smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000009250526 1070368368 /nfs/dbraw/zinc/36/83/68/1070368368.db2.gz BTDYVIYRHKXGGJ-UHFFFAOYSA-N 0 0 476.511 0.798 20 10 JCCDRN Cc1cc(C(=O)COC(=O)Cn2cnc3c(cnn3C)c2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000012057210 1070403893 /nfs/dbraw/zinc/40/38/93/1070403893.db2.gz QJJIHFHSRXAISB-UHFFFAOYSA-N 0 0 498.521 0.611 20 10 JCCDRN CN(C)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000015035687 1067996974 /nfs/dbraw/zinc/99/69/74/1067996974.db2.gz GQMFIEMXXCFAKI-UHFFFAOYSA-N 0 0 495.627 0.023 20 10 JCCDRN CC(=O)N1CCN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CC1 ZINC000015377042 1070169941 /nfs/dbraw/zinc/16/99/41/1070169941.db2.gz ZVCABIREQDJEOD-WOJGMQOQSA-N 0 0 476.580 0.897 20 10 JCCDRN CN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000015571790 1068273477 /nfs/dbraw/zinc/27/34/77/1068273477.db2.gz UWJCLJVGEWMHBI-OAQYLSRUSA-N 0 0 450.605 0.286 20 10 JCCDRN CN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000015571791 1068273381 /nfs/dbraw/zinc/27/33/81/1068273381.db2.gz UWJCLJVGEWMHBI-NRFANRHFSA-N 0 0 450.605 0.286 20 10 JCCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000016163248 1068341590 /nfs/dbraw/zinc/34/15/90/1068341590.db2.gz JIYOPCZGVAASMH-UHFFFAOYSA-N 0 0 456.503 0.092 20 10 JCCDRN Cc1cc(C(=O)COC(=O)[C@@H]2CCCN2S(C)(=O)=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000018361067 1069402754 /nfs/dbraw/zinc/40/27/54/1069402754.db2.gz CYDSQSGCVXYPQD-SFHVURJKSA-N 0 0 483.568 0.891 20 10 JCCDRN Cc1cc(C(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000018580478 1069414852 /nfs/dbraw/zinc/41/48/52/1069414852.db2.gz AOMAJIFXSBNMLG-UHFFFAOYSA-N 0 0 460.468 0.018 20 10 JCCDRN Cc1cc(C(=O)COC(=O)CN2C(=O)CN(C)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000019113470 1069463089 /nfs/dbraw/zinc/46/30/89/1069463089.db2.gz PGNSKNKWGQWMGZ-UHFFFAOYSA-N 0 0 462.484 0.361 20 10 JCCDRN CCN(CC)S(=O)(=O)N1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000021397900 1069788745 /nfs/dbraw/zinc/78/87/45/1069788745.db2.gz NUYSUHAWRSIPLP-UHFFFAOYSA-N 0 0 453.609 0.548 20 10 JCCDRN COCCNC(=O)CN1CCN(CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 ZINC000023367457 1067641301 /nfs/dbraw/zinc/64/13/01/1067641301.db2.gz DDNSZNKESUVJRA-UHFFFAOYSA-N 0 0 491.614 0.304 20 10 JCCDRN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000023398055 1067652262 /nfs/dbraw/zinc/65/22/62/1067652262.db2.gz UWNWJRNXPCRSHV-UHFFFAOYSA-N 0 0 475.570 0.880 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CN3CCN(c4ncnc5c4cnn5C)CC3)CC2)cc1 ZINC000023631439 1067724216 /nfs/dbraw/zinc/72/42/16/1067724216.db2.gz UKUPOWLVBVYJDD-UHFFFAOYSA-N 0 0 450.547 0.843 20 10 JCCDRN NS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)c([N+](=O)[O-])c1 ZINC000024153361 1067808987 /nfs/dbraw/zinc/80/89/87/1067808987.db2.gz RUZFVHORJWCJNS-UHFFFAOYSA-N 0 0 484.541 0.758 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CN3CCN(S(=O)(=O)c4c(C)noc4C)CC3)CC2)cc1 ZINC000024942186 1069040287 /nfs/dbraw/zinc/04/02/87/1069040287.db2.gz HALIZQUEJSZSNL-UHFFFAOYSA-N 0 0 477.587 0.955 20 10 JCCDRN CN(C)c1ccc(CN(C)C(=O)Cn2c(Br)nc3c2n(C)c(=O)n(C)c3=O)cc1 ZINC000027209822 1070285896 /nfs/dbraw/zinc/28/58/96/1070285896.db2.gz QLSBUSLHINATHL-UHFFFAOYSA-N 0 0 463.336 0.921 20 10 JCCDRN CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC000027427368 1068032180 /nfs/dbraw/zinc/03/21/80/1068032180.db2.gz NIMLQBISYMNIND-UHFFFAOYSA-N 0 0 456.524 0.825 20 10 JCCDRN CN1C(=O)C(=CNc2ccc(S(=O)(=O)NCCCN3CCOCC3)cc2)C(=O)N(C)C1=O ZINC000029003397 1070350103 /nfs/dbraw/zinc/35/01/03/1070350103.db2.gz BQIVNIFVDNATHY-UHFFFAOYSA-N 0 0 465.532 0.033 20 10 JCCDRN CCN1C(=O)C(=CNc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)C(=O)N(CC)C1=S ZINC000029003654 1070349737 /nfs/dbraw/zinc/34/97/37/1070349737.db2.gz PMHVKVCJJPZECZ-UHFFFAOYSA-N 0 0 495.627 0.923 20 10 JCCDRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000029003659 1070349991 /nfs/dbraw/zinc/34/99/91/1070349991.db2.gz NWZCRWCHDKTOSZ-VBKFSLOCSA-N 0 0 495.627 0.826 20 10 JCCDRN COC(=O)Cc1c(C(=O)OC)sc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)c1C(=O)OC ZINC000029006502 1070350064 /nfs/dbraw/zinc/35/00/64/1070350064.db2.gz AIHXFIPGBKPVET-UHFFFAOYSA-N 0 0 453.429 0.383 20 10 JCCDRN CCOC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(C(=O)OC)c1CC(=O)OC ZINC000029006516 1070350287 /nfs/dbraw/zinc/35/02/87/1070350287.db2.gz QIDXCEKZIKULHU-UHFFFAOYSA-N 0 0 455.470 0.254 20 10 JCCDRN CCOC(=O)c1c(CC(=O)OC)c(C(=O)OC)sc1NC=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000029006523 1070350406 /nfs/dbraw/zinc/35/04/06/1070350406.db2.gz VWJYJUPZSOJLRI-UHFFFAOYSA-N 0 0 467.456 0.773 20 10 JCCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1 ZINC000036795397 1068222549 /nfs/dbraw/zinc/22/25/49/1068222549.db2.gz IVNCCNNJFJGADJ-UHFFFAOYSA-N 0 0 478.571 0.927 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3cccs3)CC2)cc1 ZINC000043775165 1070499796 /nfs/dbraw/zinc/49/97/96/1070499796.db2.gz OSWLMRBNXWJFKR-UHFFFAOYSA-N 0 0 453.542 0.927 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)cc1 ZINC000104827497 1068043900 /nfs/dbraw/zinc/04/39/00/1068043900.db2.gz VQWPKMPSTIJOPS-UHFFFAOYSA-N 0 0 460.512 0.385 20 10 JCCDRN CC(C)CN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000104890047 1068046512 /nfs/dbraw/zinc/04/65/12/1068046512.db2.gz ZWGYJRTUSMDSRQ-UHFFFAOYSA-N 0 0 464.548 0.261 20 10 JCCDRN CCCCn1c(N)c(N(Cc2ccco2)C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c(=O)[nH]c1=O ZINC000104895501 1068046774 /nfs/dbraw/zinc/04/67/74/1068046774.db2.gz AWKZFIKXVJDSHH-UHFFFAOYSA-N 0 0 488.526 0.543 20 10 JCCDRN COc1ccc(N2CCN(C(=O)Cn3nc(C)c(S(=O)(=O)N4CCOCC4)c3C)CC2)cc1 ZINC000104947557 1069812318 /nfs/dbraw/zinc/81/23/18/1069812318.db2.gz HJGUXUXDGVJOSL-UHFFFAOYSA-N 0 0 477.587 0.878 20 10 JCCDRN Cn1cc(/C=C/C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c(=O)n(C)c1=O ZINC000105398515 1069872283 /nfs/dbraw/zinc/87/22/83/1069872283.db2.gz KMZNDXLFYZUJEU-RMKNXTFCSA-N 0 0 458.540 0.861 20 10 JCCDRN COC(=O)/C=C/c1ccc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c([N+](=O)[O-])c1 ZINC000108078924 1068093085 /nfs/dbraw/zinc/09/30/85/1068093085.db2.gz ZXENQZPZQZECSR-ZZXKWVIFSA-N 0 0 464.456 0.984 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)cc2F)C[C@H](C)O1 ZINC000108281923 1068311843 /nfs/dbraw/zinc/31/18/43/1068311843.db2.gz RYYTXBNPOVNCJL-OKILXGFUSA-N 0 0 458.494 0.503 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)cc2F)C[C@H](C)O1 ZINC000108281925 1068311646 /nfs/dbraw/zinc/31/16/46/1068311646.db2.gz RYYTXBNPOVNCJL-KBPBESRZSA-N 0 0 458.494 0.503 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)cc2F)C[C@@H](C)O1 ZINC000108281928 1068311695 /nfs/dbraw/zinc/31/16/95/1068311695.db2.gz RYYTXBNPOVNCJL-ZIAGYGMSSA-N 0 0 458.494 0.503 20 10 JCCDRN CCNc1nc2nnc(SCC(=O)Nc3ccc(CS(N)(=O)=O)cc3)n2c(NCC)n1 ZINC000108776230 1069664543 /nfs/dbraw/zinc/66/45/43/1069664543.db2.gz UCAQIIHTVBGFPH-UHFFFAOYSA-N 0 0 465.565 0.902 20 10 JCCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000108804817 1069667537 /nfs/dbraw/zinc/66/75/37/1069667537.db2.gz VHNWAIGHYOQCRZ-UHFFFAOYSA-N 0 0 458.540 0.574 20 10 JCCDRN Cc1cc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccccn1 ZINC000108824838 1069671853 /nfs/dbraw/zinc/67/18/53/1069671853.db2.gz PVCIWXDFCWRHNF-QGZVFWFLSA-N 0 0 466.585 0.764 20 10 JCCDRN Cc1cc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccccn1 ZINC000108824840 1069671832 /nfs/dbraw/zinc/67/18/32/1069671832.db2.gz PVCIWXDFCWRHNF-KRWDZBQOSA-N 0 0 466.585 0.764 20 10 JCCDRN CCNc1nc2nnc(SCC(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)n2c(NCC)n1 ZINC000109040881 1069477346 /nfs/dbraw/zinc/47/73/46/1069477346.db2.gz VFJCVWXOMKXHNJ-LLVKDONJSA-N 0 0 457.586 0.015 20 10 JCCDRN CCNc1nc2nnc(SCC(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)n2c(NCC)n1 ZINC000109040883 1069477440 /nfs/dbraw/zinc/47/74/40/1069477440.db2.gz VFJCVWXOMKXHNJ-NSHDSACASA-N 0 0 457.586 0.015 20 10 JCCDRN CCNC(=O)CN1CCCN(C(=O)CSc2nnc3nc(NCC)nc(NCC)n32)CC1 ZINC000109120307 1069478689 /nfs/dbraw/zinc/47/86/89/1069478689.db2.gz PPOMKVIRJMXLCA-UHFFFAOYSA-N 0 0 464.600 0.145 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CCc3nc4c([nH]3)n(C)c(=O)[nH]c4=O)cc2F)C[C@H](C)O1 ZINC000109413410 1069936064 /nfs/dbraw/zinc/93/60/64/1069936064.db2.gz RQUUWXLANPSYEP-BETUJISGSA-N 0 0 458.494 0.952 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)CCc3nc4c([nH]3)n(C)c(=O)[nH]c4=O)cc2F)C[C@H](C)O1 ZINC000109413411 1069936075 /nfs/dbraw/zinc/93/60/75/1069936075.db2.gz RQUUWXLANPSYEP-STQMWFEESA-N 0 0 458.494 0.952 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CCc3nc4c([nH]3)n(C)c(=O)[nH]c4=O)cc2F)C[C@@H](C)O1 ZINC000109413413 1069936011 /nfs/dbraw/zinc/93/60/11/1069936011.db2.gz RQUUWXLANPSYEP-CHWSQXEVSA-N 0 0 458.494 0.952 20 10 JCCDRN CCS(=O)(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 ZINC000109638385 1069946251 /nfs/dbraw/zinc/94/62/51/1069946251.db2.gz XEDNPWJOZFTLOL-UHFFFAOYSA-N 0 0 468.601 0.892 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)CCNS(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 ZINC000109999996 1069949448 /nfs/dbraw/zinc/94/94/48/1069949448.db2.gz HRYFAJSBJWXGIH-UHFFFAOYSA-N 0 0 479.559 0.298 20 10 JCCDRN Cc1cc(C(=O)CN2CCC[C@H](NS(C)(=O)=O)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000110182590 1069950848 /nfs/dbraw/zinc/95/08/48/1069950848.db2.gz KAWOKXWCZJYRCS-INIZCTEOSA-N 0 0 468.601 0.938 20 10 JCCDRN Cc1cc(C(=O)CN2CCC[C@@H](NS(C)(=O)=O)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000110182592 1069950983 /nfs/dbraw/zinc/95/09/83/1069950983.db2.gz KAWOKXWCZJYRCS-MRXNPFEDSA-N 0 0 468.601 0.938 20 10 JCCDRN COC(=O)/C=C\c1ccc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c([N+](=O)[O-])c1 ZINC000208277502 1071237158 /nfs/dbraw/zinc/23/71/58/1071237158.db2.gz ZXENQZPZQZECSR-UTCJRWHESA-N 0 0 464.456 0.984 20 10 JCCDRN CC(=O)N1CCN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1 ZINC000212888125 1070309974 /nfs/dbraw/zinc/30/99/74/1070309974.db2.gz ZVCABIREQDJEOD-WQRHYEAKSA-N 0 0 476.580 0.897 20 10 JCCDRN CCOC(=O)C1=C(C)C(C(=O)NC)=S=C1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000514519977 1068740568 /nfs/dbraw/zinc/74/05/68/1068740568.db2.gz HFOAQFIKXYUJRW-UHFFFAOYSA-N 0 0 465.553 0.413 20 10 JCCDRN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)c1 ZINC000515578709 1068827890 /nfs/dbraw/zinc/82/78/90/1068827890.db2.gz HZQHPLANOUHXKH-UHFFFAOYSA-N 0 0 484.541 0.758 20 10 JCCDRN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C2=S=C(NC(=O)c3ccco3)C=C2C)c1 ZINC000591259741 1070653584 /nfs/dbraw/zinc/65/35/84/1070653584.db2.gz IUODEAPFKFOCEJ-UHFFFAOYSA-N 0 0 476.536 0.668 20 10 JCCDRN COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000599956746 1067735235 /nfs/dbraw/zinc/73/52/35/1067735235.db2.gz OPMWUMHVVNNVPR-UHFFFAOYSA-N 0 0 497.580 0.636 20 10 JCCDRN NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000603929297 1067715307 /nfs/dbraw/zinc/71/53/07/1067715307.db2.gz JNKSZELJYLLOCD-UHFFFAOYSA-N 0 0 484.541 0.758 20 10 JCCDRN CCOC(=O)C1=C(C)C(C(=O)NC)=S=C1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000612735327 1067895254 /nfs/dbraw/zinc/89/52/54/1067895254.db2.gz KRMWCJIEYYSSCP-UHFFFAOYSA-N 0 0 465.553 0.631 20 10 JCCDRN CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000642559746 1070599691 /nfs/dbraw/zinc/59/96/91/1070599691.db2.gz YLBCYHBBTAVULB-UHFFFAOYSA-N 0 0 488.547 0.764 20 10 JCCDRN O=S(=O)(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CCS(=O)(=O)CC1 ZINC000725827117 1070886677 /nfs/dbraw/zinc/88/66/77/1070886677.db2.gz MHLMVEVYACIMBH-UHFFFAOYSA-N 0 0 483.591 0.939 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)N3CCC(N(C)S(C)(=O)=O)CC3)CC2)cc1 ZINC000725863500 1070886980 /nfs/dbraw/zinc/88/69/80/1070886980.db2.gz BNAFMGJVALIBTB-UHFFFAOYSA-N 0 0 453.609 0.883 20 10 JCCDRN Cc1nc(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cn1C ZINC000725887434 1070888514 /nfs/dbraw/zinc/88/85/14/1070888514.db2.gz OEPLBUGBFCFGDD-UHFFFAOYSA-N 0 0 453.540 0.814 20 10 JCCDRN CN(C1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1)S(C)(=O)=O ZINC000726101454 1070926991 /nfs/dbraw/zinc/92/69/91/1070926991.db2.gz CMIOLWVVGRIZHN-KRWDZBQOSA-N 0 0 451.593 0.954 20 10 JCCDRN CN(C1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1)S(C)(=O)=O ZINC000726101455 1070927146 /nfs/dbraw/zinc/92/71/46/1070927146.db2.gz CMIOLWVVGRIZHN-QGZVFWFLSA-N 0 0 451.593 0.954 20 10 JCCDRN Cc1cc(C(=O)Cn2nc(C(N)=O)ccc2=O)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000726365864 1070956741 /nfs/dbraw/zinc/95/67/41/1070956741.db2.gz OZIHPSKHZQZAKO-UHFFFAOYSA-N 0 0 499.549 0.654 20 10 JCCDRN NS(=O)(=O)c1ccc(CNC(=S)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000726481359 1070966906 /nfs/dbraw/zinc/96/69/06/1070966906.db2.gz BGVDZHDDBMVFIQ-UHFFFAOYSA-N 0 0 468.626 0.733 20 10 JCCDRN Cn1cnc2c1c(=O)n(CC(=O)NC1CCN(c3ccc(OC(F)F)cc3)CC1)c(=O)n2C ZINC000726565545 1070972375 /nfs/dbraw/zinc/97/23/75/1070972375.db2.gz CLLZCFBBGPTNQE-UHFFFAOYSA-N 0 0 462.457 0.820 20 10 JCCDRN Cn1c2ncn(CC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)c2c(=O)n(C)c1=O ZINC000726566487 1070972262 /nfs/dbraw/zinc/97/22/62/1070972262.db2.gz PQUBGTDWGJPAGD-UHFFFAOYSA-N 0 0 462.457 0.820 20 10 JCCDRN Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cn1C ZINC000726641732 1070984374 /nfs/dbraw/zinc/98/43/74/1070984374.db2.gz OUKRTDKRLYLTDD-UHFFFAOYSA-N 0 0 497.549 0.232 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)cc2=O ZINC000726642211 1070982934 /nfs/dbraw/zinc/98/29/34/1070982934.db2.gz WNSXHVXVXLDCTE-UHFFFAOYSA-N 0 0 466.476 0.065 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)CNS(=O)(=O)c1ccc3c(c1)COC3)cc2=O ZINC000726669564 1070991387 /nfs/dbraw/zinc/99/13/87/1070991387.db2.gz HQWCOEIJSCMLCI-UHFFFAOYSA-N 0 0 476.467 0.664 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CC2)cc1 ZINC000726669748 1070993494 /nfs/dbraw/zinc/99/34/94/1070993494.db2.gz CLEUGGJBEAJJSA-UHFFFAOYSA-N 0 0 489.550 0.896 20 10 JCCDRN O=C(CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)N1CCN(c2ncccn2)CC1 ZINC000726706579 1070998302 /nfs/dbraw/zinc/99/83/02/1070998302.db2.gz NEAPCUHHDJJOKU-UHFFFAOYSA-N 0 0 471.537 0.990 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)cc2)C1 ZINC000726707210 1070998308 /nfs/dbraw/zinc/99/83/08/1070998308.db2.gz QPGDXFWTYXSZCD-FQEVSTJZSA-N 0 0 494.600 0.716 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)cc2)C1 ZINC000726707211 1070998159 /nfs/dbraw/zinc/99/81/59/1070998159.db2.gz QPGDXFWTYXSZCD-HXUWFJFHSA-N 0 0 494.600 0.716 20 10 JCCDRN O=C(CCNC(=O)NCc1ccc(N2CCOCC2)cc1)N1CCN(c2ncccn2)CC1 ZINC000726707976 1070998201 /nfs/dbraw/zinc/99/82/01/1070998201.db2.gz IXSAZXRWXIPVOC-UHFFFAOYSA-N 0 0 453.547 0.851 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000726709829 1070999084 /nfs/dbraw/zinc/99/90/84/1070999084.db2.gz RRGYPWDYUJLHJD-UHFFFAOYSA-N 0 0 496.616 0.645 20 10 JCCDRN COc1ccc(N2CCC(NC(=O)N3CCN(S(=O)(=O)N4CCN(C)CC4)CC3)CC2)cc1 ZINC000726714993 1070998820 /nfs/dbraw/zinc/99/88/20/1070998820.db2.gz FADQULTVIXDMKG-UHFFFAOYSA-N 0 0 480.635 0.483 20 10 JCCDRN COc1ccc(N2CCC(NC(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)CC2)cc1 ZINC000726715145 1070998916 /nfs/dbraw/zinc/99/89/16/1070998916.db2.gz JEBVMFMBUMIPMB-UHFFFAOYSA-N 0 0 459.547 0.377 20 10 JCCDRN COc1ccc(N2CCC(NC(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)CC2)cc1 ZINC000726715600 1070998966 /nfs/dbraw/zinc/99/89/66/1070998966.db2.gz SDKMWZZBERJGNU-UHFFFAOYSA-N 0 0 467.592 0.568 20 10 JCCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000726719577 1070999591 /nfs/dbraw/zinc/99/95/91/1070999591.db2.gz UAUUQNKMISMMAQ-UHFFFAOYSA-N 0 0 495.527 0.969 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(OC)c(-n4nnnc4C)c3)CC2)cc1 ZINC000726721280 1070999488 /nfs/dbraw/zinc/99/94/88/1070999488.db2.gz BRDMTUISHWSDLZ-UHFFFAOYSA-N 0 0 494.556 0.865 20 10 JCCDRN O=C(Cn1cnnn1)N1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000726722005 1070999653 /nfs/dbraw/zinc/99/96/53/1070999653.db2.gz LRBIKXLCJWUGCC-UHFFFAOYSA-N 0 0 464.477 0.797 20 10 JCCDRN COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1-n1nnnc1C ZINC000726722653 1070999616 /nfs/dbraw/zinc/99/96/16/1070999616.db2.gz IRERJSQUIFURID-KRWDZBQOSA-N 0 0 492.540 0.936 20 10 JCCDRN COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1-n1nnnc1C ZINC000726722657 1070999720 /nfs/dbraw/zinc/99/97/20/1070999720.db2.gz IRERJSQUIFURID-QGZVFWFLSA-N 0 0 492.540 0.936 20 10 JCCDRN COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)cc1 ZINC000726725757 1071000913 /nfs/dbraw/zinc/00/09/13/1071000913.db2.gz GIKKNJBOLJHSNU-UHFFFAOYSA-N 0 0 452.515 0.750 20 10 JCCDRN COc1ccc(N2CCC(NC(=O)C(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)cc1 ZINC000726725768 1071000954 /nfs/dbraw/zinc/00/09/54/1071000954.db2.gz GWVKPSRUVGAKRQ-UHFFFAOYSA-N 0 0 466.498 0.365 20 10 JCCDRN COc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC2)cc1 ZINC000726726920 1071001024 /nfs/dbraw/zinc/00/10/24/1071001024.db2.gz XMPIEEIAKUYZFG-UHFFFAOYSA-N 0 0 453.499 0.634 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)CCNS(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 ZINC000726770856 1071003406 /nfs/dbraw/zinc/00/34/06/1071003406.db2.gz JVBOUNXXOLIBPW-UHFFFAOYSA-N 0 0 464.592 0.344 20 10 JCCDRN O=C(CN1CCCNC(=O)C1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000726791339 1071004170 /nfs/dbraw/zinc/00/41/70/1071004170.db2.gz QGJZNGLDJNJTRI-CXUHLZMHSA-N 0 0 462.553 0.555 20 10 JCCDRN O=C(CN1CCCNC(=O)C1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000726791342 1071004052 /nfs/dbraw/zinc/00/40/52/1071004052.db2.gz QGJZNGLDJNJTRI-SXGWCWSVSA-N 0 0 462.553 0.555 20 10 JCCDRN O=C(COC(=O)CNC(=O)Cc1ccc(O)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000726824606 1071008021 /nfs/dbraw/zinc/00/80/21/1071008021.db2.gz UEHJXZRENNLLDY-UHFFFAOYSA-N 0 0 459.474 0.886 20 10 JCCDRN CS(=O)(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)ccc1F ZINC000726974776 1071013934 /nfs/dbraw/zinc/01/39/34/1071013934.db2.gz NSYNWLSHVQDGLN-UHFFFAOYSA-N 0 0 476.573 0.943 20 10 JCCDRN Cn1c2ccc(S(=O)(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cc2n(C)c1=O ZINC000726975235 1071014415 /nfs/dbraw/zinc/01/44/15/1071014415.db2.gz ZURRSSOGDAJCNT-UHFFFAOYSA-N 0 0 464.569 0.590 20 10 JCCDRN O=S(=O)(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000726975442 1071014056 /nfs/dbraw/zinc/01/40/56/1071014056.db2.gz AGORPGGGIOLDEA-UHFFFAOYSA-N 0 0 499.636 0.841 20 10 JCCDRN COC(=O)COc1ccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000726975501 1071013953 /nfs/dbraw/zinc/01/39/53/1071013953.db2.gz CPMPMNYLIUACJB-UHFFFAOYSA-N 0 0 468.553 0.952 20 10 JCCDRN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000726975844 1071014472 /nfs/dbraw/zinc/01/44/72/1071014472.db2.gz FODBAUBVLVKUMA-KRWDZBQOSA-N 0 0 459.590 0.531 20 10 JCCDRN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000726975845 1071014377 /nfs/dbraw/zinc/01/43/77/1071014377.db2.gz FODBAUBVLVKUMA-QGZVFWFLSA-N 0 0 459.590 0.531 20 10 JCCDRN CN1C(=O)c2ccc(S(=O)(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cc2C1=O ZINC000726975888 1071014304 /nfs/dbraw/zinc/01/43/04/1071014304.db2.gz GGJZZIMROAIECJ-UHFFFAOYSA-N 0 0 463.537 0.626 20 10 JCCDRN O=C(c1ccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1)N1CCOCC1 ZINC000726975903 1071014194 /nfs/dbraw/zinc/01/41/94/1071014194.db2.gz GKUQCWDUAAQSRI-UHFFFAOYSA-N 0 0 493.607 0.872 20 10 JCCDRN O=c1[nH]c2ccc(S(=O)(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cc2c(=O)[nH]1 ZINC000726975959 1071014507 /nfs/dbraw/zinc/01/45/07/1071014507.db2.gz HIRGWHLGBARUHY-UHFFFAOYSA-N 0 0 464.525 0.754 20 10 JCCDRN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000726975980 1071014235 /nfs/dbraw/zinc/01/42/35/1071014235.db2.gz HUALWMMHZKAUBJ-UHFFFAOYSA-N 0 0 487.625 0.650 20 10 JCCDRN CCOC(=O)C1CCN(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000726976146 1071014359 /nfs/dbraw/zinc/01/43/59/1071014359.db2.gz ITXADYFDQQTWIH-UHFFFAOYSA-N 0 0 459.590 0.531 20 10 JCCDRN CCOC(=O)N1CCN(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000726976355 1071014453 /nfs/dbraw/zinc/01/44/53/1071014453.db2.gz KCMYFSDRDYYTCX-UHFFFAOYSA-N 0 0 460.578 0.030 20 10 JCCDRN CNS(=O)(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000726976449 1071014488 /nfs/dbraw/zinc/01/44/88/1071014488.db2.gz LBNMAXDPLIYACZ-UHFFFAOYSA-N 0 0 473.598 0.308 20 10 JCCDRN NS(=O)(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000726976516 1071014549 /nfs/dbraw/zinc/01/45/49/1071014549.db2.gz MGLBIPODDWHLQX-UHFFFAOYSA-N 0 0 459.571 0.047 20 10 JCCDRN CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000726976519 1071014434 /nfs/dbraw/zinc/01/44/34/1071014434.db2.gz MIADZQZPSMJCCZ-UHFFFAOYSA-N 0 0 458.583 0.803 20 10 JCCDRN CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000726976552 1071014215 /nfs/dbraw/zinc/01/42/15/1071014215.db2.gz NLZHMYQBNJGQSR-UHFFFAOYSA-N 0 0 473.598 0.308 20 10 JCCDRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000726976554 1071014340 /nfs/dbraw/zinc/01/43/40/1071014340.db2.gz NMANUPGRGPWQTQ-UHFFFAOYSA-N 0 0 487.625 0.650 20 10 JCCDRN O=S(=O)(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000726976809 1071014395 /nfs/dbraw/zinc/01/43/95/1071014395.db2.gz PYXNAKQLXNLNHU-UHFFFAOYSA-N 0 0 499.636 0.841 20 10 JCCDRN COc1ccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1C(N)=O ZINC000726976826 1071014322 /nfs/dbraw/zinc/01/43/22/1071014322.db2.gz QONOLOOANFGYNX-UHFFFAOYSA-N 0 0 453.542 0.507 20 10 JCCDRN Cn1c2ccc(S(=O)(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cc2oc1=O ZINC000726976861 1071014870 /nfs/dbraw/zinc/01/48/70/1071014870.db2.gz SFOJGZYFCYQPJV-UHFFFAOYSA-N 0 0 451.526 0.845 20 10 JCCDRN CS(=O)(=O)c1ccccc1S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000726977016 1071014527 /nfs/dbraw/zinc/01/45/27/1071014527.db2.gz VVIIBBHVNJKYAX-UHFFFAOYSA-N 0 0 458.583 0.803 20 10 JCCDRN NS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000726977036 1071014741 /nfs/dbraw/zinc/01/47/41/1071014741.db2.gz WKNMDWNOMPOTES-UHFFFAOYSA-N 0 0 459.571 0.047 20 10 JCCDRN CS(=O)(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000726977039 1071015068 /nfs/dbraw/zinc/01/50/68/1071015068.db2.gz WLUVAJSQIUPOBU-UHFFFAOYSA-N 0 0 458.583 0.803 20 10 JCCDRN O=C1COc2ccc(S(=O)(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cc2N1 ZINC000726977075 1071014774 /nfs/dbraw/zinc/01/47/74/1071014774.db2.gz WYZALULEQOXXTL-UHFFFAOYSA-N 0 0 451.526 0.731 20 10 JCCDRN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000726977164 1071014270 /nfs/dbraw/zinc/01/42/70/1071014270.db2.gz XOPJOSBPVNSFDL-UHFFFAOYSA-N 0 0 496.563 0.973 20 10 JCCDRN O=C(c1cc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c[nH]1)N1CCCC1 ZINC000726977229 1071014254 /nfs/dbraw/zinc/01/42/54/1071014254.db2.gz ZGJUDDZGCIDBAO-UHFFFAOYSA-N 0 0 466.585 0.964 20 10 JCCDRN Cc1cc(C(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000726983759 1071014760 /nfs/dbraw/zinc/01/47/60/1071014760.db2.gz AOBGDJKUAIVNAT-IBGZPJMESA-N 0 0 494.639 0.729 20 10 JCCDRN Cc1cc(C(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000726983762 1071014615 /nfs/dbraw/zinc/01/46/15/1071014615.db2.gz AOBGDJKUAIVNAT-LJQANCHMSA-N 0 0 494.639 0.729 20 10 JCCDRN Cc1ccc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c(O)c1O ZINC000727005997 1071016267 /nfs/dbraw/zinc/01/62/67/1071016267.db2.gz ZBKUSNPZXIACGO-UHFFFAOYSA-N 0 0 464.496 0.900 20 10 JCCDRN CS(=O)(=O)NCCNC(=S)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000727080335 1069623890 /nfs/dbraw/zinc/62/38/90/1069623890.db2.gz OINHRXLQUINGDF-UHFFFAOYSA-N 0 0 467.596 0.456 20 10 JCCDRN O=C(CN1CCN(CCO)CC1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000727105377 1069632680 /nfs/dbraw/zinc/63/26/80/1069632680.db2.gz YYCCGSVRQCPDES-LDADJPATSA-N 0 0 478.596 0.343 20 10 JCCDRN O=C(CN1CCN(CCO)CC1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000727105380 1069632767 /nfs/dbraw/zinc/63/27/67/1069632767.db2.gz YYCCGSVRQCPDES-PDGQHHTCSA-N 0 0 478.596 0.343 20 10 JCCDRN COc1cc(/C=C2\SC(=S)N(CC(N)=O)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000727176735 1069638301 /nfs/dbraw/zinc/63/83/01/1069638301.db2.gz ZGJMFCCSYOGHDN-DHDCSXOGSA-N 0 0 451.526 0.619 20 10 JCCDRN COc1cc(/C=C2/SC(=S)N(CC(N)=O)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000727176736 1069638477 /nfs/dbraw/zinc/63/84/77/1069638477.db2.gz ZGJMFCCSYOGHDN-OQLLNIDSSA-N 0 0 451.526 0.619 20 10 JCCDRN CN(C)C(=O)CN(C)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000727239922 1069652261 /nfs/dbraw/zinc/65/22/61/1069652261.db2.gz HJQDFLFDLDEBCS-CXUHLZMHSA-N 0 0 464.569 0.753 20 10 JCCDRN CN(C)C(=O)CN(C)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000727239923 1069652407 /nfs/dbraw/zinc/65/24/07/1069652407.db2.gz HJQDFLFDLDEBCS-SXGWCWSVSA-N 0 0 464.569 0.753 20 10 JCCDRN CN(CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)CC(=O)NC1CC1 ZINC000727241166 1069653137 /nfs/dbraw/zinc/65/31/37/1069653137.db2.gz FIQBFICKVOUDQW-MFOYZWKCSA-N 0 0 476.580 0.943 20 10 JCCDRN CN(CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)CC(=O)NC1CC1 ZINC000727241167 1069653101 /nfs/dbraw/zinc/65/31/01/1069653101.db2.gz FIQBFICKVOUDQW-RQZCQDPDSA-N 0 0 476.580 0.943 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4cccc(C(N)=O)c4)C3=O)CC2)cc1 ZINC000727656287 1069675936 /nfs/dbraw/zinc/67/59/36/1069675936.db2.gz OPHJWENXDZKKDO-DEOSSOPVSA-N 0 0 465.510 0.910 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@](C)(c4cccc(C(N)=O)c4)C3=O)CC2)cc1 ZINC000727656288 1069675918 /nfs/dbraw/zinc/67/59/18/1069675918.db2.gz OPHJWENXDZKKDO-XMMPIXPASA-N 0 0 465.510 0.910 20 10 JCCDRN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000727860870 1069696422 /nfs/dbraw/zinc/69/64/22/1069696422.db2.gz PIEQYERABBUURJ-UHFFFAOYSA-N 0 0 468.557 0.634 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(F)c(-n4nnnc4C)c3)CC2)cc1 ZINC000727948289 1069704091 /nfs/dbraw/zinc/70/40/91/1069704091.db2.gz YYXULXNZYSQAQX-UHFFFAOYSA-N 0 0 482.520 0.995 20 10 JCCDRN CN(CCS(C)(=O)=O)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000728055044 1069710491 /nfs/dbraw/zinc/71/04/91/1069710491.db2.gz XDBKUCOFSHJESS-MHWRWJLKSA-N 0 0 485.609 0.709 20 10 JCCDRN CN(CCS(C)(=O)=O)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000728055046 1069710416 /nfs/dbraw/zinc/71/04/16/1069710416.db2.gz XDBKUCOFSHJESS-YBEGLDIGSA-N 0 0 485.609 0.709 20 10 JCCDRN CS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c(F)c1 ZINC000728300410 1067754776 /nfs/dbraw/zinc/75/47/76/1067754776.db2.gz SULVYABNWHREKH-UHFFFAOYSA-N 0 0 491.588 0.911 20 10 JCCDRN NS(=O)(=O)c1ccc(CC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000728372394 1067780216 /nfs/dbraw/zinc/78/02/16/1067780216.db2.gz PELYRYCAJRWQTR-UHFFFAOYSA-N 0 0 465.503 0.712 20 10 JCCDRN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000728468144 1067808256 /nfs/dbraw/zinc/80/82/56/1067808256.db2.gz HCVRKJJZDKRNBW-NRFANRHFSA-N 0 0 483.548 0.686 20 10 JCCDRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000728468145 1067808249 /nfs/dbraw/zinc/80/82/49/1067808249.db2.gz HCVRKJJZDKRNBW-OAQYLSRUSA-N 0 0 483.548 0.686 20 10 JCCDRN Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3ccc(NS(C)(=O)=O)c(Cl)c3)cnc21 ZINC000728504086 1067824045 /nfs/dbraw/zinc/82/40/45/1067824045.db2.gz JMNBWGJTVKFJPW-UHFFFAOYSA-N 0 0 459.893 0.860 20 10 JCCDRN COC(=O)[C@H]1CN(Cc2c(O)ccc3ccc(O)c(CN4CCO[C@@H](C(=O)OC)C4)c32)CCO1 ZINC000728564295 1067846690 /nfs/dbraw/zinc/84/66/90/1067846690.db2.gz HRPUTXIFTCEXAO-NHCUHLMSSA-N 0 0 474.510 0.999 20 10 JCCDRN COC(=O)[C@H]1CN(Cc2c(O)ccc3ccc(O)c(CN4CCO[C@H](C(=O)OC)C4)c32)CCO1 ZINC000728564298 1067846646 /nfs/dbraw/zinc/84/66/46/1067846646.db2.gz HRPUTXIFTCEXAO-OYRHEFFESA-N 0 0 474.510 0.999 20 10 JCCDRN COC(=O)[C@@H]1CN(Cc2c(O)ccc3ccc(O)c(CN4CCO[C@H](C(=O)OC)C4)c32)CCO1 ZINC000728564300 1067846733 /nfs/dbraw/zinc/84/67/33/1067846733.db2.gz HRPUTXIFTCEXAO-SFTDATJTSA-N 0 0 474.510 0.999 20 10 JCCDRN COC(=O)[C@H]1CN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CCO1 ZINC000728574770 1067851584 /nfs/dbraw/zinc/85/15/84/1067851584.db2.gz GNDLTHBQOAZCTN-BRMCRPDNSA-N 0 0 493.563 0.607 20 10 JCCDRN COC(=O)[C@H]1CN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CCO1 ZINC000728574772 1067851570 /nfs/dbraw/zinc/85/15/70/1067851570.db2.gz GNDLTHBQOAZCTN-KGTJKXQDSA-N 0 0 493.563 0.607 20 10 JCCDRN COC(=O)[C@@H]1CN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CCO1 ZINC000728574774 1067851833 /nfs/dbraw/zinc/85/18/33/1067851833.db2.gz GNDLTHBQOAZCTN-SLHXSTLSSA-N 0 0 493.563 0.607 20 10 JCCDRN COC(=O)[C@@H]1CN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CCO1 ZINC000728574776 1067851874 /nfs/dbraw/zinc/85/18/74/1067851874.db2.gz GNDLTHBQOAZCTN-UWNXQOIWSA-N 0 0 493.563 0.607 20 10 JCCDRN COc1ccc(N2CCN(CCCNS(=O)(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C)CC2)cc1 ZINC000728578601 1067853080 /nfs/dbraw/zinc/85/30/80/1067853080.db2.gz LIWUXWYEKRIYGG-UHFFFAOYSA-N 0 0 488.570 0.533 20 10 JCCDRN Cn1c2ncc(S(=O)(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2c(=O)[nH]c1=O ZINC000728584072 1067855271 /nfs/dbraw/zinc/85/52/71/1067855271.db2.gz SQHRBHUILAESTD-AWEZNQCLSA-N 0 0 472.527 0.214 20 10 JCCDRN Cn1c2ncc(S(=O)(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2c(=O)[nH]c1=O ZINC000728584073 1067855355 /nfs/dbraw/zinc/85/53/55/1067855355.db2.gz SQHRBHUILAESTD-CQSZACIVSA-N 0 0 472.527 0.214 20 10 JCCDRN O=S1(=O)CCN(Cc2c(O)ccc3ccc(O)c(CN4CCS(=O)(=O)CC4)c32)CC1 ZINC000728711117 1067950472 /nfs/dbraw/zinc/95/04/72/1067950472.db2.gz CIJAHMSULHUFSE-UHFFFAOYSA-N 0 0 454.570 0.712 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(C(N)=O)cc4)C3=O)CC2)cc1 ZINC000728794186 1068006363 /nfs/dbraw/zinc/00/63/63/1068006363.db2.gz IOZSFWYBWUASGK-DEOSSOPVSA-N 0 0 465.510 0.910 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(C(N)=O)cc4)C3=O)CC2)cc1 ZINC000728794187 1068007106 /nfs/dbraw/zinc/00/71/06/1068007106.db2.gz IOZSFWYBWUASGK-XMMPIXPASA-N 0 0 465.510 0.910 20 10 JCCDRN C[C@@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000728845017 1068048249 /nfs/dbraw/zinc/04/82/49/1068048249.db2.gz QAWQILXOHMTAIZ-NEPJUHHUSA-N 0 0 456.476 0.893 20 10 JCCDRN C[C@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000728845020 1068048233 /nfs/dbraw/zinc/04/82/33/1068048233.db2.gz QAWQILXOHMTAIZ-NWDGAFQWSA-N 0 0 456.476 0.893 20 10 JCCDRN C[C@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000728845024 1068048155 /nfs/dbraw/zinc/04/81/55/1068048155.db2.gz QAWQILXOHMTAIZ-RYUDHWBXSA-N 0 0 456.476 0.893 20 10 JCCDRN C[C@@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000728845029 1068048033 /nfs/dbraw/zinc/04/80/33/1068048033.db2.gz QAWQILXOHMTAIZ-VXGBXAGGSA-N 0 0 456.476 0.893 20 10 JCCDRN Cc1cc(C(=O)CN2CCC(C(=O)NCCO)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000728916055 1068119486 /nfs/dbraw/zinc/11/94/86/1068119486.db2.gz QSQPZGYNOLZEQF-UHFFFAOYSA-N 0 0 462.572 0.745 20 10 JCCDRN COCCCNC(=O)[C@H](C)N1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000728932816 1068133298 /nfs/dbraw/zinc/13/32/98/1068133298.db2.gz RBROMWYRTBVMOE-FQEVSTJZSA-N 0 0 461.607 0.503 20 10 JCCDRN COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000728932818 1068133109 /nfs/dbraw/zinc/13/31/09/1068133109.db2.gz RBROMWYRTBVMOE-HXUWFJFHSA-N 0 0 461.607 0.503 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)N3CCN([C@@H](C)C(=O)NC4CC4)CC3)CC2)cc1 ZINC000728950895 1068194588 /nfs/dbraw/zinc/19/45/88/1068194588.db2.gz MVGMLLAODRSRGF-IBGZPJMESA-N 0 0 458.607 0.812 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)N3CCN([C@H](C)C(=O)NC4CC4)CC3)CC2)cc1 ZINC000728950896 1068194473 /nfs/dbraw/zinc/19/44/73/1068194473.db2.gz MVGMLLAODRSRGF-LJQANCHMSA-N 0 0 458.607 0.812 20 10 JCCDRN O=C(COC(=O)C1(O)CCOCC1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000729024733 1068201933 /nfs/dbraw/zinc/20/19/33/1068201933.db2.gz SNNJYWFCOSHQPE-MHWRWJLKSA-N 0 0 494.547 0.817 20 10 JCCDRN O=C(COC(=O)C1(O)CCOCC1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000729024735 1068201856 /nfs/dbraw/zinc/20/18/56/1068201856.db2.gz SNNJYWFCOSHQPE-YBEGLDIGSA-N 0 0 494.547 0.817 20 10 JCCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 ZINC000729064948 1068208061 /nfs/dbraw/zinc/20/80/61/1068208061.db2.gz WSKXWJKHCPQKAT-CYBMUJFWSA-N 0 0 476.511 0.337 20 10 JCCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 ZINC000729064949 1068208148 /nfs/dbraw/zinc/20/81/48/1068208148.db2.gz WSKXWJKHCPQKAT-ZDUSSCGKSA-N 0 0 476.511 0.337 20 10 JCCDRN CS(=O)(=O)CCNC(=S)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000729154990 1068214798 /nfs/dbraw/zinc/21/47/98/1068214798.db2.gz BKOCIVPXHGFKHJ-UHFFFAOYSA-N 0 0 452.581 0.951 20 10 JCCDRN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000729225031 1068227658 /nfs/dbraw/zinc/22/76/58/1068227658.db2.gz CFUWQPYEWMTPHI-UHFFFAOYSA-N 0 0 461.544 0.869 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)cc1 ZINC000729227325 1068226492 /nfs/dbraw/zinc/22/64/92/1068226492.db2.gz BOJQBIQMTOUYHX-UHFFFAOYSA-N 0 0 474.606 0.003 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)cc1 ZINC000729347641 1068246997 /nfs/dbraw/zinc/24/69/97/1068246997.db2.gz PNPGANQWIYXDFS-FQEVSTJZSA-N 0 0 459.591 0.114 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)cc1 ZINC000729347642 1068247059 /nfs/dbraw/zinc/24/70/59/1068247059.db2.gz PNPGANQWIYXDFS-HXUWFJFHSA-N 0 0 459.591 0.114 20 10 JCCDRN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000729594065 1069892844 /nfs/dbraw/zinc/89/28/44/1069892844.db2.gz JORGBUBQIOWIBL-UHFFFAOYSA-N 0 0 459.572 0.743 20 10 JCCDRN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000729596589 1069899891 /nfs/dbraw/zinc/89/98/91/1069899891.db2.gz KRBJBFHAZAMMCG-UHFFFAOYSA-N 0 0 475.521 0.290 20 10 JCCDRN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000729597039 1069898830 /nfs/dbraw/zinc/89/88/30/1069898830.db2.gz ONUPMQKIWPJQBV-UHFFFAOYSA-N 0 0 461.494 0.165 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)cc2F)C[C@H](C)O1 ZINC000729597444 1069898925 /nfs/dbraw/zinc/89/89/25/1069898925.db2.gz PFGYBBUYMPSAOW-CALCHBBNSA-N 0 0 489.548 0.942 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)cc2F)C[C@@H](C)O1 ZINC000729597446 1069898800 /nfs/dbraw/zinc/89/88/00/1069898800.db2.gz PFGYBBUYMPSAOW-IAGOWNOFSA-N 0 0 489.548 0.942 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)cc2F)C[C@H](C)O1 ZINC000729597449 1069898994 /nfs/dbraw/zinc/89/89/94/1069898994.db2.gz PFGYBBUYMPSAOW-IRXDYDNUSA-N 0 0 489.548 0.942 20 10 JCCDRN C[C@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000729602589 1069911042 /nfs/dbraw/zinc/91/10/42/1069911042.db2.gz NNKXQIHZXOKFOV-KRWDZBQOSA-N 0 0 457.531 0.587 20 10 JCCDRN C[C@@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000729602591 1069911074 /nfs/dbraw/zinc/91/10/74/1069911074.db2.gz NNKXQIHZXOKFOV-QGZVFWFLSA-N 0 0 457.531 0.587 20 10 JCCDRN COc1ccc(N2CCC(NC(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)CC2)cc1 ZINC000729610199 1069932417 /nfs/dbraw/zinc/93/24/17/1069932417.db2.gz FGMXQWWBUXKKSZ-UHFFFAOYSA-N 0 0 457.531 0.667 20 10 JCCDRN CNC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000729785309 1070008735 /nfs/dbraw/zinc/00/87/35/1070008735.db2.gz XKFABQSGDHMQAW-KRWDZBQOSA-N 0 0 467.526 0.768 20 10 JCCDRN CNC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000729785314 1070008751 /nfs/dbraw/zinc/00/87/51/1070008751.db2.gz XKFABQSGDHMQAW-QGZVFWFLSA-N 0 0 467.526 0.768 20 10 JCCDRN CNC(=O)COc1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000729787745 1070007534 /nfs/dbraw/zinc/00/75/34/1070007534.db2.gz MRFFRWIARMDTHX-UHFFFAOYSA-N 0 