smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4cnc(C)nc4)o3)CC2)cc1 ZINC000216637302 557149846 /nfs/dbraw/zinc/14/98/46/557149846.db2.gz GUDCYYBDTFSICN-UHFFFAOYSA-N 0 0 429.502 2.802 40 70 IFIBRN CCCCc1ccc(NC(=O)c2ccc(N3CCN(C)CC3)c(S(=O)(=O)NC)c2)cc1 ZINC000216792248 557154597 /nfs/dbraw/zinc/15/45/97/557154597.db2.gz OIOSIKHINCTNLL-UHFFFAOYSA-N 0 0 444.601 2.941 40 70 IFIBRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C)c1ccc(OC)cc1 ZINC000216865438 557159386 /nfs/dbraw/zinc/15/93/86/557159386.db2.gz HBRSZRGQZNGXMQ-JOCHJYFZSA-N 0 0 445.585 2.821 40 70 IFIBRN CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCCc3ccc(Cl)cc3)c2)CC1 ZINC000216867148 557159723 /nfs/dbraw/zinc/15/97/23/557159723.db2.gz IAPKGKCWYBOYEP-UHFFFAOYSA-N 0 0 435.977 2.639 40 70 IFIBRN CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 ZINC000216870926 557160421 /nfs/dbraw/zinc/16/04/21/557160421.db2.gz WIFWWFHGFSUUKA-UHFFFAOYSA-N 0 0 435.933 2.731 40 70 IFIBRN CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1 ZINC000216878061 557160764 /nfs/dbraw/zinc/16/07/64/557160764.db2.gz SHEKSLMCOTULHX-UHFFFAOYSA-N 0 0 435.933 2.731 40 70 IFIBRN CC(C)Oc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1 ZINC000216885907 557161694 /nfs/dbraw/zinc/16/16/94/557161694.db2.gz SSUYUNURKOPJBG-UHFFFAOYSA-N 0 0 431.558 2.803 40 70 IFIBRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[nH]c(=O)c32)c(F)c1 ZINC000217816639 557174269 /nfs/dbraw/zinc/17/42/69/557174269.db2.gz BRNWCNXQKGDXKW-MGPQQGTHSA-N 0 0 427.480 2.764 40 70 IFIBRN COc1ccc(-c2noc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)c(OC)c1 ZINC000218129749 557177502 /nfs/dbraw/zinc/17/75/02/557177502.db2.gz OJJZMIFEGWETPR-UHFFFAOYSA-N 0 0 429.429 2.710 40 70 IFIBRN Cc1cccc(N(CC(=O)NCc2nc(-c3ccccc3Cl)no2)S(C)(=O)=O)c1 ZINC000218231749 557183422 /nfs/dbraw/zinc/18/34/22/557183422.db2.gz CSFOBCGAQBODSE-UHFFFAOYSA-N 0 0 434.905 2.781 40 70 IFIBRN CS(=O)(=O)N(CC(=O)NCc1nc(-c2cccs2)no1)c1ccc(Cl)cc1 ZINC000218252387 557185210 /nfs/dbraw/zinc/18/52/10/557185210.db2.gz MCPXEHPZBWQQNJ-UHFFFAOYSA-N 0 0 426.907 2.534 40 70 IFIBRN Cc1cccc(-c2noc(CNC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)n2)c1 ZINC000218252219 557185223 /nfs/dbraw/zinc/18/52/23/557185223.db2.gz BMVIBZKIRKHOSW-UHFFFAOYSA-N 0 0 434.905 2.781 40 70 IFIBRN COc1ccc(Cl)cc1N(CC(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O ZINC000218266829 557185972 /nfs/dbraw/zinc/18/59/72/557185972.db2.gz MEPZXWPHXYPMJD-UHFFFAOYSA-N 0 0 439.965 2.757 40 70 IFIBRN Cc1ccc(-c2noc(CNC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)n2)cc1 ZINC000218272666 557186677 /nfs/dbraw/zinc/18/66/77/557186677.db2.gz BLQLKFAGMHOUCF-UHFFFAOYSA-N 0 0 428.514 2.744 40 70 IFIBRN COc1ccc(N([C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1 ZINC000218278726 557187143 /nfs/dbraw/zinc/18/71/43/557187143.db2.gz