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)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2)n1 ZINC000001907452 194154773 /nfs/dbraw/zinc/15/47/73/194154773.db2.gz SJVBMKJIHIFQAT-UHFFFAOYSA-N 0 1 489.579 2.397 50 0 JEAAMN Cc1ccc(C)c(Cn2c(N3CCN(CCc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000009714301 194910155 /nfs/dbraw/zinc/91/01/55/194910155.db2.gz JDBCRIQJFKQBBF-UHFFFAOYSA-N 0 1 472.593 2.453 50 0 JEAAMN CCOC(=O)C1C(COC(=O)c2cn3ccccc3n2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000012604169 195049096 /nfs/dbraw/zinc/04/90/96/195049096.db2.gz RZLPQOKUQKUMEI-HXUWFJFHSA-N 0 1 450.451 2.371 50 0 JEAAMN COc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000012630787 195062999 /nfs/dbraw/zinc/06/29/99/195062999.db2.gz AJJLDGWVBXPQPM-KRWDZBQOSA-N 0 1 452.554 2.064 50 0 JEAAMN O=C(CN1c2ccccc2OCCC1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000012766071 195113613 /nfs/dbraw/zinc/11/36/13/195113613.db2.gz ZNHBBSVWIOFZCX-UHFFFAOYSA-N 0 1 453.480 2.032 50 0 JEAAMN C[C@@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012768987 195116170 /nfs/dbraw/zinc/11/61/70/195116170.db2.gz ALUZPYISFSXPHM-QGZVFWFLSA-N 0 1 459.568 2.384 50 0 JEAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000012771533 195118022 /nfs/dbraw/zinc/11/80/22/195118022.db2.gz JVJXALAIQIFLBG-UHFFFAOYSA-N 0 1 498.634 2.371 50 0 JEAAMN COCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000012868509 195162535 /nfs/dbraw/zinc/16/25/35/195162535.db2.gz PUEPEDGZSJJHQW-JOCHJYFZSA-N 0 1 461.584 2.187 50 0 JEAAMN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2ccc(C)cc21 ZINC000020757497 195216487 /nfs/dbraw/zinc/21/64/87/195216487.db2.gz PJFNFMLIJCUIDD-ZUVQJFRASA-N 0 1 458.518 2.086 50 0 biogenic JEAAMN COc1cc(OC)c(OC)cc1CN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 ZINC000020907439 195245338 /nfs/dbraw/zinc/24/53/38/195245338.db2.gz UGEXNLLGGPDWLJ-UHFFFAOYSA-N 0 1 469.517 2.431 50 0 JEAAMN Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000020944038 195256294 /nfs/dbraw/zinc/25/62/94/195256294.db2.gz IUZVELMIPBHSLW-UHFFFAOYSA-N 0 1 456.566 2.176 50 0 JEAAMN COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(Cc1ccc(C)cc1)CC2 ZINC000020996140 195264611 /nfs/dbraw/zinc/26/46/11/195264611.db2.gz RYCRGRKCYXMKNG-OAQYLSRUSA-N 0 1 467.566 2.391 50 0 JEAAMN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCOCC1 ZINC000096324128 130068409 /nfs/dbraw/zinc/06/84/09/130068409.db2.gz FMWVZARDMSBBAL-UHFFFAOYSA-N 0 1 477.564 2.121 50 0 JEAAMN CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(CC)n4)cs3)C2)CC1 ZINC000033279410 519856574 /nfs/dbraw/zinc/85/65/74/519856574.db2.gz XNFIGSDCPRCDAO-INIZCTEOSA-N 0 1 481.644 2.315 50 0 JEAAMN CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCN(C)CCc1ccccc1)cn2C ZINC000004436141 520813968 /nfs/dbraw/zinc/81/39/68/520813968.db2.gz JUDMGADFXQPHCI-UHFFFAOYSA-N 0 1 498.649 2.473 50 0 JEAAMN CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCOC)ccc2N2CC[NH2+]CC2)cc1 ZINC000033034120 521412790 /nfs/dbraw/zinc/41/27/90/521412790.db2.gz YUNXMBOJOWBCKZ-UHFFFAOYSA-N 0 1 460.600 2.226 50 0 JEAAMN CCOC(CNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2c1=O)OCC ZINC000006181038 521632402 /nfs/dbraw/zinc/63/24/02/521632402.db2.gz PNRKSJNMCUYPLN-UHFFFAOYSA-N 0 1 485.562 2.408 50 0 JEAAMN COc1cc(=O)n2c(c1C(=O)NCCCn1cccn1)CCN(Cc1sccc1C)CC2 ZINC000020452478 522016850 /nfs/dbraw/zinc/01/68/50/522016850.db2.gz QCIULJHNUAIYAC-UHFFFAOYSA-N 0 1 455.584 2.302 50 0 JEAAMN COc1cc(C(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(C)c2)cc(OC)c1OC ZINC000045966972 522063383 /nfs/dbraw/zinc/06/33/83/522063383.db2.gz NSNAGIAMBYKLJH-UHFFFAOYSA-N 0 1 455.555 2.485 50 0 JEAAMN COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2cccnc2)cc(OC)c1OC ZINC000008662333 522929236 /nfs/dbraw/zinc/92/92/36/522929236.db2.gz WHJGKYMUZBYMGY-VCBZYWHSSA-N 0 1 455.389 2.211 50 0 JEAAMN CN(CCc1noc(-c2ccc(C(=O)NCCN3CCN(C)CC3)cc2)n1)C(=O)c1ccc(F)cc1 ZINC000033273532 522995372 /nfs/dbraw/zinc/99/53/72/522995372.db2.gz FFARQIVLOBRSLD-UHFFFAOYSA-N 0 1 494.571 2.168 50 0 JEAAMN CN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCC4(CC3)OCCO4)c(=O)c2c1 ZINC000006181007 523349994 /nfs/dbraw/zinc/34/99/94/523349994.db2.gz GWEWHOVBYVTFJH-UHFFFAOYSA-N 0 1 497.573 2.328 50 0 JEAAMN COCCN(C(=O)CSc1nc2ccc(C)cc2[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012476561 523537349 /nfs/dbraw/zinc/53/73/49/523537349.db2.gz WUXFGWNXFYTJCQ-UHFFFAOYSA-N 0 1 494.577 2.124 50 0 JEAAMN COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cn(C)nc1C)CC2 ZINC000014746836 523799820 /nfs/dbraw/zinc/79/98/20/523799820.db2.gz XYUOOECDRJVHFW-UHFFFAOYSA-N 0 1 451.571 2.141 50 0 JEAAMN CN1CCN(CCN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)CC1 ZINC000021864233 523902140 /nfs/dbraw/zinc/90/21/40/523902140.db2.gz NAJDJHUJZQTZGY-RUZDIDTESA-N 0 1 453.587 2.269 50 0 JEAAMN COCCNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000033034123 523924624 /nfs/dbraw/zinc/92/46/24/523924624.db2.gz CRBSWCASQHRUEE-UHFFFAOYSA-N 0 1 466.991 2.235 50 0 JEAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 ZINC000012528152 523926556 /nfs/dbraw/zinc/92/65/56/523926556.db2.gz ROMRXVJSWPZLMH-HSZRJFAPSA-N 0 1 455.946 2.498 50 0 JEAAMN COc1ccc(CCn2c(=O)[nH]c([O-])c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c2=O)cc1OC ZINC000020412265 523985323 /nfs/dbraw/zinc/98/53/23/523985323.db2.gz VGQGFSRKOZSTLS-QFIPXVFZSA-N 0 1 462.506 2.219 50 0 biogenic JEAAMN COc1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c(OC)c1OC ZINC000014881844 524039731 /nfs/dbraw/zinc/03/97/31/524039731.db2.gz MYDGHLKNCCJPAR-UHFFFAOYSA-N 0 1 480.569 2.006 50 0 JEAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)CC2)c1 ZINC000033269427 524124775 /nfs/dbraw/zinc/12/47/75/524124775.db2.gz ISWPOPOTYQAGPN-UHFFFAOYSA-N 0 1 487.670 2.245 50 0 JEAAMN COc1ccc(Cl)cc1S(=O)(=O)N(CCC(=O)N1CCNCC1)CCc1ccccc1 ZINC000045944314 524247405 /nfs/dbraw/zinc/24/74/05/524247405.db2.gz AGBOFICKSQQAFX-UHFFFAOYSA-N 0 1 466.003 2.404 50 0 JEAAMN Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCOCC3)ccc2N2CC[NH2+]CC2)cc1C ZINC000033033601 524322483 /nfs/dbraw/zinc/32/24/83/524322483.db2.gz XFBCOCQXRQTWCN-UHFFFAOYSA-N 0 1 472.611 2.295 50 0 JEAAMN Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CCC(N)=O)N[C@]32c3ccc(Cl)c(C)c3NC2=O)c1 ZINC000020517687 524411607 /nfs/dbraw/zinc/41/16/07/524411607.db2.gz YJOVIDPWQILJHJ-NRGSMNHXSA-N 0 1 480.952 2.456 50 0 JEAAMN Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)NC[C@@H]3CCCO3)ccc2N2CC[NH2+]CC2)c1 ZINC000033033724 524807145 /nfs/dbraw/zinc/80/71/45/524807145.db2.gz QOLUAWJILQNKKK-IBGZPJMESA-N 0 1 458.584 2.114 50 0 JEAAMN Cc1ccc(NS(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCOCC4)o3)c2)cc1Cl ZINC000033279574 525295744 /nfs/dbraw/zinc/29/57/44/525295744.db2.gz DKWVNCAXFMTFPY-UHFFFAOYSA-N 0 1 451.892 2.300 50 0 JEAAMN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(Cc3cccc4ccccc43)CC2)C1=O ZINC000022808367 525332786 /nfs/dbraw/zinc/33/27/86/525332786.db2.gz BRUNKYLNCRFJTN-HHHXNRCGSA-N 0 1 471.561 2.456 50 0 JEAAMN Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048220 525583294 /nfs/dbraw/zinc/58/32/94/525583294.db2.gz KLVLLTCNBRQKSB-UHFFFAOYSA-N 0 1 494.621 2.438 50 0 JEAAMN Cc1c(C(=O)NCCN2CCCCC2)sc2ncnc(NC[C@H]3CCS(=O)(=O)C3)c12 ZINC000014992405 525611171 /nfs/dbraw/zinc/61/11/71/525611171.db2.gz IIMXYRVNWHJDKU-OAHLLOKOSA-N 0 1 451.618 2.062 50 0 JEAAMN O=C(NCc1cccnc1)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000033033817 526768879 /nfs/dbraw/zinc/76/88/79/526768879.db2.gz DHLYTVSBLFPWMH-UHFFFAOYSA-N 0 1 469.542 2.361 50 0 JEAAMN NS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000021822134 527309901 /nfs/dbraw/zinc/30/99/01/527309901.db2.gz GSBVFUPTVOHSBB-UHFFFAOYSA-N 0 1 492.645 2.400 50 0 JEAAMN NC(=O)C1CCN(C(=O)CCCn2c(=O)c3cc(Br)ccc3[nH]c2=S)CC1 ZINC000002973766 554414433 /nfs/dbraw/zinc/41/44/33/554414433.db2.gz DYEJGFXZQBXZLW-UHFFFAOYSA-N 0 1 453.362 2.326 50 0 JEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)N[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000009348146 555114409 /nfs/dbraw/zinc/11/44/09/555114409.db2.gz YYJXDZGLZDJNEF-DLRJPAPCSA-N 0 1 464.360 2.252 50 0 JEAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1 ZINC000009414685 555181910 /nfs/dbraw/zinc/18/19/10/555181910.db2.gz MUWUYLBNTOHQMX-UHFFFAOYSA-N 0 1 489.531 2.452 50 0 JEAAMN CCOC(=O)C1C(COC(=O)Cc2ccc3c(c2)OCCO3)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000009639487 555348670 /nfs/dbraw/zinc/34/86/70/555348670.db2.gz ONLRPKYWNITKAC-QHCPKHFHSA-N 0 1 482.489 2.423 50 0 JEAAMN CN1CCN(S(=O)(=O)c2ccc(N3CCCN(Cc4ccc(Cl)cc4)CC3)nc2)CC1 ZINC000009639631 555349150 /nfs/dbraw/zinc/34/91/50/555349150.db2.gz ICLQGQLPNSDMRT-UHFFFAOYSA-N 0 1 464.035 2.383 50 0 JEAAMN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2)C[C@@H](C)O1 ZINC000009670195 555386565 /nfs/dbraw/zinc/38/65/65/555386565.db2.gz FJDDTHWFVKDKHE-RTBURBONSA-N 0 1 472.611 2.489 50 0 JEAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)ccc1C ZINC000009672310 555393761 /nfs/dbraw/zinc/39/37/61/555393761.db2.gz MOEKGQZQSTWCMU-HSZRJFAPSA-N 0 1 486.550 2.463 50 0 JEAAMN CCOC(=O)C1C(COC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000009683173 555410934 /nfs/dbraw/zinc/41/09/34/555410934.db2.gz NHJOUWUQWRRJAF-HRAATJIYSA-N 0 1 455.511 2.192 50 0 JEAAMN Cc1ccc(CN2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cccc(C)c3)CC2)cc1 ZINC000009714225 555442800 /nfs/dbraw/zinc/44/28/00/555442800.db2.gz DIBOSIYBRPPSTL-UHFFFAOYSA-N 0 1 458.566 2.411 50 0 JEAAMN COc1ccc(-c2n[nH]c(SCC(=O)NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)n2)cc1 ZINC000009741494 555472873 /nfs/dbraw/zinc/47/28/73/555472873.db2.gz LOEVZAVHDZFIBT-NRFANRHFSA-N 0 1 452.496 2.071 50 0 JEAAMN COc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 ZINC000013718643 555594808 /nfs/dbraw/zinc/59/48/08/555594808.db2.gz GGDJPPDHVCRUDL-LBPRGKRZSA-N 0 1 452.510 2.011 50 0 JEAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000014016726 555671168 /nfs/dbraw/zinc/67/11/68/555671168.db2.gz JYJBBJGFDAQLIB-ZDUSSCGKSA-N 0 1 456.977 2.404 50 0 JEAAMN COc1ccc([C@H](CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)N2CCCCC2)cc1 ZINC000014158472 555715542 /nfs/dbraw/zinc/71/55/42/555715542.db2.gz RVFFKAUAKPSCRN-NRFANRHFSA-N 0 1 470.595 2.467 50 0 JEAAMN COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000010727811 555736357 /nfs/dbraw/zinc/73/63/57/555736357.db2.gz LHBXHJLSWGNLON-AWEZNQCLSA-N 0 1 456.480 2.470 50 0 JEAAMN CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCN1CCN(c2cc(C)ccc2C)CC1 ZINC000020531872 555799524 /nfs/dbraw/zinc/79/95/24/555799524.db2.gz WKUQEWMSJUPQAM-UHFFFAOYSA-N 0 1 482.625 2.186 50 0 biogenic JEAAMN COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(NC(C)=O)c1 ZINC000011906661 555854408 /nfs/dbraw/zinc/85/44/08/555854408.db2.gz ZMOURFKQBXJKJO-UHFFFAOYSA-N 0 1 453.542 2.384 50 0 JEAAMN CC(=O)Nc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1 ZINC000015068590 555868806 /nfs/dbraw/zinc/86/88/06/555868806.db2.gz SAYXPZCLELJCGE-UHFFFAOYSA-N 0 1 450.518 2.293 50 0 JEAAMN COc1cc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c(OC)cc1Cl ZINC000011997541 555879437 /nfs/dbraw/zinc/87/94/37/555879437.db2.gz DDMDHGFGKZNBFC-UHFFFAOYSA-N 0 1 460.917 2.225 50 0 JEAAMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@H](C)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)C1=O ZINC000015319408 555897221 /nfs/dbraw/zinc/89/72/21/555897221.db2.gz GAAPDSWHBIEVAT-XLXVEECESA-N 0 1 467.909 2.243 50 0 JEAAMN COc1cc(COC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC ZINC000022915505 555969688 /nfs/dbraw/zinc/96/96/88/555969688.db2.gz MWKONKYKMAZZIA-HXUWFJFHSA-N 0 1 474.554 2.136 50 0 JEAAMN CCN1CC[NH+](CCCNC(=O)CCCN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)CC1 ZINC000022936453 555989078 /nfs/dbraw/zinc/98/90/78/555989078.db2.gz FZIJLNVSPKZUCX-DEOSSOPVSA-N 0 1 465.598 2.472 50 0 JEAAMN COc1cc(Br)c(S(=O)(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc1OC ZINC000022959435 555993795 /nfs/dbraw/zinc/99/37/95/555993795.db2.gz YLUQATRKGXGMIZ-UHFFFAOYSA-N 0 1 465.347 2.056 50 0 JEAAMN COc1ccc(CNC(=O)C(=O)NC[C@H](c2cccnc2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000023203192 556030925 /nfs/dbraw/zinc/03/09/25/556030925.db2.gz UINPXUACSAUYDX-AREMUKBSSA-N 0 1 487.604 2.382 50 0 JEAAMN COc1ccc(NS(=O)(=O)c2cc(-c3cc(C(=O)N4CCOCC4)[nH]n3)ccc2OC)cc1 ZINC000015861499 556033840 /nfs/dbraw/zinc/03/38/40/556033840.db2.gz RKACTJKGZUNVBI-UHFFFAOYSA-N 0 1 472.523 2.367 50 0 JEAAMN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000012557118 556044232 /nfs/dbraw/zinc/04/42/32/556044232.db2.gz GECDKZSBOFNAJN-UHFFFAOYSA-N 0 1 452.554 2.006 50 0 JEAAMN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000015956669 556088749 /nfs/dbraw/zinc/08/87/49/556088749.db2.gz HUNPJPIHFBDLNE-UJAPCULTSA-N 0 1 480.952 2.143 50 0 biogenic JEAAMN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000015956671 556088828 /nfs/dbraw/zinc/08/88/28/556088828.db2.gz HUNPJPIHFBDLNE-WKVINZIJSA-N 0 1 480.952 2.143 50 0 biogenic JEAAMN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2c1cc(C)cc2C ZINC000015970089 556095969 /nfs/dbraw/zinc/09/59/69/556095969.db2.gz KAMZZEXAJMOTQQ-YHZQYDDPSA-N 0 1 472.545 2.394 50 0 biogenic JEAAMN Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CCC(N)=O)N[C@@]32c3ccc(Cl)c(C)c3NC2=O)c1 ZINC000016010032 556109075 /nfs/dbraw/zinc/10/90/75/556109075.db2.gz ODVQLXGKARNUNG-BKJGLDIHSA-N 0 1 466.925 2.147 50 0 JEAAMN NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 ZINC000016010138 556109364 /nfs/dbraw/zinc/10/93/64/556109364.db2.gz YSIZNFPCELLMEC-PBWVOLNLSA-N 0 1 473.316 2.184 50 0 JEAAMN CCc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1 ZINC000012976585 556169377 /nfs/dbraw/zinc/16/93/77/556169377.db2.gz LIJPVMZLXBSFGR-GFCCVEGCSA-N 0 1 468.553 2.498 50 0 JEAAMN COC(=O)C1CCN(C(=O)CCc2csc(NS(=O)(=O)c3ccc(OC)cc3)n2)CC1 ZINC000016848506 556169998 /nfs/dbraw/zinc/16/99/98/556169998.db2.gz VWEVUFMHDLAICX-UHFFFAOYSA-N 0 1 467.569 2.297 50 0 JEAAMN COc1ccc(OC)c(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)c1 ZINC000017027739 556207319 /nfs/dbraw/zinc/20/73/19/556207319.db2.gz ZVNSXYMNHKFIFK-YKSBVNFPSA-N 0 1 450.495 2.490 50 0 JEAAMN O=C(NCCn1ncc2c1ncnc2N1CCN(Cc2ccccc2)CC1)[C@H]1COc2ccccc2O1 ZINC000017179113 556234000 /nfs/dbraw/zinc/23/40/00/556234000.db2.gz ARPWRMWRUXWHNQ-XMMPIXPASA-N 0 1 499.575 2.105 50 0 JEAAMN COCCN(C(=O)CN[C@H](C)c1cccc(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013039299 556239794 /nfs/dbraw/zinc/23/97/94/556239794.db2.gz MBQADVLOCQMGHW-MRXNPFEDSA-N 0 1 485.972 2.151 50 0 JEAAMN COc1cc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc(OC)c1 ZINC000019301027 556339270 /nfs/dbraw/zinc/33/92/70/556339270.db2.gz CGSSPLLFIRRBJK-UHFFFAOYSA-N 0 1 453.518 2.352 50 0 JEAAMN CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000029369448 556351069 /nfs/dbraw/zinc/35/10/69/556351069.db2.gz AOZZFTAZJFWKHE-UHFFFAOYSA-N 0 1 460.600 2.453 50 0 JEAAMN CN1CCN([C@@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)c2ccccc2Cl)CC1 ZINC000019819078 556387295 /nfs/dbraw/zinc/38/72/95/556387295.db2.gz OIFJUSZXMMNZQW-NRFANRHFSA-N 0 1 491.013 2.125 50 0 JEAAMN COC(CNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3cccc(C)c3)cc2c1=O)OC ZINC000006296690 569589040 /nfs/dbraw/zinc/58/90/40/569589040.db2.gz HJCPWCWSMRPVSL-UHFFFAOYSA-N 0 1 459.524 2.010 50 0 JEAAMN COC(=O)C1=C(CN2CCN(c3cccc(OC)c3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414627 569600011 /nfs/dbraw/zinc/60/00/11/569600011.db2.gz JQWVUOUBDARWKT-QHCPKHFHSA-N 0 1 466.538 2.307 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(c3ccccn3)CC2)=NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000057415532 569600820 /nfs/dbraw/zinc/60/08/20/569600820.db2.gz ZWEGINKNJUCQOM-QHCPKHFHSA-N 0 1 465.554 2.474 50 0 JEAAMN CCOc1ccc([C@H]2NC(=O)NC(CN3CCN(c4ccccn4)CC3)=C2C(=O)OC)cc1 ZINC000057415418 569600822 /nfs/dbraw/zinc/60/08/22/569600822.db2.gz BCXZXZXPVUYMBR-JOCHJYFZSA-N 0 1 451.527 2.084 50 0 JEAAMN O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000060366410 569608946 /nfs/dbraw/zinc/60/89/46/569608946.db2.gz AYEHEYOJCRBQRU-FQEVSTJZSA-N 0 1 474.652 2.305 50 0 JEAAMN O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000060366409 569608964 /nfs/dbraw/zinc/60/89/64/569608964.db2.gz AYEHEYOJCRBQRU-HXUWFJFHSA-N 0 1 474.652 2.305 50 0 JEAAMN CCCN1CCN(C(=O)CCC(=O)N2CCc3c(c(C(=O)Nc4cccc(F)c4)nn3C)C2)CC1 ZINC000064565595 569619050 /nfs/dbraw/zinc/61/90/50/569619050.db2.gz POMHXBDWILUFFM-UHFFFAOYSA-N 0 1 484.576 2.031 50 0 JEAAMN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccccc3)[nH]c2=O)cc1OC ZINC000064592032 569622293 /nfs/dbraw/zinc/62/22/93/569622293.db2.gz XAIDGSMGZMCWRJ-UHFFFAOYSA-N 0 1 475.548 2.441 50 0 JEAAMN COc1ccc(S(=O)(=O)[N-]c2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCCC[C@@H]3C)c2)cc1 ZINC000065025133 569650218 /nfs/dbraw/zinc/65/02/18/569650218.db2.gz ZJSDHMOQPKSCEM-KRWDZBQOSA-N 0 1 473.599 2.315 50 0 JEAAMN COc1ccc(S(=O)(=O)[N-]c2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000065025122 569650339 /nfs/dbraw/zinc/65/03/39/569650339.db2.gz YZKWZVGZZDDJGA-UHFFFAOYSA-N 0 1 473.599 2.173 50 0 JEAAMN CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCOCC3)s2)n(C)c1C ZINC000065036119 569652983 /nfs/dbraw/zinc/65/29/83/569652983.db2.gz PQPWXKMUVCGUHN-QGZVFWFLSA-N 0 1 495.671 2.000 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(C(=O)OCC)CC2)=NC(=O)N[C@H]1c1cccc(Br)c1 ZINC000067286212 569683901 /nfs/dbraw/zinc/68/39/01/569683901.db2.gz AXQBAKZRBRDAAE-SFHVURJKSA-N 0 1 495.374 2.394 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(c3ccccn3)CC2)=NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000067286761 569684076 /nfs/dbraw/zinc/68/40/76/569684076.db2.gz RTLWCQYAEJXKFQ-XMMPIXPASA-N 0 1 495.580 2.482 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(c3ncccn3)CC2)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067287032 569684297 /nfs/dbraw/zinc/68/42/97/569684297.db2.gz BHHHBWIBQOTIQA-HXUWFJFHSA-N 0 1 468.583 2.192 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(c3ccccn3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067689584 569689693 /nfs/dbraw/zinc/68/96/93/569689693.db2.gz CSFVCFOKZPKCLQ-HSZRJFAPSA-N 0 1 481.553 2.092 50 0 JEAAMN COC(=O)C1=C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000067689596 569689776 /nfs/dbraw/zinc/68/97/76/569689776.db2.gz NBSSXUVQRXOTFG-XMMPIXPASA-N 0 1 494.548 2.023 50 0 JEAAMN Cc1ccc2nc(CNC(=O)CN3C(=O)CCc4cc(S(=O)(=O)N5CCCC5)ccc43)[nH]c2c1 ZINC000035428755 569694728 /nfs/dbraw/zinc/69/47/28/569694728.db2.gz CKNNJKNBRYGXDU-UHFFFAOYSA-N 0 1 481.578 2.251 50 0 JEAAMN O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCc1ccc(OCCOc2ccccc2)nc1 ZINC000070008844 569694746 /nfs/dbraw/zinc/69/47/46/569694746.db2.gz DKOOMQJOFYYBII-UHFFFAOYSA-N 0 1 472.501 2.427 50 0 JEAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)cc2)n1 ZINC000035597464 569705432 /nfs/dbraw/zinc/70/54/32/569705432.db2.gz ISGNZZGWVDWYOX-UHFFFAOYSA-N 0 1 491.551 2.216 50 0 JEAAMN COc1cccc([C@]2(C)NC(=O)N(NC(=O)CSc3nc(-c4ccccc4)n[nH]3)C2=O)c1 ZINC000089917222 569720420 /nfs/dbraw/zinc/72/04/20/569720420.db2.gz UBPFITULYCNKKR-NRFANRHFSA-N 0 1 452.496 2.071 50 0 JEAAMN O=C(C1CCCCC1)N1CCN(c2nc(CN3CCN(Cc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926320 569729493 /nfs/dbraw/zinc/72/94/93/569729493.db2.gz CZAHLXDVAFGTGP-UHFFFAOYSA-N 0 1 478.641 2.317 50 0 JEAAMN CS(=O)(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)c4ccccc4)cc32)CC1 ZINC000036357122 569771778 /nfs/dbraw/zinc/77/17/78/569771778.db2.gz YFYKRZYROMTCFX-HXUWFJFHSA-N 0 1 456.524 2.123 50 0 JEAAMN COC(=O)C[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1Cl)C(=O)OC ZINC000036584786 569776914 /nfs/dbraw/zinc/77/69/14/569776914.db2.gz YECWUUMZBGMGCB-DYVFJYSZSA-N 0 1 455.298 2.478 50 0 JEAAMN COC(=O)c1cc(C)sc1N1C(=O)[C@@H]2[C@@H](CN[C@@]23C(=O)Nc2ccc(Br)cc23)C1=O ZINC000101128656 569783812 /nfs/dbraw/zinc/78/38/12/569783812.db2.gz KSVQAJLAFJINBI-STYXZAMGSA-N 0 1 490.335 2.162 50 0 JEAAMN COC(=O)c1cc(C)sc1N1C(=O)[C@@H]2[C@@H](CN[C@]23C(=O)Nc2ccc(Br)cc23)C1=O ZINC000101128665 569783843 /nfs/dbraw/zinc/78/38/43/569783843.db2.gz KSVQAJLAFJINBI-FYYVMTAXSA-N 0 1 490.335 2.162 50 0 JEAAMN CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2O)C[C@H]1c1ccc2c(c1)OCO2 ZINC000101455897 569797883 /nfs/dbraw/zinc/79/78/83/569797883.db2.gz FHPQEOQJSLSXHY-SFHVURJKSA-N 0 1 462.462 2.275 50 0 JEAAMN COc1cccc(C(c2c(O)nc3n(c2=O)CCCS3)c2c(O)nc3n(c2=O)CCCS3)c1 ZINC000102501098 569813583 /nfs/dbraw/zinc/81/35/83/569813583.db2.gz NXEDKWRQBAVRCV-AWEZNQCLSA-N 0 1 486.575 2.392 50 0 JEAAMN COC(=O)[C@@H]1c2sc(=O)[nH]c2S[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 ZINC000102750752 569820834 /nfs/dbraw/zinc/82/08/34/569820834.db2.gz IVWIRFXXLFTTTL-ATZCPNFKSA-N 0 1 455.311 2.119 50 0 JEAAMN O=C(Cc1ccc(F)cc1F)N1CCc2[nH]nc(C(=O)NCc3ccc4c(c3)OCO4)c2C1 ZINC000040426841 569827935 /nfs/dbraw/zinc/82/79/35/569827935.db2.gz IMAYFBVLBMIDGO-UHFFFAOYSA-N 0 1 454.433 2.474 50 0 JEAAMN COc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1OC ZINC000104424605 569845710 /nfs/dbraw/zinc/84/57/10/569845710.db2.gz BUFMTOITERSITF-PGRDOPGGSA-N 0 1 457.575 2.203 50 0 JEAAMN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](CCC(N)=O)N[C@]23c2cc(Cl)ccc2NC3=O)c1 ZINC000230028091 570043794 /nfs/dbraw/zinc/04/37/94/570043794.db2.gz QUHJTUQGXNKLPX-PPWXJAPKSA-N 0 1 472.929 2.387 50 0 JEAAMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000245276369 570061177 /nfs/dbraw/zinc/06/11/77/570061177.db2.gz VAXNTGHUFXCEDH-DLBZAZTESA-N 0 1 465.645 2.473 50 0 JEAAMN COc1ccc([C@@H](CC(=O)NC2CCN(C(C)=O)CC2)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263588886 570172507 /nfs/dbraw/zinc/17/25/07/570172507.db2.gz ZMIBOXDTPMACEG-GOSISDBHSA-N 0 1 488.537 2.329 50 0 JEAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000003202903 194238546 /nfs/dbraw/zinc/23/85/46/194238546.db2.gz HRFHTXJEWRBUHG-UHFFFAOYSA-N 0 1 487.563 2.314 50 0 JEAAMN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000012638732 195069096 /nfs/dbraw/zinc/06/90/96/195069096.db2.gz NINQTUOSHSELTK-OXQOHEQNSA-N 0 1 462.572 2.248 50 0 JEAAMN O=S(=O)(Nc1ccccc1-c1n[nH]c(C2CC2)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012788115 195129720 /nfs/dbraw/zinc/12/97/20/195129720.db2.gz ZPQAJCLRFPOTJG-UHFFFAOYSA-N 0 1 489.579 2.171 50 0 JEAAMN CCOC(=O)C1C(COC(=O)c2c(C)cc(=O)oc2C)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000012810926 195144345 /nfs/dbraw/zinc/14/43/45/195144345.db2.gz JCEKRHUZVLGGEM-FQEVSTJZSA-N 0 1 456.451 2.293 50 0 JEAAMN COc1ccc(-c2n[nH]c(SCC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)n2)cc1 ZINC000012872192 195164179 /nfs/dbraw/zinc/16/41/79/195164179.db2.gz QYLCKEJCVNCRHC-HXUWFJFHSA-N 0 1 495.561 2.083 50 0 JEAAMN COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1F)C(=O)OC ZINC000020744422 195214802 /nfs/dbraw/zinc/21/48/02/195214802.db2.gz JHTSGPSOJNLFAS-MAUKXSAKSA-N 0 1 452.870 2.354 50 0 JEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2ccc(C)cc21 ZINC000020756655 195215974 /nfs/dbraw/zinc/21/59/74/195215974.db2.gz LIBHLBXZGHODBP-LAWREARLSA-N 0 1 472.545 2.476 50 0 biogenic JEAAMN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2c1cccc2C ZINC000020757233 195216522 /nfs/dbraw/zinc/21/65/22/195216522.db2.gz JBPZBEGLVNPEOI-KKPNIWNPSA-N 0 1 458.518 2.086 50 0 biogenic JEAAMN Cc1c2c(ccc1Cl)[C@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N([C@H](C)c4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000020758443 195217021 /nfs/dbraw/zinc/21/70/21/195217021.db2.gz KNXFSFGRVXVEOJ-WVFLDODXSA-N 0 1 480.952 2.396 50 0 biogenic JEAAMN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NCCN2CCCC2)cn3C2CC2)CC1 ZINC000057476750 195343244 /nfs/dbraw/zinc/34/32/44/195343244.db2.gz QBZZMOVAERZCES-UHFFFAOYSA-N 0 1 455.578 2.443 50 0 JEAAMN Cc1ccc(-c2noc(CN3CCN(C(=O)[C@H](C)NC(=O)c4n[nH]c5ccccc54)CC3)n2)cc1 ZINC000058280621 195375892 /nfs/dbraw/zinc/37/58/92/195375892.db2.gz 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2.419 50 0 JEAAMN CCOC(=O)N1CCC(N2CCc3c(C(=O)OC)c(OCc4ccccn4)cc(=O)n3CC2)CC1 ZINC000014995012 520926220 /nfs/dbraw/zinc/92/62/20/520926220.db2.gz HSVFHUYLGJOWEX-UHFFFAOYSA-N 0 1 484.553 2.088 50 0 JEAAMN COc1cc(=O)n2c(c1C(=O)N(C)Cc1cscn1)CCN(C(=O)c1cc(CC(C)C)[nH]n1)CC2 ZINC000012242466 522016749 /nfs/dbraw/zinc/01/67/49/522016749.db2.gz KMZOFNKZIKDEMR-UHFFFAOYSA-N 0 1 498.609 2.206 50 0 JEAAMN CC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)cnc1N1CC[NH2+]CC1 ZINC000035513925 522214844 /nfs/dbraw/zinc/21/48/44/522214844.db2.gz VMKJYXNJROLAKA-CQSZACIVSA-N 0 1 451.980 2.474 50 0 JEAAMN COCCN(CCNC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C)Cc1ccco1 ZINC000033266113 523701093 /nfs/dbraw/zinc/70/10/93/523701093.db2.gz KPDBONICYFYTHQ-UHFFFAOYSA-N 0 1 472.615 2.223 50 0 JEAAMN CN1CCN(CCNC(=O)c2ccc(C[S@@](=O)c3ccc(Br)cc3)o2)CC1 ZINC000020514802 523903387 /nfs/dbraw/zinc/90/33/87/523903387.db2.gz WINRYLHMJZJYHB-MHZLTWQESA-N 0 1 454.390 2.327 50 0 JEAAMN CN1CCN(CCNC(=O)c2ccc(OCc3nnc(C(=O)Nc4ccccc4F)s3)cc2)CC1 ZINC000033114334 523903728 /nfs/dbraw/zinc/90/37/28/523903728.db2.gz QDKARNODWMUZPO-UHFFFAOYSA-N 0 1 498.584 2.486 50 0 JEAAMN COc1ccccc1CN(CCC(=O)N1CCNCC1)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000045966557 524438295 /nfs/dbraw/zinc/43/82/95/524438295.db2.gz VYZUYOLBCZWHSR-UHFFFAOYSA-N 0 1 471.554 2.185 50 0 JEAAMN C[C@@H]1CN(CCCNC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@H](C)O1 ZINC000048353977 524946247 /nfs/dbraw/zinc/94/62/47/524946247.db2.gz KDKUKWWJEXMPEV-QZTJIDSGSA-N 0 1 457.541 2.228 50 0 JEAAMN O=C(CN1CCOC1=O)N1CCOc2ccc(CN3CCC[C@@H](C(=O)c4cccnc4)C3)cc2C1 ZINC000012245661 526787517 /nfs/dbraw/zinc/78/75/17/526787517.db2.gz MMKRTDQJXXYUPN-OAQYLSRUSA-N 0 1 478.549 2.350 50 0 JEAAMN O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H](NCc3cnn(-c4cccc(Cl)c4)c3)C[C@@H]12 ZINC000014745567 527082390 /nfs/dbraw/zinc/08/23/90/527082390.db2.gz LHSBLULJLNKORF-NYVOZVTQSA-N 0 1 465.941 2.032 50 0 JEAAMN Cn1c2ccccc2nc(N2CCC(C(=O)NCCCN3CCN(c4ccccc4)CC3)CC2)c1=O ZINC000035481351 527113446 /nfs/dbraw/zinc/11/34/46/527113446.db2.gz BQHGJIYCJYSVTA-UHFFFAOYSA-N 0 1 488.636 2.478 50 0 JEAAMN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)N2CCOCC2)cc1OC ZINC000102827820 536916559 /nfs/dbraw/zinc/91/65/59/536916559.db2.gz QBBUPYAEFDPMTO-IBGZPJMESA-N 0 1 484.578 2.043 50 0 JEAAMN COc1ccc(-c2nnnn2C)cc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000000972700 553888048 /nfs/dbraw/zinc/88/80/48/553888048.db2.gz LFIDXYAOAFYBKZ-UHFFFAOYSA-N 0 1 471.280 2.291 50 0 JEAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1 ZINC000002486886 554226728 /nfs/dbraw/zinc/22/67/28/554226728.db2.gz NQVSCAVSZCTGMQ-JOCHJYFZSA-N 0 1 483.406 2.114 50 0 JEAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000002630255 554252588 /nfs/dbraw/zinc/25/25/88/554252588.db2.gz WVCCQUXGOXUTCD-UHFFFAOYSA-N 0 1 465.582 2.285 50 0 JEAAMN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 ZINC000002661331 554274789 /nfs/dbraw/zinc/27/47/89/554274789.db2.gz HSGAMLGWKRTQLT-UHFFFAOYSA-N 0 1 495.970 2.433 50 0 JEAAMN Nc1nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]c(=O)c1NC(=O)c1cccs1 ZINC000002712420 554297648 /nfs/dbraw/zinc/29/76/48/554297648.db2.gz GPLUJPCVZYEIMQ-UHFFFAOYSA-N 0 1 470.580 2.107 50 0 JEAAMN CCOC(=O)c1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[nH]2)cc1 ZINC000002712532 554298027 /nfs/dbraw/zinc/29/80/27/554298027.db2.gz RQXZAEINKUUJRX-UHFFFAOYSA-N 0 1 457.468 2.105 50 0 JEAAMN COc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(OC)c(OC)c3)c(=O)[nH]2)c1 ZINC000002712616 554298105 /nfs/dbraw/zinc/29/81/05/554298105.db2.gz QDQLHNYUMOIEAZ-UHFFFAOYSA-N 0 1 485.522 2.361 50 0 JEAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)NNC(=S)NC2CCCCC2)cc1 ZINC000002851404 554379630 /nfs/dbraw/zinc/37/96/30/554379630.db2.gz AHWAEIITHVDOPQ-UHFFFAOYSA-N 0 1 465.630 2.276 50 0 JEAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000009173463 554954720 /nfs/dbraw/zinc/95/47/20/554954720.db2.gz MKHAUDRZFGKVRS-HXUWFJFHSA-N 0 1 489.594 2.405 50 0 JEAAMN COc1ccc(NC(=O)CSc2nc(-c3cccs3)n[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000009515676 555306879 /nfs/dbraw/zinc/30/68/79/555306879.db2.gz SMRPFBBPRLQGPY-UHFFFAOYSA-N 0 1 495.608 2.294 50 0 JEAAMN COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCN(c4ccccc4)CC3)[nH]c2=O)cc1 ZINC000009518109 555312315 /nfs/dbraw/zinc/31/23/15/555312315.db2.gz AKGLVBSBSDGAPW-UHFFFAOYSA-N 0 1 494.577 2.054 50 0 JEAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCOCC2)O3)c1 ZINC000009683954 555412718 /nfs/dbraw/zinc/41/27/18/555412718.db2.gz LHSYXQFFDMUUEC-QFIPXVFZSA-N 0 1 492.550 2.283 50 0 JEAAMN CCOC(=O)C1C(COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)=NC(=O)N[C@H]1c1ccccc1 ZINC000009781823 555502494 /nfs/dbraw/zinc/50/24/94/555502494.db2.gz NRRHXBFLMWWBQN-CVDCTZTESA-N 0 1 477.517 2.450 50 0 JEAAMN COc1ccc(CN2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)cc1OC ZINC000019836180 555507236 /nfs/dbraw/zinc/50/72/36/555507236.db2.gz OGKCCTPISXDECG-UHFFFAOYSA-N 0 1 451.527 2.049 50 0 JEAAMN O=C1NCCC[C@@H]2c3c(cc(Br)c(O)c3Br)O[C@@]12N1CCOCC1 ZINC000019858017 555519267 /nfs/dbraw/zinc/51/92/67/555519267.db2.gz BGQRLZNCFLCUPZ-JDNHERCYSA-N 0 1 462.138 2.332 50 0 JEAAMN COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019925404 555540863 /nfs/dbraw/zinc/54/08/63/555540863.db2.gz CMRUOZXCCZSNSU-ZJSXRUAMSA-N 0 1 497.617 2.010 50 0 JEAAMN COc1ccc(NS(=O)(=O)c2cc(N3C(=O)[C@H](C)CS3(=O)=O)ccc2OC)cc1Cl ZINC000013686597 555580287 /nfs/dbraw/zinc/58/02/87/555580287.db2.gz QEARPSODVINUBW-LLVKDONJSA-N 0 1 474.944 2.471 50 0 JEAAMN COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 ZINC000013692112 555586732 /nfs/dbraw/zinc/58/67/32/555586732.db2.gz YGMCNZAJPOHBJJ-UHFFFAOYSA-N 0 1 466.537 2.401 50 0 JEAAMN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(Cc3ccccc3)CC2)=[NH+][C@H]1c1ccc(OC)cc1OC ZINC000020028214 555603366 /nfs/dbraw/zinc/60/33/66/555603366.db2.gz JTGNZFJBQWSUGK-PKTZIBPZSA-N 0 1 480.565 2.228 50 0 JEAAMN CN(C)CCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1nc2cc3c(cc2s1)OCCO3 ZINC000010066004 555614089 /nfs/dbraw/zinc/61/40/89/555614089.db2.gz ISUFMOVAYXSALY-UHFFFAOYSA-N 0 1 466.519 2.258 50 0 JEAAMN O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000020102580 555634831 /nfs/dbraw/zinc/63/48/31/555634831.db2.gz HNOPWMMFJICKOU-UHFFFAOYSA-N 0 1 452.580 2.380 50 0 JEAAMN Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000010233907 555658832 /nfs/dbraw/zinc/65/88/32/555658832.db2.gz YKYYPUDASFYTPQ-UHFFFAOYSA-N 0 1 469.977 2.077 50 0 JEAAMN COc1ccc(CCN(C)[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC ZINC000014246863 555750246 /nfs/dbraw/zinc/75/02/46/555750246.db2.gz IUIMIRDAIVMENL-IBGZPJMESA-N 0 1 475.611 2.100 50 0 JEAAMN Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)n[nH]2)cc1 ZINC000014344399 555795300 /nfs/dbraw/zinc/79/53/00/555795300.db2.gz FSEVSFXEWVUDBV-UHFFFAOYSA-N 0 1 468.535 2.303 50 0 JEAAMN COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cccc(O)c3)CC2)C1=O ZINC000014537141 555826421 /nfs/dbraw/zinc/82/64/21/555826421.db2.gz LTDNXAKSHWYTHI-UHFFFAOYSA-N 0 1 451.523 2.407 50 0 JEAAMN Cc1csc(-c2cc(C(=O)NCCc3nc(C)n[nH]3)cc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000014539248 555828966 /nfs/dbraw/zinc/82/89/66/555828966.db2.gz DRFZSSCTARNODI-UHFFFAOYSA-N 0 1 475.596 2.143 50 0 JEAAMN O=C(CCCCCn1c(=S)[n-]c2cc3c(cc2c1=O)OCO3)NCCC[NH+]1CCOCC1 ZINC000020644395 555846078 /nfs/dbraw/zinc/84/60/78/555846078.db2.gz RDSWVERNYVXGGK-UHFFFAOYSA-N 0 1 462.572 2.187 50 0 JEAAMN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)c1ccc(OC)cc1 ZINC000011997595 555879452 /nfs/dbraw/zinc/87/94/52/555879452.db2.gz IUQMHFRBCAWYQE-NRFANRHFSA-N 0 1 495.623 2.123 50 0 JEAAMN CC(=O)Nc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccccc3)c(=O)[nH]2)cc1 ZINC000012033045 555887651 /nfs/dbraw/zinc/88/76/51/555887651.db2.gz UGNYGHJFKXBWTE-UHFFFAOYSA-N 0 1 452.496 2.294 50 0 JEAAMN CN1CCc2nc3sc(SCC(=O)N4CCN(c5cccc(Cl)c5)CC4)nn3c(=O)c2C1 ZINC000015414361 555906214 /nfs/dbraw/zinc/90/62/14/555906214.db2.gz ABHOAVHOXLZPIA-UHFFFAOYSA-N 0 1 491.042 2.233 50 0 JEAAMN COc1ccc(-c2cc(C(=O)N3CCc4ccccc43)[nH]n2)cc1S(=O)(=O)N1CCOCC1 ZINC000015860851 556032901 /nfs/dbraw/zinc/03/29/01/556032901.db2.gz OUIQKDVZSGONCM-UHFFFAOYSA-N 0 1 468.535 2.309 50 0 JEAAMN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000023249004 556034941 /nfs/dbraw/zinc/03/49/41/556034941.db2.gz PYGVZOPSDPQXLA-CVDCTZTESA-N 0 1 474.627 2.363 50 0 JEAAMN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCSC)N[C@@]32c3ccccc3NC2=O)cc1 ZINC000015957495 556089041 /nfs/dbraw/zinc/08/90/41/556089041.db2.gz LMEDERUBZMRBBY-VKDGWMQASA-N 0 1 451.548 2.369 50 0 biogenic JEAAMN NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000016012946 556111727 /nfs/dbraw/zinc/11/17/27/556111727.db2.gz OLWPECOOXQOAQE-XITLKHQFSA-N 0 1 487.343 2.180 50 0 JEAAMN O=C1Nc2ccccc2[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000016026214 556116347 /nfs/dbraw/zinc/11/63/47/556116347.db2.gz MEFZBYYTEFJSPO-UQBRPQJYSA-N 0 1 470.529 2.310 50 0 biogenic JEAAMN COc1ccc(OC)c(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c1 ZINC000017012673 556202724 /nfs/dbraw/zinc/20/27/24/556202724.db2.gz ZYQVOZNODSZYMQ-UHFFFAOYSA-N 0 1 461.588 2.303 50 0 JEAAMN CNC(=S)N1NC(=C2C(=O)NC(=O)N(CCCOC)C2=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000017028870 556207616 /nfs/dbraw/zinc/20/76/16/556207616.db2.gz CMJWRLSTOSEYDZ-JNINTMOKSA-N 0 1 451.936 2.305 50 0 JEAAMN COCCNS(=O)(=O)c1cc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)ccc1OC ZINC000025383438 556210846 /nfs/dbraw/zinc/21/08/46/556210846.db2.gz LBTUQKXNNOIDBD-KRWDZBQOSA-N 0 1 467.613 2.248 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(c3ccccn3)CC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000018709331 556323765 /nfs/dbraw/zinc/32/37/65/556323765.db2.gz NFYHRMZJYMOKEO-QFIPXVFZSA-N 0 1 451.527 2.084 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(c3ccccn3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000018709330 556323854 /nfs/dbraw/zinc/32/38/54/556323854.db2.gz 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CCn1cc(C(=O)NCCN(C)C)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21 ZINC000008441433 569590401 /nfs/dbraw/zinc/59/04/01/569590401.db2.gz GKOIJOHWOVQTBZ-UHFFFAOYSA-N 0 1 483.544 2.007 50 0 JEAAMN COc1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)c(OC)c1 ZINC000008708914 569595220 /nfs/dbraw/zinc/59/52/20/569595220.db2.gz NRGITTWLDBQYLW-UHFFFAOYSA-N 0 1 480.569 2.259 50 0 JEAAMN COC(=O)C1C(CN2CCN(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057414476 569599813 /nfs/dbraw/zinc/59/98/13/569599813.db2.gz ZPWLDKHYBKXZTH-HSZRJFAPSA-N 0 1 466.538 2.307 50 0 JEAAMN CCOc1ccccc1[C@H]1NC(=O)N=C(CN2CCN(c3ccccn3)CC2)C1C(=O)OC ZINC000057415770 569601118 /nfs/dbraw/zinc/60/11/18/569601118.db2.gz UFEWXYYQMRKDHG-JOCHJYFZSA-N 0 1 451.527 2.084 50 0 JEAAMN Cn1c2ccccc2nc(SCC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000033006641 569614884 /nfs/dbraw/zinc/61/48/84/569614884.db2.gz ZBYRFEWEXKJFQL-UHFFFAOYSA-N 0 1 469.586 2.493 50 0 JEAAMN O=C(C[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000063708011 569615896 /nfs/dbraw/zinc/61/58/96/569615896.db2.gz GRJFYRVNIHVTAT-HXUWFJFHSA-N 0 1 497.024 2.336 50 0 JEAAMN COc1cc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000033291472 569622280 /nfs/dbraw/zinc/62/22/80/569622280.db2.gz BURZANHVOMPEDF-DEDYPNTBSA-N 0 1 465.506 2.011 50 0 JEAAMN Cn1ncc2c3ccccc3n(CC(=O)NCCCN3CCN(c4ccccc4)CC3)c2c1=O ZINC000064839340 569637327 /nfs/dbraw/zinc/63/73/27/569637327.db2.gz NJECSBGLNTVBOZ-UHFFFAOYSA-N 0 1 458.566 2.217 50 0 JEAAMN CCC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4CC)CC3)co2)CC1 ZINC000034677788 569642164 /nfs/dbraw/zinc/64/21/64/569642164.db2.gz UOOZYCCBXQAUOE-QFIPXVFZSA-N 0 1 469.630 2.478 50 0 JEAAMN CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)co2)CC1 ZINC000034677701 569642168 /nfs/dbraw/zinc/64/21/68/569642168.db2.gz NYTGGCXCTKXBQY-OAQYLSRUSA-N 0 1 459.566 2.055 50 0 JEAAMN CCCC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4)CC3)co2)CC1 ZINC000034677736 569642175 /nfs/dbraw/zinc/64/21/75/569642175.db2.gz SXSZJZHBDOEBPG-QFIPXVFZSA-N 0 1 455.603 2.306 50 0 JEAAMN CCCc1ccc(S(=O)(=O)[N-]c2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCCC3)c2)cc1 ZINC000065025296 569650724 /nfs/dbraw/zinc/65/07/24/569650724.db2.gz WONWHINJWZPWSJ-UHFFFAOYSA-N 0 1 457.600 2.481 50 0 JEAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccnc3)c(C)n2C)sc1C(=O)N1CCOCC1 ZINC000065036045 569652897 /nfs/dbraw/zinc/65/28/97/569652897.db2.gz VJBJRFRPTVWHLZ-UHFFFAOYSA-N 0 1 461.569 2.434 50 0 JEAAMN COc1cc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCOCC4)n3)sc2C)cc(OC)c1 ZINC000065097705 569661470 /nfs/dbraw/zinc/66/14/70/569661470.db2.gz LCYPGXXCOZZTOX-UHFFFAOYSA-N 0 1 494.551 2.397 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(c3ncccn3)CC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205186 569677768 /nfs/dbraw/zinc/67/77/68/569677768.db2.gz PPIYKFLOJHIHGV-LJQANCHMSA-N 0 1 456.934 2.123 50 0 JEAAMN CCOC(=O)C1CCN(CC2=NC(=O)N[C@H](c3ccc(OC)c(OC)c3)C2C(=O)OCC)CC1 ZINC000067285869 569683571 /nfs/dbraw/zinc/68/35/71/569683571.db2.gz XFEJZSXEYGPZLO-OAQYLSRUSA-N 0 1 475.542 2.150 50 0 JEAAMN Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 ZINC000067620581 569688701 /nfs/dbraw/zinc/68/87/01/569688701.db2.gz KMKSMAURDAWSNE-UHFFFAOYSA-N 0 1 459.572 2.057 50 0 JEAAMN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCOCC1 ZINC000035399102 569689576 /nfs/dbraw/zinc/68/95/76/569689576.db2.gz MKIDCNBDRSSVPB-UHFFFAOYSA-N 0 1 487.578 2.414 50 0 JEAAMN COC(=O)C1C(CN2CCN(c3ccccc3F)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067689569 569689588 /nfs/dbraw/zinc/68/95/88/569689588.db2.gz DFPBKZMJQNTVCA-QHCPKHFHSA-N 0 1 484.528 2.446 50 0 JEAAMN COC(=O)C1C(CN2CCN(c3ccc(F)cc3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067689570 569689617 /nfs/dbraw/zinc/68/96/17/569689617.db2.gz PITOGEKNUMGKQB-HSZRJFAPSA-N 0 1 484.528 2.446 50 0 JEAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1C)CC(=O)N2 ZINC000072403237 569703798 /nfs/dbraw/zinc/70/37/98/569703798.db2.gz IQAVIAUJQDZXTH-KBPBESRZSA-N 0 1 481.542 2.144 50 0 JEAAMN NC(=O)[C@@H]1CC(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)=NN1c1ccccc1 ZINC000078698664 569706340 /nfs/dbraw/zinc/70/63/40/569706340.db2.gz UFNXKINOEOOXGH-DEOSSOPVSA-N 0 1 483.576 2.463 50 0 JEAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCOCC1 ZINC000095841973 569729124 /nfs/dbraw/zinc/72/91/24/569729124.db2.gz ICQSLJPOGKILFU-UHFFFAOYSA-N 0 1 491.591 2.430 50 0 JEAAMN O=C(c1ccco1)N1CCCN(c2nc(CN3CCN(Cc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926353 569729599 /nfs/dbraw/zinc/72/95/99/569729599.db2.gz MVWMSTFMRNVFDF-UHFFFAOYSA-N 0 1 476.581 2.033 50 0 JEAAMN CCN(CC)S(=O)(=O)N1CCC(C2CCN([C@@H]3CC(=O)N(c4ccccc4)C3=O)CC2)CC1 ZINC000100238027 569756082 /nfs/dbraw/zinc/75/60/82/569756082.db2.gz BOLRKEWEHRDKBX-JOCHJYFZSA-N 0 1 476.643 2.329 50 0 JEAAMN COC(=O)[C@@H]1c2sc(=O)[nH]c2S[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 ZINC000101025437 569779810 /nfs/dbraw/zinc/77/98/10/569779810.db2.gz IVWIRFXXLFTTTL-WCABBAIRSA-N 0 1 455.311 2.119 50 0 JEAAMN COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccccc4C)c3O)=NN2C(C)=O)c(OC)c1 ZINC000101456410 569798087 /nfs/dbraw/zinc/79/80/87/569798087.db2.gz VMOLLKLJEUQYLH-LJQANCHMSA-N 0 1 464.478 2.255 50 0 JEAAMN CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3ccccc3OC)c2O)C[C@H]1c1ccc(OC)cc1OC ZINC000101765379 569804509 /nfs/dbraw/zinc/80/45/09/569804509.db2.gz STXPPRVCYRCNCD-SFHVURJKSA-N 0 1 494.504 2.345 50 0 JEAAMN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccnc(N4CCN(C)CC4)c3)CC2)cc1C ZINC000040118604 569816432 /nfs/dbraw/zinc/81/64/32/569816432.db2.gz WPVGPRSBCDVMMG-UHFFFAOYSA-N 0 1 485.654 2.167 50 0 JEAAMN CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@@H](CC)O4)C2)CC1 ZINC000169683947 569871207 /nfs/dbraw/zinc/87/12/07/569871207.db2.gz COBFPKNERPQGHK-UYAOXDASSA-N 0 1 492.642 2.059 50 0 JEAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@H]12 ZINC000248005819 570072583 /nfs/dbraw/zinc/07/25/83/570072583.db2.gz SXLZIZRXZLWQEQ-RTMBZQFPSA-N 0 1 481.936 2.188 50 0 JEAAMN COC(=O)c1c(OC[C@@H]2CCCCO2)cc(=O)n2c1CCN(C(=O)c1[nH]nc3ccc(C)cc31)CC2 ZINC000299756293 570174124 /nfs/dbraw/zinc/17/41/24/570174124.db2.gz FZUAANGGQOBGCM-KRWDZBQOSA-N 0 1 494.548 2.466 50 0 JEAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2)n1 ZINC000001748768 194133757 /nfs/dbraw/zinc/13/37/57/194133757.db2.gz DTODJLHXHUSAFN-UHFFFAOYSA-N 0 1 475.552 2.088 50 0 JEAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000009245022 194630288 /nfs/dbraw/zinc/63/02/88/194630288.db2.gz OUXYAYDZHFVHCW-KRWDZBQOSA-N 0 1 451.508 2.265 50 0 JEAAMN C[C@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012768992 195116191 /nfs/dbraw/zinc/11/61/91/195116191.db2.gz ALUZPYISFSXPHM-KRWDZBQOSA-N 0 1 459.568 2.384 50 0 JEAAMN Cn1cccc1[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012795103 195135341 /nfs/dbraw/zinc/13/53/41/195135341.db2.gz VNDUOFHUJOIFCZ-QHCPKHFHSA-N 0 1 456.612 2.184 50 0 JEAAMN COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000012868517 195162455 /nfs/dbraw/zinc/16/24/55/195162455.db2.gz PUEPEDGZSJJHQW-QFIPXVFZSA-N 0 1 461.584 2.187 50 0 JEAAMN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000012887088 195171024 /nfs/dbraw/zinc/17/10/24/195171024.db2.gz VKYRPVHFSWQZTP-NAZDKBRTSA-N 0 1 478.936 2.431 50 0 biogenic JEAAMN CCN1CCC[C@@H]1CNC(=O)[C@@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(C)C ZINC000012891773 195173202 /nfs/dbraw/zinc/17/32/02/195173202.db2.gz BOWHEKQBQVVVER-ZHRRBRCNSA-N 0 1 470.570 2.105 50 0 biogenic JEAAMN CC[C@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NC[C@H]1CCCN1CC ZINC000012891653 195173379 /nfs/dbraw/zinc/17/33/79/195173379.db2.gz XLTBXLQAKGJNBH-MFEFFIJZSA-N 0 1 484.597 2.495 50 0 biogenic JEAAMN Cc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCN4CCOCC4)c(=O)c3c2)cc1C ZINC000020677445 195202356 /nfs/dbraw/zinc/20/23/56/195202356.db2.gz UCCLXMBCKVPQFC-UHFFFAOYSA-N 0 1 498.605 2.032 50 0 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0 JEAAMN Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(N)=O)N[C@]32c3ccc(Cl)c(C)c3NC2=O)c1 ZINC000013815156 555629057 /nfs/dbraw/zinc/62/90/57/555629057.db2.gz ODVQLXGKARNUNG-NARGUJOISA-N 0 1 466.925 2.147 50 0 JEAAMN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(NC(C)=O)cc2)CC3)cc1 ZINC000020118865 555655152 /nfs/dbraw/zinc/65/51/52/555655152.db2.gz BJXXYPLTBKCSHM-UHFFFAOYSA-N 0 1 462.554 2.276 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(c3ncccn3)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214158 555709068 /nfs/dbraw/zinc/70/90/68/555709068.db2.gz LJAXNDZNVDRWGI-IBGZPJMESA-N 0 1 456.934 2.123 50 0 JEAAMN CCOC(=O)C1C(COC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)=NC(=O)N[C@H]1c1ccccc1 ZINC000014227712 555735386 /nfs/dbraw/zinc/73/53/86/555735386.db2.gz WGLMZOIYVZHXFF-XOBRGWDASA-N 0 1 477.473 2.086 50 0 JEAAMN COc1ccc(-c2nc(CN3CCC(C(=O)NCCN4CCOCC4)CC3)c(C)o2)cc1OC ZINC000020240703 555736166 /nfs/dbraw/zinc/73/61/66/555736166.db2.gz PLXMIBMZDDXOIH-UHFFFAOYSA-N 0 1 472.586 2.328 50 0 JEAAMN CCOC(=O)C1C(COC(=O)c2cccc(S(C)(=O)=O)c2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000010813925 555741869 /nfs/dbraw/zinc/74/18/69/555741869.db2.gz QVTMDQPUGIHLIY-LJQANCHMSA-N 0 1 458.492 2.118 50 0 JEAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCCN4CCOCC4)c3=O)c2c1 ZINC000020331439 555776584 /nfs/dbraw/zinc/77/65/84/555776584.db2.gz IUCDUSXRODXESO-UHFFFAOYSA-N 0 1 459.572 2.168 50 0 JEAAMN Cn1c2nc(CN3CCN(Cc4ccccc4)CC3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O ZINC000020533180 555804444 /nfs/dbraw/zinc/80/44/44/555804444.db2.gz DFBXFDKCDLZWSU-UHFFFAOYSA-N 0 1 486.620 2.384 50 0 JEAAMN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000014519768 555816218 /nfs/dbraw/zinc/81/62/18/555816218.db2.gz SVKOVMZWDLKEPY-NRFANRHFSA-N 0 1 457.600 2.324 50 0 JEAAMN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccc(OC)c(O)c1)CC2 ZINC000014536165 555825306 /nfs/dbraw/zinc/82/53/06/555825306.db2.gz GEMQPQIRWSGYDT-UHFFFAOYSA-N 0 1 454.527 2.241 50 0 JEAAMN Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)N2CCCC2)cc1 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/nfs/dbraw/zinc/90/47/59/555904759.db2.gz MQDJHQFBPSEPIK-OAQYLSRUSA-N 0 1 454.619 2.451 50 0 JEAAMN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cc(OC)ccc2OC)CC3)cc1 ZINC000012207457 555942291 /nfs/dbraw/zinc/94/22/91/555942291.db2.gz RBUJWCZDYLSDRT-UHFFFAOYSA-N 0 1 465.554 2.335 50 0 JEAAMN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)cc1OC ZINC000015680575 555948711 /nfs/dbraw/zinc/94/87/11/555948711.db2.gz OZLAQQIXNNHTAX-UHFFFAOYSA-N 0 1 462.553 2.302 50 0 JEAAMN Cc1cc2n(n1)CCC(=O)N2[C@@H](C)C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000015728594 555968744 /nfs/dbraw/zinc/96/87/44/555968744.db2.gz MGHVIMIGXIREFI-SFHVURJKSA-N 0 1 458.994 2.299 50 0 JEAAMN COc1cc(COC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC ZINC000022915499 555969826 /nfs/dbraw/zinc/96/98/26/555969826.db2.gz MWKONKYKMAZZIA-FQEVSTJZSA-N 0 1 474.554 2.136 50 0 JEAAMN CCOC(=O)C1=C(COC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@H]1C ZINC000012532562 556003268 /nfs/dbraw/zinc/00/32/68/556003268.db2.gz WMMFTTAWQUSHOT-ZDUSSCGKSA-N 0 1 491.497 2.302 50 0 JEAAMN COc1ccc(OC)c(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c1 ZINC000023144906 556022975 /nfs/dbraw/zinc/02/29/75/556022975.db2.gz