smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146729 518988161 /nfs/dbraw/zinc/98/81/61/518988161.db2.gz KTMSJFQUEBKWQO-PMACEKPBSA-N 1 0 432.923 4.038 50 30 IIEARO CC(C)C[C@@H](C)[NH+]1CCN(C(Nc2ccc(C(=O)[O-])cc2)=[NH+]CCc2ccccc2)CC1 ZINC000021046970 519772498 /nfs/dbraw/zinc/77/24/98/519772498.db2.gz LTJSGCVOSBEOTE-OAQYLSRUSA-N 1 0 436.600 4.257 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1C ZINC000022276172 520329428 /nfs/dbraw/zinc/32/94/28/520329428.db2.gz MWRRWFMIYOISEZ-JOCHJYFZSA-N 1 0 440.515 4.063 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccn1 ZINC000017196048 520600576 /nfs/dbraw/zinc/60/05/76/520600576.db2.gz OHTQIHLYONGFJG-QFIPXVFZSA-N 1 0 433.508 4.138 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000013551288 520658275 /nfs/dbraw/zinc/65/82/75/520658275.db2.gz OKHUGMDUYNSBGZ-OAQYLSRUSA-N 1 0 442.943 4.269 50 30 IIEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3ccc(C)cc3)oc21 ZINC000009045563 524257289 /nfs/dbraw/zinc/25/72/89/524257289.db2.gz LTYATWVPUYAJOK-MOBKVPTQSA-N 1 0 448.519 4.123 50 30 IIEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000032777109 556327921 /nfs/dbraw/zinc/32/79/21/556327921.db2.gz RBQBWFTUYMDTLQ-FQEVSTJZSA-N 1 0 441.645 4.079 50 30 IIEARO C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@@H]12 ZINC000409414635 556640203 /nfs/dbraw/zinc/64/02/03/556640203.db2.gz YYNSVIHMXBJYSY-WRDBPHBTSA-N 1 0 439.556 4.031 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000019831062 556926489 /nfs/dbraw/zinc/92/64/89/556926489.db2.gz XETXDEDQPRBKSM-FQEVSTJZSA-N 1 0 430.907 4.399 50 30 IIEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020109461 556984509 /nfs/dbraw/zinc/98/45/09/556984509.db2.gz FYXLBNDNSUIMLA-NRFANRHFSA-N 1 0 442.943 4.269 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Cl)c2)cc1 ZINC000020171767 556994914 /nfs/dbraw/zinc/99/49/14/556994914.db2.gz JWNUIHKWTNXCEE-NRFANRHFSA-N 1 0 440.927 4.045 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OC)c1 ZINC000020188481 556996068 /nfs/dbraw/zinc/99/60/68/556996068.db2.gz ZJNAPALOBYUUGJ-NRFANRHFSA-N 1 0 442.943 4.269 50 30 IIEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020264579 557004295 /nfs/dbraw/zinc/00/42/95/557004295.db2.gz HBKLCOBZOBGYJC-JOCHJYFZSA-N 1 0 440.515 4.145 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000024080647 557135470 /nfs/dbraw/zinc/13/54/70/557135470.db2.gz ADHCSPCOERLYDU-HSZRJFAPSA-N 1 0 436.552 4.232 50 30 IIEARO CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000102489268 557331989 /nfs/dbraw/zinc/33/19/89/557331989.db2.gz PDCROGCURBDSNZ-ZHHPLPSFSA-N 1 0 436.552 4.239 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102928795 557410899 /nfs/dbraw/zinc/41/08/99/557410899.db2.gz QNBWWRKTQNGNBX-ZHHPLPSFSA-N 1 0 436.552 4.157 50 30 IIEARO COC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000015823455 568840157 /nfs/dbraw/zinc/84/01/57/568840157.db2.gz NTSZKOCJRMNSLZ-UHFFFAOYSA-N 1 0 431.517 4.217 50 30 IIEARO COc1cc(OC)c(OC)cc1C=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000239128774 568910640 /nfs/dbraw/zinc/91/06/40/568910640.db2.gz KTQQZIDFOMMUNZ-UHFFFAOYSA-N 1 0 443.547 4.434 50 30 IIEARO Cc1cccc(N2CC[N@@H+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@H]34)C[C@@H]2C)c1 ZINC000252694764 569210969 /nfs/dbraw/zinc/21/09/69/569210969.db2.gz PRAKNMCMUCYNKL-RGJMUJPESA-N 1 0 438.612 4.031 50 30 biogenic IIEARO C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000002428039 569302742 /nfs/dbraw/zinc/30/27/42/569302742.db2.gz BKJGKMLAQQAZCV-QHCPKHFHSA-N 1 0 432.520 4.245 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccs1 ZINC000020219206 569356826 /nfs/dbraw/zinc/35/68/26/569356826.db2.gz RJELLZZJFYKLHS-QGZVFWFLSA-N 1 0 433.599 4.132 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1F ZINC000020228950 569356954 /nfs/dbraw/zinc/35/69/54/569356954.db2.gz IISPXDFUXPNRHL-JOCHJYFZSA-N 1 0 440.515 4.145 50 30 IIEARO CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020233262 569357120 /nfs/dbraw/zinc/35/71/20/569357120.db2.gz AFAQVINQFPVGNX-HXUWFJFHSA-N 1 0 428.554 4.067 50 30 IIEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020232383 569357152 /nfs/dbraw/zinc/35/71/52/569357152.db2.gz YMAIXPKUOCHOPA-OAQYLSRUSA-N 1 0 442.943 4.269 50 30 IIEARO O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@]2(C1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000096309782 569392472 /nfs/dbraw/zinc/39/24/72/569392472.db2.gz NPTPDFSXKQAQFA-SANMLTNESA-N 1 0 442.567 4.345 50 30 biogenic IIEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000008738737 569472746 /nfs/dbraw/zinc/47/27/46/569472746.db2.gz ACMTZLQDRIAVSJ-LFVOPCPISA-N 1 0 433.335 4.367 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1OC ZINC000008900973 569484270 /nfs/dbraw/zinc/48/42/70/569484270.db2.gz JWKXRHJPCFRYDT-AYWGPLOBSA-N 1 0 448.519 4.205 50 30 IIEARO C=CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000008902699 569484403 /nfs/dbraw/zinc/48/44/03/569484403.db2.gz OUVONPKZYAGRGL-MRJHHRETSA-N 1 0 440.565 4.076 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008920227 569486496 /nfs/dbraw/zinc/48/64/96/569486496.db2.gz CJXKPDKXVFPYDA-NXLSWJSLSA-N 1 0 448.563 4.358 50 30 IIEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000009045311 569498055 /nfs/dbraw/zinc/49/80/55/569498055.db2.gz ZUDXRFDMPPLHRI-HOGKFDNTSA-N 1 0 440.540 4.140 50 30 IIEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009186620 569510227 /nfs/dbraw/zinc/51/02/27/569510227.db2.gz DTAJRBTWTHEOAA-MRJHHRETSA-N 1 0 442.943 4.112 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(OC)c1 ZINC000009271178 569517771 /nfs/dbraw/zinc/51/77/71/569517771.db2.gz ZJGNBUNTXKDGRF-AYWGPLOBSA-N 1 0 448.519 4.205 50 30 IIEARO CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009412656 569531643 /nfs/dbraw/zinc/53/16/43/569531643.db2.gz HLUNKLHGKLCBHN-MZNJEOGPSA-N 1 0 448.563 4.273 50 30 IIEARO C=CCOC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146566 518993641 /nfs/dbraw/zinc/99/36/41/518993641.db2.gz DDYDPIWQLVBIQF-YADHBBJMSA-N 1 0 432.923 4.038 50 30 IIEARO C=CCn1c(SC[C@H]2C[NH2+][C@H](c3ccc(N(C)C)cc3)O2)nnc1C1CCCCC1 ZINC000057647593 519237308 /nfs/dbraw/zinc/23/73/08/519237308.db2.gz LIENJNVDJPQXPW-IRLDBZIGSA-N 1 0 427.618 4.357 50 30 IIEARO CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000020229272 521266271 /nfs/dbraw/zinc/26/62/71/521266271.db2.gz SDLIWFMJFDYXBJ-QHCPKHFHSA-N 1 0 436.552 4.396 50 30 IIEARO COC(=O)[C@H](C#N)c1nc2ccccc2nc1NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000013000672 523846220 /nfs/dbraw/zinc/84/62/20/523846220.db2.gz TUPYTLNFCXRNFP-XLIONFOSSA-N 1 0 449.580 4.357 50 30 IIEARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccc(C#CC(C)(C)O)cc4)C3)C2)c1 ZINC000012373258 524394743 /nfs/dbraw/zinc/39/47/43/524394743.db2.gz CLBVGSWOOJQMLW-MUUNZHRXSA-N 1 0 430.592 4.246 50 30 IIEARO COc1ccc(C(=O)/C=C/c2cn(C[C@H](O)C[NH+]3CCCCC3)c3ccccc23)cc1OC ZINC000008430709 556170486 /nfs/dbraw/zinc/17/04/86/556170486.db2.gz RBEYGDNZDJTZAR-RSNBEDGSSA-N 1 0 448.563 4.401 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2F)cc1 ZINC000008817619 556218372 /nfs/dbraw/zinc/21/83/72/556218372.db2.gz JVWGGLHRUAUACY-QFIPXVFZSA-N 1 0 440.515 4.145 50 30 IIEARO CCCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000016247230 556594058 /nfs/dbraw/zinc/59/40/58/556594058.db2.gz FXLDZRULKUHODZ-QFIPXVFZSA-N 1 0 440.540 4.379 50 30 IIEARO C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@@H]3C[C@H]12 ZINC000409414633 556640114 /nfs/dbraw/zinc/64/01/14/556640114.db2.gz YYNSVIHMXBJYSY-KWVKCVPZSA-N 1 0 439.556 4.031 50 30 IIEARO C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@H]12 ZINC000409414629 556640143 /nfs/dbraw/zinc/64/01/43/556640143.db2.gz YYNSVIHMXBJYSY-COWNTTACSA-N 1 0 439.556 4.031 50 30 IIEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000019938533 556952635 /nfs/dbraw/zinc/95/26/35/556952635.db2.gz MFPJJOWAZYAEKR-QFIPXVFZSA-N 1 0 440.540 4.297 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C)cc1 ZINC000020081257 556978717 /nfs/dbraw/zinc/97/87/17/556978717.db2.gz UGGRLACPPQTAGY-HSZRJFAPSA-N 1 0 436.552 4.232 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccccc1 ZINC000020289238 557005722 /nfs/dbraw/zinc/00/57/22/557005722.db2.gz JQLWNMIZPBYERW-MHECFPHRSA-N 1 0 448.563 4.320 50 30 IIEARO Cc1cccc(N2CC[N@@H+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@H]34)C[C@H]2C)c1 ZINC000105374976 557496715 /nfs/dbraw/zinc/49/67/15/557496715.db2.gz PRAKNMCMUCYNKL-YZEDZELWSA-N 1 0 438.612 4.031 50 30 biogenic IIEARO COc1ccc(NCc2nn(CC(=O)c3ccc(Cl)cc3)c3[n+]2CCCCC3)cc1 ZINC000004134974 568781445 /nfs/dbraw/zinc/78/14/45/568781445.db2.gz MCGDDESUJWYRNA-UHFFFAOYSA-N 1 0 425.940 4.054 50 30 IIEARO CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CC[NH+](Cc3ccc(CC)o3)CC2)C1=O ZINC000014878759 568827458 /nfs/dbraw/zinc/82/74/58/568827458.db2.gz MUEBVYSISSCRKH-HHHXNRCGSA-N 1 0 447.579 4.001 50 30 IIEARO O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)c1ccccc1)C2)c1ccc(Br)cc1 ZINC000001799191 568908376 /nfs/dbraw/zinc/90/83/76/568908376.db2.gz WIHBBLOJXUMORN-LBVATQBMSA-N 1 0 429.334 4.098 50 30 IIEARO CCc1occc1C(=O)NCCN(CC[NH+]1CCCCCC1)C(=O)c1ccoc1CC ZINC000328592042 569317184 /nfs/dbraw/zinc/31/71/84/569317184.db2.gz QKRIHDPWPORECZ-UHFFFAOYSA-N 1 0 429.561 4.320 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccccc1 ZINC000020150060 569336312 /nfs/dbraw/zinc/33/63/12/569336312.db2.gz FIQWSNLXYDPBNO-LJQANCHMSA-N 1 0 427.570 4.070 50 30 IIEARO Cc1cc(O)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(Cl)c2)cc1C ZINC000020310088 569359963 /nfs/dbraw/zinc/35/99/63/569359963.db2.gz NKCNKEQLKCLQFB-NRFANRHFSA-N 1 0 442.943 4.192 50 30 IIEARO CCOc1ccc(CC(=O)N2CCC[C@@]3(C2)Nc2cccnc2[NH+]=C3NC2CCCC2)cc1 ZINC000096309808 569392451 /nfs/dbraw/zinc/39/24/51/569392451.db2.gz YHOCLBUXTDFQBK-SANMLTNESA-N 1 0 447.583 4.263 50 30 biogenic IIEARO O=C(Nc1ccc2c(c1)CCC2)N1CC[C@]2(C1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000096310035 569392624 /nfs/dbraw/zinc/39/26/24/569392624.db2.gz TURRDHKZTDKVEG-RUZDIDTESA-N 1 0 430.556 4.425 50 30 biogenic IIEARO O=C(NCc1ccc(F)cc1)N1CC[C@@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000096309990 569392674 /nfs/dbraw/zinc/39/26/74/569392674.db2.gz SLOCPPVDBCLPPR-VWLOTQADSA-N 1 0 444.514 4.011 50 30 biogenic IIEARO Cc1cc2c(c3c1C(=O)/C(=C/c1cccnc1)O3)CN(C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)CO2 ZINC000032502306 569461959 /nfs/dbraw/zinc/46/19/59/569461959.db2.gz DSLAGUKRSMICTB-OWMCGEEFSA-N 1 0 445.563 4.423 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000009012364 569496574 /nfs/dbraw/zinc/49/65/74/569496574.db2.gz SAFXJVRDUVHVCK-NHFXJNLRSA-N 1 0 430.907 4.243 50 30 IIEARO C=CCC[C@H](O)C[NH+]1CCN(c2nc(C)nc(CC)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340745 518728722 /nfs/dbraw/zinc/72/87/22/518728722.db2.gz WKOULXSYSNQNEL-NRFANRHFSA-N 1 0 429.008 4.041 50 30 IIEARO C=CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N(CC)CC)CC1CC1 ZINC000036249746 518985790 /nfs/dbraw/zinc/98/57/90/518985790.db2.gz WZGORHHKOYYXGT-NRFANRHFSA-N 1 0 431.552 4.102 50 30 IIEARO C=CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146699 518987856 /nfs/dbraw/zinc/98/78/56/518987856.db2.gz ZBDMGJOULGVIKU-VXKWHMMOSA-N 1 0 432.923 4.038 50 30 IIEARO C=CCOc1ccccc1C[NH+]1CCC(c2nnc(SCc3ccncc3)n2C)CC1 ZINC000012726808 519070260 /nfs/dbraw/zinc/07/02/60/519070260.db2.gz VCBJWEKZCLIGSF-UHFFFAOYSA-N 1 0 435.597 4.447 50 30 IIEARO CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CC[NH+](Cc3ccccc3C)CC2)C1=O ZINC000012166500 519341609 /nfs/dbraw/zinc/34/16/09/519341609.db2.gz HRMABPVRKJAAQL-MUUNZHRXSA-N 1 0 443.591 4.154 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2F)cc1C ZINC000022275948 520328122 /nfs/dbraw/zinc/32/81/22/520328122.db2.gz NOZKXSAZNLUZQI-QFIPXVFZSA-N 1 0 440.515 4.063 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000012528770 520874450 /nfs/dbraw/zinc/87/44/50/520874450.db2.gz USGHJFKBPIDFTK-JOCHJYFZSA-N 1 0 440.515 4.063 50 30 IIEARO CCOC(=O)c1ccc2c(c1)[n+](CC(=O)Nc1ccc(SC(F)F)cc1)c(C)n2CC ZINC000003263096 521531963 /nfs/dbraw/zinc/53/19/63/521531963.db2.gz JSSIIKVPTQNCBP-UHFFFAOYSA-O 1 0 448.515 4.387 50 30 IIEARO COc1ccc(OC)c(NC(=O)C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)c1 ZINC000013770236 524852911 /nfs/dbraw/zinc/85/29/11/524852911.db2.gz VFFAUUKBKHMFGU-UHFFFAOYSA-O 1 0 447.342 4.352 50 30 IIEARO C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[N@H+]3CC=C(c4ccc(F)cc4)CC3)C(=O)O[C@@H]1C2 ZINC000012863319 525345220 /nfs/dbraw/zinc/34/52/20/525345220.db2.gz MHXARIVPIJEABA-MOHLLJBMSA-N 1 0 425.544 4.442 50 30 biogenic IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccn1 ZINC000013127630 556476448 /nfs/dbraw/zinc/47/64/48/556476448.db2.gz QLAJVSYJJIHOSR-HXUWFJFHSA-N 1 0 427.932 4.045 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2cccs2)cc1 ZINC000016734883 556632835 /nfs/dbraw/zinc/63/28/35/556632835.db2.gz LHGWDAAIAKUKCU-NRFANRHFSA-N 1 0 440.565 4.233 50 30 IIEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccc(Br)c1 ZINC000019884936 556938177 /nfs/dbraw/zinc/93/81/77/556938177.db2.gz HUWYDDITAHFTQR-KRWDZBQOSA-N 1 0 449.370 4.041 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000019885546 556938561 /nfs/dbraw/zinc/93/85/61/556938561.db2.gz NCIIIJQQKGLWHB-LJQANCHMSA-N 1 0 449.334 4.142 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000019928843 556946598 /nfs/dbraw/zinc/94/65/98/556946598.db2.gz ZQNMWFZMXLXSRU-HSZRJFAPSA-N 1 0 436.552 4.232 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(F)cc1 ZINC000019957174 556954957 /nfs/dbraw/zinc/95/49/57/556954957.db2.gz YOBCQGMJFLPNNU-JOCHJYFZSA-N 1 0 440.515 4.063 50 30 IIEARO COc1cc(OC)c(/C=N/N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c(OC)c1 ZINC000020101126 556980243 /nfs/dbraw/zinc/98/02/43/556980243.db2.gz UGJGOBPMAKVXOI-MTDXEUNCSA-N 1 0 443.547 4.434 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1OC ZINC000020150056 556991182 /nfs/dbraw/zinc/99/11/82/556991182.db2.gz QADUBNRGOUJFOO-QHCPKHFHSA-N 1 0 448.519 4.362 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000020171768 556994874 /nfs/dbraw/zinc/99/48/74/556994874.db2.gz JWNUIHKWTNXCEE-OAQYLSRUSA-N 1 0 440.927 4.045 50 30 IIEARO Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000020193007 556996863 /nfs/dbraw/zinc/99/68/63/556996863.db2.gz ZSIRVZCTJKWAMV-HXUWFJFHSA-N 1 0 447.560 4.258 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C)cc1 ZINC000102527238 557353685 /nfs/dbraw/zinc/35/36/85/557353685.db2.gz XDNOMQBVTCUUPR-ZHHPLPSFSA-N 1 0 436.552 4.076 50 30 IIEARO C=CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000024102817 557395706 /nfs/dbraw/zinc/39/57/06/557395706.db2.gz QFTISLNDGMKICR-XMMPIXPASA-N 1 0 448.563 4.398 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000102882129 557408030 /nfs/dbraw/zinc/40/80/30/557408030.db2.gz NGCIKXUZCXHETE-HOGKFDNTSA-N 1 0 440.540 4.220 50 30 IIEARO O=C(c1ccc(Cl)s1)C(C(=S)NCc1ccc2c(c1)OCO2)[n+]1ccccc1 ZINC000003320584 562934230 /nfs/dbraw/zinc/93/42/30/562934230.db2.gz RMUUGLCANQVMNZ-UHFFFAOYSA-O 1 0 431.946 4.146 50 30 IIEARO C=CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104985268 568623443 /nfs/dbraw/zinc/62/34/43/568623443.db2.gz ZBDMGJOULGVIKU-FCHUYYIVSA-N 1 0 432.923 4.038 50 30 IIEARO Cc1sc(C2=C(N)N(C3CC[NH+](Cc4ccccc4)CC3)CC2=O)nc1-c1ccccc1 ZINC000034770126 568738020 /nfs/dbraw/zinc/73/80/20/568738020.db2.gz FNIIHEHDGPROAM-UHFFFAOYSA-N 1 0 444.604 4.295 50 30 IIEARO CC(C)(O)C#Cc1ccc(C[NH+]2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)s1 ZINC000011934754 568821038 /nfs/dbraw/zinc/82/10/38/568821038.db2.gz OIDLWKJQEGTDJX-UHFFFAOYSA-N 1 0 442.600 4.318 50 30 IIEARO C=CCOC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104985239 568838769 /nfs/dbraw/zinc/83/87/69/568838769.db2.gz IJKRKHYEFVUPIY-VQTJNVASSA-N 1 0 432.923 4.038 50 30 IIEARO COc1ccc(C=NN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c(OC)c1OC ZINC000239046978 568910529 /nfs/dbraw/zinc/91/05/29/568910529.db2.gz GAUJCOLPOQBZTH-UHFFFAOYSA-N 1 0 443.547 4.434 50 30 IIEARO N#Cc1c(NC(=O)CC[NH+]2CCN(c3ccc(F)cc3)CC2)sc2c1CCCCC2 ZINC000007600498 569188593 /nfs/dbraw/zinc/18/85/93/569188593.db2.gz LTEIJZWZCYSKRV-UHFFFAOYSA-N 1 0 426.561 4.179 50 30 IIEARO CC(=NOCc1nc2c3c4c(sc3ncn2n1)C(C)(C)[NH2+]C(C)(C)C4)c1ccccc1 ZINC000252616468 569197639 /nfs/dbraw/zinc/19/76/39/569197639.db2.gz KAXVCWXZVMSPGB-UHFFFAOYSA-N 1 0 434.569 4.439 50 30 IIEARO COc1ccc(NC(=O)CSc2nc3c(c(-c4ccccc4)c2C#N)C[N@H+](C)CC3)cc1 ZINC000019889347 569331670 /nfs/dbraw/zinc/33/16/70/569331670.db2.gz FJDKVNLPVCZSAY-UHFFFAOYSA-N 1 0 444.560 4.348 50 30 IIEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020232252 569357137 /nfs/dbraw/zinc/35/71/37/569357137.db2.gz ZVPKMGFSDUGYKE-JOCHJYFZSA-N 1 0 438.524 4.073 50 30 IIEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000009008077 569496226 /nfs/dbraw/zinc/49/62/26/569496226.db2.gz INKOBURWKMQFNY-HOGKFDNTSA-N 1 0 440.540 4.222 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OC)c1 ZINC000009007879 569496230 /nfs/dbraw/zinc/49/62/30/569496230.db2.gz KYWJDSZNLHIZCW-MRJHHRETSA-N 1 0 442.943 4.112 50 30 IIEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000009066341 569499863 /nfs/dbraw/zinc/49/98/63/569499863.db2.gz YCBLHGBNRPVCQY-ZHHPLPSFSA-N 1 0 436.552 4.157 50 30 IIEARO CC(C)(O)C#Cc1ccc(C[N@H+]2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000012206590 519330663 /nfs/dbraw/zinc/33/06/63/519330663.db2.gz FIOFLGMCEYXYTM-UHFFFAOYSA-N 1 0 444.497 4.062 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(C)cc1 ZINC000020132131 520602477 /nfs/dbraw/zinc/60/24/77/520602477.db2.gz VOZFMWZQNZOQQC-QHCPKHFHSA-N 1 0 436.552 4.314 50 30 IIEARO CCOC(=O)[C@@]1(Cc2ccccc2F)CCC[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000055153586 521183369 /nfs/dbraw/zinc/18/33/69/521183369.db2.gz CMTNLHALUZTZAX-RUZDIDTESA-N 1 0 443.584 4.398 50 30 IIEARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000055153125 521184189 /nfs/dbraw/zinc/18/41/89/521184189.db2.gz RHUUTPZJFVIJKQ-RUZDIDTESA-N 1 0 425.594 4.259 50 30 IIEARO O=C1C[C@H](c2c(F)cccc2Cl)[C@@H](n2cncn2)C(=O)C1[C@H]1[NH2+]CCc2ccccc21 ZINC000252427621 527031703 /nfs/dbraw/zinc/03/17/03/527031703.db2.gz ADLQZXHMGGBTEF-KBJGYGKASA-N 1 0 438.890 4.067 50 30 IIEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)ccc1OCC(C)C ZINC000009046443 556242842 /nfs/dbraw/zinc/24/28/42/556242842.db2.gz CPCFBYHIHBCTLN-HSZRJFAPSA-N 1 0 436.552 4.170 50 30 IIEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000032777107 556327831 /nfs/dbraw/zinc/32/78/31/556327831.db2.gz RBQBWFTUYMDTLQ-HXUWFJFHSA-N 1 0 441.645 4.079 50 30 IIEARO N#Cc1ccc(CCC(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC000072304629 556548927 /nfs/dbraw/zinc/54/89/27/556548927.db2.gz GJRRHFWMLUNFRL-QFIPXVFZSA-N 1 0 429.486 4.404 50 30 IIEARO Cc1cc(Br)ccc1OCC(=O)ONC(=[NH2+])Cc1cccc2ccccc21 ZINC000016193350 556589339 /nfs/dbraw/zinc/58/93/39/556589339.db2.gz HHVLFJXVZIFRSZ-UHFFFAOYSA-N 1 0 427.298 4.348 50 30 IIEARO C=C(C)COc1ccc2c(C)c(CCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)oc2c1 ZINC000008765150 556845774 /nfs/dbraw/zinc/84/57/74/556845774.db2.gz CNHSSHRHPMYOGZ-UHFFFAOYSA-N 1 0 440.584 4.414 50 30 biogenic IIEARO CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000019938380 556952111 /nfs/dbraw/zinc/95/21/11/556952111.db2.gz RWRGLDIBMLRUBC-NRFANRHFSA-N 1 0 442.581 4.457 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(C)cc1 ZINC000020079505 556978673 /nfs/dbraw/zinc/97/86/73/556978673.db2.gz ZFTHYUQXZGEVFP-QHCPKHFHSA-N 1 0 436.552 4.232 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(F)c1 ZINC000020132948 556987883 /nfs/dbraw/zinc/98/78/83/556987883.db2.gz YATTWUOZNIMHSR-JOCHJYFZSA-N 1 0 436.483 4.492 50 30 IIEARO CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020192242 556996696 /nfs/dbraw/zinc/99/66/96/556996696.db2.gz YLDJCYHXKFOFLJ-QHCPKHFHSA-N 1 0 436.552 4.314 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(F)c2)cc1Cl ZINC000020265445 557004303 /nfs/dbraw/zinc/00/43/03/557004303.db2.gz LOEHMIQANHBYJP-HXUWFJFHSA-N 1 0 446.906 4.018 50 30 IIEARO CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000016247071 557147670 /nfs/dbraw/zinc/14/76/70/557147670.db2.gz ASNQLSJLSWMQIE-HSZRJFAPSA-N 1 0 436.552 4.232 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102536562 557345725 /nfs/dbraw/zinc/34/57/25/557345725.db2.gz YICCKLGKGKFXAU-JBCNATCCSA-N 1 0 442.943 4.112 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccs1 ZINC000102711002 557367570 /nfs/dbraw/zinc/36/75/70/557367570.db2.gz PRJOGRUXQYEVNQ-MRJHHRETSA-N 1 0 442.581 4.299 50 30 IIEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)cc1C ZINC000102863319 557403539 /nfs/dbraw/zinc/40/35/39/557403539.db2.gz CURLXSAHDHKGQA-ZHHPLPSFSA-N 1 0 436.552 4.157 50 30 IIEARO CC(C)(C)NC1=[NH+]c2ncccc2N[C@]12CCCN(C(=O)c1cc(-c3cccs3)n[nH]1)C2 ZINC000096309862 557776856 /nfs/dbraw/zinc/77/68/56/557776856.db2.gz UKDZUEVVBSXRFJ-QHCPKHFHSA-N 1 0 449.584 4.243 50 30 biogenic IIEARO C#CCOC[C@H](O)C[N@@H+](CCC(C)C)Cc1c(-c2ccccc2)noc1N(C)C(C)C ZINC000104999334 568624033 /nfs/dbraw/zinc/62/40/33/568624033.db2.gz CXSOETCBOVWZEO-JOCHJYFZSA-N 1 0 427.589 4.045 50 30 IIEARO C=CCC(O)(CC=C)[C@@H](C)NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011667894 568820661 /nfs/dbraw/zinc/82/06/61/568820661.db2.gz MVWIESFDAJDQHB-OAQYLSRUSA-N 1 0 449.595 4.127 50 30 IIEARO C=CCOc1cccc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccccc4F)CC3)O2)c1 ZINC000011966331 568821082 /nfs/dbraw/zinc/82/10/82/568821082.db2.gz IAVOOKATAWQTPO-HSZRJFAPSA-N 1 0 438.543 4.334 50 30 IIEARO COc1ccc(/C=N/c2ccc(OC[C@H](O)C[N@H+]3[C@H](C)CCC[C@@H]3C)cc2)cc1OC ZINC000027467190 569215168 /nfs/dbraw/zinc/21/51/68/569215168.db2.gz USIKSQCKMHPQEF-MEMIJQFYSA-N 1 0 426.557 4.457 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(Cl)cc1 ZINC000020132589 569335434 /nfs/dbraw/zinc/33/54/34/569335434.db2.gz LNRRUDJNMACMDF-SFHVURJKSA-N 1 0 447.988 4.333 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000020189857 569355568 /nfs/dbraw/zinc/35/55/68/569355568.db2.gz MOKNNFBNPKXCCB-QFIPXVFZSA-N 1 0 440.515 4.145 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccccc2F)cc1 ZINC000020193444 569355908 /nfs/dbraw/zinc/35/59/08/569355908.db2.gz IKYVWUOYBWWPDQ-QFIPXVFZSA-N 1 0 440.515 4.145 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000008836703 569478185 /nfs/dbraw/zinc/47/81/85/569478185.db2.gz FOXBVIMSMLMKCS-JBCNATCCSA-N 1 0 442.943 4.112 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccccc1F ZINC000008980427 569493079 /nfs/dbraw/zinc/49/30/79/569493079.db2.gz NYEYQIOCBWSAJB-LFVOPCPISA-N 1 0 445.560 4.053 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000009041387 569497586 /nfs/dbraw/zinc/49/75/86/569497586.db2.gz ZAKPYXVJGXPDBE-ZHHPLPSFSA-N 1 0 436.552 4.237 50 30 IIEARO C#CCOC[C@@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036308281 518295965 /nfs/dbraw/zinc/29/59/65/518295965.db2.gz FKEGEUDTRAAMTO-QFIPXVFZSA-N 1 0 433.552 4.102 50 30 IIEARO C#CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036301588 518299505 /nfs/dbraw/zinc/29/95/05/518299505.db2.gz GOAQSCKSTUZBQG-QFIPXVFZSA-N 1 0 433.552 4.101 50 30 IIEARO C#CCOC[C@H](O)C[N@@H+](CCC(C)C)Cc1c(-c2ccc(F)cc2)noc1N(CC)CC