0 469.542 0.697 20 10 JCCDRN COc1cccc(CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1O ZINC000729861708 1070071895 /nfs/dbraw/zinc/07/18/95/1070071895.db2.gz WKHVAISHCNVBDW-INIZCTEOSA-N 0 0 456.542 0.799 20 10 JCCDRN COc1cccc(CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1O ZINC000729861709 1070071746 /nfs/dbraw/zinc/07/17/46/1070071746.db2.gz WKHVAISHCNVBDW-MRXNPFEDSA-N 0 0 456.542 0.799 20 10 JCCDRN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000730528922 1069756559 /nfs/dbraw/zinc/75/65/59/1069756559.db2.gz CESRQCRHRQIXOU-KRWDZBQOSA-N 0 0 463.647 0.599 20 10 JCCDRN CCS(=O)(=O)N[C@H](CCSC)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000730528935 1069756518 /nfs/dbraw/zinc/75/65/18/1069756518.db2.gz CESRQCRHRQIXOU-QGZVFWFLSA-N 0 0 463.647 0.599 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)NCCS(=O)(=O)N3CCSCC3)CC2)cc1 ZINC000730580332 1069758547 /nfs/dbraw/zinc/75/85/47/1069758547.db2.gz HIUBFYVQSQFDHF-UHFFFAOYSA-N 0 0 471.649 0.495 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCS(=O)(=O)N3CCSCC3)cc2)C1 ZINC000730583090 1069758650 /nfs/dbraw/zinc/75/86/50/1069758650.db2.gz IPHWGWGMAACLFR-KRWDZBQOSA-N 0 0 469.633 0.566 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCS(=O)(=O)N3CCSCC3)cc2)C1 ZINC000730583093 1069758414 /nfs/dbraw/zinc/75/84/14/1069758414.db2.gz IPHWGWGMAACLFR-QGZVFWFLSA-N 0 0 469.633 0.566 20 10 JCCDRN O=C(NCCS(=O)(=O)N1CCSCC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000730584371 1069759505 /nfs/dbraw/zinc/75/95/05/1069759505.db2.gz VEVOPILWGUROIH-UHFFFAOYSA-N 0 0 460.597 0.965 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)NCCC(=O)N3CCN(C(C)=O)CC3)CC2)cc1 ZINC000730824754 1069780202 /nfs/dbraw/zinc/78/02/02/1069780202.db2.gz LORKWDLGCJMSMA-UHFFFAOYSA-N 0 0 460.579 0.197 20 10 JCCDRN CC(=O)N1CCN(C(=O)CCNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000730826911 1069780081 /nfs/dbraw/zinc/78/00/81/1069780081.db2.gz DCDRFUHJQPRRKI-IBGZPJMESA-N 0 0 458.563 0.268 20 10 JCCDRN CC(=O)N1CCN(C(=O)CCNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000730826913 1069780094 /nfs/dbraw/zinc/78/00/94/1069780094.db2.gz DCDRFUHJQPRRKI-LJQANCHMSA-N 0 0 458.563 0.268 20 10 JCCDRN CCOC(=O)c1c(CN2CCOCC2)c(C(=O)N(C)C)sc1NC=C1C(=O)NC(=S)NC1=O ZINC000730970955 1069787747 /nfs/dbraw/zinc/78/77/47/1069787747.db2.gz ISRCMCIPQJKBGU-UHFFFAOYSA-N 0 0 495.583 0.286 20 10 JCCDRN CCOC(=O)c1c2c(sc1NC=C1C(=O)NC(=S)N(CCOC)C1=O)CS(=O)(=O)CC2 ZINC000730971005 1069787589 /nfs/dbraw/zinc/78/75/89/1069787589.db2.gz QHDGEPZRACWNEE-DHZHZOJOSA-N 0 0 487.581 0.581 20 10 JCCDRN CCOC(=O)c1c2c(sc1NC=C1C(=O)NC(=S)N(CCOC)C1=O)CS(=O)(=O)CC2 ZINC000730971006 1069787768 /nfs/dbraw/zinc/78/77/68/1069787768.db2.gz QHDGEPZRACWNEE-FLIBITNWSA-N 0 0 487.581 0.581 20 10 JCCDRN COCCN1C(=O)C(=CNc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C(=O)NC1=S ZINC000730973057 1069787788 /nfs/dbraw/zinc/78/77/88/1069787788.db2.gz NHFVQVNDJVODQX-WQLSENKSSA-N 0 0 466.463 0.713 20 10 JCCDRN COCCN1C(=O)C(=CNc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C(=O)NC1=S ZINC000730973111 1069788327 /nfs/dbraw/zinc/78/83/27/1069788327.db2.gz NHFVQVNDJVODQX-XYOKQWHBSA-N 0 0 466.463 0.713 20 10 JCCDRN CCN(CC)S(=O)(=O)c1ccc(CNC=C2C(=O)NC(=S)N(CCOC)C2=O)cc1 ZINC000730975009 1069788420 /nfs/dbraw/zinc/78/84/20/1069788420.db2.gz UTIMPWGYSXLRDU-DTQAZKPQSA-N 0 0 454.574 0.580 20 10 JCCDRN CCN(CC)S(=O)(=O)c1ccc(CNC=C2C(=O)NC(=S)N(CCOC)C2=O)cc1 ZINC000730975010 1069788405 /nfs/dbraw/zinc/78/84/05/1069788405.db2.gz UTIMPWGYSXLRDU-SSZFMOIBSA-N 0 0 454.574 0.580 20 10 JCCDRN COC(=O)CNS(=O)(=O)c1ccc(NC=C2C(=O)NC(=S)N(CC(C)C)C2=O)cc1 ZINC000730984018 1069788361 /nfs/dbraw/zinc/78/83/61/1069788361.db2.gz OPSOOMZIPBPFOF-RIYZIHGNSA-N 0 0 454.530 0.333 20 10 JCCDRN COC(=O)CNS(=O)(=O)c1ccc(NC=C2C(=O)NC(=S)N(CC(C)C)C2=O)cc1 ZINC000730984019 1069788394 /nfs/dbraw/zinc/78/83/94/1069788394.db2.gz OPSOOMZIPBPFOF-ZSOIEALJSA-N 0 0 454.530 0.333 20 10 JCCDRN CCN1C(=O)C(=CNc2ccc(S(=O)(=O)NCC(=O)OC)cc2)C(=O)N(CC)C1=S ZINC000730984288 1069788662 /nfs/dbraw/zinc/78/86/62/1069788662.db2.gz ZXHFIPUQPVQFMM-UHFFFAOYSA-N 0 0 454.530 0.429 20 10 JCCDRN CCOc1ccc(NC=C2C(=O)NC(=S)N(CCOC)C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000730988988 1069789385 /nfs/dbraw/zinc/78/93/85/1069789385.db2.gz KNJQXINIMIVDMU-FYWRMAATSA-N 0 0 498.583 0.292 20 10 JCCDRN CCOc1ccc(NC=C2C(=O)NC(=S)N(CCOC)C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000730988989 1069789421 /nfs/dbraw/zinc/78/94/21/1069789421.db2.gz KNJQXINIMIVDMU-SQFISAMPSA-N 0 0 498.583 0.292 20 10 JCCDRN CCOc1ccc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000730990604 1069789170 /nfs/dbraw/zinc/78/91/70/1069789170.db2.gz VXYWYFHTCXAXFT-UHFFFAOYSA-N 0 0 452.489 0.452 20 10 JCCDRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000730997256 1069789099 /nfs/dbraw/zinc/78/90/99/1069789099.db2.gz NWZCRWCHDKTOSZ-FOWTUZBSSA-N 0 0 495.627 0.826 20 10 JCCDRN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)C1 ZINC000730998530 1069789125 /nfs/dbraw/zinc/78/91/25/1069789125.db2.gz FDJUZFZPERHAES-CYBMUJFWSA-N 0 0 464.500 0.607 20 10 JCCDRN COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)C1 ZINC000730998531 1069789298 /nfs/dbraw/zinc/78/92/98/1069789298.db2.gz FDJUZFZPERHAES-ZDUSSCGKSA-N 0 0 464.500 0.607 20 10 JCCDRN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC=C3C(=O)NC(=S)NC3=O)cc2)C1 ZINC000730999553 1069789206 /nfs/dbraw/zinc/78/92/06/1069789206.db2.gz YADCUXXDIBZNQP-LLVKDONJSA-N 0 0 452.514 0.087 20 10 JCCDRN COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC=C3C(=O)NC(=S)NC3=O)cc2)C1 ZINC000730999554 1069789139 /nfs/dbraw/zinc/78/91/39/1069789139.db2.gz YADCUXXDIBZNQP-NSHDSACASA-N 0 0 452.514 0.087 20 10 JCCDRN O=C(NCCCN1C(=O)CNC1=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000731119310 1069794869 /nfs/dbraw/zinc/79/48/69/1069794869.db2.gz IMBPUESPIZRPNQ-UHFFFAOYSA-N 0 0 470.509 0.683 20 10 JCCDRN CN(C)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000731355876 1069831315 /nfs/dbraw/zinc/83/13/15/1069831315.db2.gz LTRVCAJLNLNCRJ-UHFFFAOYSA-N 0 0 487.582 0.706 20 10 JCCDRN CCN(CC)c1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1F ZINC000731363645 1069825519 /nfs/dbraw/zinc/82/55/19/1069825519.db2.gz KLSJLVPQPUFKNB-UHFFFAOYSA-N 0 0 470.615 0.991 20 10 JCCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1F ZINC000731409014 1069834958 /nfs/dbraw/zinc/83/49/58/1069834958.db2.gz IDKBYKXDVWAARL-UHFFFAOYSA-N 0 0 456.478 0.872 20 10 JCCDRN CN(C)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 ZINC000741804768 1069864429 /nfs/dbraw/zinc/86/44/29/1069864429.db2.gz BFCMSEQNNFAGSL-UHFFFAOYSA-N 0 0 472.571 0.957 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)cc1 ZINC000742910345 1069869801 /nfs/dbraw/zinc/86/98/01/1069869801.db2.gz GFJIWRALAUXSKL-GOSISDBHSA-N 0 0 477.587 0.099 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)cc1 ZINC000742910355 1069869278 /nfs/dbraw/zinc/86/92/78/1069869278.db2.gz GFJIWRALAUXSKL-SFHVURJKSA-N 0 0 477.587 0.099 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)c3cc4c(n3C)n(C)c(=O)n(C)c4=O)CC2)cc1 ZINC000742916486 1069869124 /nfs/dbraw/zinc/86/91/24/1069869124.db2.gz JLXNEVZZLWHHFO-UHFFFAOYSA-N 0 0 454.531 0.136 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)Cc3cc(F)c(OC)c(S(N)(=O)=O)c3)CC2)cc1 ZINC000742919024 1069869180 /nfs/dbraw/zinc/86/91/80/1069869180.db2.gz ABAHGSZSJMGOAG-UHFFFAOYSA-N 0 0 480.562 0.971 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C3CCN(c4ccc5nnnn5n4)CC3)CC2)cc1 ZINC000742919637 1069869071 /nfs/dbraw/zinc/86/90/71/1069869071.db2.gz BAZBWXFLLLPJDP-UHFFFAOYSA-N 0 0 465.562 0.683 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)CC2)cc1 ZINC000742920342 1069868921 /nfs/dbraw/zinc/86/89/21/1069868921.db2.gz OGYBWYPILBZDLV-UHFFFAOYSA-N 0 0 478.571 0.861 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)c3cc(S(=O)(=O)N4CCOCC4)cn3C)CC2)cc1 ZINC000742920610 1069869332 /nfs/dbraw/zinc/86/93/32/1069869332.db2.gz LCIVRVJLEWSVPS-UHFFFAOYSA-N 0 0 491.614 0.607 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)cc1 ZINC000742920648 1069869571 /nfs/dbraw/zinc/86/95/71/1069869571.db2.gz LPMFVYIIVNBKSI-UHFFFAOYSA-N 0 0 458.540 0.778 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)cc1 ZINC000742920823 1069868977 /nfs/dbraw/zinc/86/89/77/1069868977.db2.gz NTSPSFDBDPFJHY-UHFFFAOYSA-N 0 0 452.515 0.193 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)cc1 ZINC000742921604 1069869026 /nfs/dbraw/zinc/86/90/26/1069869026.db2.gz VDQURPFXIGTWHB-UHFFFAOYSA-N 0 0 452.515 0.193 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)CC2)cc1 ZINC000742921716 1069869223 /nfs/dbraw/zinc/86/92/23/1069869223.db2.gz XUWCTLUGGQWESS-UHFFFAOYSA-N 0 0 489.554 0.189 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)Cn3cc(Br)c(=O)[nH]c3=O)CC2)cc1 ZINC000742927625 1069868861 /nfs/dbraw/zinc/86/88/61/1069868861.db2.gz WEQWHRIIHMEODA-UHFFFAOYSA-N 0 0 466.336 0.658 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)CC2)cc1 ZINC000742939125 1069869758 /nfs/dbraw/zinc/86/97/58/1069869758.db2.gz ADNZXGZGZOBWJQ-GOSISDBHSA-N 0 0 453.609 0.788 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)CC2)cc1 ZINC000742939126 1069869474 /nfs/dbraw/zinc/86/94/74/1069869474.db2.gz ADNZXGZGZOBWJQ-SFHVURJKSA-N 0 0 453.609 0.788 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)cc1 ZINC000742939448 1069869417 /nfs/dbraw/zinc/86/94/17/1069869417.db2.gz FSWRYLDZUIKZHS-UHFFFAOYSA-N 0 0 457.579 0.901 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)CC2)cc1 ZINC000742939557 1069869521 /nfs/dbraw/zinc/86/95/21/1069869521.db2.gz IIPMDYIRBYOIBN-UHFFFAOYSA-N 0 0 467.574 0.843 20 10 JCCDRN CCS(=O)(=O)NC1CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000742939991 1069869721 /nfs/dbraw/zinc/86/97/21/1069869721.db2.gz OIAOYFXTCJUWMU-UHFFFAOYSA-N 0 0 453.609 0.931 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)CC2)cc1 ZINC000742940613 1069869678 /nfs/dbraw/zinc/86/96/78/1069869678.db2.gz VXEXPPVJIKCHAF-UHFFFAOYSA-N 0 0 472.590 0.293 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)CC2)cc1 ZINC000742940828 1069869625 /nfs/dbraw/zinc/86/96/25/1069869625.db2.gz ZEIHPBIDPOJDSI-UHFFFAOYSA-N 0 0 460.579 0.196 20 10 JCCDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000742947434 1069870109 /nfs/dbraw/zinc/87/01/09/1069870109.db2.gz FLTOOBDBWSXLPL-UHFFFAOYSA-N 0 0 482.651 0.731 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)cc1 ZINC000743294524 1069874573 /nfs/dbraw/zinc/87/45/73/1069874573.db2.gz MWALXBGLBVNYAG-UHFFFAOYSA-N 0 0 467.530 0.585 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)N3CCN(C(=O)CN4CCOCC4)CC3)CC2)cc1 ZINC000743357676 1069874518 /nfs/dbraw/zinc/87/45/18/1069874518.db2.gz BBBXBHZAVAHBFM-UHFFFAOYSA-N 0 0 474.606 0.003 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)N3CCN(CC(=O)N4CCCC4)CC3)CC2)cc1 ZINC000743363176 1069875262 /nfs/dbraw/zinc/87/52/62/1069875262.db2.gz MXOFKTFFNBLEQR-UHFFFAOYSA-N 0 0 458.607 0.767 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)CC2)cc1 ZINC000743363280 1069875001 /nfs/dbraw/zinc/87/50/01/1069875001.db2.gz QKWYOYAHXFIQHH-UHFFFAOYSA-N 0 0 494.596 0.889 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)N3CCCC[C@H]3CNS(C)(=O)=O)CC2)cc1 ZINC000743363917 1069874796 /nfs/dbraw/zinc/87/47/96/1069874796.db2.gz XLGPWXQULRKTBL-IBGZPJMESA-N 0 0 453.609 0.931 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)CC2)cc1 ZINC000743363920 1069874849 /nfs/dbraw/zinc/87/48/49/1069874849.db2.gz XLGPWXQULRKTBL-LJQANCHMSA-N 0 0 453.609 0.931 20 10 JCCDRN CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000743431954 1069876988 /nfs/dbraw/zinc/87/69/88/1069876988.db2.gz ANAHOSPAMDHTCZ-UHFFFAOYSA-N 0 0 469.542 0.940 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(-n4nccn4)nc3)CC2)cc1 ZINC000743431972 1069876911 /nfs/dbraw/zinc/87/69/11/1069876911.db2.gz BDMIQKIJBDXCQZ-UHFFFAOYSA-N 0 0 450.503 0.548 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(-n4cnnn4)c(C)c3)CC2)cc1 ZINC000743431986 1069876868 /nfs/dbraw/zinc/87/68/68/1069876868.db2.gz BYJBTPDPAQTBOP-UHFFFAOYSA-N 0 0 464.530 0.856 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)CC2)cc1 ZINC000743431996 1069876475 /nfs/dbraw/zinc/87/64/75/1069876475.db2.gz CPOHDEQAUTVJPC-UHFFFAOYSA-N 0 0 480.569 0.508 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(-n4cnnn4)c3)CC2)cc1 ZINC000743431998 1069876549 /nfs/dbraw/zinc/87/65/49/1069876549.db2.gz CUQISBFMXXPLJQ-UHFFFAOYSA-N 0 0 450.503 0.548 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)CC2)cc1 ZINC000743432006 1069876724 /nfs/dbraw/zinc/87/67/24/1069876724.db2.gz CZVXKMMMFUVEPE-UHFFFAOYSA-N 0 0 453.499 0.903 20 10 JCCDRN CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)ccc1C ZINC000743432027 1069877055 /nfs/dbraw/zinc/87/70/55/1069877055.db2.gz FHFHPBCYYJKHBE-UHFFFAOYSA-N 0 0 489.598 0.789 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C)c(-n4cnnn4)c3)CC2)cc1 ZINC000743432040 1070022932 /nfs/dbraw/zinc/02/29/32/1070022932.db2.gz FUXPNNALMWKLNT-UHFFFAOYSA-N 0 0 464.530 0.856 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccccc3S(C)(=O)=O)CC2)cc1 ZINC000743432128 1069876852 /nfs/dbraw/zinc/87/68/52/1069876852.db2.gz GLEMFNCZCGQFKG-UHFFFAOYSA-N 0 0 460.556 0.976 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)cc1 ZINC000743432179 1069876759 /nfs/dbraw/zinc/87/67/59/1069876759.db2.gz HWJXGDYUDLWRAY-UHFFFAOYSA-N 0 0 450.503 0.548 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(S(C)(=O)=O)nc3)CC2)cc1 ZINC000743432232 1069876687 /nfs/dbraw/zinc/87/66/87/1069876687.db2.gz KCKHQLGHPCMGOH-UHFFFAOYSA-N 0 0 461.544 0.371 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)CC2)cc1 ZINC000743432392 1069879285 /nfs/dbraw/zinc/87/92/85/1069879285.db2.gz LGXXZMVNIJGHMT-UHFFFAOYSA-N 0 0 465.510 0.798 20 10 JCCDRN COC(=O)[C@H]1CN(C(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c2ccccc2O1 ZINC000743432396 1069879503 /nfs/dbraw/zinc/87/95/03/1069879503.db2.gz LMJUAXOYEUGPLY-JOCHJYFZSA-N 0 0 482.537 0.901 20 10 JCCDRN COC(=O)[C@@H]1CN(C(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c2ccccc2O1 ZINC000743432398 1069879363 /nfs/dbraw/zinc/87/93/63/1069879363.db2.gz LMJUAXOYEUGPLY-QFIPXVFZSA-N 0 0 482.537 0.901 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(-n4nnnc4C)c3)CC2)cc1 ZINC000743432430 1069878363 /nfs/dbraw/zinc/87/83/63/1069878363.db2.gz MEHNKMCPFPGZBB-UHFFFAOYSA-N 0 0 464.530 0.856 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(OCC(N)=O)c3)CC2)cc1 ZINC000743432435 1069878226 /nfs/dbraw/zinc/87/82/26/1069878226.db2.gz MHTBAAWCZWYONC-UHFFFAOYSA-N 0 0 455.515 0.436 20 10 JCCDRN CNC(=O)[C@H]1CN(C(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c2ccccc2O1 ZINC000743432453 1069879084 /nfs/dbraw/zinc/87/90/84/1069879084.db2.gz MYHVVYMFUZHTEQ-JOCHJYFZSA-N 0 0 481.553 0.474 20 10 JCCDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c2ccccc2O1 ZINC000743432457 1069879259 /nfs/dbraw/zinc/87/92/59/1069879259.db2.gz MYHVVYMFUZHTEQ-QFIPXVFZSA-N 0 0 481.553 0.474 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000743432522 1069878981 /nfs/dbraw/zinc/87/89/81/1069878981.db2.gz OIRAXBOZXMXEDF-UHFFFAOYSA-N 0 0 460.556 0.976 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccnc3N3CCOCC3)CC2)cc1 ZINC000743432529 1069879320 /nfs/dbraw/zinc/87/93/20/1069879320.db2.gz OPMBDZQTOLQWJY-UHFFFAOYSA-N 0 0 468.558 0.804 20 10 JCCDRN CNC(=O)Cc1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000743432531 1069879416 /nfs/dbraw/zinc/87/94/16/1069879416.db2.gz OUKWSMADTIPWDV-UHFFFAOYSA-N 0 0 453.543 0.861 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(S(C)(=O)=O)c3)CC2)cc1 ZINC000743432545 1069879546 /nfs/dbraw/zinc/87/95/46/1069879546.db2.gz PWRIUAPYRWBYOA-UHFFFAOYSA-N 0 0 460.556 0.976 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(-n4cnnn4)c3C)CC2)cc1 ZINC000743432757 1069877570 /nfs/dbraw/zinc/87/75/70/1069877570.db2.gz QIBLIYJEJLULAW-UHFFFAOYSA-N 0 0 464.530 0.856 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(N4C(=O)CN(C)C4=O)c3)CC2)cc1 ZINC000743432784 1069877813 /nfs/dbraw/zinc/87/78/13/1069877813.db2.gz RJYKDEQSPZEWAA-UHFFFAOYSA-N 0 0 494.552 0.971 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000743433043 1069877410 /nfs/dbraw/zinc/87/74/10/1069877410.db2.gz VLHVIBADBMWBOY-UHFFFAOYSA-N 0 0 453.499 0.903 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)cc1 ZINC000743433127 1069877973 /nfs/dbraw/zinc/87/79/73/1069877973.db2.gz WZNPXQXRPANARW-UHFFFAOYSA-N 0 0 455.515 0.436 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(-n4cncn4)nc3)CC2)cc1 ZINC000743433217 1069877673 /nfs/dbraw/zinc/87/76/73/1069877673.db2.gz ZUFKPUUFVUGRNV-UHFFFAOYSA-N 0 0 450.503 0.548 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CC2)cc1 ZINC000743442541 1069878412 /nfs/dbraw/zinc/87/84/12/1069878412.db2.gz LDDXGKJICMCMEM-UHFFFAOYSA-N 0 0 489.598 0.822 20 10 JCCDRN CN(C)c1ccc(CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000744382776 1069887571 /nfs/dbraw/zinc/88/75/71/1069887571.db2.gz JTSILHWRNOWJFL-GOSISDBHSA-N 0 0 476.555 0.753 20 10 JCCDRN CN(C)c1ccc(CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000744382780 1069887406 /nfs/dbraw/zinc/88/74/06/1069887406.db2.gz JTSILHWRNOWJFL-SFHVURJKSA-N 0 0 476.555 0.753 20 10 JCCDRN NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000745242562 1069901331 /nfs/dbraw/zinc/90/13/31/1069901331.db2.gz MYWPCIYCCNFAQG-UHFFFAOYSA-N 0 0 457.505 0.844 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3ccccc3NC(=O)Cn3cnnn3)CC2)cc1 ZINC000745503576 1069906444 /nfs/dbraw/zinc/90/64/44/1069906444.db2.gz QSWSPBQYNWVGRL-UHFFFAOYSA-N 0 0 479.497 0.826 20 10 JCCDRN Cn1c2[nH]c(CCC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)nc2c(=O)[nH]c1=O ZINC000746235715 1069915103 /nfs/dbraw/zinc/91/51/03/1069915103.db2.gz FDUFHDWNRXQOOB-AWEZNQCLSA-N 0 0 453.503 0.313 20 10 JCCDRN Cn1c2[nH]c(CCC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)nc2c(=O)[nH]c1=O ZINC000746235717 1069914949 /nfs/dbraw/zinc/91/49/49/1069914949.db2.gz FDUFHDWNRXQOOB-CQSZACIVSA-N 0 0 453.503 0.313 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)CN(C)C3=NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000746266779 1069917468 /nfs/dbraw/zinc/91/74/68/1069917468.db2.gz RMYCLQQJUDTZDC-UHFFFAOYSA-N 0 0 486.550 0.968 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)cc2)C1 ZINC000746399285 1069921591 /nfs/dbraw/zinc/92/15/91/1069921591.db2.gz RFVCNCMNNNPGSL-PMACEKPBSA-N 0 0 457.575 0.185 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)cc2)C1 ZINC000746399288 1069921672 /nfs/dbraw/zinc/92/16/72/1069921672.db2.gz RFVCNCMNNNPGSL-UXHICEINSA-N 0 0 457.575 0.185 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)cc2)C1 ZINC000746399291 1069921859 /nfs/dbraw/zinc/92/18/59/1069921859.db2.gz RFVCNCMNNNPGSL-VQTJNVASSA-N 0 0 457.575 0.185 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)cc2)C1 ZINC000746399294 1069921625 /nfs/dbraw/zinc/92/16/25/1069921625.db2.gz RFVCNCMNNNPGSL-WOJBJXKFSA-N 0 0 457.575 0.185 20 10 JCCDRN CS(=O)(=O)N1CCN(CCNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000746513670 1070034496 /nfs/dbraw/zinc/03/44/96/1070034496.db2.gz NAMXFKIZDXCCLQ-UHFFFAOYSA-N 0 0 493.552 0.918 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCN3CCN(S(C)(=O)=O)CC3)cc2F)C[C@H](C)O1 ZINC000746513932 1070034456 /nfs/dbraw/zinc/03/44/56/1070034456.db2.gz SVLYYTRGDDSNOH-CALCHBBNSA-N 0 0 471.599 0.816 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCN3CCN(S(C)(=O)=O)CC3)cc2F)C[C@@H](C)O1 ZINC000746513934 1070034424 /nfs/dbraw/zinc/03/44/24/1070034424.db2.gz SVLYYTRGDDSNOH-IAGOWNOFSA-N 0 0 471.599 0.816 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)NCCN3CCN(S(C)(=O)=O)CC3)cc2F)C[C@H](C)O1 ZINC000746513936 1070035178 /nfs/dbraw/zinc/03/51/78/1070035178.db2.gz SVLYYTRGDDSNOH-IRXDYDNUSA-N 0 0 471.599 0.816 20 10 JCCDRN NS(=O)(=O)Cc1ccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000746628546 1070048497 /nfs/dbraw/zinc/04/84/97/1070048497.db2.gz PURKIOXNGYBZCS-UHFFFAOYSA-N 0 0 465.503 0.924 20 10 JCCDRN CN(C)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1F ZINC000746975816 1070069208 /nfs/dbraw/zinc/06/92/08/1070069208.db2.gz QMVRAJYNSBKVLR-UHFFFAOYSA-N 0 0 499.590 0.755 20 10 JCCDRN CN(C)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1F ZINC000746978054 1070068897 /nfs/dbraw/zinc/06/88/97/1070068897.db2.gz GPOYVQNTFDNPCN-UHFFFAOYSA-N 0 0 453.496 0.800 20 10 JCCDRN CN1CCCc2cc(CNC(=O)N3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)ccc21 ZINC000746983012 1070069250 /nfs/dbraw/zinc/06/92/50/1070069250.db2.gz LRINZRKRGGPQNO-UHFFFAOYSA-N 0 0 461.544 0.977 20 10 JCCDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)CC2)CC1 ZINC000746983013 1070068877 /nfs/dbraw/zinc/06/88/77/1070068877.db2.gz LUQZMWCQVBERDG-UHFFFAOYSA-N 0 0 450.609 0.388 20 10 JCCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1F ZINC000747012275 1070071199 /nfs/dbraw/zinc/07/11/99/1070071199.db2.gz PCBJLAUQSQTCHQ-UHFFFAOYSA-N 0 0 477.518 0.267 20 10 JCCDRN CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)ccc21 ZINC000747017844 1070071252 /nfs/dbraw/zinc/07/12/52/1070071252.db2.gz OHNHFDQIYVARKF-UHFFFAOYSA-N 0 0 485.566 0.444 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1c(F)ccc(S(N)(=O)=O)c1F)cc2=O ZINC000747271101 1070136748 /nfs/dbraw/zinc/13/67/48/1070136748.db2.gz XOPLLTRZLLPILX-UHFFFAOYSA-N 0 0 456.383 0.894 20 10 JCCDRN CNS(=O)(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000747458477 1070173588 /nfs/dbraw/zinc/17/35/88/1070173588.db2.gz QICAPEATEROICY-INIZCTEOSA-N 0 0 466.585 0.775 20 10 JCCDRN CNS(=O)(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000747458478 1070173439 /nfs/dbraw/zinc/17/34/39/1070173439.db2.gz QICAPEATEROICY-MRXNPFEDSA-N 0 0 466.585 0.775 20 10 JCCDRN Cn1c2ccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2n(C)c1=O ZINC000747556835 1070190375 /nfs/dbraw/zinc/19/03/75/1070190375.db2.gz KVEOSLWTIQWUHN-INIZCTEOSA-N 0 0 464.526 0.834 20 10 JCCDRN Cn1c2ccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2n(C)c1=O ZINC000747557377 1070190534 /nfs/dbraw/zinc/19/05/34/1070190534.db2.gz KVEOSLWTIQWUHN-MRXNPFEDSA-N 0 0 464.526 0.834 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)CC2)cc1 ZINC000747563656 1070192231 /nfs/dbraw/zinc/19/22/31/1070192231.db2.gz XXFADDLXFKHVKF-UHFFFAOYSA-N 0 0 466.542 0.763 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)CCO)cc3)CC2)cc1 ZINC000747576003 1070198253 /nfs/dbraw/zinc/19/82/53/1070198253.db2.gz NJZNPJKSDOOJKZ-UHFFFAOYSA-N 0 0 462.524 0.967 20 10 JCCDRN O=C(COC(=O)c1ccc(S(=O)(=O)CCO)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000747576522 1070199664 /nfs/dbraw/zinc/19/96/64/1070199664.db2.gz SQVIBQLWARIUFP-UHFFFAOYSA-N 0 0 480.514 0.902 20 10 JCCDRN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000747673123 1070207678 /nfs/dbraw/zinc/20/76/78/1070207678.db2.gz YNADVKPYKWFIPA-INIZCTEOSA-N 0 0 496.541 0.950 20 10 JCCDRN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000747673125 1070207397 /nfs/dbraw/zinc/20/73/97/1070207397.db2.gz YNADVKPYKWFIPA-MRXNPFEDSA-N 0 0 496.541 0.950 20 10 JCCDRN COc1cc(C)cc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1O ZINC000748051291 1070283936 /nfs/dbraw/zinc/28/39/36/1070283936.db2.gz OFOAYHRPZQMLLN-UHFFFAOYSA-N 0 0 455.558 0.863 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)NCCS(=O)(=O)N3CCOCC3)cc2F)C[C@H](C)O1 ZINC000748093536 1067699714 /nfs/dbraw/zinc/69/97/14/1067699714.db2.gz XXZCMIIITWBWJX-HOTGVXAUSA-N 0 0 458.556 0.901 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCS(=O)(=O)N3CCOCC3)cc2F)C[C@@H](C)O1 ZINC000748093539 1067699704 /nfs/dbraw/zinc/69/97/04/1067699704.db2.gz XXZCMIIITWBWJX-HZPDHXFCSA-N 0 0 458.556 0.901 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCS(=O)(=O)N3CCOCC3)cc2F)C[C@H](C)O1 ZINC000748093543 1067699660 /nfs/dbraw/zinc/69/96/60/1067699660.db2.gz XXZCMIIITWBWJX-IYBDPMFKSA-N 0 0 458.556 0.901 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cc(S(N)(=O)=O)cn3)cc2F)C[C@H](C)O1 ZINC000748421845 1070797591 /nfs/dbraw/zinc/79/75/91/1070797591.db2.gz JSCKOPYOLPPFRU-KBPBESRZSA-N 0 0 483.522 0.143 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cc(S(N)(=O)=O)cn3)cc2F)C[C@H](C)O1 ZINC000748421851 1070797748 /nfs/dbraw/zinc/79/77/48/1070797748.db2.gz JSCKOPYOLPPFRU-OKILXGFUSA-N 0 0 483.522 0.143 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cc(S(N)(=O)=O)cn3)cc2F)C[C@@H](C)O1 ZINC000748421853 1070797654 /nfs/dbraw/zinc/79/76/54/1070797654.db2.gz JSCKOPYOLPPFRU-ZIAGYGMSSA-N 0 0 483.522 0.143 20 10 JCCDRN C[C@@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000748426794 1070798280 /nfs/dbraw/zinc/79/82/80/1070798280.db2.gz LDPOZTFIFYGAAA-GFCCVEGCSA-N 0 0 482.474 0.876 20 10 JCCDRN C[C@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000748426797 1070798308 /nfs/dbraw/zinc/79/83/08/1070798308.db2.gz LDPOZTFIFYGAAA-LBPRGKRZSA-N 0 0 482.474 0.876 20 10 JCCDRN C[C@@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000748427920 1070798896 /nfs/dbraw/zinc/79/88/96/1070798896.db2.gz QTCHZWZJQKUWSG-GFCCVEGCSA-N 0 0 482.474 0.876 20 10 JCCDRN C[C@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000748427924 1070799169 /nfs/dbraw/zinc/79/91/69/1070799169.db2.gz QTCHZWZJQKUWSG-LBPRGKRZSA-N 0 0 482.474 0.876 20 10 JCCDRN NS(=O)(=O)c1cnn(CC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000748428732 1070799653 /nfs/dbraw/zinc/79/96/53/1070799653.db2.gz TXYVLGNXFINQAM-UHFFFAOYSA-N 0 0 468.447 0.488 20 10 JCCDRN NS(=O)(=O)c1cnn(CC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000748428736 1070799695 /nfs/dbraw/zinc/79/96/95/1070799695.db2.gz UAAMSGNSDRNPOO-UHFFFAOYSA-N 0 0 468.447 0.488 20 10 JCCDRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCc1ccccc1O ZINC000748485508 1070804219 /nfs/dbraw/zinc/80/42/19/1070804219.db2.gz HZUVZRXXDGAXTM-UHFFFAOYSA-N 0 0 462.528 0.592 20 10 JCCDRN CCOC(Cn1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nn1)OCC ZINC000748560807 1070808249 /nfs/dbraw/zinc/80/82/49/1070808249.db2.gz KTWCKYXKHZKMIX-UHFFFAOYSA-N 0 0 451.549 0.842 20 10 JCCDRN COCCOCC(=O)NC1CCC(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000748712029 1070814750 /nfs/dbraw/zinc/81/47/50/1070814750.db2.gz CHHBOJMKZWTXKK-UHFFFAOYSA-N 0 0 481.615 0.876 20 10 JCCDRN NS(=O)(=O)Cc1cccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000748971143 1070833588 /nfs/dbraw/zinc/83/35/88/1070833588.db2.gz UERHDOAUTXUVDY-UHFFFAOYSA-N 0 0 465.503 0.924 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)CCc3nc4c([nH]3)n(C)c(=O)[nH]c4=O)CC2)cc1 ZINC000749172734 1070845900 /nfs/dbraw/zinc/84/59/00/1070845900.db2.gz DYTHMPFQOVXWEG-UHFFFAOYSA-N 0 0 455.519 0.242 20 10 JCCDRN O=C(COC(=O)c1ccccc1NC(=O)Cn1cnnn1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000749277604 1071022038 /nfs/dbraw/zinc/02/20/38/1071022038.db2.gz GMKMHRQBPJFJDC-UHFFFAOYSA-N 0 0 497.487 0.761 20 10 JCCDRN NS(=O)(=O)c1cnn(CCC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000749325840 1071066768 /nfs/dbraw/zinc/06/67/68/1071066768.db2.gz DQBWAEGKLGQFGD-UHFFFAOYSA-N 0 0 482.474 0.878 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CCn3cc(S(N)(=O)=O)cn3)cc2F)C[C@H](C)O1 ZINC000749326097 1071066895 /nfs/dbraw/zinc/06/68/95/1071066895.db2.gz UFAUPQCYYOHNGX-GASCZTMLSA-N 0 0 497.549 0.533 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CCn3cc(S(N)(=O)=O)cn3)cc2F)C[C@H](C)O1 ZINC000749326103 1071066973 /nfs/dbraw/zinc/06/69/73/1071066973.db2.gz UFAUPQCYYOHNGX-GJZGRUSLSA-N 0 0 497.549 0.533 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CCn3cc(S(N)(=O)=O)cn3)cc2F)C[C@@H](C)O1 ZINC000749326106 1071066826 /nfs/dbraw/zinc/06/68/26/1071066826.db2.gz UFAUPQCYYOHNGX-HUUCEWRRSA-N 0 0 497.549 0.533 20 10 JCCDRN NS(=O)(=O)c1cnn(CCC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000749326583 1071067424 /nfs/dbraw/zinc/06/74/24/1071067424.db2.gz ITZNLSPTVWCJFF-UHFFFAOYSA-N 0 0 482.474 0.878 20 10 JCCDRN CS(=O)(=O)N1CCN(CCNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000749354746 1071069601 /nfs/dbraw/zinc/06/96/01/1071069601.db2.gz WJUGYOITGIWZDN-UHFFFAOYSA-N 0 0 457.572 0.163 20 10 JCCDRN CS(=O)(=O)N1CCN(CCNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000749354809 1071069713 /nfs/dbraw/zinc/06/97/13/1071069713.db2.gz XNLZDXXICHMTNI-UHFFFAOYSA-N 0 0 453.609 0.272 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4cccc(-n5cnnn5)c4)C3=O)CC2)cc1 ZINC000749673132 1071082727 /nfs/dbraw/zinc/08/27/27/1071082727.db2.gz OYIPQEBRPCDJMG-DEOSSOPVSA-N 0 0 490.524 0.787 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@](C)(c4cccc(-n5cnnn5)c4)C3=O)CC2)cc1 ZINC000749673137 1071082914 /nfs/dbraw/zinc/08/29/14/1071082914.db2.gz OYIPQEBRPCDJMG-XMMPIXPASA-N 0 0 490.524 0.787 20 10 JCCDRN NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000749732764 1071086388 /nfs/dbraw/zinc/08/63/88/1071086388.db2.gz MDOODCAEPKVZDT-UHFFFAOYSA-N 0 0 453.542 0.264 20 10 JCCDRN NS(=O)(=O)c1cnn(CCC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 ZINC000749736447 1071086293 /nfs/dbraw/zinc/08/62/93/1071086293.db2.gz INDSHWPOYHOSRI-UHFFFAOYSA-N 0 0 488.549 0.493 20 10 JCCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000749865121 1071090683 /nfs/dbraw/zinc/09/06/83/1071090683.db2.gz ORQZKPXCICWIIW-UHFFFAOYSA-N 0 0 490.582 0.935 20 10 JCCDRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CC(=O)NCc2ccc(N(C)C)cc2)c(=O)c1=O ZINC000749914548 1071091282 /nfs/dbraw/zinc/09/12/82/1071091282.db2.gz VWIVIQCGTCKNJM-UHFFFAOYSA-N 0 0 487.582 0.816 20 10 JCCDRN CCS(=O)(=O)N1CCC(C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000749969339 1071093947 /nfs/dbraw/zinc/09/39/47/1071093947.db2.gz IGAYBKJDRAAADL-UHFFFAOYSA-N 0 0 453.561 0.949 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)CNS(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC000750010011 1071097834 /nfs/dbraw/zinc/09/78/34/1071097834.db2.gz PDJKBMKUPXGVCG-UHFFFAOYSA-N 0 0 466.516 0.470 20 10 JCCDRN NS(=O)(=O)c1ccc(OCC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000750173534 1071106259 /nfs/dbraw/zinc/10/62/59/1071106259.db2.gz FSKLCHBRXWODMF-UHFFFAOYSA-N 0 0 481.502 0.548 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)COc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000750175430 1071107151 /nfs/dbraw/zinc/10/71/51/1071107151.db2.gz XZGBEGKOEHOEIJ-UHFFFAOYSA-N 0 0 463.512 0.613 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CC2)cc1 ZINC000750523399 1071132923 /nfs/dbraw/zinc/13/29/23/1071132923.db2.gz HWRRXXKBFWWQBB-UHFFFAOYSA-N 0 0 492.532 0.959 20 10 JCCDRN Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cn1C ZINC000750617790 1071137184 /nfs/dbraw/zinc/13/71/84/1071137184.db2.gz ABHJBHGMJYTLGE-UHFFFAOYSA-N 0 0 496.501 0.964 20 10 JCCDRN Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1C ZINC000750618696 1071138055 /nfs/dbraw/zinc/13/80/55/1071138055.db2.gz HTALYRIUWPFKRH-UHFFFAOYSA-N 0 0 496.501 0.964 20 10 JCCDRN Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cn1C ZINC000750622683 1071139802 /nfs/dbraw/zinc/13/98/02/1071139802.db2.gz ZHDXNHLYFKMEBK-UHFFFAOYSA-N 0 0 451.549 0.665 20 10 JCCDRN Cc1nc(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cn1C ZINC000750669637 1071145452 /nfs/dbraw/zinc/14/54/52/1071145452.db2.gz CTONJNZELPDYOL-KRWDZBQOSA-N 0 0 462.576 0.415 20 10 JCCDRN Cc1nc(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cn1C ZINC000750669648 1071145759 /nfs/dbraw/zinc/14/57/59/1071145759.db2.gz CTONJNZELPDYOL-QGZVFWFLSA-N 0 0 462.576 0.415 20 10 JCCDRN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(O)c(O)c3)CC2)cc1 ZINC000750793649 1071146438 /nfs/dbraw/zinc/14/64/38/1071146438.db2.gz AGSWOXQLDUOFJU-UHFFFAOYSA-N 0 0 483.568 0.505 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(-n5cnnn5)cc4)C3=O)CC2)cc1 ZINC000750968994 1071156078 /nfs/dbraw/zinc/15/60/78/1071156078.db2.gz RJXHWLBRKBDPKS-DEOSSOPVSA-N 0 0 490.524 0.787 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(-n5cnnn5)cc4)C3=O)CC2)cc1 ZINC000750968998 1071156072 /nfs/dbraw/zinc/15/60/72/1071156072.db2.gz RJXHWLBRKBDPKS-XMMPIXPASA-N 0 0 490.524 0.787 20 10 JCCDRN CN(CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)[C@H]1CCS(=O)(=O)C1 ZINC000753565141 1071175419 /nfs/dbraw/zinc/17/54/19/1071175419.db2.gz WLMPIXBZJRMUTQ-DUPVFGOHSA-N 0 0 497.620 0.852 20 10 JCCDRN CN(CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000753565145 1071175304 /nfs/dbraw/zinc/17/53/04/1071175304.db2.gz WLMPIXBZJRMUTQ-IREQLNLFSA-N 0 0 497.620 0.852 20 10 JCCDRN CN(CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000753565147 1071175254 /nfs/dbraw/zinc/17/52/54/1071175254.db2.gz WLMPIXBZJRMUTQ-KDVQLTRESA-N 0 0 497.620 0.852 20 10 JCCDRN CN(CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)[C@H]1CCS(=O)(=O)C1 ZINC000753565149 1071175295 /nfs/dbraw/zinc/17/52/95/1071175295.db2.gz WLMPIXBZJRMUTQ-VEJKBTLKSA-N 0 0 497.620 0.852 20 10 JCCDRN O=C(CN(CCO)CCO)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000754254334 1071193259 /nfs/dbraw/zinc/19/32/59/1071193259.db2.gz KSFCMKXCPTXFMN-MHWRWJLKSA-N 0 0 453.542 0.019 20 10 JCCDRN O=C(CN(CCO)CCO)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000754254344 1071193049 /nfs/dbraw/zinc/19/30/49/1071193049.db2.gz KSFCMKXCPTXFMN-YBEGLDIGSA-N 0 0 453.542 0.019 20 10 JCCDRN Cc1cc(C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000754804006 1071194865 /nfs/dbraw/zinc/19/48/65/1071194865.db2.gz VKVBBERAAYEJAE-UHFFFAOYSA-N 0 0 493.476 0.996 20 10 JCCDRN COc1ccc(N2CCN(CCCNC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)CC2)cc1 ZINC000758164594 1071208117 /nfs/dbraw/zinc/20/81/17/1071208117.db2.gz LEIBASDKCHFFEI-UHFFFAOYSA-N 0 0 459.572 0.821 20 10 JCCDRN COCCOC(=O)C1=C(C)C(C(N)=O)=S=C1NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000759669642 1071211014 /nfs/dbraw/zinc/21/10/14/1071211014.db2.gz JHDHPIDIJVTINH-UHFFFAOYSA-N 0 0 495.579 0.169 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)CC2)cc1 ZINC000762392041 1067964338 /nfs/dbraw/zinc/96/43/38/1067964338.db2.gz NHXOAKNLQYHBNL-UHFFFAOYSA-N 0 0 460.512 0.385 20 10 JCCDRN Cc1cc(C(=O)COC(=O)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000762752838 1068014773 /nfs/dbraw/zinc/01/47/73/1068014773.db2.gz VZFJDTREXVKVNJ-AWEZNQCLSA-N 0 0 454.526 0.902 20 10 JCCDRN Cc1cc(C(=O)COC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000762752841 1068014840 /nfs/dbraw/zinc/01/48/40/1068014840.db2.gz VZFJDTREXVKVNJ-CQSZACIVSA-N 0 0 454.526 0.902 20 10 JCCDRN Cc1cc(C(=O)CN2C[C@H](O)C[C@H]2CO)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000771832921 1070034982 /nfs/dbraw/zinc/03/49/82/1070034982.db2.gz AOPNNOHFNCRBST-VQTJNVASSA-N 0 0 477.583 0.725 20 10 JCCDRN O=C(CN1C[C@H](O)C[C@H]1CO)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000771834011 1070035123 /nfs/dbraw/zinc/03/51/23/1070035123.db2.gz VFXOVLUYWRWELP-BSIVJZCKSA-N 0 0 465.553 0.160 20 10 JCCDRN O=C(CN1C[C@H](O)C[C@H]1CO)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000771834017 1070034893 /nfs/dbraw/zinc/03/48/93/1070034893.db2.gz VFXOVLUYWRWELP-LRXXQSHTSA-N 0 0 465.553 0.160 20 10 JCCDRN CC(C)N(CC(N)=O)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000777652343 1070448716 /nfs/dbraw/zinc/44/87/16/1070448716.db2.gz LEQJNNVJICNZOB-LZYBPNLTSA-N 0 0 464.569 0.928 20 10 JCCDRN CC(C)N(CC(N)=O)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000777652352 1070449742 /nfs/dbraw/zinc/44/97/42/1070449742.db2.gz LEQJNNVJICNZOB-PXNMLYILSA-N 0 0 464.569 0.928 20 10 JCCDRN COC(=O)CN(C)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000781210361 1071212059 /nfs/dbraw/zinc/21/20/59/1071212059.db2.gz CFXCXYYSUVBWGJ-NVNXTCNLSA-N 0 0 451.526 0.838 20 10 JCCDRN COC(=O)CN(C)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000781210362 1071212024 /nfs/dbraw/zinc/21/20/24/1071212024.db2.gz CFXCXYYSUVBWGJ-OVCLIPMQSA-N 0 