smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCC3)C2=O)CC1 ZINC000001481334 194125861 /nfs/dbraw/zinc/12/58/61/194125861.db2.gz LDWZSOPBDAFDNC-SDXDJHTJSA-N 0 1 469.636 2.980 50 10 JFCAMN CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 ZINC000022735282 521523082 /nfs/dbraw/zinc/52/30/82/521523082.db2.gz FYYLADUCDXFYLM-DEOSSOPVSA-N 0 1 479.625 2.511 50 10 JFCAMN CCc1nc(SCC(=O)c2cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)n[nH]1 ZINC000014803117 522133490 /nfs/dbraw/zinc/13/34/90/522133490.db2.gz MCYSPQMVHUGZGB-UHFFFAOYSA-N 0 1 489.623 2.771 50 10 JFCAMN CCc1n[nH]c(SCC(=O)c2cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)n1 ZINC000014803117 522133500 /nfs/dbraw/zinc/13/35/00/522133500.db2.gz MCYSPQMVHUGZGB-UHFFFAOYSA-N 0 1 489.623 2.771 50 10 JFCAMN COc1ccc(CC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1OC ZINC000022734842 523902939 /nfs/dbraw/zinc/90/29/39/523902939.db2.gz LBFBAVXHUZYNSZ-XMMPIXPASA-N 0 1 466.626 2.734 50 10 JFCAMN CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735126 523917522 /nfs/dbraw/zinc/91/75/22/523917522.db2.gz KKESZWLMAZDCSA-QHCPKHFHSA-N 0 1 488.007 2.905 50 10 JFCAMN Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 ZINC000022735020 524417680 /nfs/dbraw/zinc/41/76/80/524417680.db2.gz XIENIVUKYFUYNV-RUZDIDTESA-N 0 1 463.626 2.729 50 10 JFCAMN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 ZINC000022734550 524739185 /nfs/dbraw/zinc/73/91/85/524739185.db2.gz HXSRRIBGEGFCQS-QHCPKHFHSA-N 0 1 470.017 2.684 50 10 JFCAMN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 ZINC000022734553 524740636 /nfs/dbraw/zinc/74/06/36/524740636.db2.gz HXSRRIBGEGFCQS-HSZRJFAPSA-N 0 1 470.017 2.684 50 10 JFCAMN COc1ccc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)cc1OC ZINC000000824607 553787510 /nfs/dbraw/zinc/78/75/10/553787510.db2.gz OYCSETSBHCJPRB-NTEUORMPSA-N 0 1 450.232 2.770 50 10 JFCAMN CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 ZINC000008858074 554754836 /nfs/dbraw/zinc/75/48/36/554754836.db2.gz TWUPHIYZQBUJMK-MCRQTXEHSA-N 0 1 499.662 2.525 50 10 JFCAMN COc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCC1 ZINC000009135675 554932425 /nfs/dbraw/zinc/93/24/25/554932425.db2.gz PESNWDADXPHFEI-HSZRJFAPSA-N 0 1 450.583 2.647 50 10 JFCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N3CCCC3)ccc21 ZINC000009135553 554932472 /nfs/dbraw/zinc/93/24/72/554932472.db2.gz BRHKGHJRNLCKPN-QFIPXVFZSA-N 0 1 464.566 2.732 50 10 JFCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)c(N2CCOCC2)o1 ZINC000009309946 555085572 /nfs/dbraw/zinc/08/55/72/555085572.db2.gz SCECIFLCBXEPIW-XFXZXTDPSA-N 0 1 480.315 2.849 50 10 JFCAMN CCOc1ccc(N2C[C@@H](NC(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1 ZINC000009519971 555318652 /nfs/dbraw/zinc/31/86/52/555318652.db2.gz XEWCVQBZXPBGFO-NRFANRHFSA-N 0 1 495.624 2.711 50 10 JFCAMN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=CNCCCN2CCOCC2)cc1 ZINC000013165847 555368812 /nfs/dbraw/zinc/36/88/12/555368812.db2.gz CCHBVEHYBWQHJJ-XLNRJJMWSA-N 0 1 465.510 2.550 50 10 JFCAMN COc1ccccc1N1C(=O)/C(=C/c2ccc(I)o2)C(=O)NC1=S ZINC000009763377 555488865 /nfs/dbraw/zinc/48/88/65/555488865.db2.gz FXHHXKNOPNUZPN-CSKARUKUSA-N 0 1 454.245 2.724 50 10 JFCAMN CCc1ccc2c(c1)[C@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015967813 556094082 /nfs/dbraw/zinc/09/40/82/556094082.db2.gz ONEXPVCGLIADDB-XOSJJEKJSA-N 0 1 497.551 2.824 50 10 biogenic JFCAMN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H](Cc2ccc(O)c(O)c2)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000016024533 556115001 /nfs/dbraw/zinc/11/50/01/556115001.db2.gz TXDFHSXTKSUUGO-RISAILHGSA-N 0 1 475.545 2.620 50 10 JFCAMN CCc1ccc2c(c1)[C@@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016033906 556118019 /nfs/dbraw/zinc/11/80/19/556118019.db2.gz RLUGXWLFCZJFNM-PKVHRPSESA-N 0 1 489.572 2.956 50 10 JFCAMN COc1ccc(N2CCN(CCCNC(=O)c3cccc(-n4nnc5cccnc54)c3)CC2)cc1 ZINC000064925415 569646549 /nfs/dbraw/zinc/64/65/49/569646549.db2.gz SZVRNWIJZFAQHX-UHFFFAOYSA-N 0 1 471.565 2.766 50 10 JFCAMN Cc1cccc(-n2c(O)c(C=NC3=C4C(=O)c5ccccc5C(=O)[C@@H]4CC=C3)c(=O)[nH]c2=O)c1 ZINC000101112395 569783189 /nfs/dbraw/zinc/78/31/89/569783189.db2.gz DCXLJAINQRQEKK-XEXUKXSGSA-N 0 1 453.454 2.817 50 10 JFCAMN COc1ccc(CCN2C(=O)NC(=O)C(=CNCc3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000102554299 569814239 /nfs/dbraw/zinc/81/42/39/569814239.db2.gz BQXYVAPKHRICFU-VBKFSLOCSA-N 0 1 453.451 2.567 50 10 JFCAMN O=C(C[C@@H](c1ccsc1)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000218325844 569883193 /nfs/dbraw/zinc/88/31/93/569883193.db2.gz CROCKSWSSGZSOW-INIZCTEOSA-N 0 1 451.504 2.754 50 10 JFCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)ccc1O ZINC000000730681 193908353 /nfs/dbraw/zinc/90/83/53/193908353.db2.gz PVPZWSGTGXZZCR-NTEUORMPSA-N 0 1 450.232 2.857 50 10 JFCAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000001112079 194028013 /nfs/dbraw/zinc/02/80/13/194028013.db2.gz