RKTWAWKVPOIWDV-UHFFFAOYSA-N 0 1 465.554 2.091 50 0 JEAAMN CCOC(=O)C1=C(CN2CCN(Cc3nc(C(C)C)no3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000023186084 556029500 /nfs/dbraw/zinc/02/95/00/556029500.db2.gz ASBPXDFTZPPBMC-OAQYLSRUSA-N 0 1 468.558 2.182 50 0 JEAAMN CC(C)(C)NC(=O)CN1CCCN(CC(=O)N2CCN(Cc3cccc4ccccc43)CC2)CC1 ZINC000023247976 556034065 /nfs/dbraw/zinc/03/40/65/556034065.db2.gz VHXYXPGYMQXKTH-UHFFFAOYSA-N 0 1 479.669 2.406 50 0 JEAAMN COc1ccc(OC)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(C)c2)c1 ZINC000015862703 556035932 /nfs/dbraw/zinc/03/59/32/556035932.db2.gz XMQZVJISSGMWHI-UHFFFAOYSA-N 0 1 461.584 2.025 50 0 JEAAMN CCN1CCN(c2ccc(N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)nn2)CC1 ZINC000015882345 556056113 /nfs/dbraw/zinc/05/61/13/556056113.db2.gz WSVPHEREUMPFDC-UHFFFAOYSA-N 0 1 458.632 2.055 50 0 JEAAMN 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CC(C)Oc1ccccc1NS(=O)(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000031772982 556403401 /nfs/dbraw/zinc/40/34/01/556403401.db2.gz HDKZFOCTSXMVJN-KRWDZBQOSA-N 0 1 473.594 2.235 50 0 JEAAMN COC(=O)C[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1Cl)C(=O)OC ZINC000031808495 556405598 /nfs/dbraw/zinc/40/55/98/556405598.db2.gz HTZWRPJBXAZPOU-WMLDXEAASA-N 0 1 455.298 2.478 50 0 JEAAMN CC(C)CN1CCO[C@@H](CNC(=O)[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)C1 ZINC000032268063 556433917 /nfs/dbraw/zinc/43/39/17/556433917.db2.gz WDIPWTFMZXWCTK-HKUYNNGSSA-N 0 1 490.464 2.225 50 0 JEAAMN CCOc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCC(OC)OC)c(=O)c3c2)cc1 ZINC000006296662 562937228 /nfs/dbraw/zinc/93/72/28/562937228.db2.gz AOVMBIKYJVVRNT-UHFFFAOYSA-N 0 1 489.550 2.101 50 0 JEAAMN COc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)n1 ZINC000056901027 569592362 /nfs/dbraw/zinc/59/23/62/569592362.db2.gz WLWHKTWAMWEVPN-UHFFFAOYSA-N 0 1 492.517 2.148 50 0 JEAAMN Cc1ccccc1CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)CC1 ZINC000056952699 569593489 /nfs/dbraw/zinc/59/34/89/569593489.db2.gz JRYZJGSAYJJFAC-UHFFFAOYSA-N 0 1 462.529 2.241 50 0 JEAAMN COc1cccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)c1 ZINC000008708376 569595029 /nfs/dbraw/zinc/59/50/29/569595029.db2.gz WWMYDSCBBXPYBM-UHFFFAOYSA-N 0 1 450.543 2.250 50 0 JEAAMN CCOC(=O)C1C(COC(=O)[C@H]2Cc3ccccc3C(=O)O2)=NC(=O)N[C@H]1c1ccccc1 ZINC000008723933 569599472 /nfs/dbraw/zinc/59/94/72/569599472.db2.gz ISLMYPGEESZCIU-QUCCMNQESA-N 0 1 450.447 2.183 50 0 JEAAMN COC(=O)C1=C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000057414226 569599709 /nfs/dbraw/zinc/59/97/09/569599709.db2.gz SYTDQNSDNBHDBG-QHCPKHFHSA-N 0 1 464.522 2.014 50 0 JEAAMN COC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057414470 569599731 /nfs/dbraw/zinc/59/97/31/569599731.db2.gz XGAGSOKMVYOHSM-XMMPIXPASA-N 0 1 480.565 2.303 50 0 JEAAMN 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ZINC000064592018 569622330 /nfs/dbraw/zinc/62/23/30/569622330.db2.gz MWNGLOIUZLPOBU-UHFFFAOYSA-N 0 1 475.548 2.441 50 0 JEAAMN CCCC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCC[C@H](C(=O)N(CC)CC)C3)co2)CC1 ZINC000034677692 569641939 /nfs/dbraw/zinc/64/19/39/569641939.db2.gz RUNVNSDKQHGGIG-SFTDATJTSA-N 0 1 477.650 2.064 50 0 JEAAMN Cc1cccc(C)c1N1CCN(C(=O)c2coc(CN3CCN(C[C@H](O)C(C)C)CC3)n2)CC1 ZINC000034677768 569642144 /nfs/dbraw/zinc/64/21/44/569642144.db2.gz BEZYTBIKPVUAMM-QHCPKHFHSA-N 0 1 469.630 2.388 50 0 JEAAMN CCc1ccccc1N1CCN(C(=O)c2coc(CN3CCN(C[C@H](O)CC)CC3)n2)CC1 ZINC000034677794 569642187 /nfs/dbraw/zinc/64/21/87/569642187.db2.gz COOARQZBWDPRBQ-OAQYLSRUSA-N 0 1 455.603 2.088 50 0 JEAAMN Cn1c2nc(N3CCN(Cc4ccccc4)CC3)n(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000066407677 569677182 /nfs/dbraw/zinc/67/71/82/569677182.db2.gz OFGYIDHKXBPVSC-UHFFFAOYSA-N 0 1 478.984 2.458 50 0 biogenic JEAAMN COC(=O)C1C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204829 569677499 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XVJIUHJRAFXGJA-KRWDZBQOSA-N 0 1 455.544 2.101 50 0 JEAAMN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000012612604 195054426 /nfs/dbraw/zinc/05/44/26/195054426.db2.gz JDLFMDMMCZTKCY-OAQYLSRUSA-N 0 1 459.616 2.474 50 0 JEAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 ZINC000012631357 195063475 /nfs/dbraw/zinc/06/34/75/195063475.db2.gz JHYVVWKWGIBUNE-UHFFFAOYSA-N 0 1 463.512 2.277 50 0 JEAAMN CCN1CCC[C@H]1CNC(=O)[C@@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(C)C ZINC000012891783 195173211 /nfs/dbraw/zinc/17/32/11/195173211.db2.gz BOWHEKQBQVVVER-AOMKIAJQSA-N 0 1 470.570 2.105 50 0 biogenic JEAAMN CC[C@@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NC[C@@H]1CCCN1CC ZINC000012891634 195173392 /nfs/dbraw/zinc/17/33/92/195173392.db2.gz XLTBXLQAKGJNBH-DGGJZMOXSA-N 0 1 484.597 2.495 50 0 biogenic JEAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N([C@H](C)c4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000020758439 195216848 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/nfs/dbraw/zinc/68/41/82/569684182.db2.gz IUFBYQVZUNQGOH-OAQYLSRUSA-N 0 1 475.542 2.104 50 0 JEAAMN COC(=O)C1C(CN2CCN(C(=O)OC(C)(C)C)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067689573 569689668 /nfs/dbraw/zinc/68/96/68/569689668.db2.gz FYMIPOIIGGNBKZ-HXUWFJFHSA-N 0 1 490.557 2.038 50 0 JEAAMN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000100778103 569769695 /nfs/dbraw/zinc/76/96/95/569769695.db2.gz VKYRPVHFSWQZTP-UGCAPWQASA-N 0 1 478.936 2.431 50 0 biogenic JEAAMN COc1cc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccccc4C)c3O)=NN2)cc(OC)c1OC ZINC000101762913 569803620 /nfs/dbraw/zinc/80/36/20/569803620.db2.gz KRSGPFUXKOMZIV-AWEZNQCLSA-N 0 1 452.467 2.004 50 0 JEAAMN COc1cccc(C(c2c(O)nc3n(c2=O)CCCS3)c2c(O)nc3n(c2=O)CCCS3)c1 ZINC000102501102 569813565 /nfs/dbraw/zinc/81/35/65/569813565.db2.gz NXEDKWRQBAVRCV-CQSZACIVSA-N 0 1 486.575 2.392 50 0 JEAAMN CCOC(=O)C1C(COC(=O)Cc2csc(N3CCCC3=O)n2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000045631902 569839943 /nfs/dbraw/zinc/83/99/43/569839943.db2.gz MTDGLAZNHVUJON-HXUWFJFHSA-N 0 1 484.534 2.227 50 0 JEAAMN CCOC(=O)C1=C(CN2CC(=O)N(CCc3ccccc3)C(=O)C2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318517 569851678 /nfs/dbraw/zinc/85/16/78/569851678.db2.gz LYVOWMOESZXHPT-VWLOTQADSA-N 0 1 490.560 2.080 50 0 JEAAMN CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1OC ZINC000106411525 569854197 /nfs/dbraw/zinc/85/41/97/569854197.db2.gz WBHGHYGJWCJULG-QYZOEREBSA-N 0 1 463.600 2.133 50 0 JEAAMN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](CCC(N)=O)N[C@]23c2cc(Cl)ccc2NC3=O)c1 ZINC000230028101 570043736 /nfs/dbraw/zinc/04/37/36/570043736.db2.gz QUHJTUQGXNKLPX-AXBCGAQBSA-N 0 1 472.929 2.387 50 0 JEAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(F)cc3)C[C@H]1[C@@H](C(=O)NCCN1CCOCC1)C2 ZINC000230138080 570045920 /nfs/dbraw/zinc/04/59/20/570045920.db2.gz LSSUJETVJNYDPK-AHWVRZQESA-N 0 1 482.600 2.146 50 0 JEAAMN COc1ccc([C@H](CC(=O)NCCn2ccnc2)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263586799 570172044 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JEAAMN COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1F)C(=O)OC ZINC000020739345 195214195 /nfs/dbraw/zinc/21/41/95/195214195.db2.gz PTOCJSGJTNVROR-YJBOKZPZSA-N 0 1 497.321 2.463 50 0 JEAAMN COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1F)C(=O)OC ZINC000020739348 195214206 /nfs/dbraw/zinc/21/42/06/195214206.db2.gz PTOCJSGJTNVROR-MAUKXSAKSA-N 0 1 497.321 2.463 50 0 JEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2ccc(C)cc21 ZINC000020756666 195215890 /nfs/dbraw/zinc/21/58/90/195215890.db2.gz LIBHLBXZGHODBP-IQXSCUCBSA-N 0 1 472.545 2.476 50 0 biogenic JEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2ccc(C)cc21 ZINC000020756673 195216020 /nfs/dbraw/zinc/21/60/20/195216020.db2.gz LIBHLBXZGHODBP-NBCVKUGOSA-N 0 1 472.545 2.476 50 0 biogenic JEAAMN COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CCN(Cc1cc(C)c(C)cc1C)CC2 ZINC000020785739 195225302 /nfs/dbraw/zinc/22/53/02/195225302.db2.gz BRCGTRLMXIEGKF-UHFFFAOYSA-N 0 1 465.554 2.462 50 0 JEAAMN COc1ccccc1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000021534180 195310531 /nfs/dbraw/zinc/31/05/31/195310531.db2.gz JPCXCNDKQXVOGQ-UHFFFAOYSA-N 0 1 482.002 2.370 50 0 JEAAMN COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)N2CCOCC2)cc1OC ZINC000102827823 130317630 /nfs/dbraw/zinc/31/76/30/130317630.db2.gz QBBUPYAEFDPMTO-LJQANCHMSA-N 0 1 484.578 2.043 50 0 JEAAMN CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000014749335 519652546 /nfs/dbraw/zinc/65/25/46/519652546.db2.gz FGDFZLGDMHCJRO-UHFFFAOYSA-N 0 1 464.950 2.199 50 0 JEAAMN CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCN(C)CC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033371 519838754 /nfs/dbraw/zinc/83/87/54/519838754.db2.gz VUBBIAYUCWAGBK-UHFFFAOYSA-N 0 1 485.654 2.408 50 0 JEAAMN CCOC(=O)C1C(CN(C)Cc2ccnn2CC)=NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000022707664 520507751 /nfs/dbraw/zinc/50/77/51/520507751.db2.gz FIGHXWCUNVDMMV-QFIPXVFZSA-N 0 1 471.558 2.361 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(C(=O)OCC)CC2)=NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067287048 520513532 /nfs/dbraw/zinc/51/35/32/520513532.db2.gz XSFKETKERMMEGW-IBGZPJMESA-N 0 1 462.572 2.354 50 0 JEAAMN CCOC(=O)COc1cc(Br)c([C@@H]2NC(=S)N=C(C)C2C(=O)OC)cc1OC ZINC000013915702 520798387 /nfs/dbraw/zinc/79/83/87/520798387.db2.gz MRPMTSSQHASBPQ-INIZCTEOSA-N 0 1 473.345 2.365 50 0 JEAAMN CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)n[nH]2)cc1 ZINC000021633670 520805810 /nfs/dbraw/zinc/80/58/10/520805810.db2.gz IRNXLNSLBXLPAL-UHFFFAOYSA-N 0 1 463.542 2.064 50 0 JEAAMN CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1OC ZINC000033255782 521641619 /nfs/dbraw/zinc/64/16/19/521641619.db2.gz WBHGHYGJWCJULG-QRVBRYPASA-N 0 1 463.600 2.133 50 0 JEAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(C)o2)CC1 ZINC000012514997 521700370 /nfs/dbraw/zinc/70/03/70/521700370.db2.gz FHZRQMGVXHGRTA-UHFFFAOYSA-N 0 1 462.572 2.003 50 0 JEAAMN COC(=O)c1cc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cc(C(=O)OC)c1 ZINC000009490036 521880103 /nfs/dbraw/zinc/88/01/03/521880103.db2.gz NBMYOFCPVJCITP-UHFFFAOYSA-N 0 1 493.501 2.413 50 0 JEAAMN COC(=O)c1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1 ZINC000014960404 522017217 /nfs/dbraw/zinc/01/72/17/522017217.db2.gz FMNNFRAWUFFPKB-UHFFFAOYSA-N 0 1 451.502 2.121 50 0 JEAAMN COc1ccc(-c2cc(C(=O)N3CCSCC3)n[nH]2)cc1S(=O)(=O)N1CCCCC1 ZINC000021806468 523096313 /nfs/dbraw/zinc/09/63/13/523096313.db2.gz GKPXUIKPANGZBF-UHFFFAOYSA-N 0 1 450.586 2.449 50 0 JEAAMN COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(Cl)ccc1F)C(=O)OC ZINC000036569489 523111503 /nfs/dbraw/zinc/11/15/03/523111503.db2.gz QRHWXXIQOKSSMM-CRAIPNDOSA-N 0 1 452.870 2.354 50 0 JEAAMN CCn1c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020519426 523190937 /nfs/dbraw/zinc/19/09/37/523190937.db2.gz KFUWURBKKRLIGW-UHFFFAOYSA-N 0 1 472.593 2.361 50 0 JEAAMN CN1C(=O)c2cc(C(=O)N3CCN(C4CCCCC4)CC3)nn2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000033249933 523727916 /nfs/dbraw/zinc/72/79/16/523727916.db2.gz YDIDCOFKSCIFCT-AREMUKBSSA-N 0 1 484.645 2.267 50 0 JEAAMN CN1CCN(CCNC(=O)c2cccc(NC(=O)c3nnc(COc4ccccc4)s3)c2)CC1 ZINC000033027268 523903684 /nfs/dbraw/zinc/90/36/84/523903684.db2.gz BHZDKCUQPCHOLW-UHFFFAOYSA-N 0 1 480.594 2.347 50 0 JEAAMN CN1CCN(c2ccc(NC(=O)[C@@H]3CCCN(C4=NS(=O)(=O)c5ccccc54)C3)cc2)CC1 ZINC000014751431 523926539 /nfs/dbraw/zinc/92/65/39/523926539.db2.gz AUDJAFIGGRNRDG-GOSISDBHSA-N 0 1 467.595 2.238 50 0 JEAAMN Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3CCOCC3)ccc2N2CC[NH2+]CC2)c(C)c1 ZINC000033033642 524322151 /nfs/dbraw/zinc/32/21/51/524322151.db2.gz JVNBJYHCKQJPNX-UHFFFAOYSA-N 0 1 472.611 2.295 50 0 JEAAMN COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCN(Cc2ccccc2)CC1 ZINC000020485618 524457498 /nfs/dbraw/zinc/45/74/98/524457498.db2.gz RIFKGEGIPRTCOB-VWLOTQADSA-N 0 1 487.604 2.382 50 0 JEAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)CC1 ZINC000064950475 524735848 /nfs/dbraw/zinc/73/58/48/524735848.db2.gz 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495.649 2.434 50 0 JEAAMN O=C(c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)N1CCOCC1 ZINC000033033098 526700381 /nfs/dbraw/zinc/70/03/81/526700381.db2.gz HEPQTRHGQVRFGY-UHFFFAOYSA-N 0 1 464.975 2.023 50 0 JEAAMN Cn1c2ccccc2n(CC(=O)NCCN(CCc2ccccc2)Cc2ccco2)c(=O)c1=O ZINC000021649685 527110969 /nfs/dbraw/zinc/11/09/69/527110969.db2.gz CQGHRCRFCJLAJH-UHFFFAOYSA-N 0 1 460.534 2.154 50 0 JEAAMN O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000008591215 527423359 /nfs/dbraw/zinc/42/33/59/527423359.db2.gz WADJAPYNFZHBSG-UHFFFAOYSA-N 0 1 462.529 2.345 50 0 JEAAMN COc1cc2c(cc1OC)[C@H](c1c([O-])[nH]c(=O)n(-c3ccc(Br)cc3)c1=O)[NH2+]CC2 ZINC000002129723 554059491 /nfs/dbraw/zinc/05/94/91/554059491.db2.gz ZWLPLTVHVCFZHQ-GOSISDBHSA-N 0 1 474.311 2.246 50 0 biogenic JEAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1 ZINC000002486888 554226760 /nfs/dbraw/zinc/22/67/60/554226760.db2.gz NQVSCAVSZCTGMQ-QFIPXVFZSA-N 0 1 483.406 2.114 50 0 JEAAMN 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COc1ccc(NS(=O)(=O)c2cc(N3C(=O)C(C)(C)CS3(=O)=O)ccc2OC)cc1 ZINC000013689327 555582859 /nfs/dbraw/zinc/58/28/59/555582859.db2.gz SQABBDRWNUVNIY-UHFFFAOYSA-N 0 1 454.526 2.207 50 0 JEAAMN COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 ZINC000013718647 555595050 /nfs/dbraw/zinc/59/50/50/555595050.db2.gz GGDJPPDHVCRUDL-GFCCVEGCSA-N 0 1 452.510 2.011 50 0 JEAAMN COc1ccc(NS(=O)(=O)c2cc(N3C(=O)C(C)(C)CS3(=O)=O)ccc2OC)cc1OC ZINC000013727078 555600972 /nfs/dbraw/zinc/60/09/72/555600972.db2.gz MMLAZXRYYNGLSE-UHFFFAOYSA-N 0 1 484.552 2.216 50 0 JEAAMN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(Cc3ccccc3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1OC ZINC000020028213 555603497 /nfs/dbraw/zinc/60/34/97/555603497.db2.gz JTGNZFJBQWSUGK-XZOQPEGZSA-N 0 1 480.565 2.228 50 0 JEAAMN O=c1c(C(c2ccc(Cl)cc2)c2c(O)nc3n(c2=O)CCS3)c(O)nc2n1CCS2 ZINC000013775431 555616001 /nfs/dbraw/zinc/61/60/01/555616001.db2.gz OBGMSSLHQMHMSB-UHFFFAOYSA-N 0 1 462.940 2.256 50 0 JEAAMN COc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)ccc1OCC(=O)N1CCOCC1 ZINC000010220093 555653372 /nfs/dbraw/zinc/65/33/72/555653372.db2.gz VVTQRYFXBRFWAH-IBGZPJMESA-N 0 1 457.527 2.093 50 0 JEAAMN CCOC(=O)C1CCN(CC2=NC(=O)N[C@@H](c3ccc(OC)c(COC)c3)C2C(=O)OCC)CC1 ZINC000013960888 555665233 /nfs/dbraw/zinc/66/52/33/555665233.db2.gz SKSZAFMKOOYQOG-QFIPXVFZSA-N 0 1 489.569 2.288 50 0 JEAAMN CCOC(=O)C1C(COC(=O)[C@H]2Cc3ccccc3C(=O)O2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000010418545 555706244 /nfs/dbraw/zinc/70/62/44/555706244.db2.gz VXGXFNCVQCPHJX-TZIWHRDSSA-N 0 1 480.473 2.191 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(c3ncccn3)CC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214684 555710317 /nfs/dbraw/zinc/71/03/17/555710317.db2.gz LCBRILWWPWYAGC-JOCHJYFZSA-N 0 1 480.569 2.257 50 0 JEAAMN Cn1cccc1[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000014202065 555733543 /nfs/dbraw/zinc/73/35/43/555733543.db2.gz RJGQLDAYBYWYNX-MRXNPFEDSA-N 0 1 457.021 2.410 50 0 JEAAMN CCOC(=O)C1C(COC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)=NC(=O)N[C@@H]1c1ccccc1 ZINC000014227706 555735464 /nfs/dbraw/zinc/73/54/64/555735464.db2.gz WGLMZOIYVZHXFF-VBKZILBWSA-N 0 1 477.473 2.086 50 0 JEAAMN COc1cccc(C(=O)NCCCN2CCN(CCCNC(=O)c3cccc(OC)c3)CC2)c1 ZINC000020274093 555749301 /nfs/dbraw/zinc/74/93/01/555749301.db2.gz CNPHRHNXQPLBEW-UHFFFAOYSA-N 0 1 468.598 2.261 50 0 JEAAMN Cn1c2nc(CN3CCN(Cc4ccccc4)CC3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000020328976 555774796 /nfs/dbraw/zinc/77/47/96/555774796.db2.gz RAEHEZBAMSEAJT-UHFFFAOYSA-N 0 1 493.011 2.453 50 0 JEAAMN CCOC(=O)C1=C(CN2CCN(c3ccc(Cl)nn3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560350 555811293 /nfs/dbraw/zinc/81/12/93/555811293.db2.gz JVCAIZDVOXNVLV-NRFANRHFSA-N 0 1 470.961 2.432 50 0 JEAAMN CN1CCN(c2ccc(NC(=O)CCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cn2)CC1 ZINC000014521225 555816333 /nfs/dbraw/zinc/81/63/33/555816333.db2.gz KZFDDEFQUPTPNL-UHFFFAOYSA-N 0 1 459.616 2.438 50 0 JEAAMN Cc1cc(C(=O)N2CCc3c(c(C(=O)N4CCOCC4)nn3CCCc3ccccc3)C2)n[nH]1 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/nfs/dbraw/zinc/89/15/40/555891540.db2.gz UNBYXIODLHBJIW-JTHBVZDNSA-N 0 1 491.635 2.013 50 0 JEAAMN Cc1ccccc1Cn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000022922337 555975938 /nfs/dbraw/zinc/97/59/38/555975938.db2.gz SLAQSPGUWQHAMO-UHFFFAOYSA-N 0 1 458.566 2.098 50 0 JEAAMN CN1CC[NH+](CCCNC(=O)CCCN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)CC1 ZINC000022936449 555989127 /nfs/dbraw/zinc/98/91/27/555989127.db2.gz BPQWDBNIHNYCLB-QHCPKHFHSA-N 0 1 451.571 2.082 50 0 JEAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000022937160 555990342 /nfs/dbraw/zinc/99/03/42/555990342.db2.gz KXLZMNVIIVQESY-JOCHJYFZSA-N 0 1 479.654 2.479 50 0 JEAAMN CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1 ZINC000023019491 556000103 /nfs/dbraw/zinc/00/01/03/556000103.db2.gz SPTYMIBZQRWMDT-UHFFFAOYSA-N 0 1 479.502 2.468 50 0 JEAAMN CCN(C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000012531973 556002030 /nfs/dbraw/zinc/00/20/30/556002030.db2.gz XGLWEPGWSCXCPW-ZDUSSCGKSA-N 0 1 459.391 2.362 50 0 JEAAMN CCOC(=O)C1=C(COC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@@H]1C ZINC000012532559 556003357 /nfs/dbraw/zinc/00/33/57/556003357.db2.gz WMMFTTAWQUSHOT-CYBMUJFWSA-N 0 1 491.497 2.302 50 0 JEAAMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2sccc2C)CC1 ZINC000012536654 556009735 /nfs/dbraw/zinc/00/97/35/556009735.db2.gz QCTZTMVLMGFOEI-UHFFFAOYSA-N 0 1 478.640 2.472 50 0 JEAAMN CN1CCN(c2ccc(NC(=O)c3ccc(N4C(=O)CCS4(=O)=O)cc3Cl)cc2)CC1 ZINC000015858291 556025452 /nfs/dbraw/zinc/02/54/52/556025452.db2.gz RVCCAXUUSPAJPY-UHFFFAOYSA-N 0 1 462.959 2.411 50 0 JEAAMN COc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)n[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000015860852 556033034 /nfs/dbraw/zinc/03/30/34/556033034.db2.gz AWLBYAWTTZOTNY-UHFFFAOYSA-N 0 1 482.562 2.305 50 0 JEAAMN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000023249003 556034918 /nfs/dbraw/zinc/03/49/18/556034918.db2.gz PYGVZOPSDPQXLA-XXBNENTESA-N 0 1 474.627 2.363 50 0 JEAAMN COc1ccc(OC)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(Cl)c2)c1 ZINC000015862700 556035861 /nfs/dbraw/zinc/03/58/61/556035861.db2.gz RUFBTPHPAYWBMQ-UHFFFAOYSA-N 0 1 482.002 2.370 50 0 JEAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000015956668 556088849 /nfs/dbraw/zinc/08/88/49/556088849.db2.gz HUNPJPIHFBDLNE-XVIHEJCXSA-N 0 1 480.952 2.143 50 0 biogenic JEAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3C(=O)OC)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000015959057 556090766 /nfs/dbraw/zinc/09/07/66/556090766.db2.gz GUZDMUFNZNVQGQ-KKPNIWNPSA-N 0 1 459.502 2.467 50 0 biogenic JEAAMN Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(N)=O)N[C@@]32c3ccc(Cl)c(C)c3NC2=O)c1 ZINC000016010016 556109065 /nfs/dbraw/zinc/10/90/65/556109065.db2.gz YJOVIDPWQILJHJ-UJAPCULTSA-N 0 1 480.952 2.456 50 0 JEAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)N[C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000016024725 556115399 /nfs/dbraw/zinc/11/53/99/556115399.db2.gz 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50 0 JEAAMN O=C(NCCn1ncc2c1ncnc2N1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000017179115 556234055 /nfs/dbraw/zinc/23/40/55/556234055.db2.gz SKKLSTWLAXSUGZ-UHFFFAOYSA-N 0 1 485.548 2.307 50 0 JEAAMN CCOC(=O)C1=C(COC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)NC(=O)NC1 ZINC000026241933 556251049 /nfs/dbraw/zinc/25/10/49/556251049.db2.gz DPNXTVBXWKECKU-UHFFFAOYSA-N 0 1 493.925 2.428 50 0 JEAAMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000026816245 556263713 /nfs/dbraw/zinc/26/37/13/556263713.db2.gz SXLZIZRXZLWQEQ-BHIPXLNZSA-N 0 1 481.936 2.188 50 0 JEAAMN CCOC(=O)C1C(COC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000013127266 556343159 /nfs/dbraw/zinc/34/31/59/556343159.db2.gz FQRWSCJJUMDVMW-OPAMFIHVSA-N 0 1 485.537 2.201 50 0 JEAAMN CN1CCN([C@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)c2ccccc2Cl)CC1 ZINC000019819080 556387320 /nfs/dbraw/zinc/38/73/20/556387320.db2.gz OIFJUSZXMMNZQW-OAQYLSRUSA-N 0 1 491.013 2.125 50 0 JEAAMN COC(=O)C[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1Cl)C(=O)OC ZINC000031806984 556404996 /nfs/dbraw/zinc/40/49/96/556404996.db2.gz YECWUUMZBGMGCB-SUMWQHHRSA-N 0 1 455.298 2.478 50 0 JEAAMN CCN(CC(=O)NCC1(N2CCOCC2)CCCCC1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000032753368 556485797 /nfs/dbraw/zinc/48/57/97/556485797.db2.gz IKPFPBCCBSBJHF-UHFFFAOYSA-N 0 1 473.618 2.057 50 0 JEAAMN Cn1c2nc(N3CCN(Cc4ccccc4)CC3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000055554910 569592104 /nfs/dbraw/zinc/59/21/04/569592104.db2.gz NPLGEOLUGKVOOD-UHFFFAOYSA-N 0 1 478.984 2.458 50 0 JEAAMN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1 ZINC000056907930 569592509 /nfs/dbraw/zinc/59/25/09/569592509.db2.gz GDMALOCVPMPIHH-INIZCTEOSA-N 0 1 474.612 2.274 50 0 JEAAMN COC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414594 569600029 /nfs/dbraw/zinc/60/00/29/569600029.db2.gz VWLHDVLHSADLQS-QHCPKHFHSA-N 0 1 450.539 2.294 50 0 JEAAMN COC(=O)C1C(CN2CCN(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414594 569600030 /nfs/dbraw/zinc/60/00/30/569600030.db2.gz VWLHDVLHSADLQS-QHCPKHFHSA-N 0 1 450.539 2.294 50 0 JEAAMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008734754 569601795 /nfs/dbraw/zinc/60/17/95/569601795.db2.gz BIBHGUKCQDCFEJ-WIYYLYMNSA-N 0 1 499.699 2.326 50 0 JEAAMN CN1CCN(CCNC(=O)CCCn2c(=O)c3cccn3c3ccc(Br)cc32)CC1 ZINC000033332059 569624672 /nfs/dbraw/zinc/62/46/72/569624672.db2.gz OGYSHERXAGFXPX-UHFFFAOYSA-N 0 1 474.403 2.161 50 0 JEAAMN Cc1cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(N2CCOCC2)n1 ZINC000065365653 569675489 /nfs/dbraw/zinc/67/54/89/569675489.db2.gz QXUSXQGHZNDOKW-UHFFFAOYSA-N 0 1 471.505 2.151 50 0 JEAAMN COC(=O)C1C(CN2CCN(C(=O)OC(C)(C)C)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067689572 569689766 /nfs/dbraw/zinc/68/97/66/569689766.db2.gz FYMIPOIIGGNBKZ-FQEVSTJZSA-N 0 1 490.557 2.038 50 0 JEAAMN COc1cccc(CN(CCC(=O)N2CCNCC2)C(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000035421866 569692421 /nfs/dbraw/zinc/69/24/21/569692421.db2.gz GMCIQRLJDDHWME-UHFFFAOYSA-N 0 1 471.554 2.185 50 0 JEAAMN COc1ccc(CN2CCC(NC(=O)CCN3C(=O)CC4(CCCC4)C3=O)CC2)cc1OC ZINC000079477073 569707485 /nfs/dbraw/zinc/70/74/85/569707485.db2.gz ATWMXKJLQKQMBG-UHFFFAOYSA-N 0 1 457.571 2.494 50 0 JEAAMN NC1(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CCS(=O)(=O)CC1 ZINC000091690301 569721228 /nfs/dbraw/zinc/72/12/28/569721228.db2.gz STBFXIRWRPDKLT-UHFFFAOYSA-N 