smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(N)c(C(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)c(=O)n(C)c1=O ZINC000003363151 552372170 /nfs/dbraw/zinc/37/21/70/552372170.db2.gz ZNXWAWVUBZKAIH-UHFFFAOYSA-N 0 1 508.459 0.785 50 0 KCAAMN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000004794134 552485912 /nfs/dbraw/zinc/48/59/12/552485912.db2.gz URNGKEKCNJCQAE-UHFFFAOYSA-N 0 1 553.085 0.754 50 0 KCAAMN C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000006144726 552547323 /nfs/dbraw/zinc/54/73/23/552547323.db2.gz CGWMMXVHBYMINV-ZDUSSCGKSA-N 0 1 544.542 0.666 50 0 KCAAMN C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000006144727 552547310 /nfs/dbraw/zinc/54/73/10/552547310.db2.gz CGWMMXVHBYMINV-CYBMUJFWSA-N 0 1 544.542 0.666 50 0 KCAAMN CN(CC(=O)Nc1ccccc1N1CCN(C)CC1)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000009611649 553289416 /nfs/dbraw/zinc/28/94/16/553289416.db2.gz ZZLJZVBLCSKIPI-UHFFFAOYSA-N 0 1 514.608 0.248 50 0 KCAAMN CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O ZINC000014953454 553522418 /nfs/dbraw/zinc/52/24/18/553522418.db2.gz JAKBYSTWCHUQOK-QORCZRPOSA-N 0 1 535.645 0.799 50 0 in-vitro KCAAMN CCn1cc(C(=O)NCCCN2CCN(C)CC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000020240384 553626412 /nfs/dbraw/zinc/62/64/12/553626412.db2.gz BEBCVYWCKYZFAZ-UHFFFAOYSA-N 0 1 505.641 0.410 50 0 KCAAMN Cn1c2nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n(CC(N)=O)c2c(=O)n(C)c1=O ZINC000020517875 553668751 /nfs/dbraw/zinc/66/87/51/553668751.db2.gz RNVCWFGGIKYWHC-UHFFFAOYSA-N 0 1 501.591 0.826 50 0 KCAAMN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN3CCc4ccccc4C3)C2)CC1 ZINC000020687097 553689361 /nfs/dbraw/zinc/68/93/61/553689361.db2.gz WKNWEDGNTRBLNQ-JOCHJYFZSA-N 0 1 507.657 0.892 50 0 KCAAMN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCCN3CCc4ccccc4C3)C2)CC1 ZINC000020687103 553689251 /nfs/dbraw/zinc/68/92/51/553689251.db2.gz WKNWEDGNTRBLNQ-QFIPXVFZSA-N 0 1 507.657 0.892 50 0 KCAAMN COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)NCCN5CCN(C)CC5)n4n3)CC2)c1 ZINC000020923549 553704441 /nfs/dbraw/zinc/70/44/41/553704441.db2.gz BGFNLUNXRRUCGQ-UHFFFAOYSA-N 0 1 507.643 0.756 50 0 KCAAMN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC000027305952 553825293 /nfs/dbraw/zinc/82/52/93/553825293.db2.gz LSQXZIUREIDSHZ-NEWJYFPISA-N 0 1 521.618 0.457 50 0 in-vivo KCAAMN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN3CCN(Cc4ccccc4)CC3)C2)CC1 ZINC000029749115 553851048 /nfs/dbraw/zinc/85/10/48/553851048.db2.gz RSAVFNIUUUNBOI-XMMPIXPASA-N 0 1 550.726 0.651 50 0 KCAAMN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCCN3CCN(Cc4ccccc4)CC3)C2)CC1 