ULPOZSVRKMNEKA-UHFFFAOYSA-N 0 1 488.294 2.615 50 10 JFCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1O ZINC000016667843 520621933 /nfs/dbraw/zinc/62/19/33/520621933.db2.gz GLUFOPBPKNOPQE-JYRVWZFOSA-N 0 1 450.232 2.857 50 10 JFCAMN COC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000001202222 523221174 /nfs/dbraw/zinc/22/11/74/523221174.db2.gz VFSCCWMHTNHJLR-MHWRWJLKSA-N 0 1 456.476 2.927 50 10 JFCAMN CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735129 523919779 /nfs/dbraw/zinc/91/97/79/523919779.db2.gz KKESZWLMAZDCSA-HSZRJFAPSA-N 0 1 488.007 2.905 50 10 JFCAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)N3CCN(C)CC3)ccc21 ZINC000022734396 523998313 /nfs/dbraw/zinc/99/83/13/523998313.db2.gz NSCMFQMJXMXHET-JOCHJYFZSA-N 0 1 489.542 2.741 50 10 JFCAMN CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3cccc(I)c3)C2=O)cc1 ZINC000006492071 554546351 /nfs/dbraw/zinc/54/63/51/554546351.db2.gz DWJFQPXWSJSDHV-WJDWOHSUSA-N 0 1 462.243 2.929 50 10 JFCAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1ccccc1F ZINC000008417802 554579149 /nfs/dbraw/zinc/57/91/49/554579149.db2.gz DUHZOBQPVSRPNO-UHFFFAOYSA-N 0 1 496.232 2.767 50 10 JFCAMN COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1C=C1C(=O)NC(=O)N(C)C1=O)OCO2 ZINC000009058641 554877370 /nfs/dbraw/zinc/87/73/70/554877370.db2.gz FVTFBLAMRNBDGF-ATVHPVEESA-N 0 1 465.462 2.671 50 10 biogenic JFCAMN COc1ccc(N2CCN(C(=O)CSc3nc4[nH]ncc4c(=O)n3-c3ccccc3)CC2)cc1 ZINC000009490134 555265158 /nfs/dbraw/zinc/26/51/58/555265158.db2.gz WHWRKZNAFXVKQD-UHFFFAOYSA-N 0 1 476.562 2.558 50 10 JFCAMN COc1ccc(N2CCN(C[C@H](O)COc3ccc4c5c(c(=O)oc4c3)CCC5)CC2)cc1 ZINC000019909151 555537085 /nfs/dbraw/zinc/53/70/85/555537085.db2.gz YVVKGFCSLWXBTM-IBGZPJMESA-N 0 1 450.535 2.852 50 10 JFCAMN CCc1nn2c(nc(COc3ccc(/C=C4\C(=O)NN(c5ccccc5)C4=O)cc3)cc2=O)s1 ZINC000020331834 555776886 /nfs/dbraw/zinc/77/68/86/555776886.db2.gz HKFGQJJRLASSNT-XDHOZWIPSA-N 0 1 473.514 2.754 50 10 JFCAMN CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560294 555810971 /nfs/dbraw/zinc/81/09/71/555810971.db2.gz FPTBXPLERBWZLX-DEOSSOPVSA-N 0 1 464.566 2.997 50 10 JFCAMN COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3COc4ccc(OC)cc4C3)CC2)cc1 ZINC000015820902 556009639 /nfs/dbraw/zinc/00/96/39/556009639.db2.gz AEYODDROIODGSB-FQEVSTJZSA-N 0 1 454.571 2.519 50 10 JFCAMN CCOC(=O)C1C(CN2CCN(c3ccc(OC)cc3)CC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414770 569600119 /nfs/dbraw/zinc/60/01/19/569600119.db2.gz BOVSBKIGAQVLLI-XMMPIXPASA-N 0 1 480.565 2.697 50 10 JFCAMN COc1ccc(N2CCN(CCCNC(=O)Cn3c4cc(C)c(C)cc4nc(C)c3=O)CC2)cc1 ZINC000032974669 569605619 /nfs/dbraw/zinc/60/56/19/569605619.db2.gz QPUOEQNKKOBRJP-UHFFFAOYSA-N 0 1 477.609 2.659 50 10 JFCAMN O=C(c1ccco1)N1CCN(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000103682003 569836991 /nfs/dbraw/zinc/83/69/91/569836991.db2.gz FLQNQVYNAWICNW-ACCUITESSA-N 0 1 479.345 2.676 50 10 JFCAMN O=C(C[C@@H](c1ccc2nccnc2c1)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000218142781 569882949 /nfs/dbraw/zinc/88/29/49/569882949.db2.gz OTTDJKIVHNSACF-SFHVURJKSA-N 0 1 497.511 2.635 50 10 JFCAMN O=C(c1ccco1)N1CCN(/C=C2\C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000096234374 130001351 /nfs/dbraw/zinc/00/13/51/130001351.db2.gz IEGKNCOQSQPUDA-RVDMUPIBSA-N 0 1 479.345 2.676 50 10 JFCAMN COc1ccc(CC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1OC ZINC000022734845 523901149 /nfs/dbraw/zinc/90/11/49/523901149.db2.gz LBFBAVXHUZYNSZ-DEOSSOPVSA-N 0 1 466.626 2.734 50 10 JFCAMN CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000008812217 554693605 /nfs/dbraw/zinc/69/36/05/554693605.db2.gz LOCRJKJTZSHPHG-XMMPIXPASA-N 0 1 480.609 2.836 50 10 JFCAMN CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 ZINC000009135803 554932504 /nfs/dbraw/zinc/93/25/04/554932504.db2.gz NHXIQFQKDFWZRY-DEOSSOPVSA-N 0 1 463.582 2.919 50 10 JFCAMN COc1ccc(N2CCN(CCCNC(=O)CCC(=O)N3CCOc4ccc(C)cc43)CC2)cc1 ZINC000009251936 555026327 /nfs/dbraw/zinc/02/63/27/555026327.db2.gz BBLMDBIDHTYQEC-UHFFFAOYSA-N 0 1 480.609 2.838 50 10 JFCAMN COC(CN(C)c1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NC(=O)N(CCCC(C)C)C1=O)OC ZINC000013591482 555525840 /nfs/dbraw/zinc/52/58/40/555525840.db2.gz ZSGXUPLRFBNJPR-ATVHPVEESA-N 0 1 462.503 2.548 50 10 JFCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1 ZINC000020331841 555776985 /nfs/dbraw/zinc/77/69/85/555776985.db2.gz XRNGZHAKJNEEKR-VCHYOVAHSA-N 0 1 489.513 2.508 50 10 JFCAMN CCOC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc1OC ZINC000015658741 555922502 /nfs/dbraw/zinc/92/25/02/555922502.db2.gz LFXJVZPBOLIAEI-YBEGLDIGSA-N 0 1 475.295 2.861 50 10 JFCAMN CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CCN(C)CC3)ccc21 ZINC000023857704 556093260 /nfs/dbraw/zinc/09/32/60/556093260.db2.gz XZZUQWCZSUNDFI-QFIPXVFZSA-N 0 1 473.980 2.515 50 10 JFCAMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000016025181 556116121 /nfs/dbraw/zinc/11/61/21/556116121.db2.gz JDFJRVPFATXMEC-ZPIFVSINSA-N 0 1 481.936 2.657 50 10 JFCAMN COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 ZINC000013007951 556199375 /nfs/dbraw/zinc/19/93/75/556199375.db2.gz LPHOPWQHTAKXSY-DEOSSOPVSA-N 0 1 450.583 2.647 50 10 JFCAMN CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3cccc(Cl)c3)c2O)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000101764344 569803965 /nfs/dbraw/zinc/80/39/65/569803965.db2.gz WRSBAIIGKMLITD-LJQANCHMSA-N 0 1 467.913 2.648 50 10 JFCAMN CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2O)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000101764299 569804004 /nfs/dbraw/zinc/80/40/04/569804004.db2.gz WNAIKGMXWMHYSL-OAQYLSRUSA-N 0 1 461.522 2.612 50 10 JFCAMN CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3ccc(Cl)cc3)c2O)C[C@H]1c1ccc(N(C)C)cc1 ZINC000101764169 569804016 /nfs/dbraw/zinc/80/40/16/569804016.db2.gz ZUASPFHBRIJJDR-IBGZPJMESA-N 0 1 467.913 2.648 50 10 JFCAMN CCCN1C(=O)/C(=C\c2c(=O)n3cc(C)ccc3nc2N2CCN(CC)CC2)SC1=S ZINC000102824611 569824224 /nfs/dbraw/zinc/82/42/24/569824224.db2.gz XYMSIQCONOLXDP-GHRIWEEISA-N 0 1 457.625 2.756 50 10 JFCAMN CC(C)(C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000248249771 570076748 /nfs/dbraw/zinc/07/67/48/570076748.db2.gz RWDICRJTVGAJFP-UDQIJZATSA-N 0 1 469.925 2.513 50 10 JFCAMN COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263586470 570171694 /nfs/dbraw/zinc/17/16/94/570171694.db2.gz UTLKJKTZUICBMS-QGZVFWFLSA-N 0 1 499.516 2.972 50 10 biogenic JFCAMN Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)cc1 ZINC000002977396 194191497 /nfs/dbraw/zinc/19/14/97/194191497.db2.gz IKDSSLINEUTBGG-UHFFFAOYSA-N 0 1 455.275 2.819 50 10 JFCAMN COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(N4CCOCC4)o3)C(=O)NC2=S)cc1 ZINC000002979316 194192635 /nfs/dbraw/zinc/19/26/35/194192635.db2.gz BQPVUZGGZSKKTM-XNTDXEJSSA-N 0 1 492.351 2.719 50 10 JFCAMN CCn1c2ccccc2nc(SCC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1=O ZINC000033259820 523284847 /nfs/dbraw/zinc/28/48/47/523284847.db2.gz POVDDEWHHUXKMX-UHFFFAOYSA-N 0 1 495.649 2.846 50 10 JFCAMN CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 ZINC000022735208 523968560 /nfs/dbraw/zinc/96/85/60/523968560.db2.gz WBDOYXMGZHEBKF-RUZDIDTESA-N 0 1 463.626 2.675 50 10 JFCAMN Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 ZINC000022735256 524268665 /nfs/dbraw/zinc/26/86/65/524268665.db2.gz HEZRUWWHKDSJQK-XMMPIXPASA-N 0 1 463.626 2.729 50 10 JFCAMN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c(C)c1 ZINC000022734495 524279425 /nfs/dbraw/zinc/27/94/25/524279425.db2.gz LMFFXDNZEOQQTB-DEOSSOPVSA-N 0 1 463.626 2.648 50 10 JFCAMN COc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 ZINC000022734890 524932407 /nfs/dbraw/zinc/93/24/07/524932407.db2.gz ZGZMAMBIRYHHRP-RUZDIDTESA-N 0 1 452.599 2.561 50 10 JFCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1Cl ZINC000022734538 525004369 /nfs/dbraw/zinc/00/43/69/525004369.db2.gz BOWRJCKOBOBFAG-QHCPKHFHSA-N 0 1 470.017 2.684 50 10 JFCAMN Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c2ccccc2n1 ZINC000022734447 525109573 /nfs/dbraw/zinc/10/95/73/525109573.db2.gz FHHUVYSTAPXDLT-SANMLTNESA-N 0 1 486.620 2.579 50 10 JFCAMN Cc1c(NC=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000013810247 525822288 /nfs/dbraw/zinc/82/22/88/525822288.db2.gz UFZBZMALRDCMAT-SFQUDFHCSA-N 0 1 467.938 2.882 50 10 JFCAMN CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 ZINC000022735108 526164597 /nfs/dbraw/zinc/16/45/97/526164597.db2.gz ZEMVGJWJEFWIGB-HSZRJFAPSA-N 0 1 481.666 2.834 50 10 JFCAMN CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 ZINC000022735111 526166090 /nfs/dbraw/zinc/16/60/90/526166090.db2.gz ZEMVGJWJEFWIGB-QHCPKHFHSA-N 0 1 481.666 2.834 50 10 JFCAMN CCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(CC)CC2)SC1=S ZINC000002712505 554297662 /nfs/dbraw/zinc/29/76/62/554297662.db2.gz XYMSIQCONOLXDP-LGMDPLHJSA-N 0 1 457.625 2.756 50 10 JFCAMN CC[C@H]1Oc2ccccc2N(CC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000008813956 554696319 /nfs/dbraw/zinc/69/63/19/554696319.db2.gz OGFCHRKLPOJZSA-HSZRJFAPSA-N 0 1 466.582 2.528 50 10 JFCAMN CCOc1cc2[nH]c(=O)n(CCCN3CCN(c4ccc(OC)cc4)CC3)c(=O)c2cc1OCC ZINC000013497229 555412880 /nfs/dbraw/zinc/41/28/80/555412880.db2.gz JEODYJIPKMXGNW-UHFFFAOYSA-N 0 1 482.581 2.708 50 10 JFCAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2c1cccc2Cl ZINC000013572444 555510950 /nfs/dbraw/zinc/51/09/50/555510950.db2.gz GYANDCQRFGDFAY-QBTOODAHSA-N 0 1 469.925 2.513 50 10 JFCAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2c1cccc2Cl ZINC000013576294 555515252 /nfs/dbraw/zinc/51/52/52/555515252.db2.gz BYMISFGRUKMVOU-UNKHORCTSA-N 0 1 469.925 2.514 50 10 JFCAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2c1cccc2Cl ZINC000013576292 555515295 /nfs/dbraw/zinc/51/52/95/555515295.db2.gz BYMISFGRUKMVOU-PAXILDSZSA-N 0 1 469.925 2.514 50 10 JFCAMN CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020283464 555752906 /nfs/dbraw/zinc/75/29/06/555752906.db2.gz BHAHFZGQOUAVSD-HSZRJFAPSA-N 0 1 450.539 2.689 50 10 JFCAMN CCOC(=O)C1C(CN2CCN(c3ccc(OC)cc3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530935 555798512 /nfs/dbraw/zinc/79/85/12/555798512.db2.gz KCRAIXDLIBRQTI-XMMPIXPASA-N 0 1 480.565 2.697 50 10 JFCAMN CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)N2CCN(C)CC2)cc1 ZINC000023080618 556007088 /nfs/dbraw/zinc/00/70/88/556007088.db2.gz FTRHHXCGKIRJSQ-VWLOTQADSA-N 0 1 456.656 2.898 50 10 JFCAMN O=C1Nc2ccccc2[C@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000015959780 556091763 /nfs/dbraw/zinc/09/17/63/556091763.db2.gz FMAVTFWVWWXAQY-KKBCGBJISA-N 0 1 475.545 2.784 50 10 biogenic JFCAMN O=C1Nc2ccc(F)cc2[C@@]12N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016021253 556113727 /nfs/dbraw/zinc/11/37/27/556113727.db2.gz QYXPJYWPGHOFPM-AHQSTGFLSA-N 0 1 479.508 2.533 50 10 JFCAMN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](Cc2ccc(O)c(O)c2)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000016024529 556115060 /nfs/dbraw/zinc/11/50/60/556115060.db2.gz TXDFHSXTKSUUGO-LIXUUISPSA-N 0 1 475.545 2.620 50 10 JFCAMN O=C1Nc2ccc(Cl)cc2[C@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000016025185 556116098 /nfs/dbraw/zinc/11/60/98/556116098.db2.gz JDFJRVPFATXMEC-DNBVQBCISA-N 0 1 481.936 2.657 50 10 JFCAMN COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c(OC)c1 ZINC000013007964 556199512 /nfs/dbraw/zinc/19/95/12/556199512.db2.gz FJSMHLVMNSURRM-QHCPKHFHSA-N 0 1 466.582 2.978 50 10 JFCAMN CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)CC1 ZINC000025757031 556232223 /nfs/dbraw/zinc/23/22/23/556232223.db2.gz OQJNOIUWPGXJCQ-GHRIWEEISA-N 0 1 457.625 2.694 50 10 JFCAMN CCc1ccc([C@@H]2NC(=O)NC(CN3CCN(c4ccc(OC)cc4)CC3)=C2C(=O)OC)cc1 ZINC000057415238 569600525 /nfs/dbraw/zinc/60/05/25/569600525.db2.gz VFLQOECKHKEWDW-DEOSSOPVSA-N 0 1 464.566 2.861 50 10 JFCAMN CN(C)c1ccc(CNC(=O)c2cnn3c2n(C)c2c(c3=O)CN(Cc3ccccc3)CC2)cc1 ZINC000064836170 569636725 /nfs/dbraw/zinc/63/67/25/569636725.db2.gz RKAGZDPHCNOLBE-UHFFFAOYSA-N 0 1 470.577 2.587 50 10 JFCAMN CCCCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCN(CC)CC2)SC1=S ZINC000033918872 569637608 /nfs/dbraw/zinc/63/76/08/569637608.db2.gz NXXTXAOQTUQKLA-BMRADRMJSA-N 0 1 457.625 2.838 50 10 JFCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(-n4nnc5cccnc54)cc3)CC2)cc1 ZINC000064896412 569644953 /nfs/dbraw/zinc/64/49/53/569644953.db2.gz CTKHTYXESGCMHE-UHFFFAOYSA-N 0 1 471.565 2.766 50 10 JFCAMN CN1CCN(c2ccc(CNC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000065365815 569675450 /nfs/dbraw/zinc/67/54/50/569675450.db2.gz BBKZKDFRIPHFJZ-JOCHJYFZSA-N 0 1 477.030 2.561 50 10 JFCAMN COc1ccc(N2CCN(C(=O)Cn3c(=O)c4[nH]c5ccc(OC)cc5c4[nH]c3=S)CC2)cc1 ZINC000101497675 569800897 /nfs/dbraw/zinc/80/08/97/569800897.db2.gz XMZGZXDFOBNIGI-UHFFFAOYSA-N 0 1 479.562 2.906 50 10 JFCAMN CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3ccc(Cl)cc3)c2O)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000101764175 569803927 /nfs/dbraw/zinc/80/39/27/569803927.db2.gz ZUASPFHBRIJJDR-LJQANCHMSA-N 0 1 467.913 2.648 50 10 JFCAMN C[N@H+]1CCCN(Cc2cc(I)cc(I)c2[O-])CC1 ZINC000048326356 569845882 /nfs/dbraw/zinc/84/58/82/569845882.db2.gz BJGUBHSHEBPPRL-UHFFFAOYSA-N 0 1 472.108 2.739 50 10 JFCAMN COc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c(OC)c3)C2=O)cc1 ZINC000001197271 194067798 /nfs/dbraw/zinc/06/77/98/194067798.db2.gz DLIMWSPINQRMAS-VGOFMYFVSA-N 0 1 461.268 2.834 50 10 JFCAMN COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCC1 ZINC000009135678 194562736 /nfs/dbraw/zinc/56/27/36/194562736.db2.gz PESNWDADXPHFEI-QHCPKHFHSA-N 0 1 450.583 2.647 50 10 JFCAMN COc1ccc(N2CCN(CCCNC(=O)/C=C3\Sc4ccccc4NC3=O)CC2)cc1 ZINC000020727214 195208140 /nfs/dbraw/zinc/20/81/40/195208140.db2.gz RPYNNQKYBPRSSC-XLNRJJMWSA-N 0 1 452.580 2.952 50 10 JFCAMN CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000008607641 521167046 /nfs/dbraw/zinc/16/70/46/521167046.db2.gz XKLRNUCTHIMJSH-XMMPIXPASA-N 0 1 450.583 2.691 50 10 JFCAMN CN1CCN([C@@H](CNS(=O)(=O)c2ccc(F)cc2F)c2ccc3c(c2)CCCN3C)CC1 ZINC000022735592 523918697 /nfs/dbraw/zinc/91/86/97/523918697.db2.gz CNUDWTIACFQAPD-QFIPXVFZSA-N 0 1 464.582 2.614 50 10 JFCAMN CC[C@H](C)N1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCN(CC)CC2)SC1=S ZINC000034367094 523945984 /nfs/dbraw/zinc/94/59/84/523945984.db2.gz QBUYASLXEHBUHY-JEFCNZTNSA-N 0 1 457.625 2.836 50 10 JFCAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1C ZINC000022735571 525061202 /nfs/dbraw/zinc/06/12/02/525061202.db2.gz PMPMFVQKWSZAMD-DEOSSOPVSA-N 0 1 472.655 2.653 50 10 JFCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1 ZINC000002268501 554125895 /nfs/dbraw/zinc/12/58/95/554125895.db2.gz DNZDKMDEVPIXMB-RVDMUPIBSA-N 0 1 462.325 2.710 50 10 JFCAMN COCCNC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21 ZINC000006193967 554518036 /nfs/dbraw/zinc/51/80/36/554518036.db2.gz LZCONOWOGKYWNM-FYJGNVAPSA-N 0 1 490.585 2.852 50 10 JFCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(c3)N(C)C(=O)[C@H]3CCCCN43)CC2)cc1 ZINC000009528823 555322674 /nfs/dbraw/zinc/32/26/74/555322674.db2.gz VIWMWLISFHPXSI-RUZDIDTESA-N 0 1 491.636 2.973 50 10 JFCAMN O=C1Nc2ccccc2[C@@]12N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000015959779 556091706 /nfs/dbraw/zinc/09/17/06/556091706.db2.gz FMAVTFWVWWXAQY-JYYLQKJRSA-N 0 1 475.545 2.784 50 10 biogenic JFCAMN O=C1Nc2ccccc2[C@]12N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000015959781 556091738 /nfs/dbraw/zinc/09/17/38/556091738.db2.gz FMAVTFWVWWXAQY-YRCDICCDSA-N 0 1 475.545 2.784 50 10 biogenic JFCAMN CCOC(=O)C1C(CN2CCN(c3ccc(OC)cc3)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414773 569600142 /nfs/dbraw/zinc/60/01/42/569600142.db2.gz BOVSBKIGAQVLLI-DEOSSOPVSA-N 0 1 480.565 2.697 50 10 JFCAMN O=C(c1coc(CN2CCN(Cc3ccccc3O)CC2)n1)N1CCN(c2ccccc2)CC1 ZINC000034678399 569642306 /nfs/dbraw/zinc/64/23/06/569642306.db2.gz PDZIPGWGBUHRSO-UHFFFAOYSA-N 0 1 461.566 2.660 50 10 JFCAMN Cc1cccc(-n2c(O)c(C=NC3=C4C(=O)c5ccccc5C(=O)[C@@H]4CC=C3)c(=O)[nH]c2=O)c1 ZINC000101112391 569783229 /nfs/dbraw/zinc/78/32/29/569783229.db2.gz DCXLJAINQRQEKK-QCFZEVRASA-N 0 1 453.454 2.817 50 10 JFCAMN CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3cccc(Cl)c3)c2O)C[C@H]1c1ccc(N(C)C)cc1 ZINC000101764339 569803784 /nfs/dbraw/zinc/80/37/84/569803784.db2.gz WRSBAIIGKMLITD-IBGZPJMESA-N 0 1 467.913 2.648 50 10 JFCAMN CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2O)C[C@H]1c1ccc(N(C)C)cc1 ZINC000101764294 569804018 /nfs/dbraw/zinc/80/40/18/569804018.db2.gz WNAIKGMXWMHYSL-NRFANRHFSA-N 0 1 461.522 2.612 50 10 JFCAMN CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)CC1 ZINC000102824482 569824175 /nfs/dbraw/zinc/82/41/75/569824175.db2.gz GRBAHWNOQNNYMJ-NBVRZTHBSA-N 0 1 481.603 2.831 50 10 JFCAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000104878950 569846674 /nfs/dbraw/zinc/84/66/74/569846674.db2.gz RGGHTDNUGBUOLN-UHCBLFSXSA-N 0 1 469.925 2.513 50 10 JFCAMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=CNc1ccc(N2CCOCC2)c(Br)c1 ZINC000003005030 194200379 /nfs/dbraw/zinc/20/03/79/194200379.db2.gz LGMOVBWDJHLCGD-DTQAZKPQSA-N 0 1 477.359 2.993 50 10 JFCAMN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4cc(-c5ccncc5)[nH]n4)C3)CC2)cc1 ZINC000035508080 524416439 /nfs/dbraw/zinc/41/64/39/524416439.db2.gz DMKBQELXUDFRAP-HXUWFJFHSA-N 0 1 474.565 2.681 50 10 JFCAMN COc1ccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)c4cc(-c5ccncc5)[nH]n4)C3)CC2)cc1 ZINC000035508084 524416605 /nfs/dbraw/zinc/41/66/05/524416605.db2.gz DMKBQELXUDFRAP-FQEVSTJZSA-N 0 1 474.565 2.681 50 10 JFCAMN COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4cc(-c5cccnc5)[nH]n4)CC3)CC2)cc1 ZINC000096324704 536677309 /nfs/dbraw/zinc/67/73/09/536677309.db2.gz QTCSPZDOKIMFRA-UHFFFAOYSA-N 0 1 474.565 2.681 50 10 JFCAMN Cc1ccc(N2NC(=O)/C(=C/c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1Cl ZINC000008443101 554592678 /nfs/dbraw/zinc/59/26/78/554592678.db2.gz LVFBSIKHMCTEMZ-WQRHYEAKSA-N 0 1 456.911 2.548 50 10 JFCAMN CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 ZINC000008834791 554732894 /nfs/dbraw/zinc/73/28/94/554732894.db2.gz DZYBFINTRWFMIL-SQFNAUOLSA-N 0 1 499.662 2.525 50 10 JFCAMN COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1OC ZINC000008964141 554838273 /nfs/dbraw/zinc/83/82/73/554838273.db2.gz PMSOQCHXLBJUMC-OAQYLSRUSA-N 0 1 452.555 2.588 50 10 JFCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)N3CCCC3)ccc21 ZINC000009135530 554932181 /nfs/dbraw/zinc/93/21/81/554932181.db2.gz LFEMUZVGVRJAFU-NRFANRHFSA-N 0 1 450.539 2.690 50 10 JFCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N3CCCCC3)ccc21 ZINC000009138234 554933443 /nfs/dbraw/zinc/93/34/43/554933443.db2.gz GRICWYRWHGUHGV-QHCPKHFHSA-N 0 1 478.593 2.757 50 10 JFCAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@]21C(=O)Nc2c1cccc2Cl ZINC000009252664 555027612 /nfs/dbraw/zinc/02/76/12/555027612.db2.gz GYANDCQRFGDFAY-UCDMSLSYSA-N 0 1 469.925 2.513 50 10 JFCAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(N2CCOCC2)o1 ZINC000009311428 555087742 /nfs/dbraw/zinc/08/77/42/555087742.db2.gz RZRITOFOVQURNA-UVTDQMKNSA-N 0 1 462.325 2.710 50 10 JFCAMN COc1ccc(N2CCN(CCCNC(=O)c3nnc(Cc4ccc(OC)c(OC)c4)o3)CC2)cc1 ZINC000009406983 555168076 /nfs/dbraw/zinc/16/80/76/555168076.db2.gz LDSGTXXWEYHODV-UHFFFAOYSA-N 0 1 495.580 2.628 50 10 JFCAMN CCOc1cccc(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])C(=O)NC2=S)c1 ZINC000009462137 555230816 /nfs/dbraw/zinc/23/08/16/555230816.db2.gz LODUDLILDXDUND-NVNXTCNLSA-N 0 1 457.464 2.842 50 10 JFCAMN O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3cccs3)C2=O)c2ccccc21)NC[C@H]1CCCO1 ZINC000009463616 555234071 /nfs/dbraw/zinc/23/40/71/555234071.db2.gz UWHVLFZQCZKZOT-MLHZQLSASA-N 0 1 492.557 2.660 50 10 JFCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(c3)NC(=O)[C@@H]3CCCCN43)CC2)cc1 ZINC000009528772 555322468 /nfs/dbraw/zinc/32/24/68/555322468.db2.gz GKXQMZHFCDCLEC-VWLOTQADSA-N 0 1 477.609 2.948 50 10 JFCAMN O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21)NC[C@@H]1CCCO1 ZINC000009601677 555426755 /nfs/dbraw/zinc/42/67/55/555426755.db2.gz WVADNXANAVHIPR-IOVUBPJKSA-N 0 1 478.549 2.731 50 10 JFCAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000013573400 555511875 /nfs/dbraw/zinc/51/18/75/555511875.db2.gz RGGHTDNUGBUOLN-GQFSOJHHSA-N 0 1 469.925 2.513 50 10 JFCAMN COc1ccc(/C=C2/C(=O)NC(=O)N(C(C)(C)C)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000013713343 555590970 /nfs/dbraw/zinc/59/09/70/555590970.db2.gz LKVHREGGTWHGSE-LDADJPATSA-N 0 1 461.474 2.752 50 10 JFCAMN CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560292 555810941 /nfs/dbraw/zinc/81/09/41/555810941.db2.gz FPTBXPLERBWZLX-XMMPIXPASA-N 0 1 464.566 2.997 50 10 JFCAMN O=C1NCCCC[C@@H]1[NH2+]C1CCN(c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000012149432 555921245 /nfs/dbraw/zinc/92/12/45/555921245.db2.gz JZHHOVIJARAWAT-QFIPXVFZSA-N 0 1 460.575 2.854 50 10 JFCAMN O=C1Nc2ccccc2[C@@]12N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000015957014 556088739 /nfs/dbraw/zinc/08/87/39/556088739.db2.gz GZZDCSKTNMMCRO-AHQSTGFLSA-N 0 1 489.915 2.919 50 10 biogenic JFCAMN O=S(=O)(N1CCCC1)N1CCN(Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC000026626458 556258135 /nfs/dbraw/zinc/25/81/35/556258135.db2.gz IYWXUQXORWVFHG-UHFFFAOYSA-N 0 1 454.390 2.766 50 10 JFCAMN CN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000027016327 556268558 /nfs/dbraw/zinc/26/85/58/556268558.db2.gz RXCCXBDYFHNZPH-XDJHFCHBSA-N 0 1 477.615 2.848 50 10 JFCAMN CN1CCN(c2ccc(CNC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)cc2)CC1 ZINC000065363139 569675228 /nfs/dbraw/zinc/67/52/28/569675228.db2.gz DFJOWTMPWHZQFG-UHFFFAOYSA-N 0 1 477.030 2.806 50 10 JFCAMN NC(=O)COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)c1 ZINC000096114717 569733923 /nfs/dbraw/zinc/73/39/23/569733923.db2.gz UQVFPWIGSKKCML-OAHLLOKOSA-N 0 1 489.436 2.882 50 10 biogenic JFCAMN COc1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)cc1 ZINC000096222268 569739443 /nfs/dbraw/zinc/73/94/43/569739443.db2.gz KCCBVZRLKJVZBX-IBGZPJMESA-N 0 1 475.501 2.701 50 10 biogenic JFCAMN COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)cc1 ZINC000096222266 569739527 /nfs/dbraw/zinc/73/95/27/569739527.db2.gz KCCBVZRLKJVZBX-LJQANCHMSA-N 0 1 475.501 2.701 50 10 biogenic JFCAMN Cc1cccc(-n2c(O)c(C=NC3=C4C(=O)c5ccccc5C(=O)[C@H]4CC=C3)c(=O)[nH]c2=O)c1 ZINC000101112396 569783261 /nfs/dbraw/zinc/78/32/61/569783261.db2.gz DCXLJAINQRQEKK-JZJQOUJISA-N 0 1 453.454 2.817 50 10 JFCAMN O=C(C[C@H](c1ccsc1)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000230483956 570046452 /nfs/dbraw/zinc/04/64/52/570046452.db2.gz TYNFESCYZIQCRF-MRXNPFEDSA-N 0 1 451.504 2.754 50 10 JFCAMN COc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000001092677 194022510 /nfs/dbraw/zinc/02/25/10/194022510.db2.gz CQSYKKLEEVTUHC-WOJGMQOQSA-N 0 1 465.462 2.763 50 10 JFCAMN O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21)NC[C@H]1CCCO1 ZINC000009601678 194804219 /nfs/dbraw/zinc/80/42/19/194804219.db2.gz WVADNXANAVHIPR-DBRLUCFCSA-N 0 1 478.549 2.731 50 10 JFCAMN CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 ZINC000033436754 521700872 /nfs/dbraw/zinc/70/08/72/521700872.db2.gz DZYBFINTRWFMIL-GMYFBSLISA-N 0 1 499.662 2.525 50 10 JFCAMN CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 ZINC000022735211 523967195 /nfs/dbraw/zinc/96/71/95/523967195.db2.gz WBDOYXMGZHEBKF-VWLOTQADSA-N 0 1 463.626 2.675 50 10 JFCAMN Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c(C)c1 ZINC000022734498 524279655 /nfs/dbraw/zinc/27/96/55/524279655.db2.gz LMFFXDNZEOQQTB-XMMPIXPASA-N 0 1 463.626 2.648 50 10 JFCAMN COc1ccc(N2CCN(CCCNC(=O)c3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)cc1 ZINC000033060257 524423116 /nfs/dbraw/zinc/42/31/16/524423116.db2.gz NLFZPHUQOQYKGS-UHFFFAOYSA-N 0 1 498.584 2.880 50 10 JFCAMN COc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 ZINC000022734887 524663121 /nfs/dbraw/zinc/66/31/21/524663121.db2.gz YNGKEAUOUKPLSS-QHCPKHFHSA-N 0 1 452.599 2.561 50 10 JFCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c(C)c1 ZINC000022735294 525006113 /nfs/dbraw/zinc/00/61/13/525006113.db2.gz JMTHVVQOXNFIBE-RUZDIDTESA-N 0 1 463.626 2.729 50 10 JFCAMN Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c2ccccc2n1 ZINC000022734450 525108285 /nfs/dbraw/zinc/10/82/85/525108285.db2.gz FHHUVYSTAPXDLT-AREMUKBSSA-N 0 1 486.620 2.579 50 10 JFCAMN COc1ccc(N2C(=O)/C(=C\c3ccc(I)o3)C(=O)NC2=S)cc1 ZINC000006645245 554557477 /nfs/dbraw/zinc/55/74/77/554557477.db2.gz HTXVNXQQRNJKBM-WQLSENKSSA-N 0 1 454.245 2.724 50 10 JFCAMN CN1CCCc2cc([C@H](CNS(=O)(=O)c3ccc4c(c3)OCCO4)N3CCCC3)ccc21 ZINC000008799058 554686726 /nfs/dbraw/zinc/68/67/26/554686726.db2.gz GUGJLMPOYXTXML-QFIPXVFZSA-N 