/zinc/85/21/45/562852145.db2.gz SIDNEXDYTQIFQG-MUCKBHKGSA-N 0 0 507.587 3.076 40 10 KGCBRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000206907439 571573029 /nfs/dbraw/zinc/57/30/29/571573029.db2.gz ZTUSLGQIIJYCAU-MOSHPQCFSA-N 0 0 548.042 3.132 40 10 KGCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000214640664 571579893 /nfs/dbraw/zinc/57/98/93/571579893.db2.gz UQTRHTISHKQHDH-ZVHZXABRSA-N 0 0 597.650 3.354 40 10 KGCBRN COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccc(Br)cc4)CC3)CC2)cc1 ZINC000215934970 571588360 /nfs/dbraw/zinc/58/83/60/571588360.db2.gz LIPKOHVFXACDCH-UHFFFAOYSA-N 0 0 536.492 3.348 40 10 KGCBRN COc1cc(/C=C2\SC(=S)N(CCC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)C2=O)cc(OC)c1OC ZINC000217391344 1059578846 /nfs/dbraw/zinc/57/88/46/1059578846.db2.gz OPISQFOTHQBVRZ-MAHLYRAPSA-N 0 0 555.678 3.111 40 10 KGCBRN COc1ccc(N2CCN(C(=O)CCc3cc(S(=O)(=O)N4CCCCC4)ccc3OC)CC2)cc1 ZINC000223346083 571463668 /nfs/dbraw/zinc/46/36/68/571463668.db2.gz SJMWGIZDVWGJGT-UHFFFAOYSA-N 0 0 501.649 3.160 40 10 KGCBRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000223772204 571541550 /nfs/dbraw/zinc/54/15/50/571541550.db2.gz LJRRELSOOXCRRA-OAQYLSRUSA-N 0 0 515.676 3.201 40 10 KGCBRN COc1ccc(N2CCN(C(=O)c3ccc(OC)c(CN(C)S(=O)(=O)c4ccccc4)c3)CC2)cc1 ZINC000224773128 571615772 /nfs/dbraw/zinc/61/57/72/571615772.db2.gz NDLPSRHSYCCZNZ-UHFFFAOYSA-N 0 0 509.628 3.487 40 10 KGCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 ZINC000225862680 572078639 /nfs/dbraw/zinc/07/86/39/572078639.db2.gz WUTYRANARARQBP-UHFFFAOYSA-N 0 0 515.417 3.220 40 10 KGCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Sc2ncccn2)cc(N2CCOCC2)n1 ZINC000225952375 572086434 /nfs/dbraw/zinc/08/64/34/572086434.db2.gz ZFRFQUMTUQWKRK-UHFFFAOYSA-N 0 0 508.677 3.341 40 10 KGCBRN COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000229915497 572168954 /nfs/dbraw/zinc/16/89/54/572168954.db2.gz KLYGRUJBBGOLEV-VIDGLSEISA-N 0 0 527.577 3.042 40 10 KGCBRN COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000229926128 572170185 /nfs/dbraw/zinc/17/01/85/572170185.db2.gz ZMIQDYSWTVFGFZ-VIDGLSEISA-N 0 0 511.578 3.474 40 10 KGCBRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000231644870 572187505 /nfs/dbraw/zinc/18/75/05/572187505.db2.gz KEARZKQZRIIMQC-DVAKJLRASA-N 0 0 509.628 3.070 40 10 KGCBRN COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000245230032 572208088 /nfs/dbraw/zinc/20/80/88/572208088.db2.gz KLYGRUJBBGOLEV-DZNDNOMISA-N 0 0 527.577 3.042 40 10 KGCBRN COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000245230033 572207959 /nfs/dbraw/zinc/20/79/59/572207959.db2.gz KLYGRUJBBGOLEV-YYZJCXNBSA-N 0 0 527.577 3.042 40 10 KGCBRN CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000245230468 562881334 /nfs/dbraw/zinc/88/13/34/562881334.db2.gz SIDNEXDYTQIFQG-PVIBPIFHSA-N 0 0 507.587 3.076 40 10 KGCBRN CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000245230469 562881338 /nfs/dbraw/zinc/88/13/38/562881338.db2.gz SIDNEXDYTQIFQG-UKWMHNODSA-N 0 0 507.587 3.076 40 10 KGCBRN COC(=O)c1cc(C(=O)OC)cc(N2C(=O)[C@@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1 ZINC000251459423 572259452 /nfs/dbraw/zinc/25/94/52/572259452.db2.gz GRDOJTQCEDLFBR-RBZQAINGSA-N 0 0 553.523 3.263 40 10 KGCBRN COC(=O)c1cc(C(=O)OC)cc(N2C(=O)[C@@H]3[C@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1 ZINC000251459438 572259460 /nfs/dbraw/zinc/25/94/60/572259460.db2.gz GRDOJTQCEDLFBR-VXNXHJTFSA-N 0 0 553.523 3.263 40 10 KGCBRN CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccccc4O)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253397629 572284235 /nfs/dbraw/zinc/28/42/35/572284235.db2.gz FVKDXOWFSLCDMK-PTSPBZQHSA-N 0 0 592.737 3.086 40 10 KGCBRN O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2cc(-c3ccccc3)ccc2C(=O)N2CCN(Cc3ccccc3O)C[C@@H]12 ZINC000253398007 572284430 /nfs/dbraw/zinc/28/44/30/572284430.db2.gz GJWCTFZAYMRNNQ-CJAQZQCDSA-N 0 0 571.674 3.193 40 10 KGCBRN O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(Cc1ccccc1O)CC2=O)N1CCOCC1 ZINC000253398842 572284448 /nfs/dbraw/zinc/28/44/48/572284448.db2.gz HQXHWKZZXKXLML-YENFZODQSA-N 0 0 519.642 3.057 40 10 KGCBRN CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000254483814 572302823 /nfs/dbraw/zinc/30/28/23/572302823.db2.gz ONVSTDZDVBWLFL-KORIFOLJSA-N 0 0 620.485 3.278 40 10 KGCBRN CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254483817 572302828 /nfs/dbraw/zinc/30/28/28/572302828.db2.gz ONVSTDZDVBWLFL-VQPRBWMUSA-N 0 0 620.485 3.278 40 10 KGCBRN CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000257346724 1059556569 /nfs/dbraw/zinc/55/65/69/1059556569.db2.gz ONVSTDZDVBWLFL-LNXWIDNZSA-N 0 0 620.485 3.278 40 10 KGCBRN CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000257346725 1059556656 /nfs/dbraw/zinc/55/66/56/1059556656.db2.gz ONVSTDZDVBWLFL-QUVBIDRQSA-N 0 0 620.485 3.278 40 10 KGCBRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260793574 571701854 /nfs/dbraw/zinc/70/18/54/571701854.db2.gz LJRRELSOOXCRRA-NRFANRHFSA-N 0 0 515.676 3.201 40 10 KGCBRN COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)NCc4ccccc4)cc3C)CC2)cc1 ZINC000408526374 572157938 /nfs/dbraw/zinc/15/79/38/572157938.db2.gz AZUPHXWYIWIBSD-UHFFFAOYSA-N 0 0 509.628 3.210 40 10 KGCBRN COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000408528787 572165397 /nfs/dbraw/zinc/16/53/97/572165397.db2.gz FIVOBSHKPVSGBR-YVLHZVERSA-N 0 0 551.362 3.424 40 10 KGCBRN Cn1c2cc(/C=C3\SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408529651 572169385 /nfs/dbraw/zinc/16/93/85/572169385.db2.gz IXIQAISWVSDAQW-GXHLCREISA-N 0 0 527.628 3.234 40 10 KGCBRN CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C ZINC000408530473 572171704 /nfs/dbraw/zinc/17/17/04/572171704.db2.gz LYEHPOVBQDICIV-JXAWBTAJSA-N 0 0 572.407 3.037 40 10 KGCBRN COc1cc(N2N=C(C)C(=CNc3ccc(S(=O)(=O)N4CCOCC4)cc3C)C2=O)ccc1Cl ZINC000408530752 572172899 /nfs/dbraw/zinc/17/28/99/572172899.db2.gz MPLLMWRHAKLKOX-RGEXLXHISA-N 0 0 504.996 3.396 40 10 KGCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)SC2=S)c(Cl)c1 ZINC000408531173 572175048 /nfs/dbraw/zinc/17/50/48/572175048.db2.gz MKJJTTMCCHRCLP-IUXPMGMMSA-N 0 0 517.976 3.293 40 10 KGCBRN CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1cc2c(cc1N(C)C)n(C)c(=O)n2C ZINC000408532900 572181764 /nfs/dbraw/zinc/18/17/64/572181764.db2.gz MYBGCRNEYLXWGY-VBKFSLOCSA-N 0 0 530.370 3.266 40 10 KGCBRN Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000408535467 572188621 /nfs/dbraw/zinc/18/86/21/572188621.db2.gz SUNSPOXMEWVZEU-UVTDQMKNSA-N 0 0 532.298 3.108 40 10 KGCBRN CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1cc2[nH]c(=O)[nH]c2cc1N1CCOCC1 ZINC000408535899 572189786 /nfs/dbraw/zinc/18/97/86/572189786.db2.gz UNSNTEUYXVEAFI-VBKFSLOCSA-N 0 0 544.353 3.428 40 10 KGCBRN COc1cc(N2N=C(C)C(=CNc3cc4c(cc3N3CCOCC3)n(C)c(=O)n4C)C2=O)ccc1Cl ZINC000408537091 572193428 /nfs/dbraw/zinc/19/34/28/572193428.db2.gz ZCIWMTWOVCWYMX-VKAVYKQESA-N 0 0 510.982 3.094 40 10 KGCBRN COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543227 572212097 /nfs/dbraw/zinc/21/20/97/572212097.db2.gz NVSRMHUKWDACNH-UHFFFAOYSA-N 0 0 507.612 3.499 40 10 KGCBRN COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCCCC4)cc3Cl)CC2)cc1 ZINC000408554405 572241948 /nfs/dbraw/zinc/24/19/48/572241948.db2.gz CPPGLJVXAMXNML-UHFFFAOYSA-N 0 0 508.040 3.251 40 10 KGCBRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)cc1C ZINC000408555607 572243100 /nfs/dbraw/zinc/24/31/00/572243100.db2.gz BEXFXOAQPPHNAZ-NRFANRHFSA-N 0 0 501.649 3.152 40 10 KGCBRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)cc1C ZINC000408555614 572243050 /nfs/dbraw/zinc/24/30/50/572243050.db2.gz BEXFXOAQPPHNAZ-OAQYLSRUSA-N 0 0 501.649 3.152 40 