LOXZTNFTRJVCGX-HNNXBMFYSA-N 0 0 444.513 2.558 40 70 IFIBRN Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)n2)c1 ZINC000218291535 557189106 /nfs/dbraw/zinc/18/91/06/557189106.db2.gz VJMKDNITSRHQDK-INIZCTEOSA-N 0 0 428.514 2.858 40 70 IFIBRN COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)n2)cc1 ZINC000218291910 557189331 /nfs/dbraw/zinc/18/93/31/557189331.db2.gz GPFTZKZDNIVVDZ-OAHLLOKOSA-N 0 0 444.513 2.558 40 70 IFIBRN CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(F)c1 ZINC000218323953 557192875 /nfs/dbraw/zinc/19/28/75/557192875.db2.gz PWZGPLREAGHIKS-UHFFFAOYSA-N 0 0 438.868 2.612 40 70 IFIBRN CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218443663 557199980 /nfs/dbraw/zinc/19/99/80/557199980.db2.gz URNWFXNDLFHCJN-LJQANCHMSA-N 0 0 438.571 2.757 40 70 IFIBRN C[C@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218451918 557200585 /nfs/dbraw/zinc/20/05/85/557200585.db2.gz IMGJHBKPBLWRAZ-OAHLLOKOSA-N 0 0 439.940 2.982 40 70 IFIBRN C[C@H](C(=O)N(C)Cc1nc(-c2ccccc2)no1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218464339 557201135 /nfs/dbraw/zinc/20/11/35/557201135.db2.gz SFYZIXRYUDONDT-CQSZACIVSA-N 0 0 432.477 2.689 40 70 IFIBRN C[C@@H](C(=O)N(C)Cc1nc(-c2cccs2)no1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218464794 557201142 /nfs/dbraw/zinc/20/11/42/557201142.db2.gz QQBIZNNQGMNYAV-LBPRGKRZSA-N 0 0 438.506 2.750 40 70 IFIBRN COc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000218484179 557202339 /nfs/dbraw/zinc/20/23/39/557202339.db2.gz QJOOBQXDJXEWKX-GFCCVEGCSA-N 0 0 440.905 2.548 40 70 IFIBRN COc1cccc(-c2noc(CN(C)C(=O)c3ccc(C)c(NS(C)(=O)=O)c3)n2)c1 ZINC000218590699 557208930 /nfs/dbraw/zinc/20/89/30/557208930.db2.gz YQYGYQNKJUPENK-UHFFFAOYSA-N 0 0 430.486 2.697 40 70 IFIBRN COc1ccc(OC[C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 ZINC000218621832 557210423 /nfs/dbraw/zinc/21/04/23/557210423.db2.gz HYOZFDASPQIYKQ-QGZVFWFLSA-N 0 0 432.542 2.985 40 70 IFIBRN CN(Cc1ccc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1)S(C)(=O)=O ZINC000218762553 557214076 /nfs/dbraw/zinc/21/40/76/557214076.db2.gz CPGRZVHCUPUJAD-IBGZPJMESA-N 0 0 432.542 2.875 40 70 IFIBRN Cc1ccc(C)c(N(CC(=O)N[C@@H](C)COc2ccccc2C)S(=O)(=O)N(C)C)c1 ZINC000218766687 557214668 /nfs/dbraw/zinc/21/46/68/557214668.db2.gz GUEOJRHJFAYZCA-IBGZPJMESA-N 0 0 433.574 2.808 40 70 IFIBRN CCS(=O)(=O)N(CC(=O)N[C@H](C)COc1ccccc1C)c1ccc2c(c1)OCCO2 ZINC000218765944 557214754 /nfs/dbraw/zinc/21/47/54/557214754.db2.gz MSEHGZVHGWAMCB-QGZVFWFLSA-N 0 0 448.541 2.506 40 70 IFIBRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)COc3ccc(C)cc3)C2)cc1 ZINC000218775447 557215207 /nfs/dbraw/zinc/21/52/07/557215207.db2.gz CGYCDNAZGJOKGY-OALUTQOASA-N 0 0 446.569 2.988 40 70 IFIBRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCc3ccc(F)cc3)C2)cc1 ZINC000218773870 