ZINC000036249759 518307917 /nfs/dbraw/zinc/30/79/17/518307917.db2.gz QDKRBDZKKHYXGN-JOCHJYFZSA-N 1 0 445.579 4.186 50 30 IIEARO C#CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C1CC1 ZINC000036316047 518310682 /nfs/dbraw/zinc/31/06/82/518310682.db2.gz KXJGAHNTXMHJCP-HSZRJFAPSA-N 1 0 445.563 4.163 50 30 IIEARO CCOC(=O)[C@]1(Cc2ccccc2F)CCC[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000055153585 521358822 /nfs/dbraw/zinc/35/88/22/521358822.db2.gz CMTNLHALUZTZAX-VWLOTQADSA-N 1 0 443.584 4.398 50 30 IIEARO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000013000667 523478779 /nfs/dbraw/zinc/47/87/79/523478779.db2.gz TUPYTLNFCXRNFP-FXAWDEMLSA-N 1 0 449.580 4.357 50 30 IIEARO O=C(C#Cc1ccccc1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012835900 527663292 /nfs/dbraw/zinc/66/32/92/527663292.db2.gz BLIXUSAYRZJJAD-RUZDIDTESA-N 1 0 434.555 4.097 50 30 IIEARO COc1ccc(C(=O)/C=C/c2cn(C[C@@H](O)C[NH+]3CCCCC3)c3ccccc23)cc1OC ZINC000008430710 556170551 /nfs/dbraw/zinc/17/05/51/556170551.db2.gz RBEYGDNZDJTZAR-YUAYGMJFSA-N 1 0 448.563 4.401 50 30 IIEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)cc1C ZINC000009271688 556271103 /nfs/dbraw/zinc/27/11/03/556271103.db2.gz QXEKIXFADPSQBD-QHCPKHFHSA-N 1 0 436.552 4.314 50 30 IIEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1ccc(Cl)cc1F ZINC000032777020 556327631 /nfs/dbraw/zinc/32/76/31/556327631.db2.gz GRDVDINNMWACCK-UHFFFAOYSA-N 1 0 437.972 4.016 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)cc1Cl ZINC000009008521 557130588 /nfs/dbraw/zinc/13/05/88/557130588.db2.gz TYTQMPTYUIHQAP-IBGZPJMESA-N 1 0 448.972 4.330 50 30 IIEARO CCOc1cc(C=NNC(N)=[NH2+])cc(Br)c1OCc1cccc2ccccc21 ZINC000033362285 557135218 /nfs/dbraw/zinc/13/52/18/557135218.db2.gz DDPOZCJSIIBPRU-ROTLSHHCSA-N 1 0 441.329 4.397 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2F)c(C)c1 ZINC000024080942 557135425 /nfs/dbraw/zinc/13/54/25/557135425.db2.gz NRAABGLUURWCSU-QFIPXVFZSA-N 1 0 440.515 4.063 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000024080545 557135522 /nfs/dbraw/zinc/13/55/22/557135522.db2.gz JHMGWDFHFCGNCH-HSZRJFAPSA-N 1 0 436.552 4.232 50 30 IIEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)ccc1OCC(C)C ZINC000102175524 557314272 /nfs/dbraw/zinc/31/42/72/557314272.db2.gz VZHKCYYMHGZVMQ-ZHHPLPSFSA-N 1 0 436.552 4.013 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)cc1Cl ZINC000102543923 557348652 /nfs/dbraw/zinc/34/86/52/557348652.db2.gz OKGVQKXDGDFSBJ-JBCNATCCSA-N 1 0 442.943 4.112 50 30 IIEARO C=CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000024102814 557395688 /nfs/dbraw/zinc/39/56/88/557395688.db2.gz QFTISLNDGMKICR-DEOSSOPVSA-N 1 0 448.563 4.398 50 30 IIEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)cc1C ZINC000102863317 557403243 /nfs/dbraw/zinc/40/32/43/557403243.db2.gz CURLXSAHDHKGQA-AYWGPLOBSA-N 1 0 436.552 4.157 50 30 IIEARO C=C[C@](C)(O)C[N@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000105004525 557471372 /nfs/dbraw/zinc/47/13/72/557471372.db2.gz LCJOIPIYGOLCGS-DHLKQENFSA-N 1 0 442.625 4.210 50 30 IIEARO C=CCn1cc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)c(C)n1 ZINC000011667806 562978982 /nfs/dbraw/zinc/97/89/82/562978982.db2.gz QIHPVTLODPWASY-UHFFFAOYSA-N 1 0 431.540 4.416 50 30 IIEARO CC(C)(O)C#Cc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)CC[C@@H]32)cc1 ZINC000014953374 568827926 /nfs/dbraw/zinc/82/79/26/568827926.db2.gz QCLRMYPNSMHQSC-NOZRDPDXSA-N 1 0 434.555 4.075 50 30 IIEARO C=CCOC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104985236 568838680 /nfs/dbraw/zinc/83/86/80/568838680.db2.gz IJKRKHYEFVUPIY-WOJBJXKFSA-N 1 0 432.923 4.038 50 30 IIEARO C=C(C)Cn1nc(C)c(CCC(=O)N(CCCOC)C[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1C ZINC000583647620 568889565 /nfs/dbraw/zinc/88/95/65/568889565.db2.gz VTCKMNNPRGWZOQ-ILBGXUMGSA-N 1 0 444.664 4.138 50 30 biogenic IIEARO CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000032922170 568895868 /nfs/dbraw/zinc/89/58/68/568895868.db2.gz MFPYMQCJLDVQAI-UHFFFAOYSA-N 1 0 437.540 4.031 50 30 IIEARO COc1ccc(C[NH+]2CCN(c3c4c(c(C#N)c5nc6ccccc6n53)CCC4)CC2)cc1 ZINC000019708515 569327498 /nfs/dbraw/zinc/32/74/98/569327498.db2.gz NNLOJQWSTKUPGW-UHFFFAOYSA-N 1 0 437.547 4.179 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccs1 ZINC000020133671 569335564 /nfs/dbraw/zinc/33/55/64/569335564.db2.gz DRCCZKDSKZRGRX-HXUWFJFHSA-N 1 0 428.554 4.067 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000020189861 569355682 /nfs/dbraw/zinc/35/56/82/569355682.db2.gz MOKNNFBNPKXCCB-JOCHJYFZSA-N 1 0 440.515 4.145 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000020265013 569358661 /nfs/dbraw/zinc/35/86/61/569358661.db2.gz SSYCTKIXNMXAID-OAQYLSRUSA-N 1 0 442.943 4.187 50 30 IIEARO O=C(CSc1ccccc1)N1CCC[C@@]2(C1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000096309810 569392408 /nfs/dbraw/zinc/39/24/08/569392408.db2.gz XKRLTDSCFFSLJG-DEOSSOPVSA-N 1 0 435.597 4.414 50 30 biogenic IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000008905189 569484614 /nfs/dbraw/zinc/48/46/14/569484614.db2.gz FALOWUHRCKYGEA-MRJHHRETSA-N 1 0 426.944 4.494 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1F ZINC000009046570 569498396 /nfs/dbraw/zinc/49/83/96/569498396.db2.gz QGXWGADOOMHTOJ-YDJIHCHBSA-N 1 0 430.907 4.243 50 30 IIEARO CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000009240084 569514633 /nfs/dbraw/zinc/51/46/33/569514633.db2.gz YCBLHGBNRPVCQY-AYWGPLOBSA-N 1 0 436.552 4.157 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 ZINC000009275513 569518414 /nfs/dbraw/zinc/51/84/14/569518414.db2.gz WOJANUTYNNVQMJ-JBCNATCCSA-N 1 0 426.944 4.412 50 30 IIEARO C#Cc1cccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1 ZINC000055244238 518358991 /nfs/dbraw/zinc/35/89/91/518358991.db2.gz SHDWQOUBDMDTDX-QHCPKHFHSA-N 1 0 441.497 4.114 50 30 IIEARO C=C(C)C[N@@H+](CC)Cc1cc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1OC ZINC000045796246 518599692 /nfs/dbraw/zinc/59/96/92/518599692.db2.gz IFHQLPZFIALOEH-ISKFKSNPSA-N 1 0 433.552 4.263 50 30 IIEARO C=C(Cl)Cn1c2cc(SC)ccc2cc(C[NH2+]C[C@H]2COc3ccccc3O2)c1=O ZINC000015003315 518652272 /nfs/dbraw/zinc/65/22/72/518652272.db2.gz WNVKWVWLTPPBBW-SFHVURJKSA-N 1 0 442.968 4.406 50 30 IIEARO C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000009043456 519046412 /nfs/dbraw/zinc/04/64/12/519046412.db2.gz YDZKPTJMOGNMAR-MRJHHRETSA-N 1 0 440.565 4.076 50 30 IIEARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2ccc(C#CCCO)cc2)CC1 ZINC000012195750 520462826 /nfs/dbraw/zinc/46/28/26/520462826.db2.gz FOXGZRVFQLZWSB-UHFFFAOYSA-N 1 0 439.983 4.462 50 30 IIEARO CC[C@@H](C)[N@H+](CCN1CC(=O)C(c2nc3ccccc3s2)=C1N)Cc1cccs1 ZINC000064838204 522090335 /nfs/dbraw/zinc/09/03/35/522090335.db2.gz FXXNOPKBXQOJIE-OAHLLOKOSA-N 1 0 426.611 4.171 50 30 IIEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)cc1C ZINC000009008347 556240239 /nfs/dbraw/zinc/24/02/39/556240239.db2.gz ZHVXNNPFOWUZQC-NRFANRHFSA-N 1 0 442.581 4.375 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)cc1C ZINC000016701291 556629761 /nfs/dbraw/zinc/62/97/61/556629761.db2.gz VSFRZZQMSRHLRO-QHCPKHFHSA-N 1 0 434.536 4.090 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2F)cc1Cl ZINC000016733461 556632361 /nfs/dbraw/zinc/63/23/61/556632361.db2.gz NXLSENUSKKQFIW-FQEVSTJZSA-N 1 0 446.906 4.018 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1 ZINC000020149940 556990925 /nfs/dbraw/zinc/99/09/25/556990925.db2.gz LDJBPSUYTUBBMS-QFIPXVFZSA-N 1 0 436.483 4.492 50 30 IIEARO COc1ccc(/C=N/c2ccc(OC[C@@H](O)C[N@H+]3[C@H](C)CCC[C@@H]3C)cc2)cc1OC ZINC000004737196 557057930 /nfs/dbraw/zinc/05/79/30/557057930.db2.gz USIKSQCKMHPQEF-KMWJIAIWSA-N 1 0 426.557 4.457 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000024081324 557135557 /nfs/dbraw/zinc/13/55/57/557135557.db2.gz UMCSJORYPAJVRJ-NRFANRHFSA-N 1 0 442.943 4.187 50 30 IIEARO C=CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000024192956 557140494 /nfs/dbraw/zinc/14/04/94/557140494.db2.gz GRYSOEOOKRZYEF-HSZRJFAPSA-N 1 0 446.503 4.138 50 30 IIEARO O=C(C[n+]1ccc(-c2cccc(Br)c2)nc1)c1ccc(Br)cc1 ZINC000025560411 557214846 /nfs/dbraw/zinc/21/48/46/557214846.db2.gz IGEQMWVVLYMLKJ-UHFFFAOYSA-N 1 0 433.123 4.444 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000102500933 557338212 /nfs/dbraw/zinc/33/82/12/557338212.db2.gz RYXZDHCYOUIFCU-JBCNATCCSA-N 1 0 442.943 4.030 50 30 IIEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000102528457 557354101 /nfs/dbraw/zinc/35/41/01/557354101.db2.gz IKQCVNXWKCFLNK-NHFXJNLRSA-N 1 0 441.597 4.257 50 30 IIEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)ccc1OC(C)C ZINC000102691486 557364316 /nfs/dbraw/zinc/36/43/16/557364316.db2.gz JELLMTWPGBFQKR-AYWGPLOBSA-N 1 0 436.552 4.156 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)cc1Cl ZINC000102874444 557396530 /nfs/dbraw/zinc/39/65/30/557396530.db2.gz OIBGPXGLJCRTKR-WOOAAIBNSA-N 1 0 448.972 4.174 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1 ZINC000102857643 557399166 /nfs/dbraw/zinc/39/91/66/557399166.db2.gz OPTQMXJIXRFEFK-MOBKVPTQSA-N 1 0 436.483 4.335 50 30 IIEARO COc1ccc(C(=O)/C=C\c2cn(C[C@@H](O)C[NH+]3CCCCC3)c3ccccc23)cc1OC ZINC000033532023 557408138 /nfs/dbraw/zinc/40/81/38/557408138.db2.gz RBEYGDNZDJTZAR-HLXJENQHSA-N 1 0 448.563 4.401 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1 ZINC000102928793 557410719 /nfs/dbraw/zinc/41/07/19/557410719.db2.gz QNBWWRKTQNGNBX-AYWGPLOBSA-N 1 0 436.552 4.157 50 30 IIEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000104195307 557452786 /nfs/dbraw/zinc/45/27/86/557452786.db2.gz RDALEWICZBYWRB-WOOAAIBNSA-N 1 0 433.335 4.285 50 30 IIEARO C=CCOC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984674 568623640 /nfs/dbraw/zinc/62/36/40/568623640.db2.gz DDYDPIWQLVBIQF-FGZHOGPDSA-N 1 0 432.923 4.038 50 30 IIEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000004073124 568760290 /nfs/dbraw/zinc/76/02/90/568760290.db2.gz MHXARIVPIJEABA-WCQONYCWSA-N 1 0 425.544 4.442 50 30 biogenic IIEARO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(Cl)c1)C2 ZINC000014538308 568826331 /nfs/dbraw/zinc/82/63/31/568826331.db2.gz DFQYBRWSBXLYSH-HXUWFJFHSA-N 1 0 426.992 4.386 50 30 IIEARO C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000016750736 568830451 /nfs/dbraw/zinc/83/04/51/568830451.db2.gz OBVBFYISFICSMS-HSZRJFAPSA-N 1 0 432.520 4.163 50 30 IIEARO COc1cc(C=NN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1OC ZINC000239174356 568910729 /nfs/dbraw/zinc/91/07/29/568910729.db2.gz PWBFJEQCGAJBMN-UHFFFAOYSA-N 1 0 443.547 4.434 50 30 IIEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[NH2+][C@@H]3CCCC[C@H]3Cc3ccco3)C(=O)O[C@@H]1C2 ZINC000252694003 569210919 /nfs/dbraw/zinc/21/09/19/569210919.db2.gz GXZYBCLGOGIELF-ZKKOPIPXSA-N 1 0 427.585 4.498 50 30 biogenic IIEARO CCN1CCC([NH+]2CCC(C(=O)NCCc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000328592703 569317306 /nfs/dbraw/zinc/31/73/06/569317306.db2.gz BMMWQILVDSZYKH-UHFFFAOYSA-N 1 0 427.511 4.281 50 30 IIEARO C[NH+](C)CCNc1nc(NCc2ccccc2)c(C#N)c2c1CN(Cc1ccccc1)CC2 ZINC000095478393 569373489 /nfs/dbraw/zinc/37/34/89/569373489.db2.gz LNWPLDDSKRDQLD-UHFFFAOYSA-N 1 0 440.595 4.097 50 30 IIEARO COc1ccccc1CCC(=O)N1CCC2(CC1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000096309724 569392277 /nfs/dbraw/zinc/39/22/77/569392277.db2.gz ZUCAXFZLTQSWET-UHFFFAOYSA-N 1 0 447.583 4.263 50 30 biogenic IIEARO Cc1c(CCOC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc[n+]1CC(=O)c1ccccc1 ZINC000003164250 569441112 /nfs/dbraw/zinc/44/11/12/569441112.db2.gz LZUUIQKROIRUQC-UHFFFAOYSA-N 1 0 445.904 4.188 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000008903875 569484493 /nfs/dbraw/zinc/48/44/93/569484493.db2.gz NQWIOVHJKHTROI-JBCNATCCSA-N 1 0 442.581 4.299 50 30 IIEARO CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000008920949 569486815 /nfs/dbraw/zinc/48/68/15/569486815.db2.gz NCJFEDFWGLDTQJ-AYWGPLOBSA-N 1 0 448.519 4.205 50 30 IIEARO C#CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C1CC1 ZINC000036316046 518299354 /nfs/dbraw/zinc/29/93/54/518299354.db2.gz KXJGAHNTXMHJCP-QHCPKHFHSA-N 1 0 445.563 4.163 50 30 IIEARO C=CCOC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2C)=NO1 ZINC000036145928 518988788 /nfs/dbraw/zinc/98/87/88/518988788.db2.gz HOBNXCNEJOLUSS-VXKWHMMOSA-N 1 0 428.960 4.207 50 30 IIEARO C=CCOC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146567 518988962 /nfs/dbraw/zinc/98/89/62/518988962.db2.gz DDYDPIWQLVBIQF-VXKWHMMOSA-N 1 0 432.923 4.038 50 30 IIEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1c(C)cccc1CC ZINC000032777044 519176720 /nfs/dbraw/zinc/17/67/20/519176720.db2.gz FBPABJGTTCYMAY-UHFFFAOYSA-N 1 0 427.618 4.094 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000021487009 520328897 /nfs/dbraw/zinc/32/88/97/520328897.db2.gz IKIVEWQKUALVST-JOCHJYFZSA-N 1 0 440.515 4.063 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccn1 ZINC000017196051 520601251 /nfs/dbraw/zinc/60/12/51/520601251.db2.gz OHTQIHLYONGFJG-JOCHJYFZSA-N 1 0 433.508 4.138 50 30 IIEARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccc(C#CCCO)cc2)C1 ZINC000012713539 521354016 /nfs/dbraw/zinc/35/40/16/521354016.db2.gz FVQKTSWLELBTKQ-MHZLTWQESA-N 1 0 435.564 4.035 50 30 IIEARO C[NH+](C)CCN(C(=O)c1ccc(C#N)cc1)c1nc2ccc(Br)cc2s1 ZINC000012140803 524059470 /nfs/dbraw/zinc/05/94/70/524059470.db2.gz BEMSUTPPIZJFIM-UHFFFAOYSA-N 1 0 429.343 4.139 50 30 IIEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000012416274 525783154 /nfs/dbraw/zinc/78/31/54/525783154.db2.gz OQYOZMIORSXUTK-IBGZPJMESA-N 1 0 449.334 4.142 50 30 IIEARO Cc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)C(C)(C)[NH2+]C(C)(C)C5)cc1 ZINC000020567157 525965475 /nfs/dbraw/zinc/96/54/75/525965475.db2.gz ZXFCULZSPVKCMO-OPEKNORGSA-N 1 0 434.569 4.358 50 30 IIEARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](Cc2cc(C#CCO)cs2)CC1 ZINC000012703832 527312176 /nfs/dbraw/zinc/31/21/76/527312176.db2.gz CKCGCRFKRZILFV-UHFFFAOYSA-N 1 0 437.590 4.066 50 30 IIEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000018212830 556687128 /nfs/dbraw/zinc/68/71/28/556687128.db2.gz HBKLCOBZOBGYJC-QFIPXVFZSA-N 1 0 440.515 4.145 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000019885482 556938192 /nfs/dbraw/zinc/93/81/92/556938192.db2.gz WVQKXNOVPSVHPD-QHCPKHFHSA-N 1 0 434.536 4.008 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2F)cc1C ZINC000019928653 556946344 /nfs/dbraw/zinc/94/63/44/556946344.db2.gz LGKBLXYLMQMFNO-JOCHJYFZSA-N 1 0 440.515 4.063 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(F)cc1 ZINC000019956369 556954910 /nfs/dbraw/zinc/95/49/10/556954910.db2.gz WPJDCYQPHJWULN-JOCHJYFZSA-N 1 0 440.515 4.063 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C)cc1 ZINC000020081254 556978618 /nfs/dbraw/zinc/97/86/18/556978618.db2.gz UGGRLACPPQTAGY-QHCPKHFHSA-N 1 0 436.552 4.232 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(F)cc1 ZINC000020150088 556991162 /nfs/dbraw/zinc/99/11/62/556991162.db2.gz BMVNEHPDWBKZEX-JOCHJYFZSA-N 1 0 440.515 4.145 50 30 IIEARO CCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000024192953 557139932 /nfs/dbraw/zinc/13/99/32/557139932.db2.gz JOZHGKFMJGNWSE-QHCPKHFHSA-N 1 0 448.519 4.362 50 30 IIEARO Cc1cc[n+](CC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000025557967 557214145 /nfs/dbraw/zinc/21/41/45/557214145.db2.gz UYKUHFTZRKMAQA-NMWGTECJSA-N 1 0 426.840 4.269 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000102500924 557338240 /nfs/dbraw/zinc/33/82/40/557338240.db2.gz RYXZDHCYOUIFCU-MRJHHRETSA-N 1 0 442.943 4.030 50 30 IIEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000104202298 557453145 /nfs/dbraw/zinc/45/31/45/557453145.db2.gz ISQHPCCMMOKMHY-HVESIFNPSA-N 1 0 439.364 4.428 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccccc2)cc1 ZINC000016732302 568792761 /nfs/dbraw/zinc/79/27/61/568792761.db2.gz CVQGHAVBTFORBC-HSZRJFAPSA-N 1 0 434.536 4.172 50 30 IIEARO C[N@@H+]1CCc2nc(SCC(=O)OCc3ccccc3)c(C#N)c(-c3ccccc3)c2C1 ZINC000016382256 568886071 /nfs/dbraw/zinc/88/60/71/568886071.db2.gz YITACYVWEFBXDA-UHFFFAOYSA-N 1 0 429.545 4.444 50 30 IIEARO CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[NH+](CCn2c(C)ccc2C)CC1 ZINC000020057694 569332754 /nfs/dbraw/zinc/33/27/54/569332754.db2.gz TVSUHWZAKJUWMU-UHFFFAOYSA-N 1 0 440.595 4.471 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccc(Cl)c1 ZINC000020150203 569336320 /nfs/dbraw/zinc/33/63/20/569336320.db2.gz UQGCPDNZLCRCAA-SFHVURJKSA-N 1 0 447.988 4.333 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(F)cc1 ZINC000020149894 569336353 /nfs/dbraw/zinc/33/63/53/569336353.db2.gz TXHFTYBMHIFEMP-LJQANCHMSA-N 1 0 445.560 4.209 50 30 IIEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccs3)oc21 ZINC000020219419 569356849 /nfs/dbraw/zinc/35/68/49/569356849.db2.gz IRKBCFCPCMYTFP-IBGZPJMESA-N 1 0 440.521 4.033 50 30 IIEARO C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020231387 569356981 /nfs/dbraw/zinc/35/69/81/569356981.db2.gz RFOKUWWZVYKJAN-OAQYLSRUSA-N 1 0 440.565 4.233 50 30 IIEARO COc1ccccc1CCC(=O)N1CCC[C@]2(C1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000096309801 569392412 /nfs/dbraw/zinc/39/24/12/569392412.db2.gz PTHWRUJACUKCGW-AREMUKBSSA-N 1 0 447.583 4.263 50 30 biogenic IIEARO COc1cccc(CNC(=O)N2CCC[C@]3(C2)Nc2cccnc2[NH+]=C3NC2CCCC2)c1 ZINC000096309835 569392458 /nfs/dbraw/zinc/39/24/58/569392458.db2.gz BUOGROCBUDLAPK-RUZDIDTESA-N 1 0 448.571 4.013 50 30 biogenic IIEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(Cl)c1 ZINC000008985969 569494813 /nfs/dbraw/zinc/49/48/13/569494813.db2.gz DXHZDIMQKNIVPX-JBCNATCCSA-N 1 0 438.911 4.460 50 30 IIEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3ccc(C)cc3)oc21 ZINC000009045557 569498102 /nfs/dbraw/zinc/49/81/02/569498102.db2.gz LTYATWVPUYAJOK-HOGKFDNTSA-N 1 0 448.519 4.123 50 30 IIEARO CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000009071819 569500151 /nfs/dbraw/zinc/50/01/51/569500151.db2.gz IZYSHERZLXXOCM-AYWGPLOBSA-N 1 0 436.552 4.239 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(C)o1 ZINC000009135567 569507094 /nfs/dbraw/zinc/50/70/94/569507094.db2.gz QKKOXPOOBJTZFB-HOGKFDNTSA-N 1 0 436.508 4.488 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccccc1 ZINC000009275790 569518388 /nfs/dbraw/zinc/51/83/88/569518388.db2.gz BKZXOIHVPIXECV-MOBKVPTQSA-N 1 0 448.519 4.205 50 30 IIEARO Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009360396 569525816 /nfs/dbraw/zinc/52/58/16/569525816.db2.gz ODKLYCFVXOLMCH-ZHHPLPSFSA-N 1 0 436.552 4.013 50 30 IIEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCc5cc(OC)c(OC)cc5C4)[C@H]3C[C@@H]12 ZINC000035363915 518660565 /nfs/dbraw/zinc/66/05/65/518660565.db2.gz WTPYXBISXXLCCB-KBDYNSQWSA-N 1 0 425.569 4.376 50 30 biogenic IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1C ZINC000022276177 520328830 /nfs/dbraw/zinc/32/88/30/520328830.db2.gz MWRRWFMIYOISEZ-QFIPXVFZSA-N 1 0 440.515 4.063 50 30 IIEARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccc(C#CC(C)(C)O)s2)CC1 ZINC000055182938 520466354 /nfs/dbraw/zinc/46/63/54/520466354.db2.gz ZFQRRGMPAGAWLU-UHFFFAOYSA-N 1 0 425.594 4.259 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccccc1 ZINC000102861439 520597980 /nfs/dbraw/zinc/59/79/80/520597980.db2.gz XBEKZEYAKXPQJK-NMARHNTASA-N 1 0 448.563 4.164 50 30 IIEARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccc(C#CC(C)(C)O)cc4)C3)C2)c1 ZINC000012373259 524397277 /nfs/dbraw/zinc/39/72/77/524397277.db2.gz CLBVGSWOOJQMLW-NDEPHWFRSA-N 1 0 430.592 4.246 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2F)cc1 ZINC000008817620 556218411 /nfs/dbraw/zinc/21/84/11/556218411.db2.gz JVWGGLHRUAUACY-JOCHJYFZSA-N 1 0 440.515 4.145 50 30 IIEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009009057 556240543 /nfs/dbraw/zinc/24/05/43/556240543.db2.gz MEEFBHGVWFJINP-JOCHJYFZSA-N 1 0 440.515 4.143 50 30 IIEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)cc1 ZINC000009360356 556285677 /nfs/dbraw/zinc/28/56/77/556285677.db2.gz JGOOYDOMPYBCSU-FQEVSTJZSA-N 1 0 428.554 4.065 50 30 IIEARO C[NH+](C)CCCNC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000016163116 556586730 /nfs/dbraw/zinc/58/67/30/556586730.db2.gz TYFPKZXOWIUUAH-UHFFFAOYSA-N 1 0 430.577 4.447 50 30 IIEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000019938515 556952534 /nfs/dbraw/zinc/95/25/34/556952534.db2.gz YTADPCZAAVMHQD-DEOSSOPVSA-N 1 0 448.563 4.480 50 30 IIEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000019938516 556952661 /nfs/dbraw/zinc/95/26/61/556952661.db2.gz YTADPCZAAVMHQD-XMMPIXPASA-N 1 0 448.563 4.480 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000020029294 556968118 /nfs/dbraw/zinc/96/81/18/556968118.db2.gz LEHABFYQDXKERK-QHCPKHFHSA-N 1 0 436.552 4.349 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1F ZINC000020132512 556987765 /nfs/dbraw/zinc/98/77/65/556987765.db2.gz DSLAFTKRLCBGKK-QFIPXVFZSA-N 1 0 436.483 4.492 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1OC ZINC000020192147 556996336 /nfs/dbraw/zinc/99/63/36/556996336.db2.gz ITFFSINLGAQSMU-NRFANRHFSA-N 1 0 442.943 4.269 50 30 IIEARO CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000016247070 557147706 /nfs/dbraw/zinc/14/77/06/557147706.db2.gz ASNQLSJLSWMQIE-QHCPKHFHSA-N 1 0 436.552 4.232 50 30 IIEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)ccc1OCC(C)C ZINC000102175603 557314299 /nfs/dbraw/zinc/31/42/99/557314299.db2.gz COPGVQXULAJAAS-MRJHHRETSA-N 1 0 442.581 4.075 50 30 IIEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000102528465 557354069 /nfs/dbraw/zinc/35/40/69/557354069.db2.gz IKQCVNXWKCFLNK-YDJIHCHBSA-N 1 0 441.597 4.257 50 30 IIEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)ccc1OC(C)C ZINC000102691492 557364136 /nfs/dbraw/zinc/36/41/36/557364136.db2.gz JELLMTWPGBFQKR-ZHHPLPSFSA-N 1 0 436.552 4.156 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(F)cc1 ZINC000102857640 557399094 /nfs/dbraw/zinc/39/90/94/557399094.db2.gz OPTQMXJIXRFEFK-HOGKFDNTSA-N 1 0 436.483 4.335 50 30 IIEARO O=C(N=C(NCc1ccncc1)Nc1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000045940083 557548678 /nfs/dbraw/zinc/54/86/78/557548678.db2.gz CQNOSBPNSGAKLA-UHFFFAOYSA-N 1 0 427.552 4.466 50 30 IIEARO C[C@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C/C(=N\O)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000008681860 562961722 /nfs/dbraw/zinc/96/17/22/562961722.db2.gz UVCZBQKGSYAGJD-JVNXOABYSA-N 1 0 444.660 4.147 50 30 biogenic IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(F)c2)[C@@H]1c1ccc(OC)cc1 ZINC000016731147 568792532 /nfs/dbraw/zinc/79/25/32/568792532.db2.gz DEODPEUSHPCOIF-QFIPXVFZSA-N 1 0 440.515 4.063 50 30 IIEARO CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CC[NH+](Cc3ccc(CC)o3)CC2)C1=O ZINC000014878760 568827427 /nfs/dbraw/zinc/82/74/27/568827427.db2.gz MUEBVYSISSCRKH-MHZLTWQESA-N 1 0 447.579 4.001 50 30 IIEARO C#CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@@H](C)CC ZINC000169678914 568990169 /nfs/dbraw/zinc/99/01/69/568990169.db2.gz XKQMEADLIKYDSS-JTHBVZDNSA-N 1 0 447.579 4.491 50 30 IIEARO COc1ccc(/C=N/c2ccc(OC[C@H](O)C[NH+]3[C@@H](C)CCC[C@@H]3C)cc2)cc1OC ZINC000027467182 569215244 /nfs/dbraw/zinc/21/52/44/569215244.db2.gz USIKSQCKMHPQEF-NERAINHLSA-N 