10 KGCBRN COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)CC2)cc1 ZINC000408558952 572246279 /nfs/dbraw/zinc/24/62/79/572246279.db2.gz TXOIUFXTGLLORS-UHFFFAOYSA-N 0 0 507.612 3.174 40 10 KGCBRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000408561804 572248355 /nfs/dbraw/zinc/24/83/55/572248355.db2.gz VJEVZVAEBYFJLW-UHFFFAOYSA-N 0 0 522.067 3.497 40 10 KGCBRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2)cc1C ZINC000408562297 572248711 /nfs/dbraw/zinc/24/87/11/572248711.db2.gz YSUSRQCWOQIEDE-UHFFFAOYSA-N 0 0 501.649 3.152 40 10 KGCBRN COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3C)CC2)cc1 ZINC000408586739 572266326 /nfs/dbraw/zinc/26/63/26/572266326.db2.gz BQMUGARUKCNSRJ-UHFFFAOYSA-N 0 0 521.639 3.483 40 10 KGCBRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2)cc1Cl ZINC000408590403 572267703 /nfs/dbraw/zinc/26/77/03/572267703.db2.gz HBWKZXZHRRPSKC-UHFFFAOYSA-N 0 0 522.067 3.497 40 10 KGCBRN COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cc(Cl)ccc4OC)CC3)CC2)cc1 ZINC000408590723 572267905 /nfs/dbraw/zinc/26/79/05/572267905.db2.gz KQHHCNDXLBAMEB-UHFFFAOYSA-N 0 0 508.040 3.107 40 10 KGCBRN COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)NC4CCCC4)cc3Cl)CC2)cc1 ZINC000408591484 572268226 /nfs/dbraw/zinc/26/82/26/572268226.db2.gz JEIRWQSPTCDWJE-UHFFFAOYSA-N 0 0 508.040 3.297 40 10 KGCBRN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cc(Cl)ccc4OC)C3)CC2)cc1 ZINC000408591969 572268352 /nfs/dbraw/zinc/26/83/52/572268352.db2.gz MSMPXSGQRQHTQV-GOSISDBHSA-N 0 0 508.040 3.107 40 10 KGCBRN COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cc(Cl)ccc4OC)C3)CC2)cc1 ZINC000408591972 572268368 /nfs/dbraw/zinc/26/83/68/572268368.db2.gz MSMPXSGQRQHTQV-SFHVURJKSA-N 0 0 508.040 3.107 40 10 KGCBRN COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4cccc(OC)c4)cc3)CC2)cc1 ZINC000408600310 572272442 /nfs/dbraw/zinc/27/24/42/572272442.db2.gz AAWWYIWLZHPFPC-UHFFFAOYSA-N 0 0 511.600 3.232 40 10 KGCBRN COc1ccc(N2CCN(S(=O)(=O)c3ccc(O[C@@H](C)C(=O)NC4CCCCC4)cc3)CC2)cc1 ZINC000408612096 572276747 /nfs/dbraw/zinc/27/67/47/572276747.db2.gz YIIYQZOKVDZKFU-FQEVSTJZSA-N 0 0 501.649 3.422 40 10 KGCBRN COc1ccc(N2CCN(S(=O)(=O)c3ccc(O[C@H](C)C(=O)NC4CCCCC4)cc3)CC2)cc1 ZINC000408612098 572276834 /nfs/dbraw/zinc/27/68/34/572276834.db2.gz YIIYQZOKVDZKFU-HXUWFJFHSA-N 0 0 501.649 3.422 40 10 KGCBRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)cc1Cl ZINC000408635994 195487468 /nfs/dbraw/zinc/48/74/68/195487468.db2.gz NNYLIKGVIYDHAB-IBGZPJMESA-N 0 0 522.067 3.497 40 10 KGCBRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)cc1Cl ZINC000408635995 195487349 /nfs/dbraw/zinc/48/73/49/195487349.db2.gz NNYLIKGVIYDHAB-LJQANCHMSA-N 0 0 522.067 3.497 40 10 KGCBRN COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4c(F)cccc4Cl)CC3)CC2)cc1 ZINC000408679125 572320248 /nfs/dbraw/zinc/32/02/48/572320248.db2.gz INNYFKUVLHOOQW-UHFFFAOYSA-N 0 0 510.031 3.378 40 10 KGCBRN O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Br)cc1 ZINC000408690759 1059695780 /nfs/dbraw/zinc/69/57/80/1059695780.db2.gz WPNIZYRSAOLWHX-ACRUOGEOSA-N 0 0 511.372 3.493 40 10 KGCBRN O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Br)cc1 ZINC000408690760 1059695762 /nfs/dbraw/zinc/69/57/62/1059695762.db2.gz WPNIZYRSAOLWHX-HBMCJLEFSA-N 0 0 511.372 3.493 40 10 KGCBRN O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(Br)cc1 ZINC000408690761 1059695819 /nfs/dbraw/zinc/69/58/19/1059695819.db2.gz WPNIZYRSAOLWHX-NJYVYQBISA-N 0 0 511.372 3.493 40 10 KGCBRN O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Br)cc1 ZINC000408690762 1059695834 /nfs/dbraw/zinc/69/58/34/1059695834.db2.gz WPNIZYRSAOLWHX-QHAWAJNXSA-N 0 0 511.372 3.493 40 10 KGCBRN CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000408690972 1059694627 /nfs/dbraw/zinc/69/46/27/1059694627.db2.gz XMOTZHTYEXWULU-HJOGWXRNSA-N 0 0 