ZINC000029749119 553851059 /nfs/dbraw/zinc/85/10/59/553851059.db2.gz RSAVFNIUUUNBOI-DEOSSOPVSA-N 0 1 550.726 0.651 50 0 KCAAMN COCCNC(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000033032973 553891689 /nfs/dbraw/zinc/89/16/89/553891689.db2.gz CSNRVMYDDUEEAZ-UHFFFAOYSA-N 0 1 507.588 0.871 50 0 KCAAMN CN(CC(=O)N1CCOCC1)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000033033046 553891632 /nfs/dbraw/zinc/89/16/32/553891632.db2.gz DIFCSBHVOCNFKV-UHFFFAOYSA-N 0 1 501.609 0.828 50 0 KCAAMN CN(C)C(=O)CN1CCN(C(=O)c2ccc(N3CC[NH2+]CC3)c([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000033264016 553916964 /nfs/dbraw/zinc/91/69/64/553916964.db2.gz UGHPETWPJIFXIU-UHFFFAOYSA-N 0 1 514.652 0.743 50 0 KCAAMN CC(=O)c1cccc(N[C@H]2[C@H](N)[C@@](NC(=O)N(C)C)([C@H](C)O)[C@@](C)(O)[C@@]2(O)COC(=O)c2c(C)cccc2O)c1 ZINC000044358916 554301813 /nfs/dbraw/zinc/30/18/13/554301813.db2.gz WVIUOSJLUCTGFK-JUJPXXQGSA-N 0 1 558.632 0.755 50 0 in-vitro KCAAMN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC000053057130 554329755 /nfs/dbraw/zinc/32/97/55/554329755.db2.gz LSQXZIUREIDSHZ-ZJZGAYNASA-N 0 1 521.618 0.457 50 0 endogenous,in-man KCAAMN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1 ZINC000053271207 554330579 /nfs/dbraw/zinc/33/05/79/554330579.db2.gz LSQXZIUREIDSHZ-SBFWRKJZSA-N 0 1 521.618 0.457 50 0 in-vivo KCAAMN CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(=O)NCC(=O)OC(C)(C)C ZINC000070665305 553596007 /nfs/dbraw/zinc/59/60/07/553596007.db2.gz RGJSHXRXZBWHJK-YTFSRNRJSA-N 0 1 629.715 0.596 50 0 biogenic KCAAMN CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(=O)NCC(=O)OC(C)(C)C ZINC000070665309 553596040 /nfs/dbraw/zinc/59/60/40/553596040.db2.gz RGJSHXRXZBWHJK-ZRBLBEILSA-N 0 1 629.715 0.596 50 0 biogenic KCAAMN NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CNC(=O)COc1ccc2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000079221515 553671883 /nfs/dbraw/zinc/67/18/83/553671883.db2.gz ANFISYOFZDNDKD-RPWUZVMVSA-N 0 1 644.641 0.653 50 0 biogenic KCAAMN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1 ZINC000087626905 553693494 /nfs/dbraw/zinc/69/34/94/553693494.db2.gz LSQXZIUREIDSHZ-NAVOZUGXSA-N 0 1 521.618 0.457 50 0 in-vivo KCAAMN CN(CC(=O)N1CCN(C)CC1)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000096495049 553754826 /nfs/dbraw/zinc/75/48/26/553754826.db2.gz KROUZSZAOUQAQE-UHFFFAOYSA-N 0 1 514.652 0.743 50 0 KCAAMN COC(=O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)OC)C(=O)CF ZINC000097972735 553967430 /nfs/dbraw/zinc/96/74/30/553967430.db2.gz YXRKBEPGVHOXSV-QORCZRPOSA-N 0 1 690.726 0.803 50 0 KCAAMN COC(=O)[C@H]([NH3+])Cc1ccc(OC(=O)CCC(=O)O[C@@H]2[C@@H]3O[P@@](=O)([O-])OC[C@@H]3O[C@@H]2n2cnc3c2ncnc3N)cc1 