0 1 463.550 2.105 50 0 JEAAMN COc1ccc(CN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H](C)Cc2cccs2)cc1 ZINC000036382131 569773701 /nfs/dbraw/zinc/77/37/01/569773701.db2.gz KBLBUVVSCWBMBF-HNNXBMFYSA-N 0 1 456.568 2.052 50 0 JEAAMN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](CCC(N)=O)N[C@@]23c2cc(Cl)ccc2NC3=O)c1 ZINC000036569299 569776499 /nfs/dbraw/zinc/77/64/99/569776499.db2.gz QUHJTUQGXNKLPX-LTJFPGKXSA-N 0 1 472.929 2.387 50 0 JEAAMN COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1)C(=O)OC ZINC000036593040 569777085 /nfs/dbraw/zinc/77/70/85/569777085.db2.gz QGXOAMIANUEBNC-CRAIPNDOSA-N 0 1 479.331 2.324 50 0 JEAAMN CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2O)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000101455899 569797899 /nfs/dbraw/zinc/79/78/99/569797899.db2.gz FHPQEOQJSLSXHY-GOSISDBHSA-N 0 1 462.462 2.275 50 0 JEAAMN CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)N[C@H](Cc1cnc[nH]1)C(N)=O ZINC000239415301 570051780 /nfs/dbraw/zinc/05/17/80/570051780.db2.gz UDQCJOWXMPDCJZ-WRVRXEDSSA-N 0 1 741.846 2.455 50 0 JEAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(C)C2=O)[C@@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@@H]21 ZINC000245238037 570057336 /nfs/dbraw/zinc/05/73/36/570057336.db2.gz DEFJFUFALZXFTQ-HOSCZWGSSA-N 0 1 478.574 2.347 50 0 JEAAMN CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1OC ZINC000245240987 570058260 /nfs/dbraw/zinc/05/82/60/570058260.db2.gz WBHGHYGJWCJULG-GUDVDZBRSA-N 0 1 463.600 2.133 50 0 JEAAMN CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000245276370 570061122 /nfs/dbraw/zinc/06/11/22/570061122.db2.gz VAXNTGHUFXCEDH-IRXDYDNUSA-N 0 1 465.645 2.473 50 0 JEAAMN CCOC(=O)C1=CNC(=O)C([C@@H](CC(=O)NCCc2cnc[nH]2)c2ccc3c(c2)OCO3)C1=O ZINC000253496544 570100240 /nfs/dbraw/zinc/10/02/40/570100240.db2.gz MJBACCJQHPATSX-HNNXBMFYSA-N 0 1 468.466 2.002 50 0 JEAAMN COc1ccc([C@H](CC(=O)N[C@H]2CCSC2=O)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263586706 570171942 /nfs/dbraw/zinc/17/19/42/570171942.db2.gz XBVBCMICOWQVPL-KBPBESRZSA-N 0 1 463.508 2.350 50 0 biogenic JEAAMN COc1ccc([C@@H](CC(=O)NCCn2ccnc2)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263586800 570172024 /nfs/dbraw/zinc/17/20/24/570172024.db2.gz YCKASZKFBLLSJF-MRXNPFEDSA-N 0 1 457.483 2.215 50 0 biogenic JEAAMN Cc1cc(=O)nc2c3ccccc3n(CC(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)n21 ZINC000002947722 194176345 /nfs/dbraw/zinc/17/63/45/194176345.db2.gz GQABZVXBBKXOSB-UHFFFAOYSA-N 0 1 476.556 2.425 50 0 JEAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003312563 194277387 /nfs/dbraw/zinc/27/73/87/194277387.db2.gz VGIDRYMGPXPSQL-UHFFFAOYSA-N 0 1 487.563 2.314 50 0 JEAAMN CCn1cc(C(=O)NCCN(C)CCc2ccccc2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000004077948 194375095 /nfs/dbraw/zinc/37/50/95/194375095.db2.gz OUMISMNMRVPHEV-UHFFFAOYSA-N 0 1 484.622 2.176 50 0 JEAAMN CCOC(=O)C[C@@H](Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1Cl ZINC000004111150 194379680 /nfs/dbraw/zinc/37/96/80/194379680.db2.gz KZBGGLZPIXJGLN-GOSISDBHSA-N 0 1 476.965 2.305 50 0 JEAAMN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000012638738 195069241 /nfs/dbraw/zinc/06/92/41/195069241.db2.gz NINQTUOSHSELTK-UZLBHIALSA-N 0 1 462.572 2.248 50 0 JEAAMN COc1ccc(-c2n[nH]c(SCC(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)n2)cc1 ZINC000012684678 195085535 /nfs/dbraw/zinc/08/55/35/195085535.db2.gz LOEVZAVHDZFIBT-OAQYLSRUSA-N 0 1 452.496 2.071 50 0 JEAAMN COc1ccc(C(=O)Nn2cnnc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000012742102 195101384 /nfs/dbraw/zinc/10/13/84/195101384.db2.gz SFZJGCCYMRKDBA-UHFFFAOYSA-N 0 1 452.290 2.234 50 0 JEAAMN O=S(=O)(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012775093 195120087 /nfs/dbraw/zinc/12/00/87/195120087.db2.gz PGRKNVTXPHKNJY-UHFFFAOYSA-N 0 1 474.568 2.260 50 0 JEAAMN CCOc1ccc(OCCNS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1 ZINC000012818203 195148010 /nfs/dbraw/zinc/14/80/10/195148010.db2.gz RLWXARMTASVTQY-UHFFFAOYSA-N 0 1 457.526 2.386 50 0 JEAAMN COc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)[nH]c2c1 ZINC000012859859 195158992 /nfs/dbraw/zinc/15/89/92/195158992.db2.gz UETAMCYYIJNKPX-UHFFFAOYSA-N 0 1 462.553 2.323 50 0 JEAAMN Cc1ccccc1N(C)S(=O)(=O)c1ccc2ncc(C(=O)NCCCN3CCOCC3)c(O)c2c1 ZINC000020677450 195202277 /nfs/dbraw/zinc/20/22/77/195202277.db2.gz YCTYKBSLMQPYGT-UHFFFAOYSA-N 0 1 498.605 2.114 50 0 JEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2ccccc21 ZINC000020760252 195217597 /nfs/dbraw/zinc/21/75/97/195217597.db2.gz KCYWLJXGKNZHBW-MSZDEVHKSA-N 0 1 458.518 2.168 50 0 biogenic JEAAMN CC[C@@H](C)N1CCN(C(=O)Cn2c3ccc(S(=O)(=O)NCc4ccccc4)cc3oc2=O)CC1 ZINC000020761609 195217969 /nfs/dbraw/zinc/21/79/69/195217969.db2.gz FJRPFCLFSPFVMW-GOSISDBHSA-N 0 1 486.594 2.016 50 0 JEAAMN CCOc1ccc(CCNS(=O)(=O)c2c(C)nc3sc(CC)nn3c2=O)cc1OCC ZINC000020852138 195231499 /nfs/dbraw/zinc/23/14/99/195231499.db2.gz YUTTZJDAXVRKSF-UHFFFAOYSA-N 0 1 466.585 2.340 50 0 JEAAMN CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(OC)c2)cc1 ZINC000021534263 195310452 /nfs/dbraw/zinc/31/04/52/195310452.db2.gz NSGNNUMPQCRIQX-UHFFFAOYSA-N 0 1 461.584 2.107 50 0 JEAAMN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478477 195343831 /nfs/dbraw/zinc/34/38/31/195343831.db2.gz VUXNARLDYRIESU-QFIPXVFZSA-N 0 1 466.538 2.471 50 0 JEAAMN O=C(CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000058084144 195364563 /nfs/dbraw/zinc/36/45/63/195364563.db2.gz CLRREDTWEIHJCR-OAQYLSRUSA-N 0 1 476.606 2.073 50 0 JEAAMN CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](CC(N)=O)N[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000061999545 195419168 /nfs/dbraw/zinc/41/91/68/195419168.db2.gz FFCONKMRGJYMMK-IZJXBPLLSA-N 0 1 464.522 2.120 50 0 biogenic JEAAMN Cc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4cc(-c5ccncc5)[nH]n4)CC3)CC2=O)cc1C ZINC000096324821 130071016 /nfs/dbraw/zinc/07/10/16/130071016.db2.gz OSZSBQRZVKTZIN-FQEVSTJZSA-N 0 1 472.549 2.426 50 0 JEAAMN CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)NCCc3nnc(-c4ccc(F)cc4)[nH]3)cc21 ZINC000064969572 519634772 /nfs/dbraw/zinc/63/47/72/519634772.db2.gz COIVBRUIXRAAPW-CYBMUJFWSA-N 0 1 459.503 2.266 50 0 JEAAMN CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)C2)CC1 ZINC000033279231 519856541 /nfs/dbraw/zinc/85/65/41/519856541.db2.gz BMLMAUBHIUMFRK-MRXNPFEDSA-N 0 1 467.617 2.061 50 0 JEAAMN CCN1CCC[C@H]1CNS(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1OC ZINC000033255783 521658299 /nfs/dbraw/zinc/65/82/99/521658299.db2.gz WBHGHYGJWCJULG-GBESFXJTSA-N 0 1 463.600 2.133 50 0 JEAAMN CCN1CCN(c2nc3cc(C(=O)OC)ccc3c(=O)n2-c2cc(OC)cc(OC)c2)CC1 ZINC000033300598 521701038 /nfs/dbraw/zinc/70/10/38/521701038.db2.gz SCMMKTMYOLMFPP-UHFFFAOYSA-N 0 1 452.511 2.331 50 0 JEAAMN COC(=O)c1c(OC[C@H]2CC(=O)N(C)C2)cc(=O)n2c1CCN(Cc1ccc(C)c(C)c1)CC2 ZINC000014985545 521780533 /nfs/dbraw/zinc/78/05/33/521780533.db2.gz LGUQILYAQJIMCO-FQEVSTJZSA-N 0 1 467.566 2.167 50 0 JEAAMN COc1cc(C(=O)N(CCCc2ccccc2)CC(=O)N2CCNCC2)cc(OC)c1OC ZINC000033032670 522063482 /nfs/dbraw/zinc/06/34/82/522063482.db2.gz BKANKHHKGSRSPP-UHFFFAOYSA-N 0 1 455.555 2.219 50 0 JEAAMN COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccc4c(c3)OCO4)CC2)C1=O ZINC000014748927 523170797 /nfs/dbraw/zinc/17/07/97/523170797.db2.gz TYFBPMRBLMMULI-UHFFFAOYSA-N 0 1 479.533 2.430 50 0 JEAAMN COc1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)cc1 ZINC000008709854 523311147 /nfs/dbraw/zinc/31/11/47/523311147.db2.gz DCBCZKJXKHFMGZ-UHFFFAOYSA-N 0 1 450.543 2.250 50 0 JEAAMN COCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)cc2c1=O ZINC000009833771 523362509 /nfs/dbraw/zinc/36/25/09/523362509.db2.gz RQTSMNWMFFNDDB-UHFFFAOYSA-N 0 1 451.451 2.373 50 0 JEAAMN COCCNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000033034121 523924674 /nfs/dbraw/zinc/92/46/74/523924674.db2.gz RXVGVDSLBMTYMQ-UHFFFAOYSA-N 0 1 460.600 2.198 50 0 JEAAMN CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000033032937 524023355 /nfs/dbraw/zinc/02/33/55/524023355.db2.gz MIMICGDHYLGVJS-UHFFFAOYSA-N 0 1 467.389 2.361 50 0 JEAAMN COc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1OC ZINC000014996230 524040121 /nfs/dbraw/zinc/04/01/21/524040121.db2.gz BUFMTOITERSITF-XMSQKQJNSA-N 0 1 457.575 2.203 50 0 JEAAMN COc1ccc(NC(=O)CN(C[C@@H]2CCOC2)C2CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000040118734 524491430 /nfs/dbraw/zinc/49/14/30/524491430.db2.gz FRZZBJKWXAFSSX-KRWDZBQOSA-N 0 1 451.589 2.309 50 0 JEAAMN COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)c(OC)c1 ZINC000012324108 524693247 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COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccccc3)[nH]c2=O)cc1OC ZINC000002712596 554298099 /nfs/dbraw/zinc/29/80/99/554298099.db2.gz CFZJKKTWOYOFCE-UHFFFAOYSA-N 0 1 455.496 2.352 50 0 JEAAMN CC(=O)NCCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1 ZINC000002973631 554414402 /nfs/dbraw/zinc/41/44/02/554414402.db2.gz CZJNWKUDTMQKET-UHFFFAOYSA-N 0 1 475.368 2.362 50 0 JEAAMN COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)NCCC[NH+]3CCOCC3)cc1)c2=O ZINC000002973506 554414420 /nfs/dbraw/zinc/41/44/20/554414420.db2.gz YPEVKVPHYPESTI-UHFFFAOYSA-N 0 1 496.589 2.346 50 0 JEAAMN Cc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)n2)cc1 ZINC000008973606 554844595 /nfs/dbraw/zinc/84/45/95/554844595.db2.gz CKRUETKQPXZJBR-UHFFFAOYSA-N 0 1 462.491 2.384 50 0 JEAAMN Cc1cccc(-n2ccc(=O)c(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)n2)c1 ZINC000008973615 554844957 /nfs/dbraw/zinc/84/49/57/554844957.db2.gz UXXPPRCSIDLTRF-UHFFFAOYSA-N 0 1 462.491 2.384 50 0 JEAAMN Cn1c2cc(Cl)c(S(=O)(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)cc2oc1=O 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555603672 /nfs/dbraw/zinc/60/36/72/555603672.db2.gz SBNUMHQZYQILOE-UHFFFAOYSA-N 0 1 466.537 2.285 50 0 JEAAMN CCOC(=O)COc1cc(Br)c([C@H]2NC(=S)N=C(C)C2C(=O)OC)cc1OC ZINC000013915704 555647280 /nfs/dbraw/zinc/64/72/80/555647280.db2.gz MRPMTSSQHASBPQ-MRXNPFEDSA-N 0 1 473.345 2.365 50 0 JEAAMN COc1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)ccc1OCC(=O)N1CCOCC1 ZINC000010220094 555653341 /nfs/dbraw/zinc/65/33/41/555653341.db2.gz VVTQRYFXBRFWAH-LJQANCHMSA-N 0 1 457.527 2.093 50 0 JEAAMN CN(C)[C@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1cccc(F)c1 ZINC000014072519 555679490 /nfs/dbraw/zinc/67/94/90/555679490.db2.gz TYQRSECHORADKR-OAQYLSRUSA-N 0 1 475.590 2.314 50 0 JEAAMN CCC(=O)N1CCc2cc(S(=O)(=O)NCCN3CCN(Cc4ccccc4)CC3)ccc21 ZINC000020182000 555689618 /nfs/dbraw/zinc/68/96/18/555689618.db2.gz YMKQVNCCENIDDA-UHFFFAOYSA-N 0 1 456.612 2.082 50 0 JEAAMN CCOC(=O)C1C(COC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)=NC(=O)N[C@@H]1c1ccccc1 ZINC000014227703 555735376 /nfs/dbraw/zinc/73/53/76/555735376.db2.gz 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COc1cc(OC)c(OC)cc1CN1CCc2nnc([C@@H](C)NC(=O)c3cccnc3)n2CC1 ZINC000012164901 555932464 /nfs/dbraw/zinc/93/24/64/555932464.db2.gz AQJMZHNZUAFGHG-MRXNPFEDSA-N 0 1 466.542 2.248 50 0 JEAAMN COc1ccc(C2=Nc3ccc(S(=O)(=O)N4CCCCC4)cc3S(=O)(=O)N2)cc1OC ZINC000015682397 555952157 /nfs/dbraw/zinc/95/21/57/555952157.db2.gz CJNKNRSXIYASDF-UHFFFAOYSA-N 0 1 465.553 2.249 50 0 JEAAMN CSc1ccc(CC(=O)N2CCOc3ccc(CN4CCN(CCO)CC4)cc3C2)cc1 ZINC000022853495 555960188 /nfs/dbraw/zinc/96/01/88/555960188.db2.gz RRBDKRNTURGUFC-UHFFFAOYSA-N 0 1 455.624 2.482 50 0 JEAAMN CCN1CC[NH+](CCCNC(=O)CCCN2C(=O)[C@@H](c3ccccc3)Oc3cccnc32)CC1 ZINC000022936450 555988961 /nfs/dbraw/zinc/98/89/61/555988961.db2.gz FZIJLNVSPKZUCX-XMMPIXPASA-N 0 1 465.598 2.472 50 0 JEAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000022937162 555990106 /nfs/dbraw/zinc/99/01/06/555990106.db2.gz KXLZMNVIIVQESY-QFIPXVFZSA-N 0 1 479.654 2.479 50 0 JEAAMN COc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(Cl)c2)cc1 ZINC000015862699 556035767 /nfs/dbraw/zinc/03/57/67/556035767.db2.gz GONVXZUKKDOXPB-UHFFFAOYSA-N 0 1 451.976 2.361 50 0 JEAAMN COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N1CCNCC1)Cc1ccc(F)cc1 ZINC000015864247 556039060 /nfs/dbraw/zinc/03/90/60/556039060.db2.gz QLDOBDMFXNPYKR-UHFFFAOYSA-N 0 1 455.939 2.110 50 0 JEAAMN O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1cccs1)N1CCNCC1 ZINC000015864306 556039400 /nfs/dbraw/zinc/03/94/00/556039400.db2.gz OFMJGFTVUXIEIC-UHFFFAOYSA-N 0 1 458.403 2.133 50 0 JEAAMN CCN1CCN(c2ccc(N3CCN(S(=O)(=O)c4cc(C)c(C)cc4C)CC3)nn2)CC1 ZINC000015882352 556056265 /nfs/dbraw/zinc/05/62/65/556056265.db2.gz XOYKFIYIJALSAK-UHFFFAOYSA-N 0 1 458.632 2.055 50 0 JEAAMN CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000015956645 556088444 /nfs/dbraw/zinc/08/84/44/556088444.db2.gz CLWQBSBRNHEKIC-PNOLHXSVSA-N 0 1 459.502 2.405 50 0 biogenic JEAAMN COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCSC)N[C@@]32c3ccccc3NC2=O)c1 ZINC000015956873 556088845 /nfs/dbraw/zinc/08/88/45/556088845.db2.gz WENKXTDNDCVSFA-XXPWESIGSA-N 0 1 467.547 2.382 50 0 biogenic JEAAMN CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C(=O)OC)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000015958154 556089554 /nfs/dbraw/zinc/08/95/54/556089554.db2.gz BVXVJDXDVZXLNT-GTPNXJITSA-N 0 1 459.502 2.467 50 0 biogenic JEAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000015958493 556089936 /nfs/dbraw/zinc/08/99/36/556089936.db2.gz YXKLVBVANMTDHK-XXPWESIGSA-N 0 1 465.531 2.089 50 0 biogenic JEAAMN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2ccc(C)cc21 ZINC000015970445 556096277 /nfs/dbraw/zinc/09/62/77/556096277.db2.gz PJFNFMLIJCUIDD-MSZDEVHKSA-N 0 1 458.518 2.086 50 0 biogenic JEAAMN NC(=O)CC[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]21 ZINC000016010123 556109410 /nfs/dbraw/zinc/10/94/10/556109410.db2.gz DOPJVAJGQKKKDB-IYCJUYGXSA-N 0 1 454.486 2.030 50 0 JEAAMN NC(=O)CC[C@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000016012948 556111639 /nfs/dbraw/zinc/11/16/39/556111639.db2.gz OLWPECOOXQOAQE-VGHKVXAASA-N 0 1 487.343 2.180 50 0 JEAAMN O=C1Nc2ccccc2[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000016026218 556116417 /nfs/dbraw/zinc/11/64/17/556116417.db2.gz MEFZBYYTEFJSPO-SARUBHRKSA-N 0 1 470.529 2.310 50 0 biogenic JEAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N([C@H](C)c4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000016026157 556116434 /nfs/dbraw/zinc/11/64/34/556116434.db2.gz KNXFSFGRVXVEOJ-WGDLYFCXSA-N 0 1 480.952 2.396 50 0 biogenic JEAAMN COc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H](c3ccsc3)N(C)C)CC2)cc1 ZINC000012982970 556176072 /nfs/dbraw/zinc/17/60/72/556176072.db2.gz FPJSSROBYHGZJQ-LJQANCHMSA-N 0 1 452.602 2.076 50 0 JEAAMN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc(-c2cccs2)n[nH]1 ZINC000013114476 556319460 /nfs/dbraw/zinc/31/94/60/556319460.db2.gz MFPAXVDHTNQVRB-UHFFFAOYSA-N 0 1 495.608 2.294 50 0 JEAAMN CCN1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccccc2OC)CC1 ZINC000019819964 556388488 /nfs/dbraw/zinc/38/84/88/556388488.db2.gz IJJYSXRPRJHJSA-FQEVSTJZSA-N 0 1 461.584 2.124 50 0 JEAAMN CCN1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccccc2OC)CC1 ZINC000019819966 556388534 /nfs/dbraw/zinc/38/85/34/556388534.db2.gz IJJYSXRPRJHJSA-HXUWFJFHSA-N 0 1 461.584 2.124 50 0 JEAAMN COC(=O)C[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1F)C(=O)OC ZINC000031810468 556406175 /nfs/dbraw/zinc/40/61/75/556406175.db2.gz WZNRUXDZHKTIQN-YOEHRIQHSA-N 0 1 483.294 2.073 50 0 JEAAMN CN(CC(=O)NCCN1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000032065656 556413108 /nfs/dbraw/zinc/41/31/08/556413108.db2.gz ANFFMWKGBBPQCT-UHFFFAOYSA-N 0 1 480.634 2.394 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(C(=O)OC(C)(C)C)CC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414798 569600285 /nfs/dbraw/zinc/60/02/85/569600285.db2.gz SMFRVHSQFVIPCQ-HXUWFJFHSA-N 0 1 474.558 2.419 50 0 JEAAMN COC(=O)C1C(CN2CCN(C(=O)c3ccco3)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000057415128 569600660 /nfs/dbraw/zinc/60/06/60/569600660.db2.gz AUEBRRRSZZJGHK-IBGZPJMESA-N 0 1 458.902 2.172 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(c3ccccn3)CC2)=NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000057415529 569600770 /nfs/dbraw/zinc/60/07/70/569600770.db2.gz ZWEGINKNJUCQOM-HSZRJFAPSA-N 0 1 465.554 2.474 50 0 JEAAMN Cn1ncc2c3ccccc3n(CC(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)c2c1=O ZINC000064775914 569627691 /nfs/dbraw/zinc/62/76/91/569627691.db2.gz JUSWDHWIXFVSKI-UHFFFAOYSA-N 0 1 476.556 2.356 50 0 JEAAMN CCCC[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4cccc(OC)c4)CC3)co2)CC1 ZINC000034677761 569642052 /nfs/dbraw/zinc/64/20/52/569642052.db2.gz TWFAOWHVCDNJEU-JOCHJYFZSA-N 0 1 485.629 2.314 50 0 JEAAMN CCC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)co2)CC1 ZINC000034677700 569642129 /nfs/dbraw/zinc/64/21/29/569642129.db2.gz NYTGGCXCTKXBQY-NRFANRHFSA-N 0 1 459.566 2.055 50 0 JEAAMN CCCC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)co2)CC1 ZINC000034677714 569642138 /nfs/dbraw/zinc/64/21/38/569642138.db2.gz YZKSDRLXJLVOQB-QFIPXVFZSA-N 0 1 473.593 2.445 50 0 JEAAMN COCCN(Cc1ccc(OC)c(OC)c1)C[C@@H](Oc1ccccc1)C(=O)N1CCOCC1 ZINC000034708067 569650260 /nfs/dbraw/zinc/65/02/60/569650260.db2.gz NWNWULYYEVBNQB-XMMPIXPASA-N 0 1 458.555 2.459 50 0 JEAAMN O=C(CCc1nnc(-c2cccc(OCC3CCC3)c2)[n-]c1=O)NCCC[NH+]1CCOCC1 ZINC000034765747 569658450 /nfs/dbraw/zinc/65/84/50/569658450.db2.gz GDSYXSXLKRQMOD-UHFFFAOYSA-N 0 1 455.559 2.194 50 0 JEAAMN CCOc1cc([C@H]2NC(=O)N=C(CN3CCN(c4ccccc4)CC3)C2C(=O)OC)ccc1O ZINC000067285694 569683576 /nfs/dbraw/zinc/68/35/76/569683576.db2.gz OMKFUWFIFKWZGS-HSZRJFAPSA-N 0 1 466.538 2.394 50 0 JEAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000035373691 569683789 /nfs/dbraw/zinc/68/37/89/569683789.db2.gz RCJHLRUUTDPSLF-UHFFFAOYSA-N 0 1 472.593 2.368 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(C(=O)OCC)CC2)=NC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000067286211 569683899 /nfs/dbraw/zinc/68/38/99/569683899.db2.gz AXQBAKZRBRDAAE-GOSISDBHSA-N 0 1 495.374 2.394 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(C(=O)OCC)CC2)=NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000067286769 569684038 /nfs/dbraw/zinc/68/40/38/569684038.db2.gz JFKMJVNHASYLRA-OAQYLSRUSA-N 0 1 490.557 2.039 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(c3ccccn3)CC2)=NC(=O)N[C@@H]1c1ccccc1OC ZINC000067287590 569684472 /nfs/dbraw/zinc/68/44/72/569684472.db2.gz VORHCIYVVLXLCI-JOCHJYFZSA-N 0 1 451.527 2.084 50 0 JEAAMN CCC[N@H+]1CCc2nc(SCC(=O)N3CCN(c4ccccc4OC)CC3)[n-]c(=O)c2C1 ZINC000067291720 569685720 /nfs/dbraw/zinc/68/57/20/569685720.db2.gz BEICBMRQQFUTQP-UHFFFAOYSA-N 0 1 457.600 2.400 50 0 JEAAMN CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC(C)CC1 ZINC000035399013 569689360 /nfs/dbraw/zinc/68/93/60/569689360.db2.gz LYCRLTDISGGZAX-OAQYLSRUSA-N 0 1 490.670 2.377 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(c3ccccn3)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067689585 569689807 /nfs/dbraw/zinc/68/98/07/569689807.db2.gz CSFVCFOKZPKCLQ-QHCPKHFHSA-N 0 1 481.553 2.092 50 0 JEAAMN CCOC(=O)C1=C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000095100964 569721706 /nfs/dbraw/zinc/72/17/06/569721706.db2.gz DNCJDTJFPHLXOO-XMMPIXPASA-N 0 1 478.549 2.404 50 0 JEAAMN Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000095472335 569723740 /nfs/dbraw/zinc/72/37/40/569723740.db2.gz APUQWWRERVGNTM-UHFFFAOYSA-N 0 1 495.045 2.237 50 0 JEAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NCCN1CCOCC1)C2 ZINC000035911145 569726346 /nfs/dbraw/zinc/72/63/46/569726346.db2.gz LSSUJETVJNYDPK-AOYPEHQESA-N 0 1 482.600 2.146 50 0 JEAAMN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCCCC2)n1 ZINC000095851225 569729141 /nfs/dbraw/zinc/72/91/41/569729141.db2.gz YXPJFAWTKCVWRV-UHFFFAOYSA-N 0 1 460.581 2.970 50 0 JEAAMN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])[nH]c(=O)n(CCc2ccc(F)cc2)c1=O ZINC000097514680 569745343 /nfs/dbraw/zinc/74/53/43/569745343.db2.gz UDZNVZBWGOCOKO-OAQYLSRUSA-N 0 1 450.470 2.349 50 0 biogenic JEAAMN CS(=O)(=O)N1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)c4ccccc4)cc32)CC1 ZINC000036357121 569771870 /nfs/dbraw/zinc/77/18/70/569771870.db2.gz YFYKRZYROMTCFX-FQEVSTJZSA-N 0 1 456.524 2.123 50 0 JEAAMN O=C(CN1CCN(C(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)CC1)N1CCCC1 ZINC000036386363 569774109 /nfs/dbraw/zinc/77/41/09/569774109.db2.gz GXRCPDRFLYEIQO-LJQANCHMSA-N 0 1 455.628 2.242 50 0 JEAAMN COC(=O)C[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1Cl)C(=O)OC ZINC000036576487 569776802 /nfs/dbraw/zinc/77/68/02/569776802.db2.gz HTZWRPJBXAZPOU-RHSMWYFYSA-N 0 1 455.298 2.478 50 0 JEAAMN COc1ccc(S(=O)(=O)N2CCN(Cc3c([O-])occ(C[NH+]4CCCCCC4)c3=O)CC2)cc1 ZINC000101372860 569794848 /nfs/dbraw/zinc/79/48/48/569794848.db2.gz RQUDXYVKICQGLJ-UHFFFAOYSA-N 0 1 491.610 2.237 50 0 JEAAMN COc1cc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4cc(C)cc(C)c4)c3O)=NN2)cc(OC)c1OC ZINC000101762980 569803804 /nfs/dbraw/zinc/80/38/04/569803804.db2.gz LQXZYOXAUUQRBB-MRXNPFEDSA-N 0 1 466.494 2.313 50 0 JEAAMN COc1cc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4cc(C)cc(C)c4)c3O)=NN2)cc(OC)c1OC ZINC000101762976 569803993 /nfs/dbraw/zinc/80/39/93/569803993.db2.gz LQXZYOXAUUQRBB-INIZCTEOSA-N 0 1 466.494 2.313 50 0 JEAAMN CCOC(=O)C1C(COC(=O)Cc2csc(N3CCCC3=O)n2)=NC(=O)N[C@H]1c1ccccc1 ZINC000045631905 569839932 /nfs/dbraw/zinc/83/99/32/569839932.db2.gz MTDGLAZNHVUJON-FQEVSTJZSA-N 0 1 484.534 2.227 50 0 JEAAMN CCOC(=O)C1=C(CN2CC(=O)N(CCc3ccccc3)C(=O)C2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318515 569851799 /nfs/dbraw/zinc/85/17/99/569851799.db2.gz LYVOWMOESZXHPT-RUZDIDTESA-N 0 1 490.560 2.080 50 0 JEAAMN COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NCCN1CCOCC1)C2 ZINC000169678858 569869345 /nfs/dbraw/zinc/86/93/45/569869345.db2.gz LSSUJETVJNYDPK-AZGAKELHSA-N 0 1 482.600 2.146 50 0 JEAAMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000248089493 570073740 /nfs/dbraw/zinc/07/37/40/570073740.db2.gz UNBYXIODLHBJIW-FYYLOGMGSA-N 0 1 491.635 2.013 50 0 JEAAMN COC(=O)c1c(OC[C@H]2CCCCO2)cc(=O)n2c1CCN(C(=O)c1[nH]nc3ccc(C)cc31)CC2 ZINC000299756295 570174161 /nfs/dbraw/zinc/17/41/61/570174161.db2.gz FZUAANGGQOBGCM-QGZVFWFLSA-N 0 1 494.548 2.466 50 0 JEAAMN O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000004004919 194368973 /nfs/dbraw/zinc/36/89/73/194368973.db2.gz DEJKDZGMFZGSAR-UHFFFAOYSA-N 0 1 469.973 2.062 50 0 JEAAMN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000012612608 195054300 /nfs/dbraw/zinc/05/43/00/195054300.db2.gz JDLFMDMMCZTKCY-NRFANRHFSA-N 0 1 459.616 2.474 50 0 JEAAMN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000012638743 195069145 /nfs/dbraw/zinc/06/91/45/195069145.db2.gz NINQTUOSHSELTK-JXFKEZNVSA-N 0 1 462.572 2.248 50 0 JEAAMN C[C@@H]1CN(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C[C@H](C)O1 