0 1 457.596 2.956 50 10 JFCAMN CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000008813946 554696208 /nfs/dbraw/zinc/69/62/08/554696208.db2.gz LOCRJKJTZSHPHG-DEOSSOPVSA-N 0 1 480.609 2.836 50 10 JFCAMN COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c(OC)c1 ZINC000009135569 554932508 /nfs/dbraw/zinc/93/25/08/554932508.db2.gz XJABCIBNWKLYKR-QHCPKHFHSA-N 0 1 466.582 2.978 50 10 JFCAMN CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 ZINC000009135805 554932521 /nfs/dbraw/zinc/93/25/21/554932521.db2.gz NHXIQFQKDFWZRY-XMMPIXPASA-N 0 1 463.582 2.919 50 10 JFCAMN Cc1nc2c(C(=O)NCCC[NH+]3CCOCC3)c[n-]n2c(=O)c1Cc1ccc(F)cc1Cl ZINC000020136959 555660982 /nfs/dbraw/zinc/66/09/82/555660982.db2.gz ZFICWFJRMVIGPV-UHFFFAOYSA-N 0 1 461.925 2.579 50 10 JFCAMN O=C1Nc2ccc(F)cc2[C@@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016021251 556113677 /nfs/dbraw/zinc/11/36/77/556113677.db2.gz QYXPJYWPGHOFPM-MPWBWRNSSA-N 0 1 479.508 2.533 50 10 JFCAMN O=C1Nc2ccc(F)cc2[C@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016021255 556113753 /nfs/dbraw/zinc/11/37/53/556113753.db2.gz QYXPJYWPGHOFPM-GDNALLQQSA-N 0 1 479.508 2.533 50 10 JFCAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2c1cccc2Cl ZINC000016025241 556116034 /nfs/dbraw/zinc/11/60/34/556116034.db2.gz BYMISFGRUKMVOU-RSOWOLOUSA-N 0 1 469.925 2.514 50 10 JFCAMN COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 ZINC000013007860 556199211 /nfs/dbraw/zinc/19/92/11/556199211.db2.gz DGFJCMBHTNYBFA-HSZRJFAPSA-N 0 1 466.582 2.978 50 10 JFCAMN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000013121338 556337232 /nfs/dbraw/zinc/33/72/32/556337232.db2.gz VTFMEHLXFMZSGQ-HXUWFJFHSA-N 0 1 486.638 2.767 50 10 JFCAMN COC(=O)C1C(CN2CCN(c3ccc(OC)cc3)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000057415095 569600377 /nfs/dbraw/zinc/60/03/77/569600377.db2.gz YUKMTSMVXNXLPH-QFIPXVFZSA-N 0 1 470.957 2.952 50 10 JFCAMN CCOc1ccccc1[C@H]1NC(=O)N=C(CN2CCN(c3ccc(OC)cc3)CC2)C1C(=O)OC ZINC000057415754 569601125 /nfs/dbraw/zinc/60/11/25/569601125.db2.gz KNGQUHRUCPDZBP-XMMPIXPASA-N 0 1 480.565 2.697 50 10 JFCAMN NC(=O)COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)c1 ZINC000096114716 569733845 /nfs/dbraw/zinc/73/38/45/569733845.db2.gz UQVFPWIGSKKCML-HNNXBMFYSA-N 0 1 489.436 2.882 50 10 biogenic JFCAMN Cc1cccc(-n2c(O)c(C=NC3=C4C(=O)c5ccccc5C(=O)[C@H]4CC=C3)c(=O)[nH]c2=O)c1 ZINC000101112393 569783173 /nfs/dbraw/zinc/78/31/73/569783173.db2.gz DCXLJAINQRQEKK-WTNJKROQSA-N 0 1 453.454 2.817 50 10 JFCAMN COc1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)cc1 ZINC000206062548 569874525 /nfs/dbraw/zinc/87/45/25/569874525.db2.gz VDDDZPUYVCEZRP-IBGZPJMESA-N 0 1 475.501 2.701 50 10 JFCAMN COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)cc1 ZINC000206062517 569874584 /nfs/dbraw/zinc/87/45/84/569874584.db2.gz VDDDZPUYVCEZRP-LJQANCHMSA-N 0 1 475.501 2.701 50 10 JFCAMN O=C(C[C@H](c1ccc(F)cc1)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000218325609 569883224 /nfs/dbraw/zinc/88/32/24/569883224.db2.gz FTEXRCPJDUXTRD-GOSISDBHSA-N 0 1 463.465 2.831 50 10 JFCAMN O=C(C[C@H](c1ccsc1)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000218325783 569883234 /nfs/dbraw/zinc/88/32/34/569883234.db2.gz CROCKSWSSGZSOW-MRXNPFEDSA-N 0 1 451.504 2.754 50 10 JFCAMN CC(C)(C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000248249769 570076689 /nfs/dbraw/zinc/07/66/89/570076689.db2.gz RWDICRJTVGAJFP-LGIZFMHMSA-N 0 1 469.925 2.513 50 10 JFCAMN CCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(CC)CC2)SC1=S ZINC000001282688 194081589 /nfs/dbraw/zinc/08/15/89/194081589.db2.gz MVLQQEMHFBSCII-VKAVYKQESA-N 0 1 457.625 2.756 50 10 JFCAMN CC[C@@H](C)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(CC)CC2)SC1=S ZINC000001481329 194125791 /nfs/dbraw/zinc/12/57/91/194125791.db2.gz QBUYASLXEHBUHY-ARSNJYAISA-N 0 1 457.625 2.836 50 10 JFCAMN CC[C@H](C)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(CC)CC2)SC1=S ZINC000001481331 194125849 /nfs/dbraw/zinc/12/58/49/194125849.db2.gz QBUYASLXEHBUHY-YIQZXQSLSA-N 0 1 457.625 2.836 50 10 JFCAMN CCOC(=O)C1C(CN2CCN(c3ccc(OC)cc3)CC2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000057478280 195343491 /nfs/dbraw/zinc/34/34/91/195343491.db2.gz RMVVKMVVZSEGRU-HSZRJFAPSA-N 0 1 468.529 2.828 50 10 JFCAMN CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000008607644 521166395 /nfs/dbraw/zinc/16/63/95/521166395.db2.gz XKLRNUCTHIMJSH-DEOSSOPVSA-N 0 1 450.583 2.691 50 10 JFCAMN CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 ZINC000022735279 521522511 /nfs/dbraw/zinc/52/25/11/521522511.db2.gz FYYLADUCDXFYLM-XMMPIXPASA-N 0 1 479.625 2.511 50 10 JFCAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCCOc1ccc(C)cc1 ZINC000012285290 522311339 /nfs/dbraw/zinc/31/13/39/522311339.db2.gz RDNBWZOOQVJQJW-UHFFFAOYSA-N 0 1 475.295 2.973 50 10 JFCAMN COC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000001176625 523219942 /nfs/dbraw/zinc/21/99/42/523219942.db2.gz