ZINC000100685029 554449308 /nfs/dbraw/zinc/44/93/08/554449308.db2.gz VCGXASLRSBTMRC-IVFBXXIMSA-N 0 1 606.485 0.162 50 0 KCAAMN CCCN1CCN(C(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ncccn5)CC4)c3c2=O)CC1 ZINC000101304508 554714377 /nfs/dbraw/zinc/71/43/77/554714377.db2.gz WQXYZMUUOVLHOM-UHFFFAOYSA-N 0 1 560.706 0.622 50 0 KCAAMN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000102051459 554871398 /nfs/dbraw/zinc/87/13/98/554871398.db2.gz CMUTUECQBJOWQT-UHFFFAOYSA-N 0 1 523.369 0.671 50 0 KCAAMN COC(=O)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)OCc1ccccc1)[C@H](C)O ZINC000102058887 554873146 /nfs/dbraw/zinc/87/31/46/554873146.db2.gz KNTSKNRYYBPHED-NGYIFUPDSA-N 0 1 634.712 0.028 50 0 KCAAMN COC(=O)[C@H]([NH3+])Cc1ccc(OC(=O)CCC(=O)O[C@@H]2[C@@H]3O[P@@](=O)([O-])OC[C@H]3O[C@H]2n2cnc3c2ncnc3N)cc1 ZINC000140140123 571455270 /nfs/dbraw/zinc/45/52/70/571455270.db2.gz VCGXASLRSBTMRC-PQIDGVOGSA-N 0 1 606.485 0.162 50 0 KCAAMN C[C@H](NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC000253387745 572282759 /nfs/dbraw/zinc/28/27/59/572282759.db2.gz ICRZPMUCIXEABQ-CGIBELHQSA-N 0 1 742.831 0.984 50 0 KCAAMN C[C@H](NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC000253387746 572282737 /nfs/dbraw/zinc/28/27/37/572282737.db2.gz ICRZPMUCIXEABQ-JTMVAAEOSA-N 0 1 742.831 0.984 50 0 KCAAMN CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(=O)NCC(=O)OC(C)(C)C ZINC000253387804 572282741 /nfs/dbraw/zinc/28/27/41/572282741.db2.gz RGJSHXRXZBWHJK-RJGXRXQPSA-N 0 1 629.715 0.596 50 0 KCAAMN CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(=O)NCC(=O)OC(C)(C)C ZINC000253387805 572282824 /nfs/dbraw/zinc/28/28/24/572282824.db2.gz RGJSHXRXZBWHJK-VABKMULXSA-N 0 1 629.715 0.596 50 0 KCAAMN COC(=O)[C@H]([NH3+])Cc1ccc(OC(=O)CCC(=O)O[C@@H]2[C@@H]3O[P@](=O)([O-])OC[C@H]3O[C@@H]2n2cnc3c2ncnc3N)cc1 ZINC000256006000 572305009 /nfs/dbraw/zinc/30/50/09/572305009.db2.gz VCGXASLRSBTMRC-GBMACWJPSA-N 0 1 606.485 0.162 50 0 KCAAMN COC(=O)[C@H]([NH3+])Cc1ccc(OC(=O)CCC(=O)O[C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H]3CO[P@@](=O)([O-])O[C@@H]23)cc1 ZINC000256006001 572305037 /nfs/dbraw/zinc/30/50/37/572305037.db2.gz VCGXASLRSBTMRC-JEFMMDONSA-N 0 1 606.485 0.162 50 0 KCAAMN COc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C2CCN(C(=O)CCC(=O)N3CCOCC3)CC2)c1 ZINC000257179897 1066238717 /nfs/dbraw/zinc/23/87/17/1066238717.db2.gz DAJNXEZPKGLSBT-GGAORHGYSA-N 0 1 502.612 0.377 50 0 KCAAMN COc1ccc([C@H](CC(=O)NCc2cc(=O)n(C)c(=O)n2C)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263585313 572117616 /nfs/dbraw/zinc/11/76/16/572117616.db2.gz HEWFPOVVMZYZEG-INIZCTEOSA-N 0 1 515.519 0.915 50 0 KCAAMN