ZINC000012765717 195113456 /nfs/dbraw/zinc/11/34/56/195113456.db2.gz UKVWFXOCFMPDIN-KDURUIRLSA-N 0 1 463.644 2.192 50 0 JEAAMN COc1ccc(-c2n[nH]c(SCC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)n2)cc1 ZINC000012872183 195164093 /nfs/dbraw/zinc/16/40/93/195164093.db2.gz QYLCKEJCVNCRHC-FQEVSTJZSA-N 0 1 495.561 2.083 50 0 JEAAMN CC[C@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NC[C@@H]1CCCN1CC ZINC000012891640 195173351 /nfs/dbraw/zinc/17/33/51/195173351.db2.gz XLTBXLQAKGJNBH-QQMNAOGKSA-N 0 1 484.597 2.495 50 0 biogenic JEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2ccccc21 ZINC000012900578 195177236 /nfs/dbraw/zinc/17/72/36/195177236.db2.gz KCYWLJXGKNZHBW-ZUVQJFRASA-N 0 1 458.518 2.168 50 0 biogenic JEAAMN CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCN2CCN(Cc3ccccc3)CC2)C1=O ZINC000020687160 195205493 /nfs/dbraw/zinc/20/54/93/195205493.db2.gz HYVQDTRXYHALFX-HSZRJFAPSA-N 0 1 450.583 2.433 50 0 JEAAMN COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(Cl)ccc1F)C(=O)OC ZINC000020722276 195206703 /nfs/dbraw/zinc/20/67/03/195206703.db2.gz QRHWXXIQOKSSMM-MAUKXSAKSA-N 0 1 452.870 2.354 50 0 JEAAMN COc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c2c1 ZINC000020745908 195215165 /nfs/dbraw/zinc/21/51/65/195215165.db2.gz QHLVINDVXWDUQX-FCHUYYIVSA-N 0 1 451.479 2.286 50 0 JEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2c1cccc2C ZINC000020756633 195215881 /nfs/dbraw/zinc/21/58/81/195215881.db2.gz XNWKQKJBUVKJBT-JLFWUPFSSA-N 0 1 472.545 2.476 50 0 biogenic JEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2ccc(C)cc21 ZINC000020756661 195215984 /nfs/dbraw/zinc/21/59/84/195215984.db2.gz LIBHLBXZGHODBP-GIRPNKPCSA-N 0 1 472.545 2.476 50 0 biogenic JEAAMN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2ccc(C)cc21 ZINC000020757502 195216164 /nfs/dbraw/zinc/21/61/64/195216164.db2.gz PJFNFMLIJCUIDD-IMIIHFCZSA-N 0 1 458.518 2.086 50 0 biogenic JEAAMN CC[C@H](C)N1CCN(C(=O)Cn2c3ccc(S(=O)(=O)NCc4ccccc4)cc3oc2=O)CC1 ZINC000020761615 195217909 /nfs/dbraw/zinc/21/79/09/195217909.db2.gz FJRPFCLFSPFVMW-SFHVURJKSA-N 0 1 486.594 2.016 50 0 JEAAMN COc1ccc([C@H](CC(=O)NCCN2CCN(C)CC2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530572 195308815 /nfs/dbraw/zinc/30/88/15/195308815.db2.gz GMDIOZIAHHUXLA-QFIPXVFZSA-N 0 1 466.582 2.155 50 0 JEAAMN COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)n[nH]2)cc1S(=O)(=O)N(C)C ZINC000021806377 195323780 /nfs/dbraw/zinc/32/37/80/195323780.db2.gz NNAZDTHIFDDFNC-UHFFFAOYSA-N 0 1 483.594 2.294 50 0 JEAAMN O=C(c1cc(-c2ccncc2)[nH]n1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 ZINC000096324825 130070986 /nfs/dbraw/zinc/07/09/86/130070986.db2.gz PAYYRVYIWQTADG-QGZVFWFLSA-N 0 1 478.940 2.463 50 0 JEAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(N)=O)N[C@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000020518360 518342597 /nfs/dbraw/zinc/34/25/97/518342597.db2.gz JBSPXJAOOCZBFC-XVIHEJCXSA-N 0 1 494.935 2.042 50 0 JEAAMN CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)/C(F)=C/c1ccccc1)CC2 ZINC000012329091 519240189 /nfs/dbraw/zinc/24/01/89/519240189.db2.gz 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ZINC000014732662 523802307 /nfs/dbraw/zinc/80/23/07/523802307.db2.gz BXVOVWRMCZZKLH-UHFFFAOYSA-N 0 1 457.527 2.226 50 0 JEAAMN CN1CCN(CCNC(=O)C2CCN(c3ncnc4onc(-c5cccc(F)c5)c43)CC2)CC1 ZINC000033085046 523902060 /nfs/dbraw/zinc/90/20/60/523902060.db2.gz RPQKHTOVZKHJQR-UHFFFAOYSA-N 0 1 467.549 2.004 50 0 JEAAMN CN(C(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1=O)C1CCCCC1 ZINC000006181054 523916356 /nfs/dbraw/zinc/91/63/56/523916356.db2.gz VPOFWZCZNGXDBN-UHFFFAOYSA-N 0 1 489.594 2.460 50 0 JEAAMN COc1ccc(CCn2c(=O)[nH]c([O-])c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c2=O)cc1OC ZINC000020412271 523984992 /nfs/dbraw/zinc/98/49/92/523984992.db2.gz VGQGFSRKOZSTLS-JOCHJYFZSA-N 0 1 462.506 2.219 50 0 biogenic JEAAMN CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC[C@H]3CCCO3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033703 524015768 /nfs/dbraw/zinc/01/57/68/524015768.db2.gz PMKNPZLXLOYRFY-HXUWFJFHSA-N 0 1 472.611 2.368 50 0 JEAAMN COc1ccccc1CNC(=O)C(=O)NC[C@H](c1cccnc1)N1CCN(Cc2ccccc2)CC1 ZINC000020485615 524457809 /nfs/dbraw/zinc/45/78/09/524457809.db2.gz RIFKGEGIPRTCOB-RUZDIDTESA-N 0 1 487.604 2.382 50 0 JEAAMN Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CCC(N)=O)N[C@]32c3ccc(Cl)c(C)c3NC2=O)c1 ZINC000020517720 524536283 /nfs/dbraw/zinc/53/62/83/524536283.db2.gz ODVQLXGKARNUNG-SYSFZUQMSA-N 0 1 466.925 2.147 50 0 JEAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N4CCC(C(N)=O)CC4)c3=O)c2c1 ZINC000008666575 525481954 /nfs/dbraw/zinc/48/19/54/525481954.db2.gz IRMGXERIECXIQG-UHFFFAOYSA-N 0 1 457.556 2.443 50 0 JEAAMN Cc1nn([C@H](C)C(=O)NCCc2cnc[nH]2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033267352 526305848 /nfs/dbraw/zinc/30/58/48/526305848.db2.gz FMZOXIVQNZNSCZ-QGZVFWFLSA-N 0 1 456.510 2.324 50 0 JEAAMN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc2nc(CN3CCOCC3)[nH]c2c1 ZINC000048365858 526709544 /nfs/dbraw/zinc/70/95/44/526709544.db2.gz GNZSGVFJFNUBHW-UHFFFAOYSA-N 0 1 455.902 2.413 50 0 JEAAMN O=C(CN1CCN(C(=O)c2ccccc2Cl)CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000023673498 526765177 /nfs/dbraw/zinc/76/51/77/526765177.db2.gz JPMLWEONZPSKDN-UHFFFAOYSA-N 0 1 463.022 2.249 50 0 JEAAMN O=C(CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000022793680 526770791 /nfs/dbraw/zinc/77/07/91/526770791.db2.gz GXEPGJUPTBKNSP-UHFFFAOYSA-N 0 1 492.064 2.047 50 0 JEAAMN O=C(CNS(=O)(=O)c1c(F)cc(F)cc1Br)OCCn1c(=O)oc2ccccc21 ZINC000040072524 526883866 /nfs/dbraw/zinc/88/38/66/526883866.db2.gz QIYZUYQRPYFNNN-UHFFFAOYSA-N 0 1 491.266 2.157 50 0 JEAAMN CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3s2)CC1 ZINC000001273683 553939392 /nfs/dbraw/zinc/93/93/92/553939392.db2.gz DRAGMAXXAPIIOD-UHFFFAOYSA-N 0 1 471.612 2.380 50 0 JEAAMN COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccc4c(c3)OCO4)[nH]c2=O)cc1OC ZINC000002712620 554298010 /nfs/dbraw/zinc/29/80/10/554298010.db2.gz HZLBWVALQXCTOD-UHFFFAOYSA-N 0 1 499.505 2.081 50 0 JEAAMN O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000003051991 554424778 /nfs/dbraw/zinc/42/47/78/554424778.db2.gz MJBQTWTVSPYGIY-UHFFFAOYSA-N 0 1 482.562 2.288 50 0 JEAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008783511 554680230 /nfs/dbraw/zinc/68/02/30/554680230.db2.gz NDIDNJPIVDWYBS-AWEZNQCLSA-N 0 1 455.471 2.408 50 0 JEAAMN CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 ZINC000009372915 555134201 /nfs/dbraw/zinc/13/42/01/555134201.db2.gz DIZNURJKWYQZOA-UHFFFAOYSA-N 0 1 492.608 2.337 50 0 JEAAMN CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000009403846 555162280 /nfs/dbraw/zinc/16/22/80/555162280.db2.gz DZJIJLICUWIRMF-UHFFFAOYSA-N 0 1 456.542 2.298 50 0 JEAAMN CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CSc1nc(N)cc(N)n1 ZINC000009514298 555304801 /nfs/dbraw/zinc/30/48/01/555304801.db2.gz UBQHNKBQRUTKSU-UHFFFAOYSA-N 0 1 450.590 2.325 50 0 JEAAMN COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCc4ccccc43)[nH]c2=O)cc1 ZINC000009518110 555312225 /nfs/dbraw/zinc/31/22/25/555312225.db2.gz LVWSYGODTFQZMV-UHFFFAOYSA-N 0 1 451.508 2.294 50 0 JEAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000009540584 555333709 /nfs/dbraw/zinc/33/37/09/555333709.db2.gz DMOYSEUGGAKUBN-UHFFFAOYSA-N 0 1 461.521 2.396 50 0 JEAAMN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000009635340 555342551 /nfs/dbraw/zinc/34/25/51/555342551.db2.gz LIHGFONQWSWCAA-UHFFFAOYSA-N 0 1 468.553 2.457 50 0 JEAAMN CCOC(=O)C1C(COC(=O)c2[nH]c(C)c(C(=O)OC)c2C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000013165084 555367964 /nfs/dbraw/zinc/36/79/64/555367964.db2.gz HHECWAKNEKERLQ-LJQANCHMSA-N 0 1 455.467 2.446 50 0 JEAAMN Cn1c2cc(NS(=O)(=O)c3ccccc3Br)c(N3CCOCC3)cc2n(C)c1=O ZINC000013361266 555386662 /nfs/dbraw/zinc/38/66/62/555386662.db2.gz WKNYWQHUSKUQQE-UHFFFAOYSA-N 0 1 481.372 2.277 50 0 JEAAMN CCN(C(=O)CN1CCC[C@@H]1c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009671893 555392702 /nfs/dbraw/zinc/39/27/02/555392702.db2.gz QHYVPMIFQFHTLI-QGZVFWFLSA-N 0 1 453.568 2.419 50 0 JEAAMN C[C@@H]1C[C@H](C)CN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)C1 ZINC000009584818 555393991 /nfs/dbraw/zinc/39/39/91/555393991.db2.gz 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50 0 JEAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(C)C2=O)[C@@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]21 ZINC000169712910 569871580 /nfs/dbraw/zinc/87/15/80/569871580.db2.gz DEFJFUFALZXFTQ-IBSUQTTCSA-N 0 1 478.574 2.347 50 0 JEAAMN COC(=O)c1cc(C)sc1N1C(=O)[C@@H]2CN[C@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O ZINC000244998775 570054537 /nfs/dbraw/zinc/05/45/37/570054537.db2.gz KSVQAJLAFJINBI-GIQGCJHYSA-N 0 1 490.335 2.162 50 0 JEAAMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O ZINC000248322499 570077567 /nfs/dbraw/zinc/07/75/67/570077567.db2.gz WLSNEQRAVQHCFH-VOFKYMGDSA-N 0 1 493.585 2.322 50 0 JEAAMN COc1ccc([C@H](CC(=O)NCCNc2ncccn2)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263587423 570172168 /nfs/dbraw/zinc/17/21/68/570172168.db2.gz GUAUFASEUCORFO-INIZCTEOSA-N 0 1 484.509 2.220 50 0 JEAAMN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000001130916 194039190 /nfs/dbraw/zinc/03/91/90/194039190.db2.gz JDDRWWQEQNMSDS-UHFFFAOYSA-N 0 1 465.491 2.292 50 0 JEAAMN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 ZINC000004552298 194392203 /nfs/dbraw/zinc/39/22/03/194392203.db2.gz YNLHSCNDKQVZDZ-SFTDATJTSA-N 0 1 450.495 2.148 50 0 JEAAMN NC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)CC2)cc1 ZINC000009861550 195001810 /nfs/dbraw/zinc/00/18/10/195001810.db2.gz DDNCBZHYDCVCIV-NRFANRHFSA-N 0 1 488.610 2.123 50 0 JEAAMN CC(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)Oc2ccccc21 ZINC000009915516 195022824 /nfs/dbraw/zinc/02/28/24/195022824.db2.gz QDJKOVGMBPXXEO-LJQANCHMSA-N 0 1 453.480 2.030 50 0 JEAAMN C[C@@H](Sc1nnc2ccccn21)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000012631175 195063508 /nfs/dbraw/zinc/06/35/08/195063508.db2.gz WXYZDQIGPZTXFA-CYBMUJFWSA-N 0 1 455.525 2.439 50 0 JEAAMN Cc1c2c(ccc1Cl)[C@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N([C@H](C)c4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000020758448 195216747 /nfs/dbraw/zinc/21/67/47/195216747.db2.gz KNXFSFGRVXVEOJ-SMIMCYAMSA-N 0 1 480.952 2.396 50 0 biogenic JEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2ccccc21 ZINC000020760248 195217536 /nfs/dbraw/zinc/21/75/36/195217536.db2.gz KCYWLJXGKNZHBW-CQAGSAPUSA-N 0 1 458.518 2.168 50 0 biogenic JEAAMN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCN3CCN(C)CC3)CC2)c2cc(C)ccc2O1 ZINC000020902443 195241720 /nfs/dbraw/zinc/24/17/20/195241720.db2.gz GIRFDSGDTMTSSV-NRFANRHFSA-N 0 1 457.619 2.168 50 0 JEAAMN COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(Cc1ccc(C)cc1)CC2 ZINC000020996138 195264506 /nfs/dbraw/zinc/26/45/06/195264506.db2.gz RYCRGRKCYXMKNG-NRFANRHFSA-N 0 1 467.566 2.391 50 0 JEAAMN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000021052366 195272749 /nfs/dbraw/zinc/27/27/49/195272749.db2.gz SKSGBZQQOPYMTO-OAQYLSRUSA-N 0 1 464.657 2.380 50 0 JEAAMN O=C1CCCc2cc(S(=O)(=O)NCCCN3CCN(Cc4ccccc4)CC3)ccc2N1 ZINC000021888095 195325536 /nfs/dbraw/zinc/32/55/36/195325536.db2.gz JOUAWFUSCVIHGQ-UHFFFAOYSA-N 0 1 456.612 2.448 50 0 JEAAMN Cc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)c4cc(-c5cccnc5)[nH]n4)CC3)CC2=O)cc1C ZINC000096324897 130070989 /nfs/dbraw/zinc/07/09/89/130070989.db2.gz CFLQZSCBYWLMFV-HXUWFJFHSA-N 0 1 472.549 2.426 50 0 JEAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CCC(N)=O)N[C@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000020518358 518344047 /nfs/dbraw/zinc/34/40/47/518344047.db2.gz JBSPXJAOOCZBFC-NRGSMNHXSA-N 0 1 494.935 2.042 50 0 JEAAMN CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)C2)CC1 ZINC000033279232 519856283 /nfs/dbraw/zinc/85/62/83/519856283.db2.gz BMLMAUBHIUMFRK-INIZCTEOSA-N 0 1 467.617 2.061 50 0 JEAAMN CCCc1nc(SCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)n[nH]1 ZINC000014730460 521462781 /nfs/dbraw/zinc/46/27/81/521462781.db2.gz PKSRUJMZWDKKAZ-UHFFFAOYSA-N 0 1 450.590 2.440 50 0 JEAAMN CCCc1n[nH]c(SCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)n1 ZINC000014730460 521462789 /nfs/dbraw/zinc/46/27/89/521462789.db2.gz PKSRUJMZWDKKAZ-UHFFFAOYSA-N 0 1 450.590 2.440 50 0 JEAAMN CCCc1nnc(NC(=O)CSc2nc(-c3ccc4c(c3)OCO4)nc3cc(=O)[nH]n32)s1 ZINC000021537354 521561585 /nfs/dbraw/zinc/56/15/85/521561585.db2.gz XTCFOJUDLNMPMT-UHFFFAOYSA-N 0 1 471.524 2.348 50 0 JEAAMN CC[C@@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000033033947 522214621 /nfs/dbraw/zinc/21/46/21/522214621.db2.gz JKYNWVFZVRBRFL-MRXNPFEDSA-N 0 1 473.599 2.384 50 0 JEAAMN CN1CCN(CCN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCC2)CC1 ZINC000021864229 523902280 /nfs/dbraw/zinc/90/22/80/523902280.db2.gz NAJDJHUJZQTZGY-VWLOTQADSA-N 0 1 453.587 2.269 50 0 JEAAMN CN1CCN(CCNC(=O)c2ccc(NC(=O)c3nnc(COc4ccc(F)cc4)s3)cc2)CC1 ZINC000033032339 523903606 /nfs/dbraw/zinc/90/36/06/523903606.db2.gz HZVJKGULBCUUPF-UHFFFAOYSA-N 0 1 498.584 2.486 50 0 JEAAMN CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC[C@@H]3CCCO3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033700 524015939 /nfs/dbraw/zinc/01/59/39/524015939.db2.gz PMKNPZLXLOYRFY-FQEVSTJZSA-N 0 1 472.611 2.368 50 0 JEAAMN COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)Nc1cccc(NC(C)=O)c1 ZINC000013729321 524387100 /nfs/dbraw/zinc/38/71/00/524387100.db2.gz GKUHSEOXZBDGDH-UHFFFAOYSA-N 0 1 481.552 2.157 50 0 JEAAMN Cc1ccc(N(CC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)N(C)C)cc1 ZINC000033269475 524892587 /nfs/dbraw/zinc/89/25/87/524892587.db2.gz UPVGBXNZZYHWDS-UHFFFAOYSA-N 0 1 491.633 2.075 50 0 JEAAMN COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC(C)C)ccc2N2CC[NH2+]CC2)cc1OC ZINC000033033777 525078817 /nfs/dbraw/zinc/07/88/17/525078817.db2.gz ZTLMIAQVNXMHHB-UHFFFAOYSA-N 0 1 462.572 2.052 50 0 JEAAMN Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC[C@@H]3CCCO3)ccc2N2CC[NH2+]CC2)c(C)c1 ZINC000033033688 525592736 /nfs/dbraw/zinc/59/27/36/525592736.db2.gz GJYFTWUKYBFQHY-FQEVSTJZSA-N 0 1 472.611 2.423 50 0 JEAAMN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000022790455 526055800 /nfs/dbraw/zinc/05/58/00/526055800.db2.gz GVMZLEWJVAGVNJ-HXUWFJFHSA-N 0 1 480.634 2.352 50 0 JEAAMN O=C(NCCN1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1)c1ccc2c(c1)OCO2 ZINC000042384488 526313578 /nfs/dbraw/zinc/31/35/78/526313578.db2.gz SSANEAYUIYWTDO-UHFFFAOYSA-N 0 1 453.524 2.055 50 0 JEAAMN O=C(NC[C@@H]1CCCO1)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033033657 526520501 /nfs/dbraw/zinc/52/05/01/526520501.db2.gz GXFONSXTCDOUFH-SFHVURJKSA-N 0 1 479.002 2.459 50 0 JEAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)n1 ZINC000000942405 553877490 /nfs/dbraw/zinc/87/74/90/553877490.db2.gz JSRNFGRCNGJNSM-UHFFFAOYSA-N 0 1 465.491 2.129 50 0 JEAAMN COc1ccc(NC(=O)[C@H](CCSC)NC(N)=O)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000002636242 554256936 /nfs/dbraw/zinc/25/69/36/554256936.db2.gz CGLZKIIDJSGJIW-HNNXBMFYSA-N 0 1 470.548 2.364 50 0 JEAAMN O=C(CNC(=O)c1ccccc1Br)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000008778908 554675735 /nfs/dbraw/zinc/67/57/35/554675735.db2.gz RXJLZRNXGGYIKN-UHFFFAOYSA-N 0 1 490.339 2.408 50 0 JEAAMN O=C([O-])[C@H](Cc1ccccc1)NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000008791440 554684426 /nfs/dbraw/zinc/68/44/26/554684426.db2.gz LROUAROHCHYDKT-LEWJYISDSA-N 0 1 467.591 2.021 50 0 biogenic JEAAMN COc1ccccc1C(=O)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000008884449 554778848 /nfs/dbraw/zinc/77/88/48/554778848.db2.gz QUYVUGUABMKDGJ-KRWDZBQOSA-N 0 1 476.551 2.095 50 0 JEAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)CN3C(=O)CSc4ncccc43)CC2)c1 ZINC000008912883 554803863 /nfs/dbraw/zinc/80/38/63/554803863.db2.gz WMNULDDILLTXFF-UHFFFAOYSA-N 0 1 453.612 2.466 50 0 JEAAMN O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1cccc(F)c1 ZINC000009083385 554888521 /nfs/dbraw/zinc/88/85/21/554888521.db2.gz BFELBWMHLNQHCX-KRWDZBQOSA-N 0 1 499.586 2.238 50 0 JEAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000009095572 554893228 /nfs/dbraw/zinc/89/32/28/554893228.db2.gz NLZATAFXFMDTOW-UHFFFAOYSA-N 0 1 455.496 2.361 50 0 JEAAMN CN(C)c1ccc(C(c2c(O)nc3n(c2=O)CCCS3)c2c(O)nc3n(c2=O)CCCS3)cc1 ZINC000009183608 554956014 /nfs/dbraw/zinc/95/60/14/554956014.db2.gz GIMOVIFEMDQVRT-OAHLLOKOSA-N 0 1 499.618 2.449 50 0 JEAAMN CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)n2)cc1 ZINC000009184870 554956995 /nfs/dbraw/zinc/95/69/95/554956995.db2.gz FXPLQUJRKPUFSG-UHFFFAOYSA-N 0 1 492.517 2.474 50 0 JEAAMN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C1=O ZINC000009223038 554992928 /nfs/dbraw/zinc/99/29/28/554992928.db2.gz XBJONRIBRSPHPP-HSZRJFAPSA-N 0 1 494.533 2.073 50 0 JEAAMN CC(=O)Nc1nc(SCC(=O)Nc2nc(C)cs2)[nH]c(=O)c1NC(=O)c1ccccc1 ZINC000009518255 555312726 /nfs/dbraw/zinc/31/27/26/555312726.db2.gz FKLYMNNBTZANMF-UHFFFAOYSA-N 0 1 458.525 2.476 50 0 JEAAMN CCOC(=O)C1C(COC(=O)c2[nH]c(C)c(C(=O)OC)c2C)=NC(=O)N[C@H]1c1ccccc1 ZINC000013165085 555367886 /nfs/dbraw/zinc/36/78/86/555367886.db2.gz HHECWAKNEKERLQ-IBGZPJMESA-N 0 1 455.467 2.446 50 0 JEAAMN 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CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4CC)CC2)CC1 ZINC000065022160 519855154 /nfs/dbraw/zinc/85/51/54/519855154.db2.gz YXLXXSDYBZFVJB-UHFFFAOYSA-N 0 1 480.656 2.038 50 0 JEAAMN CCCN1CCN(C(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccccc4)s3)C2)CC1 ZINC000033263423 519856464 /nfs/dbraw/zinc/85/64/64/519856464.db2.gz KEFZIEZWMCERQJ-KRWDZBQOSA-N 0 1 470.599 2.197 50 0 JEAAMN CCCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020519032 520139649 /nfs/dbraw/zinc/13/96/49/520139649.db2.gz LPRMLAGVDUGSGE-UHFFFAOYSA-N 0 1 452.603 2.332 50 0 JEAAMN CCOC(=O)C1C(COC(=O)CCn2c3ccccc3n(C)c2=O)=NC(=O)N[C@@H]1c1ccccc1 ZINC000021735211 520520851 /nfs/dbraw/zinc/52/08/51/520520851.db2.gz OQFWPAQTOYEXBT-JOCHJYFZSA-N 0 1 478.505 2.145 50 0 JEAAMN CCN(CC)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000033033069 520551770 /nfs/dbraw/zinc/55/17/70/520551770.db2.gz CSZKNMZRPNDPAC-UHFFFAOYSA-N 0 1 473.599 2.337 50 0 JEAAMN 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CCc1ccc(CN2CCc3c(C(=O)NCCCn4ccnc4)c(OC)cc(=O)n3CC2)cc1 ZINC000014993675 523928609 /nfs/dbraw/zinc/92/86/09/523928609.db2.gz MXZUEIDCBNZTFB-UHFFFAOYSA-N 0 1 463.582 2.494 50 0 JEAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)C3CCN(c4ccc5nncn5n4)CC3)CC2)c1 ZINC000033260462 524126501 /nfs/dbraw/zinc/12/65/01/524126501.db2.gz IUXZQBGJJDUNHL-UHFFFAOYSA-N 0 1 476.629 2.286 50 0 JEAAMN Cc1cccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)NCCN4CCN(C)CC4)cc3)n2)c1 ZINC000033273513 524163283 /nfs/dbraw/zinc/16/32/83/524163283.db2.gz KJCCMLJMBDONBO-UHFFFAOYSA-N 0 1 490.608 2.337 50 0 JEAAMN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000022790449 524191598 /nfs/dbraw/zinc/19/15/98/524191598.db2.gz GVMZLEWJVAGVNJ-FQEVSTJZSA-N 0 1 480.634 2.352 50 0 JEAAMN COc1cccc([C@]2(CC(=O)N3CCN([C@H]4CCc5ccccc5C4)CC3)CC(=O)N(C)C2=O)c1 ZINC000014989430 524191922 /nfs/dbraw/zinc/19/19/22/524191922.db2.gz KXFQPBGLZMYRJB-NEKDWFFYSA-N 0 1 475.589 2.414 50 0 JEAAMN Cc1ccccc1S(=O)(=O)N(CC(=O)N1CCNCC1)Cc1ccc(Br)cc1 ZINC000045974839 525329161 /nfs/dbraw/zinc/32/91/61/525329161.db2.gz OIOSQNBQWYWJJO-UHFFFAOYSA-N 0 1 466.401 2.380 50 0 JEAAMN Cc1ccc(-n2nc(C(=O)NCCCN3CCN(Cc4ccccc4)CC3)c3ncn(C)c(=O)c32)cc1 ZINC000064998359 525924391 /nfs/dbraw/zinc/92/43/91/525924391.db2.gz WNCZHLZUYLNXQI-UHFFFAOYSA-N 0 1 499.619 2.365 50 0 JEAAMN Cc1csc(-c2cc(S(=O)(=O)NCCN3CCCC3)cn2CC(=O)N2CCCCC2)n1 ZINC000033307861 526299714 /nfs/dbraw/zinc/29/97/14/526299714.db2.gz YXCNSTGTSMEJTB-UHFFFAOYSA-N 0 1 465.645 2.307 50 0 JEAAMN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N1CCNCC1 ZINC000045974339 526697336 /nfs/dbraw/zinc/69/73/36/526697336.db2.gz BBEIJOUXDCSKPO-UHFFFAOYSA-N 0 1 466.401 2.114 50 0 JEAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)cc2)n1 ZINC000000954837 553882897 /nfs/dbraw/zinc/88/28/97/553882897.db2.gz PKLLIYQGPZMATE-UHFFFAOYSA-N 0 1 465.491 2.492 50 0 JEAAMN COc1cc2c(cc1OC)[C@@H](c1c([O-])[nH]c(=O)n(-c3ccc(Br)cc3)c1=O)[NH2+]CC2 ZINC000002129722 554059679 /nfs/dbraw/zinc/05/96/79/554059679.db2.gz ZWLPLTVHVCFZHQ-SFHVURJKSA-N 0 1 474.311 2.246 50 0 biogenic JEAAMN COc1ccc(OC)c(NC(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(=O)[nH]2)c1 ZINC000002712451 554297642 /nfs/dbraw/zinc/29/76/42/554297642.db2.gz COHAWHHSZVLRRN-UHFFFAOYSA-N 0 1 461.525 2.414 50 0 JEAAMN COc1ccccc1C(=O)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000008884452 554778893 /nfs/dbraw/zinc/77/88/93/554778893.db2.gz QUYVUGUABMKDGJ-QGZVFWFLSA-N 0 1 476.551 2.095 50 0 JEAAMN O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1cccc(F)c1 ZINC000009057873 554876967 /nfs/dbraw/zinc/87/69/67/554876967.db2.gz BFELBWMHLNQHCX-QGZVFWFLSA-N 0 1 499.586 2.238 50 0 JEAAMN COc1ccccc1-n1c(C)c(C)n2c1nc1c2c(=O)n(CCN2CCCCC2)c(=O)n1C ZINC000009128921 554926327 /nfs/dbraw/zinc/92/63/27/554926327.db2.gz LSUVTPFQCDKQPZ-UHFFFAOYSA-N 0 1 450.543 2.250 50 0 JEAAMN O=C1NC(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@@H]32)C(=O)N1CCc1ccccc1 ZINC000009242960 555017663 /nfs/dbraw/zinc/01/76/63/555017663.db2.gz CLZFNFFFJBOKQT-NFQMXDRXSA-N 0 1 485.544 2.307 50 0 JEAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000009245021 555020677 /nfs/dbraw/zinc/02/06/77/555020677.db2.gz OUXYAYDZHFVHCW-QGZVFWFLSA-N 0 1 451.508 2.265 50 0 JEAAMN O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccco1 ZINC000009284507 555057575 /nfs/dbraw/zinc/05/75/75/555057575.db2.gz UYDYPIXLUXSHIN-UHFFFAOYSA-N 0 1 472.475 2.325 50 0 JEAAMN Cc1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1S(=O)(=O)N1CCCCCC1 ZINC000009464223 555235849 /nfs/dbraw/zinc/23/58/49/555235849.db2.gz UTKMSIXJRJBHPT-UHFFFAOYSA-N 0 1 450.590 2.245 50 0 JEAAMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000009509478 555297223 /nfs/dbraw/zinc/29/72/23/555297223.db2.gz IKSFHUYTAKTLLT-UHFFFAOYSA-N 0 1 455.279 2.423 50 0 JEAAMN CCc1nnc(NC(=O)CSc2nc(NC(C)=O)c(NC(=O)c3cccs3)c(=O)[nH]2)s1 ZINC000009518283 555312918 /nfs/dbraw/zinc/31/29/18/555312918.db2.gz ZUOGWVOVTAQCEN-UHFFFAOYSA-N 0 1 479.569 2.187 50 0 JEAAMN CCN(C(=O)CN1CCC[C@H]1c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009671894 555392618 /nfs/dbraw/zinc/39/26/18/555392618.db2.gz QHYVPMIFQFHTLI-KRWDZBQOSA-N 0 1 453.568 2.419 50 0 JEAAMN Cc1ccc(CN2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccccc3F)CC2)cc1 ZINC000009714311 555442822 /nfs/dbraw/zinc/44/28/22/555442822.db2.gz WGCIGONZLNJHKD-UHFFFAOYSA-N 0 1 462.529 2.241 50 0 JEAAMN CCCCCOc1ccc([C@]2(C)C(=O)N(CN3CCOCC3)C(=O)[C@H]2CN2CCOCC2)cc1 