557215389 /nfs/dbraw/zinc/21/53/89/557215389.db2.gz WSCCLIVISKGWRZ-SFHVURJKSA-N 0 0 434.533 2.984 40 70 IFIBRN O=C(CCc1ccccc1Br)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217620792 568901481 /nfs/dbraw/zinc/90/14/81/568901481.db2.gz YGWKADLCSKTSFC-UHFFFAOYSA-N 0 0 431.334 2.593 40 70 IFIBRN CCOC[C@]1(C(N)=S)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218174885 569456634 /nfs/dbraw/zinc/45/66/34/569456634.db2.gz JDHHXOJISZZKSV-ZJOUEHCJSA-N 0 0 433.551 2.972 40 70 IFIBRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4cnc(C)nc4)o3)C2)cc1 ZINC000216657600 557150933 /nfs/dbraw/zinc/15/09/33/557150933.db2.gz KWDTZTWWZCKLEB-HNNXBMFYSA-N 0 0 429.502 2.802 40 70 IFIBRN COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4cncnc4C)o3)C2)cc1C ZINC000216659678 557151229 /nfs/dbraw/zinc/15/12/29/557151229.db2.gz XOTFFPPLCOYYQI-HNNXBMFYSA-N 0 0 429.502 2.720 40 70 IFIBRN COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216784634 557153589 /nfs/dbraw/zinc/15/35/89/557153589.db2.gz KOXTZFWFBHNMOM-UHFFFAOYSA-N 0 0 437.949 2.845 40 70 IFIBRN COc1ccccc1CNC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O ZINC000216853106 557157327 /nfs/dbraw/zinc/15/73/27/557157327.db2.gz NQYWFBFPADFYFX-UHFFFAOYSA-N 0 0 432.498 2.539 40 70 IFIBRN CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(OC)cc1 ZINC000216859614 557158216 /nfs/dbraw/zinc/15/82/16/557158216.db2.gz AVIRQGJYXWYRMP-OAQYLSRUSA-N 0 0 445.585 2.821 40 70 IFIBRN CC[C@@H](CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1)Cc1ccccc1 ZINC000216859990 557158505 /nfs/dbraw/zinc/15/85/05/557158505.db2.gz ZJEMBHOCKFTZNU-HXUWFJFHSA-N 0 0 443.613 2.930 40 70 IFIBRN Cc1ccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1 ZINC000216864440 557158898 /nfs/dbraw/zinc/15/88/98/557158898.db2.gz XCBRTCKNLSVWGY-UHFFFAOYSA-N 0 0 429.586 2.602 40 70 IFIBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccc(OC(C)C)cc1 ZINC000216865040 557159335 /nfs/dbraw/zinc/15/93/35/557159335.db2.gz PFHFVYDOANSAJJ-UHFFFAOYSA-N 0 0 445.585 2.648 40 70 IFIBRN CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCCc3ccccc3Cl)c2)CC1 ZINC000216867110 557159650 /nfs/dbraw/zinc/15/96/50/557159650.db2.gz AZWSWOOZMGHNQC-UHFFFAOYSA-N 0 0 435.977 2.639 40 70 IFIBRN CC[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)Cc1ccccc1 ZINC000216868288 557159675 /nfs/dbraw/zinc/15/96/75/557159675.db2.gz YDZKQQIFHBXRQB-LJQANCHMSA-N 0 0 429.586 2.621 40 70 IFIBRN CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)CC1 ZINC000216884571 557161558 /nfs/dbraw/zinc/16/15/58/557161558.db2.gz JGEWZUAYZZGTLS-UHFFFAOYSA-N 0 0 425.913 2.809 40 70 IFIBRN Cc1ccc(N(CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)S(C)(=O)=O)cc1 ZINC000218234548 557183739 /nfs/dbraw/zinc/18/37/39/557183739.db2.gz WKIGPAPGBVHXRP-UHFFFAOYSA-N 0 0 434.905 2.781 40 70 IFIBRN