0 451.526 0.838 20 10 JCCDRN O=CN1CCCN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CC1 ZINC000781563322 1071212842 /nfs/dbraw/zinc/21/28/42/1071212842.db2.gz LNBHVXBIPSOSAH-WOJGMQOQSA-N 0 0 476.580 0.897 20 10 JCCDRN O=CN1CCCN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1 ZINC000781563323 1071212942 /nfs/dbraw/zinc/21/29/42/1071212942.db2.gz LNBHVXBIPSOSAH-WQRHYEAKSA-N 0 0 476.580 0.897 20 10 JCCDRN CNC(=O)CN(C)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000782582109 1067873453 /nfs/dbraw/zinc/87/34/53/1067873453.db2.gz DDJWFTNWNBDEKX-NVNXTCNLSA-N 0 0 450.542 0.411 20 10 JCCDRN CNC(=O)CN(C)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000782582125 1071215025 /nfs/dbraw/zinc/21/50/25/1071215025.db2.gz DDJWFTNWNBDEKX-OVCLIPMQSA-N 0 0 450.542 0.411 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3cc(S(N)(=O)=O)ccc3OC)CC2)cc1 ZINC000784148887 1071216824 /nfs/dbraw/zinc/21/68/24/1071216824.db2.gz CKXFRKNCEDVTRZ-UHFFFAOYSA-N 0 0 463.512 0.857 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(OC)c(S(N)(=O)=O)c3)CC2)cc1 ZINC000787784212 1070053521 /nfs/dbraw/zinc/05/35/21/1070053521.db2.gz SWYRNLNLWDYMSZ-UHFFFAOYSA-N 0 0 463.512 0.857 20 10 JCCDRN CC(=O)NCC(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C ZINC000798008632 1071221203 /nfs/dbraw/zinc/22/12/03/1071221203.db2.gz OWQPLPKQFNMVNI-UHFFFAOYSA-N 0 0 477.539 0.977 20 10 JCCDRN COCCN1CCN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CC1 ZINC000798224288 1071224279 /nfs/dbraw/zinc/22/42/79/1071224279.db2.gz CLMHTWHUDFEDRE-CPNJWEJPSA-N 0 0 492.623 0.997 20 10 JCCDRN COCCN1CCN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1 ZINC000798224289 1071224722 /nfs/dbraw/zinc/22/47/22/1071224722.db2.gz CLMHTWHUDFEDRE-UYRXBGFRSA-N 0 0 492.623 0.997 20 10 JCCDRN COCCCN(C(=O)C=Cc1cn(C)c(=O)n(C)c1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000809739419 1070195722 /nfs/dbraw/zinc/19/57/22/1070195722.db2.gz JZLQXSUTDIPRPR-KHPPLWFESA-N 0 0 496.524 0.060 20 10 JCCDRN COCCCN(C(=O)C=Cc1cn(C)c(=O)n(C)c1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000809739420 1070195670 /nfs/dbraw/zinc/19/56/70/1070195670.db2.gz JZLQXSUTDIPRPR-ZHACJKMWSA-N 0 0 496.524 0.060 20 10 JCCDRN CCCCn1c(N)c(N(CCC(C)C)C(=O)C=Cc2cn(C)c(=O)n(C)c2=O)c(=O)[nH]c1=O ZINC000809743667 1070195869 /nfs/dbraw/zinc/19/58/69/1070195869.db2.gz ZISDROYZKININJ-CMDGGOBGSA-N 0 0 460.535 0.821 20 10 JCCDRN CCCCn1c(N)c(N(CCC(C)C)C(=O)C=Cc2cn(C)c(=O)n(C)c2=O)c(=O)[nH]c1=O ZINC000809743668 1070195877 /nfs/dbraw/zinc/19/58/77/1070195877.db2.gz ZISDROYZKININJ-HJWRWDBZSA-N 0 0 460.535 0.821 20 10 JCCDRN Cn1cc(/C=C\C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c(=O)n(C)c1=O ZINC000809860288 1070198211 /nfs/dbraw/zinc/19/82/11/1070198211.db2.gz KMZNDXLFYZUJEU-TWGQIWQCSA-N 0 0 458.540 0.861 20 10 JCCDRN O=C(CN1CCNC(=O)CC1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000811923951 1070221334 /nfs/dbraw/zinc/22/13/34/1070221334.db2.gz CUNIWKDHMPHYQT-MHWRWJLKSA-N 0 0 462.553 0.555 20 10 JCCDRN O=C(CN1CCNC(=O)CC1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000811923952 1070222398 /nfs/dbraw/zinc/22/23/98/1070222398.db2.gz CUNIWKDHMPHYQT-YBEGLDIGSA-N 0 0 462.553 0.555 20 10 JCCDRN CCN(CC)S(=O)(=O)c1ccc(NNC=C2C(=O)N(CC)C(=S)N(CC)C2=O)nc1 ZINC000814318813 1070252807 /nfs/dbraw/zinc/25/28/07/1070252807.db2.gz IKCMXBPKBRYNOU-UHFFFAOYSA-N 0 0 454.578 0.908 20 10 JCCDRN CC(C)CN1C(=O)C(=CNNc2ccc(S(=O)(=O)N3CCCCC3)cn2)C(=O)NC1=S ZINC000814319096 1070252697 /nfs/dbraw/zinc/25/26/97/1070252697.db2.gz OLBKKLSMZBINJM-RVDMUPIBSA-N 0 0 466.589 0.956 20 10 JCCDRN CCN(CC)S(=O)(=O)c1ccc(NNC=C2C(=O)NC(=S)N(CC(C)C)C2=O)nc1 ZINC000814319179 1070252508 /nfs/dbraw/zinc/25/25/08/1070252508.db2.gz RRKBWGSCKKCCJU-GXDHUFHOSA-N 0 0 454.578 0.812 20 10 JCCDRN COCCN1C(=O)C(=C(NCc2ccc(N(C)C)cc2)[C@@H](F)C(=O)OC)C(=O)NC1=S ZINC000814336191 1070256901 /nfs/dbraw/zinc/25/69/01/1070256901.db2.gz RCLDSJTYTYOTSZ-DPEHCCBOSA-N 0 0 452.508 0.497 20 10 JCCDRN COCCN1C(=O)C(=C(NCc2ccc(N(C)C)cc2)[C@H](F)C(=O)OC)C(=O)NC1=S ZINC000814336199 1070257033 /nfs/dbraw/zinc/25/70/33/1070257033.db2.gz RCLDSJTYTYOTSZ-IDTYTIONSA-N 0 0 452.508 0.497 20 10 JCCDRN COCCN1C(=O)C(=C(NCc2ccc(N(C)C)cc2)[C@H](F)C(=O)OC)C(=O)NC1=S ZINC000814336201 1070258014 /nfs/dbraw/zinc/25/80/14/1070258014.db2.gz RCLDSJTYTYOTSZ-RIBQPWQFSA-N 0 0 452.508 0.497 20 10 JCCDRN COCCN1C(=O)C(=C(NCc2ccc(N(C)C)cc2)[C@@H](F)C(=O)OC)C(=O)NC1=S ZINC000814336203 1070257926 /nfs/dbraw/zinc/25/79/26/1070257926.db2.gz RCLDSJTYTYOTSZ-VZHUHSAUSA-N 0 0 452.508 0.497 20 10 JCCDRN COC(=O)[C@@H](F)C(Nc1ccnn1Cc1ccc(N(C)C)cc1)=C1C(=O)NC(=S)NC1=O ZINC000814396006 1070265948 /nfs/dbraw/zinc/26/59/48/1070265948.db2.gz YPFGHABBUHNUKK-HNNXBMFYSA-N 0 0 460.491 0.705 20 10 JCCDRN COC(=O)[C@H](F)C(Nc1ccnn1Cc1ccc(N(C)C)cc1)=C1C(=O)NC(=S)NC1=O ZINC000814396007 1070266167 /nfs/dbraw/zinc/26/61/67/1070266167.db2.gz YPFGHABBUHNUKK-OAHLLOKOSA-N 0 0 460.491 0.705 20 10 JCCDRN COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)cc1 ZINC000818012231 1070302025 /nfs/dbraw/zinc/30/20/25/1070302025.db2.gz SNZMRUQZATUALQ-UHFFFAOYSA-N 0 0 473.555 0.716 20 10 JCCDRN COc1ccc(N2CCN(CCCNS(=O)(=O)c3cccc(S(N)(=O)=O)c3)CC2)cc1 ZINC000818012621 1070301841 /nfs/dbraw/zinc/30/18/41/1070301841.db2.gz WPLCAXFTUDTYBB-UHFFFAOYSA-N 0 0 468.601 0.833 20 10 JCCDRN O=C(COC(=O)C1=NNC(=O)CC1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000825117247 1070385626 /nfs/dbraw/zinc/38/56/26/1070385626.db2.gz UIQJIPCGZGTVPG-NVNXTCNLSA-N 0 0 490.519 0.542 20 10 JCCDRN O=C(COC(=O)C1=NNC(=O)CC1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000825117248 1070385375 /nfs/dbraw/zinc/38/53/75/1070385375.db2.gz UIQJIPCGZGTVPG-OVCLIPMQSA-N 0 0 490.519 0.542 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3cc(S(N)(=O)=O)ccc3F)CC2)cc1 ZINC000825157931 1070387561 /nfs/dbraw/zinc/38/75/61/1070387561.db2.gz CLHCDSXEJLZDAX-UHFFFAOYSA-N 0 0 451.476 0.987 20 10 JCCDRN O=C(COC(=O)CN1CCCC1=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000825282094 1070389635 /nfs/dbraw/zinc/38/96/35/1070389635.db2.gz HHPGOGGIBLJSPZ-CXUHLZMHSA-N 0 0 491.547 0.898 20 10 JCCDRN O=C(COC(=O)CN1CCCC1=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000825282099 1070389678 /nfs/dbraw/zinc/38/96/78/1070389678.db2.gz HHPGOGGIBLJSPZ-SXGWCWSVSA-N 0 0 491.547 0.898 20 10 JCCDRN Cc1cc(C(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000825374695 1070392457 /nfs/dbraw/zinc/39/24/57/1070392457.db2.gz AGVWLXWNZQEQCK-UHFFFAOYSA-N 0 0 493.476 0.996 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000825386777 1070390480 /nfs/dbraw/zinc/39/04/80/1070390480.db2.gz SMZGBSVLFJKFQU-UHFFFAOYSA-N 0 0 450.473 0.978 20 10 JCCDRN Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)sc2n1 ZINC000832649849 1071313816 /nfs/dbraw/zinc/31/38/16/1071313816.db2.gz HTYNWAYDOMTPGM-AWEZNQCLSA-N 0 0 466.585 0.983 20 10 JCCDRN Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)sc2n1 ZINC000832649850 1071313762 /nfs/dbraw/zinc/31/37/62/1071313762.db2.gz HTYNWAYDOMTPGM-CQSZACIVSA-N 0 0 466.585 0.983 20 10 JCCDRN O=C(COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000844205755 1070405589 /nfs/dbraw/zinc/40/55/89/1070405589.db2.gz XOYJKMDNLYSRTN-UHFFFAOYSA-N 0 0 492.469 0.913 20 10 JCCDRN O=C(COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000844205828 1070405755 /nfs/dbraw/zinc/40/57/55/1070405755.db2.gz ZOKHMFZPVBINLG-UHFFFAOYSA-N 0 0 492.469 0.913 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c1 ZINC000857454179 1070097134 /nfs/dbraw/zinc/09/71/34/1070097134.db2.gz SCDXXTOXBLTILT-UHFFFAOYSA-N 0 0 461.562 0.467 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N(CC(F)F)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000857502349 1070099695 /nfs/dbraw/zinc/09/96/95/1070099695.db2.gz FZDWOFCDAZCUOS-UHFFFAOYSA-N 0 0 455.505 0.895 20 10 JCCDRN Nc1nccnc1C(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000897964736 1070026324 /nfs/dbraw/zinc/02/63/24/1070026324.db2.gz JAXIZPOWWFMAAL-RIYZIHGNSA-N 0 0 487.519 0.962 20 10 JCCDRN Nc1nccnc1C(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000897964742 1070025901 /nfs/dbraw/zinc/02/59/01/1070025901.db2.gz JAXIZPOWWFMAAL-ZSOIEALJSA-N 0 0 487.519 0.962 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)C3CCN(c4ccc5nnnn5n4)CC3)CC2)cc1 ZINC000904524068 1070246591 /nfs/dbraw/zinc/24/65/91/1070246591.db2.gz YHWOGZCARGQGQA-UHFFFAOYSA-N 0 0 480.529 0.636 20 10 JCCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000906594258 1070276726 /nfs/dbraw/zinc/27/67/26/1070276726.db2.gz CJTMYVVPNJUHIW-UHFFFAOYSA-N 0 0 472.567 0.916 20 10 JCCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000912685749 1070357389 /nfs/dbraw/zinc/35/73/89/1070357389.db2.gz XMYFAIWEUUSLPL-UHFFFAOYSA-N 0 0 488.566 0.689 20 10 JCCDRN CC(=O)N[C@@H](C)C(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000913207824 1070390109 /nfs/dbraw/zinc/39/01/09/1070390109.db2.gz UMQTYKSLLPPLTR-AXLKIAQESA-N 0 0 479.536 0.801 20 10 JCCDRN CC(=O)N[C@@H](C)C(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000913207825 1070390033 /nfs/dbraw/zinc/39/00/33/1070390033.db2.gz UMQTYKSLLPPLTR-FSKGUYTJSA-N 0 0 479.536 0.801 20 10 JCCDRN NS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC000913214793 1070388438 /nfs/dbraw/zinc/38/84/38/1070388438.db2.gz OAOMFWUKNDISFA-UHFFFAOYSA-N 0 0 471.491 0.859 20 10 JCCDRN NS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC000913214810 1070388521 /nfs/dbraw/zinc/38/85/21/1070388521.db2.gz PNOMRZGTHACATB-UHFFFAOYSA-N 0 0 471.491 0.859 20 10 JCCDRN Cn1c2ncn(CCOC(=O)c3ccc4c(c3N)C(=O)c3ccccc3C4=O)c2c(=O)n(C)c1=O ZINC000913224000 1070390068 /nfs/dbraw/zinc/39/00/68/1070390068.db2.gz IOWQEMHSLGIPJK-UHFFFAOYSA-N 0 0 473.445 0.648 20 10 JCCDRN CC(=O)NCC(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000913227477 1070389969 /nfs/dbraw/zinc/38/99/69/1070389969.db2.gz QSFIPYXDFBIOOC-CHHVJCJISA-N 0 0 465.509 0.412 20 10 JCCDRN CC(=O)NCC(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000913227478 1070390143 /nfs/dbraw/zinc/39/01/43/1070390143.db2.gz QSFIPYXDFBIOOC-VIZOYTHASA-N 0 0 465.509 0.412 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)cc1 ZINC000913375420 1070415050 /nfs/dbraw/zinc/41/50/50/1070415050.db2.gz QOPVRRJGEWAEER-UHFFFAOYSA-N 0 0 467.482 0.146 20 10 JCCDRN Cc1cc(C(=O)Cn2c(=O)ccn(C)c2=O)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000913540810 1070431134 /nfs/dbraw/zinc/43/11/34/1070431134.db2.gz VFLAZBSVVWUNRY-UHFFFAOYSA-N 0 0 486.550 0.858 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3nnnn3-c3ccccc3)CC2)cc1 ZINC000914470010 1067845892 /nfs/dbraw/zinc/84/58/92/1067845892.db2.gz NDOLRJCPNYFVAA-UHFFFAOYSA-N 0 0 456.528 0.935 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CS(=O)(=O)CCN3C(=O)NC(C)(C)C3=O)CC2)cc1 ZINC000914473822 1067845800 /nfs/dbraw/zinc/84/58/00/1067845800.db2.gz OUHSDJCMZFZDLR-UHFFFAOYSA-N 0 0 452.533 0.089 20 10 JCCDRN O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCN(CCO)CC1 ZINC000914531497 1067848357 /nfs/dbraw/zinc/84/83/57/1067848357.db2.gz YTJNLLKYALYTKM-UHFFFAOYSA-N 0 0 450.473 0.851 20 10 JCCDRN CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC000914575742 1067852361 /nfs/dbraw/zinc/85/23/61/1067852361.db2.gz ZDZZVRZMGKNELI-UHFFFAOYSA-N 0 0 456.524 0.825 20 10 JCCDRN C[C@@H]1CN(C(=O)Cn2c(=O)c(=Cc3ccc(N4CCOCC4)cc3)sc2=CC(=O)C2CC2)CCO1 ZINC000914579978 1067853795 /nfs/dbraw/zinc/85/37/95/1067853795.db2.gz QWBKEWCXMFMWSZ-GOSISDBHSA-N 0 0 497.617 0.582 20 10 JCCDRN C[C@H]1CN(C(=O)Cn2c(=O)c(=Cc3ccc(N4CCOCC4)cc3)sc2=CC(=O)C2CC2)CCO1 ZINC000914579979 1067853665 /nfs/dbraw/zinc/85/36/65/1067853665.db2.gz QWBKEWCXMFMWSZ-SFHVURJKSA-N 0 0 497.617 0.582 20 10 JCCDRN O=C(Cn1c(=O)c(=Cc2ccc(N3CCOCC3)cc2)sc1=CC(=O)C1CC1)NC[C@@H]1CCCO1 ZINC000914579998 1067854200 /nfs/dbraw/zinc/85/42/00/1067854200.db2.gz SHSLLLIUDVZCAY-NRFANRHFSA-N 0 0 497.617 0.630 20 10 JCCDRN O=C(Cn1c(=O)c(=Cc2ccc(N3CCOCC3)cc2)sc1=CC(=O)C1CC1)NC[C@H]1CCCO1 ZINC000914579999 1067854048 /nfs/dbraw/zinc/85/40/48/1067854048.db2.gz SHSLLLIUDVZCAY-OAQYLSRUSA-N 0 0 497.617 0.630 20 10 JCCDRN O=C(C=c1sc(=Cc2ccc(N3CCOCC3)cc2)c(=O)n1CC(=O)N1CCOCC1)C1CC1 ZINC000914581778 1067854170 /nfs/dbraw/zinc/85/41/70/1067854170.db2.gz JWYCYJKYNDQIPN-UHFFFAOYSA-N 0 0 483.590 0.194 20 10 JCCDRN COCCCNC(=O)Cn1c(=O)c(=Cc2ccc(N3CCOCC3)cc2)sc1=CC(=O)C1CC1 ZINC000914581779 1067854254 /nfs/dbraw/zinc/85/42/54/1067854254.db2.gz JXSOAIMSNNINJM-UHFFFAOYSA-N 0 0 485.606 0.488 20 10 JCCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000914603701 1067857130 /nfs/dbraw/zinc/85/71/30/1067857130.db2.gz WAQDBCJQXCBDES-UHFFFAOYSA-N 0 0 460.512 0.737 20 10 JCCDRN NC(=O)C(NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)C(N)=O ZINC000914605734 1067856770 /nfs/dbraw/zinc/85/67/70/1067856770.db2.gz YNSYNSYOJWIXCM-UITAMQMPSA-N 0 0 457.331 0.106 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)CCNS(=O)(=O)c3cccnc3)CC2)cc1 ZINC000914614980 1067858956 /nfs/dbraw/zinc/85/89/56/1067858956.db2.gz QGOPEPSYCOUFGM-UHFFFAOYSA-N 0 0 462.528 0.651 20 10 JCCDRN Cc1cc(C(=O)COC(=O)CCNS(C)(=O)=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000914648603 1067868464 /nfs/dbraw/zinc/86/84/64/1067868464.db2.gz BMGOOFBIDVMOOA-UHFFFAOYSA-N 0 0 457.530 0.407 20 10 JCCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000914653549 1067876219 /nfs/dbraw/zinc/87/62/19/1067876219.db2.gz KOYAIYBTQOANFE-AEFFLSMTSA-N 0 0 451.545 0.290 20 10 JCCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000914653554 1067876208 /nfs/dbraw/zinc/87/62/08/1067876208.db2.gz KOYAIYBTQOANFE-FUHWJXTLSA-N 0 0 451.545 0.290 20 10 JCCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000914653561 1067876323 /nfs/dbraw/zinc/87/63/23/1067876323.db2.gz KOYAIYBTQOANFE-SJLPKXTDSA-N 0 0 451.545 0.290 20 10 JCCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000914653565 1067876099 /nfs/dbraw/zinc/87/60/99/1067876099.db2.gz KOYAIYBTQOANFE-WMZOPIPTSA-N 0 0 451.545 0.290 20 10 JCCDRN COCCN1C[C@@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1=O ZINC000914664113 1067884743 /nfs/dbraw/zinc/88/47/43/1067884743.db2.gz SHMQDCFYLPCATH-INIZCTEOSA-N 0 0 477.539 0.962 20 10 JCCDRN COCCN1C[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1=O ZINC000914664114 1067885453 /nfs/dbraw/zinc/88/54/53/1067885453.db2.gz SHMQDCFYLPCATH-MRXNPFEDSA-N 0 0 477.539 0.962 20 10 JCCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000914667796 1067889101 /nfs/dbraw/zinc/88/91/01/1067889101.db2.gz GYLQQEKUDSPURJ-UHFFFAOYSA-N 0 0 488.566 0.689 20 10 JCCDRN COC(=O)/C=C/c1ccc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000914786099 1067906254 /nfs/dbraw/zinc/90/62/54/1067906254.db2.gz MXMPMWVOUGABSJ-GQCTYLIASA-N 0 0 453.521 0.395 20 10 JCCDRN COC(=O)/C=C\c1ccc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000914786100 1067906081 /nfs/dbraw/zinc/90/60/81/1067906081.db2.gz MXMPMWVOUGABSJ-XQRVVYSFSA-N 0 0 453.521 0.395 20 10 JCCDRN COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CN3CCN(S(N)(=O)=O)CC3)c2C)c1 ZINC000914788075 1067905993 /nfs/dbraw/zinc/90/59/93/1067905993.db2.gz OJQBPFMYWDTRSC-UHFFFAOYSA-N 0 0 492.554 0.671 20 10 JCCDRN C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)C[C@H](C)O1 ZINC000914789145 1067906485 /nfs/dbraw/zinc/90/64/85/1067906485.db2.gz LWZPJSZULAEHFU-KDURUIRLSA-N 0 0 467.636 0.683 20 10 JCCDRN C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)C[C@H](C)O1 ZINC000914789146 1067906501 /nfs/dbraw/zinc/90/65/01/1067906501.db2.gz LWZPJSZULAEHFU-OALUTQOASA-N 0 0 467.636 0.683 20 10 JCCDRN C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)C[C@@H](C)O1 ZINC000914789147 1067906591 /nfs/dbraw/zinc/90/65/91/1067906591.db2.gz LWZPJSZULAEHFU-RTBURBONSA-N 0 0 467.636 0.683 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CN3CCN(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)CC3)CC2)cc1 ZINC000914789273 1067906988 /nfs/dbraw/zinc/90/69/88/1067906988.db2.gz ZTWDLNWRKYURRF-BGYRXZFFSA-N 0 0 495.646 0.315 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CN3CCN(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)CC2)cc1 ZINC000914789274 1067907022 /nfs/dbraw/zinc/90/70/22/1067907022.db2.gz ZTWDLNWRKYURRF-PMACEKPBSA-N 0 0 495.646 0.315 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CN3CCN(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)CC2)cc1 ZINC000914789275 1067906828 /nfs/dbraw/zinc/90/68/28/1067906828.db2.gz ZTWDLNWRKYURRF-WOJBJXKFSA-N 0 0 495.646 0.315 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)CC2)cc1 ZINC000914816726 1067911313 /nfs/dbraw/zinc/91/13/13/1067911313.db2.gz IYNCRSDAQKTNTI-UHFFFAOYSA-N 0 0 493.538 0.815 20 10 JCCDRN CCN1C(=O)C(=CNNc2ccc(S(=O)(=O)NC(C)(C)C)cn2)C(=O)N(CC)C1=S ZINC000914867566 1067917567 /nfs/dbraw/zinc/91/75/67/1067917567.db2.gz GHOCMQGWMBVZMC-UHFFFAOYSA-N 0 0 454.578 0.954 20 10 JCCDRN CC(C)CN1C(=O)C(=CNNc2ccc(S(=O)(=O)N3CCCC3)cn2)C(=O)NC1=S ZINC000914867580 1067917310 /nfs/dbraw/zinc/91/73/10/1067917310.db2.gz GVBDOFDNUPUVGV-GXDHUFHOSA-N 0 0 452.562 0.566 20 10 JCCDRN CC(C)CN1C(=O)C(=CNNc2ccc(S(=O)(=O)N3CCCC3)cn2)C(=O)NC1=S ZINC000914867581 1067917489 /nfs/dbraw/zinc/91/74/89/1067917489.db2.gz GVBDOFDNUPUVGV-UVTDQMKNSA-N 0 0 452.562 0.566 20 10 JCCDRN CC(C)CN1C(=O)C(=CNNc2ccc(S(=O)(=O)NC(C)(C)C)cn2)C(=O)NC1=S ZINC000914868131 1067917466 /nfs/dbraw/zinc/91/74/66/1067917466.db2.gz KNSJLTAZQNFUFY-LCYFTJDESA-N 0 0 454.578 0.858 20 10 JCCDRN CC(C)CN1C(=O)C(=CNNc2ccc(S(=O)(=O)NC(C)(C)C)cn2)C(=O)NC1=S ZINC000914868132 1067917351 /nfs/dbraw/zinc/91/73/51/1067917351.db2.gz KNSJLTAZQNFUFY-UKTHLTGXSA-N 0 0 454.578 0.858 20 10 JCCDRN CCN1C(=O)C(=CNNc2ccc(S(=O)(=O)N3CCCC3)cn2)C(=O)N(CC)C1=S ZINC000914869972 1067917419 /nfs/dbraw/zinc/91/74/19/1067917419.db2.gz ZIIQARUOINBNLM-UHFFFAOYSA-N 0 0 452.562 0.662 20 10 JCCDRN Cc1cc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccccn1 ZINC000914907229 1067922181 /nfs/dbraw/zinc/92/21/81/1067922181.db2.gz SZPSCVBITHYFKC-GOSISDBHSA-N 0 0 460.556 0.977 20 10 JCCDRN Cc1cc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccccn1 ZINC000914907231 1067922145 /nfs/dbraw/zinc/92/21/45/1067922145.db2.gz SZPSCVBITHYFKC-SFHVURJKSA-N 0 0 460.556 0.977 20 10 JCCDRN CN1C[C@@H](C(=O)OCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1=O ZINC000914918865 1067926081 /nfs/dbraw/zinc/92/60/81/1067926081.db2.gz GHZWILAAIVKOEF-BWADBZPLSA-N 0 0 491.547 0.754 20 10 JCCDRN CN1C[C@H](C(=O)OCC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CC1=O ZINC000914918866 1067926004 /nfs/dbraw/zinc/92/60/04/1067926004.db2.gz GHZWILAAIVKOEF-DFWYYUMKSA-N 0 0 491.547 0.754 20 10 JCCDRN CN1C[C@@H](C(=O)OCC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CC1=O ZINC000914918867 1067926069 /nfs/dbraw/zinc/92/60/69/1067926069.db2.gz GHZWILAAIVKOEF-HFVKVNHUSA-N 0 0 491.547 0.754 20 10 JCCDRN CN1C[C@H](C(=O)OCC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1=O ZINC000914918868 1067926115 /nfs/dbraw/zinc/92/61/15/1067926115.db2.gz GHZWILAAIVKOEF-YSTIZTGUSA-N 0 0 491.547 0.754 20 10 JCCDRN CC(=O)N(C)CC(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000914922965 1067927923 /nfs/dbraw/zinc/92/79/23/1067927923.db2.gz WZJVXZFSIYHFKL-LZYBPNLTSA-N 0 0 479.536 0.754 20 10 JCCDRN CC(=O)N(C)CC(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000914922966 1067928204 /nfs/dbraw/zinc/92/82/04/1067928204.db2.gz WZJVXZFSIYHFKL-PXNMLYILSA-N 0 0 479.536 0.754 20 10 JCCDRN Cc1cc(C(=O)COC(=O)CN(C)S(C)(=O)=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000914924685 1067926461 /nfs/dbraw/zinc/92/64/61/1067926461.db2.gz HXPYRNHBUOCEPX-UHFFFAOYSA-N 0 0 457.530 0.359 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)Cc3ccc(S(N)(=O)=O)s3)CC2)cc1 ZINC000914960928 1067934309 /nfs/dbraw/zinc/93/43/09/1067934309.db2.gz ATVLAQQVCXLFCO-UHFFFAOYSA-N 0 0 453.542 0.839 20 10 JCCDRN O=C(COC(=O)CNC(=O)C1CC1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000915014500 1067943647 /nfs/dbraw/zinc/94/36/47/1067943647.db2.gz CSKISODCNYDDOD-LZYBPNLTSA-N 0 0 491.547 0.802 20 10 JCCDRN O=C(COC(=O)CNC(=O)C1CC1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000915014501 1067943824 /nfs/dbraw/zinc/94/38/24/1067943824.db2.gz CSKISODCNYDDOD-PXNMLYILSA-N 0 0 491.547 0.802 20 10 JCCDRN Cc1c(CO)cc([N+](=O)[O-])c(N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000915213903 1067959732 /nfs/dbraw/zinc/95/97/32/1067959732.db2.gz TURJIVGJUHRUMT-BETUJISGSA-N 0 0 473.508 0.780 20 10 JCCDRN Cc1c(CO)cc([N+](=O)[O-])c(N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000915213952 1067960212 /nfs/dbraw/zinc/96/02/12/1067960212.db2.gz TURJIVGJUHRUMT-CHWSQXEVSA-N 0 0 473.508 0.780 20 10 JCCDRN Cc1c(CO)cc([N+](=O)[O-])c(N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000915213953 1067960218 /nfs/dbraw/zinc/96/02/18/1067960218.db2.gz TURJIVGJUHRUMT-STQMWFEESA-N 0 0 473.508 0.780 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3cc(S(=O)(=O)N(C)C)c[nH]3)CC2)cc1 ZINC000915239671 1067964426 /nfs/dbraw/zinc/96/44/26/1067964426.db2.gz OXKXVWMFJWAVOZ-UHFFFAOYSA-N 0 0 450.517 0.779 20 10 JCCDRN CNC(=O)NC(=O)CN(CC(=O)NC(=O)NC)c1ccc(OC)c(NC(=O)OC(C)(C)C)c1 ZINC000915260101 1067967237 /nfs/dbraw/zinc/96/72/37/1067967237.db2.gz GVHNWJSGLXIDBI-UHFFFAOYSA-N 0 0 466.495 0.760 20 10 JCCDRN COc1ccc(N(CC(=O)N2CCNC2=O)CC(=O)N2CCNC2=O)cc1NC(=O)OC(C)(C)C ZINC000915260177 1067967579 /nfs/dbraw/zinc/96/75/79/1067967579.db2.gz RYJURPSBRTWAIH-UHFFFAOYSA-N 0 0 490.517 0.952 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CN3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)CC2)cc1 ZINC000915360822 1067976590 /nfs/dbraw/zinc/97/65/90/1067976590.db2.gz NVDPIYPKNBCJQL-UHFFFAOYSA-N 0 0 473.599 0.813 20 10 JCCDRN C[C@@H](OC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000915394040 1067982458 /nfs/dbraw/zinc/98/24/58/1067982458.db2.gz KCMPJRBOBSLXMC-CYBMUJFWSA-N 0 0 461.430 0.893 20 10 JCCDRN C[C@H](OC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000915394043 1067982432 /nfs/dbraw/zinc/98/24/32/1067982432.db2.gz KCMPJRBOBSLXMC-ZDUSSCGKSA-N 0 0 461.430 0.893 20 10 JCCDRN C[C@@H](OC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000915394567 1067982823 /nfs/dbraw/zinc/98/28/23/1067982823.db2.gz XWIPHDRNKDMSDP-CYBMUJFWSA-N 0 0 461.430 0.893 20 10 JCCDRN C[C@H](OC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000915394568 1067982918 /nfs/dbraw/zinc/98/29/18/1067982918.db2.gz XWIPHDRNKDMSDP-ZDUSSCGKSA-N 0 0 461.430 0.893 20 10 JCCDRN Cc1cc(C(=O)COC(=O)Cn2ccc(=O)n(C)c2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000915398548 1067985450 /nfs/dbraw/zinc/98/54/50/1067985450.db2.gz NRFSCRXVXYYLDS-UHFFFAOYSA-N 0 0 474.495 0.028 20 10 JCCDRN O=C(COC(=O)[C@@H]1COCCO1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000915415511 1067990389 /nfs/dbraw/zinc/99/03/89/1067990389.db2.gz RCFDLDRCTUFQNG-CRNMQVKPSA-N 0 0 480.520 0.691 20 10 JCCDRN O=C(COC(=O)[C@H]1COCCO1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000915415512 1067990196 /nfs/dbraw/zinc/99/01/96/1067990196.db2.gz RCFDLDRCTUFQNG-FUXXUDPSSA-N 0 0 480.520 0.691 20 10 JCCDRN O=C(COC(=O)[C@H]1COCCO1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000915415513 1067990238 /nfs/dbraw/zinc/99/02/38/1067990238.db2.gz RCFDLDRCTUFQNG-HXIRNQQJSA-N 0 0 480.520 0.691 20 10 JCCDRN O=C(COC(=O)[C@@H]1COCCO1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000915415514 1067990416 /nfs/dbraw/zinc/99/04/16/1067990416.db2.gz RCFDLDRCTUFQNG-MDNIKOHYSA-N 0 0 480.520 0.691 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(F)c(S(N)(=O)=O)c3)CC2)cc1 ZINC000915463012 1068002891 /nfs/dbraw/zinc/00/28/91/1068002891.db2.gz UAXZVWJBRXQAPI-UHFFFAOYSA-N 0 0 451.476 0.987 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)N(C)CCO)cc3)CC2)cc1 ZINC000915474438 1068005432 /nfs/dbraw/zinc/00/54/32/1068005432.db2.gz XYQRZHQCVFJFKR-UHFFFAOYSA-N 0 0 491.566 0.814 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)NC[C@H](C)O)cc3)CC2)cc1 ZINC000915475006 1068006717 /nfs/dbraw/zinc/00/67/17/1068006717.db2.gz GAQHRMKZNACKIB-KRWDZBQOSA-N 0 0 491.566 0.860 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)NC[C@@H](C)O)cc3)CC2)cc1 ZINC000915475007 1068006629 /nfs/dbraw/zinc/00/66/29/1068006629.db2.gz GAQHRMKZNACKIB-QGZVFWFLSA-N 0 0 491.566 0.860 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)N[C@@H](C)CO)cc3)CC2)cc1 ZINC000915481149 1068012142 /nfs/dbraw/zinc/01/21/42/1068012142.db2.gz LRGYYMLMZHEONH-KRWDZBQOSA-N 0 0 491.566 0.860 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)N[C@H](C)CO)cc3)CC2)cc1 ZINC000915481151 1068012071 /nfs/dbraw/zinc/01/20/71/1068012071.db2.gz LRGYYMLMZHEONH-QGZVFWFLSA-N 0 0 491.566 0.860 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)Cc3cc(F)c(OC)c(S(N)(=O)=O)c3)CC2)cc1 ZINC000915546492 1068026230 /nfs/dbraw/zinc/02/62/30/1068026230.db2.gz ZYLCPVMXUMQTKZ-UHFFFAOYSA-N 0 0 495.529 0.925 20 10 JCCDRN COC(=O)COc1ccc(N(CC(=O)N2CCO[C@H](C)C2)CC(=O)N2CCO[C@@H](C)C2)cc1 ZINC000915634703 1068032157 /nfs/dbraw/zinc/03/21/57/1068032157.db2.gz KADBYWDZZMHXFH-HDICACEKSA-N 0 0 463.531 0.539 20 10 JCCDRN COC(=O)COc1ccc(N(CC(=O)N2CCO[C@H](C)C2)CC(=O)N2CCO[C@H](C)C2)cc1 ZINC000915634705 1068032481 /nfs/dbraw/zinc/03/24/81/1068032481.db2.gz KADBYWDZZMHXFH-QZTJIDSGSA-N 0 0 463.531 0.539 20 10 JCCDRN COC(=O)COc1ccc(N(CC(=O)N2CCO[C@@H](C)C2)CC(=O)N2CCO[C@@H](C)C2)cc1 ZINC000915634707 1068032320 /nfs/dbraw/zinc/03/23/20/1068032320.db2.gz KADBYWDZZMHXFH-ROUUACIJSA-N 0 0 463.531 0.539 20 10 JCCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000915731880 1068042023 /nfs/dbraw/zinc/04/20/23/1068042023.db2.gz FVNHBSKFSFCTOG-KRWDZBQOSA-N 0 0 494.595 0.473 20 10 JCCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000915731882 1068041798 /nfs/dbraw/zinc/04/17/98/1068041798.db2.gz FVNHBSKFSFCTOG-QGZVFWFLSA-N 0 0 494.595 0.473 20 10 JCCDRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000915732114 1068041231 /nfs/dbraw/zinc/04/12/31/1068041231.db2.gz RMNBQFYYSLZFED-UHFFFAOYSA-N 0 0 489.598 0.952 20 10 JCCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 ZINC000915732126 1068041449 /nfs/dbraw/zinc/04/14/49/1068041449.db2.gz SIGYIFFFLDVPQD-UHFFFAOYSA-N 0 0 459.572 0.944 20 10 JCCDRN O=C(CN1CCS(=O)(=O)CC1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000916156053 1068080390 /nfs/dbraw/zinc/08/03/90/1068080390.db2.gz BDWDNOUOOPOSAO-MHWRWJLKSA-N 0 0 483.593 0.463 20 10 JCCDRN CCOC(=O)C=c1sc(=Cc2ccc(N3CCCCC3)cc2)c(=O)n1CC(=O)NCCOC ZINC000916156263 1068080502 /nfs/dbraw/zinc/08/05/02/1068080502.db2.gz QAVLKQOPDQHVJZ-UHFFFAOYSA-N 0 0 473.595 0.835 20 10 JCCDRN CCOC(=O)C=c1sc(=Cc2ccc(N3CCOCC3)cc2)c(=O)n1CC(=O)N(CC)CC ZINC000916157518 1068080488 /nfs/dbraw/zinc/08/04/88/1068080488.db2.gz NILPYGZRDBRBSB-UHFFFAOYSA-N 0 0 473.595 0.787 20 10 JCCDRN CCOC(=O)C=c1sc(=Cc2ccc(N(CC)CC)cc2)c(=O)n1CC(=O)N1CCOCC1 ZINC000916157704 1068080347 /nfs/dbraw/zinc/08/03/47/1068080347.db2.gz SQIPAOYBAOPUNC-UHFFFAOYSA-N 0 0 473.595 0.787 20 10 JCCDRN CCOC(=O)C=c1sc(=Cc2ccc(N3CCCCC3)cc2)c(=O)n1CC(=O)N1CCOCC1 ZINC000916158539 1068080306 /nfs/dbraw/zinc/08/03/06/1068080306.db2.gz XLQGSJSWZQZRPX-UHFFFAOYSA-N 0 0 485.606 0.931 20 10 JCCDRN CC(C)(C)C(=O)C=c1sc(=Cc2ccc(N3CCOCC3)cc2)c(=O)n1CC(=O)N1CCOCC1 ZINC000916219981 1068091635 /nfs/dbraw/zinc/09/16/35/1068091635.db2.gz TXEAXGUQTJTLOU-UHFFFAOYSA-N 0 0 499.633 0.830 20 10 JCCDRN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000916441388 1068101205 /nfs/dbraw/zinc/10/12/05/1068101205.db2.gz QAZLYPZADHBJHM-GFCCVEGCSA-N 0 0 470.459 0.632 20 10 JCCDRN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000916441389 1068101126 /nfs/dbraw/zinc/10/11/26/1068101126.db2.gz QAZLYPZADHBJHM-LBPRGKRZSA-N 0 0 470.459 0.632 20 10 JCCDRN Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(N3CCOCC3)cc1C(F)(F)F)c(=O)n2C ZINC000916456847 1068104586 /nfs/dbraw/zinc/10/45/86/1068104586.db2.gz VTUBKSGJMVEVOJ-UHFFFAOYSA-N 0 0 480.447 0.606 20 10 JCCDRN Cn1c2ncn(CC(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c2c(=O)n(C)c1=O ZINC000916458079 1068105281 /nfs/dbraw/zinc/10/52/81/1068105281.db2.gz TWRHMFSPKFDZBZ-UHFFFAOYSA-N 0 0 480.447 0.606 20 10 JCCDRN Cn1c2ncn(CCC(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)c2c(=O)n(C)c1=O ZINC000916458289 1068105438 /nfs/dbraw/zinc/10/54/38/1068105438.db2.gz YUDULEUETTWIPK-UHFFFAOYSA-N 0 0 494.474 0.996 20 10 JCCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000916565838 1068121582 /nfs/dbraw/zinc/12/15/82/1068121582.db2.gz LCYKFFPLVSLWHS-GOSISDBHSA-N 0 0 454.531 0.708 20 10 JCCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000916565839 1068121614 /nfs/dbraw/zinc/12/16/14/1068121614.db2.gz LCYKFFPLVSLWHS-SFHVURJKSA-N 0 0 454.531 0.708 20 10 JCCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC000916565862 1068121512 /nfs/dbraw/zinc/12/15/12/1068121512.db2.gz LYRWSOUKMUDKSF-GOSISDBHSA-N 0 0 454.531 0.708 20 10 JCCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC000916565863 1068122503 /nfs/dbraw/zinc/12/25/03/1068122503.db2.gz LYRWSOUKMUDKSF-SFHVURJKSA-N 0 0 454.531 0.708 20 10 JCCDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)CC1 ZINC000916587476 1068122483 /nfs/dbraw/zinc/12/24/83/1068122483.db2.gz JKBZCVLBEJWGTG-UHFFFAOYSA-N 0 0 450.609 0.606 20 10 JCCDRN O=C(COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1)c1ccc(O)c(O)c1 ZINC000916595244 1068123069 /nfs/dbraw/zinc/12/30/69/1068123069.db2.gz VWUOBFNCPAKQJI-CYBMUJFWSA-N 0 0 474.285 0.926 20 10 JCCDRN O=C(COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1)c1ccc(O)c(O)c1 ZINC000916595245 1068122780 /nfs/dbraw/zinc/12/27/80/1068122780.db2.gz VWUOBFNCPAKQJI-ZDUSSCGKSA-N 0 0 474.285 0.926 20 10 JCCDRN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c2)CC1 ZINC000916618229 1068127883 /nfs/dbraw/zinc/12/78/83/1068127883.db2.gz HQOYNBIURMUMHZ-UHFFFAOYSA-N 0 0 462.480 0.990 20 10 JCCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000916624588 1068128513 /nfs/dbraw/zinc/12/85/13/1068128513.db2.gz ITUGJPIOAJJABZ-UHFFFAOYSA-N 0 0 469.633 0.644 20 10 JCCDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)CC2)CC1 ZINC000916624783 1068128555 /nfs/dbraw/zinc/12/85/55/1068128555.db2.gz PXOORJZXQZVYCY-UHFFFAOYSA-N 0 0 482.676 0.559 20 10 JCCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000916626232 1068126824 /nfs/dbraw/zinc/12/68/24/1068126824.db2.gz UMXSSZGICNSIMG-UHFFFAOYSA-N 0 0 461.588 0.452 20 10 JCCDRN O=C(Cn1cnnn1)N1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000916631930 1068128707 /nfs/dbraw/zinc/12/87/07/1068128707.db2.gz NSTORLVFQNOQEV-UHFFFAOYSA-N 0 0 482.467 0.583 20 10 JCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000916676282 1068135070 /nfs/dbraw/zinc/13/50/70/1068135070.db2.gz FKVYWDOAMFUXMA-UHFFFAOYSA-N 0 0 499.636 0.934 20 10 JCCDRN COCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000916676608 1068135125 /nfs/dbraw/zinc/13/51/25/1068135125.db2.gz MKNKQOQOOWEVHH-UHFFFAOYSA-N 0 0 481.596 0.776 20 10 JCCDRN NC(=O)[C@@H]1CC(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)=NN1c1ccccc1 ZINC000916677449 1068135897 /nfs/dbraw/zinc/13/58/97/1068135897.db2.gz YUNJXFQWBTXXOH-FQEVSTJZSA-N 0 0 455.540 0.658 20 10 JCCDRN NC(=O)[C@H]1CC(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)=NN1c1ccccc1 ZINC000916677450 1068135838 /nfs/dbraw/zinc/13/58/38/1068135838.db2.gz YUNJXFQWBTXXOH-HXUWFJFHSA-N 0 0 455.540 0.658 20 10 JCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000916677456 1068135860 /nfs/dbraw/zinc/13/58/60/1068135860.db2.gz ZDDHBCCJGYRXTR-UHFFFAOYSA-N 0 0 469.523 0.997 20 10 JCCDRN CS(=O)(=O)N1CCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 ZINC000916733152 1068141228 /nfs/dbraw/zinc/14/12/28/1068141228.db2.gz OMNNFBPKNSKCEM-UHFFFAOYSA-N 0 0 484.512 0.819 20 10 JCCDRN COCCNC(=O)CN1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000916971670 1068179570 /nfs/dbraw/zinc/17/95/70/1068179570.db2.gz QSDPJTVTCSUDFN-KDURUIRLSA-N 0 0 479.597 0.436 20 10 JCCDRN COCCNC(=O)CN1CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000916971672 1068179688 /nfs/dbraw/zinc/17/96/88/1068179688.db2.gz QSDPJTVTCSUDFN-OALUTQOASA-N 0 0 479.597 0.436 20 10 JCCDRN COCCNC(=O)CN1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000916971673 1068180310 /nfs/dbraw/zinc/18/03/10/1068180310.db2.gz QSDPJTVTCSUDFN-RTBURBONSA-N 0 0 479.597 0.436 20 10 JCCDRN O=C(CN1CCN(CC(=O)N2CCCCC2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000916972601 1068180159 /nfs/dbraw/zinc/18/01/59/1068180159.db2.gz PIXGTQIWEKFVAU-UHFFFAOYSA-N 0 0 461.582 0.909 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(C(=O)CN4CCOCC4)CC3)cc2F)C[C@H](C)O1 ZINC000916973845 1068180171 /nfs/dbraw/zinc/18/01/71/1068180171.db2.gz ARGASHDYBCRGTK-BGYRXZFFSA-N 0 0 491.608 0.532 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(C(=O)CN4CCOCC4)CC3)cc2F)C[C@H](C)O1 ZINC000916973847 1068180335 /nfs/dbraw/zinc/18/03/35/1068180335.db2.gz ARGASHDYBCRGTK-PMACEKPBSA-N 0 0 491.608 0.532 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(C(=O)CN4CCOCC4)CC3)cc2F)C[C@@H](C)O1 ZINC000916973848 1068180177 /nfs/dbraw/zinc/18/01/77/1068180177.db2.gz ARGASHDYBCRGTK-WOJBJXKFSA-N 0 0 491.608 0.532 20 10 JCCDRN CC(C)NC(=O)C(=O)N1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000916974233 1068180342 /nfs/dbraw/zinc/18/03/42/1068180342.db2.gz HJHGDUYMOPZHOS-HDICACEKSA-N 0 0 477.581 0.724 20 10 JCCDRN CC(C)NC(=O)C(=O)N1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000916974234 1068180298 /nfs/dbraw/zinc/18/02/98/1068180298.db2.gz HJHGDUYMOPZHOS-QZTJIDSGSA-N 0 0 477.581 0.724 20 10 JCCDRN CC(C)NC(=O)C(=O)N1CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000916974235 1068180367 /nfs/dbraw/zinc/18/03/67/1068180367.db2.gz HJHGDUYMOPZHOS-ROUUACIJSA-N 0 0 477.581 0.724 20 10 JCCDRN Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000916974683 1068180383 /nfs/dbraw/zinc/18/03/83/1068180383.db2.gz IVZQRMLVTWQQIO-UHFFFAOYSA-N 0 0 495.577 0.890 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(CC(=O)N4CCOCC4)CC3)cc2F)C[C@H](C)O1 ZINC000916984214 1068180967 /nfs/dbraw/zinc/18/09/67/1068180967.db2.gz FWWHFEWUYOWQMR-BGYRXZFFSA-N 0 0 491.608 0.532 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(CC(=O)N4CCOCC4)CC3)cc2F)C[C@H](C)O1 ZINC000916984215 1068181694 /nfs/dbraw/zinc/18/16/94/1068181694.db2.gz FWWHFEWUYOWQMR-PMACEKPBSA-N 0 0 491.608 0.532 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(CC(=O)N4CCOCC4)CC3)cc2F)C[C@@H](C)O1 ZINC000916984216 1068181665 /nfs/dbraw/zinc/18/16/65/1068181665.db2.gz FWWHFEWUYOWQMR-WOJBJXKFSA-N 0 0 491.608 0.532 20 10 JCCDRN COC(=O)C[C@H]1C(=O)NCCN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000916984227 1068181610 /nfs/dbraw/zinc/18/16/10/1068181610.db2.gz GNNFYZMWLAISTP-KHYOSLBOSA-N 0 0 450.511 0.419 20 10 JCCDRN COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000916984228 1068181621 /nfs/dbraw/zinc/18/16/21/1068181621.db2.gz GNNFYZMWLAISTP-SPYBWZPUSA-N 0 0 450.511 0.419 20 10 JCCDRN COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000916984229 1068181615 /nfs/dbraw/zinc/18/16/15/1068181615.db2.gz GNNFYZMWLAISTP-YZVOILCLSA-N 0 0 450.511 0.419 20 10 JCCDRN COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000916984230 1068181601 /nfs/dbraw/zinc/18/16/01/1068181601.db2.gz GNNFYZMWLAISTP-ZRGWGRIASA-N 0 0 450.511 0.419 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(CC(=O)NC4CC4)CC3)cc2F)C[C@H](C)O1 ZINC000916986179 1068179694 /nfs/dbraw/zinc/17/96/94/1068179694.db2.gz NDNLRIYOCGWLGA-HDICACEKSA-N 0 0 461.582 0.952 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(CC(=O)NC4CC4)CC3)cc2F)C[C@@H](C)O1 ZINC000916986180 1068179644 /nfs/dbraw/zinc/17/96/44/1068179644.db2.gz NDNLRIYOCGWLGA-QZTJIDSGSA-N 0 0 461.582 0.952 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(CC(=O)NC4CC4)CC3)cc2F)C[C@H](C)O1 ZINC000916986181 1068179734 /nfs/dbraw/zinc/17/97/34/1068179734.db2.gz NDNLRIYOCGWLGA-ROUUACIJSA-N 0 0 461.582 0.952 20 10 JCCDRN