ZINC000013510750 555482824 /nfs/dbraw/zinc/48/28/24/555482824.db2.gz ATZAZPYAUVYFQA-BVAGGSTKSA-N 0 1 473.614 2.120 50 0 JEAAMN CCCCCOc1ccc([C@@]2(C)C(=O)N(CN3CCOCC3)C(=O)[C@H]2CN2CCOCC2)cc1 ZINC000013510752 555482852 /nfs/dbraw/zinc/48/28/52/555482852.db2.gz ATZAZPYAUVYFQA-ZEQKJWHPSA-N 0 1 473.614 2.120 50 0 JEAAMN O=C(NCc1n[nH]c(=S)n1-c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000013523574 555486745 /nfs/dbraw/zinc/48/67/45/555486745.db2.gz OWFSYOWZTHMGPX-UHFFFAOYSA-N 0 1 477.543 2.020 50 0 JEAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)N[C@]32c3ccccc3NC2=O)cc1OC ZINC000013572094 555510694 /nfs/dbraw/zinc/51/06/94/555510694.db2.gz PMUBMKVTKCAKNX-OYSWMMLKSA-N 0 1 463.534 2.323 50 0 JEAAMN COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019925398 555540910 /nfs/dbraw/zinc/54/09/10/555540910.db2.gz CMRUOZXCCZSNSU-URXFXBBRSA-N 0 1 497.617 2.010 50 0 JEAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)c1 ZINC000013691206 555585513 /nfs/dbraw/zinc/58/55/13/555585513.db2.gz ZYMHGBNLQWWRGJ-UHFFFAOYSA-N 0 1 454.526 2.207 50 0 JEAAMN COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1 ZINC000013727525 555601279 /nfs/dbraw/zinc/60/12/79/555601279.db2.gz YCAIPXJNOHSFMK-UHFFFAOYSA-N 0 1 466.537 2.401 50 0 JEAAMN O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000010059732 555610585 /nfs/dbraw/zinc/61/05/85/555610585.db2.gz AWWXINUYJBXSTK-UHFFFAOYSA-N 0 1 460.537 2.221 50 0 JEAAMN C[C@H]1CN(C(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)C[C@H](C)O1 ZINC000010210950 555646040 /nfs/dbraw/zinc/64/60/40/555646040.db2.gz MXAJCXZBMQXXPP-HOTGVXAUSA-N 0 1 490.534 2.051 50 0 JEAAMN CCOC(=O)C1=C(CN(C)Cc2nc3ccsc3c(=O)[nH]2)NC(=O)N[C@@H]1c1ccccc1 ZINC000014017377 555671520 /nfs/dbraw/zinc/67/15/20/555671520.db2.gz BYQAGMWWMRTFHO-GOSISDBHSA-N 0 1 453.524 2.288 50 0 JEAAMN CCOC(=O)C1C(COC(=O)[C@H]2Cc3ccccc3C(=O)O2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000010418551 555706236 /nfs/dbraw/zinc/70/62/36/555706236.db2.gz VXGXFNCVQCPHJX-CTNGQTDRSA-N 0 1 480.473 2.191 50 0 JEAAMN CCOC(=O)C1C(COC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)=NC(=O)N[C@H]1c1ccccc1 ZINC000014227709 555735367 /nfs/dbraw/zinc/73/53/67/555735367.db2.gz WGLMZOIYVZHXFF-VLIAUNLRSA-N 0 1 477.473 2.086 50 0 JEAAMN CCOC(=O)C1C(COC(=O)CCN2C(=O)c3ccccc3C2=O)=NC(=O)N[C@H]1c1ccccc1 ZINC000014240844 555741585 /nfs/dbraw/zinc/74/15/85/555741585.db2.gz HJNMGYRGYMXBSZ-NRFANRHFSA-N 0 1 477.473 2.087 50 0 JEAAMN CCOC(=O)C1C(COC(=O)c2ccc3c(c2)nnn3CC)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000010857108 555743924 /nfs/dbraw/zinc/74/39/24/555743924.db2.gz WXHZJUXDECVEOY-OAQYLSRUSA-N 0 1 479.493 2.488 50 0 JEAAMN CC(C)CN1CCO[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 ZINC000014244806 555746893 /nfs/dbraw/zinc/74/68/93/555746893.db2.gz DEWDVACQZGUKSW-QHCPKHFHSA-N 0 1 477.671 2.439 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(c3ccccn3)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000020283686 555753125 /nfs/dbraw/zinc/75/31/25/555753125.db2.gz HACZLVVVBYGVAV-QFIPXVFZSA-N 0 1 481.553 2.092 50 0 JEAAMN Cc1ccc(CNCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1 ZINC000014360579 555798959 /nfs/dbraw/zinc/79/89/59/555798959.db2.gz DDTIRHPWDLFPNS-UHFFFAOYSA-N 0 1 472.611 2.344 50 0 JEAAMN CN1CCN(CCNC(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)CC1 ZINC000020565264 555819876 /nfs/dbraw/zinc/81/98/76/555819876.db2.gz BEBMVZGKYWFZOX-UHFFFAOYSA-N 0 1 454.600 2.132 50 0 JEAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)N[C@@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000020566506 555820491 /nfs/dbraw/zinc/82/04/91/555820491.db2.gz CFVUVCXNQXAHBL-OYSWMMLKSA-N 0 1 481.524 2.462 50 0 JEAAMN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000011858337 555838175 /nfs/dbraw/zinc/83/81/75/555838175.db2.gz KYKYGJDLUZNEKG-UHFFFAOYSA-N 0 1 475.342 2.325 50 0 JEAAMN COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(OCCO)cc2)CC3)c1 ZINC000011909742 555856677 /nfs/dbraw/zinc/85/66/77/555856677.db2.gz JPMICNXFVMITEA-SFHVURJKSA-N 0 1 465.554 2.207 50 0 JEAAMN CCOC(=O)C1C(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000022063277 555868392 /nfs/dbraw/zinc/86/83/92/555868392.db2.gz NKTHJFLVSHWDLJ-QVKFZJNVSA-N 0 1 472.567 2.198 50 0 JEAAMN COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(OC)cc2OC)CC3)o1 ZINC000011967449 555872596 /nfs/dbraw/zinc/87/25/96/555872596.db2.gz GGIJXGKLUXBLEP-UHFFFAOYSA-N 0 1 455.515 2.023 50 0 JEAAMN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000011997758 555879669 /nfs/dbraw/zinc/87/96/69/555879669.db2.gz LPPQJOUPSASDBU-FQEVSTJZSA-N 0 1 477.608 2.177 50 0 JEAAMN O=S(=O)(CCC1=Nc2ccc(S(=O)(=O)N3CCCCC3)cc2S(=O)(=O)N1)c1ccccc1 ZINC000015682394 555952214 /nfs/dbraw/zinc/95/22/14/555952214.db2.gz SDXPQGUMZKSVRX-UHFFFAOYSA-N 0 1 497.620 2.047 50 0 JEAAMN Cc1cc2n(n1)CCC(=O)N2CC(=O)NCCCN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000015728784 555969078 /nfs/dbraw/zinc/96/90/78/555969078.db2.gz OWEDEQFVAWPVPO-UHFFFAOYSA-N 0 1 458.994 2.219 50 0 JEAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000012528151 555996542 /nfs/dbraw/zinc/99/65/42/555996542.db2.gz ROMRXVJSWPZLMH-QHCPKHFHSA-N 0 1 455.946 2.498 50 0 JEAAMN COc1cccc(NC(=O)c2cc(-c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)n[nH]2)c1 ZINC000015860847 556032993 /nfs/dbraw/zinc/03/29/93/556032993.db2.gz BOKVJSHVYHUVCF-UHFFFAOYSA-N 0 1 472.523 2.367 50 0 JEAAMN Cc1ccc(-c2n[nH]c(SCC(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)n2)cc1 ZINC000015934735 556072177 /nfs/dbraw/zinc/07/21/77/556072177.db2.gz NJLQPCHCTVMVRY-UHFFFAOYSA-N 0 1 477.550 2.016 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(C(=O)c3ccco3)CC2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000015936306 556073864 /nfs/dbraw/zinc/07/38/64/556073864.db2.gz JFPZPXIOAGBDIF-FQEVSTJZSA-N 0 1 456.474 2.048 50 0 JEAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000015956835 556088771 /nfs/dbraw/zinc/08/87/71/556088771.db2.gz MKDNVSRAXSLRMW-HZNUMKHLSA-N 0 1 451.504 2.093 50 0 biogenic JEAAMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)N[C@]21C(=O)Nc2ccccc21 ZINC000015958365 556089849 /nfs/dbraw/zinc/08/98/49/556089849.db2.gz GOVOPBOLMZPCLW-DOGKRZLPSA-N 0 1 465.531 2.151 50 0 biogenic JEAAMN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2c1cccc2Cl ZINC000015970357 556096275 /nfs/dbraw/zinc/09/62/75/556096275.db2.gz ZRQRINDWSNDLFI-PUFAWVJESA-N 0 1 478.936 2.431 50 0 biogenic JEAAMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(N)=O)N[C@@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000016010250 556109908 /nfs/dbraw/zinc/10/99/08/556109908.db2.gz JBSPXJAOOCZBFC-UJAPCULTSA-N 0 1 494.935 2.042 50 0 JEAAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]31)C(=O)N2 ZINC000016011688 556110545 /nfs/dbraw/zinc/11/05/45/556110545.db2.gz NPAOAGODUNSGTM-XITLKHQFSA-N 0 1 487.343 2.492 50 0 JEAAMN CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(N)=O)N[C@@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000016012573 556111335 /nfs/dbraw/zinc/11/13/35/556111335.db2.gz SISNMOGMCWYMIA-UJAPCULTSA-N 0 1 480.952 2.401 50 0 JEAAMN CCCCOc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1 ZINC000024023280 556117048 /nfs/dbraw/zinc/11/70/48/556117048.db2.gz XFQUCILTENUDDY-UHFFFAOYSA-N 0 1 475.615 2.311 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(C(=O)OCC)CC2)=NC(=O)N[C@@H]1c1ccccc1OC(F)F ZINC000024528397 556134643 /nfs/dbraw/zinc/13/46/43/556134643.db2.gz SGZSJVMOTWRZQA-GOSISDBHSA-N 0 1 482.484 2.233 50 0 JEAAMN COc1ccc(CCn2c(=O)[nH]c([O-])c([C@@H]3[NH2+]CCc4c5cc(OC)ccc5[nH]c43)c2=O)cc1 ZINC000017028536 556207360 /nfs/dbraw/zinc/20/73/60/556207360.db2.gz GSRNOWMOYLBHLS-QFIPXVFZSA-N 0 1 462.506 2.219 50 0 biogenic JEAAMN COc1cc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)ccc1O ZINC000019742044 556364572 /nfs/dbraw/zinc/36/45/72/556364572.db2.gz LKILHDUQHWXEGY-UHFFFAOYSA-N 0 1 453.518 2.091 50 0 JEAAMN CCOc1cc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)ccc1OC ZINC000019744139 556365532 /nfs/dbraw/zinc/36/55/32/556365532.db2.gz BJSNMJOGBXUGQZ-UHFFFAOYSA-N 0 1 479.581 2.481 50 0 JEAAMN CCOC(=O)C1C(Cn2nc(-c3cccs3)oc2=O)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000031760914 556402723 /nfs/dbraw/zinc/40/27/23/556402723.db2.gz XIPIAPSGVQRYAO-QGZVFWFLSA-N 0 1 456.480 2.445 50 0 JEAAMN CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000032863577 556515221 /nfs/dbraw/zinc/51/52/21/556515221.db2.gz YBQLPPSLICBUKH-INIZCTEOSA-N 0 1 493.457 2.366 50 0 JEAAMN COC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057414473 569599645 /nfs/dbraw/zinc/59/96/45/569599645.db2.gz XGAGSOKMVYOHSM-DEOSSOPVSA-N 0 1 480.565 2.303 50 0 JEAAMN COC(=O)C1=C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000057414223 569599782 /nfs/dbraw/zinc/59/97/82/569599782.db2.gz SYTDQNSDNBHDBG-HSZRJFAPSA-N 0 1 464.522 2.014 50 0 JEAAMN COC(=O)C1=C(CN2CCN(c3cccc(OC)c3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414625 569599988 /nfs/dbraw/zinc/59/99/88/569599988.db2.gz JQWVUOUBDARWKT-HSZRJFAPSA-N 0 1 466.538 2.307 50 0 JEAAMN COC(=O)C1=C(CN2CCN(c3ccccc3OC)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057414844 569600184 /nfs/dbraw/zinc/60/01/84/569600184.db2.gz UXNWKLOABBARMA-QHCPKHFHSA-N 0 1 466.538 2.307 50 0 JEAAMN COC(=O)C1C(CN2CCN(C(=O)c3ccco3)CC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000057415125 569600552 /nfs/dbraw/zinc/60/05/52/569600552.db2.gz AUEBRRRSZZJGHK-LJQANCHMSA-N 0 1 458.902 2.172 50 0 JEAAMN O=C(CSc1nnnn1C1CC1)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000060365663 569608957 /nfs/dbraw/zinc/60/89/57/569608957.db2.gz URJRJFIMVPFNPF-UHFFFAOYSA-N 0 1 464.599 2.499 50 0 JEAAMN CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)N(Cc1noc(C3CCC3)n1)C(=O)CO2 ZINC000064450764 569617297 /nfs/dbraw/zinc/61/72/97/569617297.db2.gz CCJKZEVONPBROT-MRXNPFEDSA-N 0 1 475.571 2.025 50 0 JEAAMN CCCC[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4)CC3)co2)CC1 ZINC000034677737 569642148 /nfs/dbraw/zinc/64/21/48/569642148.db2.gz SXSZJZHBDOEBPG-JOCHJYFZSA-N 0 1 455.603 2.306 50 0 JEAAMN CCCC[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)co2)CC1 ZINC000034677715 569642191 /nfs/dbraw/zinc/64/21/91/569642191.db2.gz YZKSDRLXJLVOQB-JOCHJYFZSA-N 0 1 473.593 2.445 50 0 JEAAMN CCN1CCC[C@H]1CNS(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCOCC3)s2)n(C)c1C ZINC000065036121 569653009 /nfs/dbraw/zinc/65/30/09/569653009.db2.gz PQPWXKMUVCGUHN-KRWDZBQOSA-N 0 1 495.671 2.000 50 0 JEAAMN Cc1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)Nc1ccc(Cl)cn1 ZINC000065318993 569673433 /nfs/dbraw/zinc/67/34/33/569673433.db2.gz NAFBISPIOQHNCL-UHFFFAOYSA-N 0 1 463.903 2.367 50 0 JEAAMN Cc1cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc(N2CCOCC2)n1 ZINC000065361988 569675285 /nfs/dbraw/zinc/67/52/85/569675285.db2.gz LDXICASNXYIOCK-UHFFFAOYSA-N 0 1 453.568 2.286 50 0 JEAAMN COC(=O)C1C(CN2CC(=O)N(CCc3ccccc3)C(=O)C2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067689656 569689944 /nfs/dbraw/zinc/68/99/44/569689944.db2.gz GOQGGMKZIDTSIX-HSZRJFAPSA-N 0 1 496.951 2.035 50 0 JEAAMN COc1cc(C(=O)N(CCC(=O)N2CCNCC2)CCc2ccccc2)cc(OC)c1OC ZINC000035421700 569692338 /nfs/dbraw/zinc/69/23/38/569692338.db2.gz MATGRWIIERDEMD-UHFFFAOYSA-N 0 1 455.555 2.219 50 0 JEAAMN CS(=O)(=O)N1CCCc2ccc(NC(=O)C(=O)NCCN3CCC(c4cccs4)CC3)cc21 ZINC000077104331 569704899 /nfs/dbraw/zinc/70/48/99/569704899.db2.gz WJPFUZDJVLECCY-UHFFFAOYSA-N 0 1 490.651 2.395 50 0 JEAAMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1cn(C)c2ccccc12 ZINC000077171702 569704949 /nfs/dbraw/zinc/70/49/49/569704949.db2.gz AJAAJVWLLUTNKE-QHCPKHFHSA-N 0 1 497.621 2.248 50 0 JEAAMN CCOC(=O)N1CCN(C(=O)CN2CCC(COCc3cc(OC)cc(OC)c3)CC2)CC1 ZINC000077191418 569705135 /nfs/dbraw/zinc/70/51/35/569705135.db2.gz HVDPSTUZIVADFP-UHFFFAOYSA-N 0 1 463.575 2.233 50 0 JEAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CS(=O)(=O)Cc3ccccc3)cc2)n1 ZINC000035655076 569705889 /nfs/dbraw/zinc/70/58/89/569705889.db2.gz DGCDRPCXKUWJNP-UHFFFAOYSA-N 0 1 460.537 2.139 50 0 JEAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc(I)cc1 ZINC000096576748 569741552 /nfs/dbraw/zinc/74/15/52/569741552.db2.gz BDEVAMKFFXOVJO-UHFFFAOYSA-N 0 1 492.361 2.164 50 0 JEAAMN CCN1CCN(c2ncc(-c3cc(=O)[nH]c(N4CCN(c5ccccc5)CC4)n3)c(C)n2)CC1 ZINC000036235769 569757578 /nfs/dbraw/zinc/75/75/78/569757578.db2.gz YHIQAUJKENQSKU-UHFFFAOYSA-N 0 1 460.586 2.004 50 0 JEAAMN CCOC(=O)C1=C(CN2CCC[C@@H]2C(=O)NCc2ccco2)NC(=O)N[C@H]1c1ccccc1 ZINC000036393887 569774803 /nfs/dbraw/zinc/77/48/03/569774803.db2.gz QXXCIJHFCLBOQV-CTNGQTDRSA-N 0 1 452.511 2.232 50 0 JEAAMN COC(=O)C[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1F)C(=O)OC ZINC000036569531 569776572 /nfs/dbraw/zinc/77/65/72/569776572.db2.gz WZNRUXDZHKTIQN-RHSMWYFYSA-N 0 1 483.294 2.073 50 0 JEAAMN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(S(=O)(=O)NCC(F)(F)F)cc3)cc2o1 ZINC000040024730 569814143 /nfs/dbraw/zinc/81/41/43/569814143.db2.gz RSAVRDNKGHJQNB-UHFFFAOYSA-N 0 1 451.404 2.175 50 0 JEAAMN CC[C@H](CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C)N1CCc2ccccc2C1 ZINC000040081368 569815714 /nfs/dbraw/zinc/81/57/14/569815714.db2.gz GHDUKCINPVOTTD-OAQYLSRUSA-N 0 1 459.612 2.486 50 0 JEAAMN CC[C@@H](CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C)N1CCc2ccccc2C1 ZINC000040081366 569815721 /nfs/dbraw/zinc/81/57/21/569815721.db2.gz GHDUKCINPVOTTD-NRFANRHFSA-N 0 1 459.612 2.486 50 0 JEAAMN COCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4c3cccc4Cl)[C@H]2C1=O ZINC000247917697 570071196 /nfs/dbraw/zinc/07/11/96/570071196.db2.gz ZRQRINDWSNDLFI-OZAHESQGSA-N 0 1 478.936 2.431 50 0 JEAAMN CCOC(=O)C1=CNC(=O)C([C@H](CC(=O)NCCc2cnc[nH]2)c2ccc3c(c2)OCO3)C1=O ZINC000253496545 570100227 /nfs/dbraw/zinc/10/02/27/570100227.db2.gz MJBACCJQHPATSX-OAHLLOKOSA-N 0 1 468.466 2.002 50 0 JEAAMN COc1ccc([C@@H](CC(=O)N[C@@H]2CCSC2=O)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263586709 570171901 /nfs/dbraw/zinc/17/19/01/570171901.db2.gz XBVBCMICOWQVPL-ZIAGYGMSSA-N 0 1 463.508 2.350 50 0 biogenic JEAAMN COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2cccnc2)cc(OC)c1OC ZINC000001006981 194002015 /nfs/dbraw/zinc/00/20/15/194002015.db2.gz WHJGKYMUZBYMGY-DOXZYTNZSA-N 0 1 455.389 2.211 50 0 JEAAMN O=C(CNC(=O)Cn1ccc2ccccc2c1=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000004057188 194373215 /nfs/dbraw/zinc/37/32/15/194373215.db2.gz QXNDGEQWUVIXRO-UHFFFAOYSA-N 0 1 496.011 2.100 50 0 JEAAMN CCOC(=O)C[C@H](Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1Cl ZINC000004111148 194379635 /nfs/dbraw/zinc/37/96/35/194379635.db2.gz KZBGGLZPIXJGLN-SFHVURJKSA-N 0 1 476.965 2.305 50 0 JEAAMN Cn1c2nc(N3CCN(Cc4ccccc4)CC3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000012651998 195076587 /nfs/dbraw/zinc/07/65/87/195076587.db2.gz WXVPOUZYXUBBMW-UHFFFAOYSA-N 0 1 478.984 2.458 50 0 JEAAMN C[C@H]1CN(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C[C@H](C)O1 ZINC000012765724 195113357 /nfs/dbraw/zinc/11/33/57/195113357.db2.gz UKVWFXOCFMPDIN-OALUTQOASA-N 0 1 463.644 2.192 50 0 JEAAMN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000012779207 195123323 /nfs/dbraw/zinc/12/33/23/195123323.db2.gz AAZREDPBRXPJNX-LJQANCHMSA-N 0 1 472.611 2.355 50 0 JEAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CCN(C(C)=O)CC2)c1 ZINC000012813884 195145766 /nfs/dbraw/zinc/14/57/66/195145766.db2.gz ILKHSIBMRHPQRW-UHFFFAOYSA-N 0 1 451.932 2.454 50 0 JEAAMN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)CC2)c(C)c1 ZINC000012821859 195149871 /nfs/dbraw/zinc/14/98/71/195149871.db2.gz UCYLIRKYBBOUCA-JOCHJYFZSA-N 0 1 465.660 2.486 50 0 JEAAMN CCN(C(=O)CSc1nc(-c2ccccc2)n[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000021259573 195292425 /nfs/dbraw/zinc/29/24/25/195292425.db2.gz YBUCOBJMYZLACP-UHFFFAOYSA-N 0 1 477.550 2.097 50 0 JEAAMN COC(=O)C1=C(CN2CCN(c3cccc(OC)c3)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000057478299 195343561 /nfs/dbraw/zinc/34/35/61/195343561.db2.gz AXSFKGDJVUAYHW-HSZRJFAPSA-N 0 1 466.538 2.307 50 0 JEAAMN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000057478475 195343880 /nfs/dbraw/zinc/34/38/80/195343880.db2.gz VUXNARLDYRIESU-JOCHJYFZSA-N 0 1 466.538 2.471 50 0 JEAAMN Cc1ccc(C)n1C1CCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000058136778 195366277 /nfs/dbraw/zinc/36/62/77/195366277.db2.gz KWLZTWZOWGVKGF-UHFFFAOYSA-N 0 1 474.627 2.079 50 0 JEAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2)n1 ZINC000096437987 130080095 /nfs/dbraw/zinc/08/00/95/130080095.db2.gz ANTWLZRUDAYMAZ-KDURUIRLSA-N 0 1 485.566 2.398 50 0 JEAAMN CC(=O)Nc1ccc(C(=O)N(CC(=O)N2CCNCC2)Cc2ccc(Br)cc2)cc1 ZINC000033032804 519709477 /nfs/dbraw/zinc/70/94/77/519709477.db2.gz DBYUAKCZQZHIDC-UHFFFAOYSA-N 0 1 473.371 2.482 50 0 JEAAMN CC(C)OCCCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000045944842 519762169 /nfs/dbraw/zinc/76/21/69/519762169.db2.gz ZDKNKPAEATWOTF-UHFFFAOYSA-N 0 1 476.437 2.077 50 0 JEAAMN CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@H](CC)O4)C2)CC1 ZINC000035396641 519856380 /nfs/dbraw/zinc/85/63/80/519856380.db2.gz COBFPKNERPQGHK-QUCCMNQESA-N 0 1 492.642 2.059 50 0 JEAAMN CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(NC(=O)CC)cc2)c1 ZINC000033034213 519898602 /nfs/dbraw/zinc/89/86/02/519898602.db2.gz HUPHPDJBBYHAFK-UHFFFAOYSA-N 0 1 473.599 2.385 50 0 JEAAMN CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000033034201 519898938 /nfs/dbraw/zinc/89/89/38/519898938.db2.gz GDCPIFAADZJCTR-UHFFFAOYSA-N 0 1 462.572 2.054 50 0 JEAAMN 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CCOC(=O)C1C(CN2CCN(c3ccccn3)CC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414784 569600267 /nfs/dbraw/zinc/60/02/67/569600267.db2.gz PRFKABXIMAGEGX-JOCHJYFZSA-N 0 1 451.527 2.084 50 0 JEAAMN Cc1cc(C)n2nc(S[C@H](C)C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)nc2n1 ZINC000008725664 569600274 /nfs/dbraw/zinc/60/02/74/569600274.db2.gz AOAFGHNKOGZGMQ-CQSZACIVSA-N 0 1 484.567 2.451 50 0 JEAAMN COc1ccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000008725674 569600280 /nfs/dbraw/zinc/60/02/80/569600280.db2.gz ZTRQTNOVLJRPBE-UHFFFAOYSA-N 0 1 498.492 2.277 50 0 JEAAMN CCOc1ccc([C@@H]2NC(=O)NC(CN3CCN(C(=O)OC(C)(C)C)CC3)=C2C(=O)OC)cc1 ZINC000057415435 569600836 /nfs/dbraw/zinc/60/08/36/569600836.db2.gz PBJZGSPDLLWRMG-FQEVSTJZSA-N 0 1 474.558 2.419 50 0 JEAAMN CCN1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)N(Cc1noc(C3CCC3)n1)C(=O)CO2 ZINC000064450765 569617388 /nfs/dbraw/zinc/61/73/88/569617388.db2.gz CCJKZEVONPBROT-INIZCTEOSA-N 0 1 475.571 2.025 50 0 JEAAMN CCOC(=O)Cn1c2ccc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)cc2oc1=O ZINC000064818815 569635392 /nfs/dbraw/zinc/63/53/92/569635392.db2.gz PPHTZZPYJLHRIO-UHFFFAOYSA-N 0 1 473.551 2.101 50 0 JEAAMN Cc1onc2c1c(C)nn(CC(=O)NCCCN1CCN(c3cc(Cl)ccc3C)CC1)c2=O ZINC000064842326 569637604 /nfs/dbraw/zinc/63/76/04/569637604.db2.gz YJGFMIIUEWDLEK-UHFFFAOYSA-N 0 1 472.977 2.292 50 0 JEAAMN Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000065025166 569650353 /nfs/dbraw/zinc/65/03/53/569650353.db2.gz KUHSZABSJHOQSK-UHFFFAOYSA-N 0 1 457.600 2.473 50 0 JEAAMN Cc1cc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)nc(N2CCOCC2)n1 ZINC000065365280 569675381 /nfs/dbraw/zinc/67/53/81/569675381.db2.gz VEWNPIXRKYJNRK-UHFFFAOYSA-N 0 1 471.505 2.151 50 0 JEAAMN CCOC(=O)C1C(CN2CCC3(CC2)OCCO3)=NC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000067286164 569683778 /nfs/dbraw/zinc/68/37/78/569683778.db2.gz QSEVRXYJUCZOBK-GOSISDBHSA-N 0 1 480.359 2.459 50 0 JEAAMN CCOC(=O)C1C(CN2CCC3(CC2)OCCO3)=NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 ZINC000067286694 569684170 /nfs/dbraw/zinc/68/41/70/569684170.db2.gz IUFBYQVZUNQGOH-NRFANRHFSA-N 0 1 475.542 2.104 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(C(=O)OCC)CC2)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067287041 569684299 /nfs/dbraw/zinc/68/42/99/569684299.db2.gz XSFKETKERMMEGW-LJQANCHMSA-N 0 1 462.572 2.354 50 0 JEAAMN NC(=O)C1(N2CCCCC2)CCN(c2ncc(C(=O)NCc3ccc(F)c(Cl)c3)c(N)n2)CC1 ZINC000067336467 569687643 /nfs/dbraw/zinc/68/76/43/569687643.db2.gz NXFZSMBNGDKVNT-UHFFFAOYSA-N 0 1 489.983 2.092 50 0 JEAAMN CN1CCN(c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc2)CC1 ZINC000067620660 569688771 /nfs/dbraw/zinc/68/87/71/569688771.db2.gz DDPRKTLGXMSQGK-UHFFFAOYSA-N 0 1 479.002 2.365 50 0 JEAAMN COC(=O)C1C(CN2CCN(c3cccc(OC)c3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067689565 569689523 /nfs/dbraw/zinc/68/95/23/569689523.db2.gz TUZYZGGMIKPMGN-XMMPIXPASA-N 0 1 496.564 2.316 50 0 JEAAMN COC(=O)C1C(CN2CCN(c3ccccc3OC)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067689562 569689531 /nfs/dbraw/zinc/68/95/31/569689531.db2.gz OHSOGLDPNYAMIB-DEOSSOPVSA-N 0 1 496.564 2.316 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(C(=O)c3ccco3)CC2)=NC(=O)N[C@H]1c1ccccc1OCC ZINC000067689747 569690284 /nfs/dbraw/zinc/69/02/84/569690284.db2.gz MDALUFZVQKYRJJ-QFIPXVFZSA-N 0 1 482.537 2.307 50 0 JEAAMN O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1)N1CCCC1 ZINC000071765048 569697370 /nfs/dbraw/zinc/69/73/70/569697370.db2.gz AMDUZJMRVNUXCM-UHFFFAOYSA-N 0 1 458.359 2.492 50 0 JEAAMN CCOC(=O)C1C(COC(=O)[C@H]2CSCCS2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000078239593 569706162 /nfs/dbraw/zinc/70/61/62/569706162.db2.gz KTFSIYQTJCSVIK-WBVHZDCISA-N 0 1 452.554 2.258 50 0 JEAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC(=O)N1CCOCC1 ZINC000085651839 569713456 /nfs/dbraw/zinc/71/34/56/569713456.db2.gz AVOLIHKFDNZOSV-UHFFFAOYSA-N 0 1 497.982 2.385 50 0 JEAAMN COc1ccccc1N1CCN(C(=O)Cn2cc(OC)c(=O)cc2CN2CCCCC2)CC1 ZINC000095476045 569724389 /nfs/dbraw/zinc/72/43/89/569724389.db2.gz JQFDYOIIBHJHAI-UHFFFAOYSA-N 0 1 454.571 2.200 50 0 JEAAMN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccnc(C)n2)c1 ZINC000040146570 569818257 /nfs/dbraw/zinc/81/82/57/569818257.db2.gz NTKRCQLDAXCUDR-UHFFFAOYSA-N 0 1 460.604 2.210 50 0 JEAAMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@H](C)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)C1=O ZINC000245255193 570059860 /nfs/dbraw/zinc/05/98/60/570059860.db2.gz GAAPDSWHBIEVAT-RWJXWUDYSA-N 0 1 467.909 2.243 50 0 JEAAMN CCOC(=O)C1=CNC(=O)C([C@@H](CC(=O)NCCc2cnc[nH]2)c2ccc(OC)cc2)C1=O ZINC000253496556 570100221 /nfs/dbraw/zinc/10/02/21/570100221.db2.gz OJTKHOKDVNCRKT-KRWDZBQOSA-N 0 1 454.483 2.282 50 0 JEAAMN O=C(CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NCCC[NH+]1CCOCC1 ZINC000002973731 194190106 /nfs/dbraw/zinc/19/01/06/194190106.db2.gz KUURWFLYEXOITP-UHFFFAOYSA-N 0 1 469.405 2.440 50 0 JEAAMN CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000003343502 194291850 /nfs/dbraw/zinc/29/18/50/194291850.db2.gz APIYEPLGYPSAPO-JTQLQIEISA-N 0 1 457.867 2.281 50 0 JEAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000003400745 194312638 /nfs/dbraw/zinc/31/26/38/194312638.db2.gz MJAGUXCQKIJETP-UHFFFAOYSA-N 0 1 475.548 2.073 50 0 JEAAMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000004482458 194390770 /nfs/dbraw/zinc/39/07/70/194390770.db2.gz UNBYXIODLHBJIW-GMAHTHKFSA-N 0 1 491.635 2.013 50 0 JEAAMN CC(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)Oc2ccccc21 ZINC000009915517 195022866 /nfs/dbraw/zinc/02/28/66/195022866.db2.gz QDJKOVGMBPXXEO-IBGZPJMESA-N 0 1 453.480 2.030 50 0 JEAAMN CCOC(=O)C1C(COC(=O)c2cn3ccccc3n2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000012604170 195049085 /nfs/dbraw/zinc/04/90/85/195049085.db2.gz RZLPQOKUQKUMEI-FQEVSTJZSA-N 0 1 450.451 2.371 50 0 JEAAMN CN1CCN(c2ccc(NC(=O)CCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cn2)CC1 ZINC000012614113 195054678 /nfs/dbraw/zinc/05/46/78/195054678.db2.gz PIRKVWJKKTTXIF-UHFFFAOYSA-N 0 1 487.504 2.039 50 0 JEAAMN COc1ccc2nc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)[nH]c2c1 ZINC000012627536 195060096 /nfs/dbraw/zinc/06/00/96/195060096.db2.gz KZEQIYAYHJSOPD-UHFFFAOYSA-N 0 1 482.534 2.475 50 0 JEAAMN Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000020664123 195197389 /nfs/dbraw/zinc/19/73/89/195197389.db2.gz QHWPDGJEUBYWIA-UHFFFAOYSA-N 0 1 490.395 2.109 50 0 JEAAMN COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F)C(=O)OC ZINC000020744421 195214823 /nfs/dbraw/zinc/21/48/23/195214823.db2.gz JHTSGPSOJNLFAS-YJBOKZPZSA-N 0 1 452.870 2.354 50 0 JEAAMN CCOC(=O)c1ccc(-n2c(=O)[nH]c(=O)c([C@H]3[NH2+]CCc4c5cc(OC)ccc5[nH]c43)c2[O-])cc1 ZINC000020756343 195215850 /nfs/dbraw/zinc/21/58/50/195215850.db2.gz CSJPZXNBOSNJRE-OAQYLSRUSA-N 0 1 476.489 2.133 50 0 biogenic JEAAMN CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCN3CCN(C)CC3)CC2)c2cc(C)ccc2O1 ZINC000020902441 195241795 /nfs/dbraw/zinc/24/17/95/195241795.db2.gz GIRFDSGDTMTSSV-OAQYLSRUSA-N 0 1 457.619 2.168 50 0 JEAAMN 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MLYXWAVPHOEDQY-SFHVURJKSA-N 0 1 455.603 2.028 50 0 JEAAMN COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(OC)c(C)c2OC)CC3)o1 ZINC000023130151 556019216 /nfs/dbraw/zinc/01/92/16/556019216.db2.gz CUSQOPTVLDBZGI-UHFFFAOYSA-N 0 1 469.542 2.331 50 0 JEAAMN CN1CCN(c2ccc(NC(=O)c3cccc(N4C(=O)C(C)(C)CS4(=O)=O)c3)cc2)CC1 ZINC000015858678 556025745 /nfs/dbraw/zinc/02/57/45/556025745.db2.gz VOASPGOMMZIPBX-UHFFFAOYSA-N 0 1 456.568 2.393 50 0 JEAAMN Cc1csc(SCC(=O)N2CCOc3ccc(CN4CCN(CCO)CC4)cc3C2)n1 ZINC000023340467 556047629 /nfs/dbraw/zinc/04/76/29/556047629.db2.gz QRJQOYBLLQLFHN-UHFFFAOYSA-N 0 1 462.641 2.075 50 0 JEAAMN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000023674616 556083017 /nfs/dbraw/zinc/08/30/17/556083017.db2.gz KDPGMMMUWCJFLH-UHFFFAOYSA-N 0 1 469.552 2.374 50 0 JEAAMN CCN(C(=O)CSc1nc(-c2cccs2)n[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012590376 556086355 /nfs/dbraw/zinc/08/63/55/556086355.db2.gz ICKVQVGUDVWNRV-UHFFFAOYSA-N 0 1 483.579 2.159 50 0 JEAAMN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000015970075 556095951 /nfs/dbraw/zinc/09/59/51/556095951.db2.gz VKYRPVHFSWQZTP-PDFGSZSQSA-N 0 1 478.936 2.431 50 0 biogenic JEAAMN NC(=O)CC[C@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000016012952 556111679 /nfs/dbraw/zinc/11/16/79/556111679.db2.gz OLWPECOOXQOAQE-SAQZZPNQSA-N 0 1 487.343 2.180 50 0 JEAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)N[C@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000016024727 556115323 /nfs/dbraw/zinc/11/53/23/556115323.db2.gz CFVUVCXNQXAHBL-YGWSKSRPSA-N 0 1 481.524 2.462 50 0 JEAAMN C[C@H]1N[C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016025272 556116364 /nfs/dbraw/zinc/11/63/64/556116364.db2.gz NDMTYJSLHZTMPI-LDVYWZEYSA-N 0 1 454.324 2.432 50 0 JEAAMN CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000016042999 556122528 /nfs/dbraw/zinc/12/25/28/556122528.db2.gz YAINMRPRKATJFM-IMIIHFCZSA-N 0 1 459.502 2.458 50 0 biogenic JEAAMN Cc1nc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)sc1CC(N)=O ZINC000024901939 556162761 /nfs/dbraw/zinc/16/27/61/556162761.db2.gz ANNHKVPXYIUSDS-LBPRGKRZSA-N 0 1 492.608 2.189 50 0 JEAAMN Cc1nc2ccc(S(=O)(=O)N3CCN(c4nc(C)cc(N5CCOCC5)n4)CC3)cc2s1 ZINC000017012833 556203136 /nfs/dbraw/zinc/20/31/36/556203136.db2.gz ISSNUJCSIKUUSW-UHFFFAOYSA-N 0 1 474.612 2.051 50 0 JEAAMN CN1CCN(c2ccc(NC(=O)CCNS(=O)(=O)c3ccccc3C(F)(F)F)cn2)CC1 ZINC000025325255 556208761 /nfs/dbraw/zinc/20/87/61/556208761.db2.gz QUHXGEAXVXYSHR-UHFFFAOYSA-N 0 1 471.505 2.159 50 0 JEAAMN COC(=O)[C@@H]1c2sc(=O)[nH]c2S[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 ZINC000013017264 556209284 /nfs/dbraw/zinc/20/92/84/556209284.db2.gz IVWIRFXXLFTTTL-YWVKMMECSA-N 0 1 455.311 2.119 50 0 JEAAMN COc1ccc(NC(=O)CNCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000025397725 556213312 /nfs/dbraw/zinc/21/33/12/556213312.db2.gz YYRGRRCORRXUAX-UHFFFAOYSA-N 0 1 453.948 2.098 50 0 JEAAMN COCCCN(C(=O)CN1CCC[C@H]1c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013032142 556230592 /nfs/dbraw/zinc/23/05/92/556230592.db2.gz MJXORZRKLCZFAX-IBGZPJMESA-N 0 1 497.621 2.435 50 0 JEAAMN CN(C)[C@H](CNC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1cccs1 ZINC000025777614 556233530 /nfs/dbraw/zinc/23/35/30/556233530.db2.gz GYUJYFFNODBTEE-OAHLLOKOSA-N 0 1 457.383 2.320 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(C(=O)OC(C)(C)C)CC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000026911934 556265890 /nfs/dbraw/zinc/26/58/90/556265890.db2.gz OWRGSODMVXEVSI-FQEVSTJZSA-N 0 1 474.558 2.419 50 0 JEAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(OCC(N)=O)c2)c1 ZINC000030564438 556366996 /nfs/dbraw/zinc/36/69/96/556366996.db2.gz NHLYENFIQJVAOS-UHFFFAOYSA-N 0 1 471.491 2.318 50 0 JEAAMN C[NH+](C)CCNC(=O)CN1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(OCc4ccccc4)ccc32)CC1 ZINC000031814365 556407162 /nfs/dbraw/zinc/40/71/62/556407162.db2.gz MVASTYPHJYFOQM-SANMLTNESA-N 0 1 493.608 2.168 50 0 JEAAMN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000032870789 556517839 /nfs/dbraw/zinc/51/78/39/556517839.db2.gz AVGWMXOEZKDHBW-LJQANCHMSA-N 0 1 468.510 2.365 50 0 JEAAMN CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCOCC3)c(=O)c2c1 ZINC000006181342 569588409 /nfs/dbraw/zinc/58/84/09/569588409.db2.gz WQYKOZKTTIWIRT-UHFFFAOYSA-N 0 1 459.499 2.355 50 0 JEAAMN O=C(CN1CCN(C(=O)CN2CCC[C@H](c3nc4ccccc4s3)C2)CC1)N1CCCC1 ZINC000008727519 569601104 /nfs/dbraw/zinc/60/11/04/569601104.db2.gz GXRCPDRFLYEIQO-IBGZPJMESA-N 0 1 455.628 2.242 50 0 JEAAMN COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CCC(N)=O)N[C@@]23c2cc(Cl)ccc2NC3=O)c1 ZINC000059489217 569605706 /nfs/dbraw/zinc/60/57/06/569605706.db2.gz QUHJTUQGXNKLPX-LZDDTZTRSA-N 0 1 472.929 2.387 50 0 biogenic JEAAMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)ccc1Br ZINC000062566577 569611171 /nfs/dbraw/zinc/61/11/71/569611171.db2.gz LLIFKHMCJAEGEC-UHFFFAOYSA-N 0 1 489.369 2.477 50 0 JEAAMN Cc1nnc2ccc(N3CCC(C(=O)NCCCN4CCN(c5ccc(F)cc5)CC4)CC3)nn12 ZINC000033009979 569616470 /nfs/dbraw/zinc/61/64/70/569616470.db2.gz YNJHBGPPJOZEIA-UHFFFAOYSA-N 0 1 480.592 2.117 50 0 JEAAMN CCc1ccccc1N1CCN(C(=O)c2coc(CN3CCN(C[C@@H](O)CC)CC3)n2)CC1 ZINC000034677795 569642150 /nfs/dbraw/zinc/64/21/50/569642150.db2.gz COOARQZBWDPRBQ-NRFANRHFSA-N 0 1 455.603 2.088 50 0 JEAAMN O=C(c1coc(CN2CCN(C[C@H](O)c3ccccc3)CC2)n1)N1CCN(C2CCCC2)CC1 ZINC000034677813 569642158 /nfs/dbraw/zinc/64/21/58/569642158.db2.gz RIELEMRWXDQMAO-DEOSSOPVSA-N 0 1 467.614 2.226 50 0 JEAAMN COc1cccc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCOCC4)n3)sc2C)c1 ZINC000065097691 569661482 /nfs/dbraw/zinc/66/14/82/569661482.db2.gz XCVCVGBKBMOARK-UHFFFAOYSA-N 0 1 464.525 2.388 50 0 JEAAMN CCOc1cc([C@H]2NC(=O)N=C(CN3CCN(c4cccc(OC)c4)CC3)C2C(=O)OC)ccc1O ZINC000067285725 569683546 /nfs/dbraw/zinc/68/35/46/569683546.db2.gz HIEIKSFLHDJSMD-XMMPIXPASA-N 0 1 496.564 2.403 50 0 JEAAMN CCOC(=O)C1C(CN2CCC[C@H](C(=O)OCC)C2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067285865 569683579 /nfs/dbraw/zinc/68/35/79/569683579.db2.gz HULNCYQQVATLIX-KKSFZXQISA-N 0 1 475.542 2.150 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(c3ncccn3)CC2)=NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067287035 569684367 /nfs/dbraw/zinc/68/43/67/569684367.db2.gz BHHHBWIBQOTIQA-FQEVSTJZSA-N 0 1 468.583 2.192 50 0 JEAAMN COC(=O)C1C(CN2CCN(c3ccccc3F)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067689568 569689573 /nfs/dbraw/zinc/68/95/73/569689573.db2.gz DFPBKZMJQNTVCA-HSZRJFAPSA-N 0 1 484.528 2.446 50 0 JEAAMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1cn(C)c2ccccc12 ZINC000077171701 569704934 /nfs/dbraw/zinc/70/49/34/569704934.db2.gz AJAAJVWLLUTNKE-HSZRJFAPSA-N 0 1 497.621 2.248 50 0 JEAAMN Cc1onc2c1c(C)nn(CCC(=O)NCCCN1CCN(c3cccc(Cl)c3)CC1)c2=O ZINC000085602524 569711123 /nfs/dbraw/zinc/71/11/23/569711123.db2.gz DQDGIABARNAYNB-UHFFFAOYSA-N 0 1 472.977 2.373 50 0 JEAAMN O=c1cc(CSc2nnnn2-c2ccccc2)nc(N2CCN(Cc3ccccc3)CC2)[nH]1 ZINC000095908277 569729462 /nfs/dbraw/zinc/72/94/62/569729462.db2.gz OUTALHNIGJEXED-UHFFFAOYSA-N 0 1 460.567 2.360 50 0 JEAAMN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2c1cc(C)cc2C ZINC000100778145 569769701 /nfs/dbraw/zinc/76/97/01/569769701.db2.gz KAMZZEXAJMOTQQ-JLFWUPFSSA-N 0 1 472.545 2.394 50 0 biogenic JEAAMN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2c1cc(C)cc2C ZINC000100778147 569769737 /nfs/dbraw/zinc/76/97/37/569769737.db2.gz KAMZZEXAJMOTQQ-RJESQKRESA-N 0 1 472.545 2.394 50 0 biogenic JEAAMN COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1F)C(=O)OC ZINC000036580057 569776962 /nfs/dbraw/zinc/77/69/62/569776962.db2.gz JHTSGPSOJNLFAS-CRAIPNDOSA-N 0 1 452.870 2.354 50 0 JEAAMN COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F)C(=O)OC ZINC000036580056 569776983 /nfs/dbraw/zinc/77/69/83/569776983.db2.gz JHTSGPSOJNLFAS-QAPCUYQASA-N 0 1 452.870 2.354 50 0 JEAAMN CCOc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccccc4OC)c3O)=NN2C(C)=O)cc1 ZINC000101456350 569798151 /nfs/dbraw/zinc/79/81/51/569798151.db2.gz YEZSLQKRBCCWLP-LJQANCHMSA-N 0 1 464.478 2.336 50 0 JEAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CC(=O)N4CCN(c5ccccn5)CC4)c3=O)c2c1 ZINC000101497674 569800910 /nfs/dbraw/zinc/80/09/10/569800910.db2.gz BAZNKNBVBUDFQT-UHFFFAOYSA-N 0 1 450.524 2.293 50 0 JEAAMN CC(C)CN1CCO[C@@H](CNC(=O)[C@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)C1 ZINC000040043383 569814763 /nfs/dbraw/zinc/81/47/63/569814763.db2.gz WDIPWTFMZXWCTK-PKOBYXMFSA-N 0 1 490.464 2.225 50 0 JEAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(F)cc3)C[C@H]1[C@H](C(=O)NCCN1CCOCC1)C2 ZINC000230138084 570045747 /nfs/dbraw/zinc/04/57/47/570045747.db2.gz LSSUJETVJNYDPK-RSXGOPAZSA-N 0 1 482.600 2.146 50 0 JEAAMN COC(=O)[C@@H]1c2sc(=O)[nH]c2S[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 ZINC000245225731 570054896 /nfs/dbraw/zinc/05/48/96/570054896.db2.gz IVWIRFXXLFTTTL-QXEWZRGKSA-N 0 1 455.311 2.119 50 0 JEAAMN CCOC(=O)C[C@]12C(=O)NCCN1[C@H](c1ccc(C)cc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000245318922 570064116 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CCOc1ccccc1[C@H]1NC(=O)N=C(CN2CCN(C(=O)OC(C)(C)C)CC2)C1C(=O)OC ZINC000057415784 569601180 /nfs/dbraw/zinc/60/11/80/569601180.db2.gz NZGAKUDWVUNJQP-HXUWFJFHSA-N 0 1 474.558 2.419 50 0 JEAAMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008734755 569601753 /nfs/dbraw/zinc/60/17/53/569601753.db2.gz BIBHGUKCQDCFEJ-GHTZIAJQSA-N 0 1 499.699 2.326 50 0 JEAAMN O=C(COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000062625759 569613479 /nfs/dbraw/zinc/61/34/79/569613479.db2.gz DZUCUTUTQRYBRB-LBPRGKRZSA-N 0 1 493.390 2.476 50 0 JEAAMN Cc1ccnc(NS(=O)(=O)c2ccc3c(c2)N(Cc2noc(C4CCC4)n2)C(=O)CO3)c1 ZINC000064450754 569617365 /nfs/dbraw/zinc/61/73/65/569617365.db2.gz NINIDLWXQURQLQ-UHFFFAOYSA-N 0 1 455.496 2.767 50 0 JEAAMN CCN1CCN(c2ccc(N3CCC[C@H](C(=O)N4CCN(c5ccccc5)CC4)C3)nn2)CC1 ZINC000033261547 569621911 /nfs/dbraw/zinc/62/19/11/569621911.db2.gz SRAZHWMUMVDLCV-QFIPXVFZSA-N 0 1 463.630 2.184 50 0 JEAAMN CCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cnc1N1CC[NH2+]CC1 ZINC000065025211 569650246 /nfs/dbraw/zinc/65/02/46/569650246.db2.gz CQGHOEVFIXXGLE-UHFFFAOYSA-N 0 1 457.600 2.311 50 0 JEAAMN CCCc1ccc(S(=O)(=O)[N-]c2cnc(N3CC[NH2+]CC3)c(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000065025293 569650686 /nfs/dbraw/zinc/65/06/86/569650686.db2.gz BQEDPPWFCXWAQE-HXUWFJFHSA-N 0 1 487.626 2.153 50 0 JEAAMN Cc1nc(-c2cc(S(=O)(=O)NCCN(C)C)c(C)n2C)sc1C(=O)N1CCC(C)CC1 ZINC000065036174 569653113 /nfs/dbraw/zinc/65/31/13/569653113.db2.gz KEZNCJINWCDDPD-UHFFFAOYSA-N 0 1 467.661 2.477 50 0 JEAAMN CCOC(=O)C1=C(CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)NC(=O)N[C@H]1c1ccccc1 ZINC000034870182 569668275 /nfs/dbraw/zinc/66/82/75/569668275.db2.gz MXMIMHXETXILPR-UTKZUKDTSA-N 0 1 473.551 2.140 50 0 JEAAMN COc1ccccc1NS(=O)(=O)c1cc(-c2noc(C(=O)N3CCOCC3)n2)ccc1C ZINC000065319059 569673566 /nfs/dbraw/zinc/67/35/66/569673566.db2.gz BJWKCVIYDFBDBG-UHFFFAOYSA-N 0 1 458.496 2.327 50 0 JEAAMN 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/nfs/dbraw/zinc/77/41/61/569774161.db2.gz KETDSZGRBRXCPM-UHFFFAOYSA-N 0 1 455.628 2.242 50 0 JEAAMN COC(=O)C[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1Cl)C(=O)OC ZINC000036576485 569776817 /nfs/dbraw/zinc/77/68/17/569776817.db2.gz HTZWRPJBXAZPOU-PBHICJAKSA-N 0 1 455.298 2.478 50 0 JEAAMN CCOc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=O)n(-c3ccccc3OC)c2O)=NN1C(C)=O ZINC000101456876 569798353 /nfs/dbraw/zinc/79/83/53/569798353.db2.gz PQCUZLYJMOTZLN-GOSISDBHSA-N 0 1 464.478 2.336 50 0 JEAAMN CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3ccccc3OC)c2O)C[C@@H]1c1ccc(OC)cc1OC ZINC000101765383 569804431 /nfs/dbraw/zinc/80/44/31/569804431.db2.gz STXPPRVCYRCNCD-GOSISDBHSA-N 0 1 494.504 2.345 50 0 JEAAMN COC(=O)C[C@@H](c1ccc(OCCN2CCCC2=O)cc1)c1c(O)nc2ccccn2c1=O ZINC000205956827 569874541 /nfs/dbraw/zinc/87/45/41/569874541.db2.gz JTYILAUHYYFCFT-SFHVURJKSA-N 0 1 451.479 2.096 50 0 JEAAMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@H](C)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)C1=O ZINC000245255190 570059834 /nfs/dbraw/zinc/05/98/34/570059834.db2.gz GAAPDSWHBIEVAT-ALCBUZAKSA-N 0 1 467.909 2.243 50 0 JEAAMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O ZINC000248322496 570077555 /nfs/dbraw/zinc/07/75/55/570077555.db2.gz WLSNEQRAVQHCFH-AHQSTGFLSA-N 0 1 493.585 2.322 50 0 JEAAMN COc1ccc([C@H](CC(=O)N[C@@H]2CCSC2=O)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263586708 570171880 /nfs/dbraw/zinc/17/18/80/570171880.db2.gz XBVBCMICOWQVPL-UONOGXRCSA-N 0 1 463.508 2.350 50 0 biogenic JEAAMN COc1ccccc1N1CCN(C(=O)CC[C@H]2N=C3c4ccccc4NC(=S)N3C2=O)CC1 ZINC000002966823 194184581 /nfs/dbraw/zinc/18/45/81/194184581.db2.gz XUPJSPHMDSEBEJ-GOSISDBHSA-N 0 1 463.563 2.492 50 0 JEAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc1C ZINC000003351404 194295660 /nfs/dbraw/zinc/29/56/60/194295660.db2.gz PIUSLJXHGDHBKK-UHFFFAOYSA-N 0 1 489.575 2.382 50 0 JEAAMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)n2)cc1 ZINC000003495646 194333434 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BNOIHSIGSFXHNZ-UHFFFAOYSA-N 0 1 454.556 2.234 50 0 JEAAMN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CN(CC(C)C)CCO3)CC2)c(C)c1 ZINC000012821853 195149582 /nfs/dbraw/zinc/14/95/82/195149582.db2.gz UCYLIRKYBBOUCA-QFIPXVFZSA-N 0 1 465.660 2.486 50 0 JEAAMN CC[C@@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NC[C@H]1CCCN1CC ZINC000012891648 195173191 /nfs/dbraw/zinc/17/31/91/195173191.db2.gz XLTBXLQAKGJNBH-QZMQVMSPSA-N 0 1 484.597 2.495 50 0 biogenic JEAAMN Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCN4CCOCC4)c(=O)c3c2)c1 ZINC000020677473 195202710 /nfs/dbraw/zinc/20/27/10/195202710.db2.gz BMLWAPVCFKKDCA-UHFFFAOYSA-N 0 1 498.605 2.032 50 0 JEAAMN COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(Cl)ccc1F)C(=O)OC ZINC000020722273 195206695 /nfs/dbraw/zinc/20/66/95/195206695.db2.gz QRHWXXIQOKSSMM-YJBOKZPZSA-N 0 1 452.870 2.354 50 0 JEAAMN COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1)C(=O)OC ZINC000020738039 195213850 /nfs/dbraw/zinc/21/38/50/195213850.db2.gz QGXOAMIANUEBNC-MAUKXSAKSA-N 0 1 479.331 2.324 50 0 JEAAMN COc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c2c1 ZINC000020745911 195215056 /nfs/dbraw/zinc/21/50/56/195215056.db2.gz QHLVINDVXWDUQX-YADHBBJMSA-N 0 1 451.479 2.286 50 0 JEAAMN O=C1Nc2ccccc2[C@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000020758540 195216739 /nfs/dbraw/zinc/21/67/39/195216739.db2.gz MEFZBYYTEFJSPO-FBTAJULRSA-N 0 1 470.529 2.310 50 0 biogenic JEAAMN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCC[C@H](C(=O)NCCN3CCN(C)CC3)C1)nnc2C ZINC000020938728 195254309 /nfs/dbraw/zinc/25/43/09/195254309.db2.gz TVLKQIAXGJTOKS-QFIPXVFZSA-N 0 1 490.656 2.321 50 0 JEAAMN COc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4F)CC3)n[nH]2)cc1S(=O)(=O)N(C)C ZINC000021806307 195323721 /nfs/dbraw/zinc/32/37/21/195323721.db2.gz LQWNHXFZCQTZQH-UHFFFAOYSA-N 0 1 487.557 2.437 50 0 JEAAMN CCn1c2ccccc2n(CC(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)c(=O)c1=O ZINC000021944108 195340088 /nfs/dbraw/zinc/34/00/88/195340088.db2.gz XYKGNJZKTYLGGI-UHFFFAOYSA-N 0 1 477.609 2.128 50 0 JEAAMN CN1CCN(c2ccccc2NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CC1 ZINC000058110064 195364781 /nfs/dbraw/zinc/36/47/81/195364781.db2.gz NKANIHFNMLRPDU-UHFFFAOYSA-N 0 1 457.581 2.302 50 0 JEAAMN O=C(c1cc(-c2cccnc2)[nH]n1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 ZINC000096324900 130070978 /nfs/dbraw/zinc/07/09/78/130070978.db2.gz JEOUPZNQUNEPJU-QGZVFWFLSA-N 0 1 478.940 2.463 50 0 JEAAMN CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)COc1ccc(Cl)cc1)CC2 ZINC000012453996 519240146 /nfs/dbraw/zinc/24/01/46/519240146.db2.gz XZEAQXASNMEPSZ-LJQANCHMSA-N 0 1 477.009 2.160 50 0 JEAAMN CCNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000033034127 519893160 /nfs/dbraw/zinc/89/31/60/519893160.db2.gz YKZHEJBBLZZRJP-UHFFFAOYSA-N 0 1 467.389 2.409 50 0 JEAAMN CCOC(=O)C1C(COC(=O)CCn2c3ccccc3n(C)c2=O)=NC(=O)N[C@H]1c1ccccc1 ZINC000021735216 520520894 /nfs/dbraw/zinc/52/08/94/520520894.db2.gz OQFWPAQTOYEXBT-QFIPXVFZSA-N 0 1 478.505 2.145 50 0 JEAAMN CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c1 ZINC000012411662 520808416 /nfs/dbraw/zinc/80/84/16/520808416.db2.gz LUXSACJKQGZSAQ-UHFFFAOYSA-N 0 1 471.582 2.430 50 0 JEAAMN CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC[C@H]3CCCO3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033717 521207371 /nfs/dbraw/zinc/20/73/71/521207371.db2.gz MDDQUHPDNACPRP-HXUWFJFHSA-N 0 1 488.610 2.205 50 0 JEAAMN CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033789 521217305 /nfs/dbraw/zinc/21/73/05/521217305.db2.gz FDCBKOYUUAGEFY-UHFFFAOYSA-N 0 1 473.599 2.384 50 0 JEAAMN CCN1C(=O)c2cc(C(=O)N3CCN(C4CCCCC4)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000033249955 521536016 /nfs/dbraw/zinc/53/60/16/521536016.db2.gz WBCDWGGKGWFKJI-AREMUKBSSA-N 0 1 484.645 2.267 50 0 JEAAMN CCOC(CNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O)OCC ZINC000006181034 521632027 /nfs/dbraw/zinc/63/20/27/521632027.db2.gz XTHRTQCXJBJSCB-UHFFFAOYSA-N 0 1 465.572 2.078 50 0 JEAAMN COc1cc(C(=O)N(CCC(=O)N2CCNCC2)Cc2ccc(C)cc2)cc(OC)c1OC ZINC000045966618 522063506 /nfs/dbraw/zinc/06/35/06/522063506.db2.gz RRUHJMWVYLMHRZ-UHFFFAOYSA-N 0 1 455.555 2.485 50 0 JEAAMN CC[C@H](Cc1ccccc1)NC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O ZINC000006181049 522316026 /nfs/dbraw/zinc/31/60/26/522316026.db2.gz KUINXMZFOMRNJI-GOSISDBHSA-N 0 1 469.563 2.300 50 0 JEAAMN COC(=O)C1CCN(Cc2ccc3c(c2)CN(C(=O)c2ccc(Cn4cnnn4)cc2)CCO3)CC1 ZINC000014980535 522917114 /nfs/dbraw/zinc/91/71/14/522917114.db2.gz VFMUOXMUNWFSDN-UHFFFAOYSA-N 0 1 490.564 2.141 50 0 JEAAMN CN1C(=O)c2cc(C(=O)N3CCN(C4CCCCC4)CC3)nn2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000033249932 523727225 /nfs/dbraw/zinc/72/72/25/523727225.db2.gz YDIDCOFKSCIFCT-SANMLTNESA-N 0 1 484.645 2.267 50 0 JEAAMN COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)OCc3ccccc3)[nH]c2=O)cc1OC ZINC000002712659 523740889 /nfs/dbraw/zinc/74/08/89/523740889.db2.gz HHTHXAHOZRHCRJ-UHFFFAOYSA-N 0 1 470.507 2.457 50 0 JEAAMN CCc1ccc(CN(CC(=O)N2CCNCC2)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000033032752 523922402 /nfs/dbraw/zinc/92/24/02/523922402.db2.gz CMGJZDPWOWNDOH-UHFFFAOYSA-N 0 1 455.555 2.349 50 0 JEAAMN COCCNC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000033034118 523925317 /nfs/dbraw/zinc/92/53/17/523925317.db2.gz WCVVAJDYKIGESJ-UHFFFAOYSA-N 0 1 470.954 2.066 50 0 JEAAMN CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CCC(N)=O)N[C@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000013541035 523964215 /nfs/dbraw/zinc/96/42/15/523964215.db2.gz SISNMOGMCWYMIA-NRGSMNHXSA-N 0 1 480.952 2.401 50 0 JEAAMN CC[C@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000033033974 523997564 /nfs/dbraw/zinc/99/75/64/523997564.db2.gz AMMIUTMBNMIOFX-INIZCTEOSA-N 0 1 476.599 2.443 50 0 JEAAMN Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC[C@@H]3CCCO3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033679 525590951 /nfs/dbraw/zinc/59/09/51/525590951.db2.gz KNQUCOPMNUPXRT-IBGZPJMESA-N 0 1 458.584 2.114 50 0 JEAAMN Cc1c(C(=O)NCCN2CCCCC2)sc2ncnc(NC[C@@H]3CCS(=O)(=O)C3)c12 ZINC000014992403 525612520 /nfs/dbraw/zinc/61/25/20/525612520.db2.gz IIMXYRVNWHJDKU-HNNXBMFYSA-N 0 1 451.618 2.062 50 0 JEAAMN O=C(NC[C@H]1CCCO1)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033033660 526600622 /nfs/dbraw/zinc/60/06/22/526600622.db2.gz GXFONSXTCDOUFH-GOSISDBHSA-N 0 1 479.002 2.459 50 0 JEAAMN O=C(c1cc([N-]S(=O)(=O)c2ccc(Br)cc2)cnc1N1CC[NH2+]CC1)N1CCCC1 ZINC000035513906 526625371 /nfs/dbraw/zinc/62/53/71/526625371.db2.gz GACPHLUYUIHRAQ-UHFFFAOYSA-N 0 1 494.415 2.291 50 0 JEAAMN NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cc4ccccc4[nH]3)CC2)C1=O ZINC000014742137 526882203 /nfs/dbraw/zinc/88/22/03/526882203.db2.gz IXEQJWMDRZGMSI-UHFFFAOYSA-N 0 1 459.550 2.495 50 0 JEAAMN O=C1CCCN1CCC1CCN([C@@H]2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1 ZINC000004196493 526974013 /nfs/dbraw/zinc/97/40/13/526974013.db2.gz KBOBTWKRIJFNPE-JOCHJYFZSA-N 0 1 466.582 2.165 50 0 JEAAMN O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H](NCc3cnn(-c4cccc(Cl)c4)c3)C[C@@H]12 ZINC000014749465 527082161 /nfs/dbraw/zinc/08/21/61/527082161.db2.gz SLZUMDJSRCZYKG-PMVMPFDFSA-N 0 1 479.968 2.300 50 0 JEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)N[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000009348148 555114322 /nfs/dbraw/zinc/11/43/22/555114322.db2.gz YYJXDZGLZDJNEF-PZTGFMGMSA-N 0 1 464.360 2.252 50 0 JEAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000009410910 555177792 /nfs/dbraw/zinc/17/77/92/555177792.db2.gz UHHHIAKKHCNFLB-UHFFFAOYSA-N 0 1 466.454 2.215 50 0 JEAAMN O=S(=O)(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1ccc2c(c1)OCCO2 