1 0 426.557 4.457 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccccc1F ZINC000020134015 569335584 /nfs/dbraw/zinc/33/55/84/569335584.db2.gz OUBLUVUPEYDVBS-IBGZPJMESA-N 1 0 445.560 4.209 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccs1 ZINC000020190447 569355631 /nfs/dbraw/zinc/35/56/31/569355631.db2.gz VXPSJANRPULTTP-FQEVSTJZSA-N 1 0 428.554 4.067 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020219459 569356788 /nfs/dbraw/zinc/35/67/88/569356788.db2.gz IUDUWMWVNWGZJC-QFIPXVFZSA-N 1 0 440.540 4.295 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000020219460 569356857 /nfs/dbraw/zinc/35/68/57/569356857.db2.gz IUDUWMWVNWGZJC-JOCHJYFZSA-N 1 0 440.540 4.295 50 30 IIEARO CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020228425 569356934 /nfs/dbraw/zinc/35/69/34/569356934.db2.gz GDVNWEDDUZDHFQ-QHCPKHFHSA-N 1 0 436.552 4.396 50 30 IIEARO C[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)c(-c3ccccc3)c2C1 ZINC000020230592 569356995 /nfs/dbraw/zinc/35/69/95/569356995.db2.gz JMYGYFXUCQXKBL-UHFFFAOYSA-N 1 0 432.524 4.478 50 30 IIEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000020231902 569357142 /nfs/dbraw/zinc/35/71/42/569357142.db2.gz OQYOZMIORSXUTK-LJQANCHMSA-N 1 0 449.334 4.142 50 30 IIEARO COc1ccccc1NC(=O)N1CC[C@@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000096309984 569392515 /nfs/dbraw/zinc/39/25/15/569392515.db2.gz HFIZLHDJVUGLTC-VWLOTQADSA-N 1 0 442.523 4.203 50 30 biogenic IIEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009009086 569496267 /nfs/dbraw/zinc/49/62/67/569496267.db2.gz ZHNUPOQXQZZYCB-OAQYLSRUSA-N 1 0 442.943 4.267 50 30 IIEARO CCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000009177955 569509799 /nfs/dbraw/zinc/50/97/99/569509799.db2.gz FMXRKEAASYACGF-MRJHHRETSA-N 1 0 442.581 4.300 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OC)cc1 ZINC000009232843 569513798 /nfs/dbraw/zinc/51/37/98/569513798.db2.gz XZXBXTYDFQGRHN-ZHHPLPSFSA-N 1 0 448.519 4.205 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000009270647 569517659 /nfs/dbraw/zinc/51/76/59/569517659.db2.gz CXXJNWNDOWNBII-MOBKVPTQSA-N 1 0 440.540 4.139 50 30 IIEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000009339559 569523777 /nfs/dbraw/zinc/52/37/77/569523777.db2.gz DNOFLEWNEFCVSN-AYWGPLOBSA-N 1 0 434.536 4.015 50 30 IIEARO C#CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 ZINC000036308688 518311338 /nfs/dbraw/zinc/31/13/38/518311338.db2.gz AEJQSBSUTVAOMQ-XMMPIXPASA-N 1 0 445.563 4.196 50 30 IIEARO C=C(C)[C@@H]1CC=C(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)CC1 ZINC000012715730 518643145 /nfs/dbraw/zinc/64/31/45/518643145.db2.gz AACSUCVUEFINAF-OAQYLSRUSA-N 1 0 442.600 4.217 50 30 IIEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@H]12 ZINC000061996965 518663348 /nfs/dbraw/zinc/66/33/48/518663348.db2.gz YYNSVIHMXBJYSY-BBPVLXATSA-N 1 0 439.556 4.031 50 30 biogenic IIEARO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1C[NH+]1CCC(C)CC1 ZINC000035991748 518841260 /nfs/dbraw/zinc/84/12/60/518841260.db2.gz HSVYSBYAVIIEMZ-OAQYLSRUSA-N 1 0 431.964 4.141 50 30 IIEARO C=CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000036308223 518993394 /nfs/dbraw/zinc/99/33/94/518993394.db2.gz VIWBFXZZAABGEH-JOCHJYFZSA-N 1 0 433.552 4.407 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccs1 ZINC000020190451 520602995 /nfs/dbraw/zinc/60/29/95/520602995.db2.gz VXPSJANRPULTTP-HXUWFJFHSA-N 1 0 428.554 4.067 50 30 IIEARO [NH2+]=C(Nc1ccc(Br)cc1)S[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000012428727 526811869 /nfs/dbraw/zinc/81/18/69/526811869.db2.gz KEYVWVUFHCQWCC-AWEZNQCLSA-N 1 0 438.734 4.114 50 30 IIEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2F)cc1 ZINC000008856414 556227484 /nfs/dbraw/zinc/22/74/84/556227484.db2.gz ZJBFJINBZDWCKS-JOCHJYFZSA-N 1 0 440.515 4.143 50 30 IIEARO Cc1cccc[n+]1CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000033591095 556566584 /nfs/dbraw/zinc/56/65/84/556566584.db2.gz IWVJPKHSMHIIBO-NMWGTECJSA-N 1 0 426.840 4.269 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000017123750 556668645 /nfs/dbraw/zinc/66/86/45/556668645.db2.gz FKUFAUKJOSGBND-OAQYLSRUSA-N 1 0 442.943 4.187 50 30 IIEARO CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000019929343 556947656 /nfs/dbraw/zinc/94/76/56/556947656.db2.gz LEMFMPLQECVLNV-QHCPKHFHSA-N 1 0 436.552 4.096 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccs1 ZINC000020057256 556975003 /nfs/dbraw/zinc/97/50/03/556975003.db2.gz WZWPQWBAUHMPKX-NRFANRHFSA-N 1 0 442.581 4.455 50 30 IIEARO CC(C)[N+](=O)Cc1ccc(O[C@H](C(=O)c2ccc(Cl)cc2Cl)n2cncn2)cc1 ZINC000111264892 557044900 /nfs/dbraw/zinc/04/49/00/557044900.db2.gz ABNHHYQLOJFMSD-DJRZNSPTSA-N 1 0 433.295 4.383 50 30 IIEARO C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000024192955 557140054 /nfs/dbraw/zinc/14/00/54/557140054.db2.gz GRYSOEOOKRZYEF-QHCPKHFHSA-N 1 0 446.503 4.138 50 30 IIEARO C=CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000101314112 557272485 /nfs/dbraw/zinc/27/24/85/557272485.db2.gz OUVONPKZYAGRGL-JBCNATCCSA-N 1 0 440.565 4.076 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)o2)cc1Cl ZINC000102523113 557352841 /nfs/dbraw/zinc/35/28/41/557352841.db2.gz GHAUOJSZMQXZSX-NHFXJNLRSA-N 1 0 446.931 4.014 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccccc1 ZINC000102861431 557402293 /nfs/dbraw/zinc/40/22/93/557402293.db2.gz XBEKZEYAKXPQJK-KMTZBVMPSA-N 1 0 448.563 4.164 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccco2)cc1Cl ZINC000020168582 568836875 /nfs/dbraw/zinc/83/68/75/568836875.db2.gz YAAWMOLBNGLVIY-HXUWFJFHSA-N 1 0 446.931 4.252 50 30 IIEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000020230721 569356984 /nfs/dbraw/zinc/35/69/84/569356984.db2.gz WSKAHVNYVUUKOZ-QHCPKHFHSA-N 1 0 434.536 4.172 50 30 IIEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000020264585 569358416 /nfs/dbraw/zinc/35/84/16/569358416.db2.gz SYSBHGNGLLHBCQ-JOCHJYFZSA-N 1 0 438.524 4.155 50 30 IIEARO CCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000020264794 569358493 /nfs/dbraw/zinc/35/84/93/569358493.db2.gz PNWPZGXSNTWOIB-NRFANRHFSA-N 1 0 442.581 4.457 50 30 IIEARO O=C(CSc1ccccc1)N1CCC[C@]2(C1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000096309809 569392475 /nfs/dbraw/zinc/39/24/75/569392475.db2.gz XKRLTDSCFFSLJG-XMMPIXPASA-N 1 0 435.597 4.414 50 30 biogenic IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009186479 569510200 /nfs/dbraw/zinc/51/02/00/569510200.db2.gz OTHPRVGTQFYIBQ-JOCHJYFZSA-N 1 0 440.515 4.145 50 30 IIEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(Cl)cc1 ZINC000009235047 569514045 /nfs/dbraw/zinc/51/40/45/569514045.db2.gz STMQJKIHAYPYEC-MRJHHRETSA-N 1 0 438.911 4.460 50 30 IIEARO C=CCn1c(SCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)nnc1-c1ccoc1C ZINC000009365832 569526181 /nfs/dbraw/zinc/52/61/81/569526181.db2.gz DKTUKVVVJLEATK-UHFFFAOYSA-N 1 0 437.569 4.359 50 30 IIEARO C=CCC(O)(CC=C)CNC(=O)c1cc(OC)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000020453324 518688688 /nfs/dbraw/zinc/68/86/88/518688688.db2.gz XMVCZDQCRLYKEE-UHFFFAOYSA-N 1 0 442.600 4.094 50 30 IIEARO C=CCOC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000036146586 518989350 /nfs/dbraw/zinc/98/93/50/518989350.db2.gz JMINTAAOYOSRBR-GOTSBHOMSA-N 1 0 428.960 4.207 50 30 IIEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000009008570 520467331 /nfs/dbraw/zinc/46/73/31/520467331.db2.gz MXGDXOTZSGQYAL-HOGKFDNTSA-N 1 0 440.540 4.222 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000009302139 523369271 /nfs/dbraw/zinc/36/92/71/523369271.db2.gz DIGKNTCAQVPERH-JBCNATCCSA-N 1 0 442.943 4.030 50 30 IIEARO Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000013569907 525354183 /nfs/dbraw/zinc/35/41/83/525354183.db2.gz ZMBBJEACTPDORP-HSZRJFAPSA-N 1 0 436.552 4.312 50 30 IIEARO O=C1C[C@H](c2c(F)cccc2Cl)[C@H](n2cncn2)C(=O)C1[C@@H]1[NH2+]CCc2ccccc21 ZINC000013598823 527031549 /nfs/dbraw/zinc/03/15/49/527031549.db2.gz ADLQZXHMGGBTEF-RTOPAQNCSA-N 1 0 438.890 4.067 50 30 IIEARO C=CCNC(=O)[C@@H]1C[C@@H](c2ccc(F)c(C)c2)C[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000034716842 555866380 /nfs/dbraw/zinc/86/63/80/555866380.db2.gz KGIYXPNGFMGHNB-NHCUHLMSSA-N 1 0 426.532 4.059 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)o2)cc1Cl ZINC000008836126 556225954 /nfs/dbraw/zinc/22/59/54/556225954.db2.gz KJXZMGDDQSIRJQ-FQEVSTJZSA-N 1 0 446.931 4.170 50 30 IIEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000032776993 556327133 /nfs/dbraw/zinc/32/71/33/556327133.db2.gz DBHFOLJCYNWFFU-UHFFFAOYSA-N 1 0 434.009 4.185 50 30 IIEARO COc1c2c(cc3c1[C@@H](C(=O)Nc1ccccc1)[N@+](C)(Cc1ccccc1)CC3)OCO2 ZINC000248022156 556656538 /nfs/dbraw/zinc/65/65/38/556656538.db2.gz JOXWNWICYQEYLB-FIPFOOKPSA-O 1 0 431.512 4.307 50 30 biogenic IIEARO COc1cc(OC)c(OC)cc1/C=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000019682339 556841862 /nfs/dbraw/zinc/84/18/62/556841862.db2.gz KTQQZIDFOMMUNZ-MTDXEUNCSA-N 1 0 443.547 4.434 50 30 IIEARO COc1cc(/C=N/N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1O ZINC000019808423 556918373 /nfs/dbraw/zinc/91/83/73/556918373.db2.gz OXPFORPTVXTJSC-WPWMEQJKSA-N 1 0 429.520 4.131 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000019885484 556938647 /nfs/dbraw/zinc/93/86/47/556938647.db2.gz WVQKXNOVPSVHPD-HSZRJFAPSA-N 1 0 434.536 4.008 50 30 IIEARO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000048313078 557067327 /nfs/dbraw/zinc/06/73/27/557067327.db2.gz ACNTXXTZANLRED-UHFFFAOYSA-N 1 0 426.369 4.008 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccco1 ZINC000102877030 557406750 /nfs/dbraw/zinc/40/67/50/557406750.db2.gz WNPFGNKIVXHWKD-NHFXJNLRSA-N 1 0 446.931 4.095 50 30 IIEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)cc1C ZINC000102932407 557413130 /nfs/dbraw/zinc/41/31/30/557413130.db2.gz VROUSIXTFHYMBU-MRJHHRETSA-N 1 0 442.581 4.219 50 30 IIEARO C=CCOC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC000104985118 568623591 /nfs/dbraw/zinc/62/35/91/568623591.db2.gz JMINTAAOYOSRBR-DHIUTWEWSA-N 1 0 428.960 4.207 50 30 IIEARO CC(C)[N+](=O)Cc1ccc(O[C@H](C(=O)c2ccc(Cl)cc2Cl)n2cncn2)cc1 ZINC000000973007 568647756 /nfs/dbraw/zinc/64/77/56/568647756.db2.gz ABNHHYQLOJFMSD-XRKUVSHFSA-N 1 0 433.295 4.383 50 30 IIEARO C=CCC(O)(CC=C)[C@H](C)NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011667893 568820657 /nfs/dbraw/zinc/82/06/57/568820657.db2.gz MVWIESFDAJDQHB-NRFANRHFSA-N 1 0 449.595 4.127 50 30 IIEARO CC(C)(O)C#Cc1ccc(C[N@H+]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000012037466 568821558 /nfs/dbraw/zinc/82/15/58/568821558.db2.gz SRRQEPSWCJWXBI-UHFFFAOYSA-N 1 0 444.497 4.062 50 30 IIEARO CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000019808425 569329806 /nfs/dbraw/zinc/32/98/06/569329806.db2.gz RPQTZFHLHSUHEM-UHFFFAOYSA-N 1 0 439.563 4.431 50 30 IIEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000020132708 569335429 /nfs/dbraw/zinc/33/54/29/569335429.db2.gz VNCOMFULNAQOGV-HSZRJFAPSA-N 1 0 436.552 4.349 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccccc1F ZINC000020134019 569335546 /nfs/dbraw/zinc/33/55/46/569335546.db2.gz OUBLUVUPEYDVBS-LJQANCHMSA-N 1 0 445.560 4.209 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000020190298 569355641 /nfs/dbraw/zinc/35/56/41/569355641.db2.gz WDLXGGYJSQQKPC-OAQYLSRUSA-N 1 0 442.943 4.269 50 30 IIEARO COc1cccc(NC(=O)N2CCC[C@@]3(C2)Nc2cccnc2[NH+]=C3NC2CCCC2)c1 ZINC000096309828 569392420 /nfs/dbraw/zinc/39/24/20/569392420.db2.gz ZAWDHZKTHOWXRB-DEOSSOPVSA-N 1 0 434.544 4.335 50 30 biogenic IIEARO Cc1cccc(N2CC[N@@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)C[C@H]2C)c1 ZINC000059415270 569461324 /nfs/dbraw/zinc/46/13/24/569461324.db2.gz PRAKNMCMUCYNKL-ZTAZMSOLSA-N 1 0 438.612 4.031 50 30 biogenic IIEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000008818062 569476922 /nfs/dbraw/zinc/47/69/22/569476922.db2.gz LJAJTLHQQMKVTD-NXLSWJSLSA-N 1 0 448.563 4.323 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000008836705 569478128 /nfs/dbraw/zinc/47/81/28/569478128.db2.gz FOXBVIMSMLMKCS-MRJHHRETSA-N 1 0 442.943 4.112 50 30 IIEARO C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(C)c12 ZINC000008878173 569481257 /nfs/dbraw/zinc/48/12/57/569481257.db2.gz IPSYYNIGRHKMRY-UHFFFAOYSA-N 1 0 440.584 4.333 50 30 biogenic IIEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(Cl)c1 ZINC000008985974 569494836 /nfs/dbraw/zinc/49/48/36/569494836.db2.gz DXHZDIMQKNIVPX-MRJHHRETSA-N 1 0 438.911 4.460 50 30 IIEARO CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000009177952 569509765 /nfs/dbraw/zinc/50/97/65/569509765.db2.gz FMXRKEAASYACGF-JBCNATCCSA-N 1 0 442.581 4.300 50 30 IIEARO C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000010233149 569579468 /nfs/dbraw/zinc/57/94/68/569579468.db2.gz KCOHZPZNNSTWMN-DEOSSOPVSA-N 1 0 446.547 4.472 50 30 IIEARO C=CCC(O)(CC=C)CNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012386509 518687700 /nfs/dbraw/zinc/68/77/00/518687700.db2.gz BRGJAHJKMVXYEI-UHFFFAOYSA-N 1 0 448.607 4.386 50 30 IIEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000008899195 519046444 /nfs/dbraw/zinc/04/64/44/519046444.db2.gz VIKNYKOYZQHRIA-NXLSWJSLSA-N 1 0 448.563 4.405 50 30 IIEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000008898302 519057699 /nfs/dbraw/zinc/05/76/99/519057699.db2.gz OMKHICHFQBDNGF-SBXHHDGASA-N 1 0 448.563 4.405 50 30 IIEARO C=CCn1c(SC[C@@H]2C[NH2+][C@@H](c3ccc(N(C)C)cc3)O2)nnc1C1CCCCC1 ZINC000057647595 519235910 /nfs/dbraw/zinc/23/59/10/519235910.db2.gz LIENJNVDJPQXPW-RBBKRZOGSA-N 1 0 427.618 4.357 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2F)cc1C ZINC000022275944 520327779 /nfs/dbraw/zinc/32/77/79/520327779.db2.gz NOZKXSAZNLUZQI-JOCHJYFZSA-N 1 0 440.515 4.063 50 30 IIEARO O=C1C[C@H](c2c(F)cccc2Cl)[C@H](n2cncn2)C(=O)C1[C@H]1[NH2+]CCc2ccccc21 ZINC000013598825 527032047 /nfs/dbraw/zinc/03/20/47/527032047.db2.gz ADLQZXHMGGBTEF-YDFBLROQSA-N 1 0 438.890 4.067 50 30 IIEARO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(I)c1OCC#N ZINC000002885168 555857804 /nfs/dbraw/zinc/85/78/04/555857804.db2.gz OXZHOBVDFXWJRT-AWEZNQCLSA-N 1 0 436.293 4.443 50 30 IIEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)ccc1OCC(C)C ZINC000009302011 556275887 /nfs/dbraw/zinc/27/58/87/556275887.db2.gz YFAHFVPSTPKBIE-NRFANRHFSA-N 1 0 442.581 4.231 50 30 IIEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1cccc(C(C)C)c1 ZINC000032858404 556434809 /nfs/dbraw/zinc/43/48/09/556434809.db2.gz YAILYPBRFJPJKC-UHFFFAOYSA-N 1 0 427.618 4.347 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(C)cc2)cc1 ZINC000016732512 556631983 /nfs/dbraw/zinc/63/19/83/556631983.db2.gz XBMGDTSATKREHQ-XMMPIXPASA-N 1 0 448.563 4.480 50 30 IIEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccc(Br)c1 ZINC000019884938 556938347 /nfs/dbraw/zinc/93/83/47/556938347.db2.gz HUWYDDITAHFTQR-QGZVFWFLSA-N 1 0 449.370 4.041 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000019928846 556946611 /nfs/dbraw/zinc/94/66/11/556946611.db2.gz ZQNMWFZMXLXSRU-QHCPKHFHSA-N 1 0 436.552 4.232 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1F ZINC000020132516 556987699 /nfs/dbraw/zinc/98/76/99/556987699.db2.gz DSLAFTKRLCBGKK-JOCHJYFZSA-N 1 0 436.483 4.492 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(F)c1 ZINC000020132944 556987792 /nfs/dbraw/zinc/98/77/92/556987792.db2.gz YATTWUOZNIMHSR-QFIPXVFZSA-N 1 0 436.483 4.492 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000020229220 557001686 /nfs/dbraw/zinc/00/16/86/557001686.db2.gz UMBHDSMLWIKHQP-NRFANRHFSA-N 1 0 440.927 4.045 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020230963 557001736 /nfs/dbraw/zinc/00/17/36/557001736.db2.gz URVCHKDFKXQYDU-QHCPKHFHSA-N 1 0 436.552 4.394 50 30 IIEARO O=C1C[C@@H](c2c(F)cccc2Cl)[C@H](n2cncn2)C(=O)C1[C@H]1[NH2+]CCc2ccccc21 ZINC000020405839 557013907 /nfs/dbraw/zinc/01/39/07/557013907.db2.gz ADLQZXHMGGBTEF-RXYZOABWSA-N 1 0 438.890 4.067 50 30 IIEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)cc1 ZINC000102170060 557313931 /nfs/dbraw/zinc/31/39/31/557313931.db2.gz GYFHQHTZZPLBBT-AYWGPLOBSA-N 1 0 436.552 4.095 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)cc1Cl ZINC000102543917 557348724 /nfs/dbraw/zinc/34/87/24/557348724.db2.gz OKGVQKXDGDFSBJ-MRJHHRETSA-N 1 0 442.943 4.112 50 30 IIEARO C#CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@H](C)CC ZINC000105006827 557471645 /nfs/dbraw/zinc/47/16/45/557471645.db2.gz XKQMEADLIKYDSS-FYYLOGMGSA-N 1 0 447.579 4.491 50 30 IIEARO O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3ccccc3C#Cc3ccccc3)[N@@H+]3CCC[C@@]123 ZINC000012306566 562981048 /nfs/dbraw/zinc/98/10/48/562981048.db2.gz BVZMDKSFUGHPNM-RWPDHJIBSA-N 1 0 433.555 4.419 50 30 IIEARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3ccc(C#CC(C)(C)O)s3)C2)cc1 ZINC000011753630 568820579 /nfs/dbraw/zinc/82/05/79/568820579.db2.gz YKQDVSLPDHMZTB-QFIPXVFZSA-N 1 0 440.653 4.266 50 30 IIEARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3ccc(C#CC(C)(C)O)s3)C2)cc1 ZINC000011753631 568820613 /nfs/dbraw/zinc/82/06/13/568820613.db2.gz YKQDVSLPDHMZTB-JOCHJYFZSA-N 1 0 440.653 4.266 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccco2)cc1Cl ZINC000020168585 568836853 /nfs/dbraw/zinc/83/68/53/568836853.db2.gz YAAWMOLBNGLVIY-FQEVSTJZSA-N 1 0 446.931 4.252 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccc(Cl)c1 ZINC000020150204 569336337 /nfs/dbraw/zinc/33/63/37/569336337.db2.gz UQGCPDNZLCRCAA-GOSISDBHSA-N 1 0 447.988 4.333 50 30 IIEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020230209 569356938 /nfs/dbraw/zinc/35/69/38/569356938.db2.gz CJBWBRZCNCLRRP-QHCPKHFHSA-N 1 0 434.536 4.172 50 30 IIEARO CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000020264797 569358535 /nfs/dbraw/zinc/35/85/35/569358535.db2.gz PNWPZGXSNTWOIB-OAQYLSRUSA-N 1 0 442.581 4.457 50 30 IIEARO CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000020265453 569358666 /nfs/dbraw/zinc/35/86/66/569358666.db2.gz GARGHYXYNIRVBG-QFIPXVFZSA-N 1 0 440.540 4.379 50 30 IIEARO N#Cc1ccc(CCC(=O)N2CCC([N@@H+]3CCC[C@H]3COCc3ccccc3)CC2)cc1 ZINC000217598482 569449736 /nfs/dbraw/zinc/44/97/36/569449736.db2.gz SNLKJVKTGAOMAV-SANMLTNESA-N 1 0 431.580 4.163 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1F ZINC000009046571 569498388 /nfs/dbraw/zinc/49/83/88/569498388.db2.gz QGXWGADOOMHTOJ-NHFXJNLRSA-N 1 0 430.907 4.243 50 30 IIEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)cc1 ZINC000009243831 569515033 /nfs/dbraw/zinc/51/50/33/569515033.db2.gz QVQMMMYKJOTNCT-HSZRJFAPSA-N 1 0 436.552 4.396 50 30 IIEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1 ZINC000009357000 569525551 /nfs/dbraw/zinc/52/55/51/569525551.db2.gz OKRLEJBKTYBITO-QFIPXVFZSA-N 1 0 440.515 4.000 50 30 IIEARO C#CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C(C)C ZINC000036316032 518299451 /nfs/dbraw/zinc/29/94/51/518299451.db2.gz VPQMLOQTIWYRIS-QHCPKHFHSA-N 1 0 447.579 4.409 50 30 IIEARO C#Cc1cccc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000011816753 518359700 /nfs/dbraw/zinc/35/97/00/518359700.db2.gz VGWCGAXKAWYUSW-NDEPHWFRSA-N 1 0 442.603 4.169 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C)cc1 ZINC000020190929 520601726 /nfs/dbraw/zinc/60/17/26/520601726.db2.gz IAJQLELTTFMGEU-HSZRJFAPSA-N 1 0 436.552 4.314 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccs1 ZINC000020133667 520603015 /nfs/dbraw/zinc/60/30/15/520603015.db2.gz DRCCZKDSKZRGRX-FQEVSTJZSA-N 1 0 428.554 4.067 50 30 IIEARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccc(C#CCCO)cc2)C1 ZINC000012713535 521180708 /nfs/dbraw/zinc/18/07/08/521180708.db2.gz FVQKTSWLELBTKQ-HHHXNRCGSA-N 1 0 435.564 4.035 50 30 IIEARO COc1cc(/C=N/N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1OC ZINC000012467722 521988079 /nfs/dbraw/zinc/98/80/79/521988079.db2.gz PWBFJEQCGAJBMN-MTDXEUNCSA-N 1 0 443.547 4.434 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000013563398 523550223 /nfs/dbraw/zinc/55/02/23/523550223.db2.gz MDEKALWZJDTHQG-OAQYLSRUSA-N 1 0 442.943 4.187 50 30 IIEARO O=C([O-])c1ccc(NC(=[NH+]CCc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000021046680 526360569 /nfs/dbraw/zinc/36/05/69/526360569.db2.gz SOFSGYKIZQSJBR-UHFFFAOYSA-N 1 0 434.584 4.155 50 30 IIEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)ccc1OC(C)C ZINC000008744138 556208478 /nfs/dbraw/zinc/20/84/78/556208478.db2.gz GTOSMQGYTNNGIH-HSZRJFAPSA-N 1 0 436.552 4.312 50 30 IIEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000008838046 556226422 /nfs/dbraw/zinc/22/64/22/556226422.db2.gz ZDNCDMXSWMMSRR-HSZRJFAPSA-N 1 0 434.536 4.090 50 30 IIEARO CCCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000016247232 556593976 /nfs/dbraw/zinc/59/39/76/556593976.db2.gz FXLDZRULKUHODZ-JOCHJYFZSA-N 1 0 440.540 4.379 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(F)c2)cc1Cl ZINC000016733197 556632248 /nfs/dbraw/zinc/63/22/48/556632248.db2.gz BHNQTNACKWDNCD-FQEVSTJZSA-N 1 0 446.906 4.018 50 30 IIEARO COc1cc(/C=N/N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)ccc1OC(C)=O ZINC000019861280 556933625 /nfs/dbraw/zinc/93/36/25/556933625.db2.gz KFXHIJXMFRDODQ-MTDXEUNCSA-N 1 0 441.531 4.342 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)c(C)c1 ZINC000019928901 556946867 /nfs/dbraw/zinc/94/68/67/556946867.db2.gz MVYHXFGWGKHFHS-HSZRJFAPSA-N 1 0 436.552 4.314 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(F)cc1 ZINC000019957169 556954928 /nfs/dbraw/zinc/95/49/28/556954928.db2.gz YOBCQGMJFLPNNU-QFIPXVFZSA-N 1 0 440.515 4.063 50 30 IIEARO Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020057701 556975077 /nfs/dbraw/zinc/97/50/77/556975077.db2.gz DVABCSVUZZIKBB-QHCPKHFHSA-N 1 0 436.552 4.312 50 30 IIEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020192687 556996620 /nfs/dbraw/zinc/99/66/20/556996620.db2.gz JAFZOOLCAWKTAJ-JOCHJYFZSA-N 1 0 440.515 4.145 50 30 IIEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000020281827 557005373 /nfs/dbraw/zinc/00/53/73/557005373.db2.gz UOEJXPRSGMYBJL-OAQYLSRUSA-N 1 0 442.943 4.267 50 30 IIEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000101314024 557272451 /nfs/dbraw/zinc/27/24/51/557272451.db2.gz BBZXKKPLMYYQIG-ZHHPLPSFSA-N 1 0 434.536 4.015 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C)cc1 ZINC000102527245 557353791 /nfs/dbraw/zinc/35/37/91/557353791.db2.gz XDNOMQBVTCUUPR-AYWGPLOBSA-N 1 0 436.552 4.076 50 30 IIEARO N#Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)cc1Cl ZINC000014803928 557456723 /nfs/dbraw/zinc/45/67/23/557456723.db2.gz UQHHCOCOZLPYIC-UHFFFAOYSA-N 1 0 438.875 4.210 50 30 IIEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[NH2+][C@H]3CCCC[C@@H]3Cc3ccco3)C(=O)O[C@@H]1C2 ZINC000105366646 557496340 /nfs/dbraw/zinc/49/63/40/557496340.db2.gz GXZYBCLGOGIELF-YQQHWUCJSA-N 1 0 427.585 4.498 50 30 biogenic IIEARO C=C(C)C[N@@H+](CC)Cc1cc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1OC ZINC000101250727 568853661 /nfs/dbraw/zinc/85/36/61/568853661.db2.gz IFHQLPZFIALOEH-LADGPHEKSA-N 1 0 433.552 4.263 50 30 IIEARO O[C@H](CON=C1c2ccccc2-c2ccccc21)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000019891790 569331805 /nfs/dbraw/zinc/33/18/05/569331805.db2.gz HRPCDZZGTASGJD-NRFANRHFSA-N 1 0 447.966 4.273 50 30 IIEARO CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020133707 569335562 /nfs/dbraw/zinc/33/55/62/569335562.db2.gz CWAYJLSAQWPHIG-HSZRJFAPSA-N 1 0 448.519 4.362 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 ZINC000020190926 569355640 /nfs/dbraw/zinc/35/56/40/569355640.db2.gz IAJQLELTTFMGEU-QHCPKHFHSA-N 1 0 436.552 4.314 50 30 IIEARO CO/N=C/c1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000020219038 569356843 /nfs/dbraw/zinc/35/68/43/569356843.db2.gz SIVYXHRPJCLESR-LGUFXXKBSA-N 1 0 430.508 4.487 50 30 IIEARO CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020233257 569357135 /nfs/dbraw/zinc/35/71/35/569357135.db2.gz AFAQVINQFPVGNX-FQEVSTJZSA-N 1 0 428.554 4.067 50 30 IIEARO COc1ccc(NC(=O)N2CC[C@@]3(C2)Nc2cccnc2[NH+]=C3NCc2ccccc2)cc1 ZINC000096309982 569392424 /nfs/dbraw/zinc/39/24/24/569392424.db2.gz MYRIEQNYPLNNBB-VWLOTQADSA-N 1 0 442.523 4.203 50 30 biogenic IIEARO COc1ccccc1CCC(=O)N1CCC[C@@]2(C1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000096309802 569392469 /nfs/dbraw/zinc/39/24/69/569392469.db2.gz PTHWRUJACUKCGW-SANMLTNESA-N 1 0 447.583 4.263 50 30 biogenic IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000009339549 569523806 /nfs/dbraw/zinc/52/38/06/569523806.db2.gz GNALZYXEYCQISC-MRJHHRETSA-N 1 0 442.943 4.112 50 30 IIEARO C#Cc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)cc1 ZINC000012320333 518359767 /nfs/dbraw/zinc/35/97/67/518359767.db2.gz KWPJMTWVTBRKAI-UHFFFAOYSA-N 1 0 425.532 4.036 50 30 IIEARO C=C[C@@](C)(O)C[N@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000036310243 519297261 /nfs/dbraw/zinc/29/72/61/519297261.db2.gz LCJOIPIYGOLCGS-WIOPSUGQSA-N 1 0 442.625 4.210 50 30 IIEARO CCCCCCCCCCCCCCCCn1c(NCC[NH3+])nc2c1c(=O)[nH]c(=O)n2C ZINC000097949469 520003860 /nfs/dbraw/zinc/00/38/60/520003860.db2.gz XGSWKEHBISOKOO-UHFFFAOYSA-N 1 0 448.656 4.275 50 30 IIEARO CC[C@H](C)[N@H+](CCN1CC(=O)C(c2nc3ccccc3s2)=C1N)Cc1cccs1 ZINC000064838207 523936348 /nfs/dbraw/zinc/93/63/48/523936348.db2.gz FXXNOPKBXQOJIE-HNNXBMFYSA-N 1 0 426.611 4.171 50 30 IIEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2F)cc1 ZINC000008856413 556227457 /nfs/dbraw/zinc/22/74/57/556227457.db2.gz ZJBFJINBZDWCKS-QFIPXVFZSA-N 1 0 440.515 4.143 50 30 IIEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1ccc(Cl)cc1C ZINC000032777056 556327619 /nfs/dbraw/zinc/32/76/19/556327619.db2.gz KOIDTIAWCSPIOG-UHFFFAOYSA-N 1 0 434.009 4.185 50 30 IIEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1cc(C)n(C(C)C)c1C ZINC000032777094 556327887 /nfs/dbraw/zinc/32/78/87/556327887.db2.gz ITCATPGJLUFZBU-UHFFFAOYSA-N 1 0 429.634 4.467 50 30 IIEARO COc1cc(C=NNC(N)=[NH2+])cc(Br)c1OCc1cccc2ccccc21 ZINC000033362282 556562757 /nfs/dbraw/zinc/56/27/57/556562757.db2.gz MZYDPINYIXUVKM-BHGWPJFGSA-N 1 0 427.302 4.007 50 30 IIEARO COc1ccc(Cl)cc1NC(=[NH2+])Nc1nc(CSc2ccc(C)cc2)cc(=O)[nH]1 ZINC000018213550 556687197 /nfs/dbraw/zinc/68/71/97/556687197.db2.gz KLDJDIDUNRBVGW-UHFFFAOYSA-N 1 0 429.933 4.091 50 30 aggregator IIEARO COc1cc(/C=N\N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1OC ZINC000019682327 556841876 /nfs/dbraw/zinc/84/18/76/556841876.db2.gz PWBFJEQCGAJBMN-VEILYXNESA-N 1 0 443.547 4.434 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000019885548 556938522 /nfs/dbraw/zinc/93/85/22/556938522.db2.gz NCIIIJQQKGLWHB-IBGZPJMESA-N 1 0 449.334 4.142 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)c(C)c1 ZINC000019928902 556946927 /nfs/dbraw/zinc/94/69/27/556946927.db2.gz MVYHXFGWGKHFHS-QHCPKHFHSA-N 1 0 436.552 4.314 50 30 IIEARO CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000019938522 556952715 /nfs/dbraw/zinc/95/27/15/556952715.db2.gz HKOMCGDBEYSPIZ-HXUWFJFHSA-N 1 0 428.554 4.067 50 30 IIEARO Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020057700 556975072 /nfs/dbraw/zinc/97/50/72/556975072.db2.gz DVABCSVUZZIKBB-HSZRJFAPSA-N 1 0 436.552 4.312 50 30 IIEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3ccc(C)cc3)oc21 ZINC000020219437 556999908 /nfs/dbraw/zinc/99/99/08/556999908.db2.gz BNFDBSKXDDLTTD-QFIPXVFZSA-N 1 0 448.519 4.280 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccccc1 ZINC000020289234 557005256 /nfs/dbraw/zinc/00/52/56/557005256.db2.gz JQLWNMIZPBYERW-UUOWRZLLSA-N 1 0 448.563 4.320 50 30 IIEARO Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020437072 557016936 /nfs/dbraw/zinc/01/69/36/557016936.db2.gz AOEGLPXKSGRLJQ-HSZRJFAPSA-N 1 0 436.552 4.170 50 30 IIEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000101294429 557270193 /nfs/dbraw/zinc/27/01/93/557270193.db2.gz VIKNYKOYZQHRIA-SBXHHDGASA-N 1 0 448.563 4.405 50 30 IIEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)cc1 ZINC000102170204 557313991 /nfs/dbraw/zinc/31/39/91/557313991.db2.gz FQLLOQKPSRXSDI-JBCNATCCSA-N 1 0 442.581 4.156 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)cc1Cl ZINC000102874447 557396521 /nfs/dbraw/zinc/39/65/21/557396521.db2.gz OIBGPXGLJCRTKR-LFVOPCPISA-N 1 0 448.972 4.174 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccc1 ZINC000102894534 557406138 /nfs/dbraw/zinc/40/61/38/557406138.db2.gz VPVBTROYTJAODX-AYWGPLOBSA-N 1 0 436.552 4.237 50 30 IIEARO CC(C)[N+](=O)Cc1ccc(O[C@@H](C(=O)c2ccc(Cl)cc2Cl)n2cncn2)cc1 ZINC000000973005 568647751 /nfs/dbraw/zinc/64/77/51/568647751.db2.gz ABNHHYQLOJFMSD-KYEVLJSASA-N 1 0 433.295 4.383 50 30 IIEARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)C#Cc2ccccc2)CC1 ZINC000014964534 568827836 /nfs/dbraw/zinc/82/78/36/568827836.db2.gz ZQWVPWPDLAQVFG-MHZLTWQESA-N 1 0 430.592 4.266 50 30 IIEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020192832 569355799 /nfs/dbraw/zinc/35/57/99/569355799.db2.gz MVGSLSYIYWCWQZ-OAQYLSRUSA-N 1 0 440.927 4.045 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1F ZINC000020228947 569356962 /nfs/dbraw/zinc/35/69/62/569356962.db2.gz IISPXDFUXPNRHL-QFIPXVFZSA-N 1 0 440.515 4.145 50 30 IIEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020229685 569356990 /nfs/dbraw/zinc/35/69/90/569356990.db2.gz JWMRQMJWTJHGIB-OAQYLSRUSA-N 1 0 442.943 4.269 50 30 IIEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000020265456 569358634 /nfs/dbraw/zinc/35/86/34/569358634.db2.gz GARGHYXYNIRVBG-JOCHJYFZSA-N 1 0 440.540 4.379 50 30 IIEARO Cc1noc(C)c1C[N@H+](C)CCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000095456834 569368910 /nfs/dbraw/zinc/36/89/10/569368910.db2.gz RUJZHYZNBHEVCL-UHFFFAOYSA-N 1 0 434.515 4.353 50 30 IIEARO CC(C)[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2c(c1)OCCCO2 ZINC000057323232 569431133 /nfs/dbraw/zinc/43/11/33/569431133.db2.gz YHNFVBCMBNDARA-JOCHJYFZSA-N 1 0 425.554 4.195 50 30 IIEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCc5cc(OC)c(OC)cc5C4)[C@H]3C[C@H]12 ZINC000004088964 569458812 /nfs/dbraw/zinc/45/88/12/569458812.db2.gz WTPYXBISXXLCCB-QCWXEWEASA-N 1 0 425.569 4.376 50 30 biogenic IIEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000008817285 569476832 /nfs/dbraw/zinc/47/68/32/569476832.db2.gz LJAJTLHQQMKVTD-SBXHHDGASA-N 1 0 448.563 4.323 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1F ZINC000008837390 569478268 /nfs/dbraw/zinc/47/82/68/569478268.db2.gz GEPGCKRCCFCSEY-HOGKFDNTSA-N 1 0 436.483 4.335 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000008903880 569484491 /nfs/dbraw/zinc/48/44/91/569484491.db2.gz NQWIOVHJKHTROI-MRJHHRETSA-N 1 0 442.581 4.299 50 30 IIEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000009042575 569497785 /nfs/dbraw/zinc/49/77/85/569497785.db2.gz ZOPBQEZOIMOZRW-HXUWFJFHSA-N 1 0 441.597 4.413 50 30 IIEARO O=C(C[n+]1nc(CNc2ccc(Br)cc2)n2c1CCCCC2)c1ccccc1 ZINC000009404790 569529718 /nfs/dbraw/zinc/52/97/18/569529718.db2.gz XMLFEVPQOXTJNK-UHFFFAOYSA-N 1 0 440.365 4.155 50 30 IIEARO C#CCOC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036308563 518309044 /nfs/dbraw/zinc/30/90/44/518309044.db2.gz QOOYBFCTUGUQJT-HSZRJFAPSA-N 1 0 433.552 4.196 50 30 IIEARO C#CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C ZINC000036306417 518310240 /nfs/dbraw/zinc/31/02/40/518310240.db2.gz ARBISEOUAOBCSQ-HSZRJFAPSA-N 1 0 447.579 4.409 50 30 IIEARO C#CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036301592 518311000 /nfs/dbraw/zinc/31/10/00/518311000.db2.gz GOAQSCKSTUZBQG-JOCHJYFZSA-N 1 0 433.552 4.101 50 30 IIEARO C=C(C)COc1ccc2c(C)c(CC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)oc2c1 ZINC000009183683 518615370 /nfs/dbraw/zinc/61/53/70/518615370.db2.gz XAEGGCXKLHIGIX-UHFFFAOYSA-N 1 0 426.557 4.024 50 30 IIEARO C=CCOc1c(Br)cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1OC ZINC000019922671 519001372 /nfs/dbraw/zinc/00/13/72/519001372.db2.gz TXLLGPIDCGPZTK-UHFFFAOYSA-N 1 0 436.346 4.372 50 30 IIEARO C=CCn1c(SC[C@@H]2C[NH2+][C@H](c3ccc(N(C)C)cc3)O2)nnc1C1CCCCC1 ZINC000057647596 519235760 /nfs/dbraw/zinc/23/57/60/519235760.db2.gz LIENJNVDJPQXPW-UNMCSNQZSA-N 1 0 427.618 4.357 50 30 IIEARO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccc(-c4ccc(C#N)cc4)o2)CC3)CC1 ZINC000020889523 521045578 /nfs/dbraw/zinc/04/55/78/521045578.db2.gz CTAJXHAYSQEIFW-UHFFFAOYSA-N 1 0 429.524 4.108 50 30 IIEARO COc1c2c(cc3c1[C@@H](C(=O)Nc1ccccc1)[N@@+](C)(Cc1ccccc1)CC3)OCO2 ZINC000248022161 521885526 /nfs/dbraw/zinc/88/55/26/521885526.db2.gz JOXWNWICYQEYLB-NEKDWFFYSA-O 1 0 431.512 4.307 50 30 biogenic IIEARO COC(=O)[C@H](C#N)c1nc2ccccc2nc1NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000013000668 523847031 /nfs/dbraw/zinc/84/70/31/523847031.db2.gz TUPYTLNFCXRNFP-YLJYHZDGSA-N 1 0 449.580 4.357 50 30 IIEARO O=C(C=CC1=[NH+][C@@H]2C=CC=C[C@@H]2N1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000012562422 527593753 /nfs/dbraw/zinc/59/37/53/527593753.db2.gz ZPUVJZNDCUXXBJ-VOJLHISBSA-N 1 0 427.891 4.452 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000008919806 556233030 /nfs/dbraw/zinc/23/30/30/556233030.db2.gz MDEKALWZJDTHQG-NRFANRHFSA-N 1 0 442.943 4.187 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)cc1 ZINC000009236893 556264502 /nfs/dbraw/zinc/26/45/02/556264502.db2.gz JCRCZJIWSDBAAP-FQEVSTJZSA-N 1 0 428.554 4.067 50 30 IIEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000013800107 556310160 /nfs/dbraw/zinc/31/01/60/556310160.db2.gz SXUHZWQXTNXLGU-LJQANCHMSA-N 1 0 433.335 4.442 50 30 IIEARO C/C(=N\OCc1nc2c3c4c(sc3ncn2n1)C(C)(C)[NH2+]C(C)(C)C4)c1ccccc1 ZINC000013633691 556540179 /nfs/dbraw/zinc/54/01/79/556540179.db2.gz KAXVCWXZVMSPGB-MZJWZYIUSA-N 1 0 434.569 4.439 50 30 IIEARO N#Cc1ccc(CCC(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC000072304630 556548780 /nfs/dbraw/zinc/54/87/80/556548780.db2.gz GJRRHFWMLUNFRL-JOCHJYFZSA-N 1 0 429.486 4.404 50 30 IIEARO C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@@H]3C[C@@H]12 ZINC000409414632 556640123 /nfs/dbraw/zinc/64/01/23/556640123.db2.gz YYNSVIHMXBJYSY-GPUWNAPISA-N 1 0 439.556 4.031 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000019928644 556946300 /nfs/dbraw/zinc/94/63/00/556946300.db2.gz ILQXXRFTOSBFBY-HSZRJFAPSA-N 1 0 436.552 4.232 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000020230294 557001788 /nfs/dbraw/zinc/00/17/88/557001788.db2.gz XKSGIQXTUFNZBO-IBGZPJMESA-N 1 0 449.334 4.142 50 30 IIEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Cl)c2)cc1 ZINC000020281831 557005310 /nfs/dbraw/zinc/00/53/10/557005310.db2.gz UOEJXPRSGMYBJL-NRFANRHFSA-N 1 0 442.943 4.267 50 30 IIEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000102861651 557402085 /nfs/dbraw/zinc/40/20/85/557402085.db2.gz VFHCYRUDRAKNLY-ZHHPLPSFSA-N 1 0 436.552 4.239 50 30 IIEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000104195313 557452763 /nfs/dbraw/zinc/45/27/63/557452763.db2.gz RDALEWICZBYWRB-LFVOPCPISA-N 1 0 433.335 4.285 50 30 IIEARO C=CCC[C@@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000105003057 557470121 /nfs/dbraw/zinc/47/01/21/557470121.db2.gz AXOYKXGUTXAZAK-NFBKMPQASA-N 1 0 442.625 4.292 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000019939339 568613162 /nfs/dbraw/zinc/61/31/62/568613162.db2.gz PHOAYKUXPTWHLT-JOCHJYFZSA-N 1 0 436.552 4.133 50 30 IIEARO C=CCOC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984893 568623423 /nfs/dbraw/zinc/62/34/23/568623423.db2.gz KTMSJFQUEBKWQO-VQTJNVASSA-N 1 0 432.923 4.038 50 30 IIEARO C=CCOc1cccc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccccc4F)CC3)O2)c1 ZINC000011966329 568821025 /nfs/dbraw/zinc/82/10/25/568821025.db2.gz IAVOOKATAWQTPO-QHCPKHFHSA-N 1 0 438.543 4.334 50 30 IIEARO N#Cc1c(SC[C@@H](O)C[NH+]2CCSCC2)nc(-c2cccs2)cc1C(F)(F)F ZINC000016276255 568875058 /nfs/dbraw/zinc/87/50/58/568875058.db2.gz NAQXSOZREVBEGG-LBPRGKRZSA-N 1 0 445.557 4.202 50 30 IIEARO COc1cc(C=NN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)ccc1OC(C)=O ZINC000245253649 568913406 /nfs/dbraw/zinc/91/34/06/568913406.db2.gz KFXHIJXMFRDODQ-UHFFFAOYSA-N 1 0 441.531 4.342 50 30 IIEARO CC1(C)Cc2c(C#N)c(NC(=O)CO/N=C/c3ccccc3Cl)sc2C(C)(C)[NH2+]1 ZINC000008952568 569174636 /nfs/dbraw/zinc/17/46/36/569174636.db2.gz DDJFNBLGKODENL-BHGWPJFGSA-N 1 0 430.961 4.422 50 30 IIEARO CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020219456 569356775 /nfs/dbraw/zinc/35/67/75/569356775.db2.gz JUWASCMQUVHRSZ-JOCHJYFZSA-N 1 0 440.515 4.143 50 30 IIEARO CCOc1ccc(CC(=O)N2CCC3(CC2)Nc2cccnc2[NH+]=C3NC2CCCC2)cc1 ZINC000096309726 569392287 /nfs/dbraw/zinc/39/22/87/569392287.db2.gz JXLLDRQHMZVLFI-UHFFFAOYSA-N 1 0 447.583 4.263 50 30 biogenic IIEARO COc1cccc(CNC(=O)N2CCC[C@@]3(C2)Nc2cccnc2[NH+]=C3NC2CCCC2)c1 ZINC000096309836 569392394 /nfs/dbraw/zinc/39/23/94/569392394.db2.gz BUOGROCBUDLAPK-VWLOTQADSA-N 1 0 448.571 4.013 50 30 biogenic IIEARO O=C(c1cc(F)ccc1F)N1CC[C@@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000096309968 569392501 /nfs/dbraw/zinc/39/25/01/569392501.db2.gz VCQPUJVDYWRKMO-DEOSSOPVSA-N 1 0 433.462 4.081 50 30 biogenic IIEARO COc1ccc(C(=O)N2CCC[C@]3(C2)Nc2cccnc2[NH+]=C3NC2CCCC2)cc1F ZINC000096309779 569392524 /nfs/dbraw/zinc/39/25/24/569392524.db2.gz YCEHYFNLLAOJPB-XMMPIXPASA-N 1 0 437.519 4.083 50 30 biogenic IIEARO Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000008914245 569485448 /nfs/dbraw/zinc/48/54/48/569485448.db2.gz GFGNKVTVKLEWMA-ZHHPLPSFSA-N 1 0 436.552 4.156 50 30 IIEARO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000040114443 569489109 /nfs/dbraw/zinc/48/91/09/569489109.db2.gz LMPKHXROCRYWRG-UHFFFAOYSA-N 1 0 438.984 4.468 50 30 IIEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009009085 569496316 /nfs/dbraw/zinc/49/63/16/569496316.db2.gz ZHNUPOQXQZZYCB-NRFANRHFSA-N 1 0 442.943 4.267 50 30 IIEARO C=CCC[C@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000245325571 569503593 /nfs/dbraw/zinc/50/35/93/569503593.db2.gz AXOYKXGUTXAZAK-NZQKXSOJSA-N 1 0 442.625 4.292 50 30 IIEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000009176534 569509691 /nfs/dbraw/zinc/50/96/91/569509691.db2.gz AFLFPIGDTFTYJF-LJQANCHMSA-N 1 0 441.597 4.197 50 30 IIEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000009270449 569517668 /nfs/dbraw/zinc/51/76/68/569517668.db2.gz PYSXFYUQJFHTBS-AYWGPLOBSA-N 1 0 436.552 4.157 50 30 IIEARO Cc1ccc(C)n1CC[NH+]1CCN(c2c3c(c(C#N)c4nc5ccccc5n42)CCC3)CC1 ZINC000000638298 132228126 /nfs/dbraw/zinc/22/81/26/132228126.db2.gz SKZMYSWWWMSFBR-UHFFFAOYSA-N 1 0 438.579 4.088 50 30 IIEARO C#CCOC[C@@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000036306497 518297576 /nfs/dbraw/zinc/29/75/76/518297576.db2.gz CVJWYTGLKWDKDA-QHCPKHFHSA-N 1 0 447.579 4.411 50 30 IIEARO C#CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C ZINC000036306414 518300180 /nfs/dbraw/zinc/30/01/80/518300180.db2.gz ARBISEOUAOBCSQ-QHCPKHFHSA-N 1 0 447.579 4.409 50 30 IIEARO C#CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 ZINC000036308685 518303616 /nfs/dbraw/zinc/30/36/16/518303616.db2.gz AEJQSBSUTVAOMQ-DEOSSOPVSA-N 1 0 445.563 4.196 50 30 IIEARO C#CCOC[C@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000036306499 518307435 /nfs/dbraw/zinc/30/74/35/518307435.db2.gz CVJWYTGLKWDKDA-HSZRJFAPSA-N 1 0 447.579 4.411 50 30 IIEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@H]12 ZINC000059410284 518660964 /nfs/dbraw/zinc/66/09/64/518660964.db2.gz YYNSVIHMXBJYSY-FYEJASGKSA-N 1 0 439.556 4.031 50 30 biogenic IIEARO CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CC[NH+](Cc3ccccc3C)CC2)C1=O ZINC000012166495 519340142 /nfs/dbraw/zinc/34/01/42/519340142.db2.gz HRMABPVRKJAAQL-NDEPHWFRSA-N 1 0 443.591 4.154 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccco1 ZINC000020232556 520602702 /nfs/dbraw/zinc/60/27/02/520602702.db2.gz JNALMXXADPLPTM-HXUWFJFHSA-N 1 0 446.931 4.252 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccs1 ZINC000020219205 520604549 /nfs/dbraw/zinc/60/45/49/520604549.db2.gz RJELLZZJFYKLHS-KRWDZBQOSA-N 1 0 433.599 4.132 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000008903502 520875155 /nfs/dbraw/zinc/87/51/55/520875155.db2.gz HRZUULKUYCEQSD-HXUWFJFHSA-N 1 0 446.906 4.018 50 30 IIEARO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)cc(I)c1OCC#N ZINC000002885169 555857763 /nfs/dbraw/zinc/85/77/63/555857763.db2.gz OXZHOBVDFXWJRT-CQSZACIVSA-N 1 0 436.293 4.443 50 30 IIEARO C=CCNC(=O)[C@H]1C[C@@H](c2ccc(F)c(C)c2)C[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000034716840 555866431 /nfs/dbraw/zinc/86/64/31/555866431.db2.gz KGIYXPNGFMGHNB-RTWAWAEBSA-N 1 0 426.532 4.059 50 30 IIEARO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)C2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000072305182 556550191 /nfs/dbraw/zinc/55/01/91/556550191.db2.gz HCVJWVHWXSTPRR-UHFFFAOYSA-N 1 0 438.547 4.072 50 30 IIEARO COc1cc(C=NNC(N)=[NH2+])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000033362268 556562879 /nfs/dbraw/zinc/56/28/79/556562879.db2.gz YXMHDUYHUFIEDS-QPJQQBGISA-N 1 0 446.132 4.160 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1OC ZINC000019787936 556914188 /nfs/dbraw/zinc/91/41/88/556914188.db2.gz BWCDRVOYFHGZEM-RFAWQRTRSA-N 1 0 434.536 4.015 50 30 IIEARO CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000019929345 556947697 /nfs/dbraw/zinc/94/76/97/556947697.db2.gz LEMFMPLQECVLNV-HSZRJFAPSA-N 1 0 436.552 4.096 50 30 IIEARO CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000019938521 556952554 /nfs/dbraw/zinc/95/25/54/556952554.db2.gz HKOMCGDBEYSPIZ-FQEVSTJZSA-N 1 0 428.554 4.067 50 30 IIEARO O=C1C[C@@H](c2c(F)cccc2Cl)[C@H](n2cncn2)C(=O)C1[C@@H]1[NH2+]CCc2ccccc21 ZINC000020405837 557013809 /nfs/dbraw/zinc/01/38/09/557013809.db2.gz ADLQZXHMGGBTEF-ARBPTSGCSA-N 1 0 438.890 4.067 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000024080994 557135503 /nfs/dbraw/zinc/13/55/03/557135503.db2.gz RLOQUAQNFXQCHG-NRFANRHFSA-N 1 0 442.943 4.187 50 30 IIEARO N#Cc1cccc(S(=O)(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000024453018 557327168 /nfs/dbraw/zinc/32/71/68/557327168.db2.gz WTDDCWUTZKQQKG-UHFFFAOYSA-N 1 0 431.561 4.300 50 30 IIEARO C=CCOC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984676 568623635 /nfs/dbraw/zinc/62/36/35/568623635.db2.gz DDYDPIWQLVBIQF-FCHUYYIVSA-N 1 0 432.923 4.038 50 30 IIEARO CC(C)(O)C#Cc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)Cc4cccc(F)c4)CC[C@@H]32)cc1 ZINC000014988989 568827797 /nfs/dbraw/zinc/82/77/97/568827797.db2.gz YQXRNTHPKVNHSN-RSXGOPAZSA-N 1 0 448.582 4.004 50 30 IIEARO COc1cc(OC)c(C=NN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c(OC)c1 ZINC000245312325 568914699 /nfs/dbraw/zinc/91/46/99/568914699.db2.gz UGJGOBPMAKVXOI-UHFFFAOYSA-N 1 0 443.547 4.434 50 30 IIEARO C=CCOC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000169680040 568990588 /nfs/dbraw/zinc/99/05/88/568990588.db2.gz JMINTAAOYOSRBR-PKTZIBPZSA-N 1 0 428.960 4.207 50 30 IIEARO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1C ZINC000328592557 569317153 /nfs/dbraw/zinc/31/71/53/569317153.db2.gz AOPIMJKZABISRV-MRXNPFEDSA-N 1 0 440.598 4.295 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccncc1 ZINC000020133490 569335541 /nfs/dbraw/zinc/33/55/41/569335541.db2.gz FKOMXNHPUBNAHI-QFIPXVFZSA-N 1 0 433.508 4.138 50 30 IIEARO CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020133703 569335554 /nfs/dbraw/zinc/33/55/54/569335554.db2.gz CWAYJLSAQWPHIG-QHCPKHFHSA-N 1 0 448.519 4.362 50 30 IIEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000020229898 569356931 /nfs/dbraw/zinc/35/69/31/569356931.db2.gz XLBMAYIYNSFAOX-JOCHJYFZSA-N 1 0 436.552 4.133 50 30 IIEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000020230724 569357017 /nfs/dbraw/zinc/35/70/17/569357017.db2.gz WSKAHVNYVUUKOZ-HSZRJFAPSA-N 1 0 434.536 4.172 50 30 IIEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020232247 569357127 /nfs/dbraw/zinc/35/71/27/569357127.db2.gz ZVPKMGFSDUGYKE-QFIPXVFZSA-N 1 0 438.524 4.073 50 30 IIEARO Cc1cc(O)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000020310076 569360106 /nfs/dbraw/zinc/36/01/06/569360106.db2.gz BDDQQLJMUSFKIZ-NRFANRHFSA-N 1 0 442.943 4.192 50 30 IIEARO COc1ccc(NC(=O)N2CC[C@]3(C2)Nc2cccnc2[NH+]=C3NCc2ccccc2)cc1 ZINC000096309981 569392489 /nfs/dbraw/zinc/39/24/89/569392489.db2.gz MYRIEQNYPLNNBB-RUZDIDTESA-N 1 0 442.523 4.203 50 30 biogenic IIEARO CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000008919518 569486415 /nfs/dbraw/zinc/48/64/15/569486415.db2.gz ZOAZIZHWTARVIM-MRJHHRETSA-N 1 0 442.581 4.300 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(F)c1 ZINC000008921423 569486824 /nfs/dbraw/zinc/48/68/24/569486824.db2.gz UNSQFHVWGPILAB-MOBKVPTQSA-N 1 0 436.483 4.335 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000009012363 569496584 /nfs/dbraw/zinc/49/65/84/569496584.db2.gz SAFXJVRDUVHVCK-YDJIHCHBSA-N 1 0 430.907 4.243 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1 ZINC000009186478 569510215 /nfs/dbraw/zinc/51/02/15/569510215.db2.gz OTHPRVGTQFYIBQ-QFIPXVFZSA-N 1 0 440.515 4.145 50 30 IIEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009186619 569510276 /nfs/dbraw/zinc/51/02/76/569510276.db2.gz DTAJRBTWTHEOAA-JBCNATCCSA-N 1 0 442.943 4.112 50 30 IIEARO CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009412663 569531627 /nfs/dbraw/zinc/53/16/27/569531627.db2.gz HLUNKLHGKLCBHN-BXKMTCNYSA-N 1 0 448.563 4.273 50 30 IIEARO N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000010334060 569581079 /nfs/dbraw/zinc/58/10/79/569581079.db2.gz GQLASQYGNBPFRV-HSZRJFAPSA-N 1 0 446.938 4.257 50 30 IIEARO C#CCOC[C@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036308283 518307705 /nfs/dbraw/zinc/30/77/05/518307705.db2.gz FKEGEUDTRAAMTO-JOCHJYFZSA-N 1 0 433.552 4.102 50 30 IIEARO C=CCOC[C@@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)noc1N1CCC(C)CC1 ZINC000036249884 518982661 /nfs/dbraw/zinc/98/26/61/518982661.db2.gz XKQQXOXSAUTKSQ-QFIPXVFZSA-N 1 0 427.589 4.353 50 30 IIEARO C=CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146698 518993542 /nfs/dbraw/zinc/99/35/42/518993542.db2.gz ZBDMGJOULGVIKU-YADHBBJMSA-N 1 0 432.923 4.038 50 30 IIEARO C=CCOc1ccccc1C[NH+]1CCC(n2nccc2NC(=O)Cc2ccccc2)CC1 ZINC000012744128 519069091 /nfs/dbraw/zinc/06/90/91/519069091.db2.gz APFGPVQDIDUJJN-UHFFFAOYSA-N 1 0 430.552 4.466 50 30 IIEARO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2ccc(C#CCCO)cc2)CC1 ZINC000012298116 520465692 /nfs/dbraw/zinc/46/56/92/520465692.db2.gz KMIHLVPELWNMSX-UHFFFAOYSA-N 1 0 439.983 4.462 50 30 IIEARO CCOc1ccc(C[NH+]2CCN(c3cc(C)c(C#N)c4nc5ccccc5n43)CC2)cc1 ZINC000021539908 520975943 /nfs/dbraw/zinc/97/59/43/520975943.db2.gz DIAHFOLURJDFRM-UHFFFAOYSA-N 