Cc1cc(NC(=O)CN2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)no1 ZINC000916998168 1068182948 /nfs/dbraw/zinc/18/29/48/1068182948.db2.gz MRQYXVVFFFZWPG-UHFFFAOYSA-N 0 0 474.537 0.831 20 10 JCCDRN Cn1ncc2c1ncnc2N1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000917010211 1068183680 /nfs/dbraw/zinc/18/36/80/1068183680.db2.gz DDIDMHCLFKGFFM-UHFFFAOYSA-N 0 0 468.537 0.777 20 10 JCCDRN CCN(CC)S(=O)(=O)N1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000917022854 1068185018 /nfs/dbraw/zinc/18/50/18/1068185018.db2.gz KRTPNIFQENKLOI-UHFFFAOYSA-N 0 0 471.599 0.483 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2F)C[C@@H](C)O1 ZINC000917030637 1068185479 /nfs/dbraw/zinc/18/54/79/1068185479.db2.gz LDNDBFSPPDUVMF-GGPKGHCWSA-N 0 0 482.622 0.860 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2F)C[C@H](C)O1 ZINC000917030638 1068185427 /nfs/dbraw/zinc/18/54/27/1068185427.db2.gz LDNDBFSPPDUVMF-NSHGMRRFSA-N 0 0 482.622 0.860 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2F)C[C@@H](C)O1 ZINC000917030639 1068185634 /nfs/dbraw/zinc/18/56/34/1068185634.db2.gz LDNDBFSPPDUVMF-QWFCFKBJSA-N 0 0 482.622 0.860 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2F)C[C@H](C)O1 ZINC000917030640 1068185561 /nfs/dbraw/zinc/18/55/61/1068185561.db2.gz LDNDBFSPPDUVMF-WSTZPKSXSA-N 0 0 482.622 0.860 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(S(=O)(=O)N(C)C)CC3)cc2F)C[C@H](C)O1 ZINC000917038696 1068185545 /nfs/dbraw/zinc/18/55/45/1068185545.db2.gz KVRXZMIYQMYKAB-CALCHBBNSA-N 0 0 471.599 0.480 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(S(=O)(=O)N(C)C)CC3)cc2F)C[C@@H](C)O1 ZINC000917038698 1068185643 /nfs/dbraw/zinc/18/56/43/1068185643.db2.gz KVRXZMIYQMYKAB-IAGOWNOFSA-N 0 0 471.599 0.480 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(S(=O)(=O)N(C)C)CC3)cc2F)C[C@H](C)O1 ZINC000917038699 1068185392 /nfs/dbraw/zinc/18/53/92/1068185392.db2.gz KVRXZMIYQMYKAB-IRXDYDNUSA-N 0 0 471.599 0.480 20 10 JCCDRN O=C(CN1CCCN(CC(=O)N2CCCC2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000917049249 1068186095 /nfs/dbraw/zinc/18/60/95/1068186095.db2.gz QVLTZVQBMPYRJK-UHFFFAOYSA-N 0 0 461.582 0.909 20 10 JCCDRN NS(=O)(=O)c1ccc(N2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 ZINC000917054958 1068188125 /nfs/dbraw/zinc/18/81/25/1068188125.db2.gz HMHGASYHUMYNEC-UHFFFAOYSA-N 0 0 491.589 0.748 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(C(=O)C(=O)NC4CC4)CC3)cc2F)C[C@H](C)O1 ZINC000917059300 1068187621 /nfs/dbraw/zinc/18/76/21/1068187621.db2.gz QARMZSYIJKRJBQ-CALCHBBNSA-N 0 0 475.565 0.478 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(C(=O)C(=O)NC4CC4)CC3)cc2F)C[C@@H](C)O1 ZINC000917059301 1068187573 /nfs/dbraw/zinc/18/75/73/1068187573.db2.gz QARMZSYIJKRJBQ-IAGOWNOFSA-N 0 0 475.565 0.478 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(C(=O)C(=O)NC4CC4)CC3)cc2F)C[C@H](C)O1 ZINC000917059302 1068187462 /nfs/dbraw/zinc/18/74/62/1068187462.db2.gz QARMZSYIJKRJBQ-IRXDYDNUSA-N 0 0 475.565 0.478 20 10 JCCDRN O=C(CN1CCN(C(=O)C(=O)N2CCCC2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000917061156 1068188083 /nfs/dbraw/zinc/18/80/83/1068188083.db2.gz UBLFTTSFBBNOJC-UHFFFAOYSA-N 0 0 461.538 0.045 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(C(=O)C(=O)N4CCCC4)CC3)cc2F)C[C@H](C)O1 ZINC000917061196 1068188054 /nfs/dbraw/zinc/18/80/54/1068188054.db2.gz YDDRPZONYSIZLU-KDURUIRLSA-N 0 0 489.592 0.822 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(C(=O)C(=O)N4CCCC4)CC3)cc2F)C[C@H](C)O1 ZINC000917061201 1068188122 /nfs/dbraw/zinc/18/81/22/1068188122.db2.gz YDDRPZONYSIZLU-OALUTQOASA-N 0 0 489.592 0.822 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(C(=O)C(=O)N4CCCC4)CC3)cc2F)C[C@@H](C)O1 ZINC000917061203 1068188171 /nfs/dbraw/zinc/18/81/71/1068188171.db2.gz YDDRPZONYSIZLU-RTBURBONSA-N 0 0 489.592 0.822 20 10 JCCDRN CCNC(=O)CN1CCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 ZINC000917079872 1068191654 /nfs/dbraw/zinc/19/16/54/1068191654.db2.gz HLHYFZHRTMXYPF-UHFFFAOYSA-N 0 0 491.526 0.995 20 10 JCCDRN COc1ccc(N2CCCN(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000917089703 1068192603 /nfs/dbraw/zinc/19/26/03/1068192603.db2.gz GFXFKLSFNLHZGX-FQEVSTJZSA-N 0 0 450.605 0.539 20 10 JCCDRN COc1ccc(N2CCCN(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000917089704 1068192541 /nfs/dbraw/zinc/19/25/41/1068192541.db2.gz GFXFKLSFNLHZGX-HXUWFJFHSA-N 0 0 450.605 0.539 20 10 JCCDRN CNC(=O)CN1CCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 ZINC000917114619 1068197520 /nfs/dbraw/zinc/19/75/20/1068197520.db2.gz FLHCQGUJTNSNGY-UHFFFAOYSA-N 0 0 477.499 0.605 20 10 JCCDRN Cn1c2nc(Cl)n(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2c(=O)n(C)c1=O ZINC000917167352 1068204563 /nfs/dbraw/zinc/20/45/63/1068204563.db2.gz FBADAXUETLKPQX-UHFFFAOYSA-N 0 0 464.885 0.379 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2F)C[C@H](C)O1 ZINC000917172447 1068208333 /nfs/dbraw/zinc/20/83/33/1068208333.db2.gz KHINONJQIWPDEN-KBPBESRZSA-N 0 0 458.494 0.503 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2F)C[C@H](C)O1 ZINC000917172448 1068208101 /nfs/dbraw/zinc/20/81/01/1068208101.db2.gz KHINONJQIWPDEN-OKILXGFUSA-N 0 0 458.494 0.503 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2F)C[C@@H](C)O1 ZINC000917172449 1068208270 /nfs/dbraw/zinc/20/82/70/1068208270.db2.gz KHINONJQIWPDEN-ZIAGYGMSSA-N 0 0 458.494 0.503 20 10 JCCDRN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000917183519 1068206152 /nfs/dbraw/zinc/20/61/52/1068206152.db2.gz KSWRIJFIBVCSKM-UHFFFAOYSA-N 0 0 478.546 0.925 20 10 JCCDRN CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000917186890 1068206668 /nfs/dbraw/zinc/20/66/68/1068206668.db2.gz PIJYYJZOSVFFAG-UHFFFAOYSA-N 0 0 452.508 0.391 20 10 JCCDRN NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000917207649 1068211124 /nfs/dbraw/zinc/21/11/24/1068211124.db2.gz LBTUPJMKUMNFHS-UHFFFAOYSA-N 0 0 468.463 0.913 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)cc2F)C[C@H](C)O1 ZINC000917209650 1068211708 /nfs/dbraw/zinc/21/17/08/1068211708.db2.gz VZHYYTXFPPYYCQ-BETUJISGSA-N 0 0 461.450 0.925 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)cc2F)C[C@@H](C)O1 ZINC000917209651 1068211601 /nfs/dbraw/zinc/21/16/01/1068211601.db2.gz VZHYYTXFPPYYCQ-CHWSQXEVSA-N 0 0 461.450 0.925 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)cc2F)C[C@H](C)O1 ZINC000917209652 1068211480 /nfs/dbraw/zinc/21/14/80/1068211480.db2.gz VZHYYTXFPPYYCQ-STQMWFEESA-N 0 0 461.450 0.925 20 10 JCCDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)CC1 ZINC000917216724 1068213717 /nfs/dbraw/zinc/21/37/17/1068213717.db2.gz NBRVUJVICNSTNP-UHFFFAOYSA-N 0 0 478.505 0.433 20 10 JCCDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC000917219817 1068214327 /nfs/dbraw/zinc/21/43/27/1068214327.db2.gz POLDTKFCYJESML-UHFFFAOYSA-N 0 0 463.490 0.851 20 10 JCCDRN O=C(Cn1cnc([N+](=O)[O-])n1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000917254384 1068227702 /nfs/dbraw/zinc/22/77/02/1068227702.db2.gz RYWUUAWFWJKLNV-AWNIVKPZSA-N 0 0 462.469 0.933 20 10 JCCDRN O=C(Cn1cnc([N+](=O)[O-])n1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000917254385 1068227913 /nfs/dbraw/zinc/22/79/13/1068227913.db2.gz RYWUUAWFWJKLNV-MLPAPPSSSA-N 0 0 462.469 0.933 20 10 JCCDRN Cn1cc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 ZINC000917381154 1068253574 /nfs/dbraw/zinc/25/35/74/1068253574.db2.gz WWJNLMFMHMMBKE-UHFFFAOYSA-N 0 0 461.466 0.870 20 10 JCCDRN CCNC(=O)CN(C)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000917402623 1068258607 /nfs/dbraw/zinc/25/86/07/1068258607.db2.gz BKKNOPDHZUUCHZ-CXUHLZMHSA-N 0 0 464.569 0.801 20 10 JCCDRN CCNC(=O)CN(C)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000917402625 1068258816 /nfs/dbraw/zinc/25/88/16/1068258816.db2.gz BKKNOPDHZUUCHZ-SXGWCWSVSA-N 0 0 464.569 0.801 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CON=C(N)C3=C(N)C4(CCCC4)N(C)C3=O)CC2)cc1 ZINC000917411749 1068259930 /nfs/dbraw/zinc/25/99/30/1068259930.db2.gz AQBDWGFFMMJRCT-UHFFFAOYSA-N 0 0 456.547 0.840 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(S(=O)(=O)N(C)C)o3)CC2)cc1 ZINC000917646856 1068297210 /nfs/dbraw/zinc/29/72/10/1068297210.db2.gz KJWQWTVBZBNKLU-UHFFFAOYSA-N 0 0 485.584 0.802 20 10 JCCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000917707530 1068303874 /nfs/dbraw/zinc/30/38/74/1068303874.db2.gz LRBWPSFSXQLZLN-HNNXBMFYSA-N 0 0 452.508 0.444 20 10 JCCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000917707531 1068304108 /nfs/dbraw/zinc/30/41/08/1068304108.db2.gz LRBWPSFSXQLZLN-OAHLLOKOSA-N 0 0 452.508 0.444 20 10 JCCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000917708660 1068303944 /nfs/dbraw/zinc/30/39/44/1068303944.db2.gz MQYHUOGIGNOZLO-UHFFFAOYSA-N 0 0 476.530 0.713 20 10 JCCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000917708687 1068304165 /nfs/dbraw/zinc/30/41/65/1068304165.db2.gz NMSQBYLNDZEIRZ-UHFFFAOYSA-N 0 0 476.530 0.713 20 10 JCCDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000917708901 1068303994 /nfs/dbraw/zinc/30/39/94/1068303994.db2.gz LXMQMEDLKDEKQD-UHFFFAOYSA-N 0 0 466.535 0.952 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)cc2F)C[C@H](C)O1 ZINC000917709125 1068303913 /nfs/dbraw/zinc/30/39/13/1068303913.db2.gz DRLMGQSHATYEPK-GASCZTMLSA-N 0 0 472.521 0.893 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)cc2F)C[C@H](C)O1 ZINC000917709130 1068304347 /nfs/dbraw/zinc/30/43/47/1068304347.db2.gz DRLMGQSHATYEPK-GJZGRUSLSA-N 0 0 472.521 0.893 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)cc2F)C[C@@H](C)O1 ZINC000917709134 1068304665 /nfs/dbraw/zinc/30/46/65/1068304665.db2.gz DRLMGQSHATYEPK-HUUCEWRRSA-N 0 0 472.521 0.893 20 10 JCCDRN COc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000917731499 1068306544 /nfs/dbraw/zinc/30/65/44/1068306544.db2.gz CTYHKZUTYNSDFD-GOSISDBHSA-N 0 0 468.513 0.922 20 10 JCCDRN COc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1[C@]1(C)NC(=O)NC1=O ZINC000917731500 1068306416 /nfs/dbraw/zinc/30/64/16/1068306416.db2.gz CTYHKZUTYNSDFD-SFHVURJKSA-N 0 0 468.513 0.922 20 10 JCCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1OC ZINC000917758242 1068307622 /nfs/dbraw/zinc/30/76/22/1068307622.db2.gz MRGAQZZTLIXMHI-UHFFFAOYSA-N 0 0 454.486 0.787 20 10 JCCDRN COc1ccc(N2CCN(C(=O)CNc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)cc1 ZINC000917815677 1068314794 /nfs/dbraw/zinc/31/47/94/1068314794.db2.gz LYMLCKSCURDRIP-UHFFFAOYSA-N 0 0 487.582 0.576 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)cc2)C1 ZINC000917832421 1068316192 /nfs/dbraw/zinc/31/61/92/1068316192.db2.gz YPGNGYZOXOGOND-AEFFLSMTSA-N 0 0 475.571 0.170 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)cc2)C1 ZINC000917832422 1068316122 /nfs/dbraw/zinc/31/61/22/1068316122.db2.gz YPGNGYZOXOGOND-FUHWJXTLSA-N 0 0 475.571 0.170 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)cc2)C1 ZINC000917832423 1068315969 /nfs/dbraw/zinc/31/59/69/1068315969.db2.gz YPGNGYZOXOGOND-SJLPKXTDSA-N 0 0 475.571 0.170 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)cc2)C1 ZINC000917832424 1068316140 /nfs/dbraw/zinc/31/61/40/1068316140.db2.gz YPGNGYZOXOGOND-WMZOPIPTSA-N 0 0 475.571 0.170 20 10 JCCDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000917833186 1068315912 /nfs/dbraw/zinc/31/59/12/1068315912.db2.gz NWAJWAVDRGWNRP-GOSISDBHSA-N 0 0 489.598 0.678 20 10 JCCDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000917833188 1068316004 /nfs/dbraw/zinc/31/60/04/1068316004.db2.gz NWAJWAVDRGWNRP-SFHVURJKSA-N 0 0 489.598 0.678 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)cc2)C1 ZINC000917833569 1068315835 /nfs/dbraw/zinc/31/58/35/1068315835.db2.gz BETRYVZGMSCEJJ-KRWDZBQOSA-N 0 0 476.555 0.932 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)cc2)C1 ZINC000917833570 1068315930 /nfs/dbraw/zinc/31/59/30/1068315930.db2.gz BETRYVZGMSCEJJ-QGZVFWFLSA-N 0 0 476.555 0.932 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)cc2)C1 ZINC000917833615 1068316108 /nfs/dbraw/zinc/31/61/08/1068316108.db2.gz CYHYCFJEUXQTES-IBGZPJMESA-N 0 0 499.593 0.439 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)cc2)C1 ZINC000917833616 1068316091 /nfs/dbraw/zinc/31/60/91/1068316091.db2.gz CYHYCFJEUXQTES-LJQANCHMSA-N 0 0 499.593 0.439 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)cc2)C1 ZINC000917834634 1068316173 /nfs/dbraw/zinc/31/61/73/1068316173.db2.gz LTWLEBUAGYAHQA-IBGZPJMESA-N 0 0 499.593 0.439 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)cc2)C1 ZINC000917834635 1068315987 /nfs/dbraw/zinc/31/59/87/1068315987.db2.gz LTWLEBUAGYAHQA-LJQANCHMSA-N 0 0 499.593 0.439 20 10 JCCDRN Cn1c2ncc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2c(=O)n(C)c1=O ZINC000917834792 1068315894 /nfs/dbraw/zinc/31/58/94/1068315894.db2.gz QEQMPYNOIFOINU-HNNXBMFYSA-N 0 0 450.499 0.264 20 10 JCCDRN Cn1c2ncc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2c(=O)n(C)c1=O ZINC000917834793 1068315857 /nfs/dbraw/zinc/31/58/57/1068315857.db2.gz QEQMPYNOIFOINU-OAHLLOKOSA-N 0 0 450.499 0.264 20 10 JCCDRN Cn1c2nc(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)ccc2c(=O)n(C)c1=O ZINC000917834934 1068315876 /nfs/dbraw/zinc/31/58/76/1068315876.db2.gz UVDUEAVBBNTQQU-HNNXBMFYSA-N 0 0 450.499 0.264 20 10 JCCDRN Cn1c2nc(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)ccc2c(=O)n(C)c1=O ZINC000917834935 1068316027 /nfs/dbraw/zinc/31/60/27/1068316027.db2.gz UVDUEAVBBNTQQU-OAHLLOKOSA-N 0 0 450.499 0.264 20 10 JCCDRN Cn1cc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(=O)n(C)c1=O ZINC000917911673 1068334246 /nfs/dbraw/zinc/33/42/46/1068334246.db2.gz IHSXNAYBFCBJQE-UHFFFAOYSA-N 0 0 462.450 0.418 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2)C1 ZINC000917929934 1068338505 /nfs/dbraw/zinc/33/85/05/1068338505.db2.gz JRMQQAOYRWZVOP-HNNXBMFYSA-N 0 0 452.558 0.514 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2)C1 ZINC000917929935 1068338603 /nfs/dbraw/zinc/33/86/03/1068338603.db2.gz JRMQQAOYRWZVOP-OAHLLOKOSA-N 0 0 452.558 0.514 20 10 JCCDRN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000917929965 1068338540 /nfs/dbraw/zinc/33/85/40/1068338540.db2.gz LBPPKLNRTVOODK-MSOLQXFVSA-N 0 0 452.577 0.998 20 10 JCCDRN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000917929966 1068338620 /nfs/dbraw/zinc/33/86/20/1068338620.db2.gz LBPPKLNRTVOODK-QZTJIDSGSA-N 0 0 452.577 0.998 20 10 JCCDRN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000917929967 1068338570 /nfs/dbraw/zinc/33/85/70/1068338570.db2.gz LBPPKLNRTVOODK-ROUUACIJSA-N 0 0 452.577 0.998 20 10 JCCDRN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000917929968 1068338533 /nfs/dbraw/zinc/33/85/33/1068338533.db2.gz LBPPKLNRTVOODK-ZWKOTPCHSA-N 0 0 452.577 0.998 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2)C1 ZINC000917930282 1068338551 /nfs/dbraw/zinc/33/85/51/1068338551.db2.gz PJCPIGXCKYDFHK-AWEZNQCLSA-N 0 0 457.512 0.397 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2)C1 ZINC000917930283 1068338584 /nfs/dbraw/zinc/33/85/84/1068338584.db2.gz PJCPIGXCKYDFHK-CQSZACIVSA-N 0 0 457.512 0.397 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)cc2)C1 ZINC000917930468 1068338757 /nfs/dbraw/zinc/33/87/57/1068338757.db2.gz SFNUAFVCEIWXHF-HNNXBMFYSA-N 0 0 452.558 0.514 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)cc2)C1 ZINC000917930470 1068338513 /nfs/dbraw/zinc/33/85/13/1068338513.db2.gz SFNUAFVCEIWXHF-OAHLLOKOSA-N 0 0 452.558 0.514 20 10 JCCDRN CCOC(=O)C1CCN(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000917930510 1068339063 /nfs/dbraw/zinc/33/90/63/1068339063.db2.gz SYSNSKDHJUFRGE-GOSISDBHSA-N 0 0 452.577 0.998 20 10 JCCDRN CCOC(=O)C1CCN(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000917930512 1068338982 /nfs/dbraw/zinc/33/89/82/1068338982.db2.gz SYSNSKDHJUFRGE-SFHVURJKSA-N 0 0 452.577 0.998 20 10 JCCDRN CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000917930891 1068339188 /nfs/dbraw/zinc/33/91/88/1068339188.db2.gz YYJLLPNVEYPUFQ-INIZCTEOSA-N 0 0 466.585 0.775 20 10 JCCDRN CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000917930895 1068339095 /nfs/dbraw/zinc/33/90/95/1068339095.db2.gz YYJLLPNVEYPUFQ-MRXNPFEDSA-N 0 0 466.585 0.775 20 10 JCCDRN Cn1c2ncc(NC(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2c(=O)n(C)c1=O ZINC000918035811 1068352204 /nfs/dbraw/zinc/35/22/04/1068352204.db2.gz HMCIADQCWIKNHX-HNNXBMFYSA-N 0 0 465.514 0.656 20 10 JCCDRN Cn1c2ncc(NC(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2c(=O)n(C)c1=O ZINC000918035816 1068352242 /nfs/dbraw/zinc/35/22/42/1068352242.db2.gz HMCIADQCWIKNHX-OAHLLOKOSA-N 0 0 465.514 0.656 20 10 JCCDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000918116796 1068361429 /nfs/dbraw/zinc/36/14/29/1068361429.db2.gz AKBDXHGJJRURQA-GOSISDBHSA-N 0 0 458.563 0.267 20 10 JCCDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000918116797 1068361400 /nfs/dbraw/zinc/36/14/00/1068361400.db2.gz AKBDXHGJJRURQA-SFHVURJKSA-N 0 0 458.563 0.267 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)CN4CCOCC4)CC3)cc2)C1 ZINC000918117351 1068361188 /nfs/dbraw/zinc/36/11/88/1068361188.db2.gz CODFRSOCPXGNFK-FQEVSTJZSA-N 0 0 472.590 0.074 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)CN4CCOCC4)CC3)cc2)C1 ZINC000918117356 1068361417 /nfs/dbraw/zinc/36/14/17/1068361417.db2.gz CODFRSOCPXGNFK-HXUWFJFHSA-N 0 0 472.590 0.074 20 10 JCCDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000918117386 1068361173 /nfs/dbraw/zinc/36/11/73/1068361173.db2.gz DGIOXKBGKLROLR-IBGZPJMESA-N 0 0 480.635 0.802 20 10 JCCDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000918117387 1068361318 /nfs/dbraw/zinc/36/13/18/1068361318.db2.gz DGIOXKBGKLROLR-LJQANCHMSA-N 0 0 480.635 0.802 20 10 JCCDRN CN(C)S(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000918117612 1068361277 /nfs/dbraw/zinc/36/12/77/1068361277.db2.gz OFPVJYHEZIPSMF-KRWDZBQOSA-N 0 0 452.581 0.022 20 10 JCCDRN CN(C)S(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000918117613 1068361143 /nfs/dbraw/zinc/36/11/43/1068361143.db2.gz OFPVJYHEZIPSMF-QGZVFWFLSA-N 0 0 452.581 0.022 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)cc2)C1 ZINC000918117871 1068361227 /nfs/dbraw/zinc/36/12/27/1068361227.db2.gz ROOHBTLJVZAYJM-NRFANRHFSA-N 0 0 492.580 0.960 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)cc2)C1 ZINC000918117872 1068361388 /nfs/dbraw/zinc/36/13/88/1068361388.db2.gz ROOHBTLJVZAYJM-OAQYLSRUSA-N 0 0 492.580 0.960 20 10 JCCDRN NC(=O)c1ccc(N2CCN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)nc1 ZINC000918118068 1068361375 /nfs/dbraw/zinc/36/13/75/1068361375.db2.gz URRCKEZGGQDEBR-IBGZPJMESA-N 0 0 465.558 0.914 20 10 JCCDRN NC(=O)c1ccc(N2CCN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)nc1 ZINC000918118069 1068361327 /nfs/dbraw/zinc/36/13/27/1068361327.db2.gz URRCKEZGGQDEBR-LJQANCHMSA-N 0 0 465.558 0.914 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(CC(=O)N4CCCC4)CC3)cc2)C1 ZINC000918118392 1068361876 /nfs/dbraw/zinc/36/18/76/1068361876.db2.gz QPWMHAUGLXYZAM-FQEVSTJZSA-N 0 0 456.591 0.838 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(CC(=O)N4CCCC4)CC3)cc2)C1 ZINC000918118393 1068361918 /nfs/dbraw/zinc/36/19/18/1068361918.db2.gz QPWMHAUGLXYZAM-HXUWFJFHSA-N 0 0 456.591 0.838 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCCn3nc4n(c3=O)CCCC4)cc2)C1 ZINC000918120700 1068361979 /nfs/dbraw/zinc/36/19/79/1068361979.db2.gz BNJBYNPDHFFSMB-GOSISDBHSA-N 0 0 455.563 0.972 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCCn3nc4n(c3=O)CCCC4)cc2)C1 ZINC000918120703 1068361652 /nfs/dbraw/zinc/36/16/52/1068361652.db2.gz BNJBYNPDHFFSMB-SFHVURJKSA-N 0 0 455.563 0.972 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)cc2)C1 ZINC000918121809 1068361733 /nfs/dbraw/zinc/36/17/33/1068361733.db2.gz IDGZFQABHQZCTJ-IBGZPJMESA-N 0 0 470.574 0.365 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)cc2)C1 ZINC000918121812 1068361770 /nfs/dbraw/zinc/36/17/70/1068361770.db2.gz IDGZFQABHQZCTJ-LJQANCHMSA-N 0 0 470.574 0.365 20 10 JCCDRN CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000918122469 1068361777 /nfs/dbraw/zinc/36/17/77/1068361777.db2.gz LJHIOCINFNUHSH-MSOLQXFVSA-N 0 0 451.593 0.859 20 10 JCCDRN CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000918122471 1068361699 /nfs/dbraw/zinc/36/16/99/1068361699.db2.gz LJHIOCINFNUHSH-QZTJIDSGSA-N 0 0 451.593 0.859 20 10 JCCDRN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000918122473 1068361959 /nfs/dbraw/zinc/36/19/59/1068361959.db2.gz LJHIOCINFNUHSH-ROUUACIJSA-N 0 0 451.593 0.859 20 10 JCCDRN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000918122475 1068361713 /nfs/dbraw/zinc/36/17/13/1068361713.db2.gz LJHIOCINFNUHSH-ZWKOTPCHSA-N 0 0 451.593 0.859 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cc2)C1 ZINC000918123363 1068361836 /nfs/dbraw/zinc/36/18/36/1068361836.db2.gz VHOPBSJZTNQQTH-KRWDZBQOSA-N 0 0 456.547 0.021 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cc2)C1 ZINC000918123364 1068361637 /nfs/dbraw/zinc/36/16/37/1068361637.db2.gz VHOPBSJZTNQQTH-QGZVFWFLSA-N 0 0 456.547 0.021 20 10 JCCDRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000918141559 1068366002 /nfs/dbraw/zinc/36/60/02/1068366002.db2.gz ZVHCQMFDKHSMJM-UHFFFAOYSA-N 0 0 478.546 0.959 20 10 JCCDRN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)o1 ZINC000918214846 1068370602 /nfs/dbraw/zinc/37/06/02/1068370602.db2.gz MCYFKFPBEDIWAM-UHFFFAOYSA-N 0 0 495.533 0.570 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2F)C[C@@H](C)O1 ZINC000918215250 1068370711 /nfs/dbraw/zinc/37/07/11/1068370711.db2.gz ZKYXMGKRFSIDKE-BFYDXBDKSA-N 0 0 470.567 0.932 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2F)C[C@H](C)O1 ZINC000918215251 1068370407 /nfs/dbraw/zinc/37/04/07/1068370407.db2.gz ZKYXMGKRFSIDKE-HLLBOEOZSA-N 0 0 470.567 0.932 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)cc2F)C[C@@H](C)O1 ZINC000918215252 1068370503 /nfs/dbraw/zinc/37/05/03/1068370503.db2.gz ZKYXMGKRFSIDKE-INMHGKMJSA-N 0 0 470.567 0.932 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)cc2F)C[C@H](C)O1 ZINC000918215253 1068370552 /nfs/dbraw/zinc/37/05/52/1068370552.db2.gz ZKYXMGKRFSIDKE-UXLLHSPISA-N 0 0 470.567 0.932 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cc2F)C[C@H](C)O1 ZINC000918219962 1068372703 /nfs/dbraw/zinc/37/27/03/1068372703.db2.gz FHUDQAYMVFYRLN-HDICACEKSA-N 0 0 491.564 0.652 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cc2F)C[C@@H](C)O1 ZINC000918219963 1068372629 /nfs/dbraw/zinc/37/26/29/1068372629.db2.gz FHUDQAYMVFYRLN-QZTJIDSGSA-N 0 0 491.564 0.652 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cc2F)C[C@H](C)O1 ZINC000918219964 1068372532 /nfs/dbraw/zinc/37/25/32/1068372532.db2.gz FHUDQAYMVFYRLN-ROUUACIJSA-N 0 0 491.564 0.652 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)cc2F)C[C@H](C)O1 ZINC000918220156 1068372757 /nfs/dbraw/zinc/37/27/57/1068372757.db2.gz HILMHDZFEJELHR-HDICACEKSA-N 0 0 499.609 0.844 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)cc2F)C[C@@H](C)O1 ZINC000918220157 1068372422 /nfs/dbraw/zinc/37/24/22/1068372422.db2.gz HILMHDZFEJELHR-QZTJIDSGSA-N 0 0 499.609 0.844 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)cc2F)C[C@H](C)O1 ZINC000918220158 1068372689 /nfs/dbraw/zinc/37/26/89/1068372689.db2.gz HILMHDZFEJELHR-ROUUACIJSA-N 0 0 499.609 0.844 20 10 JCCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000918220389 1068372731 /nfs/dbraw/zinc/37/27/31/1068372731.db2.gz DBOSSPWDSWXYOW-UHFFFAOYSA-N 0 0 461.538 0.763 20 10 JCCDRN O=C(CN1CCOCC1)N1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000918220390 1068372744 /nfs/dbraw/zinc/37/27/44/1068372744.db2.gz DGYBREXTZGLDMJ-UHFFFAOYSA-N 0 0 463.554 0.473 20 10 JCCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000918220997 1068372717 /nfs/dbraw/zinc/37/27/17/1068372717.db2.gz PKXFFMWZNFHYIC-UHFFFAOYSA-N 0 0 485.582 0.191 20 10 JCCDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)CC2)CC1 ZINC000918221270 1068373119 /nfs/dbraw/zinc/37/31/19/1068373119.db2.gz SZMWXGVIHMMJOO-UHFFFAOYSA-N 0 0 498.625 0.106 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)cc2F)C[C@H](C)O1 ZINC000918222217 1068373297 /nfs/dbraw/zinc/37/32/97/1068373297.db2.gz UPGLSNYTPVFLDR-HOTGVXAUSA-N 0 0 460.514 0.480 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)cc2F)C[C@@H](C)O1 ZINC000918222236 1068373395 /nfs/dbraw/zinc/37/33/95/1068373395.db2.gz UPGLSNYTPVFLDR-HZPDHXFCSA-N 0 0 460.514 0.480 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)cc2F)C[C@H](C)O1 ZINC000918222240 1068373059 /nfs/dbraw/zinc/37/30/59/1068373059.db2.gz UPGLSNYTPVFLDR-IYBDPMFKSA-N 0 0 460.514 0.480 20 10 JCCDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)C[C@H](C)O1 ZINC000918223655 1068373151 /nfs/dbraw/zinc/37/31/51/1068373151.db2.gz HBOIXQFZIVCWCU-HDICACEKSA-N 0 0 499.609 0.844 20 10 JCCDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)C[C@@H](C)O1 ZINC000918223658 1068373431 /nfs/dbraw/zinc/37/34/31/1068373431.db2.gz HBOIXQFZIVCWCU-QZTJIDSGSA-N 0 0 499.609 0.844 20 10 JCCDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)C[C@H](C)O1 ZINC000918223661 1068373385 /nfs/dbraw/zinc/37/33/85/1068373385.db2.gz HBOIXQFZIVCWCU-ROUUACIJSA-N 0 0 499.609 0.844 20 10 JCCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000918223980 1068373101 /nfs/dbraw/zinc/37/31/01/1068373101.db2.gz MFJLQYXRYYOJIN-UHFFFAOYSA-N 0 0 471.555 0.067 20 10 JCCDRN CCN(CC)c1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 ZINC000918228913 1068370472 /nfs/dbraw/zinc/37/04/72/1068370472.db2.gz RJRHDSFUIBTWTG-UHFFFAOYSA-N 0 0 452.625 0.852 20 10 JCCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000918245681 1068374798 /nfs/dbraw/zinc/37/47/98/1068374798.db2.gz AZSICRGBSCJUIV-UHFFFAOYSA-N 0 0 459.528 0.128 20 10 JCCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000918267674 1068392407 /nfs/dbraw/zinc/39/24/07/1068392407.db2.gz XYBZRDSGGXQWIY-UHFFFAOYSA-N 0 0 485.566 0.662 20 10 JCCDRN NC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 ZINC000918276613 1068386856 /nfs/dbraw/zinc/38/68/56/1068386856.db2.gz FEKSCHYKNIEION-UHFFFAOYSA-N 0 0 454.409 0.479 20 10 JCCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000918284395 1068389576 /nfs/dbraw/zinc/38/95/76/1068389576.db2.gz FBMDBFHOHAAXKD-UHFFFAOYSA-N 0 0 456.478 0.248 20 10 JCCDRN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000918284416 1068389440 /nfs/dbraw/zinc/38/94/40/1068389440.db2.gz GBBOQEVICJTSIE-UHFFFAOYSA-N 0 0 472.473 0.820 20 10 JCCDRN COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1OCC(N)=O ZINC000918284580 1068390039 /nfs/dbraw/zinc/39/00/39/1068390039.db2.gz JYIQFHPZRJDWRB-UHFFFAOYSA-N 0 0 460.462 0.790 20 10 JCCDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc2O1 ZINC000918284654 1068390199 /nfs/dbraw/zinc/39/01/99/1068390199.db2.gz MPOXWLSVBYIISV-FQEVSTJZSA-N 0 0 456.474 0.819 20 10 JCCDRN CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc2O1 ZINC000918284655 1068390084 /nfs/dbraw/zinc/39/00/84/1068390084.db2.gz MPOXWLSVBYIISV-HXUWFJFHSA-N 0 0 456.474 0.819 20 10 JCCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000918284928 1068390021 /nfs/dbraw/zinc/39/00/21/1068390021.db2.gz VGQQGMQJVCSMJJ-UHFFFAOYSA-N 0 0 455.490 0.853 20 10 JCCDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000918285109 1068390145 /nfs/dbraw/zinc/39/01/45/1068390145.db2.gz YPSPJJYVPGYDIV-UHFFFAOYSA-N 0 0 486.500 0.749 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)cc2F)C[C@H](C)O1 ZINC000918285934 1068390349 /nfs/dbraw/zinc/39/03/49/1068390349.db2.gz BXACYCNRRLMXAD-GASCZTMLSA-N 0 0 485.516 0.909 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)cc2F)C[C@H](C)O1 ZINC000918285935 1068390397 /nfs/dbraw/zinc/39/03/97/1068390397.db2.gz BXACYCNRRLMXAD-GJZGRUSLSA-N 0 0 485.516 0.909 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)cc2F)C[C@@H](C)O1 ZINC000918285936 1068390501 /nfs/dbraw/zinc/39/05/01/1068390501.db2.gz BXACYCNRRLMXAD-HUUCEWRRSA-N 0 0 485.516 0.909 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)cc2F)C[C@H](C)O1 ZINC000918288166 1068391133 /nfs/dbraw/zinc/39/11/33/1068391133.db2.gz UJWMHKQUOSGMPF-KBPBESRZSA-N 0 0 498.515 0.640 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)cc2F)C[C@H](C)O1 ZINC000918288171 1068390844 /nfs/dbraw/zinc/39/08/44/1068390844.db2.gz UJWMHKQUOSGMPF-OKILXGFUSA-N 0 0 498.515 0.640 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)cc2F)C[C@@H](C)O1 ZINC000918288172 1068390933 /nfs/dbraw/zinc/39/09/33/1068390933.db2.gz UJWMHKQUOSGMPF-ZIAGYGMSSA-N 0 0 498.515 0.640 20 10 JCCDRN NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000918294830 1068401309 /nfs/dbraw/zinc/40/13/09/1068401309.db2.gz KGPOZBXAZLHVIJ-GOSISDBHSA-N 0 0 454.483 0.754 20 10 JCCDRN NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000918294831 1068401461 /nfs/dbraw/zinc/40/14/61/1068401461.db2.gz KGPOZBXAZLHVIJ-SFHVURJKSA-N 0 0 454.483 0.754 20 10 JCCDRN Cn1c(=O)c2cc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cnc2n(C)c1=O ZINC000918296741 1068401925 /nfs/dbraw/zinc/40/19/25/1068401925.db2.gz KQFSYPMTWQVOBD-INIZCTEOSA-N 0 0 467.482 0.484 20 10 JCCDRN Cn1c(=O)c2cc(NC(=O)C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cnc2n(C)c1=O ZINC000918296742 1068401944 /nfs/dbraw/zinc/40/19/44/1068401944.db2.gz KQFSYPMTWQVOBD-MRXNPFEDSA-N 0 0 467.482 0.484 20 10 JCCDRN O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000918296801 1068401825 /nfs/dbraw/zinc/40/18/25/1068401825.db2.gz MQPWFBXVPVOGCU-GOSISDBHSA-N 0 0 453.499 0.870 20 10 JCCDRN O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000918296802 1068401832 /nfs/dbraw/zinc/40/18/32/1068401832.db2.gz MQPWFBXVPVOGCU-SFHVURJKSA-N 0 0 453.499 0.870 20 10 JCCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000918305848 1068393839 /nfs/dbraw/zinc/39/38/39/1068393839.db2.gz MSBUKVMHWMGQHQ-UHFFFAOYSA-N 0 0 473.555 0.470 20 10 JCCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000918307433 1068394392 /nfs/dbraw/zinc/39/43/92/1068394392.db2.gz WVPYHUGOZJKWFO-UHFFFAOYSA-N 0 0 487.582 0.860 20 10 JCCDRN COc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OCC(N)=O ZINC000918311689 1068395641 /nfs/dbraw/zinc/39/56/41/1068395641.db2.gz ULLMFSYTHQTNGA-UHFFFAOYSA-N 0 0 456.499 0.993 20 10 JCCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000918311699 1068395920 /nfs/dbraw/zinc/39/59/20/1068395920.db2.gz UMSRIAUHUMNUHM-UHFFFAOYSA-N 0 0 452.515 0.452 20 10 JCCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000918311797 1068395830 /nfs/dbraw/zinc/39/58/30/1068395830.db2.gz VNBPVNNBRHRAHP-UHFFFAOYSA-N 0 0 466.498 0.066 20 10 JCCDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000918312021 1068395967 /nfs/dbraw/zinc/39/59/67/1068395967.db2.gz YYTMEZJJRIWAMY-UHFFFAOYSA-N 0 0 482.537 0.952 20 10 JCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000918333982 1068404837 /nfs/dbraw/zinc/40/48/37/1068404837.db2.gz DTGJGVIYFISNDM-UHFFFAOYSA-N 0 0 493.607 0.872 20 10 JCCDRN CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000918333986 1068404775 /nfs/dbraw/zinc/40/47/75/1068404775.db2.gz FALOCFSBVNOIOV-UHFFFAOYSA-N 0 0 479.580 0.719 20 10 JCCDRN COc1cc(OC)cc(C(=O)NCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000918334350 1068404785 /nfs/dbraw/zinc/40/47/85/1068404785.db2.gz FMQJUIFSLIOYSG-UHFFFAOYSA-N 0 0 461.540 0.985 20 10 JCCDRN CCn1c2ccc(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)cc2[nH]c(=O)c1=O ZINC000918334379 1068404843 /nfs/dbraw/zinc/40/48/43/1068404843.db2.gz FSTVRQURUYCQFB-UHFFFAOYSA-N 0 0 456.524 0.875 20 10 JCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000918334381 1068404835 /nfs/dbraw/zinc/40/48/35/1068404835.db2.gz FXVLATZPUZTQLW-UHFFFAOYSA-N 0 0 450.542 0.035 20 10 JCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000918334588 1068405298 /nfs/dbraw/zinc/40/52/98/1068405298.db2.gz IVVGVHQYEOAKRA-UHFFFAOYSA-N 0 0 493.607 0.872 20 10 JCCDRN O=C(CCNS(=O)(=O)c1ccccc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918334953 1068405443 /nfs/dbraw/zinc/40/54/43/1068405443.db2.gz JABPZTQRMUHMLF-UHFFFAOYSA-N 0 0 451.570 0.906 20 10 JCCDRN COc1cc(C(=O)NCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc(OC)c1OC ZINC000918335038 1068405500 /nfs/dbraw/zinc/40/55/00/1068405500.db2.gz KTCBELAELDKPMR-UHFFFAOYSA-N 0 0 491.566 0.993 20 10 JCCDRN O=C(CCNS(=O)(=O)c1cccs1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918335577 1068405512 /nfs/dbraw/zinc/40/55/12/1068405512.db2.gz QPZDZJZJSJSZMT-UHFFFAOYSA-N 0 0 457.599 0.968 20 10 JCCDRN COc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1[N+](=O)[O-] ZINC000918335685 1068406040 /nfs/dbraw/zinc/40/60/40/1068406040.db2.gz RRMUXWIXVJXROG-UHFFFAOYSA-N 0 0 476.511 0.884 20 10 JCCDRN NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000918335756 1068406010 /nfs/dbraw/zinc/40/60/10/1068406010.db2.gz SAUVKUJAPJGPSI-UHFFFAOYSA-N 0 0 451.570 0.818 20 10 JCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000918336060 1068406142 /nfs/dbraw/zinc/40/61/42/1068406142.db2.gz UGDLEUZLNFEPNL-UHFFFAOYSA-N 0 0 456.524 0.903 20 10 JCCDRN Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918336147 1068406122 /nfs/dbraw/zinc/40/61/22/1068406122.db2.gz WJKUUIKJVWROKB-UHFFFAOYSA-N 0 0 457.560 0.807 20 10 JCCDRN COc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1OC ZINC000918336340 1068406202 /nfs/dbraw/zinc/40/62/02/1068406202.db2.gz XJDLNRGCVGPPFW-UHFFFAOYSA-N 0 0 461.540 0.985 20 10 JCCDRN CN(CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)S(=O)(=O)c1cccnc1 ZINC000918337008 1068406783 /nfs/dbraw/zinc/40/67/83/1068406783.db2.gz AVDKNZQIALOHOM-UHFFFAOYSA-N 0 0 452.558 0.253 20 10 JCCDRN CN(CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000918337201 1068406842 /nfs/dbraw/zinc/40/68/42/1068406842.db2.gz GAGYGDJZWPZDLP-UHFFFAOYSA-N 0 0 451.570 0.858 20 10 JCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000918337531 1068406752 /nfs/dbraw/zinc/40/67/52/1068406752.db2.gz MBSKLSFWFNZJGX-UHFFFAOYSA-N 0 0 483.568 0.465 20 10 JCCDRN COc1c(F)cc(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1S(N)(=O)=O ZINC000918337802 1068407680 /nfs/dbraw/zinc/40/76/80/1068407680.db2.gz OHTCTWVDVUVPBS-UHFFFAOYSA-N 0 0 485.559 0.575 20 10 JCCDRN O=C(CNC(=O)c1cnc2ccccc2c1O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918337837 1068407660 /nfs/dbraw/zinc/40/76/60/1068407660.db2.gz PFTVEFWHXDETAE-UHFFFAOYSA-N 0 0 468.535 0.809 20 10 JCCDRN Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918338164 1068407702 /nfs/dbraw/zinc/40/77/02/1068407702.db2.gz WGKYJFFJENVXHB-UHFFFAOYSA-N 0 0 484.582 0.929 20 10 JCCDRN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918338357 1068407536 /nfs/dbraw/zinc/40/75/36/1068407536.db2.gz RKHZCJFCIFAFPD-DEOSSOPVSA-N 0 0 482.562 0.931 20 10 JCCDRN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918338358 1068407568 /nfs/dbraw/zinc/40/75/68/1068407568.db2.gz RKHZCJFCIFAFPD-XMMPIXPASA-N 0 0 482.562 0.931 20 10 JCCDRN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918339001 1068408360 /nfs/dbraw/zinc/40/83/60/1068408360.db2.gz AKSLGLDOXNWTPC-UHFFFAOYSA-N 0 0 482.562 0.610 20 10 JCCDRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000918339096 1068408332 /nfs/dbraw/zinc/40/83/32/1068408332.db2.gz BROZLDTVBRKENK-INIZCTEOSA-N 0 0 481.596 0.913 20 10 JCCDRN COc1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc(OC)c1OCC(N)=O ZINC000918339219 1068408386 /nfs/dbraw/zinc/40/83/86/1068408386.db2.gz CGPBXGVJUBNWSX-UHFFFAOYSA-N 0 0 477.539 0.733 20 10 JCCDRN O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918340058 1068408287 /nfs/dbraw/zinc/40/82/87/1068408287.db2.gz KBCRWYUEOFUYBB-UHFFFAOYSA-N 0 0 471.333 0.263 20 10 JCCDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918340064 1068408214 /nfs/dbraw/zinc/40/82/14/1068408214.db2.gz KNCUOZZPPVNNCN-UHFFFAOYSA-N 0 0 474.495 0.871 20 10 JCCDRN CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1=O ZINC000918340095 1068408446 /nfs/dbraw/zinc/40/84/46/1068408446.db2.gz LASLIEINULKZSY-UHFFFAOYSA-N 0 0 470.551 0.734 20 10 JCCDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918340240 1068408424 /nfs/dbraw/zinc/40/84/24/1068408424.db2.gz NSCXAOYPURCVOT-UHFFFAOYSA-N 0 0 496.611 0.211 20 10 JCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000918340459 1068408415 /nfs/dbraw/zinc/40/84/15/1068408415.db2.gz ONVZNFLZNXFLAX-UHFFFAOYSA-N 0 0 450.542 0.035 20 10 JCCDRN COCCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000918340843 1068408372 /nfs/dbraw/zinc/40/83/72/1068408372.db2.gz WIVDPGKPMNMBCQ-UHFFFAOYSA-N 0 0 481.596 0.776 20 10 JCCDRN NC(=O)[C@@H]1CC(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)=NN1c1ccc(F)cc1 ZINC000918340856 1068408461 /nfs/dbraw/zinc/40/84/61/1068408461.db2.gz WTDNQEURYLHLND-FQEVSTJZSA-N 0 0 473.530 0.797 20 10 JCCDRN NC(=O)[C@H]1CC(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)=NN1c1ccc(F)cc1 ZINC000918340857 1068408268 /nfs/dbraw/zinc/40/82/68/1068408268.db2.gz WTDNQEURYLHLND-HXUWFJFHSA-N 0 0 473.530 0.797 20 10 JCCDRN CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000918340884 1068408403 /nfs/dbraw/zinc/40/84/03/1068408403.db2.gz XGLQNMGOHBQGOF-UHFFFAOYSA-N 0 0 465.597 0.943 20 10 JCCDRN O=C(CCNS(=O)(=O)c1cccnc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918340899 1068409029 /nfs/dbraw/zinc/40/90/29/1068409029.db2.gz XNZLPWIFELKXMY-UHFFFAOYSA-N 0 0 452.558 0.301 20 10 JCCDRN CNS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)ccc1OC ZINC000918340915 1068409260 /nfs/dbraw/zinc/40/92/60/1068409260.db2.gz YBRLRKXXEFVVLJ-UHFFFAOYSA-N 0 0 467.569 0.768 20 10 JCCDRN COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918340940 1068409154 /nfs/dbraw/zinc/40/91/54/1068409154.db2.gz YPOPBRTWPNGYGN-UHFFFAOYSA-N 0 0 453.542 0.507 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cn3cc(Br)c(=O)[nH]c3=O)cc2)C1 ZINC000918371736 1068424248 /nfs/dbraw/zinc/42/42/48/1068424248.db2.gz JKKWCIIKPZOSQQ-CYBMUJFWSA-N 0 0 464.320 0.730 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cn3cc(Br)c(=O)[nH]c3=O)cc2)C1 ZINC000918372039 1068424189 /nfs/dbraw/zinc/42/41/89/1068424189.db2.gz JKKWCIIKPZOSQQ-ZDUSSCGKSA-N 0 0 464.320 0.730 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc2)C1 ZINC000918373458 1068424171 /nfs/dbraw/zinc/42/41/71/1068424171.db2.gz ZTDBROUEUFXRMY-AOIWGVFYSA-N 0 0 462.572 0.040 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc2)C1 ZINC000918373459 1068424142 /nfs/dbraw/zinc/42/41/42/1068424142.db2.gz ZTDBROUEUFXRMY-LMMKCTJWSA-N 0 0 462.572 0.040 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc2)C1 ZINC000918373460 1068424226 /nfs/dbraw/zinc/42/42/26/1068424226.db2.gz ZTDBROUEUFXRMY-ZHALLVOQSA-N 0 0 462.572 0.040 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc2)C1 ZINC000918373461 1068424220 /nfs/dbraw/zinc/42/42/20/1068424220.db2.gz ZTDBROUEUFXRMY-ZIFCJYIRSA-N 0 0 462.572 0.040 20 10 JCCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000918429539 1068441861 /nfs/dbraw/zinc/44/18/61/1068441861.db2.gz KJAWTJYYKKNANC-UHFFFAOYSA-N 0 0 487.582 0.908 20 10 JCCDRN Cn1c(=O)c2cc(NC(=O)C(=O)NCc3ccc(N4CCSCC4)cc3)cnc2n(C)c1=O ZINC000918438312 1068462363 /nfs/dbraw/zinc/46/23/63/1068462363.db2.gz MMMAKEDUGOJQEB-UHFFFAOYSA-N 0 0 468.539 0.440 20 10 JCCDRN NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000918438600 1068462285 /nfs/dbraw/zinc/46/22/85/1068462285.db2.gz GDVHCADFHUSERB-UHFFFAOYSA-N 0 0 455.540 0.710 20 10 JCCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000918439169 1068462875 /nfs/dbraw/zinc/46/28/75/1068462875.db2.gz ULCKQLOQTZTSCF-UHFFFAOYSA-N 0 0 469.517 0.978 20 10 JCCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000918439913 1068463615 /nfs/dbraw/zinc/46/36/15/1068463615.db2.gz XQSRPDJJSIIIEE-UHFFFAOYSA-N 0 0 454.556 0.826 20 10 JCCDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccc2O1 ZINC000918441364 1068464332 /nfs/dbraw/zinc/46/43/32/1068464332.db2.gz ZJYPGMYAWZOQKE-NRFANRHFSA-N 0 0 470.501 0.943 20 10 JCCDRN CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccc2O1 ZINC000918441365 1068464313 /nfs/dbraw/zinc/46/43/13/1068464313.db2.gz ZJYPGMYAWZOQKE-OAQYLSRUSA-N 0 0 470.501 0.943 20 10 JCCDRN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000918441374 1068464395 /nfs/dbraw/zinc/46/43/95/1068464395.db2.gz ZOHQUXJIADSZKP-UHFFFAOYSA-N 0 0 486.500 0.945 20 10 JCCDRN Cn1c(=O)c2cc(NC(=O)C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cnc2n(C)c1=O ZINC000918442470 1068455511 /nfs/dbraw/zinc/45/55/11/1068455511.db2.gz LVKDIPKMZWPGDK-UHFFFAOYSA-N 0 0 480.525 0.096 20 10 JCCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000918442601 1068455600 /nfs/dbraw/zinc/45/56/00/1068455600.db2.gz LCEUMPFFHFYOBR-UHFFFAOYSA-N 0 0 466.542 0.481 20 10 JCCDRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000918443892 1068456946 /nfs/dbraw/zinc/45/69/46/1068456946.db2.gz JQVODCWIJFNJAA-UHFFFAOYSA-N 0 0 476.555 0.934 20 10 JCCDRN CN(C)c1ccc(CN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C2CC2)cc1 ZINC000918457009 1068465087 /nfs/dbraw/zinc/46/50/87/1068465087.db2.gz QVOYMZXXDXNSMN-UHFFFAOYSA-N 0 0 450.499 0.828 20 10 JCCDRN COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)cc1 ZINC000918461600 1068465870 /nfs/dbraw/zinc/46/58/70/1068465870.db2.gz HPRLJLVIVJIBQY-UHFFFAOYSA-N 0 0 452.515 0.704 20 10 JCCDRN COc1ccc(N2CCCN(C(=O)C(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)cc1 ZINC000918462068 1068465823 /nfs/dbraw/zinc/46/58/23/1068465823.db2.gz PWRABYPFYLBKFJ-UHFFFAOYSA-N 0 0 466.498 0.318 20 10 JCCDRN COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC2)cc1 ZINC000918462118 1068465885 /nfs/dbraw/zinc/46/58/85/1068465885.db2.gz RPZQIDPXZCJOMO-UHFFFAOYSA-N 0 0 453.499 0.588 20 10 JCCDRN NC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000918462571 1068465874 /nfs/dbraw/zinc/46/58/74/1068465874.db2.gz CPSNXXFLMUHKMG-INIZCTEOSA-N 0 0 453.499 0.507 20 10 JCCDRN NC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000918462572 1068465895 /nfs/dbraw/zinc/46/58/95/1068465895.db2.gz CPSNXXFLMUHKMG-MRXNPFEDSA-N 0 0 453.499 0.507 20 10 JCCDRN CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000918462604 1068465835 /nfs/dbraw/zinc/46/58/35/1068465835.db2.gz DCQLBSNIQWACHN-KRWDZBQOSA-N 0 0 487.582 0.894 20 10 JCCDRN CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000918462607 1068465844 /nfs/dbraw/zinc/46/58/44/1068465844.db2.gz DCQLBSNIQWACHN-QGZVFWFLSA-N 0 0 487.582 0.894 20 10 JCCDRN CN1C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2C1=O ZINC000918462981 1068465830 /nfs/dbraw/zinc/46/58/30/1068465830.db2.gz FOXXZWKZYIURTE-HNNXBMFYSA-N 0 0 463.494 0.869 20 10 JCCDRN CN1C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2C1=O ZINC000918462982 1068465817 /nfs/dbraw/zinc/46/58/17/1068465817.db2.gz FOXXZWKZYIURTE-OAHLLOKOSA-N 0 0 463.494 0.869 20 10 JCCDRN CNS(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1C ZINC000918463024 1068465891 /nfs/dbraw/zinc/46/58/91/1068465891.db2.gz GSWPJMRRYCJDJG-KRWDZBQOSA-N 0 0 487.582 0.860 20 10 JCCDRN CNS(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1C ZINC000918463025 1068466539 /nfs/dbraw/zinc/46/65/39/1068466539.db2.gz GSWPJMRRYCJDJG-QGZVFWFLSA-N 0 0 487.582 0.860 20 10 JCCDRN NC(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000918463046 1068466450 /nfs/dbraw/zinc/46/64/50/1068466450.db2.gz HIAMFLIROWDRKJ-INIZCTEOSA-N 0 0 453.499 0.507 20 10 JCCDRN NC(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000918463047 1068466628 /nfs/dbraw/zinc/46/66/28/1068466628.db2.gz HIAMFLIROWDRKJ-MRXNPFEDSA-N 0 0 453.499 0.507 20 10 JCCDRN COC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc2O1 ZINC000918463166 1068466468 /nfs/dbraw/zinc/46/64/68/1068466468.db2.gz HTMQGQUEQMEIGN-DYESRHJHSA-N 0 0 480.521 0.972 20 10 JCCDRN COC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc2O1 ZINC000918463167 1068466619 /nfs/dbraw/zinc/46/66/19/1068466619.db2.gz HTMQGQUEQMEIGN-LAUBAEHRSA-N 0 0 480.521 0.972 20 10 JCCDRN COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc2O1 ZINC000918463168 1068466575 /nfs/dbraw/zinc/46/65/75/1068466575.db2.gz HTMQGQUEQMEIGN-UTKZUKDTSA-N 0 0 480.521 0.972 20 10 JCCDRN COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc2O1 ZINC000918463169 1068466364 /nfs/dbraw/zinc/46/63/64/1068466364.db2.gz HTMQGQUEQMEIGN-UWJYYQICSA-N 0 0 480.521 0.972 20 10 JCCDRN CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000918463873 1068466477 /nfs/dbraw/zinc/46/64/77/1068466477.db2.gz NLSDWIUZWMEOPU-GOSISDBHSA-N 0 0 451.527 0.932 20 10 JCCDRN CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000918463874 1068466566 /nfs/dbraw/zinc/46/65/66/1068466566.db2.gz NLSDWIUZWMEOPU-SFHVURJKSA-N 0 0 451.527 0.932 20 10 JCCDRN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000918463889 1068466586 /nfs/dbraw/zinc/46/65/86/1068466586.db2.gz OENYDEKGCLJIKY-GOSISDBHSA-N 0 0 495.536 0.546 20 10 JCCDRN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000918463890 1068466388 /nfs/dbraw/zinc/46/63/88/1068466388.db2.gz OENYDEKGCLJIKY-SFHVURJKSA-N 0 0 495.536 0.546 20 10 JCCDRN Cc1c(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cccc1-n1cnnn1 ZINC000918464402 1068466548 /nfs/dbraw/zinc/46/65/48/1068466548.db2.gz VASAHDBFAYSKKM-KRWDZBQOSA-N 0 0 462.514 0.927 20 10 JCCDRN Cc1c(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cccc1-n1cnnn1 ZINC000918464403 1068466525 /nfs/dbraw/zinc/46/65/25/1068466525.db2.gz VASAHDBFAYSKKM-QGZVFWFLSA-N 0 0 462.514 0.927 20 10 JCCDRN Cc1nnnn1-c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000918464506 1068467113 /nfs/dbraw/zinc/46/71/13/1068467113.db2.gz ATAKVBKOMSMVNM-KRWDZBQOSA-N 0 0 462.514 0.927 20 10 JCCDRN Cc1nnnn1-c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000918464509 1068467020 /nfs/dbraw/zinc/46/70/20/1068467020.db2.gz ATAKVBKOMSMVNM-QGZVFWFLSA-N 0 0 462.514 0.927 20 10 JCCDRN CS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cn1 ZINC000918464531 1068466970 /nfs/dbraw/zinc/46/69/70/1068466970.db2.gz AZLPVRPJIFWMLW-HNNXBMFYSA-N 0 0 459.528 0.442 20 10 JCCDRN CS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cn1 ZINC000918464543 1068467188 /nfs/dbraw/zinc/46/71/88/1068467188.db2.gz AZLPVRPJIFWMLW-OAHLLOKOSA-N 0 0 459.528 0.442 20 10 JCCDRN NC(=O)CCOc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000918464555 1068467127 /nfs/dbraw/zinc/46/71/27/1068467127.db2.gz BBBIDVPGZWMRON-KRWDZBQOSA-N 0 0 467.526 0.897 20 10 JCCDRN NC(=O)CCOc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000918464558 1068467215 /nfs/dbraw/zinc/46/72/15/1068467215.db2.gz BBBIDVPGZWMRON-QGZVFWFLSA-N 0 0 467.526 0.897 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)cc2)C1 ZINC000918464777 1068467038 /nfs/dbraw/zinc/46/70/38/1068467038.db2.gz ZWPDVNKOBCPXKA-HNNXBMFYSA-N 0 0 451.483 0.974 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)cc2)C1 ZINC000918464778 1068467093 /nfs/dbraw/zinc/46/70/93/1068467093.db2.gz ZWPDVNKOBCPXKA-OAHLLOKOSA-N 0 0 451.483 0.974 20 10 JCCDRN Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1-n1cnnn1 ZINC000918465124 1068467077 /nfs/dbraw/zinc/46/70/77/1068467077.db2.gz HGTUSBDDFDKNHN-KRWDZBQOSA-N 0 0 462.514 0.927 20 10 JCCDRN Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1-n1cnnn1 ZINC000918465127 1068467177 /nfs/dbraw/zinc/46/71/77/1068467177.db2.gz HGTUSBDDFDKNHN-QGZVFWFLSA-N 0 0 462.514 0.927 20 10 JCCDRN COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1OCC(N)=O ZINC000918465162 1068467166 /nfs/dbraw/zinc/46/71/66/1068467166.db2.gz HSULDHRAXNVXMU-INIZCTEOSA-N 0 0 483.525 0.516 20 10 JCCDRN COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1OCC(N)=O ZINC000918465164 1068467099 /nfs/dbraw/zinc/46/70/99/1068467099.db2.gz HSULDHRAXNVXMU-MRXNPFEDSA-N 0 0 483.525 0.516 20 10 JCCDRN CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc2O1 ZINC000918465412 1068467197 /nfs/dbraw/zinc/46/71/97/1068467197.db2.gz MAVVOAQRJAACCJ-DYESRHJHSA-N 0 0 479.537 0.545 20 10 JCCDRN CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc2O1 ZINC000918465413 1068467786 /nfs/dbraw/zinc/46/77/86/1068467786.db2.gz MAVVOAQRJAACCJ-LAUBAEHRSA-N 0 0 479.537 0.545 20 10 JCCDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc2O1 ZINC000918465414 1068467701 /nfs/dbraw/zinc/46/77/01/1068467701.db2.gz MAVVOAQRJAACCJ-UTKZUKDTSA-N 0 0 479.537 0.545 20 10 JCCDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc2O1 ZINC000918465415 1068468006 /nfs/dbraw/zinc/46/80/06/1068468006.db2.gz MAVVOAQRJAACCJ-UWJYYQICSA-N 0 0 479.537 0.545 20 10 JCCDRN Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1-n1cnnn1 ZINC000918465588 1068467796 /nfs/dbraw/zinc/46/77/96/1068467796.db2.gz OJSMKNKYJVVRMX-KRWDZBQOSA-N 0 0 462.514 0.927 20 10 JCCDRN Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1-n1cnnn1 ZINC000918465589 1068467723 /nfs/dbraw/zinc/46/77/23/1068467723.db2.gz OJSMKNKYJVVRMX-QGZVFWFLSA-N 0 0 462.514 0.927 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)cc2)C1 ZINC000918466040 1068467969 /nfs/dbraw/zinc/46/79/69/1068467969.db2.gz XHEOANFAALHRQE-GOSISDBHSA-N 0 0 478.553 0.579 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)cc2)C1 ZINC000918466041 1068467817 /nfs/dbraw/zinc/46/78/17/1068467817.db2.gz XHEOANFAALHRQE-SFHVURJKSA-N 0 0 478.553 0.579 20 10 JCCDRN NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918635887 1068492565 /nfs/dbraw/zinc/49/25/65/1068492565.db2.gz ZMSCHOBMJRIDKQ-UHFFFAOYSA-N 0 0 464.475 0.534 20 10 JCCDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918642398 1068493812 /nfs/dbraw/zinc/49/38/12/1068493812.db2.gz AQZDFQXBHTYCLK-UHFFFAOYSA-N 0 0 472.479 0.742 20 10 JCCDRN CN(CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1=NS(=O)(=O)c2ccccc21 ZINC000918642808 1068493912 /nfs/dbraw/zinc/49/39/12/1068493912.db2.gz DJPVKFYYQHOMJW-UHFFFAOYSA-N 0 0 476.580 0.619 20 10 JCCDRN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918643710 1068493782 /nfs/dbraw/zinc/49/37/82/1068493782.db2.gz MTMKFBOIYINRKB-UHFFFAOYSA-N 0 0 472.479 0.742 20 10 JCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000918644273 1068493865 /nfs/dbraw/zinc/49/38/65/1068493865.db2.gz VPVXHKUDWDDSMH-UHFFFAOYSA-N 0 0 456.524 0.903 20 10 JCCDRN C[C@@H]1NC(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)=NN(c2ccccc2)C1=O ZINC000918644592 1068493835 /nfs/dbraw/zinc/49/38/35/1068493835.db2.gz GNBPVQWODPPPBX-INIZCTEOSA-N 0 0 455.540 0.876 20 10 JCCDRN C[C@H]1NC(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)=NN(c2ccccc2)C1=O ZINC000918644593 1068493927 /nfs/dbraw/zinc/49/39/27/1068493927.db2.gz GNBPVQWODPPPBX-MRXNPFEDSA-N 0 0 455.540 0.876 20 10 JCCDRN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918644962 1068494304 /nfs/dbraw/zinc/49/43/04/1068494304.db2.gz MRQKYACBOQJYSB-AWEZNQCLSA-N 0 0 457.599 0.966 20 10 JCCDRN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918644964 1068494519 /nfs/dbraw/zinc/49/45/19/1068494519.db2.gz MRQKYACBOQJYSB-CQSZACIVSA-N 0 0 457.599 0.966 20 10 JCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000918645394 1068494327 /nfs/dbraw/zinc/49/43/27/1068494327.db2.gz SWCNBCWPDAWYPU-UHFFFAOYSA-N 0 0 493.607 0.872 20 10 JCCDRN O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918645875 1068494390 /nfs/dbraw/zinc/49/43/90/1068494390.db2.gz ZZAYYUJSKXTDSD-UHFFFAOYSA-N 0 0 463.537 0.382 20 10 JCCDRN COc1ccc(N2CCCN(C(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)CC2)cc1 ZINC000918665576 1068495897 /nfs/dbraw/zinc/49/58/97/1068495897.db2.gz OWCGDFOXGCIEJM-UHFFFAOYSA-N 0 0 460.512 0.989 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)C1 ZINC000918672337 1068494563 /nfs/dbraw/zinc/49/45/63/1068494563.db2.gz IDZNPZJNRXJOJR-INIZCTEOSA-N 0 0 456.524 0.849 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)C1 ZINC000918672339 1068494489 /nfs/dbraw/zinc/49/44/89/1068494489.db2.gz IDZNPZJNRXJOJR-MRXNPFEDSA-N 0 0 456.524 0.849 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)cc2)C1 ZINC000918674098 1068496633 /nfs/dbraw/zinc/49/66/33/1068496633.db2.gz VRBCZXBUNGSTEE-HNNXBMFYSA-N 0 0 487.538 0.260 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)cc2)C1 ZINC000918674099 1068496792 /nfs/dbraw/zinc/49/67/92/1068496792.db2.gz VRBCZXBUNGSTEE-OAHLLOKOSA-N 0 0 487.538 0.260 20 10 JCCDRN CC(=O)NCC(=O)NCC(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000918759955 1068503815 /nfs/dbraw/zinc/50/38/15/1068503815.db2.gz DGYDAKRZQHPFJE-GFCCVEGCSA-N 0 0 451.435 0.585 20 10 JCCDRN CC(=O)NCC(=O)NCC(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000918759957 1068503985 /nfs/dbraw/zinc/50/39/85/1068503985.db2.gz DGYDAKRZQHPFJE-LBPRGKRZSA-N 0 0 451.435 0.585 20 10 JCCDRN Cn1ncc2c1nc(CCC(=O)OCC(=O)NCc1ccc(N3CCOCC3)c(F)c1)[nH]c2=O ZINC000918785966 1068510544 /nfs/dbraw/zinc/51/05/44/1068510544.db2.gz VEEVMGOKGGZGHQ-UHFFFAOYSA-N 0 0 472.477 0.837 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)C1=NN(c3ccc(F)cc3)[C@H](C(N)=O)C1)cc2=O ZINC000918786779 1068511096 /nfs/dbraw/zinc/51/10/96/1068511096.db2.gz LYYKJCJTOSDBGZ-INIZCTEOSA-N 0 0 470.417 0.914 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)C1=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C1)cc2=O ZINC000918786780 1068511126 /nfs/dbraw/zinc/51/11/26/1068511126.db2.gz LYYKJCJTOSDBGZ-MRXNPFEDSA-N 0 0 470.417 0.914 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CN3C(=O)NC(C)(C)C3=O)cc2F)C[C@H](C)O1 ZINC000918796235 1068508257 /nfs/dbraw/zinc/50/82/57/1068508257.db2.gz ZHXWKWQGQVVDIP-KBPBESRZSA-N 0 0 464.494 0.929 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CN3C(=O)NC(C)(C)C3=O)cc2F)C[C@H](C)O1 ZINC000918796236 1068507964 /nfs/dbraw/zinc/50/79/64/1068507964.db2.gz ZHXWKWQGQVVDIP-OKILXGFUSA-N 0 0 464.494 0.929 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CN3C(=O)NC(C)(C)C3=O)cc2F)C[C@@H](C)O1 ZINC000918796237 1068508145 /nfs/dbraw/zinc/50/81/45/1068508145.db2.gz ZHXWKWQGQVVDIP-ZIAGYGMSSA-N 0 0 464.494 0.929 20 10 JCCDRN CCC1(CC)NC(=O)N(CC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000918814683 1068516983 /nfs/dbraw/zinc/51/69/83/1068516983.db2.gz YLRDSENLWBZHKD-UHFFFAOYSA-N 0 0 464.494 0.932 20 10 JCCDRN CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000918822251 1068512372 /nfs/dbraw/zinc/51/23/72/1068512372.db2.gz ASCWLKHMRNSKTO-NRFANRHFSA-N 0 0 450.467 0.542 20 10 JCCDRN CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000918822252 1068512507 /nfs/dbraw/zinc/51/25/07/1068512507.db2.gz ASCWLKHMRNSKTO-OAQYLSRUSA-N 0 0 450.467 0.542 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1)cc2=O ZINC000918827353 1068524768 /nfs/dbraw/zinc/52/47/68/1068524768.db2.gz VAZBNGSAWRBQIS-UHFFFAOYSA-N 0 0 476.467 0.836 20 10 JCCDRN CN(CCCNC(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)S(C)(=O)=O ZINC000918848313 1068526939 /nfs/dbraw/zinc/52/69/39/1068526939.db2.gz MRNSFOOFLPTQHC-UHFFFAOYSA-N 0 0 473.507 0.599 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)cc2=O ZINC000918850123 1068527422 /nfs/dbraw/zinc/52/74/22/1068527422.db2.gz FICNTCVVAFTUQR-UHFFFAOYSA-N 0 0 490.494 0.990 20 10 JCCDRN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918855308 1068528173 /nfs/dbraw/zinc/52/81/73/1068528173.db2.gz FXZXSOSOMXALAT-CALCHBBNSA-N 0 0 461.490 0.997 20 10 JCCDRN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918855309 1068528249 /nfs/dbraw/zinc/52/82/49/1068528249.db2.gz FXZXSOSOMXALAT-IAGOWNOFSA-N 0 0 461.490 0.997 20 10 JCCDRN O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918855310 1068528190 /nfs/dbraw/zinc/52/81/90/1068528190.db2.gz FXZXSOSOMXALAT-IRXDYDNUSA-N 0 0 461.490 0.997 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)cc2=O ZINC000918875016 1068532213 /nfs/dbraw/zinc/53/22/13/1068532213.db2.gz GLNXYJMEMGFGLK-UHFFFAOYSA-N 0 0 490.494 0.990 20 10 JCCDRN C[C@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000918875654 1068532057 /nfs/dbraw/zinc/53/20/57/1068532057.db2.gz ONCRJHHCUPRTJM-JOCHJYFZSA-N 0 0 462.478 0.542 20 10 JCCDRN C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000918875655 1068532195 /nfs/dbraw/zinc/53/21/95/1068532195.db2.gz ONCRJHHCUPRTJM-QFIPXVFZSA-N 0 0 462.478 0.542 20 10 JCCDRN O=C(COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918895355 1068536464 /nfs/dbraw/zinc/53/64/64/1068536464.db2.gz IFUDVOGQQSGMAF-UHFFFAOYSA-N 0 0 478.502 0.319 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)CN1C(=O)c3ccccc3S1(=O)=O)cc2=O ZINC000918901907 1068537329 /nfs/dbraw/zinc/53/73/29/1068537329.db2.gz LXVBPKLTGCKCBT-UHFFFAOYSA-N 0 0 460.424 0.500 20 10 JCCDRN O=C(COC(=O)CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918902709 1068537771 /nfs/dbraw/zinc/53/77/71/1068537771.db2.gz VHDOWKOGEADIGY-UHFFFAOYSA-N 0 0 491.497 0.666 20 10 JCCDRN Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918909345 1068538885 /nfs/dbraw/zinc/53/88/85/1068538885.db2.gz ZTDKCVWKABXMFL-UHFFFAOYSA-N 0 0 484.506 0.405 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cc(S(N)(=O)=O)cn3C)cc2F)C[C@H](C)O1 ZINC000918917723 1068543076 /nfs/dbraw/zinc/54/30/76/1068543076.db2.gz CRDKFKNCKZFIGS-KBPBESRZSA-N 0 0 482.534 0.898 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3cc(S(N)(=O)=O)cn3C)cc2F)C[C@H](C)O1 ZINC000918917731 1068543061 /nfs/dbraw/zinc/54/30/61/1068543061.db2.gz CRDKFKNCKZFIGS-OKILXGFUSA-N 0 0 482.534 0.898 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3cc(S(N)(=O)=O)cn3C)cc2F)C[C@@H](C)O1 ZINC000918917733 1068542988 /nfs/dbraw/zinc/54/29/88/1068542988.db2.gz CRDKFKNCKZFIGS-ZIAGYGMSSA-N 0 0 482.534 0.898 20 10 JCCDRN O=C(COC(=O)Cn1nnc2ccccc2c1=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918918250 1068542998 /nfs/dbraw/zinc/54/29/98/1068542998.db2.gz DBTVWEWCYFILJB-UHFFFAOYSA-N 0 0 455.446 0.627 20 10 JCCDRN Cn1cc(S(N)(=O)=O)cc1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918918379 1068542907 /nfs/dbraw/zinc/54/29/07/1068542907.db2.gz JSTUJBGORSNFQL-UHFFFAOYSA-N 0 0 454.480 0.121 20 10 JCCDRN O=C(COC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918922835 1068544496 /nfs/dbraw/zinc/54/44/96/1068544496.db2.gz XGMXVNQXBVXTGA-UHFFFAOYSA-N 0 0 470.457 0.937 20 10 JCCDRN CS(=O)(=O)N1CCC(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000918930386 1068541948 /nfs/dbraw/zinc/54/19/48/1068541948.db2.gz DATLIBHRFGZWJE-UHFFFAOYSA-N 0 0 457.524 0.493 20 10 JCCDRN NC(=O)[C@@H]1CC(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)=NN1c1ccccc1 ZINC000918944892 1068546953 /nfs/dbraw/zinc/54/69/53/1068546953.db2.gz IQYHSMAAFOUNRP-NRFANRHFSA-N 0 0 483.500 0.942 20 10 JCCDRN NC(=O)[C@H]1CC(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)=NN1c1ccccc1 ZINC000918944895 1068546843 /nfs/dbraw/zinc/54/68/43/1068546843.db2.gz IQYHSMAAFOUNRP-OAQYLSRUSA-N 0 0 483.500 0.942 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)C1=NN(c3ccccc3)[C@H](C(N)=O)C1)cc2=O ZINC000918946699 1068546967 /nfs/dbraw/zinc/54/69/67/1068546967.db2.gz UANSORKAMKPGJP-INIZCTEOSA-N 0 0 452.427 0.775 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)C1=NN(c3ccccc3)[C@@H](C(N)=O)C1)cc2=O ZINC000918946700 1068546891 /nfs/dbraw/zinc/54/68/91/1068546891.db2.gz UANSORKAMKPGJP-MRXNPFEDSA-N 0 0 452.427 0.775 20 10 JCCDRN COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918950119 1068544902 /nfs/dbraw/zinc/54/49/02/1068544902.db2.gz HBHFUWXOGYEGSN-UHFFFAOYSA-N 0 0 481.502 0.792 20 10 JCCDRN NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000918958118 1068548741 /nfs/dbraw/zinc/54/87/41/1068548741.db2.gz DUCMBFMCVDXUFH-UHFFFAOYSA-N 0 0 451.476 0.783 20 10 JCCDRN COc1ccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1S(N)(=O)=O ZINC000918958123 1068548689 /nfs/dbraw/zinc/54/86/89/1068548689.db2.gz FAKJQZABDRVMRT-UHFFFAOYSA-N 0 0 481.502 0.792 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1)cc2=O ZINC000918958220 1068548616 /nfs/dbraw/zinc/54/86/16/1068548616.db2.gz JLAZBNHQQBRZDE-UHFFFAOYSA-N 0 0 464.456 0.885 20 10 JCCDRN NS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000918966186 1068555923 /nfs/dbraw/zinc/55/59/23/1068555923.db2.gz SNOWQJWOSKJQMK-UHFFFAOYSA-N 0 0 469.466 0.922 20 10 JCCDRN O=C(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918969550 1068558242 /nfs/dbraw/zinc/55/82/42/1068558242.db2.gz IJQCYPXJTGMDNM-UHFFFAOYSA-N 0 0 462.478 0.686 20 10 JCCDRN O=C(COC(=O)CNC(=O)c1ccc2c(c1)OCO2)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918975106 1068561490 /nfs/dbraw/zinc/56/14/90/1068561490.db2.gz VSJYECVQBVHPAD-UHFFFAOYSA-N 0 0 473.457 0.980 20 10 JCCDRN O=C(COC(=O)CNS(=O)(=O)c1ccccc1F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918984712 1068554691 /nfs/dbraw/zinc/55/46/91/1068554691.db2.gz GCMPECQQCWZJIF-UHFFFAOYSA-N 0 0 483.493 0.939 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)CNS(=O)(=O)c1ccccc1F)cc2=O ZINC000918985407 1068555373 /nfs/dbraw/zinc/55/53/73/1068555373.db2.gz YNJQNCQWJDWVIM-UHFFFAOYSA-N 0 0 452.420 0.772 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CC[C@H]3NC(=O)NC3=O)cc2F)C[C@H](C)O1 ZINC000918989831 1068565922 /nfs/dbraw/zinc/56/59/22/1068565922.db2.gz IJOOFXHUORVXIZ-DVOMOZLQSA-N 0 0 450.467 0.587 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CC[C@@H]3NC(=O)NC3=O)cc2F)C[C@@H](C)O1 ZINC000918989832 1068565956 /nfs/dbraw/zinc/56/59/56/1068565956.db2.gz IJOOFXHUORVXIZ-IOASZLSFSA-N 0 0 450.467 0.587 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CC[C@H]3NC(=O)NC3=O)cc2F)C[C@@H](C)O1 ZINC000918989833 1068565933 /nfs/dbraw/zinc/56/59/33/1068565933.db2.gz IJOOFXHUORVXIZ-XJKCOSOUSA-N 0 0 450.467 0.587 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CC[C@@H]3NC(=O)NC3=O)cc2F)C[C@H](C)O1 ZINC000918989834 1068565845 /nfs/dbraw/zinc/56/58/45/1068565845.db2.gz IJOOFXHUORVXIZ-ZENOOKHLSA-N 0 0 450.467 0.587 20 10 JCCDRN CC1(C)NC(=O)N(CCC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000918998405 1068562603 /nfs/dbraw/zinc/56/26/03/1068562603.db2.gz WUIMEVUPXHDLKX-UHFFFAOYSA-N 0 0 450.467 0.542 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)CN(C)C1=NS(=O)(=O)c3ccccc31)cc2=O ZINC000919005158 1068564165 /nfs/dbraw/zinc/56/41/65/1068564165.db2.gz LQYZZOYNOULAGF-UHFFFAOYSA-N 0 0 473.467 0.736 20 10 JCCDRN CN1CC(=O)N(CCCC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000919007317 1068564744 /nfs/dbraw/zinc/56/47/44/1068564744.db2.gz SXVRSGAQZFSOOP-UHFFFAOYSA-N 0 0 450.467 0.496 20 10 JCCDRN CCS(=O)(=O)N1CCC(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000919012361 1068569981 /nfs/dbraw/zinc/56/99/81/1068569981.db2.gz CVILYJLMVQYHQW-UHFFFAOYSA-N 0 0 471.551 0.883 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)Cn1c(=O)ccn(Cc3ccccc3)c1=O)cc2=O ZINC000919017412 1068571450 /nfs/dbraw/zinc/57/14/50/1068571450.db2.gz ZSKPBEDSGSKHET-UHFFFAOYSA-N 0 0 479.449 0.727 20 10 JCCDRN NS(=O)(=O)c1cc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000919018985 1068571978 /nfs/dbraw/zinc/57/19/78/1068571978.db2.gz OCHQRONMUNGOSN-UHFFFAOYSA-N 0 0 457.505 0.844 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CN3C(=O)CN(C)C3=O)cc2F)C[C@H](C)O1 ZINC000919019048 1068571751 /nfs/dbraw/zinc/57/17/51/1068571751.db2.gz OOZAFWPOIWYDHJ-KBPBESRZSA-N 0 0 450.467 0.493 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CN3C(=O)CN(C)C3=O)cc2F)C[C@H](C)O1 ZINC000919019057 1068571768 /nfs/dbraw/zinc/57/17/68/1068571768.db2.gz OOZAFWPOIWYDHJ-OKILXGFUSA-N 0 0 450.467 0.493 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CN3C(=O)CN(C)C3=O)cc2F)C[C@@H](C)O1 ZINC000919019058 1068571935 /nfs/dbraw/zinc/57/19/35/1068571935.db2.gz OOZAFWPOIWYDHJ-ZIAGYGMSSA-N 0 0 450.467 0.493 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)Cn1c3ccccc3c(=O)n(CC)c1=O)cc2=O ZINC000919021392 1068572920 /nfs/dbraw/zinc/57/29/20/1068572920.db2.gz VESRGFMPAFMVFW-UHFFFAOYSA-N 0 0 467.438 0.852 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1cc(S(=O)(=O)N3CCOCC3)cn1C)cc2=O ZINC000919024058 1068566957 /nfs/dbraw/zinc/56/69/57/1068566957.db2.gz NNSOHMIMFHEIOE-UHFFFAOYSA-N 0 0 493.498 0.328 20 10 JCCDRN O=C(COC(=O)CNS(=O)(=O)c1cccc(F)c1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000919039253 1068578082 /nfs/dbraw/zinc/57/80/82/1068578082.db2.gz GTJGWQIXIYUHJT-UHFFFAOYSA-N 0 0 483.493 0.939 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)CNS(=O)(=O)c1cccc(F)c1)cc2=O ZINC000919039527 1068578581 /nfs/dbraw/zinc/57/85/81/1068578581.db2.gz KAEZNEMEWLUBJX-UHFFFAOYSA-N 0 0 452.420 0.772 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)/C=C\c3cn(C)c(=O)n(C)c3=O)cc2F)C[C@@H](C)O1 ZINC000919043493 1068578537 /nfs/dbraw/zinc/57/85/37/1068578537.db2.gz ZZHVOPQUHSTKCY-AJKQWTFCSA-N 0 0 488.516 0.710 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)cc2F)C[C@@H](C)O1 ZINC000919043494 1068578506 /nfs/dbraw/zinc/57/85/06/1068578506.db2.gz ZZHVOPQUHSTKCY-CGMDNHBQSA-N 0 0 488.516 0.710 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)/C=C\c3cn(C)c(=O)n(C)c3=O)cc2F)C[C@H](C)O1 ZINC000919043495 1068578523 /nfs/dbraw/zinc/57/85/23/1068578523.db2.gz ZZHVOPQUHSTKCY-HMDCADFTSA-N 0 0 488.516 0.710 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)cc2F)C[C@H](C)O1 ZINC000919043496 1068578453 /nfs/dbraw/zinc/57/84/53/1068578453.db2.gz ZZHVOPQUHSTKCY-JNIGEABNSA-N 0 0 488.516 0.710 20 10 JCCDRN NS(=O)(=O)c1ccsc1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000919043552 1068578709 /nfs/dbraw/zinc/57/87/09/1068578709.db2.gz XQNGAFLHTIGRRG-UHFFFAOYSA-N 0 0 457.505 0.844 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cnc4c(cnn4C)c3=O)cc2F)C[C@H](C)O1 ZINC000919045277 1068579280 /nfs/dbraw/zinc/57/92/80/1068579280.db2.gz BPUOQGZSTKZNTI-GASCZTMLSA-N 0 0 486.504 0.742 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cnc4c(cnn4C)c3=O)cc2F)C[C@H](C)O1 ZINC000919045279 1068579293 /nfs/dbraw/zinc/57/92/93/1068579293.db2.gz BPUOQGZSTKZNTI-GJZGRUSLSA-N 0 0 486.504 0.742 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cnc4c(cnn4C)c3=O)cc2F)C[C@@H](C)O1 ZINC000919045280 1068578959 /nfs/dbraw/zinc/57/89/59/1068578959.db2.gz BPUOQGZSTKZNTI-HUUCEWRRSA-N 0 0 486.504 0.742 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)C1CCN(c3ccc4nnnn4n3)CC1)cc2=O ZINC000919057182 1068582086 /nfs/dbraw/zinc/58/20/86/1068582086.db2.gz GUDCLWOEHWBEHY-UHFFFAOYSA-N 0 0 467.446 0.404 20 10 JCCDRN O=C(COC(=O)C1CCN(c2ccc3nnnn3n2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000919060881 1068583581 /nfs/dbraw/zinc/58/35/81/1068583581.db2.gz ZXZWJWSCDSLBEU-UHFFFAOYSA-N 0 0 498.519 0.571 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)C3CCN(S(N)(=O)=O)CC3)cc2F)C[C@H](C)O1 ZINC000919064556 1068595837 /nfs/dbraw/zinc/59/58/37/1068595837.db2.gz VUWXDWCFBINKKB-GASCZTMLSA-N 0 0 486.566 0.514 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C3CCN(S(N)(=O)=O)CC3)cc2F)C[C@H](C)O1 ZINC000919064559 1068595882 /nfs/dbraw/zinc/59/58/82/1068595882.db2.gz VUWXDWCFBINKKB-GJZGRUSLSA-N 0 0 486.566 0.514 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)C3CCN(S(N)(=O)=O)CC3)cc2F)C[C@@H](C)O1 ZINC000919064561 1068595665 /nfs/dbraw/zinc/59/56/65/1068595665.db2.gz VUWXDWCFBINKKB-HUUCEWRRSA-N 0 0 486.566 0.514 20 10 JCCDRN Cn1c(=O)c2ccc(C(=O)OCC(=O)NCc3ccc(N4CCOCC4)c(F)c3)nc2n(C)c1=O ZINC000919065380 1068596350 /nfs/dbraw/zinc/59/63/50/1068596350.db2.gz NDRZWRZDVJCZRG-UHFFFAOYSA-N 0 0 485.472 0.081 20 10 JCCDRN O=C(COC(=O)CCNS(=O)(=O)c1cccnc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000919077408 1068593042 /nfs/dbraw/zinc/59/30/42/1068593042.db2.gz DXWFFDJVISDBPS-UHFFFAOYSA-N 0 0 480.518 0.585 20 10 JCCDRN NS(=O)(=O)c1ccc(CC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000919087710 1068601832 /nfs/dbraw/zinc/60/18/32/1068601832.db2.gz APKRJIBYGXJENH-UHFFFAOYSA-N 0 0 471.532 0.773 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1ccc(S(=O)(=O)N3CCOCC3)o1)cc2=O ZINC000919091003 1068602347 /nfs/dbraw/zinc/60/23/47/1068602347.db2.gz HQRXXYGVTKQZKQ-UHFFFAOYSA-N 0 0 480.455 0.583 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)cc2=O ZINC000919094903 1068598148 /nfs/dbraw/zinc/59/81/48/1068598148.db2.gz FBCURAWHICNJHV-UHFFFAOYSA-N 0 0 490.494 0.990 20 10 JCCDRN O=C(COC(=O)CNS(=O)(=O)c1cccs1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000919100088 1068599611 /nfs/dbraw/zinc/59/96/11/1068599611.db2.gz XECJKTXZCNUEFQ-UHFFFAOYSA-N 0 0 471.532 0.862 20 10 JCCDRN CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000919101093 1068599572 /nfs/dbraw/zinc/59/95/72/1068599572.db2.gz SSNGQEUNZXHEFD-UHFFFAOYSA-N 0 0 469.491 0.979 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3ccc(=O)n(C)c3=O)cc2F)C[C@H](C)O1 ZINC000919102156 1068600518 /nfs/dbraw/zinc/60/05/18/1068600518.db2.gz GQODSFJQVCAGOC-GASCZTMLSA-N 0 0 462.478 0.159 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3ccc(=O)n(C)c3=O)cc2F)C[C@H](C)O1 ZINC000919102157 1068600558 /nfs/dbraw/zinc/60/05/58/1068600558.db2.gz GQODSFJQVCAGOC-GJZGRUSLSA-N 0 0 462.478 0.159 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3ccc(=O)n(C)c3=O)cc2F)C[C@@H](C)O1 ZINC000919102158 1068600578 /nfs/dbraw/zinc/60/05/78/1068600578.db2.gz GQODSFJQVCAGOC-HUUCEWRRSA-N 0 0 462.478 0.159 20 10 JCCDRN O=C(COC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000919102559 1068600548 /nfs/dbraw/zinc/60/05/48/1068600548.db2.gz UTELTQGOKLQPKH-UHFFFAOYSA-N 0 0 470.457 0.937 20 10 JCCDRN CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000919104397 1068603170 /nfs/dbraw/zinc/60/31/70/1068603170.db2.gz BVRKJWMXFSDUGL-UHFFFAOYSA-N 0 0 468.507 0.714 20 10 JCCDRN CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000919105592 1068603830 /nfs/dbraw/zinc/60/38/30/1068603830.db2.gz FRVGONVUFZPLNA-UHFFFAOYSA-N 0 0 454.480 0.372 20 10 JCCDRN CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000919107501 1068603851 /nfs/dbraw/zinc/60/38/51/1068603851.db2.gz TZEDMEBGOVOQOW-UHFFFAOYSA-N 0 0 455.464 0.637 20 10 JCCDRN NS(=O)(=O)c1cc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1F ZINC000919122775 1068615362 /nfs/dbraw/zinc/61/53/62/1068615362.db2.gz OTTBVKRKLAVRDY-UHFFFAOYSA-N 0 0 469.466 0.922 20 10 JCCDRN Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1 ZINC000919128230 1068616031 /nfs/dbraw/zinc/61/60/31/1068616031.db2.gz CWQMYHOGDUHBAZ-UHFFFAOYSA-N 0 0 482.474 0.656 20 10 JCCDRN Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cn1 ZINC000919130126 1068617424 /nfs/dbraw/zinc/61/74/24/1068617424.db2.gz ZQRJIRYIOZXZSM-UHFFFAOYSA-N 0 0 482.474 0.656 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CNS(=O)(=O)c3cnn(C)c3)cc2F)C[C@H](C)O1 ZINC000919132762 1068609145 /nfs/dbraw/zinc/60/91/45/1068609145.db2.gz WWDCDXZOPJBKON-GASCZTMLSA-N 0 0 497.549 0.311 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CNS(=O)(=O)c3cnn(C)c3)cc2F)C[C@H](C)O1 ZINC000919132763 1068609053 /nfs/dbraw/zinc/60/90/53/1068609053.db2.gz WWDCDXZOPJBKON-GJZGRUSLSA-N 0 0 497.549 0.311 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CNS(=O)(=O)c3cnn(C)c3)cc2F)C[C@@H](C)O1 ZINC000919132764 1068609015 /nfs/dbraw/zinc/60/90/15/1068609015.db2.gz WWDCDXZOPJBKON-HUUCEWRRSA-N 0 0 497.549 0.311 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)cc2=O ZINC000919133205 1068610578 /nfs/dbraw/zinc/61/05/78/1068610578.db2.gz ZYRHKPFIJGQRHJ-UHFFFAOYSA-N 0 0 478.483 0.581 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1)cc2=O ZINC000919133268 1068610555 /nfs/dbraw/zinc/61/05/55/1068610555.db2.gz MFYZJYZJQHYFOF-GFCCVEGCSA-N 0 0 478.483 0.628 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)cc2=O ZINC000919133269 1068610713 /nfs/dbraw/zinc/61/07/13/1068610713.db2.gz MFYZJYZJQHYFOF-LBPRGKRZSA-N 0 0 478.483 0.628 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1)cc2=O ZINC000919134137 1068611249 /nfs/dbraw/zinc/61/12/49/1068611249.db2.gz SLFLUVMMSDGAMG-GFCCVEGCSA-N 0 0 478.483 0.628 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1)cc2=O ZINC000919134138 1068611216 /nfs/dbraw/zinc/61/12/16/1068611216.db2.gz SLFLUVMMSDGAMG-LBPRGKRZSA-N 0 0 478.483 0.628 