518.566 3.298 40 10 KGCBRN CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000408690973 1059695853 /nfs/dbraw/zinc/69/58/53/1059695853.db2.gz XMOTZHTYEXWULU-SMIHKQSGSA-N 0 0 518.566 3.298 40 10 KGCBRN CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000408690974 1059695802 /nfs/dbraw/zinc/69/58/02/1059695802.db2.gz XMOTZHTYEXWULU-TZRRMPRUSA-N 0 0 518.566 3.298 40 10 KGCBRN CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000408690975 1059695739 /nfs/dbraw/zinc/69/57/39/1059695739.db2.gz XMOTZHTYEXWULU-VXNXHJTFSA-N 0 0 518.566 3.298 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)ccc3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408718783 1059709177 /nfs/dbraw/zinc/70/91/77/1059709177.db2.gz IYIZIZRPMSIBJT-VLOXRPPESA-N 0 0 589.455 3.175 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)ccc3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408718784 1059709118 /nfs/dbraw/zinc/70/91/18/1059709118.db2.gz IYIZIZRPMSIBJT-WLJFKGHSSA-N 0 0 589.455 3.175 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408726208 1059709283 /nfs/dbraw/zinc/70/92/83/1059709283.db2.gz 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1059819228 /nfs/dbraw/zinc/81/92/28/1059819228.db2.gz DGUUCMIOYJNUPO-INZJWMLVSA-N 0 0 565.692 3.288 40 10 KGCBRN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n21 ZINC000409010693 1059819198 /nfs/dbraw/zinc/81/91/98/1059819198.db2.gz DGUUCMIOYJNUPO-NQCZSQBNSA-N 0 0 565.692 3.288 40 10 KGCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 ZINC000409010797 1059819285 /nfs/dbraw/zinc/81/92/85/1059819285.db2.gz LKWCURFRIPOOFE-KOEQRZSOSA-N 0 0 543.576 3.458 40 10 KGCBRN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000409011936 1059818534 /nfs/dbraw/zinc/81/85/34/1059818534.db2.gz GVEYYPJYOXBVAT-ASSGYOTOSA-N 0 0 535.666 3.278 40 10 KGCBRN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000409011939 1059818442 /nfs/dbraw/zinc/81/84/42/1059818442.db2.gz GVEYYPJYOXBVAT-OGRZUZBBSA-N 0 0 535.666 3.278 40 10 KGCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 ZINC000409012772 1059817970 /nfs/dbraw/zinc/81/79/70/1059817970.db2.gz KNJNKLVNUVQEEF-BUVRLJJBSA-N 0 0 529.549 3.416 40 10 KGCBRN CCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n21 ZINC000409012879 1059817919 /nfs/dbraw/zinc/81/79/19/1059817919.db2.gz JCGMXXMJJMUUTI-INZJWMLVSA-N 0 0 535.666 3.280 40 10 KGCBRN CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n21 ZINC000409012881 1059048064 /nfs/dbraw/zinc/04/80/64/1059048064.db2.gz JCGMXXMJJMUUTI-NQCZSQBNSA-N 0 0 535.666 3.280 40 10 KGCBRN COCCN1C(=O)/C(=C/c2cc(I)c(O)c(OC)c2)C(=O)N(c2ccccc2)C1=O ZINC000409013473 1059047569 /nfs/dbraw/zinc/04/75/69/1059047569.db2.gz NKTCVEJGNXDJKH-GDNBJRDFSA-N 0 0 522.295 3.031 40 10 KGCBRN CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3\C(=O)N(Cc4ccco4)C(C)=C3C(=O)OC)o2)cc1 ZINC000409013585 1059817319 /nfs/dbraw/zinc/81/73/19/1059817319.db2.gz MVQORQVROZCIBP-OEAKJJBVSA-N 0 0 561.547 3.177 40 10 KGCBRN CCOc1cc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc(I)c1O ZINC000409014077 1059816633 /nfs/dbraw/zinc/81/66/33/1059816633.db2.gz DWWPOVBQANSJPQ-WJDWOHSUSA-N 0 0 536.322 3.421 40 10 KGCBRN COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000409014469 1059816587 /nfs/dbraw/zinc/81/65/87/1059816587.db2.gz PLUDYIVZKPOAMZ-IGPUNGKJSA-N 0 0 521.570 3.003 40 10 KGCBRN COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 ZINC000409014470 1059816657 /nfs/dbraw/zinc/81/66/57/1059816657.db2.gz PLUDYIVZKPOAMZ-XMHVBLFMSA-N 0 0 521.570 3.003 40 10 KGCBRN COCCCN1C(=O)/C(=C\c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)C(C(=O)OC)=C1C ZINC000409014998 1059048146 /nfs/dbraw/zinc/04/81/46/1059048146.db2.gz REDQXKIRWROFGV-DEDYPNTBSA-N 0 0 553.431 3.230 40 10 KGCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 ZINC000409020727 1059823554 /nfs/dbraw/zinc/82/35/54/1059823554.db2.gz