1 0 425.536 4.389 50 30 IIEARO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000012938190 523478835 /nfs/dbraw/zinc/47/88/35/523478835.db2.gz AXOSHUVQKKEYJS-NRFANRHFSA-N 1 0 443.551 4.254 50 30 IIEARO Cc1cc2c(c3c1C(=O)/C(=C\c1cccnc1)O3)CN(C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)CO2 ZINC000020761495 525589063 /nfs/dbraw/zinc/58/90/63/525589063.db2.gz DSLAGUKRSMICTB-ROZQTZPBSA-N 1 0 445.563 4.423 50 30 biogenic IIEARO N#Cc1cc[n+](CC(=O)c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000043191304 526581154 /nfs/dbraw/zinc/58/11/54/526581154.db2.gz SGQYWMXSBCRHRC-UHFFFAOYSA-O 1 0 425.390 4.391 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000008903497 556231371 /nfs/dbraw/zinc/23/13/71/556231371.db2.gz HRZUULKUYCEQSD-FQEVSTJZSA-N 1 0 446.906 4.018 50 30 IIEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)ccc1OCC(C)C ZINC000009046442 556242878 /nfs/dbraw/zinc/24/28/78/556242878.db2.gz CPCFBYHIHBCTLN-QHCPKHFHSA-N 1 0 436.552 4.170 50 30 IIEARO CC1(C)CC(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)CC(C)(C)[NH2+]1 ZINC000009531060 556297384 /nfs/dbraw/zinc/29/73/84/556297384.db2.gz HTYWBXZHLIEDMY-UHFFFAOYSA-N 1 0 431.005 4.285 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(OC)c1 ZINC000020149923 556990863 /nfs/dbraw/zinc/99/08/63/556990863.db2.gz PLNXAQHTQUBAQP-QHCPKHFHSA-N 1 0 448.519 4.362 50 30 IIEARO Cn1c(-c2ccccc2Cl)nn(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1=S ZINC000048364253 557074630 /nfs/dbraw/zinc/07/46/30/557074630.db2.gz VYTNFVYXXPFZMQ-UHFFFAOYSA-N 1 0 441.004 4.164 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1C ZINC000024080650 557135487 /nfs/dbraw/zinc/13/54/87/557135487.db2.gz ADHCSPCOERLYDU-QHCPKHFHSA-N 1 0 436.552 4.232 50 30 IIEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)ccc1OCC(C)C ZINC000102175608 557314248 /nfs/dbraw/zinc/31/42/48/557314248.db2.gz COPGVQXULAJAAS-JBCNATCCSA-N 1 0 442.581 4.075 50 30 IIEARO CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000102489279 557331880 /nfs/dbraw/zinc/33/18/80/557331880.db2.gz PDCROGCURBDSNZ-AYWGPLOBSA-N 1 0 436.552 4.239 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(Cl)cc1 ZINC000102494171 557335564 /nfs/dbraw/zinc/33/55/64/557335564.db2.gz VVTZMJGKARHEDU-GHNGSUTGSA-N 1 0 447.988 4.177 50 30 IIEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000102858197 557399146 /nfs/dbraw/zinc/39/91/46/557399146.db2.gz LSTIYOXTSWLBEL-JBCNATCCSA-N 1 0 442.943 4.112 50 30 IIEARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000089361347 568921202 /nfs/dbraw/zinc/92/12/02/568921202.db2.gz VHTDGRUUGOPEOJ-HXUWFJFHSA-N 1 0 436.625 4.424 50 30 IIEARO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1C ZINC000328592556 569317229 /nfs/dbraw/zinc/31/72/29/569317229.db2.gz AOPIMJKZABISRV-INIZCTEOSA-N 1 0 440.598 4.295 50 30 IIEARO COc1cccc(C(=O)N2CCC[C@@]3(C2)Nc2cccnc2[NH+]=C3NCc2ccccc2)c1 ZINC000096309762 569392454 /nfs/dbraw/zinc/39/24/54/569392454.db2.gz VORJDTNGWAVCBQ-SANMLTNESA-N 1 0 441.535 4.201 50 30 biogenic IIEARO C=C[C@](C)(O)C[N@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1 ZINC000230112162 569438292 /nfs/dbraw/zinc/43/82/92/569438292.db2.gz LCJOIPIYGOLCGS-RDGATRHJSA-N 1 0 442.625 4.210 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000009046357 569498323 /nfs/dbraw/zinc/49/83/23/569498323.db2.gz ZQJSMDCPIDLYJG-OAQYLSRUSA-N 1 0 442.943 4.187 50 30 IIEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009357003 569525501 /nfs/dbraw/zinc/52/55/01/569525501.db2.gz OKRLEJBKTYBITO-JOCHJYFZSA-N 1 0 440.515 4.000 50 30 IIEARO C#CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C ZINC000036308084 518300672 /nfs/dbraw/zinc/30/06/72/518300672.db2.gz LJSDHBJJOBZTBO-QHCPKHFHSA-N 1 0 447.579 4.348 50 30 IIEARO C=C(C)C[N@@H+](CC)Cc1cc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1OC ZINC000045796247 518599467 /nfs/dbraw/zinc/59/94/67/518599467.db2.gz IFHQLPZFIALOEH-VWNXMTODSA-N 1 0 433.552 4.263 50 30 IIEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@@H]12 ZINC000059410282 518661651 /nfs/dbraw/zinc/66/16/51/518661651.db2.gz YYNSVIHMXBJYSY-LEKAPFLCSA-N 1 0 439.556 4.031 50 30 biogenic IIEARO C=CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC(C)C ZINC000036151098 518985922 /nfs/dbraw/zinc/98/59/22/518985922.db2.gz BJVSQLFLFQEZCV-QFIPXVFZSA-N 1 0 427.589 4.353 50 30 IIEARO C=C[C@@](C)(O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2)CC1 ZINC000036316572 519297839 /nfs/dbraw/zinc/29/78/39/519297839.db2.gz CZJDESNEMNCRSM-HHHXNRCGSA-N 1 0 428.580 4.102 50 30 IIEARO Cc1ccc(C[NH+]2CCC(CN3CC(=O)C(c4nc5ccccc5s4)=C3N)CC2)cc1 ZINC000064838156 524436727 /nfs/dbraw/zinc/43/67/27/524436727.db2.gz IBIOQRHORJXCQJ-UHFFFAOYSA-N 1 0 432.593 4.029 50 30 IIEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1 ZINC000009009056 556240522 /nfs/dbraw/zinc/24/05/22/556240522.db2.gz MEEFBHGVWFJINP-QFIPXVFZSA-N 1 0 440.515 4.143 50 30 IIEARO COc1ccc(NC(=O)C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)c(OC)c1 ZINC000013770413 556304892 /nfs/dbraw/zinc/30/48/92/556304892.db2.gz QDTIPBSEWJWZNA-UHFFFAOYSA-O 1 0 447.342 4.352 50 30 IIEARO COc1c2c(cc3c1[C@H](C(=O)Nc1ccccc1)[N@@+](C)(Cc1ccccc1)CC3)OCO2 ZINC000248022164 556656611 /nfs/dbraw/zinc/65/66/11/556656611.db2.gz JOXWNWICYQEYLB-QDPGVEIFSA-O 1 0 431.512 4.307 50 30 biogenic IIEARO COc1c2c(cc3c1[C@@H](C/C(Cc1ccc(OC(C)C)cc1)=N/O)[N@H+](C)CC3)OCO2 ZINC000033933797 556742797 /nfs/dbraw/zinc/74/27/97/556742797.db2.gz GDGOCISBYQZCJR-VXCWRXKNSA-N 1 0 426.513 4.203 50 30 biogenic IIEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)ccc1OC(C)C ZINC000019938370 556952265 /nfs/dbraw/zinc/95/22/65/556952265.db2.gz FXIYUMSXCHYRKS-NRFANRHFSA-N 1 0 442.581 4.374 50 30 IIEARO Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccccc1 ZINC000020193004 556996690 /nfs/dbraw/zinc/99/66/90/556996690.db2.gz ZSIRVZCTJKWAMV-FQEVSTJZSA-N 1 0 447.560 4.258 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(Cl)cc1 ZINC000102494157 557335537 /nfs/dbraw/zinc/33/55/37/557335537.db2.gz VVTZMJGKARHEDU-SELCWUDQSA-N 1 0 447.988 4.177 50 30 IIEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000102875897 557397099 /nfs/dbraw/zinc/39/70/99/557397099.db2.gz MXYMBQFQUWEDDM-MOBKVPTQSA-N 1 0 440.540 4.140 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000102864845 557404041 /nfs/dbraw/zinc/40/40/41/557404041.db2.gz UKWIMKZBLSSSEI-JBCNATCCSA-N 1 0 442.943 4.030 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccco1 ZINC000102877028 557406706 /nfs/dbraw/zinc/40/67/06/557406706.db2.gz WNPFGNKIVXHWKD-YDJIHCHBSA-N 1 0 446.931 4.095 50 30 IIEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000102930232 557413986 /nfs/dbraw/zinc/41/39/86/557413986.db2.gz PUQNLMLZTOVREG-LFVOPCPISA-N 1 0 441.597 4.041 50 30 IIEARO N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC[N@@H+](CCc1ccccc1)C2 ZINC000019907676 563023223 /nfs/dbraw/zinc/02/32/23/563023223.db2.gz GJGIORQFSOWFRW-UHFFFAOYSA-N 1 0 446.601 4.347 50 30 IIEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000020263898 563024219 /nfs/dbraw/zinc/02/42/19/563024219.db2.gz PAYLZSPKYZBHQL-QFIPXVFZSA-N 1 0 438.524 4.155 50 30 IIEARO C=CCOC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984887 568623614 /nfs/dbraw/zinc/62/36/14/568623614.db2.gz KTMSJFQUEBKWQO-WOJBJXKFSA-N 1 0 432.923 4.038 50 30 IIEARO C=CCOc1ccccc1C[NH+]1CCC(O)(Cc2cc(-c3cccc(OC)c3)no2)CC1 ZINC000011843409 568820790 /nfs/dbraw/zinc/82/07/90/568820790.db2.gz YJGQPSIXTHYZBX-UHFFFAOYSA-N 1 0 434.536 4.485 50 30 IIEARO C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000016750733 568830140 /nfs/dbraw/zinc/83/01/40/568830140.db2.gz OBVBFYISFICSMS-QHCPKHFHSA-N 1 0 432.520 4.163 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccc1F ZINC000020133196 568884137 /nfs/dbraw/zinc/88/41/37/568884137.db2.gz FBZFKDOKMFYROZ-QFIPXVFZSA-N 1 0 440.515 4.145 50 30 IIEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000104188574 568900878 /nfs/dbraw/zinc/90/08/78/568900878.db2.gz OINWPRYESLWMMS-LFVOPCPISA-N 1 0 433.335 4.367 50 30 IIEARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000089361351 568921176 /nfs/dbraw/zinc/92/11/76/568921176.db2.gz VHTDGRUUGOPEOJ-FQEVSTJZSA-N 1 0 436.625 4.424 50 30 IIEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000017161272 569175187 /nfs/dbraw/zinc/17/51/87/569175187.db2.gz JBDLBXQDNHNLDM-IBGZPJMESA-N 1 0 427.570 4.023 50 30 IIEARO N#Cc1ccc(CN2CCC([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)s1 ZINC000252485026 569186579 /nfs/dbraw/zinc/18/65/79/569186579.db2.gz GMQBFXOYZGXLMR-UHFFFAOYSA-N 1 0 434.531 4.425 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OC)cc1 ZINC000020149659 569336372 /nfs/dbraw/zinc/33/63/72/569336372.db2.gz KATCRBBPQUSWKR-HSZRJFAPSA-N 1 0 448.519 4.362 50 30 IIEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020232379 569357140 /nfs/dbraw/zinc/35/71/40/569357140.db2.gz YMAIXPKUOCHOPA-NRFANRHFSA-N 1 0 442.943 4.269 50 30 IIEARO O=C(c1cc(F)ccc1F)N1CC[C@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000096309967 569392406 /nfs/dbraw/zinc/39/24/06/569392406.db2.gz VCQPUJVDYWRKMO-XMMPIXPASA-N 1 0 433.462 4.081 50 30 biogenic IIEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCc5cc(OC)c(OC)cc5C4)[C@H]3C[C@@H]12 ZINC000004088963 569458778 /nfs/dbraw/zinc/45/87/78/569458778.db2.gz WTPYXBISXXLCCB-WGFBCYIXSA-N 1 0 425.569 4.376 50 30 biogenic IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)cc1Cl ZINC000009008609 569496401 /nfs/dbraw/zinc/49/64/01/569496401.db2.gz QSLBUMWOVYXUSH-NRFANRHFSA-N 1 0 442.943 4.269 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000009339548 569523801 /nfs/dbraw/zinc/52/38/01/569523801.db2.gz GNALZYXEYCQISC-JBCNATCCSA-N 1 0 442.943 4.112 50 30 IIEARO C#CCOC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036308560 518298296 /nfs/dbraw/zinc/29/82/96/518298296.db2.gz QOOYBFCTUGUQJT-QHCPKHFHSA-N 1 0 433.552 4.196 50 30 IIEARO C#CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C(C)C ZINC000036316033 518311041 /nfs/dbraw/zinc/31/10/41/518311041.db2.gz VPQMLOQTIWYRIS-HSZRJFAPSA-N 1 0 447.579 4.409 50 30 IIEARO C=C[C@@](C)(O)C[N@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1 ZINC000036310245 519298248 /nfs/dbraw/zinc/29/82/48/519298248.db2.gz LCJOIPIYGOLCGS-RCZVLFRGSA-N 1 0 442.625 4.210 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccs1 ZINC000102710996 520651944 /nfs/dbraw/zinc/65/19/44/520651944.db2.gz PRJOGRUXQYEVNQ-JBCNATCCSA-N 1 0 442.581 4.299 50 30 IIEARO Cc1cccc(C)c1NC(=O)[C@H]1c2cccc[n+]2CC(=O)N1c1cccc(C(F)(F)F)c1 ZINC000013367021 524297842 /nfs/dbraw/zinc/29/78/42/524297842.db2.gz DBHUNXYXQGLIKF-JOCHJYFZSA-O 1 0 440.445 4.336 50 30 IIEARO CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C ZINC000004098876 555962237 /nfs/dbraw/zinc/96/22/37/555962237.db2.gz CLEXYFLHGFJONT-DNMILWOZSA-N 1 0 425.613 4.181 50 30 biogenic,in-vitro IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(F)cc2)cc1 ZINC000019938541 556952615 /nfs/dbraw/zinc/95/26/15/556952615.db2.gz MWWVTWLNVUXNID-JOCHJYFZSA-N 1 0 440.515 4.145 50 30 IIEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020233503 557002016 /nfs/dbraw/zinc/00/20/16/557002016.db2.gz AGQFLYNNDHTZPT-OAQYLSRUSA-N 1 0 440.927 4.045 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000024080991 557135585 /nfs/dbraw/zinc/13/55/85/557135585.db2.gz RLOQUAQNFXQCHG-OAQYLSRUSA-N 1 0 442.943 4.187 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)o2)cc1Cl ZINC000102523122 557352968 /nfs/dbraw/zinc/35/29/68/557352968.db2.gz GHAUOJSZMQXZSX-YDJIHCHBSA-N 1 0 446.931 4.014 50 30 IIEARO CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000102861653 557402160 /nfs/dbraw/zinc/40/21/60/557402160.db2.gz VFHCYRUDRAKNLY-AYWGPLOBSA-N 1 0 436.552 4.239 50 30 IIEARO O=C(NCc1cccc(F)c1)N1CCC2(CC1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000096309738 557776442 /nfs/dbraw/zinc/77/64/42/557776442.db2.gz VVSKZHKQDXSGSK-UHFFFAOYSA-N 1 0 436.535 4.144 50 30 IIEARO CC(C)(C)NC1=[NH+]c2ncccc2N[C@@]12CCCN(C(=O)c1cc(-c3cccs3)n[nH]1)C2 ZINC000096309861 557776860 /nfs/dbraw/zinc/77/68/60/557776860.db2.gz UKDZUEVVBSXRFJ-HSZRJFAPSA-N 1 0 449.584 4.243 50 30 biogenic IIEARO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1cccc(Cl)c1)C2 ZINC000014538309 568826324 /nfs/dbraw/zinc/82/63/24/568826324.db2.gz DFQYBRWSBXLYSH-FQEVSTJZSA-N 1 0 426.992 4.386 50 30 IIEARO C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000002428040 569302774 /nfs/dbraw/zinc/30/27/74/569302774.db2.gz BKJGKMLAQQAZCV-HSZRJFAPSA-N 1 0 432.520 4.245 50 30 IIEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020188766 569355623 /nfs/dbraw/zinc/35/56/23/569355623.db2.gz ZSYVOCODEIHCDC-DEOSSOPVSA-N 1 0 448.563 4.480 50 30 IIEARO CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020219455 569356822 /nfs/dbraw/zinc/35/68/22/569356822.db2.gz JUWASCMQUVHRSZ-QFIPXVFZSA-N 1 0 440.515 4.143 50 30 IIEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000020229900 569356941 /nfs/dbraw/zinc/35/69/41/569356941.db2.gz XLBMAYIYNSFAOX-QFIPXVFZSA-N 1 0 436.552 4.133 50 30 IIEARO C=CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000020234331 569357254 /nfs/dbraw/zinc/35/72/54/569357254.db2.gz JKRTYXNFWQIRMP-OAQYLSRUSA-N 1 0 440.565 4.233 50 30 IIEARO CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020234132 569357257 /nfs/dbraw/zinc/35/72/57/569357257.db2.gz NMSAUDBJUNOWKF-HXUWFJFHSA-N 1 0 428.554 4.067 50 30 IIEARO Cc1cc(O)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000020310080 569359985 /nfs/dbraw/zinc/35/99/85/569359985.db2.gz BDDQQLJMUSFKIZ-OAQYLSRUSA-N 1 0 442.943 4.192 50 30 IIEARO C[C@@]1(C(=O)Nc2ccc(Cl)cc2)c2cccc[n+]2CC(=O)N1c1ccc(Cl)cc1 ZINC000020322505 569360375 /nfs/dbraw/zinc/36/03/75/569360375.db2.gz NSYOVNAKMCFLBC-QFIPXVFZSA-O 1 0 427.311 4.182 50 30 IIEARO COc1ccc(C)cc1NC(=O)N1CC[C@@]2(C1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000096310032 569392661 /nfs/dbraw/zinc/39/26/61/569392661.db2.gz ZMSNXQPMJHDMGV-DEOSSOPVSA-N 1 0 434.544 4.254 50 30 biogenic IIEARO CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000008919514 569486406 /nfs/dbraw/zinc/48/64/06/569486406.db2.gz ZOAZIZHWTARVIM-JBCNATCCSA-N 1 0 442.581 4.300 50 30 IIEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000009071804 569500146 /nfs/dbraw/zinc/50/01/46/569500146.db2.gz IZYSHERZLXXOCM-ZHHPLPSFSA-N 1 0 436.552 4.239 50 30 IIEARO Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009360399 569525748 /nfs/dbraw/zinc/52/57/48/569525748.db2.gz ODKLYCFVXOLMCH-AYWGPLOBSA-N 1 0 436.552 4.013 50 30 IIEARO C=CCOc1ccc(/C=C/C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1OC ZINC000040162126 519012897 /nfs/dbraw/zinc/01/28/97/519012897.db2.gz JQQGOELVSCMCNN-YUAYGMJFSA-N 1 0 448.563 4.378 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccccc1 ZINC000020150059 520602440 /nfs/dbraw/zinc/60/24/40/520602440.db2.gz FIQWSNLXYDPBNO-IBGZPJMESA-N 1 0 427.570 4.070 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2cccs2)cc1 ZINC000013635789 520876349 /nfs/dbraw/zinc/87/63/49/520876349.db2.gz ALKZDGMBTVLUJE-FQEVSTJZSA-N 1 0 428.554 4.067 50 30 IIEARO COc1cc(/C=N/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000013595631 521986345 /nfs/dbraw/zinc/98/63/45/521986345.db2.gz OLLQWJFPNWKQIT-VFCFBJKWSA-N 1 0 445.563 4.454 50 30 IIEARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1ccc(C#CC(C)(C)O)o1 ZINC000012373334 522658575 /nfs/dbraw/zinc/65/85/75/522658575.db2.gz ICLVZGOOZZVLDS-UHFFFAOYSA-N 1 0 442.987 4.082 50 30 IIEARO N#Cc1ccsc1NC(=O)CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022025353 526768926 /nfs/dbraw/zinc/76/89/26/526768926.db2.gz UQIQXKGNCZZHHC-UHFFFAOYSA-N 1 0 430.577 4.356 50 30 IIEARO O=C(C#Cc1ccccc1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012835897 527663138 /nfs/dbraw/zinc/66/31/38/527663138.db2.gz BLIXUSAYRZJJAD-VWLOTQADSA-N 1 0 434.555 4.097 50 30 IIEARO C=CCNC(=O)[C@H]1C[C@H](c2ccc(F)c(C)c2)C[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000034716841 555866388 /nfs/dbraw/zinc/86/63/88/555866388.db2.gz KGIYXPNGFMGHNB-SFTDATJTSA-N 1 0 426.532 4.059 50 30 IIEARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000008432776 556172166 /nfs/dbraw/zinc/17/21/66/556172166.db2.gz UIFKMBVZGGXPLK-UHFFFAOYSA-N 1 0 438.597 4.202 50 30 IIEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000008838011 556226474 /nfs/dbraw/zinc/22/64/74/556226474.db2.gz SFCQQDTZBGGEQP-QHCPKHFHSA-N 1 0 436.552 4.312 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(F)c2)cc1Cl ZINC000016733194 556632187 /nfs/dbraw/zinc/63/21/87/556632187.db2.gz BHNQTNACKWDNCD-HXUWFJFHSA-N 1 0 446.906 4.018 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(OC)c1 ZINC000020188484 556995943 /nfs/dbraw/zinc/99/59/43/556995943.db2.gz ZJNAPALOBYUUGJ-OAQYLSRUSA-N 1 0 442.943 4.269 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(F)c2)cc1Cl ZINC000020265449 557004286 /nfs/dbraw/zinc/00/42/86/557004286.db2.gz LOEHMIQANHBYJP-FQEVSTJZSA-N 1 0 446.906 4.018 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000024080548 557135390 /nfs/dbraw/zinc/13/53/90/557135390.db2.gz JHMGWDFHFCGNCH-QHCPKHFHSA-N 1 0 436.552 4.232 50 30 IIEARO C=C(C)Cn1nc(C)c(CCC(=O)N(CCCOC)C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1C ZINC000583647625 557241197 /nfs/dbraw/zinc/24/11/97/557241197.db2.gz VTCKMNNPRGWZOQ-NOZRDPDXSA-N 1 0 444.664 4.138 50 30 biogenic IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(Cl)cc1 ZINC000102931792 557412948 /nfs/dbraw/zinc/41/29/48/557412948.db2.gz UAMPWXRYDGAZKX-YDJIHCHBSA-N 1 0 430.932 4.395 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccccc2F)cc1 ZINC000020193440 569355897 /nfs/dbraw/zinc/35/58/97/569355897.db2.gz IKYVWUOYBWWPDQ-JOCHJYFZSA-N 1 0 440.515 4.145 50 30 IIEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020230212 569356999 /nfs/dbraw/zinc/35/69/99/569356999.db2.gz CJBWBRZCNCLRRP-HSZRJFAPSA-N 1 0 434.536 4.172 50 30 IIEARO COc1ccccc1NC(=O)N1CC[C@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000096309983 569392479 /nfs/dbraw/zinc/39/24/79/569392479.db2.gz HFIZLHDJVUGLTC-RUZDIDTESA-N 1 0 442.523 4.203 50 30 biogenic IIEARO Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000008914246 569485428 /nfs/dbraw/zinc/48/54/28/569485428.db2.gz GFGNKVTVKLEWMA-AYWGPLOBSA-N 1 0 436.552 4.156 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccc(Cl)c1 ZINC000009007492 569496149 /nfs/dbraw/zinc/49/61/49/569496149.db2.gz ZHMDVMUDDKDODH-GHNGSUTGSA-N 1 0 447.988 4.177 50 30 IIEARO CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009233605 569513857 /nfs/dbraw/zinc/51/38/57/569513857.db2.gz SHMLVLSZOLXHDI-JBCNATCCSA-N 1 0 426.944 4.447 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(F)cc1 ZINC000009270812 569517654 /nfs/dbraw/zinc/51/76/54/569517654.db2.gz VUBVYMIXDCTQCN-WOOAAIBNSA-N 1 0 445.560 4.053 50 30 IIEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000009270447 569517689 /nfs/dbraw/zinc/51/76/89/569517689.db2.gz PYSXFYUQJFHTBS-ZHHPLPSFSA-N 1 0 436.552 4.157 50 30 IIEARO C#CCOC[C@H](O)C[N@@H+](CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036316311 518307445 /nfs/dbraw/zinc/30/74/45/518307445.db2.gz HOQPHPVGIVURPH-HSZRJFAPSA-N 1 0 447.579 4.450 50 30 IIEARO C#CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1 ZINC000036306464 518309903 /nfs/dbraw/zinc/30/99/03/518309903.db2.gz IXBIJXRQRXIAQS-HSZRJFAPSA-N 1 0 445.563 4.163 50 30 IIEARO C=CCCC(=O)NCCCOc1cccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)c1 ZINC000055168638 518694111 /nfs/dbraw/zinc/69/41/11/518694111.db2.gz CYECBNWQFCLDTH-UHFFFAOYSA-N 1 0 435.612 4.477 50 30 IIEARO C=CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC(C)C ZINC000036151102 518993513 /nfs/dbraw/zinc/99/35/13/518993513.db2.gz BJVSQLFLFQEZCV-JOCHJYFZSA-N 1 0 427.589 4.353 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102536555 520318047 /nfs/dbraw/zinc/31/80/47/520318047.db2.gz YICCKLGKGKFXAU-MRJHHRETSA-N 1 0 442.943 4.112 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)cc1C ZINC000013427140 520324519 /nfs/dbraw/zinc/32/45/19/520324519.db2.gz AGJDTYFKOHFYES-HSZRJFAPSA-N 1 0 436.552 4.314 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(Cl)cc1 ZINC000102931793 520597879 /nfs/dbraw/zinc/59/78/79/520597879.db2.gz UAMPWXRYDGAZKX-NHFXJNLRSA-N 1 0 430.932 4.395 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccc1F ZINC000020133201 520602715 /nfs/dbraw/zinc/60/27/15/520602715.db2.gz FBZFKDOKMFYROZ-JOCHJYFZSA-N 1 0 440.515 4.145 50 30 IIEARO COc1cccc(C(=O)N2CCC[C@]3(C2)Nc2cccnc2[NH+]=C3NCc2ccccc2)c1 ZINC000096309761 525800935 /nfs/dbraw/zinc/80/09/35/525800935.db2.gz VORJDTNGWAVCBQ-AREMUKBSSA-N 1 0 441.535 4.201 50 30 biogenic IIEARO COc1ccc(-c2oc(/N=C/N3CC[NH+](C)CC3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000001178820 555670851 /nfs/dbraw/zinc/67/08/51/555670851.db2.gz ASGWNDMWNHNAKA-WPWMEQJKSA-N 1 0 430.508 4.410 50 30 IIEARO C=CCn1c(SCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nnc1C1CCCCC1 ZINC000032910818 556581683 /nfs/dbraw/zinc/58/16/83/556581683.db2.gz GZKSQUWEUKIVKJ-FQEVSTJZSA-N 1 0 427.618 4.023 50 30 IIEARO COc1ccc(/C=N/N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c(OC)c1OC ZINC000019808911 556918668 /nfs/dbraw/zinc/91/86/68/556918668.db2.gz GAUJCOLPOQBZTH-MTDXEUNCSA-N 1 0 443.547 4.434 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2F)cc1C ZINC000019928656 556946318 /nfs/dbraw/zinc/94/63/18/556946318.db2.gz LGKBLXYLMQMFNO-QFIPXVFZSA-N 1 0 440.515 4.063 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(F)cc1 ZINC000019956364 556954967 /nfs/dbraw/zinc/95/49/67/556954967.db2.gz WPJDCYQPHJWULN-QFIPXVFZSA-N 1 0 440.515 4.063 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1OC ZINC000020150057 556991219 /nfs/dbraw/zinc/99/12/19/556991219.db2.gz QADUBNRGOUJFOO-HSZRJFAPSA-N 1 0 448.519 4.362 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1OC ZINC000020192150 556996189 /nfs/dbraw/zinc/99/61/89/556996189.db2.gz ITFFSINLGAQSMU-OAQYLSRUSA-N 1 0 442.943 4.269 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000020229712 557001770 /nfs/dbraw/zinc/00/17/70/557001770.db2.gz SSQSAHKYSMNBRT-HSZRJFAPSA-N 1 0 434.536 4.090 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2F)c(C)c1 ZINC000024080939 557135602 /nfs/dbraw/zinc/13/56/02/557135602.db2.gz NRAABGLUURWCSU-JOCHJYFZSA-N 1 0 440.515 4.063 50 30 IIEARO [NH2+]=C(Nc1ccc(Br)cc1)S[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000100047710 557213294 /nfs/dbraw/zinc/21/32/94/557213294.db2.gz KEYVWVUFHCQWCC-CQSZACIVSA-N 1 0 438.734 4.114 50 30 IIEARO CC#CCN(Cc1ccco1)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012304196 562981085 /nfs/dbraw/zinc/98/10/85/562981085.db2.gz IIFADTKBENDQTK-UHFFFAOYSA-N 1 0 443.547 4.384 50 30 IIEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000020263901 563024259 /nfs/dbraw/zinc/02/42/59/563024259.db2.gz PAYLZSPKYZBHQL-JOCHJYFZSA-N 1 0 438.524 4.155 50 30 IIEARO N#Cc1c(SC[C@H](O)C[NH+]2CCSCC2)nc(-c2cccs2)cc1C(F)(F)F ZINC000016276251 568875240 /nfs/dbraw/zinc/87/52/40/568875240.db2.gz NAQXSOZREVBEGG-GFCCVEGCSA-N 1 0 445.557 4.202 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020192517 569355730 /nfs/dbraw/zinc/35/57/30/569355730.db2.gz DLTOHNWBIBEPHX-NRFANRHFSA-N 1 0 442.581 4.455 50 30 IIEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020228429 569356948 /nfs/dbraw/zinc/35/69/48/569356948.db2.gz GDVNWEDDUZDHFQ-HSZRJFAPSA-N 1 0 436.552 4.396 50 30 IIEARO CCOc1ccc(C(=O)N2CCC3(CC2)Nc2cccnc2[NH+]=C3NC2CCCC2)cc1 ZINC000096309713 569392267 /nfs/dbraw/zinc/39/22/67/569392267.db2.gz RMDJUHFIKWFRIX-UHFFFAOYSA-N 1 0 433.556 4.334 50 30 biogenic IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008920224 569486491 /nfs/dbraw/zinc/48/64/91/569486491.db2.gz CJXKPDKXVFPYDA-SBXHHDGASA-N 1 0 448.563 4.358 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000009122744 569504185 /nfs/dbraw/zinc/50/41/85/569504185.db2.gz ZAKPYXVJGXPDBE-AYWGPLOBSA-N 1 0 436.552 4.237 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OC)cc1 ZINC000009232844 569513763 /nfs/dbraw/zinc/51/37/63/569513763.db2.gz XZXBXTYDFQGRHN-AYWGPLOBSA-N 1 0 448.519 4.205 50 30 IIEARO CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009412650 569531585 /nfs/dbraw/zinc/53/15/85/569531585.db2.gz HLUNKLHGKLCBHN-OSPHWJPCSA-N 1 0 448.563 4.273 50 30 IIEARO COc1cccc(N2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c1 ZINC000010036479 569577425 /nfs/dbraw/zinc/57/74/25/569577425.db2.gz WIRGHRGSXYATQV-UHFFFAOYSA-N 1 0 438.597 4.048 50 30 IIEARO N#Cc1ccc2[nH]cc(CCCC[NH+]3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1 ZINC000001542113 132245868 /nfs/dbraw/zinc/24/58/68/132245868.db2.gz SGEGOXDYSFKCPT-UHFFFAOYSA-N 1 0 441.535 4.030 50 30 fda IIEARO C#CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1 ZINC000036306461 518299614 /nfs/dbraw/zinc/29/96/14/518299614.db2.gz IXBIJXRQRXIAQS-QHCPKHFHSA-N 1 0 445.563 4.163 50 30 IIEARO C#Cc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1 ZINC000055244239 518358104 /nfs/dbraw/zinc/35/81/04/518358104.db2.gz SHDWQOUBDMDTDX-HSZRJFAPSA-N 1 0 441.497 4.114 50 30 IIEARO C=CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000036308220 518986974 /nfs/dbraw/zinc/98/69/74/518986974.db2.gz VIWBFXZZAABGEH-QFIPXVFZSA-N 1 0 433.552 4.407 50 30 IIEARO CC(C)C[C@H](C)[NH+]1CCN(C(Nc2ccc(C(=O)[O-])cc2)=[NH+]CCc2ccccc2)CC1 ZINC000021046975 519312233 /nfs/dbraw/zinc/31/22/33/519312233.db2.gz LTJSGCVOSBEOTE-NRFANRHFSA-N 1 0 436.600 4.257 50 30 IIEARO CCOc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000035402916 521233981 /nfs/dbraw/zinc/23/39/81/521233981.db2.gz OZECRDNYZCGXRH-NSXGMPHASA-N 1 0 434.536 4.015 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000008922005 556233764 /nfs/dbraw/zinc/23/37/64/556233764.db2.gz UFYMFGYIEHAMKK-HSZRJFAPSA-N 1 0 436.552 4.314 50 30 IIEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1ccccc1C(C)C ZINC000032777007 556327254 /nfs/dbraw/zinc/32/72/54/556327254.db2.gz OLNIYUQOAKOKSA-UHFFFAOYSA-N 1 0 427.618 4.347 50 30 IIEARO CC1=C2C(=O)C3=C(CC=C4C[C@H](O)CC[C@@]34C)[C@H]2CCC1[C@H](C)[C@@H]1[NH2+]C[C@H](C)C[C@@H]1O ZINC000253484711 556583804 /nfs/dbraw/zinc/58/38/04/556583804.db2.gz JEOLXONPOHXANX-ILXISDQESA-N 1 0 425.613 4.085 50 30 IIEARO CC1=C2C(=O)C3=C(CC=C4C[C@@H](O)CC[C@@]34C)[C@H]2CCC1[C@H](C)[C@@H]1[NH2+]C[C@H](C)C[C@@H]1O ZINC000253484710 556583866 /nfs/dbraw/zinc/58/38/66/556583866.db2.gz JEOLXONPOHXANX-CXDPHCLNSA-N 1 0 425.613 4.085 50 30 IIEARO O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)Nc1ccc2c(c1)OCO2 ZINC000016956878 556650594 /nfs/dbraw/zinc/65/05/94/556650594.db2.gz AASLOBBEEJXKKY-UHFFFAOYSA-O 1 0 431.299 4.063 50 30 IIEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000019884168 556937843 /nfs/dbraw/zinc/93/78/43/556937843.db2.gz CFRFEQZUOXZHKJ-SFHVURJKSA-N 1 0 437.298 4.272 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(F)cc1 ZINC000020150087 556991127 /nfs/dbraw/zinc/99/11/27/556991127.db2.gz BMVNEHPDWBKZEX-QFIPXVFZSA-N 1 0 440.515 4.145 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccc1 ZINC000020436794 557016622 /nfs/dbraw/zinc/01/66/22/557016622.db2.gz BRJCEJFIBFNOHP-HSZRJFAPSA-N 1 0 436.552 4.394 50 30 IIEARO C=C(C)Cn1nc(C)c(CCC(=O)N(CCCOC)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1C ZINC000409415160 557110335 /nfs/dbraw/zinc/11/03/35/557110335.db2.gz VTCKMNNPRGWZOQ-UKILVPOCSA-N 1 0 444.664 4.138 50 30 biogenic IIEARO CCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000024192954 557140083 /nfs/dbraw/zinc/14/00/83/557140083.db2.gz JOZHGKFMJGNWSE-HSZRJFAPSA-N 1 0 448.519 4.362 50 30 IIEARO CN(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000024193018 557140375 /nfs/dbraw/zinc/14/03/75/557140375.db2.gz UTTZTCFQKUMNNF-QHCPKHFHSA-N 1 0 447.535 4.029 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000102513550 557350376 /nfs/dbraw/zinc/35/03/76/557350376.db2.gz BAUMEUWZZHOAEJ-MRJHHRETSA-N 1 0 442.943 4.030 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102720354 557368789 /nfs/dbraw/zinc/36/87/89/557368789.db2.gz MTFZUYYNIDYFMU-AYWGPLOBSA-N 1 0 436.552 4.192 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccccc1 ZINC000102861436 557402127 /nfs/dbraw/zinc/40/21/27/557402127.db2.gz XBEKZEYAKXPQJK-QHGVZKGJSA-N 1 0 448.563 4.164 50 30 IIEARO COc1ccc(C(=O)/C=C\c2cn(C[C@H](O)C[NH+]3CCCCC3)c3ccccc23)cc1OC ZINC000033532024 557408161 /nfs/dbraw/zinc/40/81/61/557408161.db2.gz RBEYGDNZDJTZAR-MMQQXXMXSA-N 1 0 448.563 4.401 50 30 IIEARO CC1=C2C(=O)[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C ZINC000244564024 560037242 /nfs/dbraw/zinc/03/72/42/560037242.db2.gz CLEXYFLHGFJONT-CRUZRRQKSA-N 1 0 425.613 4.181 50 30 biogenic,in-vitro IIEARO CC1=C2C(=O)[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@@H]2C ZINC000244564026 560037264 /nfs/dbraw/zinc/03/72/64/560037264.db2.gz CLEXYFLHGFJONT-FLQHSZHLSA-N 1 0 425.613 4.181 50 30 biogenic,in-vitro IIEARO CCC[NH+](CCC)CCCNC(=S)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000008691887 562963538 /nfs/dbraw/zinc/96/35/38/562963538.db2.gz RGMLBAQIUSJODV-UHFFFAOYSA-N 1 0 429.634 4.333 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000019939342 568613320 /nfs/dbraw/zinc/61/33/20/568613320.db2.gz PHOAYKUXPTWHLT-QFIPXVFZSA-N 1 0 436.552 4.133 50 30 IIEARO C=CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104985266 568623571 /nfs/dbraw/zinc/62/35/71/568623571.db2.gz ZBDMGJOULGVIKU-FGZHOGPDSA-N 1 0 432.923 4.038 50 30 IIEARO COc1cccc(CCC(=O)N2CCC3(CC2)Nc2cccnc2[NH+]=C3NC(C)(C)C)c1 ZINC000096309753 568940924 /nfs/dbraw/zinc/94/09/24/568940924.db2.gz XKPPMCIBSCZUEM-UHFFFAOYSA-N 1 0 435.572 4.119 50 30 IIEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000020132711 569335400 /nfs/dbraw/zinc/33/54/00/569335400.db2.gz VNCOMFULNAQOGV-QHCPKHFHSA-N 1 0 436.552 4.349 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000020192522 569355745 /nfs/dbraw/zinc/35/57/45/569355745.db2.gz DLTOHNWBIBEPHX-OAQYLSRUSA-N 1 0 442.581 4.455 50 30 IIEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020192827 569355810 /nfs/dbraw/zinc/35/58/10/569355810.db2.gz MVGSLSYIYWCWQZ-NRFANRHFSA-N 1 0 440.927 4.045 50 30 IIEARO C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020231385 569356979 /nfs/dbraw/zinc/35/69/79/569356979.db2.gz RFOKUWWZVYKJAN-NRFANRHFSA-N 1 0 440.565 4.233 50 30 IIEARO CCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020234127 569357221 /nfs/dbraw/zinc/35/72/21/569357221.db2.gz NMSAUDBJUNOWKF-FQEVSTJZSA-N 1 0 428.554 4.067 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000020233799 569357228 /nfs/dbraw/zinc/35/72/28/569357228.db2.gz AXKNQVFKAKIBET-LJQANCHMSA-N 1 0 449.334 4.142 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000020233804 569357279 /nfs/dbraw/zinc/35/72/79/569357279.db2.gz AXKNQVFKAKIBET-IBGZPJMESA-N 1 0 449.334 4.142 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(C)cc2O)[C@@H]1c1ccccc1 ZINC000020309981 569359863 /nfs/dbraw/zinc/35/98/63/569359863.db2.gz ZXJHELPUJLKMRN-QHCPKHFHSA-N 1 0 436.552 4.319 50 30 IIEARO COc1ccc(C)cc1NC(=O)N1CC[C@]2(C1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000096310031 569392557 /nfs/dbraw/zinc/39/25/57/569392557.db2.gz ZMSNXQPMJHDMGV-XMMPIXPASA-N 1 0 434.544 4.254 50 30 biogenic IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(C)cc1 ZINC000008893039 569483602 /nfs/dbraw/zinc/48/36/02/569483602.db2.gz VMHJPLYATCPREN-ZHHPLPSFSA-N 1 0 436.552 4.157 50 30 IIEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000009042572 569497739 /nfs/dbraw/zinc/49/77/39/569497739.db2.gz ZOPBQEZOIMOZRW-FQEVSTJZSA-N 1 0 441.597 4.413 50 30 IIEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)cc1 ZINC000009329382 569522898 /nfs/dbraw/zinc/52/28/98/569522898.db2.gz SQHDAULKXDCHPU-HSZRJFAPSA-N 1 0 436.552 4.251 50 30 IIEARO CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009350114 569524790 /nfs/dbraw/zinc/52/47/90/569524790.db2.gz HLUNKLHGKLCBHN-XDHUDOTRSA-N 1 0 448.563 4.273 50 30 IIEARO C#CCOC[C@@H](O)C[N@@H+](CCC(C)C)Cc1c(-c2ccc(F)cc2)noc1N(CC)CC ZINC000036249758 518296284 /nfs/dbraw/zinc/29/62/84/518296284.db2.gz QDKRBDZKKHYXGN-QFIPXVFZSA-N 1 0 445.579 4.186 50 30 IIEARO C#CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@@H](C)CC ZINC000036316225 518301287 /nfs/dbraw/zinc/30/12/87/518301287.db2.gz XKQMEADLIKYDSS-GMAHTHKFSA-N 1 0 447.579 4.491 50 30 IIEARO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)CC1 ZINC000014746413 518642897 /nfs/dbraw/zinc/64/28/97/518642897.db2.gz RAZMJRNIKYRFAX-HSZRJFAPSA-N 1 0 436.600 4.045 50 30 IIEARO C=CCOC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146658 518994039 /nfs/dbraw/zinc/99/40/39/518994039.db2.gz IJKRKHYEFVUPIY-UXHICEINSA-N 1 0 432.923 4.038 50 30 IIEARO C=CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000020234327 519063086 /nfs/dbraw/zinc/06/30/86/519063086.db2.gz JKRTYXNFWQIRMP-NRFANRHFSA-N 1 0 440.565 4.233 50 30 IIEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)cc1 ZINC000009360360 519778542 /nfs/dbraw/zinc/77/85/42/519778542.db2.gz JGOOYDOMPYBCSU-HXUWFJFHSA-N 1 0 428.554 4.065 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009007801 520328584 /nfs/dbraw/zinc/32/85/84/520328584.db2.gz SIPFLOFQLOVFNV-NRFANRHFSA-N 1 0 442.943 4.269 50 30 IIEARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccc(C#CCCO)cc2)CC1 ZINC000012507445 520457035 /nfs/dbraw/zinc/45/70/35/520457035.db2.gz KNPBVSCUYHRRJL-UHFFFAOYSA-N 1 0 435.564 4.035 50 30 IIEARO CCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000009008571 520469093 /nfs/dbraw/zinc/46/90/93/520469093.db2.gz MXGDXOTZSGQYAL-MOBKVPTQSA-N 1 0 440.540 4.222 50 30 IIEARO CCOc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000035402918 521265565 /nfs/dbraw/zinc/26/55/65/521265565.db2.gz OZECRDNYZCGXRH-RBNQUJQMSA-N 1 0 434.536 4.015 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1 ZINC000008922000 556233420 /nfs/dbraw/zinc/23/34/20/556233420.db2.gz UFYMFGYIEHAMKK-QHCPKHFHSA-N 1 0 436.552 4.314 50 30 IIEARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)C2=CC(=O)CC(C)(C)O2)CC1 ZINC000011842327 556365802 /nfs/dbraw/zinc/36/58/02/556365802.db2.gz VWVKFMXJJPHLDE-UHFFFAOYSA-N 1 0 442.600 4.044 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000017123751 556668674 /nfs/dbraw/zinc/66/86/74/556668674.db2.gz FKUFAUKJOSGBND-NRFANRHFSA-N 1 0 442.943 4.187 50 30 IIEARO COc1c2c(cc3c1[C@H](C/C(Cc1ccc(OC(C)C)cc1)=N/O)[N@H+](C)CC3)OCO2 ZINC000033933798 556743140 /nfs/dbraw/zinc/74/31/40/556743140.db2.gz GDGOCISBYQZCJR-HBTCSRNFSA-N 1 0 426.513 4.203 50 30 biogenic IIEARO CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000019938381 556952141 /nfs/dbraw/zinc/95/21/41/556952141.db2.gz RWRGLDIBMLRUBC-OAQYLSRUSA-N 1 0 442.581 4.457 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000019938576 556952604 /nfs/dbraw/zinc/95/26/04/556952604.db2.gz RCZMGCBXARHNGK-FQEVSTJZSA-N 1 0 430.907 4.399 50 30 IIEARO C=CCOc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020193035 556996891 /nfs/dbraw/zinc/99/68/91/556996891.db2.gz HOOXIYLSMVJTOX-HSZRJFAPSA-N 1 0 446.503 4.138 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)cc1Cl ZINC000009008522 557130429 /nfs/dbraw/zinc/13/04/29/557130429.db2.gz TYTQMPTYUIHQAP-LJQANCHMSA-N 1 0 448.972 4.330 50 30 IIEARO CCOC(=O)N1CCC(N(CC[NH+](C)C)C(=S)Nc2cccc(Cl)c2C)CC1 ZINC000008683048 562961843 /nfs/dbraw/zinc/96/18/43/562961843.db2.gz RXKNNYYVHUJWOS-UHFFFAOYSA-N 1 0 427.014 4.050 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000016945468 563021171 /nfs/dbraw/zinc/02/11/71/563021171.db2.gz DWJMEJDOEJKXPN-JOCHJYFZSA-N 1 0 440.540 4.377 50 30 IIEARO C=C(Cl)Cn1c2cc(SC)ccc2cc(C[NH2+]C[C@@H]2COc3ccccc3O2)c1=O ZINC000015003312 568827637 /nfs/dbraw/zinc/82/76/37/568827637.db2.gz WNVKWVWLTPPBBW-GOSISDBHSA-N 1 0 442.968 4.406 50 30 IIEARO C=CCN(CCN(C)/C(C)=[NH+]/c1cc(C)cc(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008873150 569291622 /nfs/dbraw/zinc/29/16/22/569291622.db2.gz FRGZXGIPTISFLY-FCDQGJHFSA-N 1 0 444.557 4.070 50 30 IIEARO N#Cc1c2c(c(N3CC[NH+](CCOc4ccccc4)CC3)n3c4ccccc4nc13)CCC2 ZINC000019808326 569329793 /nfs/dbraw/zinc/32/97/93/569329793.db2.gz NOVLHBNIAUZFTM-UHFFFAOYSA-N 1 0 437.547 4.049 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(Cl)cc1 ZINC000020132593 569335437 /nfs/dbraw/zinc/33/54/37/569335437.db2.gz LNRRUDJNMACMDF-GOSISDBHSA-N 1 0 447.988 4.333 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000020190294 569355656 /nfs/dbraw/zinc/35/56/56/569355656.db2.gz WDLXGGYJSQQKPC-NRFANRHFSA-N 1 0 442.943 4.269 50 30 IIEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccs3)oc21 ZINC000020219418 569356792 /nfs/dbraw/zinc/35/67/92/569356792.db2.gz IRKBCFCPCMYTFP-LJQANCHMSA-N 1 0 440.521 4.033 50 30 IIEARO CCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000020264148 569358465 /nfs/dbraw/zinc/35/84/65/569358465.db2.gz NSAICVADPWTDSA-QFIPXVFZSA-N 1 0 440.540 4.379 50 30 IIEARO Cc1c(CCOC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc[n+]1CC(=O)c1ccccc1 ZINC000003205263 569441654 /nfs/dbraw/zinc/44/16/54/569441654.db2.gz ZRSVGFSXGWPDTA-UHFFFAOYSA-N 1 0 445.904 4.188 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccccc1 ZINC000009275787 569518343 /nfs/dbraw/zinc/51/83/43/569518343.db2.gz BKZXOIHVPIXECV-HOGKFDNTSA-N 1 0 448.519 4.205 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(C)cc2)cc1 ZINC000009302149 569520788 /nfs/dbraw/zinc/52/07/88/569520788.db2.gz NTMSNPBILSTBKN-ZHHPLPSFSA-N 1 0 436.552 4.157 50 30 IIEARO C=CCC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(CC)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340744 518721041 /nfs/dbraw/zinc/72/10/41/518721041.db2.gz WKOULXSYSNQNEL-OAQYLSRUSA-N 1 0 429.008 4.041 50 30 IIEARO C=CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N(CC)CC)CC1CC1 ZINC000036249747 518992031 /nfs/dbraw/zinc/99/20/31/518992031.db2.gz WZGORHHKOYYXGT-OAQYLSRUSA-N 1 0 431.552 4.102 50 30 IIEARO C=CCOc1ccc(/C=C\C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1OC ZINC000097994361 519017266 /nfs/dbraw/zinc/01/72/66/519017266.db2.gz JQQGOELVSCMCNN-HLXJENQHSA-N 1 0 448.563 4.378 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(F)cc1 ZINC000009270810 520600310 /nfs/dbraw/zinc/60/03/10/520600310.db2.gz VUBVYMIXDCTQCN-LFVOPCPISA-N 1 0 445.560 4.053 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2cccs2)cc1 ZINC000013635786 520876153 /nfs/dbraw/zinc/87/61/53/520876153.db2.gz ALKZDGMBTVLUJE-HXUWFJFHSA-N 1 0 428.554 4.067 50 30 IIEARO O[C@@H](C[NH2+]Cc1ccc(Cl)cc1)CO/N=C/C1=C(Cl)c2cc(Cl)ccc2OC1 ZINC000012369012 527652490 /nfs/dbraw/zinc/65/24/90/527652490.db2.gz JHYPUIPZEJEFFE-PIICOGJCSA-N 1 0 441.742 4.489 50 30 IIEARO Cc1c(CCOC(=O)c2ccccc2)sc[n+]1CC(=O)c1ccc(Br)cc1 ZINC000002064317 555733068 /nfs/dbraw/zinc/73/30/68/555733068.db2.gz RYFMZKGLZNJNBB-UHFFFAOYSA-N 1 0 445.358 4.389 50 30 IIEARO C=CCNC(=O)[C@@H]1C[C@H](c2ccc(F)c(C)c2)C[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000034716843 555866457 /nfs/dbraw/zinc/86/64/57/555866457.db2.gz KGIYXPNGFMGHNB-LEWJYISDSA-N 1 0 426.532 4.059 50 30 IIEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008740970 556206611 /nfs/dbraw/zinc/20/66/11/556206611.db2.gz SXUHZWQXTNXLGU-IBGZPJMESA-N 1 0 433.335 4.442 50 30 IIEARO CC1=C2C(=O)C3=C(CC=C4C[C@H](O)CC[C@]34C)[C@H]2CCC1[C@H](C)[C@@H]1[NH2+]C[C@H](C)C[C@@H]1O ZINC000253484712 556583877 /nfs/dbraw/zinc/58/38/77/556583877.db2.gz JEOLXONPOHXANX-JLVYXEDCSA-N 1 0 425.613 4.085 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1OC ZINC000019787934 556914066 /nfs/dbraw/zinc/91/40/66/556914066.db2.gz BWCDRVOYFHGZEM-QDEBQFNMSA-N 1 0 434.536 4.015 50 30 IIEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000019883227 556937545 /nfs/dbraw/zinc/93/75/45/556937545.db2.gz CZZFJKOYTNOHJN-MRXNPFEDSA-N 1 0 425.337 4.195 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000019928860 556946903 /nfs/dbraw/zinc/94/69/03/556946903.db2.gz USGHJFKBPIDFTK-QFIPXVFZSA-N 1 0 440.515 4.063 50 30 IIEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)ccc1OC(C)C ZINC000019938369 556952080 /nfs/dbraw/zinc/95/20/80/556952080.db2.gz FXIYUMSXCHYRKS-OAQYLSRUSA-N 1 0 442.581 4.374 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000019938566 556952594 /nfs/dbraw/zinc/95/25/94/556952594.db2.gz IRENLJCEWLFUEK-FQEVSTJZSA-N 1 0 430.907 4.399 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(OC)c1 ZINC000020149924 556990956 /nfs/dbraw/zinc/99/09/56/556990956.db2.gz PLNXAQHTQUBAQP-HSZRJFAPSA-N 1 0 448.519 4.362 50 30 IIEARO Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020437076 557016895 /nfs/dbraw/zinc/01/68/95/557016895.db2.gz AOEGLPXKSGRLJQ-QHCPKHFHSA-N 1 0 436.552 4.170 50 30 IIEARO O=C([O-])c1cccc(NC(=[NH+]CCc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000046022020 557021567 /nfs/dbraw/zinc/02/15/67/557021567.db2.gz BXUYJIBCJZELOK-UHFFFAOYSA-N 1 0 434.584 4.155 50 30 IIEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)cc1 ZINC000102170199 557313872 /nfs/dbraw/zinc/31/38/72/557313872.db2.gz FQLLOQKPSRXSDI-MRJHHRETSA-N 1 0 442.581 4.156 50 30 IIEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102374116 557321052 /nfs/dbraw/zinc/32/10/52/557321052.db2.gz GEUHCJHJEIPMQY-AYWGPLOBSA-N 1 0 436.552 4.156 50 30 IIEARO COc1ccc(/C=C/C(=O)c2cccs2)cc1C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263586933 568760043 /nfs/dbraw/zinc/76/00/43/568760043.db2.gz ZVFFNNSUFXLUOW-QOEWUMFVSA-N 1 0 446.572 4.434 50 30 biogenic IIEARO C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000016752226 568830156 /nfs/dbraw/zinc/83/01/56/568830156.db2.gz VFQCVQPKEHIYRU-QHCPKHFHSA-N 1 0 432.520 4.163 50 30 IIEARO COc1ccc(/C=N/c2ccc(OC[C@H](O)C[NH+]3[C@H](C)CCC[C@H]3C)cc2)cc1OC ZINC000252203978 569182909 /nfs/dbraw/zinc/18/29/09/569182909.db2.gz USIKSQCKMHPQEF-BNKHMXNJSA-N 1 0 426.557 4.457 50 30 IIEARO COc1ccc(/C=N/n2cnc3c4cc(Cl)ccc4[nH]c3c2=O)cc1C[NH+]1CCCC1 ZINC000002258244 569215400 /nfs/dbraw/zinc/21/54/00/569215400.db2.gz AQJQOCRTCUMSAC-RPPGKUMJSA-N 1 0 435.915 4.018 50 30 IIEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020188769 569355683 /nfs/dbraw/zinc/35/56/83/569355683.db2.gz ZSYVOCODEIHCDC-XMMPIXPASA-N 1 0 448.563 4.480 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000008836387 569478099 /nfs/dbraw/zinc/47/80/99/569478099.db2.gz RKYBGWZPVKEURN-NHFXJNLRSA-N 1 0 430.907 4.243 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1Cl ZINC000009046356 569498380 /nfs/dbraw/zinc/49/83/80/569498380.db2.gz ZQJSMDCPIDLYJG-NRFANRHFSA-N 1 0 442.943 4.187 50 30 IIEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000009271317 569517704 /nfs/dbraw/zinc/51/77/04/569517704.db2.gz RQOUZEHVCIGNJL-ZHHPLPSFSA-N 1 0 436.552 4.192 50 30 IIEARO Cc1ccc(C[NH+]=C(Nc2ccc(C(=O)[O-])cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000021046675 524423915 /nfs/dbraw/zinc/42/39/15/524423915.db2.gz CRGPOCDXVSIJEE-UHFFFAOYSA-N 1 0 434.584 4.421 50 30 IIEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[N@H+]3CC=C(c4ccc(F)cc4)CC3)C(=O)O[C@@H]1C2 ZINC000012863327 525348006 /nfs/dbraw/zinc/34/80/06/525348006.db2.gz MHXARIVPIJEABA-WIAZEZMVSA-N 1 0 425.544 4.442 50 30 biogenic IIEARO O=C1C[C@H](c2c(F)cccc2Cl)[C@@H](n2cncn2)C(=O)C1[C@@H]1[NH2+]CCc2ccccc21 ZINC000013598827 527031904 /nfs/dbraw/zinc/03/19/04/527031904.db2.gz ADLQZXHMGGBTEF-UJUVCNOISA-N 1 0 438.890 4.067 50 30 IIEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000008838012 556226460 /nfs/dbraw/zinc/22/64/60/556226460.db2.gz SFCQQDTZBGGEQP-HSZRJFAPSA-N 1 0 436.552 4.312 50 30 IIEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N[C@H](C)c1ccccc1Cl ZINC000032777100 556327822 /nfs/dbraw/zinc/32/78/22/556327822.db2.gz FQUZVSZUIFMTTE-QGZVFWFLSA-N 1 0 448.036 4.115 50 30 IIEARO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccccc1 ZINC000016713811 556630724 /nfs/dbraw/zinc/63/07/24/556630724.db2.gz YVIYOZBCCMEWIK-QHCPKHFHSA-N 1 0 436.552 4.170 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000019831063 556926472 /nfs/dbraw/zinc/92/64/72/556926472.db2.gz XETXDEDQPRBKSM-HXUWFJFHSA-N 1 0 430.907 4.399 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1C ZINC000019928753 556946669 /nfs/dbraw/zinc/94/66/69/556946669.db2.gz WCMGTXYIZWCDLM-DEOSSOPVSA-N 1 0 448.563 4.398 50 30 IIEARO CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000019972578 556956520 /nfs/dbraw/zinc/95/65/20/556956520.db2.gz NALPXFZDTFMYMC-QHCPKHFHSA-N 1 0 436.552 4.096 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1F ZINC000020135592 556988309 /nfs/dbraw/zinc/98/83/09/556988309.db2.gz WHYAUIKWFJOMIT-FQEVSTJZSA-N 1 0 430.907 4.399 50 30 IIEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020192246 556996565 /nfs/dbraw/zinc/99/65/65/556996565.db2.gz YLDJCYHXKFOFLJ-HSZRJFAPSA-N 1 0 436.552 4.314 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccc1 ZINC000020436789 557016451 /nfs/dbraw/zinc/01/64/51/557016451.db2.gz BRJCEJFIBFNOHP-QHCPKHFHSA-N 1 0 436.552 4.394 50 30 IIEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)cc1 ZINC000102170064 557313983 /nfs/dbraw/zinc/31/39/83/557313983.db2.gz GYFHQHTZZPLBBT-ZHHPLPSFSA-N 1 0 436.552 4.095 50 30 IIEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)ccc1OCC(C)C ZINC000102175521 557314290 /nfs/dbraw/zinc/31/42/90/557314290.db2.gz VZHKCYYMHGZVMQ-AYWGPLOBSA-N 1 0 436.552 4.013 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102720351 557368963 /nfs/dbraw/zinc/36/89/63/557368963.db2.gz MTFZUYYNIDYFMU-ZHHPLPSFSA-N 1 0 436.552 4.192 50 30 IIEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000102875894 557397148 /nfs/dbraw/zinc/39/71/48/557397148.db2.gz MXYMBQFQUWEDDM-HOGKFDNTSA-N 1 0 440.540 4.140 50 30 IIEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)cc1 ZINC000102894724 557406060 /nfs/dbraw/zinc/40/60/60/557406060.db2.gz CDBNLZCWEHOUIS-AYWGPLOBSA-N 1 0 436.552 4.239 50 30 IIEARO C=CCOc1ccccc1C[NH+]1CCC(Oc2cc(C(=O)NC3CC3)ccc2OC)CC1 ZINC000014970458 563016526 /nfs/dbraw/zinc/01/65/26/563016526.db2.gz SGTZZJYJAJWPAQ-UHFFFAOYSA-N 1 0 436.552 4.196 50 30 IIEARO O=C(C[n+]1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(Br)cc1F ZINC000003362829 568747068 /nfs/dbraw/zinc/74/70/68/568747068.db2.gz BNCMSUPOVKOAQX-UHFFFAOYSA-O 1 0 445.268 4.013 50 30 IIEARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)C#Cc2ccccc2)CC1 ZINC000014964539 568827828 /nfs/dbraw/zinc/82/78/28/568827828.db2.gz ZQWVPWPDLAQVFG-HHHXNRCGSA-N 1 0 430.592 4.266 50 30 IIEARO O=C(C[n+]1cc(Br)cc(Br)c1)c1ccc(Br)cc1 ZINC000001595184 568875947 /nfs/dbraw/zinc/87/59/47/568875947.db2.gz TZTMMARQEIVZQJ-UHFFFAOYSA-N 1 0 434.933 4.145 50 30 IIEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000104189865 568900807 /nfs/dbraw/zinc/90/08/07/568900807.db2.gz MXSIQKSHSGFSMP-IBOXJLQUSA-N 1 0 425.337 