BRPACPJMUUNKFG-YBEGLDIGSA-N 0 1 475.320 2.832 50 10 JFCAMN 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464.566 2.732 50 10 JFCAMN CCc1ccc2c(c1)[C@@]1(N[C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016033904 556117937 /nfs/dbraw/zinc/11/79/37/556117937.db2.gz RLUGXWLFCZJFNM-BMEWAZJXSA-N 0 1 489.572 2.956 50 10 JFCAMN COC(=O)C[C@H]1C(=O)NCCN1Cc1c(O)c(C(=O)Nc2ccccc2C)cc2ccccc21 ZINC000012914002 556133026 /nfs/dbraw/zinc/13/30/26/556133026.db2.gz ZDLMXEIRCBCUHW-QFIPXVFZSA-N 0 1 461.518 2.970 50 10 JFCAMN COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 ZINC000013007863 556199076 /nfs/dbraw/zinc/19/90/76/556199076.db2.gz DGFJCMBHTNYBFA-QHCPKHFHSA-N 0 1 466.582 2.978 50 10 JFCAMN COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 ZINC000013007948 556199411 /nfs/dbraw/zinc/19/94/11/556199411.db2.gz LPHOPWQHTAKXSY-XMMPIXPASA-N 0 1 450.583 2.647 50 10 JFCAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)N3CCCCC3)ccc21 ZINC000013007917 556199505 /nfs/dbraw/zinc/19/95/05/556199505.db2.gz LCFZPFJDLCAKFX-OAQYLSRUSA-N 0 1 450.539 2.690 50 10 JFCAMN 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COc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 ZINC000022734884 524662890 /nfs/dbraw/zinc/66/28/90/524662890.db2.gz YNGKEAUOUKPLSS-HSZRJFAPSA-N 0 1 452.599 2.561 50 10 JFCAMN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 ZINC000022734486 525761089 /nfs/dbraw/zinc/76/10/89/525761089.db2.gz WBOVMBURMDBCTB-HSZRJFAPSA-N 0 1 470.017 2.684 50 10 JFCAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1cccc(F)c1 ZINC000001177960 553927125 /nfs/dbraw/zinc/92/71/25/553927125.db2.gz WZIZVPKPTLHHFN-UHFFFAOYSA-N 0 1 496.232 2.767 50 10 JFCAMN CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)CC1 ZINC000002321065 554147359 /nfs/dbraw/zinc/14/73/59/554147359.db2.gz LQDYDLGZIHYNQE-ATVHPVEESA-N 0 1 457.625 2.754 50 10 JFCAMN CCOc1cccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)C(=O)NC2=S)c1 ZINC000006573622 554551714 /nfs/dbraw/zinc/55/17/14/554551714.db2.gz OFRNRSWVEHNVBU-NVNXTCNLSA-N 0 1 457.464 2.842 50 10 JFCAMN COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c(OC)c1 ZINC000009135568 554932476 /nfs/dbraw/zinc/93/24/76/554932476.db2.gz XJABCIBNWKLYKR-HSZRJFAPSA-N 0 1 466.582 2.978 50 10 JFCAMN COc1ccc(N2CCN(C(=O)C3CCN(c4nc(Cl)nc5[nH]cnc54)CC3)CC2)cc1 ZINC000009421195 555187516 /nfs/dbraw/zinc/18/75/16/555187516.db2.gz QNCHGBUDYOLPCO-UHFFFAOYSA-N 0 1 455.950 2.580 50 10 JFCAMN CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000020283468 555752753 /nfs/dbraw/zinc/75/27/53/555752753.db2.gz BHAHFZGQOUAVSD-QHCPKHFHSA-N 0 1 450.539 2.689 50 10 JFCAMN COc1ccc(N2CCN(C(=O)c3cncc(NS(=O)(=O)c4ccccc4)c3)CC2)cc1 ZINC000015778594 555997605 /nfs/dbraw/zinc/99/76/05/555997605.db2.gz AQMKFCMTGZSUSJ-UHFFFAOYSA-N 0 1 452.536 2.853 50 10 JFCAMN O=C1Nc2ccccc2[C@]12N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000015957015 556088788 /nfs/dbraw/zinc/08/87/88/556088788.db2.gz GZZDCSKTNMMCRO-GDNALLQQSA-N 0 1 489.915 2.919 50 10 biogenic JFCAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CCN(C)CC3)ccc21 ZINC000023857706 556093119 /nfs/dbraw/zinc/09/31/19/556093119.db2.gz XZZUQWCZSUNDFI-JOCHJYFZSA-N 0 1 473.980 2.515 50 10 JFCAMN CCc1ccc2c(c1)[C@@]1(N[C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015967811 556094119 /nfs/dbraw/zinc/09/41/19/556094119.db2.gz ONEXPVCGLIADDB-PXMCIRSJSA-N 0 1 497.551 2.824 50 10 biogenic JFCAMN CCc1ccc2c(c1)[C@@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015967815 556094243 /nfs/dbraw/zinc/09/42/43/556094243.db2.gz ONEXPVCGLIADDB-KMGQHQDOSA-N 0 1 497.551 2.824 50 10 biogenic JFCAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016022224 556114781 /nfs/dbraw/zinc/11/47/81/556114781.db2.gz RGGHTDNUGBUOLN-BATOJLOWSA-N 0 1 469.925 2.513 50 10 JFCAMN CCc1ccc2c(c1)[C@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016033905 556118062 /nfs/dbraw/zinc/11/80/62/556118062.db2.gz RLUGXWLFCZJFNM-IGGVYQGESA-N 0 1 489.572 2.956 50 10 JFCAMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1O ZINC000017299783 556253399 /nfs/dbraw/zinc/25/33/99/556253399.db2.gz IBRPGHOMXAUXRG-GHXNOFRVSA-N 0 1 480.283 2.837 50 10 JFCAMN COc1ccc(N2CCN(CCCNC(=O)c3cc(=O)n4c5ccccc5nc4s3)CC2)cc1 ZINC000033008851 569615925 /nfs/dbraw/zinc/61/59/25/569615925.db2.gz STLKYHFKKUWPIM-UHFFFAOYSA-N 0 1 477.590 2.860 50 10 JFCAMN CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)CC1 ZINC000033863177 569636581 /nfs/dbraw/zinc/63/65/81/569636581.db2.gz IWELBDUTRDYPIS-GHRIWEEISA-N 0 1 457.625 2.754 50 10 JFCAMN O=C(C[C@H](c1ccc2nccnc2c1)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000218142703 569882956 /nfs/dbraw/zinc/88/29/56/569882956.db2.gz OTTDJKIVHNSACF-GOSISDBHSA-N 0 1 497.511 2.635 50 10 JFCAMN O=C(C[C@@H](c1ccsc1)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000230483916 570046472 /nfs/dbraw/zinc/04/64/72/570046472.db2.gz TYNFESCYZIQCRF-INIZCTEOSA-N 0 1 451.504 2.754 50 10 JFCAMN