SMTYHAOGVFTHMT-YDZHTSKRSA-N 0 0 514.538 3.111 40 10 KGCBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409037059 1059826851 /nfs/dbraw/zinc/82/68/51/1059826851.db2.gz SGGYJPJLMYTWJE-CMISJSSVSA-N 0 0 592.674 3.330 40 10 KGCBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409037063 1059826737 /nfs/dbraw/zinc/82/67/37/1059826737.db2.gz SGGYJPJLMYTWJE-DBXPASCUSA-N 0 0 592.674 3.330 40 10 KGCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000409039759 1059845442 /nfs/dbraw/zinc/84/54/42/1059845442.db2.gz DIGNREQNLXAQHG-UHFFFAOYSA-N 0 0 518.389 3.088 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409043554 1059841800 /nfs/dbraw/zinc/84/18/00/1059841800.db2.gz MXWBIOKAZFVNBN-CWJUKMOQSA-N 0 0 623.728 3.301 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409043555 1059841714 /nfs/dbraw/zinc/84/17/14/1059841714.db2.gz MXWBIOKAZFVNBN-SFKHYTNKSA-N 0 0 623.728 3.301 40 10 KGCBRN Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2C=C2C(=O)NC(=S)NC2=O)cc1 ZINC000409044280 1059840584 /nfs/dbraw/zinc/84/05/84/1059840584.db2.gz BNGLCMMZTOPEKE-UHFFFAOYSA-N 0 0 560.245 3.202 40 10 KGCBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCN(C)CC5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409045897 1059840066 /nfs/dbraw/zinc/84/00/66/1059840066.db2.gz JNVIMPWWJKQOLJ-FHMSYZJOSA-N 0 0 605.717 3.246 40 10 KGCBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCN(C)CC5)c([N+](=O)[O-])c4)c(=O)n32)cc1 ZINC000409045898 1059054861 /nfs/dbraw/zinc/05/48/61/1059054861.db2.gz JNVIMPWWJKQOLJ-OXWVMCNISA-N 0 0 605.717 3.246 40 10 KGCBRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N5CCOCC5)cc4)c(=O)n32)cc1 ZINC000409051430 1059848891 /nfs/dbraw/zinc/84/88/91/1059848891.db2.gz CKBIZSIENSFVCK-ASSGYOTOSA-N 0 0 533.650 3.032 40 10 KGCBRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N5CCOCC5)cc4)c(=O)n32)cc1 ZINC000409051431 1059849043 /nfs/dbraw/zinc/84/90/43/1059849043.db2.gz CKBIZSIENSFVCK-OGRZUZBBSA-N 0 0 533.650 3.032 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409052247 1059848968 /nfs/dbraw/zinc/84/89/68/1059848968.db2.gz CNFRTWCAZZLBOM-XSZPGNIMSA-N 0 0 598.519 3.406 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409052256 1059848919 /nfs/dbraw/zinc/84/89/19/1059848919.db2.gz CNFRTWCAZZLBOM-XXMKCSCWSA-N 0 0 598.519 3.406 40 10 KGCBRN COc1ccc(N2CCN(C(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000409053372 1059849072 /nfs/dbraw/zinc/84/90/72/1059849072.db2.gz JIUMGNFJMRSBLL-UHFFFAOYSA-N 0 0 523.655 3.286 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409054163 1059055795 /nfs/dbraw/zinc/05/57/95/1059055795.db2.gz NFBNLSJRPLTLNK-MKWGYRPRSA-N 0 0 533.650 3.416 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409054166 1059848534 /nfs/dbraw/zinc/84/85/34/1059848534.db2.gz NFBNLSJRPLTLNK-OCEWKHMESA-N 0 0 533.650 3.416 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409055082 1059848376 /nfs/dbraw/zinc/84/83/76/1059848376.db2.gz CGZDGBKBCGMCNW-OWXSRONMSA-N 0 0 503.624 3.407 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409055083 1059848300 /nfs/dbraw/zinc/84/83/00/1059848300.db2.gz CGZDGBKBCGMCNW-ZMIGGIFCSA-N 0 0 503.624 3.407 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000409055142 1059848455 /nfs/dbraw/zinc/84/84/55/1059848455.db2.gz KCOHSYLTDLITGS-ABBNRAPFSA-N 0 0 563.676 3.042 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000409055146 1059848275 /nfs/dbraw/zinc/84/82/75/1059848275.db2.gz KCOHSYLTDLITGS-CSJROMOCSA-N 0 0 563.676 3.042 40 10 KGCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C\c3ccc(N4CCOCC4)cc3)sc2=N1 ZINC000409055331 1059848403 /nfs/dbraw/zinc/84/84/03/1059848403.db2.gz KYHOHKDPAWHFNR-BSGTYYGESA-N 0 0 547.677 3.424 40 10 KGCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C\c3ccc(N4CCOCC4)cc3)sc2=N1 ZINC000409055338 1059848355 /nfs/dbraw/zinc/84/83/55/1059848355.db2.gz