4.038 50 30 IIEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000104188578 568900813 /nfs/dbraw/zinc/90/08/13/568900813.db2.gz OINWPRYESLWMMS-WOOAAIBNSA-N 1 0 433.335 4.367 50 30 IIEARO Cc1ccc(OCC[NH+]2CCN(c3cc(C)c(C#N)c4nc5ccccc5n43)CC2)cc1 ZINC000053516991 568908550 /nfs/dbraw/zinc/90/85/50/568908550.db2.gz MEUWKPDPWHNWSS-UHFFFAOYSA-N 1 0 425.536 4.177 50 30 IIEARO CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000020191958 569355694 /nfs/dbraw/zinc/35/56/94/569355694.db2.gz SLXLNVAUHLCHDW-QHCPKHFHSA-N 1 0 436.552 4.396 50 30 IIEARO CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020229619 569356970 /nfs/dbraw/zinc/35/69/70/569356970.db2.gz DHAARLKISXOOJR-NRFANRHFSA-N 1 0 442.943 4.267 50 30 IIEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CC=C(c5ccc(F)cc5)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000004073672 569458615 /nfs/dbraw/zinc/45/86/15/569458615.db2.gz WGYIDYTZAFWUIB-OOZCZYHYSA-N 1 0 425.544 4.440 50 30 biogenic IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1OC ZINC000008900967 569484298 /nfs/dbraw/zinc/48/42/98/569484298.db2.gz JWKXRHJPCFRYDT-ZHHPLPSFSA-N 1 0 448.519 4.205 50 30 IIEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000009065561 569499708 /nfs/dbraw/zinc/49/97/08/569499708.db2.gz MDTMHMYSUKGTPE-NXLSWJSLSA-N 1 0 448.563 4.323 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000009178237 569509836 /nfs/dbraw/zinc/50/98/36/569509836.db2.gz BYSABKSGTDAHEV-NHFXJNLRSA-N 1 0 430.907 4.243 50 30 IIEARO CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009233610 569513837 /nfs/dbraw/zinc/51/38/37/569513837.db2.gz SHMLVLSZOLXHDI-MRJHHRETSA-N 1 0 426.944 4.447 50 30 IIEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)cc1 ZINC000009243829 569515002 /nfs/dbraw/zinc/51/50/02/569515002.db2.gz QVQMMMYKJOTNCT-QHCPKHFHSA-N 1 0 436.552 4.396 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(OC)c1 ZINC000009271177 569517713 /nfs/dbraw/zinc/51/77/13/569517713.db2.gz ZJGNBUNTXKDGRF-ZHHPLPSFSA-N 1 0 448.519 4.205 50 30 IIEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000009302118 569520761 /nfs/dbraw/zinc/52/07/61/569520761.db2.gz DNOFLEWNEFCVSN-ZHHPLPSFSA-N 1 0 434.536 4.015 50 30 IIEARO C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000009328255 569522795 /nfs/dbraw/zinc/52/27/95/569522795.db2.gz NIZQTUZJGWZCMX-HSZRJFAPSA-N 1 0 432.520 4.081 50 30 IIEARO C#CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036316274 518302554 /nfs/dbraw/zinc/30/25/54/518302554.db2.gz XCYZUBSNTHBCKS-QHCPKHFHSA-N 1 0 447.579 4.448 50 30 IIEARO C=CCC[C@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036309062 518722685 /nfs/dbraw/zinc/72/26/85/518722685.db2.gz AXOYKXGUTXAZAK-REWPJTCUSA-N 1 0 442.625 4.292 50 30 IIEARO C=CCOC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146659 518988279 /nfs/dbraw/zinc/98/82/79/518988279.db2.gz IJKRKHYEFVUPIY-PMACEKPBSA-N 1 0 432.923 4.038 50 30 IIEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000101314002 519060100 /nfs/dbraw/zinc/06/01/00/519060100.db2.gz OMKHICHFQBDNGF-NXLSWJSLSA-N 1 0 448.563 4.405 50 30 IIEARO C=CCn1c(SC[C@H]2C[NH2+][C@@H](c3ccc(N(C)C)cc3)O2)nnc1C1CCCCC1 ZINC000057647592 519237240 /nfs/dbraw/zinc/23/72/40/519237240.db2.gz LIENJNVDJPQXPW-IFMALSPDSA-N 1 0 427.618 4.357 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000021487010 520327905 /nfs/dbraw/zinc/32/79/05/520327905.db2.gz IKIVEWQKUALVST-QFIPXVFZSA-N 1 0 440.515 4.063 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1F ZINC000008837391 520648525 /nfs/dbraw/zinc/64/85/25/520648525.db2.gz GEPGCKRCCFCSEY-MOBKVPTQSA-N 1 0 436.483 4.335 50 30 IIEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020109462 521235541 /nfs/dbraw/zinc/23/55/41/521235541.db2.gz FYXLBNDNSUIMLA-OAQYLSRUSA-N 1 0 442.943 4.269 50 30 IIEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000013123352 521237238 /nfs/dbraw/zinc/23/72/38/521237238.db2.gz HATRABWBOPCWJU-JOCHJYFZSA-N 1 0 440.515 4.145 50 30 IIEARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000055153123 521356553 /nfs/dbraw/zinc/35/65/53/521356553.db2.gz RHUUTPZJFVIJKQ-VWLOTQADSA-N 1 0 425.594 4.259 50 30 IIEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[NH2+][C@@H]3CCCC[C@@H]3Cc3ccco3)C(=O)O[C@@H]1C2 ZINC000012659947 525347941 /nfs/dbraw/zinc/34/79/41/525347941.db2.gz GXZYBCLGOGIELF-BSEQINKYSA-N 1 0 427.585 4.498 50 30 biogenic IIEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000009271318 525758285 /nfs/dbraw/zinc/75/82/85/525758285.db2.gz RQOUZEHVCIGNJL-AYWGPLOBSA-N 1 0 436.552 4.192 50 30 IIEARO O=C1C[C@@H](c2c(F)cccc2Cl)[C@@H](n2cncn2)C(=O)C1[C@@H]1[NH2+]CCc2ccccc21 ZINC000036383384 527023203 /nfs/dbraw/zinc/02/32/03/527023203.db2.gz ADLQZXHMGGBTEF-ITEAAPOESA-N 1 0 438.890 4.067 50 30 IIEARO C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000034680149 555813382 /nfs/dbraw/zinc/81/33/82/555813382.db2.gz WXHFBOMBAKHWDU-UHFFFAOYSA-N 1 0 448.611 4.042 50 30 IIEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)cc1C ZINC000009008348 556240213 /nfs/dbraw/zinc/24/02/13/556240213.db2.gz ZHVXNNPFOWUZQC-OAQYLSRUSA-N 1 0 442.581 4.375 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1 ZINC000013127629 556476437 /nfs/dbraw/zinc/47/64/37/556476437.db2.gz QLAJVSYJJIHOSR-FQEVSTJZSA-N 1 0 427.932 4.045 50 30 IIEARO C=CCn1c(SCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)nnc1C1CCCCC1 ZINC000032910819 556581618 /nfs/dbraw/zinc/58/16/18/556581618.db2.gz GZKSQUWEUKIVKJ-HXUWFJFHSA-N 1 0 427.618 4.023 50 30 IIEARO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000016713809 556630698 /nfs/dbraw/zinc/63/06/98/556630698.db2.gz YVIYOZBCCMEWIK-HSZRJFAPSA-N 1 0 436.552 4.170 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2cccs2)cc1 ZINC000016734886 556633077 /nfs/dbraw/zinc/63/30/77/556633077.db2.gz LHGWDAAIAKUKCU-OAQYLSRUSA-N 1 0 440.565 4.233 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1C ZINC000019928647 556946350 /nfs/dbraw/zinc/94/63/50/556946350.db2.gz ILQXXRFTOSBFBY-QHCPKHFHSA-N 1 0 436.552 4.232 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000019928935 556946941 /nfs/dbraw/zinc/94/69/41/556946941.db2.gz PABFTQUWSUZUGV-XMMPIXPASA-N 1 0 448.563 4.398 50 30 IIEARO CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000019972579 556956555 /nfs/dbraw/zinc/95/65/55/556956555.db2.gz NALPXFZDTFMYMC-HSZRJFAPSA-N 1 0 436.552 4.096 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccs1 ZINC000020057257 556974998 /nfs/dbraw/zinc/97/49/98/556974998.db2.gz WZWPQWBAUHMPKX-OAQYLSRUSA-N 1 0 442.581 4.455 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000020229222 557001776 /nfs/dbraw/zinc/00/17/76/557001776.db2.gz UMBHDSMLWIKHQP-OAQYLSRUSA-N 1 0 440.927 4.045 50 30 IIEARO O=C([O-])c1cccc(NC(=[NH+]Cc2ccc(F)cc2)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000046022088 557021715 /nfs/dbraw/zinc/02/17/15/557021715.db2.gz FTSHUPRBNSCRHK-UHFFFAOYSA-N 1 0 438.547 4.252 50 30 IIEARO CC(C)[N+](=O)Cc1ccc(O[C@@H](C(=O)c2ccc(Cl)cc2Cl)n2cncn2)cc1 ZINC000111264888 557045051 /nfs/dbraw/zinc/04/50/51/557045051.db2.gz ABNHHYQLOJFMSD-UGIBUQJYSA-N 1 0 433.295 4.383 50 30 IIEARO CN(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000024193019 557140482 /nfs/dbraw/zinc/14/04/82/557140482.db2.gz UTTZTCFQKUMNNF-HSZRJFAPSA-N 1 0 447.535 4.029 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1Cl ZINC000102864843 557403936 /nfs/dbraw/zinc/40/39/36/557403936.db2.gz UKWIMKZBLSSSEI-MRJHHRETSA-N 1 0 442.943 4.030 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccccc1F ZINC000102928356 557410462 /nfs/dbraw/zinc/41/04/62/557410462.db2.gz NYEYQIOCBWSAJB-WOOAAIBNSA-N 1 0 445.560 4.053 50 30 IIEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000104202295 557453071 /nfs/dbraw/zinc/45/30/71/557453071.db2.gz ISQHPCCMMOKMHY-GROYHEBESA-N 1 0 439.364 4.428 50 30 IIEARO C=CCOC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2C)=NO1 ZINC000104984334 568623088 /nfs/dbraw/zinc/62/30/88/568623088.db2.gz HOBNXCNEJOLUSS-FGZHOGPDSA-N 1 0 428.960 4.207 50 30 IIEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000104189867 568900882 /nfs/dbraw/zinc/90/08/82/568900882.db2.gz MXSIQKSHSGFSMP-UYTDBDHRSA-N 1 0 425.337 4.038 50 30 IIEARO COc1cc(C=NN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1O ZINC000239173921 568910744 /nfs/dbraw/zinc/91/07/44/568910744.db2.gz OXPFORPTVXTJSC-UHFFFAOYSA-N 1 0 429.520 4.131 50 30 IIEARO C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000002424503 569302359 /nfs/dbraw/zinc/30/23/59/569302359.db2.gz ZJSLAFNSPDXFAG-HSZRJFAPSA-N 1 0 432.520 4.245 50 30 IIEARO O[C@@H](CON=C1c2ccccc2-c2ccccc21)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000019891786 569331755 /nfs/dbraw/zinc/33/17/55/569331755.db2.gz HRPCDZZGTASGJD-OAQYLSRUSA-N 1 0 447.966 4.273 50 30 IIEARO CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020229683 569356951 /nfs/dbraw/zinc/35/69/51/569356951.db2.gz JWMRQMJWTJHGIB-NRFANRHFSA-N 1 0 442.943 4.269 50 30 IIEARO CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000009008078 569496213 /nfs/dbraw/zinc/49/62/13/569496213.db2.gz INKOBURWKMQFNY-MOBKVPTQSA-N 1 0 440.540 4.222 50 30 IIEARO C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000009043452 569497861 /nfs/dbraw/zinc/49/78/61/569497861.db2.gz YDZKPTJMOGNMAR-JBCNATCCSA-N 1 0 440.565 4.076 50 30 IIEARO Cc1cnn(CC[NH+](CCCOc2ccc(C#N)cc2)CCCOc2ccc(C#N)cc2)c1 ZINC000069979282 569526809 /nfs/dbraw/zinc/52/68/09/569526809.db2.gz GOHMCYXTVYLGBE-UHFFFAOYSA-N 1 0 443.551 4.175 50 30 IIEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@@H]12 ZINC000061996964 518663908 /nfs/dbraw/zinc/66/39/08/518663908.db2.gz YYNSVIHMXBJYSY-MXCHMSEPSA-N 1 0 439.556 4.031 50 30 biogenic IIEARO C=CCC[C@@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036309060 518712004 /nfs/dbraw/zinc/71/20/04/518712004.db2.gz AXOYKXGUTXAZAK-OFNKIYASSA-N 1 0 442.625 4.292 50 30 IIEARO C=CCOC[C@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)noc1N1CCC(C)CC1 ZINC000036249885 518992181 /nfs/dbraw/zinc/99/21/81/518992181.db2.gz XKQQXOXSAUTKSQ-JOCHJYFZSA-N 1 0 427.589 4.353 50 30 IIEARO C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)cc1OC ZINC000012532923 519028084 /nfs/dbraw/zinc/02/80/84/519028084.db2.gz QHJANSKTBJTVFU-UHFFFAOYSA-N 1 0 429.948 4.308 50 30 IIEARO C=C[C@](C)(O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2)CC1 ZINC000036316573 519305356 /nfs/dbraw/zinc/30/53/56/519305356.db2.gz CZJDESNEMNCRSM-MHZLTWQESA-N 1 0 428.580 4.102 50 30 IIEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)cc1 ZINC000102894726 520851855 /nfs/dbraw/zinc/85/18/55/520851855.db2.gz CDBNLZCWEHOUIS-ZHHPLPSFSA-N 1 0 436.552 4.239 50 30 IIEARO COc1ccc(C(=O)N2CCC[C@@]3(C2)Nc2cccnc2[NH+]=C3NC2CCCC2)cc1F ZINC000096309780 523639738 /nfs/dbraw/zinc/63/97/38/523639738.db2.gz YCEHYFNLLAOJPB-DEOSSOPVSA-N 1 0 437.519 4.083 50 30 biogenic IIEARO COC(=O)[C@H](C#N)c1nc2ccccc2nc1NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000012938195 523847064 /nfs/dbraw/zinc/84/70/64/523847064.db2.gz AXOSHUVQKKEYJS-OAQYLSRUSA-N 1 0 443.551 4.254 50 30 IIEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4CC=C(c5ccc(F)cc5)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000012866190 524227630 /nfs/dbraw/zinc/22/76/30/524227630.db2.gz WGYIDYTZAFWUIB-LOQISJBFSA-N 1 0 425.544 4.440 50 30 biogenic IIEARO Cc1ccc(-c2ccc(CCC(=O)NCC[NH+](C)C)n2-c2ccc(CC#N)cc2)c(C)c1 ZINC000023334731 525750616 /nfs/dbraw/zinc/75/06/16/525750616.db2.gz LRKJVKFIELUVMC-UHFFFAOYSA-N 1 0 428.580 4.438 50 30 IIEARO O=C1C[C@@H](c2c(F)cccc2Cl)[C@@H](n2cncn2)C(=O)C1[C@H]1[NH2+]CCc2ccccc21 ZINC000036383383 527022758 /nfs/dbraw/zinc/02/27/58/527022758.db2.gz ADLQZXHMGGBTEF-UZQPLGKSSA-N 1 0 438.890 4.067 50 30 IIEARO CC1(C)Cc2c(C#N)c(SCc3ccccc3Cl)nc(N3CC[NH2+]CC3)c2CO1 ZINC000009047986 534943417 /nfs/dbraw/zinc/94/34/17/534943417.db2.gz YNIVUDLEJFOCPK-UHFFFAOYSA-N 1 0 428.989 4.160 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)cc1 ZINC000009236895 556264440 /nfs/dbraw/zinc/26/44/40/556264440.db2.gz JCRCZJIWSDBAAP-HXUWFJFHSA-N 1 0 428.554 4.067 50 30 IIEARO C[N+](C)(CC(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001761748 556683112 /nfs/dbraw/zinc/68/31/12/556683112.db2.gz YXFFXVOWPKYLNW-UHFFFAOYSA-O 1 0 448.387 4.378 50 30 IIEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020119889 556987525 /nfs/dbraw/zinc/98/75/25/556987525.db2.gz UHXMOESFQBWMPD-QHCPKHFHSA-N 1 0 436.552 4.314 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000020230966 557001746 /nfs/dbraw/zinc/00/17/46/557001746.db2.gz URVCHKDFKXQYDU-HSZRJFAPSA-N 1 0 436.552 4.394 50 30 IIEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)cc1C ZINC000102932409 557412937 /nfs/dbraw/zinc/41/29/37/557412937.db2.gz VROUSIXTFHYMBU-JBCNATCCSA-N 1 0 442.581 4.219 50 30 IIEARO CC1=C2C(=O)[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@@H]1[C@@H]2C ZINC000244564027 560037260 /nfs/dbraw/zinc/03/72/60/560037260.db2.gz CLEXYFLHGFJONT-KHFDYTQWSA-N 1 0 425.613 4.181 50 30 biogenic,in-vitro IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccccc2)cc1 ZINC000016732299 568792790 /nfs/dbraw/zinc/79/27/90/568792790.db2.gz CVQGHAVBTFORBC-QHCPKHFHSA-N 1 0 434.536 4.172 50 30 IIEARO C#Cc1cccc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000011816754 568820871 /nfs/dbraw/zinc/82/08/71/568820871.db2.gz VGWCGAXKAWYUSW-MUUNZHRXSA-N 1 0 442.603 4.169 50 30 IIEARO C=CCOC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2C)=NO1 ZINC000169681918 568992810 /nfs/dbraw/zinc/99/28/10/568992810.db2.gz HOBNXCNEJOLUSS-YADHBBJMSA-N 1 0 428.960 4.207 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(F)cc1 ZINC000020149893 569336349 /nfs/dbraw/zinc/33/63/49/569336349.db2.gz TXHFTYBMHIFEMP-IBGZPJMESA-N 1 0 445.560 4.209 50 30 IIEARO CC(C)Oc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020227765 569357037 /nfs/dbraw/zinc/35/70/37/569357037.db2.gz QPEFHWIJNUWSLE-HXUWFJFHSA-N 1 0 428.554 4.065 50 30 IIEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000020264582 569358526 /nfs/dbraw/zinc/35/85/26/569358526.db2.gz SYSBHGNGLLHBCQ-QFIPXVFZSA-N 1 0 438.524 4.155 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(C)cc2O)[C@H]1c1ccccc1 ZINC000020309984 569359759 /nfs/dbraw/zinc/35/97/59/569359759.db2.gz ZXJHELPUJLKMRN-HSZRJFAPSA-N 1 0 436.552 4.319 50 30 IIEARO COc1cccc(NC(=O)N2CCC[C@]3(C2)Nc2cccnc2[NH+]=C3NC2CCCC2)c1 ZINC000096309827 569392499 /nfs/dbraw/zinc/39/24/99/569392499.db2.gz ZAWDHZKTHOWXRB-XMMPIXPASA-N 1 0 434.544 4.335 50 30 biogenic IIEARO CC(C)[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2c(c1)OCCCO2 ZINC000057323229 569431168 /nfs/dbraw/zinc/43/11/68/569431168.db2.gz YHNFVBCMBNDARA-QFIPXVFZSA-N 1 0 425.554 4.195 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Cl)c1 ZINC000008836386 569478004 /nfs/dbraw/zinc/47/80/04/569478004.db2.gz RKYBGWZPVKEURN-YDJIHCHBSA-N 1 0 430.907 4.243 50 30 IIEARO C#CCOC[C@@H](O)C[N@@H+](CCC(C)C)Cc1c(-c2ccccc2)noc1N(C)C(C)C ZINC000036249909 518298462 /nfs/dbraw/zinc/29/84/62/518298462.db2.gz CXSOETCBOVWZEO-QFIPXVFZSA-N 1 0 427.589 4.045 50 30 IIEARO C=CCOC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146728 518993569 /nfs/dbraw/zinc/99/35/69/518993569.db2.gz KTMSJFQUEBKWQO-UXHICEINSA-N 1 0 432.923 4.038 50 30 IIEARO CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000020229274 521237961 /nfs/dbraw/zinc/23/79/61/521237961.db2.gz SDLIWFMJFDYXBJ-HSZRJFAPSA-N 1 0 436.552 4.396 50 30 IIEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[NH2+][C@H]3CCCC[C@H]3Cc3ccco3)C(=O)O[C@@H]1C2 ZINC000252694002 525347655 /nfs/dbraw/zinc/34/76/55/525347655.db2.gz GXZYBCLGOGIELF-PGRPLILTSA-N 1 0 427.585 4.498 50 30 biogenic IIEARO O[C@H](C[NH2+]Cc1ccc(Cl)cc1)CO/N=C/C1=C(Cl)c2cc(Cl)ccc2OC1 ZINC000012369013 526277352 /nfs/dbraw/zinc/27/73/52/526277352.db2.gz JHYPUIPZEJEFFE-XIDZHNATSA-N 1 0 441.742 4.489 50 30 IIEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000008838045 556226404 /nfs/dbraw/zinc/22/64/04/556226404.db2.gz ZDNCDMXSWMMSRR-QHCPKHFHSA-N 1 0 434.536 4.090 50 30 IIEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)cc1C ZINC000009271689 556270933 /nfs/dbraw/zinc/27/09/33/556270933.db2.gz QXEKIXFADPSQBD-HSZRJFAPSA-N 1 0 436.552 4.314 50 30 IIEARO [NH2+]=C(Cc1ccc(Cl)c(Cl)c1)NOC(=O)c1ccc(I)cc1 ZINC000013880365 556325729 /nfs/dbraw/zinc/32/57/29/556325729.db2.gz UXHPPTZFTJNSLI-UHFFFAOYSA-N 1 0 449.075 4.270 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000015722465 556545232 /nfs/dbraw/zinc/54/52/32/556545232.db2.gz MVKQXALUOUGMNW-JOPVOSQUSA-N 1 0 434.536 4.015 50 30 IIEARO COc1c2c(cc3c1[C@H](C(=O)Nc1ccccc1)[N@+](C)(Cc1ccccc1)CC3)OCO2 ZINC000248022159 556656527 /nfs/dbraw/zinc/65/65/27/556656527.db2.gz JOXWNWICYQEYLB-LXFBAYGMSA-O 1 0 431.512 4.307 50 30 biogenic IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(F)cc1 ZINC000020149941 556990932 /nfs/dbraw/zinc/99/09/32/556990932.db2.gz LDJBPSUYTUBBMS-JOCHJYFZSA-N 1 0 436.483 4.492 50 30 IIEARO CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020192682 556996672 /nfs/dbraw/zinc/99/66/72/556996672.db2.gz JAFZOOLCAWKTAJ-QFIPXVFZSA-N 1 0 440.515 4.145 50 30 IIEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020233499 557001921 /nfs/dbraw/zinc/00/19/21/557001921.db2.gz AGQFLYNNDHTZPT-NRFANRHFSA-N 1 0 440.927 4.045 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccccc1 ZINC000020289245 557005634 /nfs/dbraw/zinc/00/56/34/557005634.db2.gz JQLWNMIZPBYERW-HOYKHHGWSA-N 1 0 448.563 4.320 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(C)cc1 ZINC000102882614 557408441 /nfs/dbraw/zinc/40/84/41/557408441.db2.gz DPXGBPLUVPJBBI-AYWGPLOBSA-N 1 0 436.552 4.076 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccncc1 ZINC000020133493 569335565 /nfs/dbraw/zinc/33/55/65/569335565.db2.gz FKOMXNHPUBNAHI-JOCHJYFZSA-N 1 0 433.508 4.138 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(C)cc2)cc1 ZINC000020190014 569355666 /nfs/dbraw/zinc/35/56/66/569355666.db2.gz PHLVDHWYOLYRBC-QHCPKHFHSA-N 1 0 436.552 4.314 50 30 IIEARO CC(C)Oc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020227762 569357058 /nfs/dbraw/zinc/35/70/58/569357058.db2.gz QPEFHWIJNUWSLE-FQEVSTJZSA-N 1 0 428.554 4.065 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(F)c1 ZINC000008921421 569486831 /nfs/dbraw/zinc/48/68/31/569486831.db2.gz UNSQFHVWGPILAB-HOGKFDNTSA-N 1 0 436.483 4.335 50 30 IIEARO [NH2+]=C(Cc1cccc2ccccc21)NOC(=O)c1ccc(I)cc1 ZINC000009397081 569529275 /nfs/dbraw/zinc/52/92/75/569529275.db2.gz WOUWXOGTAQAIHD-UHFFFAOYSA-N 1 0 430.245 4.116 50 30 IIEARO N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000010334065 569581081 /nfs/dbraw/zinc/58/10/81/569581081.db2.gz GQLASQYGNBPFRV-QHCPKHFHSA-N 1 0 446.938 4.257 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000102513561 523370160 /nfs/dbraw/zinc/37/01/60/523370160.db2.gz BAUMEUWZZHOAEJ-JBCNATCCSA-N 1 0 442.943 4.030 50 30 IIEARO O=C(C[N+]12CCC(CC1)[C@H](OC(=O)c1ccccc1)C2)c1ccc(Br)cc1 ZINC000001799193 527188979 /nfs/dbraw/zinc/18/89/79/527188979.db2.gz WIHBBLOJXUMORN-SSSUMRQXSA-N 1 0 429.334 4.098 50 30 IIEARO COc1ccc(N2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)cc1 ZINC000009873977 536696857 /nfs/dbraw/zinc/69/68/57/536696857.db2.gz ZNYVOVPQMAOHMW-UHFFFAOYSA-N 1 0 438.597 4.048 50 30 IIEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)ccc1OCC(C)C ZINC000009339534 556283219 /nfs/dbraw/zinc/28/32/19/556283219.db2.gz YFAHFVPSTPKBIE-OAQYLSRUSA-N 1 0 442.581 4.231 50 30 IIEARO C=CC[N@@H+](C)Cc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000072281968 556464577 /nfs/dbraw/zinc/46/45/77/556464577.db2.gz WIDNIOHMDJLHHR-UHFFFAOYSA-N 1 0 444.373 4.086 50 30 IIEARO N#Cc1ccc(Oc2cccc(C(=O)NCc3ccccc3C[NH+]3CCC(O)CC3)c2)cc1 ZINC000072306656 556559339 /nfs/dbraw/zinc/55/93/39/556559339.db2.gz GCULPEBLVXMBDZ-UHFFFAOYSA-N 1 0 441.531 4.237 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)cc1C ZINC000016701294 556629846 /nfs/dbraw/zinc/62/98/46/556629846.db2.gz VSFRZZQMSRHLRO-HSZRJFAPSA-N 1 0 434.536 4.090 50 30 IIEARO O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000017206313 556673149 /nfs/dbraw/zinc/67/31/49/556673149.db2.gz SPGLQAIXLCPDNR-UHFFFAOYSA-O 1 0 437.495 4.429 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000019928755 556946553 /nfs/dbraw/zinc/94/65/53/556946553.db2.gz WCMGTXYIZWCDLM-XMMPIXPASA-N 1 0 448.563 4.398 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000019928933 556946952 /nfs/dbraw/zinc/94/69/52/556946952.db2.gz PABFTQUWSUZUGV-DEOSSOPVSA-N 1 0 448.563 4.398 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000019938567 556952693 /nfs/dbraw/zinc/95/26/93/556952693.db2.gz IRENLJCEWLFUEK-HXUWFJFHSA-N 1 0 430.907 4.399 50 30 IIEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102374119 557321138 /nfs/dbraw/zinc/32/11/38/557321138.db2.gz GEUHCJHJEIPMQY-ZHHPLPSFSA-N 1 0 436.552 4.156 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccc1 ZINC000102894531 557405996 /nfs/dbraw/zinc/40/59/96/557405996.db2.gz VPVBTROYTJAODX-ZHHPLPSFSA-N 1 0 436.552 4.237 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(C)cc1 ZINC000102882613 557408321 /nfs/dbraw/zinc/40/83/21/557408321.db2.gz DPXGBPLUVPJBBI-ZHHPLPSFSA-N 1 0 436.552 4.076 50 30 IIEARO C=C(C)C[N@@H+](CC)Cc1cc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1OC ZINC000101250723 568791942 /nfs/dbraw/zinc/79/19/42/568791942.db2.gz IFHQLPZFIALOEH-UPVQGACJSA-N 1 0 433.552 4.263 50 30 IIEARO COc1cccc(C(=O)N=C(Nc2ccc(F)cc2)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000015729018 568813209 /nfs/dbraw/zinc/81/32/09/568813209.db2.gz MXKHYQFFMUFPCV-UHFFFAOYSA-N 1 0 438.547 4.393 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OC)cc1 ZINC000020149658 569336329 /nfs/dbraw/zinc/33/63/29/569336329.db2.gz KATCRBBPQUSWKR-QHCPKHFHSA-N 1 0 448.519 4.362 50 30 IIEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000020191962 569355836 /nfs/dbraw/zinc/35/58/36/569355836.db2.gz SLXLNVAUHLCHDW-HSZRJFAPSA-N 1 0 436.552 4.396 50 30 IIEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020264345 569358461 /nfs/dbraw/zinc/35/84/61/569358461.db2.gz KPSWDZMMSAHJNG-JOCHJYFZSA-N 1 0 440.540 4.297 50 30 IIEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020264342 569358538 /nfs/dbraw/zinc/35/85/38/569358538.db2.gz KPSWDZMMSAHJNG-QFIPXVFZSA-N 1 0 440.540 4.297 50 30 IIEARO CCOc1ccc(C(=O)N2CCC[C@]3(C2)Nc2cccnc2[NH+]=C3NC2CCCC2)cc1 ZINC000096309775 569392400 /nfs/dbraw/zinc/39/24/00/569392400.db2.gz DMWJAOXDZTZXIP-RUZDIDTESA-N 1 0 433.556 4.334 50 30 biogenic IIEARO CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000008984640 569494778 /nfs/dbraw/zinc/49/47/78/569494778.db2.gz NCJFEDFWGLDTQJ-ZHHPLPSFSA-N 1 0 448.519 4.205 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009008763 569496296 /nfs/dbraw/zinc/49/62/96/569496296.db2.gz SIPFLOFQLOVFNV-OAQYLSRUSA-N 1 0 442.943 4.269 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C)cc1 ZINC000009008755 569496314 /nfs/dbraw/zinc/49/63/14/569496314.db2.gz PALSSTOLOHFMDM-ZHHPLPSFSA-N 1 0 436.552 4.157 50 30 IIEARO C#CCOC[C@@H](O)C[N@@H+](CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036316310 518298425 /nfs/dbraw/zinc/29/84/25/518298425.db2.gz HOQPHPVGIVURPH-QHCPKHFHSA-N 1 0 447.579 4.450 50 30 IIEARO C#CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036316275 518309863 /nfs/dbraw/zinc/30/98/63/518309863.db2.gz