COc1ccc(OC[C@H](C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000218250218 557184842 /nfs/dbraw/zinc/18/48/42/557184842.db2.gz AZFVRXMESBICJD-AWEZNQCLSA-N 0 0 426.922 2.698 40 70 IFIBRN Cc1cccc(-c2noc(CN(C)C(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)n2)c1 ZINC000218265785 557186050 /nfs/dbraw/zinc/18/60/50/557186050.db2.gz QHCIBJZUAGOEAP-UHFFFAOYSA-N 0 0 432.477 2.609 40 70 IFIBRN CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1F ZINC000218263395 557186064 /nfs/dbraw/zinc/18/60/64/557186064.db2.gz FEPRPXVFMQNTOV-UHFFFAOYSA-N 0 0 438.868 2.612 40 70 IFIBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000218264066 557186090 /nfs/dbraw/zinc/18/60/90/557186090.db2.gz SRAFVWRUAHAURF-UHFFFAOYSA-N 0 0 438.506 2.752 40 70 IFIBRN Cc1ccc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1Cl ZINC000218270967 557186649 /nfs/dbraw/zinc/18/66/49/557186649.db2.gz XPRLMHXCJRAIEY-UHFFFAOYSA-N 0 0 434.905 2.781 40 70 IFIBRN COc1ccc(N([C@H](C)C(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)cc1 ZINC000218279211 557187291 /nfs/dbraw/zinc/18/72/91/557187291.db2.gz PIBSFAURDHHVFA-GOSISDBHSA-N 0 0 445.585 2.809 40 70 IFIBRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000218315398 557192717 /nfs/dbraw/zinc/19/27/17/557192717.db2.gz UJLPGUBTSOMLPK-UHFFFAOYSA-N 0 0 435.505 2.640 40 70 IFIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000218419604 557198279 /nfs/dbraw/zinc/19/82/79/557198279.db2.gz RHWHVZNKDCCGRQ-LJQANCHMSA-N 0 0 447.557 2.727 40 70 IFIBRN COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCN(C)c1ccccc1)S(C)(=O)=O ZINC000218486509 557202563 /nfs/dbraw/zinc/20/25/63/557202563.db2.gz OKVQBOXORJJUDA-HNNXBMFYSA-N 0 0 439.965 2.756 40 70 IFIBRN COc1ccc(N([C@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1Cl ZINC000218557342 557207442 /nfs/dbraw/zinc/20/74/42/557207442.db2.gz MLAMDGGOWPYZQA-OAHLLOKOSA-N 0 0 439.965 2.756 40 70 IFIBRN COc1cccc(-c2noc(CN(C)C(=O)c3cccc(NS(C)(=O)=O)c3C)n2)c1 ZINC000218582520 557208515 /nfs/dbraw/zinc/20/85/15/557208515.db2.gz WMZPNKCVNRXSHY-UHFFFAOYSA-N 0 0 430.486 2.697 40 70 IFIBRN COc1ccc(-c2noc(CN(C)C(=O)c3ccc(NS(C)(=O)=O)c(C)c3)n2)cc1 ZINC000218600415 557209348 /nfs/dbraw/zinc/20/93/48/557209348.db2.gz NKCQEDZKQIVOHA-UHFFFAOYSA-N 0 0 430.486 2.697 40 70 IFIBRN CCOc1ccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000218628827 557211089 /nfs/dbraw/zinc/21/10/89/557211089.db2.gz FYQLOAVMGSQDBY-UHFFFAOYSA-N 0 0 446.569 2.777 40 70 IFIBRN Cc1ccc(OC[C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000218629122 557211229 /nfs/dbraw/zinc/21/12/29/557211229.db2.gz TWOBDOMRUSTCNU-GOSISDBHSA-N 0 0 432.542 2.522 40 70 IFIBRN CS(=O)(=O)N(CCCC(=O)NCc1nc(-c2cccs2)no1)c1ccc(F)cc1 ZINC000218746063 557213866 /nfs/dbraw/zinc/21/38/66/557213866.db2.gz HEKWHWFHCPYWED-UHFFFAOYSA-N 0 0 438.506 2.800 40 70 IFIBRN