20 10 JCCDRN Cc1cc(C(=O)COC(=O)CN2CCS(=O)(=O)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000919135518 1068612647 /nfs/dbraw/zinc/61/26/47/1068612647.db2.gz GEAAGHJTSKYMGM-UHFFFAOYSA-N 0 0 483.568 0.198 20 10 JCCDRN O=C(COC(=O)CN1CCS(=O)(=O)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000919136861 1068613223 /nfs/dbraw/zinc/61/32/23/1068613223.db2.gz RGIZFRRHFAVRID-UHFFFAOYSA-N 0 0 456.476 0.674 20 10 JCCDRN O=C(COC(=O)CN1CCS(=O)(=O)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000919137152 1068613891 /nfs/dbraw/zinc/61/38/91/1068613891.db2.gz ZGZGZPTYUFWMDF-UHFFFAOYSA-N 0 0 456.476 0.674 20 10 JCCDRN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000919138244 1068614524 /nfs/dbraw/zinc/61/45/24/1068614524.db2.gz XWNFYEYCKVINFG-UHFFFAOYSA-N 0 0 469.491 0.993 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CN3CCS(=O)(=O)CC3)cc2F)C[C@H](C)O1 ZINC000919141659 1068615230 /nfs/dbraw/zinc/61/52/30/1068615230.db2.gz HETKOWNDWOXNJN-HOTGVXAUSA-N 0 0 471.551 0.329 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CN3CCS(=O)(=O)CC3)cc2F)C[C@@H](C)O1 ZINC000919141660 1068615194 /nfs/dbraw/zinc/61/51/94/1068615194.db2.gz HETKOWNDWOXNJN-HZPDHXFCSA-N 0 0 471.551 0.329 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CN3CCS(=O)(=O)CC3)cc2F)C[C@H](C)O1 ZINC000919141661 1068615272 /nfs/dbraw/zinc/61/52/72/1068615272.db2.gz HETKOWNDWOXNJN-IYBDPMFKSA-N 0 0 471.551 0.329 20 10 JCCDRN CCN1CCN(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C(=O)C1=O ZINC000919145836 1068621548 /nfs/dbraw/zinc/62/15/48/1068621548.db2.gz GIXHZHUJTZJULT-UHFFFAOYSA-N 0 0 490.538 0.158 20 10 JCCDRN CCN1CCN(CC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C(=O)C1=O ZINC000919146236 1068621489 /nfs/dbraw/zinc/62/14/89/1068621489.db2.gz MZOMUGSWVYEDGZ-UHFFFAOYSA-N 0 0 463.446 0.634 20 10 JCCDRN CCN1CCN(CC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(=O)C1=O ZINC000919146259 1068622212 /nfs/dbraw/zinc/62/22/12/1068622212.db2.gz OQJNFMYJZLUQEA-UHFFFAOYSA-N 0 0 463.446 0.634 20 10 JCCDRN CCN1CCN(CC(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C(=O)C1=O ZINC000919146582 1068622135 /nfs/dbraw/zinc/62/21/35/1068622135.db2.gz CIZNXBKCOPFMCU-HOTGVXAUSA-N 0 0 478.521 0.289 20 10 JCCDRN CCN1CCN(CC(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C(=O)C1=O ZINC000919146583 1068622735 /nfs/dbraw/zinc/62/27/35/1068622735.db2.gz CIZNXBKCOPFMCU-HZPDHXFCSA-N 0 0 478.521 0.289 20 10 JCCDRN CCN1CCN(CC(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C(=O)C1=O ZINC000919146584 1068622827 /nfs/dbraw/zinc/62/28/27/1068622827.db2.gz CIZNXBKCOPFMCU-IYBDPMFKSA-N 0 0 478.521 0.289 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)cc2=O ZINC000919181851 1068630427 /nfs/dbraw/zinc/63/04/27/1068630427.db2.gz MTCLULYOFFAMGU-CRAIPNDOSA-N 0 0 486.456 0.998 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)cc2=O ZINC000919181852 1068630516 /nfs/dbraw/zinc/63/05/16/1068630516.db2.gz MTCLULYOFFAMGU-MAUKXSAKSA-N 0 0 486.456 0.998 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)cc2=O ZINC000919181853 1068630564 /nfs/dbraw/zinc/63/05/64/1068630564.db2.gz MTCLULYOFFAMGU-QAPCUYQASA-N 0 0 486.456 0.998 20 10 JCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)cc2=O ZINC000919181854 1068630451 /nfs/dbraw/zinc/63/04/51/1068630451.db2.gz MTCLULYOFFAMGU-YJBOKZPZSA-N 0 0 486.456 0.998 20 10 JCCDRN CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000919245400 1068643719 /nfs/dbraw/zinc/64/37/19/1068643719.db2.gz NAIGRKLBCYVHHX-GOSISDBHSA-N 0 0 457.524 0.636 20 10 JCCDRN CS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000919245401 1068643732 /nfs/dbraw/zinc/64/37/32/1068643732.db2.gz NAIGRKLBCYVHHX-SFHVURJKSA-N 0 0 457.524 0.636 20 10 JCCDRN COC(=O)N(C)CC(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000919290228 1068661473 /nfs/dbraw/zinc/66/14/73/1068661473.db2.gz VHWIUBFQQIOTIA-NVNXTCNLSA-N 0 0 495.535 0.974 20 10 JCCDRN COC(=O)N(C)CC(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000919290229 1068661469 /nfs/dbraw/zinc/66/14/69/1068661469.db2.gz VHWIUBFQQIOTIA-OVCLIPMQSA-N 0 0 495.535 0.974 20 10 JCCDRN O=C(COC(=O)[C@@H]1CCC(=O)NC1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000919339379 1068668872 /nfs/dbraw/zinc/66/88/72/1068668872.db2.gz ZXQNEIFPIWSRKH-KHAFMBKQSA-N 0 0 491.547 0.802 20 10 JCCDRN O=C(COC(=O)[C@H]1CCC(=O)NC1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000919339380 1068668791 /nfs/dbraw/zinc/66/87/91/1068668791.db2.gz ZXQNEIFPIWSRKH-MJOIQJIUSA-N 0 0 491.547 0.802 20 10 JCCDRN O=C(COC(=O)[C@H]1CCC(=O)NC1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000919339382 1068668911 /nfs/dbraw/zinc/66/89/11/1068668911.db2.gz ZXQNEIFPIWSRKH-TUTDSIAXSA-N 0 0 491.547 0.802 20 10 JCCDRN O=C(COC(=O)[C@@H]1CCC(=O)NC1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000919339383 1068668898 /nfs/dbraw/zinc/66/88/98/1068668898.db2.gz ZXQNEIFPIWSRKH-WJHGTXIHSA-N 0 0 491.547 0.802 20 10 JCCDRN Cc1cc(C(=O)COC(=O)CN2CCCS2(=O)=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000919359851 1068679997 /nfs/dbraw/zinc/67/99/97/1068679997.db2.gz PUBVNABVXRSJRZ-UHFFFAOYSA-N 0 0 469.541 0.503 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CN3CCCS3(=O)=O)cc2F)C[C@H](C)O1 ZINC000919360201 1068680790 /nfs/dbraw/zinc/68/07/90/1068680790.db2.gz KJAUFQLPQWYDJH-GASCZTMLSA-N 0 0 457.524 0.634 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CN3CCCS3(=O)=O)cc2F)C[C@H](C)O1 ZINC000919360202 1068680704 /nfs/dbraw/zinc/68/07/04/1068680704.db2.gz KJAUFQLPQWYDJH-GJZGRUSLSA-N 0 0 457.524 0.634 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CN3CCCS3(=O)=O)cc2F)C[C@@H](C)O1 ZINC000919360503 1068680762 /nfs/dbraw/zinc/68/07/62/1068680762.db2.gz KJAUFQLPQWYDJH-HUUCEWRRSA-N 0 0 457.524 0.634 20 10 JCCDRN Cc1cc(C(=O)COC(=O)CCN2CCCS2(=O)=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000919439550 1068695754 /nfs/dbraw/zinc/69/57/54/1068695754.db2.gz OIVHNRANJBKARE-UHFFFAOYSA-N 0 0 483.568 0.893 20 10 JCCDRN CC(=O)NCC(=O)NCC(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000919508435 1068710437 /nfs/dbraw/zinc/71/04/37/1068710437.db2.gz RKNXHAMWVIJCDA-GFCCVEGCSA-N 0 0 451.435 0.585 20 10 JCCDRN CC(=O)NCC(=O)NCC(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000919508438 1068710475 /nfs/dbraw/zinc/71/04/75/1068710475.db2.gz RKNXHAMWVIJCDA-LBPRGKRZSA-N 0 0 451.435 0.585 20 10 JCCDRN COC(=O)NCC(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000919511915 1068711437 /nfs/dbraw/zinc/71/14/37/1068711437.db2.gz WWSUUESDQIITTJ-AUWJEWJLSA-N 0 0 481.508 0.632 20 10 JCCDRN COC(=O)NCC(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000919511916 1068711498 /nfs/dbraw/zinc/71/14/98/1068711498.db2.gz WWSUUESDQIITTJ-VGOFMYFVSA-N 0 0 481.508 0.632 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cnc([N+](=O)[O-])n3)cc2F)C[C@H](C)O1 ZINC000919520372 1068712500 /nfs/dbraw/zinc/71/25/00/1068712500.db2.gz QUOCPZKWXKGWRN-BETUJISGSA-N 0 0 450.427 0.799 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cnc([N+](=O)[O-])n3)cc2F)C[C@@H](C)O1 ZINC000919520373 1068712510 /nfs/dbraw/zinc/71/25/10/1068712510.db2.gz QUOCPZKWXKGWRN-CHWSQXEVSA-N 0 0 450.427 0.799 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)COC(=O)Cn3cnc([N+](=O)[O-])n3)cc2F)C[C@H](C)O1 ZINC000919520374 1068712340 /nfs/dbraw/zinc/71/23/40/1068712340.db2.gz QUOCPZKWXKGWRN-STQMWFEESA-N 0 0 450.427 0.799 20 10 JCCDRN CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000919644596 1068741928 /nfs/dbraw/zinc/74/19/28/1068741928.db2.gz CGWACYQPNWCLJA-KRWDZBQOSA-N 0 0 453.561 0.949 20 10 JCCDRN CCS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000919644597 1068741892 /nfs/dbraw/zinc/74/18/92/1068741892.db2.gz CGWACYQPNWCLJA-QGZVFWFLSA-N 0 0 453.561 0.949 20 10 JCCDRN CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000919645183 1068742286 /nfs/dbraw/zinc/74/22/86/1068742286.db2.gz IKXGJXLGBGCEFG-KRWDZBQOSA-N 0 0 471.551 0.883 20 10 JCCDRN CCS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000919645184 1068742348 /nfs/dbraw/zinc/74/23/48/1068742348.db2.gz IKXGJXLGBGCEFG-QGZVFWFLSA-N 0 0 471.551 0.883 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)cc2)C1 ZINC000919662836 1068749932 /nfs/dbraw/zinc/74/99/32/1068749932.db2.gz PVEJOLFQQVOGLX-HNNXBMFYSA-N 0 0 451.483 0.974 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)cc2)C1 ZINC000919662837 1068750055 /nfs/dbraw/zinc/75/00/55/1068750055.db2.gz PVEJOLFQQVOGLX-OAHLLOKOSA-N 0 0 451.483 0.974 20 10 JCCDRN Cn1ncc2c1ncn(CC(=O)NCc1ccc(N3CCN(c4ncccn4)CC3)c(F)c1)c2=O ZINC000919697899 1068753344 /nfs/dbraw/zinc/75/33/44/1068753344.db2.gz NQCUGHCBSIQZDL-UHFFFAOYSA-N 0 0 477.504 0.702 20 10 JCCDRN CC1(C)NC(=O)N(CC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1=O ZINC000919698198 1068753613 /nfs/dbraw/zinc/75/36/13/1068753613.db2.gz WFPYYPZYCZBRGT-UHFFFAOYSA-N 0 0 455.494 0.889 20 10 JCCDRN CCN1CCN(CC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C(=O)C1=O ZINC000919699347 1068753428 /nfs/dbraw/zinc/75/34/28/1068753428.db2.gz LINZHRFLCWVRQY-UHFFFAOYSA-N 0 0 469.521 0.249 20 10 JCCDRN O=C(CCCN1C(=O)CNC1=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000919699663 1068753595 /nfs/dbraw/zinc/75/35/95/1068753595.db2.gz VOCJIYYXGSIEKF-UHFFFAOYSA-N 0 0 455.494 0.891 20 10 JCCDRN Cn1cc(/C=C\C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(=O)n(C)c1=O ZINC000919699708 1068753555 /nfs/dbraw/zinc/75/35/55/1068753555.db2.gz YHMRODCCYHQEFC-ALCCZGGFSA-N 0 0 479.516 0.669 20 10 JCCDRN Cn1cc(/C=C/C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c(=O)n(C)c1=O ZINC000919699709 1068753543 /nfs/dbraw/zinc/75/35/43/1068753543.db2.gz YHMRODCCYHQEFC-FNORWQNLSA-N 0 0 479.516 0.669 20 10 JCCDRN CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000919699711 1068753459 /nfs/dbraw/zinc/75/34/59/1068753459.db2.gz YJSQMZHMJNIFJB-IBGZPJMESA-N 0 0 462.551 0.983 20 10 JCCDRN CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000919699712 1068753443 /nfs/dbraw/zinc/75/34/43/1068753443.db2.gz YJSQMZHMJNIFJB-LJQANCHMSA-N 0 0 462.551 0.983 20 10 JCCDRN COCCS(=O)(=O)CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000919699740 1068753518 /nfs/dbraw/zinc/75/35/18/1068753518.db2.gz ZJHHADDYIVSPBM-UHFFFAOYSA-N 0 0 451.524 0.620 20 10 JCCDRN O=C(CCN1CCCS1(=O)=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000919700950 1068754206 /nfs/dbraw/zinc/75/42/06/1068754206.db2.gz INAQXUPCYVSEQR-UHFFFAOYSA-N 0 0 462.551 0.984 20 10 JCCDRN Cn1c(=O)ccn(CC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1=O ZINC000919701303 1068754149 /nfs/dbraw/zinc/75/41/49/1068754149.db2.gz URWMZHOZZQSKQR-UHFFFAOYSA-N 0 0 453.478 0.119 20 10 JCCDRN COC(=O)C1CCN(S(=O)(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000919722368 1068757696 /nfs/dbraw/zinc/75/76/96/1068757696.db2.gz HZZGPAPEXLTPGA-UHFFFAOYSA-N 0 0 454.593 0.927 20 10 JCCDRN COCCN(CCOC)S(=O)(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000919729085 1068756499 /nfs/dbraw/zinc/75/64/99/1068756499.db2.gz CDFNEZNKDACPJQ-UHFFFAOYSA-N 0 0 482.582 0.872 20 10 JCCDRN Cn1cc(S(=O)(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cc1C(N)=O ZINC000919730129 1068763013 /nfs/dbraw/zinc/76/30/13/1068763013.db2.gz OZIURHWCBJXRBB-UHFFFAOYSA-N 0 0 473.534 0.858 20 10 JCCDRN CNC(=O)COc1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1OC ZINC000919750292 1068764553 /nfs/dbraw/zinc/76/45/53/1068764553.db2.gz YCUBOTWSFLOVKH-UHFFFAOYSA-N 0 0 461.540 0.985 20 10 JCCDRN Cn1c(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc2c1n(C)c(=O)n(C)c2=O ZINC000919753238 1068765254 /nfs/dbraw/zinc/76/52/54/1068765254.db2.gz BVBSESPJLWQBBV-HNNXBMFYSA-N 0 0 452.515 0.207 20 10 JCCDRN Cn1c(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc2c1n(C)c(=O)n(C)c2=O ZINC000919753239 1068765329 /nfs/dbraw/zinc/76/53/29/1068765329.db2.gz BVBSESPJLWQBBV-OAHLLOKOSA-N 0 0 452.515 0.207 20 10 JCCDRN CN(CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000919761478 1068766884 /nfs/dbraw/zinc/76/68/84/1068766884.db2.gz DLCZJNJHMSVAQY-GOSISDBHSA-N 0 0 476.578 0.677 20 10 JCCDRN CN(CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000919761479 1068766910 /nfs/dbraw/zinc/76/69/10/1068766910.db2.gz DLCZJNJHMSVAQY-SFHVURJKSA-N 0 0 476.578 0.677 20 10 JCCDRN O=C(CN1CCS(=O)(=O)CC1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000919761487 1068766705 /nfs/dbraw/zinc/76/67/05/1068766705.db2.gz DWNUQDOPZIEQBW-UHFFFAOYSA-N 0 0 462.551 0.289 20 10 JCCDRN Cn1cc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cn1 ZINC000919761492 1068766924 /nfs/dbraw/zinc/76/69/24/1068766924.db2.gz FPFCGTXRSAINPI-UHFFFAOYSA-N 0 0 488.549 0.271 20 10 JCCDRN Cn1cc(S(N)(=O)=O)cc1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000919761534 1068767440 /nfs/dbraw/zinc/76/74/40/1068767440.db2.gz HQWRFJZJJBTMDO-UHFFFAOYSA-N 0 0 473.534 0.858 20 10 JCCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000919765527 1068767494 /nfs/dbraw/zinc/76/74/94/1068767494.db2.gz HEVKEWHGSKWSIT-UHFFFAOYSA-N 0 0 458.540 0.574 20 10 JCCDRN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000919767138 1068767612 /nfs/dbraw/zinc/76/76/12/1068767612.db2.gz FTNZHCOLDPSWPO-NRFANRHFSA-N 0 0 495.623 0.921 20 10 JCCDRN CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000919767139 1068768061 /nfs/dbraw/zinc/76/80/61/1068768061.db2.gz FTNZHCOLDPSWPO-OAQYLSRUSA-N 0 0 495.623 0.921 20 10 JCCDRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000919767290 1068768231 /nfs/dbraw/zinc/76/82/31/1068768231.db2.gz SJEOQIBTHNQWQC-UHFFFAOYSA-N 0 0 460.556 0.820 20 10 JCCDRN CS(=O)(=O)NCCNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000919782219 1068768292 /nfs/dbraw/zinc/76/82/92/1068768292.db2.gz DVRGFCNCUOXCJB-UHFFFAOYSA-N 0 0 451.528 0.291 20 10 JCCDRN O=C(CCNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCOCC1 ZINC000919782241 1068768314 /nfs/dbraw/zinc/76/83/14/1068768314.db2.gz FZYKRNFFWKQILZ-UHFFFAOYSA-N 0 0 471.537 0.990 20 10 JCCDRN CNC(=O)CN1CCC(NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 ZINC000919782254 1068768975 /nfs/dbraw/zinc/76/89/75/1068768975.db2.gz GJXFCEJAKPPFRF-UHFFFAOYSA-N 0 0 484.580 0.952 20 10 JCCDRN CCS(=O)(=O)NCCNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000919782601 1068768872 /nfs/dbraw/zinc/76/88/72/1068768872.db2.gz MFDTZLNKPGABJH-UHFFFAOYSA-N 0 0 465.555 0.681 20 10 JCCDRN CN1CCN(C(=O)CCNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 ZINC000919783207 1068768678 /nfs/dbraw/zinc/76/86/78/1068768678.db2.gz GXNXDDDEUCDSMA-UHFFFAOYSA-N 0 0 484.580 0.906 20 10 JCCDRN CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 ZINC000919784315 1068768808 /nfs/dbraw/zinc/76/88/08/1068768808.db2.gz OAKAYXPJYGLDCA-UHFFFAOYSA-N 0 0 484.580 0.906 20 10 JCCDRN COCC(=O)N1CCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 ZINC000919784634 1068768741 /nfs/dbraw/zinc/76/87/41/1068768741.db2.gz QWTNMQOOPYIUES-UHFFFAOYSA-N 0 0 471.537 0.943 20 10 JCCDRN CS(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 ZINC000919784731 1068768863 /nfs/dbraw/zinc/76/88/63/1068768863.db2.gz SFSCXGYXYUXKPI-UHFFFAOYSA-N 0 0 477.566 0.729 20 10 JCCDRN O=C(NCCS(=O)(=O)NC1CC1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000919785424 1068768934 /nfs/dbraw/zinc/76/89/34/1068768934.db2.gz YDJIBCDJYYXSSC-UHFFFAOYSA-N 0 0 477.566 0.823 20 10 JCCDRN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)o1 ZINC000919790068 1068768893 /nfs/dbraw/zinc/76/88/93/1068768893.db2.gz FMPOCJPHYUENPR-UHFFFAOYSA-N 0 0 477.543 0.431 20 10 JCCDRN O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NCc1ccc(N2CCOCC2)cc1 ZINC000919790171 1068768820 /nfs/dbraw/zinc/76/88/20/1068768820.db2.gz OIOQMXJOZWEUJM-UHFFFAOYSA-N 0 0 488.614 0.869 20 10 JCCDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)C[C@H](C)O1 ZINC000919790912 1068768725 /nfs/dbraw/zinc/76/87/25/1068768725.db2.gz SGJXXUSUKBFFIX-KDURUIRLSA-N 0 0 481.619 0.704 20 10 JCCDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)C[C@H](C)O1 ZINC000919790913 1068768885 /nfs/dbraw/zinc/76/88/85/1068768885.db2.gz SGJXXUSUKBFFIX-OALUTQOASA-N 0 0 481.619 0.704 20 10 JCCDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)C[C@@H](C)O1 ZINC000919790914 1068768844 /nfs/dbraw/zinc/76/88/44/1068768844.db2.gz SGJXXUSUKBFFIX-RTBURBONSA-N 0 0 481.619 0.704 20 10 JCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccnc3N3CCOCC3)cc2)C1 ZINC000919793331 1068770112 /nfs/dbraw/zinc/77/01/12/1068770112.db2.gz DLBMSMXWUPUPCK-GOSISDBHSA-N 0 0 466.542 0.875 20 10 JCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccnc3N3CCOCC3)cc2)C1 ZINC000919793332 1068770025 /nfs/dbraw/zinc/77/00/25/1068770025.db2.gz DLBMSMXWUPUPCK-SFHVURJKSA-N 0 0 466.542 0.875 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)c1 ZINC000919805683 1068769993 /nfs/dbraw/zinc/76/99/93/1068769993.db2.gz HCMYROMUKMFEIJ-UHFFFAOYSA-N 0 0 497.580 0.915 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000919805946 1068771221 /nfs/dbraw/zinc/77/12/21/1068771221.db2.gz DNKFAJSTOKLSGK-UHFFFAOYSA-N 0 0 484.512 0.819 20 10 JCCDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)cc1 ZINC000919806004 1068769495 /nfs/dbraw/zinc/76/94/95/1068769495.db2.gz JBYNQSZIVAYDNE-UHFFFAOYSA-N 0 0 469.541 0.919 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000919806171 1068785459 /nfs/dbraw/zinc/78/54/59/1068785459.db2.gz PPISAXDLHZSCAD-UHFFFAOYSA-N 0 0 484.512 0.819 20 10 JCCDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)c1 ZINC000919807887 1068785985 /nfs/dbraw/zinc/78/59/85/1068785985.db2.gz JJCFCDAOHYSJPZ-UHFFFAOYSA-N 0 0 499.567 0.928 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000919808757 1068786495 /nfs/dbraw/zinc/78/64/95/1068786495.db2.gz IESMAAGRQDBXFX-UHFFFAOYSA-N 0 0 469.541 0.715 20 10 JCCDRN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000919809649 1068786339 /nfs/dbraw/zinc/78/63/39/1068786339.db2.gz FDEBZQZQLQCJFQ-UHFFFAOYSA-N 0 0 472.545 0.905 20 10 JCCDRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000919809831 1068786547 /nfs/dbraw/zinc/78/65/47/1068786547.db2.gz OEHJKRMJRSXLKN-UHFFFAOYSA-N 0 0 458.518 0.515 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1 ZINC000919809934 1068786364 /nfs/dbraw/zinc/78/63/64/1068786364.db2.gz LBLYIHRUKOCUKT-UHFFFAOYSA-N 0 0 483.568 0.856 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 ZINC000919809953 1068786457 /nfs/dbraw/zinc/78/64/57/1068786457.db2.gz NCNKZDPBBNHQCA-UHFFFAOYSA-N 0 0 463.541 0.791 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000919811459 1068787150 /nfs/dbraw/zinc/78/71/50/1068787150.db2.gz ZSWNIRUWOSECFQ-UHFFFAOYSA-N 0 0 475.570 0.776 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000919814312 1068772216 /nfs/dbraw/zinc/77/22/16/1068772216.db2.gz KOUKNDCXQGTUTH-UHFFFAOYSA-N 0 0 454.530 0.374 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000919814353 1068772295 /nfs/dbraw/zinc/77/22/95/1068772295.db2.gz QJQUQJMNNCCZQG-UHFFFAOYSA-N 0 0 483.572 0.041 20 10 JCCDRN COCCNS(=O)(=O)c1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 ZINC000919815736 1068772431 /nfs/dbraw/zinc/77/24/31/1068772431.db2.gz REJFODIVMLAISK-UHFFFAOYSA-N 0 0 457.530 0.618 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 ZINC000919816151 1068772945 /nfs/dbraw/zinc/77/29/45/1068772945.db2.gz PFNWYFRLKUTHIU-UHFFFAOYSA-N 0 0 464.525 0.671 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000919818288 1068783982 /nfs/dbraw/zinc/78/39/82/1068783982.db2.gz FSVPBDIIVBVXRE-UHFFFAOYSA-N 0 0 453.542 0.929 20 10 JCCDRN CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000919818981 1068787535 /nfs/dbraw/zinc/78/75/35/1068787535.db2.gz HZPHVYWZUNPBSG-UHFFFAOYSA-N 0 0 470.548 0.915 20 10 JCCDRN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000919819316 1068788148 /nfs/dbraw/zinc/78/81/48/1068788148.db2.gz NFHLQRDEAWZHKX-UHFFFAOYSA-N 0 0 456.521 0.573 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1 ZINC000919821601 1068791648 /nfs/dbraw/zinc/79/16/48/1068791648.db2.gz LJMKOUKGLJYFLE-UHFFFAOYSA-N 0 0 479.540 0.787 20 10 JCCDRN O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000919839101 1068792312 /nfs/dbraw/zinc/79/23/12/1068792312.db2.gz BCQJRFCNRPWRGK-UHFFFAOYSA-N 0 0 492.579 0.294 20 10 JCCDRN O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000919839181 1068792228 /nfs/dbraw/zinc/79/22/28/1068792228.db2.gz FRWBZKJQRSEYDE-UHFFFAOYSA-N 0 0 492.579 0.294 20 10 JCCDRN COCCN1C(=O)c2ccc(C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)cc2S1(=O)=O ZINC000919840525 1068792240 /nfs/dbraw/zinc/79/22/40/1068792240.db2.gz QPKYKAXJWUQTHC-UHFFFAOYSA-N 0 0 493.563 0.965 20 10 JCCDRN NS(=O)(=O)N1CCC(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 ZINC000919854936 1068794178 /nfs/dbraw/zinc/79/41/78/1068794178.db2.gz ASOVZJUYEQXTHW-UHFFFAOYSA-N 0 0 477.566 0.474 20 10 JCCDRN NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000919859853 1068793949 /nfs/dbraw/zinc/79/39/49/1068793949.db2.gz INPPCMBYNGUDKC-UHFFFAOYSA-N 0 0 460.556 0.937 20 10 JCCDRN NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 ZINC000919878792 1068794782 /nfs/dbraw/zinc/79/47/82/1068794782.db2.gz YLPLBKLLAVUHPK-UHFFFAOYSA-N 0 0 494.595 0.658 20 10 JCCDRN CN(C)C(=O)Cn1cc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)nn1 ZINC000919927607 1068797391 /nfs/dbraw/zinc/79/73/91/1068797391.db2.gz PQRIHABMJVOGMG-UHFFFAOYSA-N 0 0 467.509 0.552 20 10 JCCDRN CCOC(=O)N1CCN(S(=O)(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000919939845 1068800298 /nfs/dbraw/zinc/80/02/98/1068800298.db2.gz HTCFQHIVFNUKBA-UHFFFAOYSA-N 0 0 469.608 0.816 20 10 JCCDRN CCOC(=O)N1CCN(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000919944549 1068801404 /nfs/dbraw/zinc/80/14/04/1068801404.db2.gz JAEOEVSEOFVXGY-KRWDZBQOSA-N 0 0 453.565 0.497 20 10 JCCDRN CCOC(=O)N1CCN(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000919944550 1068801431 /nfs/dbraw/zinc/80/14/31/1068801431.db2.gz JAEOEVSEOFVXGY-QGZVFWFLSA-N 0 0 453.565 0.497 20 10 JCCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000919969461 1068804487 /nfs/dbraw/zinc/80/44/87/1068804487.db2.gz NKULHAYXWRQEAZ-UHFFFAOYSA-N 0 0 490.557 0.837 20 10 JCCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000919970669 1068804232 /nfs/dbraw/zinc/80/42/32/1068804232.db2.gz SCFMTKXPRNATTN-HNNXBMFYSA-N 0 0 466.535 0.569 20 10 JCCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000919970670 1068804280 /nfs/dbraw/zinc/80/42/80/1068804280.db2.gz SCFMTKXPRNATTN-OAHLLOKOSA-N 0 0 466.535 0.569 20 10 JCCDRN Cn1c2ncn(CCC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2c(=O)n(C)c1=O ZINC000919971070 1068804300 /nfs/dbraw/zinc/80/43/00/1068804300.db2.gz MKCYGKWKJWIBPL-UHFFFAOYSA-N 0 0 458.494 0.240 20 10 JCCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000919971502 1068804362 /nfs/dbraw/zinc/80/43/62/1068804362.db2.gz OZYHQECLBUBSNG-CVEARBPZSA-N 0 0 453.536 0.439 20 10 JCCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000919971503 1068804671 /nfs/dbraw/zinc/80/46/71/1068804671.db2.gz OZYHQECLBUBSNG-HOTGVXAUSA-N 0 0 453.536 0.439 20 10 JCCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000919971504 1068804601 /nfs/dbraw/zinc/80/46/01/1068804601.db2.gz OZYHQECLBUBSNG-HZPDHXFCSA-N 0 0 453.536 0.439 20 10 JCCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000919971506 1068804633 /nfs/dbraw/zinc/80/46/33/1068804633.db2.gz OZYHQECLBUBSNG-JKSUJKDBSA-N 0 0 453.536 0.439 20 10 JCCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000919971785 1068804205 /nfs/dbraw/zinc/80/42/05/1068804205.db2.gz XNNZCSJYOCWSMZ-UHFFFAOYSA-N 0 0 490.557 0.837 20 10 JCCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 ZINC000920185175 1068834659 /nfs/dbraw/zinc/83/46/59/1068834659.db2.gz ABUHQPVNSHQXDA-UHFFFAOYSA-N 0 0 459.572 0.944 20 10 JCCDRN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000920194529 1068838391 /nfs/dbraw/zinc/83/83/91/1068838391.db2.gz FGJFBSXEOXFAIJ-UHFFFAOYSA-N 0 0 462.528 0.960 20 10 JCCDRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000920194541 1068838607 /nfs/dbraw/zinc/83/86/07/1068838607.db2.gz FPTDEXIPXAHXSC-UHFFFAOYSA-N 0 0 472.567 0.979 20 10 JCCDRN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000920195585 1068838565 /nfs/dbraw/zinc/83/85/65/1068838565.db2.gz VOUOULLWQSJOGC-UHFFFAOYSA-N 0 0 454.483 0.681 20 10 JCCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000920195606 1068838319 /nfs/dbraw/zinc/83/83/19/1068838319.db2.gz WNKMSEXELIGDIP-HSZRJFAPSA-N 0 0 494.548 0.792 20 10 JCCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000920195608 1068838516 /nfs/dbraw/zinc/83/85/16/1068838516.db2.gz WNKMSEXELIGDIP-QHCPKHFHSA-N 0 0 494.548 0.792 20 10 JCCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000920196003 1068838543 /nfs/dbraw/zinc/83/85/43/1068838543.db2.gz HBPWJBLLXUUJEU-UHFFFAOYSA-N 0 0 488.566 0.799 20 10 JCCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000920196259 1068838359 /nfs/dbraw/zinc/83/83/59/1068838359.db2.gz NGQJXFBQZZOADD-UHFFFAOYSA-N 0 0 488.566 0.799 20 10 JCCDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000920196281 1068838497 /nfs/dbraw/zinc/83/84/97/1068838497.db2.gz OIPLPQZDZODVRK-UHFFFAOYSA-N 0 0 468.510 0.610 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC(C(=O)NCCO)CC3)cc2F)C[C@H](C)O1 ZINC000920208214 1068836815 /nfs/dbraw/zinc/83/68/15/1068836815.db2.gz CPJJRIDBALVJSG-CALCHBBNSA-N 0 0 450.555 0.876 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC(C(=O)NCCO)CC3)cc2F)C[C@@H](C)O1 ZINC000920208216 1068836725 /nfs/dbraw/zinc/83/67/25/1068836725.db2.gz CPJJRIDBALVJSG-IAGOWNOFSA-N 0 0 450.555 0.876 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(C(=O)NCCO)CC3)cc2F)C[C@H](C)O1 ZINC000920208218 1068836473 /nfs/dbraw/zinc/83/64/73/1068836473.db2.gz CPJJRIDBALVJSG-IRXDYDNUSA-N 0 0 450.555 0.876 20 10 JCCDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000920253238 1068840089 /nfs/dbraw/zinc/84/00/89/1068840089.db2.gz VNQCRXCNUMACLO-KHPPLWFESA-N 0 0 493.630 0.631 20 10 JCCDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000920253239 1068840111 /nfs/dbraw/zinc/84/01/11/1068840111.db2.gz VNQCRXCNUMACLO-ZHACJKMWSA-N 0 0 493.630 0.631 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(CC(=O)N4CCCC4)CC3)CC2)cc1 ZINC000920253525 1068839979 /nfs/dbraw/zinc/83/99/79/1068839979.db2.gz ZLUQFRUFDDBQRZ-CMDGGOBGSA-N 0 0 469.586 0.667 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(CC(=O)N4CCCC4)CC3)CC2)cc1 ZINC000920253557 1068840237 /nfs/dbraw/zinc/84/02/37/1068840237.db2.gz ZLUQFRUFDDBQRZ-HJWRWDBZSA-N 0 0 469.586 0.667 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)cc1 ZINC000920253984 1068840420 /nfs/dbraw/zinc/84/04/20/1068840420.db2.gz CWUITLGKJBCCBO-GWQNQTGSSA-N 0 0 470.570 0.997 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)cc1 ZINC000920253985 1068840713 /nfs/dbraw/zinc/84/07/13/1068840713.db2.gz CWUITLGKJBCCBO-IBDYFIJFSA-N 0 0 470.570 0.997 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)cc1 ZINC000920253986 1068840464 /nfs/dbraw/zinc/84/04/64/1068840464.db2.gz CWUITLGKJBCCBO-NDDJGDGRSA-N 0 0 470.570 0.997 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)cc1 ZINC000920253987 1068840609 /nfs/dbraw/zinc/84/06/09/1068840609.db2.gz CWUITLGKJBCCBO-ZTBDEIDFSA-N 0 0 470.570 0.997 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN([C@H](C)C(=O)NC4CC4)CC3)CC2)cc1 ZINC000920254709 1068840746 /nfs/dbraw/zinc/84/07/46/1068840746.db2.gz KZCGHNLLXMZXCH-JBVUFVISSA-N 0 0 469.586 0.711 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN([C@@H](C)C(=O)NC4CC4)CC3)CC2)cc1 ZINC000920254710 1068840595 /nfs/dbraw/zinc/84/05/95/1068840595.db2.gz KZCGHNLLXMZXCH-VJIACCKLSA-N 0 0 469.586 0.711 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN([C@@H](C)C(=O)NC4CC4)CC3)CC2)cc1 ZINC000920254712 1068840577 /nfs/dbraw/zinc/84/05/77/1068840577.db2.gz KZCGHNLLXMZXCH-YXBWYFRISA-N 0 0 469.586 0.711 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN([C@H](C)C(=O)NC4CC4)CC3)CC2)cc1 ZINC000920254715 1068840488 /nfs/dbraw/zinc/84/04/88/1068840488.db2.gz KZCGHNLLXMZXCH-ZBTAVZRMSA-N 0 0 469.586 0.711 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)CC2)cc1 ZINC000920255101 1068840536 /nfs/dbraw/zinc/84/05/36/1068840536.db2.gz AUEZTKWJEVWUCG-KHPPLWFESA-N 0 0 479.537 0.432 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)CC2)cc1 ZINC000920255103 1068840395 /nfs/dbraw/zinc/84/03/95/1068840395.db2.gz AUEZTKWJEVWUCG-ZHACJKMWSA-N 0 0 479.537 0.432 20 10 JCCDRN CCS(=O)(=O)N(C)CCCNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000920256087 1068841193 /nfs/dbraw/zinc/84/11/93/1068841193.db2.gz QRTYQOLUFVSGIO-KHPPLWFESA-N 0 0 452.577 0.688 20 10 JCCDRN CCS(=O)(=O)N(C)CCCNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000920256088 1068840996 /nfs/dbraw/zinc/84/09/96/1068840996.db2.gz QRTYQOLUFVSGIO-ZHACJKMWSA-N 0 0 452.577 0.688 20 10 JCCDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000920342605 1068849717 /nfs/dbraw/zinc/84/97/17/1068849717.db2.gz CBTWGLDQPGIENR-UHFFFAOYSA-N 0 0 496.567 0.814 20 10 JCCDRN Cc1cc(C(=O)CN2CCCN(S(C)(=O)=O)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000920404350 1068855925 /nfs/dbraw/zinc/85/59/25/1068855925.db2.gz BZYKTBYHRADZNK-UHFFFAOYSA-N 0 0 468.601 0.892 20 10 JCCDRN CN(C)C(=O)CN1CCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)CC1 ZINC000920430888 1068865403 /nfs/dbraw/zinc/86/54/03/1068865403.db2.gz GRMPEFJXVBQCIO-UHFFFAOYSA-N 0 0 491.526 0.947 20 10 JCCDRN Cc1cc(C(=O)COC(=O)[C@H]2CCCN2S(C)(=O)=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000920431454 1068865327 /nfs/dbraw/zinc/86/53/27/1068865327.db2.gz CYDSQSGCVXYPQD-GOSISDBHSA-N 0 0 483.568 0.891 20 10 JCCDRN Cc1cc(C(=O)COC(=O)CC[C@@H]2NC(=O)NC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000920432728 1068866163 /nfs/dbraw/zinc/86/61/63/1068866163.db2.gz BOYLOPUUKWVPGD-INIZCTEOSA-N 0 0 462.484 0.456 20 10 JCCDRN Cc1cc(C(=O)COC(=O)CC[C@H]2NC(=O)NC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000920432731 1068865919 /nfs/dbraw/zinc/86/59/19/1068865919.db2.gz BOYLOPUUKWVPGD-MRXNPFEDSA-N 0 0 462.484 0.456 20 10 JCCDRN O=C(COC(=O)[C@H](CO)NC(=O)c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000920538822 1068869143 /nfs/dbraw/zinc/86/91/43/1068869143.db2.gz MFMCURLVKBMXOT-IBGZPJMESA-N 0 0 459.474 0.613 20 10 JCCDRN O=C(COC(=O)[C@@H](CO)NC(=O)c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000920538825 1068869346 /nfs/dbraw/zinc/86/93/46/1068869346.db2.gz MFMCURLVKBMXOT-LJQANCHMSA-N 0 0 459.474 0.613 20 10 JCCDRN C[C@@H](C(=O)N(C)CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)n1cccn1 ZINC000920546225 1068875364 /nfs/dbraw/zinc/87/53/64/1068875364.db2.gz AULHZNQLGWHCJK-INIZCTEOSA-N 0 0 461.494 0.738 20 10 JCCDRN C[C@H](C(=O)N(C)CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)n1cccn1 ZINC000920546227 1068875432 /nfs/dbraw/zinc/87/54/32/1068875432.db2.gz AULHZNQLGWHCJK-MRXNPFEDSA-N 0 0 461.494 0.738 20 10 JCCDRN CS(=O)(=O)CC(=O)OCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000920593796 1068879714 /nfs/dbraw/zinc/87/97/14/1068879714.db2.gz WQRKFRVDIXQRII-AUWJEWJLSA-N 0 0 486.549 0.321 20 10 JCCDRN CS(=O)(=O)CC(=O)OCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000920593797 1068879779 /nfs/dbraw/zinc/87/97/79/1068879779.db2.gz WQRKFRVDIXQRII-VGOFMYFVSA-N 0 0 486.549 0.321 20 10 JCCDRN Cc1cc(C(=O)COC(=O)CS(C)(=O)=O)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000920596806 1068880397 /nfs/dbraw/zinc/88/03/97/1068880397.db2.gz YTTNFFNXODCBRR-UHFFFAOYSA-N 0 0 498.579 0.886 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3cc4c(n3C)n(C)c(=O)n(C)c4=O)CC2)cc1 ZINC000920604852 1068884884 /nfs/dbraw/zinc/88/48/84/1068884884.db2.gz JVZUECWJGSNELQ-UHFFFAOYSA-N 0 0 469.498 0.090 20 10 JCCDRN Cn1c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000920608451 1068885163 /nfs/dbraw/zinc/88/51/63/1068885163.db2.gz RVORXGHDKWMXCB-UHFFFAOYSA-N 0 0 487.488 0.025 20 10 JCCDRN CC(C)CN(C(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000920635567 1068894497 /nfs/dbraw/zinc/89/44/97/1068894497.db2.gz ICXGTUMLWGQOFY-AWEZNQCLSA-N 0 0 462.546 0.592 20 10 JCCDRN CC(C)CN(C(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000920635570 1068894641 /nfs/dbraw/zinc/89/46/41/1068894641.db2.gz ICXGTUMLWGQOFY-CQSZACIVSA-N 0 0 462.546 0.592 20 10 JCCDRN CCCCN(C(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000920635932 1068894529 /nfs/dbraw/zinc/89/45/29/1068894529.db2.gz MDEOLYIXCONKTP-AWEZNQCLSA-N 0 0 462.546 0.736 20 10 JCCDRN CCCCN(C(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000920635935 1068894462 /nfs/dbraw/zinc/89/44/62/1068894462.db2.gz MDEOLYIXCONKTP-CQSZACIVSA-N 0 0 462.546 0.736 20 10 JCCDRN CC(C)[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000920636016 1068894447 /nfs/dbraw/zinc/89/44/47/1068894447.db2.gz NYVCMEILDCPPCG-CRAIPNDOSA-N 0 0 462.546 0.639 20 10 JCCDRN CC(C)[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000920636019 1068894542 /nfs/dbraw/zinc/89/45/42/1068894542.db2.gz NYVCMEILDCPPCG-MAUKXSAKSA-N 0 0 462.546 0.639 20 10 JCCDRN CC(C)[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000920636023 1068894681 /nfs/dbraw/zinc/89/46/81/1068894681.db2.gz NYVCMEILDCPPCG-QAPCUYQASA-N 0 0 462.546 0.639 20 10 JCCDRN CC(C)[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000920636027 1068894552 /nfs/dbraw/zinc/89/45/52/1068894552.db2.gz NYVCMEILDCPPCG-YJBOKZPZSA-N 0 0 462.546 0.639 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)c1 ZINC000920636168 1068894673 /nfs/dbraw/zinc/89/46/73/1068894673.db2.gz PYNBNPCMDABXGL-UHFFFAOYSA-N 0 0 453.448 0.968 20 10 JCCDRN CNS(=O)(=O)c1cc(NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)ccc1C ZINC000920636184 1068894588 /nfs/dbraw/zinc/89/45/88/1068894588.db2.gz QCIJDKKOTFRBCF-UHFFFAOYSA-N 0 0 471.513 0.776 20 10 JCCDRN CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)s1 ZINC000920636493 1068895050 /nfs/dbraw/zinc/89/50/50/1068895050.db2.gz VVEFGSFQRHPIHV-UHFFFAOYSA-N 0 0 476.554 0.957 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000920636516 1068895092 /nfs/dbraw/zinc/89/50/92/1068895092.db2.gz ARAWHQIHWQDRPV-UHFFFAOYSA-N 0 0 451.457 0.498 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000920636563 1068895145 /nfs/dbraw/zinc/89/51/45/1068895145.db2.gz CDWYXTBXKPKRKS-UHFFFAOYSA-N 0 0 457.411 0.954 20 10 JCCDRN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000920636599 1068895202 /nfs/dbraw/zinc/89/52/02/1068895202.db2.gz CYOUROWUJCAPHF-UHFFFAOYSA-N 0 0 471.513 0.810 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000920636773 1068895170 /nfs/dbraw/zinc/89/51/70/1068895170.db2.gz JSNPZIAVSKLHFM-CABCVRRESA-N 0 0 490.556 0.115 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000920636774 1068895112 /nfs/dbraw/zinc/89/51/12/1068895112.db2.gz JSNPZIAVSKLHFM-GJZGRUSLSA-N 0 0 490.556 0.115 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000920636775 1068895182 /nfs/dbraw/zinc/89/51/82/1068895182.db2.gz JSNPZIAVSKLHFM-HUUCEWRRSA-N 0 0 490.556 0.115 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000920636776 1068895074 /nfs/dbraw/zinc/89/50/74/1068895074.db2.gz JSNPZIAVSKLHFM-LSDHHAIUSA-N 0 0 490.556 0.115 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000920636826 1068895057 /nfs/dbraw/zinc/89/50/57/1068895057.db2.gz NHOFDYACUYKTAF-HNNXBMFYSA-N 0 0 474.557 0.879 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000920636828 1068895097 /nfs/dbraw/zinc/89/50/97/1068895097.db2.gz NHOFDYACUYKTAF-OAHLLOKOSA-N 0 0 474.557 0.879 20 10 JCCDRN COc1ccccc1N(CCC(N)=O)C(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000920636963 1068895708 /nfs/dbraw/zinc/89/57/08/1068895708.db2.gz QEIDSAKQNBCUQU-UHFFFAOYSA-N 0 0 465.484 0.838 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000920636968 1068895594 /nfs/dbraw/zinc/89/55/94/1068895594.db2.gz QRNFYUQJMSDXAL-UHFFFAOYSA-N 0 0 497.551 0.454 