COc1ccc([C@@H](CC(=O)NCc2cc(=O)n(C)c(=O)n2C)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263585314 572117729 /nfs/dbraw/zinc/11/77/29/572117729.db2.gz HEWFPOVVMZYZEG-MRXNPFEDSA-N 0 1 515.519 0.915 50 0 KCAAMN Cc1ncc(CN2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)[nH]1 ZINC000952855831 1066245578 /nfs/dbraw/zinc/24/55/78/1066245578.db2.gz FYSJEYRTEYIOSY-XZOQPEGZSA-N 0 1 519.610 0.160 50 0 KCAAMN C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCC(N3CCOCC3)CC2)NC1=O ZINC000952855879 1066245481 /nfs/dbraw/zinc/24/54/81/1066245481.db2.gz LAXMAUCKDWVYCF-SPJMRJSYSA-N 0 1 688.826 0.653 50 0 KCAAMN CN1CCNC(=O)C[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O ZINC000952855947 1066246312 /nfs/dbraw/zinc/24/63/12/1066246312.db2.gz VHDKKYUZVMGQGS-GHTZIAJQSA-N 0 1 519.562 0.482 50 0 KCAAMN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(CC(N)=O)CCCNC(=O)CC2 ZINC000952855980 1066246096 /nfs/dbraw/zinc/24/60/96/1066246096.db2.gz YPHUXZFRZYLHFL-SFHVURJKSA-N 0 1 505.616 0.057 50 0 KCAAMN COCCN1CC(=O)N[C@@H](C(=O)N2CCc3nc[nH]c3C2)Cc2ccc(cc2)OCC(=O)N[C@@H](CC(C)C)C1=O ZINC000952856138 1066247702 /nfs/dbraw/zinc/24/77/02/1066247702.db2.gz MUWSWLBSXJNHCD-XZOQPEGZSA-N 0 1 554.648 0.420 50 0 KCAAMN C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCCN(C)CC2)NC1=O ZINC000952856143 1066247516 /nfs/dbraw/zinc/24/75/16/1066247516.db2.gz NKHWEKFACCAELL-JXHHNEAKSA-N 0 1 632.762 0.494 50 0 KCAAMN COCCN1CC(=O)N[C@H](C(=O)NCc2n[nH]c3c2CCC3)Cc2ccc(cc2)OCC(=O)N[C@@H](CC(C)C)C1=O ZINC000952856287 1066248257 /nfs/dbraw/zinc/24/82/57/1066248257.db2.gz WODZTSMRJZYZPT-ZEQRLZLVSA-N 0 1 568.675 0.640 50 0 KCAAMN C[C@@H](O)[C@@H]1NC(=O)c2cc(ccc2O)Oc2ccc(cc2)C[C@@H](C(=O)NCc2n[nH]c3c2CCC3)NC(=O)[C@H](C)NC1=O ZINC000952856312 1066248095 /nfs/dbraw/zinc/24/80/95/1066248095.db2.gz DRTXRSRLULCDFY-VIROWZCLSA-N 0 1 590.637 0.738 50 0 KCAAMN Cc1ccc(-c2cc(C(=O)N3CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](C(C)C)NC(=O)C3)n[nH]2)cc1 ZINC000952856364 1066248286 /nfs/dbraw/zinc/24/82/86/1066248286.db2.gz GKPCTOMJQPKVSY-HSYWLZGASA-N 0 1 631.734 0.691 50 0 KCAAMN COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1ccn[nH]1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952856611 1066249365 /nfs/dbraw/zinc/24/93/65/1066249365.db2.gz CXFOZVSVBFYPTH-QPFIFXANSA-N 0 1 671.796 0.685 50 0 KCAAMN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@H+](CC(=O)[O-])CCCNC(=O)CC2 ZINC000952856632 1066250102 /nfs/dbraw/zinc/25/01/02/1066250102.db2.gz AMRVWPOEOHRKEM-SFHVURJKSA-N 0 1 506.600 0.656 50 0 KCAAMN COc1cc2ccc1OCC(=O)NCCCN(C(=O)CCc1nc(C)n[nH]1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952856655 1066250179 /nfs/dbraw/zinc/25/01/79/1066250179.db2.gz