CC(C)Oc1ccc(CCCNC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1 ZINC000218762333 557214050 /nfs/dbraw/zinc/21/40/50/557214050.db2.gz IKZWYVUJGBPBHT-UHFFFAOYSA-N 0 0 448.585 2.993 40 70 IFIBRN CCOc1ccc(CCCNC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)cc1 ZINC000218764737 557214463 /nfs/dbraw/zinc/21/44/63/557214463.db2.gz IKVYASURPLJEKL-UHFFFAOYSA-N 0 0 448.541 2.719 40 70 IFIBRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)COc3ccc(C)cc3)C2)cc1 ZINC000218775361 557215305 /nfs/dbraw/zinc/21/53/05/557215305.db2.gz CGYCDNAZGJOKGY-RBUKOAKNSA-N 0 0 446.569 2.988 40 70 IFIBRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1 ZINC000218773593 557215344 /nfs/dbraw/zinc/21/53/44/557215344.db2.gz WGPVYKVHRXDBFU-UHFFFAOYSA-N 0 0 430.574 2.502 40 70 IFIBRN CC[C@H](NC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218783007 557215572 /nfs/dbraw/zinc/21/55/72/557215572.db2.gz STXIYDLJTBVLRN-IBGZPJMESA-N 0 0 438.571 2.757 40 70 IFIBRN CCOC[C@]1(C(N)=S)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218174720 569456623 /nfs/dbraw/zinc/45/66/23/569456623.db2.gz JDHHXOJISZZKSV-DYXWJJEUSA-N 0 0 433.551 2.972 40 70 IFIBRN CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N1CCN(C)CC1 ZINC000216793776 557154921 /nfs/dbraw/zinc/15/49/21/557154921.db2.gz KVYJOSUWKLJTSD-UHFFFAOYSA-N 0 0 436.965 2.642 40 70 IFIBRN CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000216795697 557155584 /nfs/dbraw/zinc/15/55/84/557155584.db2.gz BDPSYEMLJGCQPN-UHFFFAOYSA-N 0 0 438.347 2.638 40 70 IFIBRN Cc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216859149 557158097 /nfs/dbraw/zinc/15/80/97/557158097.db2.gz VGRIPAZOTNPVOM-UHFFFAOYSA-N 0 0 445.585 2.648 40 70 IFIBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000216863652 557158767 /nfs/dbraw/zinc/15/87/67/557158767.db2.gz CXOCOEABIUIOGJ-UHFFFAOYSA-N 0 0 431.602 2.630 40 70 IFIBRN CN1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2Cl)CC1 ZINC000216871198 557160575 /nfs/dbraw/zinc/16/05/75/557160575.db2.gz FAJMPEFMJYNLER-UHFFFAOYSA-N 0 0 429.876 2.807 40 70 IFIBRN CCOc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1 ZINC000216879795 557161264 /nfs/dbraw/zinc/16/12/64/557161264.db2.gz DGVIKZLLJQPAEP-UHFFFAOYSA-N 0 0 437.949 2.927 40 70 IFIBRN CC(C)Oc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1 ZINC000216885963 557161514 /nfs/dbraw/zinc/16/15/14/557161514.db2.gz SHXICNCMZFPFLT-UHFFFAOYSA-N 0 0 431.558 2.803 40 70 IFIBRN CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccc(C)cc1 ZINC000216888815 557161990 /nfs/dbraw/zinc/16/19/90/557161990.db2.gz KLWNBDRNZAZBFL-JOCHJYFZSA-N 0 0 429.586 2.953 40 70 IFIBRN O=C(Nc1ccc(N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)nc1)c1ccc2c(c1)OCO2 ZINC000217552940 557171037 /nfs/dbraw/zinc/17/10/37/557171037.db2.gz 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