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000920636994 1068895688 /nfs/dbraw/zinc/89/56/88/1068895688.db2.gz TXSNBEPAGWFYLN-UHFFFAOYSA-N 0 0 467.525 0.967 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1 ZINC000920637268 1068895666 /nfs/dbraw/zinc/89/56/66/1068895666.db2.gz CYSGNAXXABRKTH-UHFFFAOYSA-N 0 0 491.522 0.709 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NCCOc2ccc3c(c2)OCO3)c1 ZINC000920637436 1068895572 /nfs/dbraw/zinc/89/55/72/1068895572.db2.gz FSTDSLCIXDKGBR-UHFFFAOYSA-N 0 0 452.441 0.844 20 10 JCCDRN COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000920637677 1068895696 /nfs/dbraw/zinc/89/56/96/1068895696.db2.gz MPQMJMYRFZRPRL-UHFFFAOYSA-N 0 0 465.484 0.992 20 10 JCCDRN C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000920637685 1068895524 /nfs/dbraw/zinc/89/55/24/1068895524.db2.gz MZMSRFBSKTVNFH-CYBMUJFWSA-N 0 0 465.484 0.887 20 10 JCCDRN C[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000920637872 1068895544 /nfs/dbraw/zinc/89/55/44/1068895544.db2.gz MZMSRFBSKTVNFH-ZDUSSCGKSA-N 0 0 465.484 0.887 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000920637964 1068895647 /nfs/dbraw/zinc/89/56/47/1068895647.db2.gz PFQQNVJNQFMEIF-UHFFFAOYSA-N 0 0 451.413 0.998 20 10 JCCDRN CCCN(C(=O)[C@H](C)OC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000920638116 1068896221 /nfs/dbraw/zinc/89/62/21/1068896221.db2.gz SJSLGKJLXJHSHQ-GXTWGEPZSA-N 0 0 462.546 0.735 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NCc2ccc(S(C)(=O)=O)cc2)c1 ZINC000920638164 1068896243 /nfs/dbraw/zinc/89/62/43/1068896243.db2.gz PAVQQUDIHRRKEZ-UHFFFAOYSA-N 0 0 456.498 0.640 20 10 JCCDRN CC(C)N(CCCNC(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O)S(C)(=O)=O ZINC000920638194 1068896184 /nfs/dbraw/zinc/89/61/84/1068896184.db2.gz QPYACDVERPEBPF-UHFFFAOYSA-N 0 0 465.550 0.097 20 10 JCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000920638217 1068896138 /nfs/dbraw/zinc/89/61/38/1068896138.db2.gz SIHZRRAUMXFMHI-UHFFFAOYSA-N 0 0 453.517 0.782 20 10 JCCDRN CCCN(C(=O)[C@H](C)OC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000920638254 1068896194 /nfs/dbraw/zinc/89/61/94/1068896194.db2.gz SJSLGKJLXJHSHQ-JSGCOSHPSA-N 0 0 462.546 0.735 20 10 JCCDRN CCCN(C(=O)[C@@H](C)OC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000920638256 1068896151 /nfs/dbraw/zinc/89/61/51/1068896151.db2.gz SJSLGKJLXJHSHQ-OCCSQVGLSA-N 0 0 462.546 0.735 20 10 JCCDRN CCCN(C(=O)[C@@H](C)OC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000920638258 1068896073 /nfs/dbraw/zinc/89/60/73/1068896073.db2.gz SJSLGKJLXJHSHQ-TZMCWYRMSA-N 0 0 462.546 0.735 20 10 JCCDRN CN(C)C(=O)Cn1cc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nn1 ZINC000920641017 1068896736 /nfs/dbraw/zinc/89/67/36/1068896736.db2.gz KOQPLCHMRIHCPU-UHFFFAOYSA-N 0 0 461.434 0.937 20 10 JCCDRN CN(C)C(=O)Cn1cc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1 ZINC000920641581 1068897779 /nfs/dbraw/zinc/89/77/79/1068897779.db2.gz RWHHYLZAMDFBCT-UHFFFAOYSA-N 0 0 461.434 0.937 20 10 JCCDRN Cc1cc(C(=O)COC(=O)c2cn(CC(=O)N(C)C)nn2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000920642242 1068898263 /nfs/dbraw/zinc/89/82/63/1068898263.db2.gz SKOSYOTVPUSLLC-UHFFFAOYSA-N 0 0 488.526 0.461 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3cn(CC(=O)N(C)C)nn3)cc2F)C[C@H](C)O1 ZINC000920643404 1068899824 /nfs/dbraw/zinc/89/98/24/1068899824.db2.gz XMJFCGPVTXYSQL-GASCZTMLSA-N 0 0 476.509 0.592 20 10 JCCDRN C[C@H]1CN(c2ccc(CNC(=O)COC(=O)c3cn(CC(=O)N(C)C)nn3)cc2F)C[C@H](C)O1 ZINC000920643405 1068899975 /nfs/dbraw/zinc/89/99/75/1068899975.db2.gz XMJFCGPVTXYSQL-GJZGRUSLSA-N 0 0 476.509 0.592 20 10 JCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)c3cn(CC(=O)N(C)C)nn3)cc2F)C[C@@H](C)O1 ZINC000920643406 1068900443 /nfs/dbraw/zinc/90/04/43/1068900443.db2.gz XMJFCGPVTXYSQL-HUUCEWRRSA-N 0 0 476.509 0.592 20 10 JCCDRN C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000920866660 1068927247 /nfs/dbraw/zinc/92/72/47/1068927247.db2.gz IVFKDLCYSPQCJR-IBGZPJMESA-N 0 0 480.635 0.404 20 10 JCCDRN C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000920866661 1068927052 /nfs/dbraw/zinc/92/70/52/1068927052.db2.gz IVFKDLCYSPQCJR-LJQANCHMSA-N 0 0 480.635 0.404 20 10 JCCDRN C[C@@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000920868648 1068927139 /nfs/dbraw/zinc/92/71/39/1068927139.db2.gz ITMHOIXHOBZQDT-GOSISDBHSA-N 0 0 459.547 0.297 20 10 JCCDRN C[C@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000920868653 1068927933 /nfs/dbraw/zinc/92/79/33/1068927933.db2.gz ITMHOIXHOBZQDT-SFHVURJKSA-N 0 0 459.547 0.297 20 10 JCCDRN C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000920868685 1068927827 /nfs/dbraw/zinc/92/78/27/1068927827.db2.gz JWFCSRPTAZLQCB-GOSISDBHSA-N 0 0 467.592 0.488 20 10 JCCDRN C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000920868692 1068927644 /nfs/dbraw/zinc/92/76/44/1068927644.db2.gz JWFCSRPTAZLQCB-SFHVURJKSA-N 0 0 467.592 0.488 20 10 JCCDRN C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000920870486 1068927840 /nfs/dbraw/zinc/92/78/40/1068927840.db2.gz GXQGAONPMLOCHH-INIZCTEOSA-N 0 0 491.570 0.992 20 10 JCCDRN C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000920870487 1068927678 /nfs/dbraw/zinc/92/76/78/1068927678.db2.gz GXQGAONPMLOCHH-MRXNPFEDSA-N 0 0 491.570 0.992 20 10 JCCDRN C[C@H](NC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)c1ccc(N2CCOCC2)cc1 ZINC000920888668 1068927946 /nfs/dbraw/zinc/92/79/46/1068927946.db2.gz WFIXLPPRFWLBKT-AWEZNQCLSA-N 0 0 460.512 0.956 20 10 JCCDRN C[C@@H](NC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)c1ccc(N2CCOCC2)cc1 ZINC000920888669 1068927719 /nfs/dbraw/zinc/92/77/19/1068927719.db2.gz WFIXLPPRFWLBKT-CQSZACIVSA-N 0 0 460.512 0.956 20 10 JCCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000920922091 1068927807 /nfs/dbraw/zinc/92/78/07/1068927807.db2.gz BYNLBFLUIWLFHV-UHFFFAOYSA-N 0 0 495.580 0.840 20 10 JCCDRN C[C@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)c1ccc(N2CCOCC2)cc1 ZINC000920923559 1068929035 /nfs/dbraw/zinc/92/90/35/1068929035.db2.gz SCNRBFAISBLYHW-INIZCTEOSA-N 0 0 452.515 0.670 20 10 JCCDRN C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)c1ccc(N2CCOCC2)cc1 ZINC000920923561 1068929046 /nfs/dbraw/zinc/92/90/46/1068929046.db2.gz SCNRBFAISBLYHW-MRXNPFEDSA-N 0 0 452.515 0.670 20 10 JCCDRN C[C@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc(N2CCOCC2)cc1 ZINC000920923975 1068929086 /nfs/dbraw/zinc/92/90/86/1068929086.db2.gz YWJWXRBMZUIORJ-AWEZNQCLSA-N 0 0 466.498 0.285 20 10 JCCDRN C[C@@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc(N2CCOCC2)cc1 ZINC000920923976 1068928822 /nfs/dbraw/zinc/92/88/22/1068928822.db2.gz YWJWXRBMZUIORJ-CQSZACIVSA-N 0 0 466.498 0.285 20 10 JCCDRN CCN1C(=O)C(=CNc2cccc(S(=O)(=O)N3CCOCC3)c2)C(=O)N(CC)C1=S ZINC000920974147 1068932614 /nfs/dbraw/zinc/93/26/14/1068932614.db2.gz BKLGOEAZAQUCCS-UHFFFAOYSA-N 0 0 452.558 0.999 20 10 JCCDRN CCN1C(=O)C(=CNc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)N(CC)C1=S ZINC000920974163 1068932724 /nfs/dbraw/zinc/93/27/24/1068932724.db2.gz BUOHMNYUNSZKAD-UHFFFAOYSA-N 0 0 452.558 0.999 20 10 JCCDRN CC(C)CN1C(=O)C(=CNc2cccc(S(=O)(=O)N3CCOCC3)c2)C(=O)NC1=S ZINC000920974239 1068932922 /nfs/dbraw/zinc/93/29/22/1068932922.db2.gz FBXLNMAOFQCYLJ-LFIBNONCSA-N 0 0 452.558 0.903 20 10 JCCDRN CC(C)CN1C(=O)C(=CNc2cccc(S(=O)(=O)N3CCOCC3)c2)C(=O)NC1=S ZINC000920974240 1068932943 /nfs/dbraw/zinc/93/29/43/1068932943.db2.gz FBXLNMAOFQCYLJ-WJDWOHSUSA-N 0 0 452.558 0.903 20 10 JCCDRN CC(C)CN1C(=O)C(=CNc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)NC1=S ZINC000920974361 1068932560 /nfs/dbraw/zinc/93/25/60/1068932560.db2.gz IRIBLOWLGFPOSN-LFIBNONCSA-N 0 0 452.558 0.903 20 10 JCCDRN CC(C)CN1C(=O)C(=CNc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)NC1=S ZINC000920974363 1068932868 /nfs/dbraw/zinc/93/28/68/1068932868.db2.gz IRIBLOWLGFPOSN-WJDWOHSUSA-N 0 0 452.558 0.903 20 10 JCCDRN COCCN1C(=O)C(=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C(=O)NC1=S ZINC000920974374 1068932645 /nfs/dbraw/zinc/93/26/45/1068932645.db2.gz JIWPVHHBUYTHJF-ACCUITESSA-N 0 0 488.975 0.546 20 10 JCCDRN COCCN1C(=O)C(=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C(=O)NC1=S ZINC000920974376 1068932886 /nfs/dbraw/zinc/93/28/86/1068932886.db2.gz JIWPVHHBUYTHJF-QBFSEMIESA-N 0 0 488.975 0.546 20 10 JCCDRN COCCN1C(=O)C(=CNc2ccc(S(=O)(=O)NCc3ccco3)cc2)C(=O)NC1=S ZINC000920974533 1068932823 /nfs/dbraw/zinc/93/28/23/1068932823.db2.gz PJGOJYGWPNCQEM-FOWTUZBSSA-N 0 0 464.525 0.944 20 10 JCCDRN COCCN1C(=O)C(=CNc2ccc(S(=O)(=O)NCc3ccco3)cc2)C(=O)NC1=S ZINC000920974543 1068932903 /nfs/dbraw/zinc/93/29/03/1068932903.db2.gz PJGOJYGWPNCQEM-VBKFSLOCSA-N 0 0 464.525 0.944 20 10 JCCDRN COCCN1C(=O)C(=CNc2cccc(S(=O)(=O)NCc3ccco3)c2)C(=O)NC1=S ZINC000920974693 1068932701 /nfs/dbraw/zinc/93/27/01/1068932701.db2.gz PYLIJGXVMUMCKY-FOWTUZBSSA-N 0 0 464.525 0.944 20 10 JCCDRN COCCN1C(=O)C(=CNc2cccc(S(=O)(=O)NCc3ccco3)c2)C(=O)NC1=S ZINC000920974695 1068932801 /nfs/dbraw/zinc/93/28/01/1068932801.db2.gz PYLIJGXVMUMCKY-VBKFSLOCSA-N 0 0 464.525 0.944 20 10 JCCDRN COCCN1C(=O)C(=CNc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C(=O)NC1=S ZINC000920974759 1068932587 /nfs/dbraw/zinc/93/25/87/1068932587.db2.gz RPYFVVNSHFLZQC-ACCUITESSA-N 0 0 488.975 0.546 20 10 JCCDRN COCCN1C(=O)C(=CNc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C(=O)NC1=S ZINC000920974760 1068932738 /nfs/dbraw/zinc/93/27/38/1068932738.db2.gz RPYFVVNSHFLZQC-QBFSEMIESA-N 0 0 488.975 0.546 20 10 JCCDRN CCCCNc1ccc(S(N)(=O)=O)cc1NC=C1C(=O)NC(=S)N(CCOC)C1=O ZINC000920975267 1068933578 /nfs/dbraw/zinc/93/35/78/1068933578.db2.gz ANPHORCQTYIKBW-ACCUITESSA-N 0 0 455.562 0.732 20 10 JCCDRN CCCCNc1ccc(S(N)(=O)=O)cc1NC=C1C(=O)NC(=S)N(CCOC)C1=O ZINC000920975268 1068933535 /nfs/dbraw/zinc/93/35/35/1068933535.db2.gz ANPHORCQTYIKBW-QBFSEMIESA-N 0 0 455.562 0.732 20 10 JCCDRN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC=C2C(=O)N(C)C(=O)N(C)C2=O)c1 ZINC000920975869 1068933441 /nfs/dbraw/zinc/93/34/41/1068933441.db2.gz AFMWCISSMZIFGH-UHFFFAOYSA-N 0 0 479.559 0.900 20 10 JCCDRN CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000920975984 1068933526 /nfs/dbraw/zinc/93/35/26/1068933526.db2.gz FFBKHFGAFWDTDA-UHFFFAOYSA-N 0 0 479.559 0.900 20 10 JCCDRN CCN(CC)S(=O)(=O)c1ccc(O)c(NC=C2C(=O)NC(=S)N(CCOC)C2=O)c1 ZINC000920976214 1068933295 /nfs/dbraw/zinc/93/32/95/1068933295.db2.gz SAVUDJBTDVEFCZ-ACCUITESSA-N 0 0 456.546 0.608 20 10 JCCDRN CCN(CC)S(=O)(=O)c1ccc(O)c(NC=C2C(=O)NC(=S)N(CCOC)C2=O)c1 ZINC000920976218 1068933455 /nfs/dbraw/zinc/93/34/55/1068933455.db2.gz SAVUDJBTDVEFCZ-QBFSEMIESA-N 0 0 456.546 0.608 20 10 JCCDRN CN1C(=O)C(=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)C(=O)N(C)C1=O ZINC000920976567 1068933609 /nfs/dbraw/zinc/93/36/09/1068933609.db2.gz LASGSKJAPBEKPD-UHFFFAOYSA-N 0 0 477.543 0.654 20 10 JCCDRN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC=C2C(=O)NC(=S)NC2=O)c1 ZINC000920976607 1068933417 /nfs/dbraw/zinc/93/34/17/1068933417.db2.gz LZOMFYKPNHIQIQ-UHFFFAOYSA-N 0 0 467.573 0.380 20 10 JCCDRN O=C1NC(=S)NC(=O)C1=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000920976945 1068933561 /nfs/dbraw/zinc/93/35/61/1068933561.db2.gz UHTUYPUHMONFQJ-UHFFFAOYSA-N 0 0 465.557 0.134 20 10 JCCDRN COCCN1C(=O)/C(=C/NNS(=O)(=O)c2ccc(Br)cc2)C(=O)NC1=S ZINC000920977102 1068933590 /nfs/dbraw/zinc/93/35/90/1068933590.db2.gz YFRRSTRBZUBBHX-DHZHZOJOSA-N 0 0 463.335 0.006 20 10 JCCDRN COCCN1C(=O)/C(=C\NNS(=O)(=O)c2ccc(Br)cc2)C(=O)NC1=S ZINC000920977112 1068933477 /nfs/dbraw/zinc/93/34/77/1068933477.db2.gz YFRRSTRBZUBBHX-FLIBITNWSA-N 0 0 463.335 0.006 20 10 JCCDRN CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC=C1C(=O)NC(=S)NC1=O ZINC000920977144 1068933345 /nfs/dbraw/zinc/93/33/45/1068933345.db2.gz ZNKGBEWWUZEXRT-UHFFFAOYSA-N 0 0 467.573 0.380 20 10 JCCDRN O=C1NC(=S)NC(=O)C1=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 ZINC000920977165 1068933500 /nfs/dbraw/zinc/93/35/00/1068933500.db2.gz ZXUDMIOISQKGGB-UHFFFAOYSA-N 0 0 479.584 0.525 20 10 JCCDRN COc1ccc(NC=C2C(=O)NC(=S)N(CC(C)C)C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000920977625 1068933548 /nfs/dbraw/zinc/93/35/48/1068933548.db2.gz FKNXJRYUUATLRV-PTNGSMBKSA-N 0 0 482.584 0.911 20 10 JCCDRN COc1ccc(NC=C2C(=O)NC(=S)N(CC(C)C)C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000920977628 1068934211 /nfs/dbraw/zinc/93/42/11/1068934211.db2.gz FKNXJRYUUATLRV-RVDMUPIBSA-N 0 0 482.584 0.911 20 10 JCCDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000920977713 1068933998 /nfs/dbraw/zinc/93/39/98/1068933998.db2.gz IAUBCVABIAVMJT-PTNGSMBKSA-N 0 0 482.584 0.911 20 10 JCCDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000920977715 1068933961 /nfs/dbraw/zinc/93/39/61/1068933961.db2.gz IAUBCVABIAVMJT-RVDMUPIBSA-N 0 0 482.584 0.911 20 10 JCCDRN O=C1NC(=S)NC(=O)C1=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F ZINC000920977781 1068934313 /nfs/dbraw/zinc/93/43/13/1068934313.db2.gz MKHZXMUCPBSLHO-UHFFFAOYSA-N 0 0 494.473 0.475 20 10 JCCDRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC=C2C(=O)NC(=S)N(CCOC)C2=O)c1 ZINC000920977814 1068934328 /nfs/dbraw/zinc/93/43/28/1068934328.db2.gz ORYAWCZTGXPLJL-OWBHPGMISA-N 0 0 470.573 0.911 20 10 JCCDRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC=C2C(=O)NC(=S)N(CCOC)C2=O)c1 ZINC000920977815 1068933924 /nfs/dbraw/zinc/93/39/24/1068933924.db2.gz ORYAWCZTGXPLJL-WYMLVPIESA-N 0 0 470.573 0.911 20 10 JCCDRN COCCN1C(=O)C(=CNc2cccc(S(=O)(=O)NC3=NCCC3)c2)C(=O)NC1=S ZINC000920978055 1068933852 /nfs/dbraw/zinc/93/38/52/1068933852.db2.gz RUJZRNHFFCBHFD-KAMYIIQDSA-N 0 0 451.530 0.343 20 10 JCCDRN COCCN1C(=O)C(=CNc2cccc(S(=O)(=O)NC3=NCCC3)c2)C(=O)NC1=S ZINC000920978056 1068934107 /nfs/dbraw/zinc/93/41/07/1068934107.db2.gz RUJZRNHFFCBHFD-SDNWHVSQSA-N 0 0 451.530 0.343 20 10 JCCDRN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000920978634 1068934260 /nfs/dbraw/zinc/93/42/60/1068934260.db2.gz AJWCAQFHMAMMCB-UHFFFAOYSA-N 0 0 466.516 0.841 20 10 JCCDRN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC=C1C(=O)NC(=S)N(CCOC)C1=O ZINC000920978677 1068934035 /nfs/dbraw/zinc/93/40/35/1068934035.db2.gz CVPMFWPTVITIRH-CSKARUKUSA-N 0 0 454.530 0.778 20 10 JCCDRN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC=C1C(=O)NC(=S)N(CCOC)C1=O ZINC000920978678 1068934191 /nfs/dbraw/zinc/93/41/91/1068934191.db2.gz CVPMFWPTVITIRH-NTMALXAHSA-N 0 0 454.530 0.778 20 10 JCCDRN COCCN1C(=O)C(=CNc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C(=O)NC1=S ZINC000920978748 1068933887 /nfs/dbraw/zinc/93/38/87/1068933887.db2.gz OWMLBBPHUMUMOC-JUACWREWSA-N 0 0 482.584 0.670 20 10 JCCDRN COCCN1C(=O)C(=CNc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)C(=O)NC1=S ZINC000920978749 1068934283 /nfs/dbraw/zinc/93/42/83/1068934283.db2.gz OWMLBBPHUMUMOC-UQROUUEPSA-N 0 0 482.584 0.670 20 10 JCCDRN COCCN1C(=O)C(=CNc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C(=O)NC1=S ZINC000920978750 1068934075 /nfs/dbraw/zinc/93/40/75/1068934075.db2.gz OWMLBBPHUMUMOC-VXSPAKRUSA-N 0 0 482.584 0.670 20 10 JCCDRN COCCN1C(=O)C(=CNc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)C(=O)NC1=S ZINC000920978751 1068934164 /nfs/dbraw/zinc/93/41/64/1068934164.db2.gz OWMLBBPHUMUMOC-ZJLQCSDHSA-N 0 0 482.584 0.670 20 10 JCCDRN CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC=C1C(=O)NC(=S)N(CCOC)C1=O ZINC000920978797 1068934268 /nfs/dbraw/zinc/93/42/68/1068934268.db2.gz IPMCUMGWWRHKAM-FYWRMAATSA-N 0 0 497.599 0.325 20 10 JCCDRN CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC=C1C(=O)NC(=S)N(CCOC)C1=O ZINC000920978800 1068934128 /nfs/dbraw/zinc/93/41/28/1068934128.db2.gz IPMCUMGWWRHKAM-SQFISAMPSA-N 0 0 497.599 0.325 20 10 JCCDRN COCCN1C(=O)C(=CNc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C(=O)NC1=S ZINC000920978844 1068934296 /nfs/dbraw/zinc/93/42/96/1068934296.db2.gz KGSHUQJTYJYFHK-ACCUITESSA-N 0 0 472.520 0.032 20 10 JCCDRN COCCN1C(=O)C(=CNc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C(=O)NC1=S ZINC000920978849 1068934226 /nfs/dbraw/zinc/93/42/26/1068934226.db2.gz KGSHUQJTYJYFHK-QBFSEMIESA-N 0 0 472.520 0.032 20 10 JCCDRN COCCN1C(=O)C(=CNc2cc(S(=O)(=O)N3CCCC3)ccc2O)C(=O)NC1=S ZINC000920978951 1068934242 /nfs/dbraw/zinc/93/42/42/1068934242.db2.gz XCEAUROWZLVVCZ-ACCUITESSA-N 0 0 454.530 0.362 20 10 JCCDRN COCCN1C(=O)C(=CNc2cc(S(=O)(=O)N3CCCC3)ccc2O)C(=O)NC1=S ZINC000920978952 1068934858 /nfs/dbraw/zinc/93/48/58/1068934858.db2.gz XCEAUROWZLVVCZ-QBFSEMIESA-N 0 0 454.530 0.362 20 10 JCCDRN CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000920979021 1068934595 /nfs/dbraw/zinc/93/45/95/1068934595.db2.gz QJWSYCVDGMUOPT-UHFFFAOYSA-N 0 0 451.505 0.486 20 10 JCCDRN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC=C1C(=O)NC(=S)NC1=O ZINC000920979049 1068934746 /nfs/dbraw/zinc/93/47/46/1068934746.db2.gz RTAKHAIOUKFWTP-UHFFFAOYSA-N 0 0 454.530 0.321 20 10 JCCDRN O=C1NC(=S)NC(=O)C1=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 ZINC000920979058 1068934767 /nfs/dbraw/zinc/93/47/67/1068934767.db2.gz SDRIOOUARJAIHI-CYBMUJFWSA-N 0 0 495.583 0.125 20 10 JCCDRN O=C1NC(=S)NC(=O)C1=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 ZINC000920979059 1068934828 /nfs/dbraw/zinc/93/48/28/1068934828.db2.gz SDRIOOUARJAIHI-ZDUSSCGKSA-N 0 0 495.583 0.125 20 10 JCCDRN CCNc1ccc(S(=O)(=O)N(C)C)cc1NC=C1C(=O)NC(=S)N(CCOC)C1=O ZINC000920979080 1068934667 /nfs/dbraw/zinc/93/46/67/1068934667.db2.gz TZLCJIBUIJDPJG-ACCUITESSA-N 0 0 455.562 0.554 20 10 JCCDRN CCNc1ccc(S(=O)(=O)N(C)C)cc1NC=C1C(=O)NC(=S)N(CCOC)C1=O ZINC000920979081 1068935029 /nfs/dbraw/zinc/93/50/29/1068935029.db2.gz TZLCJIBUIJDPJG-QBFSEMIESA-N 0 0 455.562 0.554 20 10 JCCDRN CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC=C1C(=O)NC(=S)NC1=O ZINC000920979090 1068934991 /nfs/dbraw/zinc/93/49/91/1068934991.db2.gz UOTKTOXPOXYVDJ-UHFFFAOYSA-N 0 0 467.573 0.602 20 10 JCCDRN CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC=C1C(=O)NC(=S)NC1=O ZINC000920979118 1068934888 /nfs/dbraw/zinc/93/48/88/1068934888.db2.gz WNULCQLXEHJEKG-UHFFFAOYSA-N 0 0 467.573 0.746 20 10 JCCDRN CCN1C(=O)C(=CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)N(CC)C1=S ZINC000920979184 1068934640 /nfs/dbraw/zinc/93/46/40/1068934640.db2.gz ADAGPLPFLLPVQW-UHFFFAOYSA-N 0 0 466.585 0.677 20 10 JCCDRN CN1C(=O)C(=CNc2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)C(=O)N(C)C1=O ZINC000920979191 1068934694 /nfs/dbraw/zinc/93/46/94/1068934694.db2.gz AKPWRSJMVLRBQI-UHFFFAOYSA-N 0 0 457.468 0.933 20 10 JCCDRN COCCN1C(=O)C(=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2C)C(=O)NC1=S ZINC000920979282 1068934921 /nfs/dbraw/zinc/93/49/21/1068934921.db2.gz DZSSXPVYYGBYJM-NTCAYCPXSA-N 0 0 468.557 0.201 20 10 JCCDRN COCCN1C(=O)C(=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2C)C(=O)NC1=S ZINC000920979283 1068934964 /nfs/dbraw/zinc/93/49/64/1068934964.db2.gz DZSSXPVYYGBYJM-QINSGFPZSA-N 0 0 468.557 0.201 20 10 JCCDRN CC(C)CN1C(=O)C(=CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)NC1=S ZINC000920979399 1068934706 /nfs/dbraw/zinc/93/47/06/1068934706.db2.gz KYTAVFLPSCMRMB-ATVHPVEESA-N 0 0 466.585 0.580 20 10 JCCDRN CC(C)CN1C(=O)C(=CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)NC1=S ZINC000920979400 1068934611 /nfs/dbraw/zinc/93/46/11/1068934611.db2.gz KYTAVFLPSCMRMB-SFQUDFHCSA-N 0 0 466.585 0.580 20 10 JCCDRN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC=C2C(=O)NC(=S)N(CCOC)C2=O)c1 ZINC000920979466 1068935011 /nfs/dbraw/zinc/93/50/11/1068935011.db2.gz OEYJPIVQCZRCOG-FYWRMAATSA-N 0 0 483.616 0.969 20 10 JCCDRN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC=C2C(=O)NC(=S)N(CCOC)C2=O)c1 ZINC000920979467 1068934795 /nfs/dbraw/zinc/93/47/95/1068934795.db2.gz OEYJPIVQCZRCOG-SQFISAMPSA-N 0 0 483.616 0.969 20 10 JCCDRN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000920979499 1068934655 /nfs/dbraw/zinc/93/46/55/1068934655.db2.gz AUAJLGLCHUATSX-UHFFFAOYSA-N 0 0 452.489 0.452 20 10 JCCDRN COCCN1C(=O)C(=CNc2ccc(S(=O)(=O)N[C@H](C)COC)cc2)C(=O)NC1=S ZINC000920979817 1068934723 /nfs/dbraw/zinc/93/47/23/1068934723.db2.gz JUPXFLJXZHTWJI-DYTQJMLRSA-N 0 0 456.546 0.185 20 10 JCCDRN COCCN1C(=O)C(=CNc2ccc(S(=O)(=O)N[C@@H](C)COC)cc2)C(=O)NC1=S ZINC000920979821 1068934948 /nfs/dbraw/zinc/93/49/48/1068934948.db2.gz JUPXFLJXZHTWJI-GQVHDAKQSA-N 0 0 456.546 0.185 20 10 JCCDRN COCCN1C(=O)C(=CNc2ccc(S(=O)(=O)N[C@H](C)COC)cc2)C(=O)NC1=S ZINC000920979823 1068935495 /nfs/dbraw/zinc/93/54/95/1068935495.db2.gz JUPXFLJXZHTWJI-JXCQQFQQSA-N 0 0 456.546 0.185 20 10 JCCDRN COCCN1C(=O)C(=CNc2ccc(S(=O)(=O)N[C@@H](C)COC)cc2)C(=O)NC1=S ZINC000920979825 1068935706 /nfs/dbraw/zinc/93/57/06/1068935706.db2.gz JUPXFLJXZHTWJI-XBUHWIKASA-N 0 0 456.546 0.185 20 10 JCCDRN O=C1NC(=S)NC(=O)C1=CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000920979961 1068935761 /nfs/dbraw/zinc/93/57/61/1068935761.db2.gz NWFMLVRPTYZGBS-UHFFFAOYSA-N 0 0 479.584 0.525 20 10 JCCDRN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC=C1C(=O)NC(=S)N(CCOC)C1=O ZINC000920980127 1068935678 /nfs/dbraw/zinc/93/56/78/1068935678.db2.gz YBUAKKJBSMUHTN-FYWRMAATSA-N 0 0 498.583 0.292 20 10 JCCDRN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC=C1C(=O)NC(=S)N(CCOC)C1=O ZINC000920980128 1068935652 /nfs/dbraw/zinc/93/56/52/1068935652.db2.gz YBUAKKJBSMUHTN-SQFISAMPSA-N 0 0 498.583 0.292 20 10 JCCDRN CCN(CC)S(=O)(=O)c1ccc(NC)c(NC=C2C(=O)NC(=S)N(CCOC)C2=O)c1 ZINC000920980137 1068935383 /nfs/dbraw/zinc/93/53/83/1068935383.db2.gz YNLSUPCUAPFNKJ-OWBHPGMISA-N 0 0 469.589 0.944 20 10 JCCDRN CCN(CC)S(=O)(=O)c1ccc(NC)c(NC=C2C(=O)NC(=S)N(CCOC)C2=O)c1 ZINC000920980138 1068935771 /nfs/dbraw/zinc/93/57/71/1068935771.db2.gz YNLSUPCUAPFNKJ-WYMLVPIESA-N 0 0 469.589 0.944 20 10 JCCDRN CCN1C(=O)C(=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2O)C(=O)N(CC)C1=S ZINC000920980337 1068935639 /nfs/dbraw/zinc/93/56/39/1068935639.db2.gz JGOJNDQTHWCEMF-UHFFFAOYSA-N 0 0 468.557 0.704 20 10 JCCDRN CCN(CC)c1ccc(S(N)(=O)=O)cc1NC=C1C(=O)NC(=S)N(CCOC)C1=O ZINC000920980403 1068935426 /nfs/dbraw/zinc/93/54/26/1068935426.db2.gz MBFFQOGPTMDSOE-ACCUITESSA-N 0 0 455.562 0.366 20 10 JCCDRN CCN(CC)c1ccc(S(N)(=O)=O)cc1NC=C1C(=O)NC(=S)N(CCOC)C1=O ZINC000920980404 1068935459 /nfs/dbraw/zinc/93/54/59/1068935459.db2.gz MBFFQOGPTMDSOE-QBFSEMIESA-N 0 0 455.562 0.366 20 10 JCCDRN COCCN1C(=O)C(=CNc2ccc(N3CCOCC3)cc2N2CCOCC2)C(=O)NC1=S ZINC000920980574 1068935748 /nfs/dbraw/zinc/93/57/48/1068935748.db2.gz QNCXTZLEVLYHPC-BMRADRMJSA-N 0 0 475.571 0.545 20 10 JCCDRN COCCN1C(=O)C(=CNc2ccc(N3CCOCC3)cc2N2CCOCC2)C(=O)NC1=S ZINC000920980575 1068935725 /nfs/dbraw/zinc/93/57/25/1068935725.db2.gz QNCXTZLEVLYHPC-ICFOKQHNSA-N 0 0 475.571 0.545 20 10 JCCDRN CC(C)CN1C(=O)C(=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2O)C(=O)NC1=S ZINC000920980694 1068935518 /nfs/dbraw/zinc/93/55/18/1068935518.db2.gz WMFBFZJOYSTKOR-GXDHUFHOSA-N 0 0 468.557 0.608 20 10 JCCDRN CC(C)CN1C(=O)C(=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2O)C(=O)NC1=S ZINC000920980695 1068935591 /nfs/dbraw/zinc/93/55/91/1068935591.db2.gz WMFBFZJOYSTKOR-UVTDQMKNSA-N 0 0 468.557 0.608 20 10 JCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000921031173 1068936729 /nfs/dbraw/zinc/93/67/29/1068936729.db2.gz OUZZEXDBMJBYLQ-UHFFFAOYSA-N 0 0 498.652 0.917 20 10 JCCDRN COC(=O)c1cc2ccccc2c(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1O ZINC000921045304 1068939597 /nfs/dbraw/zinc/93/95/97/1068939597.db2.gz KUFVXGKJITUHJN-INIZCTEOSA-N 0 0 482.580 0.967 20 10 JCCDRN COC(=O)c1cc2ccccc2c(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1O ZINC000921045305 1068939554 /nfs/dbraw/zinc/93/95/54/1068939554.db2.gz KUFVXGKJITUHJN-MRXNPFEDSA-N 0 0 482.580 0.967 20 10 JCCDRN CS(=O)(=O)c1nc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c2ccccn21 ZINC000921165264 1068952354 /nfs/dbraw/zinc/95/23/54/1068952354.db2.gz PINQQWMYIAYHJA-UHFFFAOYSA-N 0 0 462.553 0.903 20 10 JCCDRN COc1ccc(N2CCN(C(=O)COC(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)cc1 ZINC000921177144 1068955296 /nfs/dbraw/zinc/95/52/96/1068955296.db2.gz AQEQWMKJDLKBKI-UHFFFAOYSA-N 0 0 473.507 0.732 20 10 JCCDRN COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C ZINC000921208572 1068957701 /nfs/dbraw/zinc/95/77/01/1068957701.db2.gz IWWYFZWFEBFXKA-GOSISDBHSA-N 0 0 462.528 0.288 20 10 JCCDRN COC(=O)C[C@H]1C(=O)NCCN1CC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C ZINC000921208573 1068957916 /nfs/dbraw/zinc/95/79/16/1068957916.db2.gz IWWYFZWFEBFXKA-SFHVURJKSA-N 0 0 462.528 0.288 20 10 JCCDRN CCCCN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000921234147 1068960080 /nfs/dbraw/zinc/96/00/80/1068960080.db2.gz OREVSTWDWUGPGM-UHFFFAOYSA-N 0 0 464.548 0.962 20 10 JCCDRN CCCCn1c(N)c(N(CC(C)C)C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c(=O)[nH]c1=O ZINC000921235861 1068959034 /nfs/dbraw/zinc/95/90/34/1068959034.db2.gz MPCNVDGXMIENRL-UHFFFAOYSA-N 0 0 464.548 0.818 20 10 JCCDRN CCCCN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000921236928 1068958998 /nfs/dbraw/zinc/95/89/98/1068958998.db2.gz RCVIXPQAMHDQMF-UHFFFAOYSA-N 0 0 464.548 0.818 20 10 JCCDRN COCCCN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000921239449 1068960145 /nfs/dbraw/zinc/96/01/45/1068960145.db2.gz HCKISFRICUARNN-UHFFFAOYSA-N 0 0 480.547 0.054 20 10 JCCDRN CCCCN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000921240097 1068960124 /nfs/dbraw/zinc/96/01/24/1068960124.db2.gz WOKGRYXFSWEUKT-UHFFFAOYSA-N 0 0 450.521 0.572 20 10 JCCDRN CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC001126253244 1068052661 /nfs/dbraw/zinc/05/26/61/1068052661.db2.gz IJZMDQXCHZCZOE-AWEZNQCLSA-N 0 0 455.558 0.610 20 10 JCCDRN CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC001126253245 1068052551 /nfs/dbraw/zinc/05/25/51/1068052551.db2.gz IJZMDQXCHZCZOE-CQSZACIVSA-N 0 0 455.558 0.610 20 10 JCCDRN CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)C1=CC=CN3CCS(=O)(=O)N=C13)CCC2 ZINC001126414338 1068472367 /nfs/dbraw/zinc/47/23/67/1068472367.db2.gz KXJACRUYQLTTPK-UHFFFAOYSA-N 0 0 450.542 0.714 20 10 JCCDRN COc1ccc(C(=O)NC2=S=C(C(=O)NCC3CCN(S(C)(=O)=O)CC3)C=C2)cc1 ZINC001127775047 1069263034 /nfs/dbraw/zinc/26/30/34/1069263034.db2.gz FGRWZHGATWDULR-UHFFFAOYSA-N 0 0 451.570 0.818 20 10 JCCDRN COC(=O)CC1(NC(=O)C2=S=C(NC(=O)c3ccco3)C=C2C)CCS(=O)(=O)CC1 ZINC001128211203 1069491950 /nfs/dbraw/zinc/49/19/50/1069491950.db2.gz IYXAERMBFKKCDN-UHFFFAOYSA-N 0 0 454.526 0.632 20 10 JCCDRN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(=O)c(OC)co3)CC2)cc1 ZINC001130659934 1070154139 /nfs/dbraw/zinc/15/41/39/1070154139.db2.gz NLKPXBYUDXGGIH-UHFFFAOYSA-N 0 0 451.501 0.539 20 10 JCCDRN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3nnc4ccccc4n3)CC2)cc1 ZINC001130660043 1070154223 /nfs/dbraw/zinc/15/42/23/1070154223.db2.gz QXKQXLRCHUMDMW-UHFFFAOYSA-N 0 0 456.528 0.915 20 10 JCCDRN CCO[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCOC1 ZINC001130865219 1070160350 /nfs/dbraw/zinc/16/03/50/1070160350.db2.gz KHENIFGEYZYUGS-FXAWDEMLSA-N 0 0 455.577 0.705 20 10 JCCDRN CCO[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCOC1 ZINC001130865220 1070160410 /nfs/dbraw/zinc/16/04/10/1070160410.db2.gz KHENIFGEYZYUGS-PXNSSMCTSA-N 0 0 455.577 0.705 20 10 JCCDRN CCO[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCOC1 ZINC001130865221 1070160429 /nfs/dbraw/zinc/16/04/29/1070160429.db2.gz KHENIFGEYZYUGS-XLIONFOSSA-N 0 0 455.577 0.705 20 10 JCCDRN CCO[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCOC1 ZINC001130865222 1070160468 /nfs/dbraw/zinc/16/04/68/1070160468.db2.gz KHENIFGEYZYUGS-YLJYHZDGSA-N 0 0 455.577 0.705 20 10 JCCDRN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cn3ncc4cccnc43)CC2)cc1 ZINC001130865794 1070160579 /nfs/dbraw/zinc/16/05/79/1070160579.db2.gz VQUPMAYXOVXOQI-UHFFFAOYSA-N 0 0 458.544 0.708 20 10 JCCDRN Cn1nc2c(c1C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CS(=O)(=O)CC2 ZINC001130979723 1070164206 /nfs/dbraw/zinc/16/42/06/1070164206.db2.gz DATGNGBVSAJPCI-UHFFFAOYSA-N 0 0 452.558 0.056 20 10 JCCDRN CN1C(=O)CO[C@H](C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@H]1c1cccnc1 ZINC001133629584 1070241064 /nfs/dbraw/zinc/24/10/64/1070241064.db2.gz FPUJVPNNPJWROA-YADHBBJMSA-N 0 0 451.527 0.998 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)[C@H]3OCC(=O)N(C)[C@@H]3c3cccnc3)CC2)cc1 ZINC001136453915 1070340166 /nfs/dbraw/zinc/34/01/66/1070340166.db2.gz BPLSNSDSYRNIJT-PKTZIBPZSA-N 0 0 453.543 0.927 20 10 JCCDRN Cc1cc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccccn1 ZINC001136949443 1070383242 /nfs/dbraw/zinc/38/32/42/1070383242.db2.gz VCSKGVBNBZRNFZ-GOSISDBHSA-N 0 0 459.572 0.550 20 10 JCCDRN Cc1cc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccccn1 ZINC001136949444 1070383179 /nfs/dbraw/zinc/38/31/79/1070383179.db2.gz VCSKGVBNBZRNFZ-SFHVURJKSA-N 0 0 459.572 0.550 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)CC2)cc1 ZINC001137554494 1071277194 /nfs/dbraw/zinc/27/71/94/1071277194.db2.gz HKPNPDKLAGQAGV-IWAYRVGRSA-N 0 0 450.561 0.298 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)CC2)cc1 ZINC001137554495 1071277378 /nfs/dbraw/zinc/27/73/78/1071277378.db2.gz HKPNPDKLAGQAGV-OZSKJFCKSA-N 0 0 450.561 0.298 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)CC2)cc1 ZINC001137554496 1071277135 /nfs/dbraw/zinc/27/71/35/1071277135.db2.gz HKPNPDKLAGQAGV-QWPQOLDESA-N 0 0 450.561 0.298 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)CC2)cc1 ZINC001137554497 1071277396 /nfs/dbraw/zinc/27/73/96/1071277396.db2.gz HKPNPDKLAGQAGV-ZPUOCTKUSA-N 0 0 450.561 0.298 20 10 JCCDRN CC(=O)N1CCN(c2ccc(CNC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1 ZINC001138228502 1071301490 /nfs/dbraw/zinc/30/14/90/1071301490.db2.gz BSWUPIQFEIQLIB-UHFFFAOYSA-N 0 0 456.524 0.816 20 10 JCCDRN CC(=O)N1CCN(c2ccc(CNC(=O)CCc3nc4c([nH]3)n(C)c(=O)[nH]c4=O)cc2)CC1 ZINC001138228780 1071301336 /nfs/dbraw/zinc/30/13/36/1071301336.db2.gz KPPYAWALIKMIBQ-UHFFFAOYSA-N 0 0 453.503 0.280 20 10 JCCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)cc2)CC1 ZINC001138229123 1071301458 /nfs/dbraw/zinc/30/14/58/1071301458.db2.gz VMVHNOATVLHJJT-UHFFFAOYSA-N 0 0 458.540 0.544 20 10 JCCDRN O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@@H]21)N1CCOCC1 ZINC001138495434 1071308391 /nfs/dbraw/zinc/30/83/91/1071308391.db2.gz CGHBJQDUHBOXAK-BHDDXSALSA-N 0 0 463.600 0.617 20 10 JCCDRN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@@H]21)N1CCOCC1 ZINC001138495439 1071308315 /nfs/dbraw/zinc/30/83/15/1071308315.db2.gz CGHBJQDUHBOXAK-YPAWHYETSA-N 0 0 463.600 0.617 20 10 JCCDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1)C(=O)NCC(N)=O ZINC001138499111 1071308954 /nfs/dbraw/zinc/30/89/54/1071308954.db2.gz XOOPQAFODLQACG-SFTDATJTSA-N 0 0 459.591 0.620 20 10 JCCDRN CNC(=O)CN1CCO[C@H]2CN(Cc3ccc(N4CCOCC4)c(Br)c3)C[C@H]21 ZINC001138678264 1071309659 /nfs/dbraw/zinc/30/96/59/1071309659.db2.gz PPCGMYOPKFMPAT-MOPGFXCFSA-N 0 0 453.381 0.917 20 10 JCCDRN COc1ccc(C(=O)NC2=S=C(C(=O)N[C@@H]3CCC[C@@H]3CNS(C)(=O)=O)C=C2)cc1 ZINC001138746869 1071310423 /nfs/dbraw/zinc/31/04/23/1071310423.db2.gz AJHGMFAAMXQKSO-GDBMZVCRSA-N 0 0 451.570 0.864 20 10 JCCDRN COc1ccc(C(=O)NC2=S=C(C(=O)N[C@@H]3CCC[C@H]3CNS(C)(=O)=O)C=C2)cc1 ZINC001138746870 1071310300 /nfs/dbraw/zinc/31/03/00/1071310300.db2.gz AJHGMFAAMXQKSO-GOEBONIOSA-N 0 0 451.570 0.864 20 10 JCCDRN COc1ccc(C(=O)NC2=S=C(C(=O)N[C@H]3CCC[C@H]3CNS(C)(=O)=O)C=C2)cc1 ZINC001138746871 1071310381 /nfs/dbraw/zinc/31/03/81/1071310381.db2.gz AJHGMFAAMXQKSO-HOCLYGCPSA-N 0 0 451.570 0.864 20 10 JCCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001139125307 1071315336 /nfs/dbraw/zinc/31/53/36/1071315336.db2.gz CAZDLLQWWOXAAZ-MBOZVWFJSA-N 0 0 476.551 0.901 20 10 JCCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001139125310 1071315135 /nfs/dbraw/zinc/31/51/35/1071315135.db2.gz CAZDLLQWWOXAAZ-SQGPQFPESA-N 0 0 476.551 0.901 20 10 JCCDRN COC(=O)[C@]12CN(C(=O)/C=C\C(=O)N3CCN(c4ccc(OC)cc4)CC3)C[C@H]1COCC2 ZINC001139798325 1071318772 /nfs/dbraw/zinc/31/87/72/1071318772.db2.gz LMVZFJGGWMYQDB-KCLVWISNSA-N 0 0 457.527 0.938 20 10 JCCDRN COC(=O)[C@]12CN(C(=O)/C=C/C(=O)N3CCN(c4ccc(OC)cc4)CC3)C[C@H]1COCC2 ZINC001139798327 1071318691 /nfs/dbraw/zinc/31/86/91/1071318691.db2.gz LMVZFJGGWMYQDB-ZDEXPXCKSA-N 0 0 457.527 0.938 20 10 JCCDRN C/C=C/C=C/C(=O)N(CCc1ccc(N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001144002018 1070411879 /nfs/dbraw/zinc/41/18/79/1070411879.db2.gz LOZIQKBHWALTML-VGOVTYOGSA-N 0 0 480.525 0.728 20 10 JCCDRN CSCCC(=O)N(CCc1ccc(N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001144054342 1070412871 /nfs/dbraw/zinc/41/28/71/1070412871.db2.gz IMTNPSZQFIQJPH-CIVUBGFFSA-N 0 0 488.570 0.349 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC3CCN(CC(=O)N(C)C)CC3)CC2)cc1 ZINC001144085494 1070414498 /nfs/dbraw/zinc/41/44/98/1070414498.db2.gz XWQISTKSAGOJAX-CMDGGOBGSA-N 0 0 457.575 0.569 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC3CCN(CC(=O)N(C)C)CC3)CC2)cc1 ZINC001144085495 1070414529 /nfs/dbraw/zinc/41/45/29/1070414529.db2.gz XWQISTKSAGOJAX-HJWRWDBZSA-N 0 0 457.575 0.569 20 10 JCCDRN O=C(COCc1nnn2c1CN(C(=O)CN1C(=O)CSC1=S)CCC2)N1CCCC1 ZINC001144841305 1070447199 /nfs/dbraw/zinc/44/71/99/1070447199.db2.gz BAXWOMCTGMZNJT-UHFFFAOYSA-N 0 0 452.562 0.010 20 10 JCCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@H]2OC[C@@H](C(=O)NCCc3ccccn3)C[C@H]2C1 ZINC001144841339 1070447130 /nfs/dbraw/zinc/44/71/30/1070447130.db2.gz CEYLZEMTWRPJFJ-YQQAZPJKSA-N 0 0 462.597 0.854 20 10 JCCDRN Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)CN2C(=O)CSC2=S)C3)nn1 ZINC001144841389 1070447094 /nfs/dbraw/zinc/44/70/94/1070447094.db2.gz FIEMHWSXHHQZGJ-AUUYWEPGSA-N 0 0 451.574 0.691 20 10 JCCDRN Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(=O)CN2C(=O)CSC2=S)C3)nn1 ZINC001144841390 1070447207 /nfs/dbraw/zinc/44/72/07/1070447207.db2.gz FIEMHWSXHHQZGJ-IFXJQAMLSA-N 0 0 451.574 0.691 20 10 JCCDRN Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)CN2C(=O)CSC2=S)C3)nn1 ZINC001144841391 1070447193 /nfs/dbraw/zinc/44/71/93/1070447193.db2.gz FIEMHWSXHHQZGJ-KUHUBIRLSA-N 0 0 451.574 0.691 20 10 JCCDRN Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(C(=O)CN2C(=O)CSC2=S)C3)nn1 ZINC001144841392 1070447853 /nfs/dbraw/zinc/44/78/53/1070447853.db2.gz FIEMHWSXHHQZGJ-LIRRHRJNSA-N 0 0 451.574 0.691 20 10 JCCDRN CN(C)C(=O)CN1CC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)C[C@H]2c2ccccc2)C1=O ZINC001144841425 1070447887 /nfs/dbraw/zinc/44/78/87/1070447887.db2.gz GPNZJDDDVPPANE-KSFYIVLOSA-N 0 0 474.608 0.780 20 10 JCCDRN CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)CN1C(=O)CSC1=S)C[C@]21CCNC1=O ZINC001144841486 1070447916 /nfs/dbraw/zinc/44/79/16/1070447916.db2.gz JADJOBBYUZWAHL-IBGZPJMESA-N 0 0 454.574 0.432 20 10 JCCDRN CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)CN1C(=O)CSC1=S)C[C@@]21CCNC1=O ZINC001144841487 1070447880 /nfs/dbraw/zinc/44/78/80/1070447880.db2.gz JADJOBBYUZWAHL-LJQANCHMSA-N 0 0 454.574 0.432 20 10 JCCDRN O=C(CN1C(=O)CSC1=S)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001144841521 1070447792 /nfs/dbraw/zinc/44/77/92/1070447792.db2.gz KGZRQGPXRJFNEX-GUXCAODWSA-N 0 0 481.621 0.473 20 10 JCCDRN COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)CN1C(=O)CSC1=S)CC2 ZINC001144841524 1070447902 /nfs/dbraw/zinc/44/79/02/1070447902.db2.gz KICITZREXCNYTN-CYBMUJFWSA-N 0 0 461.631 0.668 20 10 JCCDRN COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)CN1C(=O)CSC1=S)CC2 ZINC001144841525 1070447833 /nfs/dbraw/zinc/44/78/33/1070447833.db2.gz KICITZREXCNYTN-ZDUSSCGKSA-N 0 0 461.631 0.668 20 10 JCCDRN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001144841810 1070447892 /nfs/dbraw/zinc/44/78/92/1070447892.db2.gz WFOFRKBMVAAREJ-AWEZNQCLSA-N 0 0 453.590 0.055 20 10 JCCDRN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001144841811 