XCYZUBSNTHBCKS-HSZRJFAPSA-N 1 0 447.579 4.448 50 30 IIEARO C=CCOC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2C)=NO1 ZINC000036145929 518988532 /nfs/dbraw/zinc/98/85/32/518988532.db2.gz HOBNXCNEJOLUSS-FCHUYYIVSA-N 1 0 428.960 4.207 50 30 IIEARO C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000002424502 519062824 /nfs/dbraw/zinc/06/28/24/519062824.db2.gz ZJSLAFNSPDXFAG-QHCPKHFHSA-N 1 0 432.520 4.245 50 30 IIEARO CC(C)C[C@H](C)[NH+]1CCN(C(Nc2cccc(C(=O)[O-])c2)=[NH+]CCc2ccccc2)CC1 ZINC000065308262 519313659 /nfs/dbraw/zinc/31/36/59/519313659.db2.gz VZOQCGSNXHJRSN-NRFANRHFSA-N 1 0 436.600 4.257 50 30 IIEARO CC(C)C[C@@H](C)[NH+]1CCN(C(Nc2cccc(C(=O)[O-])c2)=[NH+]CCc2ccccc2)CC1 ZINC000065308261 519772534 /nfs/dbraw/zinc/77/25/34/519772534.db2.gz VZOQCGSNXHJRSN-OAQYLSRUSA-N 1 0 436.600 4.257 50 30 IIEARO C[C@]1(C(=O)Nc2ccc(Cl)cc2)c2cccc[n+]2CC(=O)N1c1ccc(Cl)cc1 ZINC000020322499 525220017 /nfs/dbraw/zinc/22/00/17/525220017.db2.gz NSYOVNAKMCFLBC-JOCHJYFZSA-O 1 0 427.311 4.182 50 30 IIEARO Cn1cc[n+](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000060272741 525400009 /nfs/dbraw/zinc/40/00/09/525400009.db2.gz LPLXWQSSQAKOTM-UHFFFAOYSA-N 1 0 429.200 4.442 50 30 IIEARO Cc1ccc(CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)c[n+]1CC(=O)c1ccccc1 ZINC000002810245 555826967 /nfs/dbraw/zinc/82/69/67/555826967.db2.gz HKVBDXHFZPAQHN-UHFFFAOYSA-N 1 0 436.597 4.479 50 30 IIEARO O=C(C[n+]1c2cc(C(F)(F)F)ccc2n2c1CCCCC2)c1ccc2c(c1)OCCO2 ZINC000015953159 556569365 /nfs/dbraw/zinc/56/93/65/556569365.db2.gz BECOSDFVPDUNNN-UHFFFAOYSA-N 1 0 431.434 4.328 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1C ZINC000019358595 556745671 /nfs/dbraw/zinc/74/56/71/556745671.db2.gz NUROKGOXRXWAGP-QFIPXVFZSA-N 1 0 440.515 4.063 50 30 IIEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000019883225 556937635 /nfs/dbraw/zinc/93/76/35/556937635.db2.gz CZZFJKOYTNOHJN-INIZCTEOSA-N 1 0 425.337 4.195 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(F)cc2)cc1 ZINC000019938542 556952571 /nfs/dbraw/zinc/95/25/71/556952571.db2.gz MWWVTWLNVUXNID-QFIPXVFZSA-N 1 0 440.515 4.145 50 30 IIEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000019938534 556952651 /nfs/dbraw/zinc/95/26/51/556952651.db2.gz MFPJJOWAZYAEKR-JOCHJYFZSA-N 1 0 440.540 4.297 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(C)cc1 ZINC000020079508 556978737 /nfs/dbraw/zinc/97/87/37/556978737.db2.gz ZFTHYUQXZGEVFP-HSZRJFAPSA-N 1 0 436.552 4.232 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccccc1 ZINC000020219852 556999974 /nfs/dbraw/zinc/99/99/74/556999974.db2.gz WYVDNFIMSGLOSX-JOCHJYFZSA-N 1 0 448.519 4.362 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccco1 ZINC000020232551 557001902 /nfs/dbraw/zinc/00/19/02/557001902.db2.gz JNALMXXADPLPTM-FQEVSTJZSA-N 1 0 446.931 4.252 50 30 IIEARO CC(C)C[C@@H](C)[NH+]1CCN(C(Nc2cccc(C(=O)[O-])c2)=[NH+]Cc2ccc(F)cc2)CC1 ZINC000046022094 557021684 /nfs/dbraw/zinc/02/16/84/557021684.db2.gz HNVXPQJRUCFHQZ-LJQANCHMSA-N 1 0 440.563 4.353 50 30 IIEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102870473 557395606 /nfs/dbraw/zinc/39/56/06/557395606.db2.gz QSTVFYINJDHKMV-JBCNATCCSA-N 1 0 442.943 4.111 50 30 IIEARO CC1=C2C(=O)[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@@H]1[C@H]2C ZINC000244564025 560037262 /nfs/dbraw/zinc/03/72/62/560037262.db2.gz CLEXYFLHGFJONT-DMFIJYMESA-N 1 0 425.613 4.181 50 30 biogenic,in-vitro IIEARO COc1c2c(cc3c1[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N+](C)(C)CC3)OCO2 ZINC000001888410 568917641 /nfs/dbraw/zinc/91/76/41/568917641.db2.gz ZRWJISAAZOOQCN-DEOSSOPVSA-O 1 0 445.539 4.003 50 30 biogenic IIEARO CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020229621 569357023 /nfs/dbraw/zinc/35/70/23/569357023.db2.gz DHAARLKISXOOJR-OAQYLSRUSA-N 1 0 442.943 4.267 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1Cl ZINC000020265016 569358639 /nfs/dbraw/zinc/35/86/39/569358639.db2.gz SSYCTKIXNMXAID-NRFANRHFSA-N 1 0 442.943 4.187 50 30 IIEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000009065560 569499668 /nfs/dbraw/zinc/49/96/68/569499668.db2.gz MDTMHMYSUKGTPE-SBXHHDGASA-N 1 0 448.563 4.323 50 30 IIEARO C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000009328253 569522850 /nfs/dbraw/zinc/52/28/50/569522850.db2.gz NIZQTUZJGWZCMX-QHCPKHFHSA-N 1 0 432.520 4.081 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(C)cc2)cc1 ZINC000009339569 569523755 /nfs/dbraw/zinc/52/37/55/569523755.db2.gz NTMSNPBILSTBKN-AYWGPLOBSA-N 1 0 436.552 4.157 50 30 IIEARO C#CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)[C@H](C)CC ZINC000036316224 518299584 /nfs/dbraw/zinc/29/95/84/518299584.db2.gz XKQMEADLIKYDSS-GGAORHGYSA-N 1 0 447.579 4.491 50 30 IIEARO C#CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C ZINC000036308087 518310541 /nfs/dbraw/zinc/31/05/41/518310541.db2.gz LJSDHBJJOBZTBO-HSZRJFAPSA-N 1 0 447.579 4.348 50 30 IIEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCc5cc(OC)c(OC)cc5C4)[C@H]3C[C@H]12 ZINC000012886486 518662111 /nfs/dbraw/zinc/66/21/11/518662111.db2.gz WTPYXBISXXLCCB-NAJCILGRSA-N 1 0 425.569 4.376 50 30 biogenic IIEARO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1C[NH+]1CCC(C)CC1 ZINC000035991749 518839920 /nfs/dbraw/zinc/83/99/20/518839920.db2.gz HSVYSBYAVIIEMZ-NRFANRHFSA-N 1 0 431.964 4.141 50 30 IIEARO C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1OC ZINC000040162127 519011113 /nfs/dbraw/zinc/01/11/13/519011113.db2.gz JQQGOELVSCMCNN-RSNBEDGSSA-N 1 0 448.563 4.378 50 30 IIEARO CCOc1ccc(C(=O)N2CCC[C@@]3(C2)Nc2cccnc2[NH+]=C3NC2CCCC2)cc1 ZINC000096309776 520895970 /nfs/dbraw/zinc/89/59/70/520895970.db2.gz DMWJAOXDZTZXIP-VWLOTQADSA-N 1 0 433.556 4.334 50 30 biogenic IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2F)cc1Cl ZINC000013127306 523553532 /nfs/dbraw/zinc/55/35/32/523553532.db2.gz ORNDBZDPUWSXEW-HXUWFJFHSA-N 1 0 446.906 4.018 50 30 IIEARO Cc1cccc(C)c1NC(=O)[C@@H]1c2cccc[n+]2CC(=O)N1c1cccc(C(F)(F)F)c1 ZINC000013367024 524295395 /nfs/dbraw/zinc/29/53/95/524295395.db2.gz DBHUNXYXQGLIKF-QFIPXVFZSA-O 1 0 440.445 4.336 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000015722462 556545211 /nfs/dbraw/zinc/54/52/11/556545211.db2.gz MVKQXALUOUGMNW-VLSFKVKESA-N 1 0 434.536 4.015 50 30 IIEARO CC1=C2C(=O)C3=C(CC=C4C[C@@H](O)CC[C@]34C)[C@H]2CCC1[C@H](C)[C@@H]1[NH2+]C[C@H](C)C[C@@H]1O ZINC000253484713 556583819 /nfs/dbraw/zinc/58/38/19/556583819.db2.gz JEOLXONPOHXANX-SQLYNZNNSA-N 1 0 425.613 4.085 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(C)cc2)cc1 ZINC000016732509 556631807 /nfs/dbraw/zinc/63/18/07/556631807.db2.gz XBMGDTSATKREHQ-DEOSSOPVSA-N 1 0 448.563 4.480 50 30 IIEARO CCOc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000016736598 556633625 /nfs/dbraw/zinc/63/36/25/556633625.db2.gz OZECRDNYZCGXRH-JOPVOSQUSA-N 1 0 434.536 4.015 50 30 IIEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000019884170 556937915 /nfs/dbraw/zinc/93/79/15/556937915.db2.gz CFRFEQZUOXZHKJ-GOSISDBHSA-N 1 0 437.298 4.272 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000020029293 556968112 /nfs/dbraw/zinc/96/81/12/556968112.db2.gz LEHABFYQDXKERK-HSZRJFAPSA-N 1 0 436.552 4.349 50 30 IIEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3ccc(C)cc3)oc21 ZINC000020219436 556999837 /nfs/dbraw/zinc/99/98/37/556999837.db2.gz BNFDBSKXDDLTTD-JOCHJYFZSA-N 1 0 448.519 4.280 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccccc1 ZINC000020289241 557005761 /nfs/dbraw/zinc/00/57/61/557005761.db2.gz JQLWNMIZPBYERW-KOSHJBKYSA-N 1 0 448.563 4.320 50 30 IIEARO Cc1ccc(C[NH+]=C(Nc2cccc(C(=O)[O-])c2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000046021969 557021605 /nfs/dbraw/zinc/02/16/05/557021605.db2.gz WVMANEHMGLAPHI-UHFFFAOYSA-N 1 0 434.584 4.421 50 30 IIEARO CC(C)C[C@H](C)[NH+]1CCN(C(Nc2cccc(C(=O)[O-])c2)=[NH+]Cc2ccc(F)cc2)CC1 ZINC000046022096 557021664 /nfs/dbraw/zinc/02/16/64/557021664.db2.gz HNVXPQJRUCFHQZ-IBGZPJMESA-N 1 0 440.563 4.353 50 30 IIEARO CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000102858200 557399131 /nfs/dbraw/zinc/39/91/31/557399131.db2.gz LSTIYOXTSWLBEL-MRJHHRETSA-N 1 0 442.943 4.112 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccccc1 ZINC000102861432 557402268 /nfs/dbraw/zinc/40/22/68/557402268.db2.gz XBEKZEYAKXPQJK-SEYKGGGTSA-N 1 0 448.563 4.164 50 30 IIEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000102930231 557413990 /nfs/dbraw/zinc/41/39/90/557413990.db2.gz PUQNLMLZTOVREG-WOOAAIBNSA-N 1 0 441.597 4.041 50 30 IIEARO O=C(C[n+]1cccc(C(=O)Nc2ccccc2)c1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000001882112 568917440 /nfs/dbraw/zinc/91/74/40/568917440.db2.gz DBYNPBSEYSAOIS-UHFFFAOYSA-O 1 0 436.491 4.362 50 30 IIEARO COc1cccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1OC ZINC000016620871 568926349 /nfs/dbraw/zinc/92/63/49/568926349.db2.gz DASMKRWCEIURFW-UHFFFAOYSA-N 1 0 427.570 4.366 50 30 IIEARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]CCCc1[nH]nc(N)c1C#N ZINC000013112549 569310474 /nfs/dbraw/zinc/31/04/74/569310474.db2.gz FMLONXIXWCOMCV-UHFFFAOYSA-N 1 0 445.502 4.012 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(C)cc2)cc1 ZINC000020190010 569355686 /nfs/dbraw/zinc/35/56/86/569355686.db2.gz PHLVDHWYOLYRBC-HSZRJFAPSA-N 1 0 436.552 4.314 50 30 IIEARO CSc1nc(N2CC[NH+](CCCc3ccccc3)CC2)c2c(c1C#N)CC(C)(C)OC2 ZINC000095477929 569373364 /nfs/dbraw/zinc/37/33/64/569373364.db2.gz SXWGXLCMLZCDQX-UHFFFAOYSA-N 1 0 436.625 4.281 50 30 IIEARO O=C(Nc1ccc2c(c1)CCC2)N1CC[C@@]2(C1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000096310036 569392612 /nfs/dbraw/zinc/39/26/12/569392612.db2.gz TURRDHKZTDKVEG-VWLOTQADSA-N 1 0 430.556 4.425 50 30 biogenic IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(OC)c1 ZINC000009007878 569496227 /nfs/dbraw/zinc/49/62/27/569496227.db2.gz KYWJDSZNLHIZCW-JBCNATCCSA-N 1 0 442.943 4.112 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 ZINC000009008756 569496294 /nfs/dbraw/zinc/49/62/94/569496294.db2.gz PALSSTOLOHFMDM-AYWGPLOBSA-N 1 0 436.552 4.157 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(C)o1 ZINC000009041690 569497557 /nfs/dbraw/zinc/49/75/57/569497557.db2.gz QKKOXPOOBJTZFB-MOBKVPTQSA-N 1 0 436.508 4.488 50 30 IIEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000009046623 569498402 /nfs/dbraw/zinc/49/84/02/569498402.db2.gz AFLFPIGDTFTYJF-IBGZPJMESA-N 1 0 441.597 4.197 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1Cl ZINC000009339563 569523760 /nfs/dbraw/zinc/52/37/60/569523760.db2.gz DIGKNTCAQVPERH-MRJHHRETSA-N 1 0 442.943 4.030 50 30 IIEARO [NH2+]=C(Cc1cccc2ccccc21)NOC(=O)c1cccc(I)c1 ZINC000009347883 569524314 /nfs/dbraw/zinc/52/43/14/569524314.db2.gz ZGFQEIULZSJGKA-UHFFFAOYSA-N 1 0 430.245 4.116 50 30 IIEARO C=CCOC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC000036146587 518989409 /nfs/dbraw/zinc/98/94/09/518989409.db2.gz JMINTAAOYOSRBR-XZOQPEGZSA-N 1 0 428.960 4.207 50 30 IIEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)cc1C ZINC000013427142 520325884 /nfs/dbraw/zinc/32/58/84/520325884.db2.gz AGJDTYFKOHFYES-QHCPKHFHSA-N 1 0 436.552 4.314 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000102882132 520600721 /nfs/dbraw/zinc/60/07/21/520600721.db2.gz NGCIKXUZCXHETE-MOBKVPTQSA-N 1 0 440.540 4.220 50 30 IIEARO CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000012526301 521210152 /nfs/dbraw/zinc/21/01/52/521210152.db2.gz KBOSYVGPYAXZPS-UHFFFAOYSA-N 1 0 445.585 4.064 50 30 IIEARO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000013000670 523479293 /nfs/dbraw/zinc/47/92/93/523479293.db2.gz TUPYTLNFCXRNFP-PXNSSMCTSA-N 1 0 449.580 4.357 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2F)cc1Cl ZINC000013127307 523551794 /nfs/dbraw/zinc/55/17/94/523551794.db2.gz ORNDBZDPUWSXEW-FQEVSTJZSA-N 1 0 446.906 4.018 50 30 IIEARO Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccccc1 ZINC000013569908 525354365 /nfs/dbraw/zinc/35/43/65/525354365.db2.gz ZMBBJEACTPDORP-QHCPKHFHSA-N 1 0 436.552 4.312 50 30 IIEARO O=C(NCc1ccc(F)cc1)N1CC[C@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000096309989 526672101 /nfs/dbraw/zinc/67/21/01/526672101.db2.gz SLOCPPVDBCLPPR-RUZDIDTESA-N 1 0 444.514 4.011 50 30 biogenic IIEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)ccc1OC(C)C ZINC000008744137 556208492 /nfs/dbraw/zinc/20/84/92/556208492.db2.gz GTOSMQGYTNNGIH-QHCPKHFHSA-N 1 0 436.552 4.312 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)o2)cc1Cl ZINC000008836127 556226019 /nfs/dbraw/zinc/22/60/19/556226019.db2.gz KJXZMGDDQSIRJQ-HXUWFJFHSA-N 1 0 446.931 4.170 50 30 IIEARO CCOc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000016736596 556633568 /nfs/dbraw/zinc/63/35/68/556633568.db2.gz OZECRDNYZCGXRH-VLSFKVKESA-N 1 0 434.536 4.015 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(Cl)c1 ZINC000019938577 556952640 /nfs/dbraw/zinc/95/26/40/556952640.db2.gz RCZMGCBXARHNGK-HXUWFJFHSA-N 1 0 430.907 4.399 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1F ZINC000020135596 556988485 /nfs/dbraw/zinc/98/84/85/556988485.db2.gz WHYAUIKWFJOMIT-HXUWFJFHSA-N 1 0 430.907 4.399 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccccc1 ZINC000020219851 556999993 /nfs/dbraw/zinc/99/99/93/556999993.db2.gz WYVDNFIMSGLOSX-QFIPXVFZSA-N 1 0 448.519 4.362 50 30 IIEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000020230291 557001757 /nfs/dbraw/zinc/00/17/57/557001757.db2.gz XKSGIQXTUFNZBO-LJQANCHMSA-N 1 0 449.334 4.142 50 30 IIEARO O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)Nc1ccc2c(c1)OCCO2 ZINC000017248996 557042441 /nfs/dbraw/zinc/04/24/41/557042441.db2.gz VRDGPXPXPGXDCJ-UHFFFAOYSA-O 1 0 445.326 4.106 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000024116250 557138123 /nfs/dbraw/zinc/13/81/23/557138123.db2.gz QBYHSEIRQGQYSA-HSZRJFAPSA-N 1 0 434.536 4.008 50 30 IIEARO C=C(C)Cn1nc(C)c(CCC(=O)N(CCCOC)C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1C ZINC000583647626 557241163 /nfs/dbraw/zinc/24/11/63/557241163.db2.gz VTCKMNNPRGWZOQ-ZCYQVOJMSA-N 1 0 444.664 4.138 50 30 biogenic IIEARO CCCC[N@H+](CC)CCCNC(=S)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000008690758 562963271 /nfs/dbraw/zinc/96/32/71/562963271.db2.gz WIDYBWZVNBWWJA-UHFFFAOYSA-N 1 0 429.634 4.333 50 30 IIEARO C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000004073125 568760476 /nfs/dbraw/zinc/76/04/76/568760476.db2.gz MHXARIVPIJEABA-WJXVZKHPSA-N 1 0 425.544 4.442 50 30 biogenic IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)c(F)c2)[C@H]1c1ccc(OC)cc1 ZINC000016731150 568792493 /nfs/dbraw/zinc/79/24/93/568792493.db2.gz DEODPEUSHPCOIF-JOCHJYFZSA-N 1 0 440.515 4.063 50 30 IIEARO COc1ccc(C(=O)N=C(Nc2ccc(F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000015729089 568813279 /nfs/dbraw/zinc/81/32/79/568813279.db2.gz RMUPLHJNPXIUBW-UHFFFAOYSA-N 1 0 438.547 4.393 50 30 IIEARO C=CCOc1ccccc1C[NH+]1CCC2(CC1)C(=O)N(CC)C(=O)N2CCc1ccccc1 ZINC000014538588 568826327 /nfs/dbraw/zinc/82/63/27/568826327.db2.gz GRSJZQJXQPJWQA-UHFFFAOYSA-N 1 0 447.579 4.113 50 30 IIEARO C[N@@H+]1CCc2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)c(-c3ccccc3)c2C1 ZINC000016189204 568872422 /nfs/dbraw/zinc/87/24/22/568872422.db2.gz GIFCNEHOZUFGQC-UHFFFAOYSA-N 1 0 432.524 4.478 50 30 IIEARO O=C(c1ccccc1C[n+]1ccccc1)C1=C2NC(=O)c3ccccc3N2Cc2ccccc21 ZINC000001781011 568907099 /nfs/dbraw/zinc/90/70/99/568907099.db2.gz SDMMVBGQOZXOEO-UHFFFAOYSA-O 1 0 444.514 4.338 50 30 IIEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000017161277 569175176 /nfs/dbraw/zinc/17/51/76/569175176.db2.gz JBDLBXQDNHNLDM-LJQANCHMSA-N 1 0 427.570 4.023 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(C)cc1 ZINC000020132135 569335441 /nfs/dbraw/zinc/33/54/41/569335441.db2.gz VOZFMWZQNZOQQC-HSZRJFAPSA-N 1 0 436.552 4.314 50 30 IIEARO Cc1cc(O)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(Cl)c2)cc1C ZINC000020310090 569360122 /nfs/dbraw/zinc/36/01/22/569360122.db2.gz NKCNKEQLKCLQFB-OAQYLSRUSA-N 1 0 442.943 4.192 50 30 IIEARO CCOc1ccc(CC(=O)N2CCC[C@]3(C2)Nc2cccnc2[NH+]=C3NC2CCCC2)cc1 ZINC000096309807 569392440 /nfs/dbraw/zinc/39/24/40/569392440.db2.gz YHOCLBUXTDFQBK-AREMUKBSSA-N 1 0 447.583 4.263 50 30 biogenic IIEARO O=C(Cc1c[nH]c2ccccc12)N1CCC[C@]2(C1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000096309781 569392508 /nfs/dbraw/zinc/39/25/08/569392508.db2.gz NPTPDFSXKQAQFA-AREMUKBSSA-N 1 0 442.567 4.345 50 30 biogenic IIEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000008738738 569472749 /nfs/dbraw/zinc/47/27/49/569472749.db2.gz ACMTZLQDRIAVSJ-WOOAAIBNSA-N 1 0 433.335 4.367 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000008905187 569484583 /nfs/dbraw/zinc/48/45/83/569484583.db2.gz FALOWUHRCKYGEA-JBCNATCCSA-N 1 0 426.944 4.494 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccc(Cl)c1 ZINC000009007491 569496123 /nfs/dbraw/zinc/49/61/23/569496123.db2.gz ZHMDVMUDDKDODH-SELCWUDQSA-N 1 0 447.988 4.177 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)cc1Cl ZINC000009008610 569496306 /nfs/dbraw/zinc/49/63/06/569496306.db2.gz QSLBUMWOVYXUSH-OAQYLSRUSA-N 1 0 442.943 4.269 50 30 IIEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(Cl)cc1 ZINC000009235044 569514104 /nfs/dbraw/zinc/51/41/04/569514104.db2.gz STMQJKIHAYPYEC-JBCNATCCSA-N 1 0 438.911 4.460 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(OC(C)C)cc1 ZINC000009270644 569517694 /nfs/dbraw/zinc/51/76/94/569517694.db2.gz CXXJNWNDOWNBII-HOGKFDNTSA-N 1 0 440.540 4.139 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000009275515 569518354 /nfs/dbraw/zinc/51/83/54/569518354.db2.gz WOJANUTYNNVQMJ-MRJHHRETSA-N 1 0 426.944 4.412 50 30 IIEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)cc1 ZINC000009329381 569522934 /nfs/dbraw/zinc/52/29/34/569522934.db2.gz SQHDAULKXDCHPU-QHCPKHFHSA-N 1 0 436.552 4.251 50 30 IIEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)cc1 ZINC000009361279 569525849 /nfs/dbraw/zinc/52/58/49/569525849.db2.gz KRTFMBMWGNJYNM-OAQYLSRUSA-N 1 0 442.581 4.313 50 30 IIEARO C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000010233150 569579491 /nfs/dbraw/zinc/57/94/91/569579491.db2.gz KCOHZPZNNSTWMN-XMMPIXPASA-N 1 0 446.547 4.472 50 30 IIEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1 ZINC000020229710 519019053 /nfs/dbraw/zinc/01/90/53/519019053.db2.gz SSQSAHKYSMNBRT-QHCPKHFHSA-N 1 0 434.536 4.090 50 30 IIEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102870472 519778212 /nfs/dbraw/zinc/77/82/12/519778212.db2.gz QSTVFYINJDHKMV-MRJHHRETSA-N 1 0 442.943 4.111 50 30 IIEARO CCCCCCCCC(=O)N1CCC([NH+]2CCC(C(=O)NCc3ccco3)CC2)CC1 ZINC000102995918 519971859 /nfs/dbraw/zinc/97/18/59/519971859.db2.gz RNZNMKGTLBGUPD-UHFFFAOYSA-N 1 0 431.621 4.349 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(C)cc1 ZINC000008893047 520599054 /nfs/dbraw/zinc/59/90/54/520599054.db2.gz VMHJPLYATCPREN-AYWGPLOBSA-N 1 0 436.552 4.157 50 30 IIEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000016945464 520602849 /nfs/dbraw/zinc/60/28/49/520602849.db2.gz DWJMEJDOEJKXPN-QFIPXVFZSA-N 1 0 440.540 4.377 50 30 IIEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000013551285 520656069 /nfs/dbraw/zinc/65/60/69/520656069.db2.gz OKHUGMDUYNSBGZ-NRFANRHFSA-N 1 0 442.943 4.269 50 30 IIEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000013123351 521266446 /nfs/dbraw/zinc/26/64/46/521266446.db2.gz HATRABWBOPCWJU-QFIPXVFZSA-N 1 0 440.515 4.145 50 30 IIEARO CCOC(=O)c1c(NC(=O)C[n+]2cc(Cl)n(C)c2)sc(Cl)c1-c1ccccc1 ZINC000040018130 521408696 /nfs/dbraw/zinc/40/86/96/521408696.db2.gz ZWONGDSYFJJKLX-UHFFFAOYSA-O 1 0 439.344 4.163 50 30 IIEARO COC(=O)c1ccc(NC(=O)C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)cc1 ZINC000013786289 556309145 /nfs/dbraw/zinc/30/91/45/556309145.db2.gz FAJZBHXSGOOZPL-UHFFFAOYSA-O 1 0 445.326 4.121 50 30 IIEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000032776968 556327199 /nfs/dbraw/zinc/32/71/99/556327199.db2.gz DFLYAEDUIDVGAY-UHFFFAOYSA-N 1 0 435.597 4.377 50 30 IIEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N[C@@H](C)c1ccccc1Cl ZINC000032777101 556327983 /nfs/dbraw/zinc/32/79/83/556327983.db2.gz FQUZVSZUIFMTTE-KRWDZBQOSA-N 1 0 448.036 4.115 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2F)cc1Cl ZINC000016733459 556632417 /nfs/dbraw/zinc/63/24/17/556632417.db2.gz NXLSENUSKKQFIW-HXUWFJFHSA-N 1 0 446.906 4.018 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1C ZINC000019358594 556745656 /nfs/dbraw/zinc/74/56/56/556745656.db2.gz NUROKGOXRXWAGP-JOCHJYFZSA-N 1 0 440.515 4.063 50 30 IIEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020119891 556987450 /nfs/dbraw/zinc/98/74/50/556987450.db2.gz UHXMOESFQBWMPD-HSZRJFAPSA-N 1 0 436.552 4.314 50 30 IIEARO C=CCOc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020193032 556996925 /nfs/dbraw/zinc/99/69/25/556996925.db2.gz HOOXIYLSMVJTOX-QHCPKHFHSA-N 1 0 446.503 4.138 50 30 IIEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000024081321 557135542 /nfs/dbraw/zinc/13/55/42/557135542.db2.gz UMCSJORYPAJVRJ-OAQYLSRUSA-N 1 0 442.943 4.187 50 30 IIEARO C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000016752229 568830461 /nfs/dbraw/zinc/83/04/61/568830461.db2.gz VFQCVQPKEHIYRU-HSZRJFAPSA-N 1 0 432.520 4.163 50 30 IIEARO COc1c2c(cc3c1[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N+](C)(C)CC3)OCO2 ZINC000001888412 568917621 /nfs/dbraw/zinc/91/76/21/568917621.db2.gz ZRWJISAAZOOQCN-XMMPIXPASA-O 1 0 445.539 4.003 50 30 biogenic IIEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000020264151 569358473 /nfs/dbraw/zinc/35/84/73/569358473.db2.gz NSAICVADPWTDSA-JOCHJYFZSA-N 1 0 440.540 4.379 50 30 IIEARO Cn1nc(C(F)(F)F)c(C#N)c1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020388976 569363335 /nfs/dbraw/zinc/36/33/35/569363335.db2.gz AHIUZUVXOHJJRI-UHFFFAOYSA-N 1 0 425.458 4.222 50 30 IIEARO COc1ccc(NC(=O)N2CC[C@]3(C2)Nc2cccnc2[NH+]=C3NC2CCCC2)c(C)c1 ZINC000096310041 569392593 /nfs/dbraw/zinc/39/25/93/569392593.db2.gz DQMLSXLYRQJMQV-XMMPIXPASA-N 1 0 434.544 4.254 50 30 biogenic IIEARO COc1ccc(NC(=O)N2CC[C@@]3(C2)Nc2cccnc2[NH+]=C3NC2CCCC2)c(C)c1 ZINC000096310042 569392632 /nfs/dbraw/zinc/39/26/32/569392632.db2.gz DQMLSXLYRQJMQV-DEOSSOPVSA-N 1 0 434.544 4.254 50 30 biogenic IIEARO Cc1cccc(N2CC[N@@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)C[C@@H]2C)c1 ZINC000057380022 569432566 /nfs/dbraw/zinc/43/25/66/569432566.db2.gz PRAKNMCMUCYNKL-SNBLZRPZSA-N 1 0 438.612 4.031 50 30 biogenic IIEARO N#Cc1ccc(CCC(=O)N2CCC([N@@H+]3CCC[C@@H]3COCc3ccccc3)CC2)cc1 ZINC000217598570 569449793 /nfs/dbraw/zinc/44/97/93/569449793.db2.gz SNLKJVKTGAOMAV-AREMUKBSSA-N 1 0 431.580 4.163 50 30 IIEARO COc1c2c(cc(CC[NH+](C)C)c1/C=C/C(=O)c1ccc(Br)cc1)OCO2 ZINC000008789659 569475944 /nfs/dbraw/zinc/47/59/44/569475944.db2.gz BKEMLHYTEQVLPN-CMDGGOBGSA-N 1 0 432.314 4.187 50 30 biogenic IIEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000008893365 569483561 /nfs/dbraw/zinc/48/35/61/569483561.db2.gz BBZXKKPLMYYQIG-AYWGPLOBSA-N 1 0 434.536 4.015 50 30 IIEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000009123692 569504236 /nfs/dbraw/zinc/50/42/36/569504236.db2.gz ZUDXRFDMPPLHRI-MOBKVPTQSA-N 1 0 440.540 4.140 50 30 IIEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)cc1 ZINC000009361278 569525879 /nfs/dbraw/zinc/52/58/79/569525879.db2.gz KRTFMBMWGNJYNM-NRFANRHFSA-N 1 0 442.581 4.313 50 30 IIEARO