KIJZPLAHDNCLNU-CBBCSGBYSA-N 0 1 714.865 0.707 50 0 KCAAMN COCCc1ncc(CN2CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc3cccc(c3)OCC(=O)NCCC2)cn1 ZINC000952856658 1066250267 /nfs/dbraw/zinc/25/02/67/1066250267.db2.gz KLYFYLKYUXCIFF-NPPOLANGSA-N 0 1 683.851 0.902 50 0 KCAAMN O=C(CCc1n[nH]c2c1CCCC2)N1C[C@@H]2NC(=O)c3ncccc3OCCn3cc(nn3)CO[C@H]2C1 ZINC000952856788 1066250696 /nfs/dbraw/zinc/25/06/96/1066250696.db2.gz MCFBAOOTDXJIQF-UNMCSNQZSA-N 0 1 506.567 0.826 50 0 KCAAMN COCCN1CC(=O)N[C@H](C(=O)N2CCc3nc[nH]c3C2)Cc2ccc(cc2)OCC(=O)N[C@@H](CC(C)C)C1=O ZINC000952856832 1066251290 /nfs/dbraw/zinc/25/12/90/1066251290.db2.gz MUWSWLBSXJNHCD-GOTSBHOMSA-N 0 1 554.648 0.420 50 0 KCAAMN C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCCc2cnc[nH]2)NC1=O ZINC000952857632 1066254970 /nfs/dbraw/zinc/25/49/70/1066254970.db2.gz SRGGKNSDGNQICL-OCDVNBFTSA-N 0 1 643.745 0.802 50 0 KCAAMN CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)COc2cccc(c2)CC2(CNC1=O)CCN(C(=O)c1cnc[nH]1)CC2 ZINC000952857693 1066254945 /nfs/dbraw/zinc/25/49/45/1066254945.db2.gz VPMDGFCZIITKSX-BEYVDOMISA-N 0 1 639.754 0.237 50 0 KCAAMN CC[C@H](C)[C@@H]1NC(=O)CN(C(=O)c2cc(-c3ccccc3)[nH]n2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O ZINC000952857866 1066256224 /nfs/dbraw/zinc/25/62/24/1066256224.db2.gz WNSHOFIHSYRNBP-XTAKORFBSA-N 0 1 643.745 0.869 50 0 KCAAMN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3O)C[C@@H]1NC2=O ZINC000952857900 1066255933 /nfs/dbraw/zinc/25/59/33/1066255933.db2.gz SEIWHZHBHZAYMZ-NVQXNPDNSA-N 0 1 628.664 0.245 50 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CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)c2cnc[nH]2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952864066 1066268695 /nfs/dbraw/zinc/26/86/95/1066268695.db2.gz KWLSTZQLLFARTR-WKJFVQFFSA-N 0 1 627.743 0.286 50 0 KCAAMN COc1ccc(CN2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)cc1F ZINC000952864441 1066270161 /nfs/dbraw/zinc/27/01/61/1066270161.db2.gz WARYWNXNJBKFNR-PGRDOPGGSA-N 0 1 523.569 0.901 50 0 KCAAMN CC(C)C[C@@H]1NC(=O)CN(C(=O)CCN2C[C@@H](C)O[C@@H](C)C2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O ZINC000952864484 1066270115 /nfs/dbraw/zinc/27/01/15/1066270115.db2.gz WPIRBABALQNBJD-YEEPMTPTSA-N 0 1 614.788 0.549 50 0 KCAAMN O=C(COCc1nc2ccc(F)cc2[nH]1)N1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)CCCn3cc(nn3)CNC(=O)[C@H]2C1 ZINC000952864777 1066271083 /nfs/dbraw/zinc/27/10/83/1066271083.db2.gz QIRMHCPBRYKBOI-IZZNHLLZSA-N 0 1 631.669 0.687 50 0 KCAAMN Cc1ncc(C(=O)N2CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(C)c(c3)OCCCn3cc(nn3)CC2)[nH]1 ZINC000952864851 1066271334 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