KYHOHKDPAWHFNR-XIJDOWMKSA-N 0 0 547.677 3.424 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409055702 1059847845 /nfs/dbraw/zinc/84/78/45/1059847845.db2.gz PIBULCIINAFTOS-LBKCIFGTSA-N 0 0 503.624 3.407 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409055705 1059847876 /nfs/dbraw/zinc/84/78/76/1059847876.db2.gz PIBULCIINAFTOS-QXHVWWCLSA-N 0 0 503.624 3.407 40 10 KGCBRN COc1ccc(N2CCN(C(=O)CN(C3CCCCC3)S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000409055863 1059055772 /nfs/dbraw/zinc/05/57/72/1059055772.db2.gz LGJYXONJOCBNDR-UHFFFAOYSA-N 0 0 531.675 3.385 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409056092 1059847805 /nfs/dbraw/zinc/84/78/05/1059847805.db2.gz MHTSGUQRKFPWIF-LBKCIFGTSA-N 0 0 503.624 3.407 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409056097 1059847665 /nfs/dbraw/zinc/84/76/65/1059847665.db2.gz MHTSGUQRKFPWIF-QXHVWWCLSA-N 0 0 503.624 3.407 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409056415 1059847637 /nfs/dbraw/zinc/84/76/37/1059847637.db2.gz DNUURYIMMFDSMJ-GVMLUORFSA-N 0 0 531.634 3.436 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409056418 1059847704 /nfs/dbraw/zinc/84/77/04/1059847704.db2.gz DNUURYIMMFDSMJ-KMBIYUNPSA-N 0 0 531.634 3.436 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409057263 1059847003 /nfs/dbraw/zinc/84/70/03/1059847003.db2.gz VIHFTCHDWJQJJM-MKWGYRPRSA-N 0 0 533.650 3.416 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409057269 1059847826 /nfs/dbraw/zinc/84/78/26/1059847826.db2.gz VIHFTCHDWJQJJM-OCEWKHMESA-N 0 0 533.650 3.416 40 10 KGCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCOCC4)cc3)sc2=N1 ZINC000409057621 1059851536 /nfs/dbraw/zinc/85/15/36/1059851536.db2.gz KHQUNMIBBXFRAM-FHMSYZJOSA-N 0 0 577.703 3.432 40 10 KGCBRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(N4CCOCC4)cc3)sc2=N1 ZINC000409057628 1059851567 /nfs/dbraw/zinc/85/15/67/1059851567.db2.gz KHQUNMIBBXFRAM-OXWVMCNISA-N 0 0 577.703 3.432 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409057928 1059851653 /nfs/dbraw/zinc/85/16/53/1059851653.db2.gz LXZIBUYFPKGTBU-LBKCIFGTSA-N 0 0 535.691 3.357 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409057933 1059851621 /nfs/dbraw/zinc/85/16/21/1059851621.db2.gz LXZIBUYFPKGTBU-QXHVWWCLSA-N 0 0 535.691 3.357 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000409057975 1059851483 /nfs/dbraw/zinc/85/14/83/1059851483.db2.gz QPUJWHAAYHQKIZ-MKWGYRPRSA-N 0 0 533.650 3.416 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000409057976 1059851383 /nfs/dbraw/zinc/85/13/83/1059851383.db2.gz QPUJWHAAYHQKIZ-OCEWKHMESA-N 0 0 533.650 3.416 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409058328 1059851594 /nfs/dbraw/zinc/85/15/94/1059851594.db2.gz NURKYIXGPOHENW-GJFKPFFXSA-N 0 0 598.519 3.406 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409058332 1059851420 /nfs/dbraw/zinc/85/14/20/1059851420.db2.gz NURKYIXGPOHENW-LWUPDDLQSA-N 0 0 598.519 3.406 40 10 KGCBRN COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)cc4)c(=O)n32)c1 ZINC000409058577 1059850781 /nfs/dbraw/zinc/85/07/81/1059850781.db2.gz SSQJNKOKMARQFL-GTWFGUSFSA-N 0 0 533.650 3.032 40 10 KGCBRN COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)cc4)c(=O)n32)c1 ZINC000409058578 1059851509 /nfs/dbraw/zinc/85/15/09/1059851509.db2.gz SSQJNKOKMARQFL-SJJVXOANSA-N 0 0 533.650 3.032 40 10 KGCBRN COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000409058662 1059850990 /nfs/dbraw/zinc/85/09/90/1059850990.db2.gz USPJXVWBNBQPQF-UHFFFAOYSA-N 0 0 539.654 3.252 40 10 KGCBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3ccc(N4CCOCC4)cc3)sc2=N1 ZINC000409059489 1059850853 /nfs/dbraw/zinc/85/08/53/1059850853.db2.gz RPEJIQISYMKKTL-QPJBPQEWSA-N 0 0 561.660 3.144 40 10 KGCBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3ccc(N4CCOCC4)cc3)sc2=N1 ZINC000409059492 1059850909 /nfs/dbraw/zinc/85/09/09/1059850909.db2.gz RPEJIQISYMKKTL-QTTRZTASSA-N 0 0 561.660 3.144 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409059833 1059855512 /nfs/dbraw/zinc/85/55/12/1059855512.db2.gz OOFVHYBELIYCJH-AQIZGWBQSA-N 0 0 517.607 3.127 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409059836 1059855319 /nfs/dbraw/zinc/85/53/19/1059855319.db2.gz OOFVHYBELIYCJH-ZDGAQAAHSA-N 0 0 517.607 3.127 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000409060306 1059855644 /nfs/dbraw/zinc/85/56/44/1059855644.db2.gz PLOOVJWTCNSVRS-INZJWMLVSA-N 0 0 516.667 3.465 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000409060307 1059855538 /nfs/dbraw/zinc/85/55/38/1059855538.db2.gz PLOOVJWTCNSVRS-NQCZSQBNSA-N 0 0 516.667 3.465 40 10 KGCBRN COc1ccc(N2CCN(C(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000409060587 1059855617 /nfs/dbraw/zinc/85/56/17/1059855617.db2.gz VANHKDBAKBZNAN-UHFFFAOYSA-N 0 0 553.681 3.295 40 10 KGCBRN COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000409060670 1059854813 /nfs/dbraw/zinc/85/48/13/1059854813.db2.gz SNHCCPKCPXZQDV-UHFFFAOYSA-N 0 0 509.628 3.244 40 10 KGCBRN CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3ccc(N4CCOCC4)cc3)sc2=N1 ZINC000409060683 1059854864 /nfs/dbraw/zinc/85/48/64/1059854864.db2.gz STPCTYCYCBPGRJ-NTWBUQQASA-N 0 0 547.677 3.424 40 10 KGCBRN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3ccc(N4CCOCC4)cc3)sc2=N1 ZINC000409060684 1059854838 /nfs/dbraw/zinc/85/48/38/1059854838.db2.gz STPCTYCYCBPGRJ-XKGHIZKOSA-N 0 0 547.677 3.424 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409060702 1059854782 /nfs/dbraw/zinc/85/47/82/1059854782.db2.gz UAWBENNWMKYYPC-GVMLUORFSA-N 0 0 563.676 3.424 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409060703 1059855484 /nfs/dbraw/zinc/85/54/84/1059855484.db2.gz UAWBENNWMKYYPC-KMBIYUNPSA-N 0 0 563.676 3.424 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409060867 1059854894 /nfs/dbraw/zinc/85/48/94/1059854894.db2.gz YUQPAUSJFXMVBF-GOOXQAOHSA-N 0 0 524.042 3.288 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409060870 1059854729 /nfs/dbraw/zinc/85/47/29/1059854729.db2.gz YUQPAUSJFXMVBF-KZVLXBEFSA-N 0 0 524.042 3.288 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409061062 1059854921 /nfs/dbraw/zinc/85/49/21/1059854921.db2.gz UQTWJCZPGWLONK-JAYSWQADSA-N 0 0 531.634 3.436 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409061063 1059056011 /nfs/dbraw/zinc/05/60/11/1059056011.db2.gz UQTWJCZPGWLONK-KEQCBNTKSA-N 0 0 531.634 3.436 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000409061540 1059854227 /nfs/dbraw/zinc/85/42/27/1059854227.db2.gz FFSRTCZTKRHRKU-JAYSWQADSA-N 0 0 628.545 3.415 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000409061541 1059854755 /nfs/dbraw/zinc/85/47/55/1059854755.db2.gz FFSRTCZTKRHRKU-KEQCBNTKSA-N 0 0 628.545 3.415 40 10 KGCBRN COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)cc4)c(=O)n32)c1 ZINC000409062216 1059854296 /nfs/dbraw/zinc/85/42/96/1059854296.db2.gz QCKLMAUQOXGYDJ-BIWBSIMWSA-N 0 0 563.676 3.041 40 10 KGCBRN COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)cc4)c(=O)n32)c1 ZINC000409062217 1059854200 /nfs/dbraw/zinc/85/42/00/1059854200.db2.gz QCKLMAUQOXGYDJ-ZGOFBEGVSA-N 0 0 563.676 3.041 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409062372 1059854346 /nfs/dbraw/zinc/85/43/46/1059854346.db2.gz SOYQPEJNOBYCJD-GJFKPFFXSA-N 0 0 554.068 3.297 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409062373 1059854163 /nfs/dbraw/zinc/85/41/63/1059854163.db2.gz SOYQPEJNOBYCJD-LWUPDDLQSA-N 0 0 554.068 3.297 40 10 KGCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409064059 1059853730 /nfs/dbraw/zinc/85/37/30/1059853730.db2.gz BJUOCINWDJZZOL-UHFFFAOYSA-N 0 0 592.820 3.025 40 10 KGCBRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)cc4)c(=O)n32)cc1 ZINC000409069284 1059858544 /nfs/dbraw/zinc/85/85/44/1059858544.db2.gz MGFYTMQCUGPCRW-HPFVHPJRSA-N 0 0 547.677 3.422 40 10 KGCBRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)cc4)c(=O)n32)cc1 ZINC000409069290 1059858354 /nfs/dbraw/zinc/85/83/54/1059858354.db2.gz MGFYTMQCUGPCRW-WHNPURCTSA-N 0 0 547.677 3.422 40 10 KGCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409073483 1059857135 /nfs/dbraw/zinc/85/71/35/1059857135.db2.gz NNCXYQSSUGDAQJ-UHFFFAOYSA-N 0 0 545.820 3.183 40 10 KGCBRN COc1ccc(N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000409073930 1059856927 /nfs/dbraw/zinc/85/69/27/1059856927.db2.gz UTCCOTGFUXSZKI-UHFFFAOYSA-N 0 0 555.653 3.265 40 10 KGCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409075426 1059855909 /nfs/dbraw/zinc/85/59/09/1059855909.db2.gz YPPQIORIQBZJQO-UHFFFAOYSA-N 0 0 501.369 3.074 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409077862 1059860278 /nfs/dbraw/zinc/86/02/78/1059860278.db2.gz AOCXYRSBHSQAPE-CBYYHRJHSA-N 0 0 643.516 3.314 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409077863 1059861025 /nfs/dbraw/zinc/86/10/25/1059861025.db2.gz AOCXYRSBHSQAPE-PNZYDNNZSA-N 0 0 643.516 3.314 40 10 KGCBRN COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000409078384 1059860400 /nfs/dbraw/zinc/86/04/00/1059860400.db2.gz CAGZRDJIRWYVBA-MHWRWJLKSA-N 0 0 511.375 3.332 40 10 KGCBRN COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC ZINC000409079742 1059859726 /nfs/dbraw/zinc/85/97/26/1059859726.db2.gz MCVPLUZOFPMMDK-VQZCYCSMSA-N 0 0 502.408 3.390 40 10 KGCBRN COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OC ZINC000409079744 1059859694 /nfs/dbraw/zinc/85/96/94/1059859694.db2.gz MCVPLUZOFPMMDK-YNUIFBACSA-N 0 0 502.408 3.390 40 10 KGCBRN COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409085224 1059861540 /nfs/dbraw/zinc/86/15/40/1059861540.db2.gz YXWSPECAYNLAFN-MHWRWJLKSA-N 0 0 558.375 3.174 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409093153 1059867544 /nfs/dbraw/zinc/86/75/44/1059867544.db2.gz YLLWDAHZCKJPPH-LMSRTUJASA-N 0 0 656.559 3.229 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409093154 1059867399 /nfs/dbraw/zinc/86/73/99/1059867399.db2.gz YLLWDAHZCKJPPH-RISWYLRJSA-N 0 0 656.559 3.229 40 10 KGCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409094630 1059866805 /nfs/dbraw/zinc/86/68/05/1059866805.db2.gz FCOHRPZRTICLER-HPFVHPJRSA-N 0 0 609.152 3.417 40 10 KGCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409094631 1059867070 /nfs/dbraw/zinc/86/70/70/1059867070.db2.gz FCOHRPZRTICLER-WHNPURCTSA-N 0 0 609.152 3.417 40 10 KGCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409095094 1059866221 /nfs/dbraw/zinc/86/62/21/1059866221.db2.gz HEBCWSBCFBPBCB-LBKCIFGTSA-N 0 0 504.656 3.178 40 10 KGCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409095098 1059866477 /nfs/dbraw/zinc/86/64/77/1059866477.db2.gz HEBCWSBCFBPBCB-QXHVWWCLSA-N 0 0 504.656 3.178 40 10 KGCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409095820 1059864980 /nfs/dbraw/zinc/86/49/80/1059864980.db2.gz DJOXQNMHUPGFQF-MKWGYRPRSA-N 0 0 534.682 3.187 40 10 KGCBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409095823 1059865192 /nfs/dbraw/zinc/86/51/92/1059865192.db2.gz DJOXQNMHUPGFQF-OCEWKHMESA-N 0 0 534.682 3.187 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000409097680 1059873631 /nfs/dbraw/zinc/87/36/31/1059873631.db2.gz NEZLVHKYJYWNJD-FTAOIEMSSA-N 0 0 577.688 3.413 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000409097685 1059873833 /nfs/dbraw/zinc/87/38/33/1059873833.db2.gz NEZLVHKYJYWNJD-VEWQMQJVSA-N 0 0 577.688 3.413 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000409106115 1059058590 /nfs/dbraw/zinc/05/85/90/1059058590.db2.gz QJBBMUMROIDRRW-FIWMFUAISA-N 0 0 547.662 3.399 40 10 KGCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000409106118 1059875620 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