ZINC000009442883 555215586 /nfs/dbraw/zinc/21/55/86/555215586.db2.gz KLUBPZFBHDEOPN-UHFFFAOYSA-N 0 1 454.526 2.139 50 0 JEAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000009466559 555242689 /nfs/dbraw/zinc/24/26/89/555242689.db2.gz QIHPVWJCURKUMO-UHFFFAOYSA-N 0 1 468.535 2.385 50 0 JEAAMN COc1ccc(CC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000009578904 555381471 /nfs/dbraw/zinc/38/14/71/555381471.db2.gz FFEQWVALSNJDJU-FQEVSTJZSA-N 0 1 491.610 2.195 50 0 JEAAMN C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)C1 ZINC000009584823 555394038 /nfs/dbraw/zinc/39/40/38/555394038.db2.gz SQNOUOBOWFPCDM-RTBURBONSA-N 0 1 464.632 2.224 50 0 JEAAMN Cc1ccccc1Cn1c(N2CCN(CCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009714208 555442455 /nfs/dbraw/zinc/44/24/55/555442455.db2.gz HGNFUPAVVHZBSR-UHFFFAOYSA-N 0 1 458.566 2.145 50 0 JEAAMN CCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)CC1 ZINC000009714443 555443490 /nfs/dbraw/zinc/44/34/90/555443490.db2.gz GLWWDTDXXLLERX-UHFFFAOYSA-N 0 1 451.358 2.310 50 0 JEAAMN CCOC(=O)C1C(COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)=NC(=O)N[C@H]1c1ccccc1 ZINC000009781816 555502500 /nfs/dbraw/zinc/50/25/00/555502500.db2.gz NRRHXBFLMWWBQN-XXBNENTESA-N 0 1 477.517 2.450 50 0 JEAAMN COc1ccc(NS(=O)(=O)c2cc(N3C(=O)[C@@H](C)CS3(=O)=O)ccc2OC)cc1Cl ZINC000013686591 555580315 /nfs/dbraw/zinc/58/03/15/555580315.db2.gz QEARPSODVINUBW-NSHDSACASA-N 0 1 474.944 2.471 50 0 JEAAMN COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)Nc1ccc(N2CCCC2)cc1 ZINC000013722792 555598114 /nfs/dbraw/zinc/59/81/14/555598114.db2.gz KGOICWAOXGADKW-OAHLLOKOSA-N 0 1 479.580 2.409 50 0 JEAAMN CN(C)CCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1nc2cc3c(cc2s1)OCO3 ZINC000010065954 555614083 /nfs/dbraw/zinc/61/40/83/555614083.db2.gz IIHKRHBKKYLIIJ-UHFFFAOYSA-N 0 1 452.492 2.216 50 0 JEAAMN CCOC(=O)C1CCN(CC2=NC(=O)N[C@H](c3ccc(OC)c(COC)c3)C2C(=O)OCC)CC1 ZINC000013960887 555665273 /nfs/dbraw/zinc/66/52/73/555665273.db2.gz SKSZAFMKOOYQOG-JOCHJYFZSA-N 0 1 489.569 2.288 50 0 JEAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000014016722 555671220 /nfs/dbraw/zinc/67/12/20/555671220.db2.gz JYJBBJGFDAQLIB-CYBMUJFWSA-N 0 1 456.977 2.404 50 0 JEAAMN CCOC(=O)C1=C(CN(C)Cc2nc3ccsc3c(=O)[nH]2)NC(=O)N[C@H]1c1ccccc1 ZINC000014017380 555671385 /nfs/dbraw/zinc/67/13/85/555671385.db2.gz BYQAGMWWMRTFHO-SFHVURJKSA-N 0 1 453.524 2.288 50 0 JEAAMN COc1ccc([C@@H](CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)N2CCCCC2)cc1 ZINC000014158469 555715592 /nfs/dbraw/zinc/71/55/92/555715592.db2.gz RVFFKAUAKPSCRN-OAQYLSRUSA-N 0 1 470.595 2.467 50 0 JEAAMN CCOC(=O)C1C(COC(=O)CNC(=O)c2cccc(C)c2)=NC(=O)N[C@H]1c1ccccc1 ZINC000010552941 555726694 /nfs/dbraw/zinc/72/66/94/555726694.db2.gz AOKQJPFSYCDRMF-NRFANRHFSA-N 0 1 451.479 2.139 50 0 JEAAMN C[NH+]1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000010762154 555738883 /nfs/dbraw/zinc/73/88/83/555738883.db2.gz KZWZTBSBXXZFCA-UHFFFAOYSA-N 0 1 464.613 2.024 50 0 JEAAMN Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3cccc(I)c3)CC2)n1 ZINC000011027534 555754937 /nfs/dbraw/zinc/75/49/37/555754937.db2.gz BFSXSALYVMJXQQ-UHFFFAOYSA-N 0 1 493.349 2.189 50 0 JEAAMN NS(=O)(=O)c1ccc(NC(=O)C2CCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000014252883 555754946 /nfs/dbraw/zinc/75/49/46/555754946.db2.gz FJNBWWMVXJBZEA-NRFANRHFSA-N 0 1 456.568 2.004 50 0 JEAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CC(=O)N(CCCN2CCCC2=O)C[C@H](OCC2CC2)C1 ZINC000014535239 555824014 /nfs/dbraw/zinc/82/40/14/555824014.db2.gz AUJZBEMRYCRVAQ-NRFANRHFSA-N 0 1 497.571 2.308 50 0 JEAAMN CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)/C=C/c1ccc(F)cc1)CC2 ZINC000011816108 555830932 /nfs/dbraw/zinc/83/09/32/555830932.db2.gz RAOVJTJSXCVYOQ-JRMCHAMMSA-N 0 1 456.566 2.280 50 0 JEAAMN CC(C)c1cc(C(=O)N2CC(=O)N(CC3CCOCC3)C[C@@H](OCc3cccnc3)C2)n[nH]1 ZINC000014541473 555832049 /nfs/dbraw/zinc/83/20/49/555832049.db2.gz XRDHGQSNYZCQGR-HXUWFJFHSA-N 0 1 455.559 2.225 50 0 JEAAMN COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CCN([C@H](C)CCn1cccn1)CC2 ZINC000014999899 555844372 /nfs/dbraw/zinc/84/43/72/555844372.db2.gz HEZZMKFYEQEJLC-LJQANCHMSA-N 0 1 479.581 2.329 50 0 JEAAMN O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000011982196 555876865 /nfs/dbraw/zinc/87/68/65/555876865.db2.gz VBJSGAKLEJZKLM-UHFFFAOYSA-N 0 1 451.502 2.106 50 0 JEAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)c1 ZINC000022196867 555884060 /nfs/dbraw/zinc/88/40/60/555884060.db2.gz CVFFBBLOTYECCX-UHFFFAOYSA-N 0 1 497.537 2.020 50 0 JEAAMN CCCc1cc(CN(C)C(=O)C[C@@]2(c3ccccc3OC)CC(=O)N(CCCOC)C2=O)n[nH]1 ZINC000012240889 555945263 /nfs/dbraw/zinc/94/52/63/555945263.db2.gz HHOLEFVDZCSVHL-VWLOTQADSA-N 0 1 470.570 2.453 50 0 JEAAMN COc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)n[nH]2)cc1 ZINC000015680564 555948262 /nfs/dbraw/zinc/94/82/62/555948262.db2.gz VISQWQKHGDLFTN-UHFFFAOYSA-N 0 1 486.550 2.249 50 0 JEAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)C1CCN(c2nnc(-n3cccc3)s2)CC1 ZINC000022937141 555989892 /nfs/dbraw/zinc/98/98/92/555989892.db2.gz XEPTZAJJMPJTMR-UHFFFAOYSA-N 0 1 479.654 2.479 50 0 JEAAMN CN1c2ccc(S(=O)(=O)NCCCN3CCN(Cc4ccccc4)CC3)cc2C(C)(C)C1=O ZINC000022937316 555990323 /nfs/dbraw/zinc/99/03/23/555990323.db2.gz VDXFXFZGLDSSGG-UHFFFAOYSA-N 0 1 470.639 2.427 50 0 JEAAMN COc1ccc(C(=O)NCCCN2CCN(CCCNC(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000022942569 555992974 /nfs/dbraw/zinc/99/29/74/555992974.db2.gz SXNZHSBKPVDJJN-UHFFFAOYSA-N 0 1 468.598 2.261 50 0 JEAAMN COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(Cc1ccc(C)s1)CC2 ZINC000023130101 556019323 /nfs/dbraw/zinc/01/93/23/556019323.db2.gz DZFVUYIKRKDSGC-LJQANCHMSA-N 0 1 473.595 2.453 50 0 JEAAMN COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2cccnc2)cc(OC)c1OC ZINC000015906087 556063297 /nfs/dbraw/zinc/06/32/97/556063297.db2.gz WHJGKYMUZBYMGY-YZVOILCLSA-N 0 1 455.389 2.211 50 0 JEAAMN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000015936291 556073905 /nfs/dbraw/zinc/07/39/05/556073905.db2.gz XMSGRJLMJLIDFP-OAQYLSRUSA-N 0 1 452.511 2.217 50 0 JEAAMN O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000023653701 556082352 /nfs/dbraw/zinc/08/23/52/556082352.db2.gz GGHFAINEYBJVCJ-UHFFFAOYSA-N 0 1 458.603 2.194 50 0 JEAAMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(O)cc2)N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000015958476 556089914 /nfs/dbraw/zinc/08/99/14/556089914.db2.gz BBFYSJWNBAOMBW-IMBSWCNGSA-N 0 1 497.507 2.485 50 0 biogenic JEAAMN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000015970073 556095996 /nfs/dbraw/zinc/09/59/96/556095996.db2.gz VKYRPVHFSWQZTP-HSGJQSDISA-N 0 1 478.936 2.431 50 0 biogenic JEAAMN Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000023882549 556098625 /nfs/dbraw/zinc/09/86/25/556098625.db2.gz UMUCEVWDKHQBOY-UHFFFAOYSA-N 0 1 456.568 2.457 50 0 JEAAMN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)N[C@@]32c3ccccc3NC2=O)cc1OC ZINC000016021908 556114458 /nfs/dbraw/zinc/11/44/58/556114458.db2.gz PMUBMKVTKCAKNX-IFOBJOEFSA-N 0 1 463.534 2.323 50 0 JEAAMN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1 ZINC000024023274 556117041 /nfs/dbraw/zinc/11/70/41/556117041.db2.gz YYTHHRWIEUYCOK-UHFFFAOYSA-N 0 1 458.588 2.245 50 0 JEAAMN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@]21C(=O)Nc2c1cccc2C ZINC000016033112 556117317 /nfs/dbraw/zinc/11/73/17/556117317.db2.gz JBPZBEGLVNPEOI-YRKFHGTDSA-N 0 1 458.518 2.086 50 0 biogenic JEAAMN CCCc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CN(CC(C)C)CCO3)CC2)cc1 ZINC000025139876 556180716 /nfs/dbraw/zinc/18/07/16/556180716.db2.gz HVUGINOENMJOCJ-NRFANRHFSA-N 0 1 466.648 2.012 50 0 JEAAMN Cc1cc(N(C)C)nc(N2CCN(C(=O)c3ccc(I)cc3)CC2)n1 ZINC000017012341 556202327 /nfs/dbraw/zinc/20/23/27/556202327.db2.gz HCFPMDQKOOFQCA-UHFFFAOYSA-N 0 1 451.312 2.418 50 0 JEAAMN COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1 ZINC000017012658 556202849 /nfs/dbraw/zinc/20/28/49/556202849.db2.gz AYIRCIWFTFXQJX-UHFFFAOYSA-N 0 1 489.642 2.439 50 0 JEAAMN COc1ccc(CCn2c(=O)[nH]c([O-])c([C@H]3[NH2+]CCc4c5cc(OC)ccc5[nH]c43)c2=O)cc1 ZINC000017028537 556207427 /nfs/dbraw/zinc/20/74/27/556207427.db2.gz GSRNOWMOYLBHLS-JOCHJYFZSA-N 0 1 462.506 2.219 50 0 biogenic JEAAMN COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)N1CC[NH+](Cc3ccccc3)CC1)c2=O ZINC000032959234 556575774 /nfs/dbraw/zinc/57/57/74/556575774.db2.gz RIKZACAKPQWXTC-UHFFFAOYSA-N 0 1 466.563 2.206 50 0 JEAAMN Cc1ccccc1Cn1c(N2CCN(Cc3ccccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952616 569593258 /nfs/dbraw/zinc/59/32/58/569593258.db2.gz CXVFSFSDCGTJQL-UHFFFAOYSA-N 0 1 458.566 2.411 50 0 JEAAMN Cn1c2c(nc1N1CCN(Cc3ccccc3)CC1)n(C)c(=O)n(Cc1ccc(Cl)cc1)c2=O ZINC000056978332 569593729 /nfs/dbraw/zinc/59/37/29/569593729.db2.gz XVKOGGWTNGAYRK-UHFFFAOYSA-N 0 1 478.984 2.458 50 0 JEAAMN COC(=O)C1C(CN2CCC(NC(=O)OC(C)(C)C)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414579 569600045 /nfs/dbraw/zinc/60/00/45/569600045.db2.gz KSXKTMZUVFTSAW-FQEVSTJZSA-N 0 1 474.558 2.465 50 0 JEAAMN COC(=O)C1=C(CN2CCN(C(=O)OC(C)(C)C)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057414869 569600393 /nfs/dbraw/zinc/60/03/93/569600393.db2.gz WVIQKYVZHDLAFS-IBGZPJMESA-N 0 1 460.531 2.029 50 0 JEAAMN CC1CCN(C(=O)c2cc([N-]S(=O)(=O)c3ccc(F)cc3)cnc2N2CC[NH2+]CC2)CC1 ZINC000065025105 569650377 /nfs/dbraw/zinc/65/03/77/569650377.db2.gz KANQHWRRBFGTMD-UHFFFAOYSA-N 0 1 461.563 2.303 50 0 JEAAMN CCCCN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025128 569650398 /nfs/dbraw/zinc/65/03/98/569650398.db2.gz RGYSYPTYDVGJNN-UHFFFAOYSA-N 0 1 461.588 2.173 50 0 JEAAMN CCCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025102 569650422 /nfs/dbraw/zinc/65/04/22/569650422.db2.gz VMBYGOMBUBSWHR-UHFFFAOYSA-N 0 1 451.980 2.475 50 0 JEAAMN CC(C)c1ccc(S(=O)(=O)[N-]c2cnc(N3CC[NH2+]CC3)c(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000065025246 569650526 /nfs/dbraw/zinc/65/05/26/569650526.db2.gz ISSIYVKZSCZMFA-FQEVSTJZSA-N 0 1 487.626 2.324 50 0 JEAAMN O=C(c1nc(-c2csc(S(=O)(=O)Nc3cc(F)ccc3F)c2)no1)N1CCOCC1 ZINC000065097481 569661179 /nfs/dbraw/zinc/66/11/79/569661179.db2.gz VLHMEZJKTZQYIY-UHFFFAOYSA-N 0 1 456.452 2.350 50 0 JEAAMN Cc1ccc2oc(=O)n(Cc3noc(C(=O)NCCCN4CCN(Cc5ccccc5)CC4)n3)c2c1 ZINC000065111768 569664629 /nfs/dbraw/zinc/66/46/29/569664629.db2.gz VIPWRCGNTWHRFP-UHFFFAOYSA-N 0 1 490.564 2.272 50 0 JEAAMN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)cc1 ZINC000065364659 569675476 /nfs/dbraw/zinc/67/54/76/569675476.db2.gz OMOZJCDMZMKBCJ-UHFFFAOYSA-N 0 1 458.588 2.245 50 0 JEAAMN COC(=O)C1C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000067204832 569677449 /nfs/dbraw/zinc/67/74/49/569677449.db2.gz LGDRBTZDALPSAI-QHCPKHFHSA-N 0 1 482.512 2.153 50 0 JEAAMN COC(=O)C1C(CN2CCN(c3ccccc3OC)CC2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204863 569677580 /nfs/dbraw/zinc/67/75/80/569677580.db2.gz LJCSALVIHLKHSX-JOCHJYFZSA-N 0 1 454.502 2.438 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(C(=O)OCC)CC2)=NC(=O)N[C@@H]1c1ccccc1OCC ZINC000067286854 569684065 /nfs/dbraw/zinc/68/40/65/569684065.db2.gz WNFUDAABPDKTEU-HXUWFJFHSA-N 0 1 460.531 2.031 50 0 JEAAMN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000067338783 569688311 /nfs/dbraw/zinc/68/83/11/569688311.db2.gz SKCLTLWDROTSNS-UHFFFAOYSA-N 0 1 458.584 2.484 50 0 JEAAMN COC(=O)C1C(CN2CCN(c3ccc(F)cc3)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067689571 569689747 /nfs/dbraw/zinc/68/97/47/569689747.db2.gz PITOGEKNUMGKQB-QHCPKHFHSA-N 0 1 484.528 2.446 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(C(=O)c3ccco3)CC2)=NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000067689703 569690136 /nfs/dbraw/zinc/69/01/36/569690136.db2.gz OQRGGBWVLXYASN-QFIPXVFZSA-N 0 1 482.537 2.307 50 0 JEAAMN Cc1nn(C[C@H](O)CN2CCN(c3ccccc3)CC2)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000068837315 569692574 /nfs/dbraw/zinc/69/25/74/569692574.db2.gz PJKDOCJUXJZHFT-XMMPIXPASA-N 0 1 495.649 2.434 50 0 JEAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC(=O)N1CCOCC1 ZINC000085651846 569713566 /nfs/dbraw/zinc/71/35/66/569713566.db2.gz FITWAMUVRABVAI-UHFFFAOYSA-N 0 1 477.564 2.040 50 0 JEAAMN COC(=O)C[C@@H](c1ccc(OCCN2CCCC2=O)cc1)c1c(O)nc2ccccn2c1=O ZINC000096114529 569733719 /nfs/dbraw/zinc/73/37/19/569733719.db2.gz WQZDFTIUKIIQEO-SFHVURJKSA-N 0 1 451.479 2.096 50 0 biogenic JEAAMN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])[nH]c(=O)n(CCc2ccc(F)cc2)c1=O ZINC000097514679 569745359 /nfs/dbraw/zinc/74/53/59/569745359.db2.gz UDZNVZBWGOCOKO-NRFANRHFSA-N 0 1 450.470 2.349 50 0 biogenic JEAAMN O=C(CC1C(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c21)Nc1ccc2c(c1)OCCO2 ZINC000100243041 569756221 /nfs/dbraw/zinc/75/62/21/569756221.db2.gz MADZMKASHCAONI-KRWDZBQOSA-N 0 1 473.489 2.168 50 0 JEAAMN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2c1cccc2Cl ZINC000100778977 569769849 /nfs/dbraw/zinc/76/98/49/569769849.db2.gz ZRQRINDWSNDLFI-PBQROFAYSA-N 0 1 478.936 2.431 50 0 biogenic JEAAMN CN1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)[C@H](c2ccccc2)C1 ZINC000036394224 569774784 /nfs/dbraw/zinc/77/47/84/569774784.db2.gz INRCNXQHAVBQKT-RTWAWAEBSA-N 0 1 476.668 2.254 50 0 JEAAMN COC(=O)C[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1OC(F)(F)F)C(=O)OC ZINC000036579876 569776768 /nfs/dbraw/zinc/77/67/68/569776768.db2.gz QIMBSVKKIORREB-DYVFJYSZSA-N 0 1 470.404 2.070 50 0 JEAAMN COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1F)C(=O)OC ZINC000036579971 569776890 /nfs/dbraw/zinc/77/68/90/569776890.db2.gz PTOCJSGJTNVROR-CRAIPNDOSA-N 0 1 497.321 2.463 50 0 JEAAMN COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1F)C(=O)OC ZINC000036579970 569776939 /nfs/dbraw/zinc/77/69/39/569776939.db2.gz PTOCJSGJTNVROR-QAPCUYQASA-N 0 1 497.321 2.463 50 0 JEAAMN COc1cc2c(cc1OC)CN(Cc1coc(=O)c(CN3CC[NH+](C4CCOCC4)CC3)c1[O-])CC2 ZINC000101374230 569794995 /nfs/dbraw/zinc/79/49/95/569794995.db2.gz XQTLNLPYZHEKEG-UHFFFAOYSA-N 0 1 499.608 2.218 50 0 JEAAMN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)c1 ZINC000040139091 569817635 /nfs/dbraw/zinc/81/76/35/569817635.db2.gz LZDGOULAMKMUPD-UHFFFAOYSA-N 0 1 467.507 2.224 50 0 JEAAMN CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)N[C@H](Cc1cnc[nH]1)C(N)=O ZINC000239415302 570051744 /nfs/dbraw/zinc/05/17/44/570051744.db2.gz UDQCJOWXMPDCJZ-XKKJXBDVSA-N 0 1 741.846 2.455 50 0 JEAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(C)C2=O)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@@H]12 ZINC000245238038 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JEAAMN COc1ccc(-c2coc3cc(OCCN4CCN(CCO)CC4)ccc3c2=O)cc1OC ZINC000020624017 195190724 /nfs/dbraw/zinc/19/07/24/195190724.db2.gz WTDWFHKEWJKIMX-UHFFFAOYSA-N 0 1 454.523 2.466 50 0 biogenic JEAAMN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2c1cccc2C ZINC000020756628 195215803 /nfs/dbraw/zinc/21/58/03/195215803.db2.gz XNWKQKJBUVKJBT-RRHHDSEZSA-N 0 1 472.545 2.476 50 0 biogenic JEAAMN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2c1cc(C)cc2C ZINC000020757003 195216211 /nfs/dbraw/zinc/21/62/11/195216211.db2.gz KAMZZEXAJMOTQQ-RRHHDSEZSA-N 0 1 472.545 2.394 50 0 biogenic JEAAMN O=C1Nc2ccccc2[C@]12N[C@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000020758544 195216840 /nfs/dbraw/zinc/21/68/40/195216840.db2.gz MEFZBYYTEFJSPO-KXFRMMEESA-N 0 1 470.529 2.310 50 0 biogenic JEAAMN COc1cc(OC)c(OC)cc1CN1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1 ZINC000020912816 195246167 /nfs/dbraw/zinc/24/61/67/195246167.db2.gz DTRILZBXRCSDSL-UHFFFAOYSA-N 0 1 495.580 2.100 50 0 JEAAMN CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000021052373 195272915 /nfs/dbraw/zinc/27/29/15/195272915.db2.gz SKSGBZQQOPYMTO-NRFANRHFSA-N 0 1 464.657 2.380 50 0 JEAAMN CCOC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478469 195343886 /nfs/dbraw/zinc/34/38/86/195343886.db2.gz BXYGJLYNDXQWKS-NRFANRHFSA-N 0 1 450.543 2.032 50 0 JEAAMN Cc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4cc(-c5ccncc5)[nH]n4)CC3)CC2=O)cc1 ZINC000096324824 130071018 /nfs/dbraw/zinc/07/10/18/130071018.db2.gz GYIINWVIVSWUSH-IBGZPJMESA-N 0 1 458.522 2.118 50 0 JEAAMN CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCN(C)CC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033419 519443708 /nfs/dbraw/zinc/44/37/08/519443708.db2.gz LZRHTXJFXBFBDE-UHFFFAOYSA-N 0 1 499.681 2.483 50 0 JEAAMN CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)NCCc3nnc(-c4ccc(F)cc4)[nH]3)cc21 ZINC000064969576 519635779 /nfs/dbraw/zinc/63/57/79/519635779.db2.gz COIVBRUIXRAAPW-ZDUSSCGKSA-N 0 1 459.503 2.266 50 0 JEAAMN CCOC(=O)C1C(CN(C)Cc2ccnn2CC)=NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000022707661 520509243 /nfs/dbraw/zinc/50/92/43/520509243.db2.gz FIGHXWCUNVDMMV-JOCHJYFZSA-N 0 1 471.558 2.361 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(C(=O)OCC)CC2)=NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000067287709 520515607 /nfs/dbraw/zinc/51/56/07/520515607.db2.gz UJLOLJKALJTSQT-FQEVSTJZSA-N 0 1 460.531 2.031 50 0 JEAAMN CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 ZINC000012411663 520807890 /nfs/dbraw/zinc/80/78/90/520807890.db2.gz JYUUZTOURXKXIH-UHFFFAOYSA-N 0 1 485.609 2.440 50 0 JEAAMN CCN1C(=O)c2cc(C(=O)N3CCN(C4CCCCC4)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000033249954 521536772 /nfs/dbraw/zinc/53/67/72/521536772.db2.gz WBCDWGGKGWFKJI-SANMLTNESA-N 0 1 484.645 2.267 50 0 JEAAMN COC(=O)C(C(=O)C(=O)Nc1cc(OC)ccc1OC)c1nc2ccc(Cl)cc2[nH]c1=O ZINC000005398449 523478764 /nfs/dbraw/zinc/47/87/64/523478764.db2.gz KWFXKFABCFKXPW-MRXNPFEDSA-N 0 1 459.842 2.470 50 0 JEAAMN 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556056239 /nfs/dbraw/zinc/05/62/39/556056239.db2.gz DWMSEEBWPVIGRK-UHFFFAOYSA-N 0 1 472.659 2.427 50 0 JEAAMN C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccc(F)cc1 ZINC000012567451 556066547 /nfs/dbraw/zinc/06/65/47/556066547.db2.gz YCNZWFTUJSFQFH-QGZVFWFLSA-N 0 1 477.558 2.171 50 0 JEAAMN O=C(CSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000023563412 556078835 /nfs/dbraw/zinc/07/88/35/556078835.db2.gz WQLQCMACHKZPDY-QGZVFWFLSA-N 0 1 492.605 2.175 50 0 JEAAMN O=C(C1CCN([C@H]2CCS(=O)(=O)C2)CC1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000023805429 556088861 /nfs/dbraw/zinc/08/88/61/556088861.db2.gz ZRJQFKCYNKEBHI-QHCPKHFHSA-N 0 1 455.624 2.383 50 0 JEAAMN O=C(C1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000023805427 556088974 /nfs/dbraw/zinc/08/89/74/556088974.db2.gz ZRJQFKCYNKEBHI-HSZRJFAPSA-N 0 1 455.624 2.383 50 0 JEAAMN CC(=O)Nc1nc(SCC(=O)Nc2nnc(C)s2)[nH]c(=O)c1NC(=O)c1cccs1 ZINC000015962536 556093156 /nfs/dbraw/zinc/09/31/56/556093156.db2.gz 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475.391 2.342 50 0 JEAAMN COc1ccc(OC)c(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)c1 ZINC000017027741 556207382 /nfs/dbraw/zinc/20/73/82/556207382.db2.gz ZVNSXYMNHKFIFK-HYBUGGRVSA-N 0 1 450.495 2.490 50 0 JEAAMN COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CCN(Cc1sccc1C)CC2 ZINC000019790976 556370273 /nfs/dbraw/zinc/37/02/73/556370273.db2.gz XBIJSHKCOKBZQX-UHFFFAOYSA-N 0 1 455.584 2.302 50 0 JEAAMN CN1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccccc2Cl)CC1 ZINC000019819960 556388521 /nfs/dbraw/zinc/38/85/21/556388521.db2.gz VHQFAGZXVPFGNL-IBGZPJMESA-N 0 1 451.976 2.378 50 0 JEAAMN C[NH+](C)CCNC(=O)CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000031816459 556407398 /nfs/dbraw/zinc/40/73/98/556407398.db2.gz GITYQIIQYNOUTN-AREMUKBSSA-N 0 1 493.608 2.168 50 0 JEAAMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000032818933 556503379 /nfs/dbraw/zinc/50/33/79/556503379.db2.gz OOSVZTOZTHRNAN-KRWDZBQOSA-N 0 1 454.302 2.313 50 0 JEAAMN COC(CNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3cc(C)ccc3C)cc2c1=O)OC ZINC000006181321 569588623 /nfs/dbraw/zinc/58/86/23/569588623.db2.gz VGOJRQONTIHYKI-UHFFFAOYSA-N 0 1 473.551 2.319 50 0 JEAAMN Cc1cccc(Cn2c3c(nc2N2CCN(Cc4ccccc4)CC2)n(C)c(=O)n(C)c3=O)c1 ZINC000055558941 569592154 /nfs/dbraw/zinc/59/21/54/569592154.db2.gz CNMOVBIQWZLUQY-UHFFFAOYSA-N 0 1 458.566 2.113 50 0 JEAAMN Cc1ccccc1Cn1c2c(nc1N1CCN(Cc3ccccc3)CC1)n(C)c(=O)n(C)c2=O ZINC000055545346 569592163 /nfs/dbraw/zinc/59/21/63/569592163.db2.gz ZEUWTOULZKICMX-UHFFFAOYSA-N 0 1 458.566 2.113 50 0 JEAAMN Cc1ccc(Cn2c(N3CCN(Cc4ccccc4C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000056952659 569593393 /nfs/dbraw/zinc/59/33/93/569593393.db2.gz DGNJAJFDNREQBV-UHFFFAOYSA-N 0 1 458.566 2.411 50 0 JEAAMN Cc1ccc(C)c(Cn2c(N3CCN(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000056952676 569593426 /nfs/dbraw/zinc/59/34/26/569593426.db2.gz CCZZUUMMMJFLGJ-UHFFFAOYSA-N 0 1 458.566 2.411 50 0 JEAAMN COC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414635 569599986 /nfs/dbraw/zinc/59/99/86/569599986.db2.gz ZBQMDRXCHATAPH-JOCHJYFZSA-N 0 1 454.502 2.438 50 0 JEAAMN CCOC(=O)C1C(CN2CCN(c3ccccn3)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414787 569600271 /nfs/dbraw/zinc/60/02/71/569600271.db2.gz PRFKABXIMAGEGX-QFIPXVFZSA-N 0 1 451.527 2.084 50 0 JEAAMN COC(=O)C1=C(CN2CCN(C(=O)OC(C)(C)C)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000057414871 569600478 /nfs/dbraw/zinc/60/04/78/569600478.db2.gz WVIQKYVZHDLAFS-LJQANCHMSA-N 0 1 460.531 2.029 50 0 JEAAMN CCc1ccc([C@@H]2NC(=O)NC(CN3CCN(C(=O)c4ccco4)CC3)=C2C(=O)OC)cc1 ZINC000057415308 569600574 /nfs/dbraw/zinc/60/05/74/569600574.db2.gz SBNVBNDOVARWOV-NRFANRHFSA-N 0 1 452.511 2.081 50 0 JEAAMN CCOc1ccc([C@H]2NC(=O)NC(CN3CCN(C(=O)OC(C)(C)C)CC3)=C2C(=O)OC)cc1 ZINC000057415430 569600774 /nfs/dbraw/zinc/60/07/74/569600774.db2.gz PBJZGSPDLLWRMG-HXUWFJFHSA-N 0 1 474.558 2.419 50 0 JEAAMN COC(=O)C1C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)=NC(=O)N[C@H]1c1cccs1 ZINC000057415924 569601213 /nfs/dbraw/zinc/60/12/13/569601213.db2.gz DTXSPFSQBCCUEH-NRFANRHFSA-N 0 1 470.551 2.076 50 0 JEAAMN COc1cc(NC(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc(OC)c1OC ZINC000064800239 569631240 /nfs/dbraw/zinc/63/12/40/569631240.db2.gz UXDGJVBOZDCTHH-UHFFFAOYSA-N 0 1 472.546 2.002 50 0 JEAAMN CCCC[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCC[C@@H](C(=O)N(CC)CC)C3)co2)CC1 ZINC000034677695 569641919 /nfs/dbraw/zinc/64/19/19/569641919.db2.gz RUNVNSDKQHGGIG-NHCUHLMSSA-N 0 1 477.650 2.064 50 0 JEAAMN CCCn1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCN(CCC)CC4)CC3)cc2sc1=O ZINC000065022327 569648880 /nfs/dbraw/zinc/64/88/80/569648880.db2.gz DLGUOIBTDKFVRS-UHFFFAOYSA-N 0 1 494.683 2.428 50 0 JEAAMN COCCN(Cc1ccc(OC)c(OC)c1)C[C@H](Oc1ccccc1)C(=O)N1CCOCC1 ZINC000034708066 569650244 /nfs/dbraw/zinc/65/02/44/569650244.db2.gz NWNWULYYEVBNQB-DEOSSOPVSA-N 0 1 458.555 2.459 50 0 JEAAMN COCCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025256 569650589 /nfs/dbraw/zinc/65/05/89/569650589.db2.gz 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