1070447801 /nfs/dbraw/zinc/44/78/01/1070447801.db2.gz WFOFRKBMVAAREJ-CQSZACIVSA-N 0 0 453.590 0.055 20 10 JCCDRN CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)CN1C(=O)CSC1=S)CCC2 ZINC001144841833 1070447923 /nfs/dbraw/zinc/44/79/23/1070447923.db2.gz WVYLRYWIRCMJAP-UHFFFAOYSA-N 0 0 451.574 0.498 20 10 JCCDRN O=C(CN1C(=O)CSC1=S)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001144844065 1070447952 /nfs/dbraw/zinc/44/79/52/1070447952.db2.gz LGDPCRVNPJYTSJ-UHFFFAOYSA-N 0 0 461.525 0.359 20 10 JCCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@H]2OCC[C@@H](C(=O)NCCc3ccncc3)[C@@H]2C1 ZINC001144844214 1070447861 /nfs/dbraw/zinc/44/78/61/1070447861.db2.gz NPJLWJYDEAKJBG-IXDOHACOSA-N 0 0 462.597 0.854 20 10 JCCDRN COc1ncnc(N(C(=O)CN2C(=O)CSC2=S)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001144847542 1070448796 /nfs/dbraw/zinc/44/87/96/1070448796.db2.gz USNRAZJEUKGQPG-UHFFFAOYSA-N 0 0 483.553 0.658 20 10 JCCDRN Nc1ccc(S(=O)(=O)N=c2cncc(Cl)n2C(=O)CN2C(=O)CSC2=S)cc1 ZINC001144847595 1070448697 /nfs/dbraw/zinc/44/86/97/1070448697.db2.gz WYELJVXEOFBWGE-UHFFFAOYSA-N 0 0 457.946 0.909 20 10 JCCDRN CC(C)(C)OC(=O)N1CCCn2c(=O)cc(CNC(=O)CN3C(=O)CSC3=S)nc2C1 ZINC001144847750 1070448718 /nfs/dbraw/zinc/44/87/18/1070448718.db2.gz ZIBGGHRKOLVBCD-UHFFFAOYSA-N 0 0 467.573 0.861 20 10 JCCDRN CCOC(=O)[C@H](NC(=O)CN1C(=O)CSC1=S)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001144848288 1070448684 /nfs/dbraw/zinc/44/86/84/1070448684.db2.gz KGPQHPOXBYXELX-CABCVRRESA-N 0 0 460.555 0.032 20 10 JCCDRN O=C(CN1C(=O)CSC1=S)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC001144848296 1070448765 /nfs/dbraw/zinc/44/87/65/1070448765.db2.gz KMEQQQOMUIHTCK-ZDUSSCGKSA-N 0 0 468.532 0.964 20 10 JCCDRN COc1nccn(C(=O)CN2C(=O)CSC2=S)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001144849730 1070448775 /nfs/dbraw/zinc/44/87/75/1070448775.db2.gz GBZANYDKQNETQW-UHFFFAOYSA-N 0 0 453.527 0.264 20 10 JCCDRN COc1ccc(N(C(=O)CN2C(=O)CSC2=S)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001144849973 1070448737 /nfs/dbraw/zinc/44/87/37/1070448737.db2.gz LORWPXSRYSVEIH-UHFFFAOYSA-N 0 0 453.527 0.650 20 10 JCCDRN COc1cc(N(C(=O)CN2C(=O)CSC2=S)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001144850126 1070448597 /nfs/dbraw/zinc/44/85/97/1070448597.db2.gz NMEDYYYXTMRUJY-UHFFFAOYSA-N 0 0 483.553 0.658 20 10 JCCDRN Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)CN3C(=O)CSC3=S)ccc12 ZINC001144852570 1070448817 /nfs/dbraw/zinc/44/88/17/1070448817.db2.gz DTPAWKWHQICVMC-UHFFFAOYSA-N 0 0 462.509 0.133 20 10 JCCDRN CC(C)(C)OC(=O)CCOCCOCCOCCNC(=O)CN1C(=O)CSC1=S ZINC001144852604 1070449343 /nfs/dbraw/zinc/44/93/43/1070449343.db2.gz GESHVVYOAWBJDX-UHFFFAOYSA-N 0 0 450.579 0.745 20 10 JCCDRN Cn1nc(Cl)c(I)c(NC(=O)CN2C(=O)CSC2=S)c1=O ZINC001144853084 1070449322 /nfs/dbraw/zinc/44/93/22/1070449322.db2.gz QYPOFGGFDFWWQH-UHFFFAOYSA-N 0 0 458.690 0.837 20 10 JCCDRN COc1ccc(N2CCN(CCCNC(=O)[C@@H]3N4C(=O)C[C@H]4S(=O)(=O)C3(C)C)CC2)cc1 ZINC001146261886 1070499330 /nfs/dbraw/zinc/49/93/30/1070499330.db2.gz ARFZGERZFHUJDJ-UXHICEINSA-N 0 0 464.588 0.458 20 10 JCCDRN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cncc4ncn(C)c43)CC2)cc1 ZINC001146355403 1070502312 /nfs/dbraw/zinc/50/23/12/1070502312.db2.gz BTZHMDHSSREYEM-UHFFFAOYSA-N 0 0 458.544 0.859 20 10 JCCDRN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3=CS(=O)(=O)CCC3)CC2)cc1 ZINC001146355609 1070502333 /nfs/dbraw/zinc/50/23/33/1070502333.db2.gz MEDLUOZQPCSYKZ-UHFFFAOYSA-N 0 0 457.574 0.356 20 10 JCCDRN Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC001146665692 1070524571 /nfs/dbraw/zinc/52/45/71/1070524571.db2.gz KISPNJNQVTTXON-UHFFFAOYSA-N 0 0 451.570 0.825 20 10 JCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001146667166 1070524553 /nfs/dbraw/zinc/52/45/53/1070524553.db2.gz XCGZFOMDALWIMH-GOSISDBHSA-N 0 0 450.542 0.268 20 10 JCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001146667167 1070524431 /nfs/dbraw/zinc/52/44/31/1070524431.db2.gz XCGZFOMDALWIMH-SFHVURJKSA-N 0 0 450.542 0.268 20 10 JCCDRN Nc1ccc(CCN(C(=O)C2CC=CC2)c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 ZINC001146702040 1070524645 /nfs/dbraw/zinc/52/46/45/1070524645.db2.gz CAYVPHKBZXINTN-AGFSROSKSA-N 0 0 480.525 0.562 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)cc1 ZINC001147456152 1070540958 /nfs/dbraw/zinc/54/09/58/1070540958.db2.gz HTOVMDZXPGPCHK-AQKVLALTSA-N 0 0 452.515 0.555 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)CC2)cc1 ZINC001147456153 1070540869 /nfs/dbraw/zinc/54/08/69/1070540869.db2.gz HTOVMDZXPGPCHK-AQWUKCDYSA-N 0 0 452.515 0.555 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)CC2)cc1 ZINC001147456154 1070540774 /nfs/dbraw/zinc/54/07/74/1070540774.db2.gz HTOVMDZXPGPCHK-DUIUGDAFSA-N 0 0 452.515 0.555 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)cc1 ZINC001147456155 1070541039 /nfs/dbraw/zinc/54/10/39/1070541039.db2.gz HTOVMDZXPGPCHK-WHXUGTBJSA-N 0 0 452.515 0.555 20 10 JCCDRN O=C(c1cc(=O)n(-c2ccccc2)[n-]1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001147885690 1070552875 /nfs/dbraw/zinc/55/28/75/1070552875.db2.gz XRTMIAWUPGOZDI-PKOBYXMFSA-N 0 0 480.550 0.611 20 10 JCCDRN CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)c2nonc21 ZINC001147893935 1070552999 /nfs/dbraw/zinc/55/29/99/1070552999.db2.gz VNICTFJIVNRTCS-UHFFFAOYSA-N 0 0 471.499 0.558 20 10 JCCDRN Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)c2cccc(O)c2O)cc1 ZINC001148224856 1070567295 /nfs/dbraw/zinc/56/72/95/1070567295.db2.gz XOFUGKPTIJCLIU-QWJIHBKKSA-N 0 0 497.460 0.582 20 10 JCCDRN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2cc(O)c(O)c(O)c2)CC3)C1=O ZINC001148582175 1070575891 /nfs/dbraw/zinc/57/58/91/1070575891.db2.gz FIAUNPLDPSSARC-FQEVSTJZSA-N 0 0 453.517 0.150 20 10 JCCDRN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2cc(O)c(O)c(O)c2)CC3)C1=O ZINC001148582176 1070575869 /nfs/dbraw/zinc/57/58/69/1070575869.db2.gz FIAUNPLDPSSARC-HXUWFJFHSA-N 0 0 453.517 0.150 20 10 JCCDRN O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001148582559 1070576667 /nfs/dbraw/zinc/57/66/67/1070576667.db2.gz KXNFIINULOQCRE-XDHUDOTRSA-N 0 0 483.525 0.811 20 10 JCCDRN CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)c2nonc21 ZINC001148588591 1070576711 /nfs/dbraw/zinc/57/67/11/1070576711.db2.gz WFEFMBMEEAEZFL-UHFFFAOYSA-N 0 0 463.472 0.552 20 10 JCCDRN COC(=O)CN(CCN1CCOCC1)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001167448253 1067761363 /nfs/dbraw/zinc/76/13/63/1067761363.db2.gz ZWQRRWQQDBNXAR-UHFFFAOYSA-N 0 0 452.527 0.086 20 10 JCCDRN COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169160496 1069947007 /nfs/dbraw/zinc/94/70/07/1069947007.db2.gz GWYKOAYHTJWBQT-HOCLYGCPSA-N 0 0 473.530 0.778 20 10 JCCDRN COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169160497 1069947812 /nfs/dbraw/zinc/94/78/12/1069947812.db2.gz GWYKOAYHTJWBQT-ZBFHGGJFSA-N 0 0 473.530 0.778 20 10 JCCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)c(OC)c1 ZINC001169973116 1070009660 /nfs/dbraw/zinc/00/96/60/1070009660.db2.gz BQURFTULLGXVFE-CVEARBPZSA-N 0 0 451.545 0.388 20 10 JCCDRN COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)c(OC)c1 ZINC001169973117 1070009498 /nfs/dbraw/zinc/00/94/98/1070009498.db2.gz BQURFTULLGXVFE-HOTGVXAUSA-N 0 0 451.545 0.388 20 10 JCCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)c(OC)c1 ZINC001169973118 1070009595 /nfs/dbraw/zinc/00/95/95/1070009595.db2.gz BQURFTULLGXVFE-HZPDHXFCSA-N 0 0 451.545 0.388 20 10 JCCDRN COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)c(OC)c1 ZINC001169973119 1070009482 /nfs/dbraw/zinc/00/94/82/1070009482.db2.gz BQURFTULLGXVFE-JKSUJKDBSA-N 0 0 451.545 0.388 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCCN3CCCS3(=O)=O)CC2)cc1 ZINC001170221612 1070078751 /nfs/dbraw/zinc/07/87/51/1070078751.db2.gz TZWKDRSSOKWNOT-CMDGGOBGSA-N 0 0 450.561 0.442 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCCN3CCCS3(=O)=O)CC2)cc1 ZINC001170221613 1070079376 /nfs/dbraw/zinc/07/93/76/1070079376.db2.gz TZWKDRSSOKWNOT-HJWRWDBZSA-N 0 0 450.561 0.442 20 10 JCCDRN CC(C)(C)OC(=O)N1CCC2(CC1)c1nnnn1C[C@H]2C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001176441496 1068338286 /nfs/dbraw/zinc/33/82/86/1068338286.db2.gz AKBQQSXJWODZGH-AWEZNQCLSA-N 0 0 472.502 0.982 20 10 JCCDRN CC(C)(C)OC(=O)N1CCC2(CC1)c1nnnn1C[C@@H]2C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001176441497 1068338353 /nfs/dbraw/zinc/33/83/53/1068338353.db2.gz AKBQQSXJWODZGH-CQSZACIVSA-N 0 0 472.502 0.982 20 10 JCCDRN CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)NCC(=O)c1ccc(O)c(O)c1)Cn1ccnc12 ZINC001176770596 1068374173 /nfs/dbraw/zinc/37/41/73/1068374173.db2.gz AXOWLSXRHGDVLT-GOSISDBHSA-N 0 0 457.487 0.665 20 10 JCCDRN CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)NCC(=O)c1ccc(O)c(O)c1)Cn1ccnc12 ZINC001176770597 1068373982 /nfs/dbraw/zinc/37/39/82/1068373982.db2.gz AXOWLSXRHGDVLT-SFHVURJKSA-N 0 0 457.487 0.665 20 10 JCCDRN CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)NCCc1cc(O)c(O)cc1O)Cn1ccnc12 ZINC001176770834 1068374494 /nfs/dbraw/zinc/37/44/94/1068374494.db2.gz DRHWPPSAAJGBPR-GOSISDBHSA-N 0 0 459.503 0.730 20 10 JCCDRN CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)NCCc1cc(O)c(O)cc1O)Cn1ccnc12 ZINC001176770835 1068374477 /nfs/dbraw/zinc/37/44/77/1068374477.db2.gz DRHWPPSAAJGBPR-SFHVURJKSA-N 0 0 459.503 0.730 20 10 JCCDRN NC(=O)C1CCN(c2ccc(CNC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1 ZINC001178038818 1068449999 /nfs/dbraw/zinc/44/99/99/1068449999.db2.gz IZCVQRIUOJXAET-UHFFFAOYSA-N 0 0 456.524 0.849 20 10 JCCDRN COc1ccc(N2CC[NH+](CCCNC(=O)c3cc4n(n3)CCCN(CC(=O)[O-])C4=O)CC2)cc1 ZINC001178371570 1068469347 /nfs/dbraw/zinc/46/93/47/1068469347.db2.gz IEGDJBMQIKGQLA-UHFFFAOYSA-N 0 0 484.557 0.764 20 10 JCCDRN C[C@H]1C[C@@H]1C(=O)N(CCc1ccc(N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001178561030 1068492718 /nfs/dbraw/zinc/49/27/18/1068492718.db2.gz BHAOYXCPKKCPQR-UUIJQPLXSA-N 0 0 468.514 0.252 20 10 JCCDRN CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)NCCc1cc(O)c(O)cc1O)CCS2(=O)=O ZINC001179363059 1068563922 /nfs/dbraw/zinc/56/39/22/1068563922.db2.gz UMCCTDGFJXGFCM-CYBMUJFWSA-N 0 0 456.517 0.886 20 10 JCCDRN CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)NCCc1cc(O)c(O)cc1O)CCS2(=O)=O ZINC001179363060 1068563851 /nfs/dbraw/zinc/56/38/51/1068563851.db2.gz UMCCTDGFJXGFCM-ZDUSSCGKSA-N 0 0 456.517 0.886 20 10 JCCDRN CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)NCC(=O)c1ccc(O)c(O)c1)CCS2(=O)=O ZINC001179363589 1068564977 /nfs/dbraw/zinc/56/49/77/1068564977.db2.gz MEKOPYVJFFEVOA-CYBMUJFWSA-N 0 0 454.501 0.821 20 10 JCCDRN CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)NCC(=O)c1ccc(O)c(O)c1)CCS2(=O)=O ZINC001179363590 1068565000 /nfs/dbraw/zinc/56/50/00/1068565000.db2.gz MEKOPYVJFFEVOA-ZDUSSCGKSA-N 0 0 454.501 0.821 20 10 JCCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001179683015 1068580714 /nfs/dbraw/zinc/58/07/14/1068580714.db2.gz HZXIRZDDWMJZLB-JEDCVFLRSA-N 0 0 472.523 0.661 20 10 JCCDRN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC3)C1=O ZINC001179683863 1068580673 /nfs/dbraw/zinc/58/06/73/1068580673.db2.gz BVFIZJCRSGMMCT-LHXJMTLCSA-N 0 0 463.556 0.844 20 10 JCCDRN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC3)C1=O ZINC001179683864 1068580864 /nfs/dbraw/zinc/58/08/64/1068580864.db2.gz BVFIZJCRSGMMCT-UKKYDJSUSA-N 0 0 463.556 0.844 20 10 JCCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001179684431 1068579563 /nfs/dbraw/zinc/57/95/63/1068579563.db2.gz RBKJGMOLBNWMKM-PQCQMXJDSA-N 0 0 450.513 0.232 20 10 JCCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001179684432 1068579708 /nfs/dbraw/zinc/57/97/08/1068579708.db2.gz RBKJGMOLBNWMKM-YRTVOBTNSA-N 0 0 450.513 0.232 20 10 JCCDRN O=S(=O)([C@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001180043430 1068591742 /nfs/dbraw/zinc/59/17/42/1068591742.db2.gz UQARHBIKCIMPIG-FQEVSTJZSA-N 0 0 457.618 0.282 20 10 JCCDRN O=S(=O)([C@@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001180043431 1068591884 /nfs/dbraw/zinc/59/18/84/1068591884.db2.gz UQARHBIKCIMPIG-HXUWFJFHSA-N 0 0 457.618 0.282 20 10 JCCDRN CN(C)c1ccc(/C=C/C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)cc1 ZINC001180125664 1068594856 /nfs/dbraw/zinc/59/48/56/1068594856.db2.gz LXVPOUZYWWMAHJ-IBLUPGQSSA-N 0 0 461.584 0.886 20 10 JCCDRN CN(C)c1ccc(/C=C/C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)cc1 ZINC001180125665 1068594799 /nfs/dbraw/zinc/59/47/99/1068594799.db2.gz LXVPOUZYWWMAHJ-WHAMEAHMSA-N 0 0 461.584 0.886 20 10 JCCDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(N(C)C)cc1)C(=O)NCC(N)=O ZINC001180126574 1068594869 /nfs/dbraw/zinc/59/48/69/1068594869.db2.gz YKOOLLJYXUCDGW-UNERYHBUSA-N 0 0 457.575 0.889 20 10 JCCDRN CN(C)c1ccc(/C=C/C(=O)N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)cc1 ZINC001180130064 1068594437 /nfs/dbraw/zinc/59/44/37/1068594437.db2.gz UBGVCGLXJMRZEG-IFWSYHNASA-N 0 0 467.530 0.407 20 10 JCCDRN CC1(C)C[C@@H]1C(=O)N(CCc1ccc(N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001181299414 1068679198 /nfs/dbraw/zinc/67/91/98/1068679198.db2.gz WXHWWUSPXVNAEP-AXKRAVOISA-N 0 0 482.541 0.642 20 10 JCCDRN CC(C)[C@@H](C)C(=O)N(CCc1ccc(N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001181492735 1068695626 /nfs/dbraw/zinc/69/56/26/1068695626.db2.gz JIIZYTZIAYLCDV-APRPGRFWSA-N 0 0 484.557 0.888 20 10 JCCDRN CC(C)[C@H](C)C(=O)N(CCc1ccc(N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001181492739 1068695651 /nfs/dbraw/zinc/69/56/51/1068695651.db2.gz JIIZYTZIAYLCDV-BNPXBDBPSA-N 0 0 484.557 0.888 20 10 JCCDRN O=C(CCc1ccc(O)c(O)c1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001182154109 1068735640 /nfs/dbraw/zinc/73/56/40/1068735640.db2.gz AXKVFDXYXPZFOD-QFBILLFUSA-N 0 0 474.539 0.580 20 10 JCCDRN O=C(CCc1ccc(O)c(O)c1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001182155250 1068735633 /nfs/dbraw/zinc/73/56/33/1068735633.db2.gz UBVMLTPZZMAXQG-FRQCXROJSA-N 0 0 452.529 0.151 20 10 JCCDRN O=C(CCc1ccc(O)c(O)c1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001182155251 1068735574 /nfs/dbraw/zinc/73/55/74/1068735574.db2.gz UBVMLTPZZMAXQG-GPMSIDNRSA-N 0 0 452.529 0.151 20 10 JCCDRN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)CCc2ccc(O)c(O)c2)CC3)C1=O ZINC001182155558 1068735660 /nfs/dbraw/zinc/73/56/60/1068735660.db2.gz YJJYHCBGBFTDPC-JOCHJYFZSA-N 0 0 465.572 0.763 20 10 JCCDRN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)CCc2ccc(O)c(O)c2)CC3)C1=O ZINC001182155559 1068735525 /nfs/dbraw/zinc/73/55/25/1068735525.db2.gz YJJYHCBGBFTDPC-QFIPXVFZSA-N 0 0 465.572 0.763 20 10 JCCDRN COc1ccc(N2CCN(CCNC(=O)CNS(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC001182627186 1068765343 /nfs/dbraw/zinc/76/53/43/1068765343.db2.gz OIDFFCHCHUWAJX-UHFFFAOYSA-N 0 0 451.549 0.517 20 10 JCCDRN CCN1CCN(C(=O)N[C@@H](C(=O)NCCc2cc(O)c(O)cc2O)c2ccccc2)C(=O)C1=O ZINC001183155293 1068819240 /nfs/dbraw/zinc/81/92/40/1068819240.db2.gz FAHYAQYNZIRPLU-LJQANCHMSA-N 0 0 470.482 0.604 20 10 JCCDRN CCN1CCN(C(=O)N[C@@H](C(=O)NCC(=O)c2ccc(O)c(O)c2)c2ccccc2)C(=O)C1=O ZINC001183155465 1068824377 /nfs/dbraw/zinc/82/43/77/1068824377.db2.gz HCMZLEMSPRTART-LJQANCHMSA-N 0 0 468.466 0.538 20 10 JCCDRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCCc2cc(O)c(O)cc2O)cc1 ZINC001183775804 1068878146 /nfs/dbraw/zinc/87/81/46/1068878146.db2.gz GAENTZMCSLFTCX-KRWDZBQOSA-N 0 0 477.539 0.740 20 10 JCCDRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCC(=O)c2ccc(O)c(O)c2)cc1 ZINC001183777585 1068880967 /nfs/dbraw/zinc/88/09/67/1068880967.db2.gz WAXMTCYGXULKTG-KRWDZBQOSA-N 0 0 475.523 0.675 20 10 JCCDRN Nc1ccc(CCN(C(=O)C2(C3CC3)CC2)c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 ZINC001183803138 1068885187 /nfs/dbraw/zinc/88/51/87/1068885187.db2.gz RHDOOIUFEBQAIZ-ZDXOVATRSA-N 0 0 494.552 0.786 20 10 JCCDRN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)Nc3ccnc4c(N(CCO)CCO)cnn43)cc12 ZINC001184357200 1068916020 /nfs/dbraw/zinc/91/60/20/1068916020.db2.gz UXCJSFOQYOPORT-UHFFFAOYSA-N 0 0 496.524 0.711 20 10 JCCDRN Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)N3CCn4c(COCC(=O)N(C)C)nnc4C3)cc12 ZINC001184358580 1068916151 /nfs/dbraw/zinc/91/61/51/1068916151.db2.gz ANYXIHMYXWQUOM-UHFFFAOYSA-N 0 0 498.540 0.478 20 10 JCCDRN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)N3Cc4[nH]nc(C(=O)N5CCOCC5)c4C3)cc12 ZINC001184358658 1068916495 /nfs/dbraw/zinc/91/64/95/1068916495.db2.gz BKEXWWRMPJQCIG-UHFFFAOYSA-N 0 0 481.509 0.977 20 10 JCCDRN CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)C[N@@H+](C)Cc1cc3c(C)cc(=O)oc3cc1[O-])C2 ZINC001184359003 1068916289 /nfs/dbraw/zinc/91/62/89/1068916289.db2.gz IRCXQPCEGSRCHT-HSZRJFAPSA-N 0 0 456.499 0.188 20 10 JCCDRN CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)C[N@@H+](C)Cc1cc3c(C)cc(=O)oc3cc1[O-])C2 ZINC001184359004 1068916209 /nfs/dbraw/zinc/91/62/09/1068916209.db2.gz IRCXQPCEGSRCHT-QHCPKHFHSA-N 0 0 456.499 0.188 20 10 JCCDRN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)N3CCN(CCCS(C)(=O)=O)CC3)cc12 ZINC001184359122 1068916571 /nfs/dbraw/zinc/91/65/71/1068916571.db2.gz JNQBHKROMCCLBI-UHFFFAOYSA-N 0 0 465.572 0.818 20 10 JCCDRN COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001184359141 1068916425 /nfs/dbraw/zinc/91/64/25/1068916425.db2.gz KHDQHRVIJZMLAV-AUUYWEPGSA-N 0 0 464.496 0.855 20 10 JCCDRN COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001184359142 1068916086 /nfs/dbraw/zinc/91/60/86/1068916086.db2.gz KHDQHRVIJZMLAV-IFXJQAMLSA-N 0 0 464.496 0.855 20 10 JCCDRN COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001184359143 1068915914 /nfs/dbraw/zinc/91/59/14/1068915914.db2.gz KHDQHRVIJZMLAV-KUHUBIRLSA-N 0 0 464.496 0.855 20 10 JCCDRN COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001184359144 1068916372 /nfs/dbraw/zinc/91/63/72/1068916372.db2.gz KHDQHRVIJZMLAV-LIRRHRJNSA-N 0 0 464.496 0.855 20 10 JCCDRN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)C[N@H+](C)Cc2cc3c(C)cc(=O)oc3cc2[O-])C1 ZINC001184359171 1068916340 /nfs/dbraw/zinc/91/63/40/1068916340.db2.gz KZZYOZZBOQAKPC-GOSISDBHSA-N 0 0 497.552 0.857 20 10 JCCDRN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)C[N@H+](C)Cc2cc3c(C)cc(=O)oc3cc2[O-])C1 ZINC001184359172 1068915971 /nfs/dbraw/zinc/91/59/71/1068915971.db2.gz KZZYOZZBOQAKPC-SFHVURJKSA-N 0 0 497.552 0.857 20 10 JCCDRN Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)N3C[C@H]4CCN(S(=O)(=O)N(C)C)C[C@@H]4C3)cc12 ZINC001184359423 1068916658 /nfs/dbraw/zinc/91/66/58/1068916658.db2.gz OIZPRGSLPNIYOL-AEFFLSMTSA-N 0 0 492.598 0.826 20 10 JCCDRN CC(=O)NCc1nnc2n1CCN(C(=O)C[N@@H+](C)Cc1cc3c(C)cc(=O)oc3cc1[O-])C2 ZINC001184359529 1068917413 /nfs/dbraw/zinc/91/74/13/1068917413.db2.gz PKQVXLAZRLBREN-UHFFFAOYSA-N 0 0 454.487 0.509 20 10 JCCDRN COCCN1CCO[C@H]2CN(C(=O)C[N@H+](C)Cc3cc4c(C)cc(=O)oc4cc3[O-])CC[C@H]2C1=O ZINC001184360131 1068917235 /nfs/dbraw/zinc/91/72/35/1068917235.db2.gz WKBMWRPURVWTHO-GCJKJVERSA-N 0 0 487.553 0.961 20 10 JCCDRN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)N3CCn4c(CN5CCOCC5)nnc4C3)cc12 ZINC001184360154 1068917125 /nfs/dbraw/zinc/91/71/25/1068917125.db2.gz WNGCOWWPROHIBD-UHFFFAOYSA-N 0 0 482.541 0.705 20 10 JCCDRN CC(=O)N1CC2(C1)CN(C(=O)C[N@H+](C)Cc1cc3c(C)cc(=O)oc3cc1[O-])C[C@H]2C(=O)N(C)C ZINC001184360901 1068916994 /nfs/dbraw/zinc/91/69/94/1068916994.db2.gz LGIVNSKPKYFJKD-IBGZPJMESA-N 0 0 484.553 0.634 20 10 JCCDRN CC(=O)N1CC2(C1)CN(C(=O)C[N@H+](C)Cc1cc3c(C)cc(=O)oc3cc1[O-])C[C@@H]2C(=O)N(C)C ZINC001184360909 1068917471 /nfs/dbraw/zinc/91/74/71/1068917471.db2.gz LGIVNSKPKYFJKD-LJQANCHMSA-N 0 0 484.553 0.634 20 10 JCCDRN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)NCCCN3CCS(=O)(=O)CC3)cc12 ZINC001184361629 1068917637 /nfs/dbraw/zinc/91/76/37/1068917637.db2.gz YJARYGUIUUNDGY-UHFFFAOYSA-N 0 0 451.545 0.476 20 10 JCCDRN CCn1c(N)c(NC(=O)C[N@H+](C)Cc2cc3c(C)cc(=O)oc3cc2[O-])c(=O)n(CC)c1=O ZINC001184362284 1068917710 /nfs/dbraw/zinc/91/77/10/1068917710.db2.gz OKIWHXPBNRKGRZ-UHFFFAOYSA-N 0 0 457.487 0.823 20 10 JCCDRN COc1ccc(N2CCN(CCCNS(=O)(=O)C[C@@H]3CCCS(=O)(=O)C3)CC2)cc1 ZINC001184891572 1068947392 /nfs/dbraw/zinc/94/73/92/1068947392.db2.gz AWFTZOHJXKVPKD-GOSISDBHSA-N 0 0 459.634 0.952 20 10 JCCDRN COc1ccc(N2CCN(CCCNS(=O)(=O)C[C@H]3CCCS(=O)(=O)C3)CC2)cc1 ZINC001184891573 1068947352 /nfs/dbraw/zinc/94/73/52/1068947352.db2.gz AWFTZOHJXKVPKD-SFHVURJKSA-N 0 0 459.634 0.952 20 10 JCCDRN Nc1cn(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c([O-])c4c32)ccc1=[NH+]CCN1CCOCC1 ZINC001185540941 1068994892 /nfs/dbraw/zinc/99/48/92/1068994892.db2.gz DUJDHNUQCXDXBA-GFCCVEGCSA-N 0 0 496.476 0.537 20 10 JCCDRN Nc1cn(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c([O-])c4c32)ccc1=[NH+]CCN1CCOCC1 ZINC001185540942 1068994928 /nfs/dbraw/zinc/99/49/28/1068994928.db2.gz DUJDHNUQCXDXBA-LBPRGKRZSA-N 0 0 496.476 0.537 20 10 JCCDRN C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c([O-])c4c32)C1 ZINC001185547280 1068996657 /nfs/dbraw/zinc/99/66/57/1068996657.db2.gz IRDYXFAJEYKHEV-NEPJUHHUSA-N 0 0 468.466 0.997 20 10 JCCDRN C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c([O-])c4c32)C1 ZINC001185547283 1068996389 /nfs/dbraw/zinc/99/63/89/1068996389.db2.gz IRDYXFAJEYKHEV-NWDGAFQWSA-N 0 0 468.466 0.997 20 10 JCCDRN C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c([O-])c4c32)C1 ZINC001185547285 1068996495 /nfs/dbraw/zinc/99/64/95/1068996495.db2.gz IRDYXFAJEYKHEV-RYUDHWBXSA-N 0 0 468.466 0.997 20 10 JCCDRN C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c([O-])c4c32)C1 ZINC001185547287 1068996692 /nfs/dbraw/zinc/99/66/92/1068996692.db2.gz IRDYXFAJEYKHEV-VXGBXAGGSA-N 0 0 468.466 0.997 20 10 JCCDRN C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21 ZINC001185547893 1068997344 /nfs/dbraw/zinc/99/73/44/1068997344.db2.gz NBKKCHAVRSFUQZ-FPMFFAJLSA-N 0 0 457.483 0.817 20 10 JCCDRN C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21 ZINC001185547894 1068997448 /nfs/dbraw/zinc/99/74/48/1068997448.db2.gz NBKKCHAVRSFUQZ-KWCYVHTRSA-N 0 0 457.483 0.817 20 10 JCCDRN COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CC(=O)c4oc(=O)c5cc(O)c(O)c([O-])c5c43)CC[C@@H]2C1 ZINC001185548154 1068986166 /nfs/dbraw/zinc/98/61/66/1068986166.db2.gz OLXLQLQPFJDACO-IIYDPXPESA-N 0 0 488.493 0.776 20 10 JCCDRN COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CC(=O)c4oc(=O)c5cc(O)c(O)c([O-])c5c43)CC[C@@H]2C1 ZINC001185548159 1068987289 /nfs/dbraw/zinc/98/72/89/1068987289.db2.gz OLXLQLQPFJDACO-PBFPGSCMSA-N 0 0 488.493 0.776 20 10 JCCDRN CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c([O-])c4c32)CC1 ZINC001185558871 1068991814 /nfs/dbraw/zinc/99/18/14/1068991814.db2.gz RQXKSVMKGCMDOT-JTQLQIEISA-N 0 0 460.439 0.853 20 10 JCCDRN CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c([O-])c4c32)CC1 ZINC001185558874 1068991690 /nfs/dbraw/zinc/99/16/90/1068991690.db2.gz RQXKSVMKGCMDOT-SNVBAGLBSA-N 0 0 460.439 0.853 20 10 JCCDRN CS(=O)(=O)N1CC[C@H](CS(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC001185711554 1069027831 /nfs/dbraw/zinc/02/78/31/1069027831.db2.gz NWKCXBDKNWTJSS-DLBZAZTESA-N 0 0 458.606 0.089 20 10 JCCDRN CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC001185711561 1069027888 /nfs/dbraw/zinc/02/78/88/1069027888.db2.gz NWKCXBDKNWTJSS-IAGOWNOFSA-N 0 0 458.606 0.089 20 10 JCCDRN CS(=O)(=O)N1CC[C@H](CS(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC001185711563 1069027778 /nfs/dbraw/zinc/02/77/78/1069027778.db2.gz NWKCXBDKNWTJSS-IRXDYDNUSA-N 0 0 458.606 0.089 20 10 JCCDRN CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC001185711565 1069027881 /nfs/dbraw/zinc/02/78/81/1069027881.db2.gz NWKCXBDKNWTJSS-SJORKVTESA-N 0 0 458.606 0.089 20 10 JCCDRN CC(=O)N[C@@H](CO)C(=O)NCC(=O)Nc1ccc(N(C)CCN(C)c2ccc(N)cc2)cc1 ZINC001186605067 1069131168 /nfs/dbraw/zinc/13/11/68/1069131168.db2.gz YYCNENLLAWLLMW-NRFANRHFSA-N 0 0 456.547 0.393 20 10 JCCDRN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001186636786 1069148063 /nfs/dbraw/zinc/14/80/63/1069148063.db2.gz VKUMUVZFZORITA-SRVKXCTJSA-N 0 0 463.922 0.744 20 10 JCCDRN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001186636885 1069148591 /nfs/dbraw/zinc/14/85/91/1069148591.db2.gz VPQFXYXJGJPYRY-AVGNSLFASA-N 0 0 493.520 0.517 20 10 JCCDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001186666999 1069134568 /nfs/dbraw/zinc/13/45/68/1069134568.db2.gz OUAPCJALILIQTH-OALUTQOASA-N 0 0 472.542 0.491 20 10 JCCDRN CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2)CC1 ZINC001189191871 1069309727 /nfs/dbraw/zinc/30/97/27/1069309727.db2.gz HFRHTYUCGSWFQE-UHFFFAOYSA-N 0 0 452.558 0.481 20 10 JCCDRN CC(=O)c1cc(Cl)cc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1O ZINC001192081353 1069439147 /nfs/dbraw/zinc/43/91/47/1069439147.db2.gz WUDXINQSSLHSQA-HNNXBMFYSA-N 0 0 450.966 0.883 20 10 JCCDRN CC(=O)c1cc(Cl)cc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1O ZINC001192081354 1069439034 /nfs/dbraw/zinc/43/90/34/1069439034.db2.gz WUDXINQSSLHSQA-OAHLLOKOSA-N 0 0 450.966 0.883 20 10 JCCDRN COc1ccc(N2CCN(S(=O)(=O)CCNS(=O)(=O)c3cccc(N)c3)CC2)cc1 ZINC001192245687 1069446010 /nfs/dbraw/zinc/44/60/10/1069446010.db2.gz PNHJDKNVCBUPDE-UHFFFAOYSA-N 0 0 454.574 0.708 20 10 JCCDRN COc1ccc(N2CCN(S(=O)(=O)CCNS(=O)(=O)Cc3nocc3C)CC2)cc1 ZINC001192245902 1069446376 /nfs/dbraw/zinc/44/63/76/1069446376.db2.gz RQWBFXSDFHZYEV-UHFFFAOYSA-N 0 0 458.562 0.563 20 10 JCCDRN COc1ccc(N2CCN(S(=O)(=O)CCNS(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 ZINC001192246548 1069446533 /nfs/dbraw/zinc/44/65/33/1069446533.db2.gz YNIYTRYUKHAHCG-UHFFFAOYSA-N 0 0 457.578 0.167 20 10 JCCDRN O=S(=O)(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnn(C2CCOCC2)c1 ZINC001192353650 1069451473 /nfs/dbraw/zinc/45/14/73/1069451473.db2.gz JQASVNIKNZFTLV-UHFFFAOYSA-N 0 0 454.574 0.948 20 10 JCCDRN O=C(C1CCCC1)N1CC(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001192354960 1069451373 /nfs/dbraw/zinc/45/13/73/1069451373.db2.gz VQUOTJBWCICPPU-UHFFFAOYSA-N 0 0 455.602 0.742 20 10 JCCDRN O=C(CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001192426466 1069453184 /nfs/dbraw/zinc/45/31/84/1069453184.db2.gz GJNFCYOUKPLBLL-UHFFFAOYSA-N 0 0 457.506 0.837 20 10 JCCDRN COc1cc(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)cc(O)c1O ZINC001193088842 1069485389 /nfs/dbraw/zinc/48/53/89/1069485389.db2.gz JNKHYFWLNFIZOL-WMLDXEAASA-N 0 0 476.511 0.270 20 10 JCCDRN COc1cc(C(=O)N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)cc(O)c1O ZINC001193095940 1069487033 /nfs/dbraw/zinc/48/70/33/1069487033.db2.gz AZEMQSVAQVEPKD-NRFANRHFSA-N 0 0 467.544 0.453 20 10 JCCDRN COc1cc(C(=O)N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)cc(O)c1O ZINC001193095941 1069487129 /nfs/dbraw/zinc/48/71/29/1069487129.db2.gz AZEMQSVAQVEPKD-OAQYLSRUSA-N 0 0 467.544 0.453 20 10 JCCDRN COc1cc(C(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)cc(O)c1O ZINC001193096478 1069487001 /nfs/dbraw/zinc/48/70/01/1069487001.db2.gz VYKDTRDRHQNCHW-YWMUFLPLSA-N 0 0 461.496 0.699 20 10 JCCDRN COc1cc(C(=O)N2CCN(c3ccc(S(=O)(=O)N(C)C)c4nonc43)CC2)cc(O)c1O ZINC001193098582 1069485416 /nfs/dbraw/zinc/48/54/16/1069485416.db2.gz UUKWCGHRLCDQGO-UHFFFAOYSA-N 0 0 477.499 0.855 20 10 JCCDRN COc1cc(C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)cc(O)c1O ZINC001193104458 1069486089 /nfs/dbraw/zinc/48/60/89/1069486089.db2.gz LLTLEMUPBLKEHG-UHFFFAOYSA-N 0 0 451.866 0.307 20 10 JCCDRN CCOC(=O)[C@H](NC(=O)c1cc(O)c(O)c(OC)c1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001193114143 1069485837 /nfs/dbraw/zinc/48/58/37/1069485837.db2.gz MTBCNKGGVFOSOD-SJORKVTESA-N 0 0 453.469 0.905 20 10 JCCDRN COc1cc(C(=O)NCCS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc(O)c1O ZINC001193114513 1069486432 /nfs/dbraw/zinc/48/64/32/1069486432.db2.gz SZPAPXAZACXCKH-UHFFFAOYSA-N 0 0 459.521 0.719 20 10 JCCDRN CN(C)c1ccc(-c2nc(C(=O)N[C@H]3[C@H](n4ccc(N)nc4=O)O[C@H](CO)[C@H]3O)cs2)cc1 ZINC001193179332 1069492895 /nfs/dbraw/zinc/49/28/95/1069492895.db2.gz OIIHANJTYSKMRT-WVSUBDOOSA-N 0 0 472.527 0.307 20 10 JCCDRN O=C(c1ccc(O)c(O)c1Cl)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001193220197 1069492852 /nfs/dbraw/zinc/49/28/52/1069492852.db2.gz RBEXCQXSFSXLQP-DZGCQCFKSA-N 0 0 480.930 0.914 20 10 JCCDRN O=C(c1ccc(O)c(O)c1Cl)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001193225003 1069494825 /nfs/dbraw/zinc/49/48/25/1069494825.db2.gz FEBNMYFCIYTISY-NJZAAPMLSA-N 0 0 458.920 0.485 20 10 JCCDRN O=C(c1ccc(O)c(O)c1Cl)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001193225004 1069494723 /nfs/dbraw/zinc/49/47/23/1069494723.db2.gz FEBNMYFCIYTISY-UXIGCNINSA-N 0 0 458.920 0.485 20 10 JCCDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(O)c(O)c1Cl)C(=O)NCC(N)=O ZINC001193226024 1069494792 /nfs/dbraw/zinc/49/47/92/1069494792.db2.gz WJFBJIOXQFZQCM-STQMWFEESA-N 0 0 454.911 0.488 20 10 JCCDRN NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2ccc(O)c(O)c2Cl)cc1Cl ZINC001193228922 1069494912 /nfs/dbraw/zinc/49/49/12/1069494912.db2.gz ANTDZVWRTBVOKX-UHFFFAOYSA-N 0 0 456.285 0.952 20 10 JCCDRN O=C(c1cc(O)c([O-])c(Cl)c1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001193604666 1069512438 /nfs/dbraw/zinc/51/24/38/1069512438.db2.gz YKWGRDNRZIAOJP-XJKSGUPXSA-N 0 0 464.931 0.931 20 10 JCCDRN CNS(=O)(=O)NC1CCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001194057782 1069526847 /nfs/dbraw/zinc/52/68/47/1069526847.db2.gz CDTGPFLKECJZHA-UHFFFAOYSA-N 0 0 456.524 0.919 20 10 JCCDRN CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)cc2)cc1 ZINC001194208098 1069531814 /nfs/dbraw/zinc/53/18/14/1069531814.db2.gz HSONPQWSQSUKQH-DRXLUPJOSA-N 0 0 466.516 0.246 20 10 JCCDRN CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)cc2)cc1 ZINC001194208101 1069531650 /nfs/dbraw/zinc/53/16/50/1069531650.db2.gz HSONPQWSQSUKQH-JXAAHKBHSA-N 0 0 466.516 0.246 20 10 JCCDRN CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NCC(=O)NCC(=O)NCC(N)=O)cc2)cc1 ZINC001194216076 1069532235 /nfs/dbraw/zinc/53/22/35/1069532235.db2.gz UODIIXHASWYWJK-OCEACIFDSA-N 0 0 475.531 0.164 20 10 JCCDRN CC(C)NS(=O)(=O)N1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC001194291001 1069536367 /nfs/dbraw/zinc/53/63/67/1069536367.db2.gz JVSPSLMAVBHVIN-UHFFFAOYSA-N 0 0 457.572 0.139 20 10 JCCDRN CNC(=O)NC[C@@H]1CN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCO1 ZINC001196207721 1069628561 /nfs/dbraw/zinc/62/85/61/1069628561.db2.gz HINGIDXTRQWXLZ-JFIYKMOQSA-N 0 0 451.543 0.685 20 10 JCCDRN CNC(=O)NC[C@H]1CN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCO1 ZINC001196207728 1069628663 /nfs/dbraw/zinc/62/86/63/1069628663.db2.gz HINGIDXTRQWXLZ-JZXOWHBKSA-N 0 0 451.543 0.685 20 10 JCCDRN CNC(=O)NC[C@@H]1CN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCO1 ZINC001196207729 1069628889 /nfs/dbraw/zinc/62/88/89/1069628889.db2.gz HINGIDXTRQWXLZ-SOLBZPMBSA-N 0 0 451.543 0.685 20 10 JCCDRN CNC(=O)NC[C@@H]1CN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCO1 ZINC001196207730 1069628872 /nfs/dbraw/zinc/62/88/72/1069628872.db2.gz HINGIDXTRQWXLZ-XYJFISCASA-N 0 0 451.543 0.685 20 10 JCCDRN CN(C)c1ccc(CNC(=O)CN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 ZINC001196429908 1069641415 /nfs/dbraw/zinc/64/14/15/1069641415.db2.gz VBCSIOFASDHMBX-UHFFFAOYSA-N 0 0 459.616 0.965 20 10 JCCDRN O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NS(=O)(=O)c2ccc(N=Nc3ccccc3)cc2)c(=O)[nH]1 ZINC001197188117 1069675520 /nfs/dbraw/zinc/67/55/20/1069675520.db2.gz RSKXOSWGVOHFKH-OZKFBZPXSA-N 0 0 487.494 0.962 20 10 JCCDRN NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197197047 1069676787 /nfs/dbraw/zinc/67/67/87/1069676787.db2.gz SFSZUUNNXOQUJA-RRRUWBTGSA-N 0 0 472.527 0.973 20 10 JCCDRN Nc1ccc(CCN(C(=O)C2=CC=CC2)c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 ZINC001199695319 1069852508 /nfs/dbraw/zinc/85/25/08/1069852508.db2.gz RCLBAQWPTKJUMV-AGFSROSKSA-N 0 0 478.509 0.482 20 10 JCCDRN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Nc3cncnc3OC)CC2)cc1 ZINC001201627832 1069901346 /nfs/dbraw/zinc/90/13/46/1069901346.db2.gz QNQSVHOMMFSLCU-UHFFFAOYSA-N 0 0 450.521 0.767 20 10 JCCDRN CCn1cncc1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001212424142 1069462491 /nfs/dbraw/zinc/46/24/91/1069462491.db2.gz XVTDITMXBHGGDR-UHFFFAOYSA-N 0 0 457.578 0.342 20 10 JCCDRN CCn1cc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC001212424145 1069462625 /nfs/dbraw/zinc/46/26/25/1069462625.db2.gz XWQDVJFNLKMGML-UHFFFAOYSA-N 0 0 457.578 0.342 20 10 JCCDRN Cc1c(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001275224633 1070363727 /nfs/dbraw/zinc/36/37/27/1070363727.db2.gz RJXZNCHNQPLBGH-UHFFFAOYSA-N 0 0 459.453 0.985 20 10 JCCDRN CNC(=O)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)cc1C ZINC001299204756 1070086363 /nfs/dbraw/zinc/08/63/63/1070086363.db2.gz SGGIIVMUMVSBIM-HNNXBMFYSA-N 0 0 451.597 0.883 20 10 JCCDRN CNC(=O)CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)cc1C ZINC001299205032 1070086833 /nfs/dbraw/zinc/08/68/33/1070086833.db2.gz SGGIIVMUMVSBIM-OAHLLOKOSA-N 0 0 451.597 0.883 20 10 JCCDRN CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001299251770 1069249751 /nfs/dbraw/zinc/24/97/51/1069249751.db2.gz NIVHQPTZSMRUKT-HNNXBMFYSA-N 0 0 480.566 0.791 20 10 JCCDRN CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001299251772 1069249761 /nfs/dbraw/zinc/24/97/61/1069249761.db2.gz NIVHQPTZSMRUKT-OAHLLOKOSA-N 0 0 480.566 0.791 20 10 JCCDRN CNC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)c(F)c2)CC1 ZINC001299282351 1069543625 /nfs/dbraw/zinc/54/36/25/1069543625.db2.gz HLPWVOVXTFLPPE-INIZCTEOSA-N 0 0 479.582 0.895 20 10 JCCDRN CNC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)c(F)c2)CC1 ZINC001299282352 1069543506 /nfs/dbraw/zinc/54/35/06/1069543506.db2.gz HLPWVOVXTFLPPE-MRXNPFEDSA-N 0 0 479.582 0.895 20 10 JCCDRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001299297046 1069600562 /nfs/dbraw/zinc/60/05/62/1069600562.db2.gz TWRNYNJMSQPIAS-UHFFFAOYSA-N 0 0 479.607 0.439 20 10 JCCDRN COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)cc2C)C[C@H]1O ZINC001299418019 1070352603 /nfs/dbraw/zinc/35/26/03/1070352603.db2.gz STGJQKAXVONTNP-NLWGTHIKSA-N 0 0 491.614 0.963 20 10 JCCDRN COC(=O)C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)cc2C)C[C@H]1O ZINC001299418020 1070352534 /nfs/dbraw/zinc/35/25/34/1070352534.db2.gz STGJQKAXVONTNP-QWFCFKBJSA-N 0 0 491.614 0.963 20 10 JCCDRN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Nc3cc(=O)n(C)cn3)CC2)cc1 ZINC001625837807 1067699773 /nfs/dbraw/zinc/69/97/73/1067699773.db2.gz FGLUCHSAMVMPCL-UHFFFAOYSA-N 0 0 450.521 0.062 20 10 JCCDRN Cc1noc(C)c1S(=O)(=O)NCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001648910456 1067761127 /nfs/dbraw/zinc/76/11/27/1067761127.db2.gz XPDUCISFYYRKIS-UHFFFAOYSA-N 0 0 456.546 0.121 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H]3CC[C@H](CS(N)(=O)=O)C3)CC2)cc1 ZINC001648927869 1068019751 /nfs/dbraw/zinc/01/97/51/1068019751.db2.gz FFQIJEDPGLVNFL-IBHATUTGSA-N 0 0 450.561 0.473 20 10 JCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H]3CC[C@H](CS(N)(=O)=O)C3)CC2)cc1 ZINC001648927871 1068019853 /nfs/dbraw/zinc/01/98/53/1068019853.db2.gz FFQIJEDPGLVNFL-LZDOZHLXSA-N 0 0 450.561 0.473 20 10 JCCDRN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Nc3ccnnc3OC)CC2)cc1 ZINC001670685207 1067753939 /nfs/dbraw/zinc/75/39/39/1067753939.db2.gz DWWSLWCDGPWRET-UHFFFAOYSA-N 0 0 450.521 0.767 20 10 JCCDRN COc1cc(N2CCN(C(=O)NC[C@]34COC(=O)N3CCOC4)CC2)cc(OC)c1OC ZINC001687372606 1067878057 /nfs/dbraw/zinc/87/80/57/1067878057.db2.gz COBWUIQVNGKBLN-NRFANRHFSA-N 0 0 450.492 0.765 20 10 JCCDRN COc1cc(N2CCN(C(=O)NC[C@@]34COC(=O)N3CCOC4)CC2)cc(OC)c1OC ZINC001687372607 1067878097 /nfs/dbraw/zinc/87/80/97/1067878097.db2.gz COBWUIQVNGKBLN-OAQYLSRUSA-N 0 0 450.492 0.765 20 10 JCCDRN