smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2sccn2c(=O)c1S(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000006784660 132316303 /nfs/dbraw/zinc/31/63/03/132316303.db2.gz MBPRBQBVGGKCOF-UHFFFAOYSA-N 1 0 419.532 1.617 50 0 HDAARO C[NH+](C)CCNC(=O)CN1c2ccccc2N(C(=O)NCc2ccccc2)CC1=O ZINC000009588353 132341329 /nfs/dbraw/zinc/34/13/29/132341329.db2.gz QIRUJBOZZAFZHR-UHFFFAOYSA-N 1 0 409.490 1.427 50 0 HDAARO CC1(C)CC(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC(C)(C)[NH2+]1 ZINC000012235060 132357449 /nfs/dbraw/zinc/35/74/49/132357449.db2.gz DGHQEMRYXUQORB-UHFFFAOYSA-N 1 0 405.547 1.266 50 0 HDAARO CC(C)Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C[C@@H]2CCCO2)cc1 ZINC000045974394 519437842 /nfs/dbraw/zinc/43/78/42/519437842.db2.gz KFLKGZMXIZGGLH-IBGZPJMESA-N 1 0 423.579 1.487 50 0 HDAARO CC(C)NS(=O)(=O)c1ccc(NCCN2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000032869516 519733088 /nfs/dbraw/zinc/73/30/88/519733088.db2.gz YLBQACXOIAUWDS-UHFFFAOYSA-N 1 0 417.579 1.998 50 0 HDAARO CCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000045944722 521628077 /nfs/dbraw/zinc/62/80/77/521628077.db2.gz OQVQXSMPROELEV-UHFFFAOYSA-N 1 0 418.357 1.672 50 0 HDAARO CCCn1c2ccccc2c2cnn(CC(=O)NCCN3CC[NH+](C)CC3)c(=O)c21 ZINC000020557149 521637835 /nfs/dbraw/zinc/63/78/35/521637835.db2.gz JSBZISJZBYJMGQ-UHFFFAOYSA-N 1 0 410.522 1.125 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@@]21C(=O)Nc2c1ccc(C)c2C ZINC000020566279 523807438 /nfs/dbraw/zinc/80/74/38/523807438.db2.gz YFTBBHYIRIHMIZ-YUWJWYLASA-N 1 0 417.531 1.423 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](CCSC)[NH2+][C@@]3(C(=O)Nc4c3cccc4Cl)[C@H]2C1=O ZINC000247833689 523808216 /nfs/dbraw/zinc/80/82/16/523808216.db2.gz IISFTMMHVZGFKS-FGBSKUFISA-N 1 0 423.922 1.460 50 0 HDAARO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2cccc(C)c2)cc1 ZINC000045974816 525009038 /nfs/dbraw/zinc/00/90/38/525009038.db2.gz GSFVHSPXHNFQBF-UHFFFAOYSA-N 1 0 417.531 1.626 50 0 HDAARO Cn1c2nc(NCC[NH+](C)C)n(Cc3cccc(Br)c3)c2c(=O)[nH]c1=O ZINC000001268915 557253323 /nfs/dbraw/zinc/25/33/23/557253323.db2.gz GXRMLSFBABTQSE-UHFFFAOYSA-N 1 0 421.299 1.620 50 0 HDAARO COc1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022778481 557821159 /nfs/dbraw/zinc/82/11/59/557821159.db2.gz GVKXHTMJDLFTJL-JOCHJYFZSA-N 1 0 424.545 1.725 50 0 HDAARO Cc1cn2c(nc3c2c(=O)n(CCCc2ccccc2)c(=O)n3C)n1CC[NH+](C)C ZINC000009060270 557821179 /nfs/dbraw/zinc/82/11/79/557821179.db2.gz RPJUKTILFKSWCO-UHFFFAOYSA-N 1 0 408.506 1.652 50 0 HDAARO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cccc(C)n1)CC2 ZINC000019740364 558261073 /nfs/dbraw/zinc/26/10/73/558261073.db2.gz UCDXKWKUWOUENV-SFHVURJKSA-N 1 0 400.527 1.890 50 0 HDAARO COCC(=O)N[C@H](c1nnc2n1CC[N@@H+](Cc1cccc(OC)c1)CC2)C(C)C ZINC000011911229 558296929 /nfs/dbraw/zinc/29/69/29/558296929.db2.gz YUYXZUPJELXNRN-FQEVSTJZSA-N 1 0 401.511 1.805 50 0 HDAARO COc1cc(C[NH2+]CCN2CCOCC2)ccc1Oc1nnnn1-c1ccccc1 ZINC000019872514 558299830 /nfs/dbraw/zinc/29/98/30/558299830.db2.gz DZUUPZMDNZQMMM-UHFFFAOYSA-N 1 0 410.478 1.885 50 0 HDAARO CCCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020026501 558322561 /nfs/dbraw/zinc/32/25/61/558322561.db2.gz JLYHADGRJMVWIG-UHFFFAOYSA-N 1 0 410.522 1.162 50 0 HDAARO COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(CN(C)Cc2nc(C)c[nH]2)c1 ZINC000020149065 558340073 /nfs/dbraw/zinc/34/00/73/558340073.db2.gz YQALIZOLSPXAGU-LJQANCHMSA-N 1 0 418.538 1.555 50 0 HDAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3cccc(OCCO)c3)CC2)O1)[C@@H]1CCCO1 ZINC000012182973 558343832 /nfs/dbraw/zinc/34/38/32/558343832.db2.gz LVPWTIMEPDYLOD-RTWAWAEBSA-N 1 0 418.534 1.867 50 0 HDAARO COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)C[NH+]3CCCCC3)C2)cc1 ZINC000012202838 558351814 /nfs/dbraw/zinc/35/18/14/558351814.db2.gz WPXXAYOZKAHMPT-QGZVFWFLSA-N 1 0 409.552 1.698 50 0 HDAARO CC1(C)CC(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC(C)(C)[NH2+]1 ZINC000012384377 558393972 /nfs/dbraw/zinc/39/39/72/558393972.db2.gz RESRLIUHSZMHDL-UHFFFAOYSA-N 1 0 409.552 1.747 50 0 HDAARO COC(=O)C1CC[NH+](Cc2ccc(OC[C@@H](O)CN3CCOCC3)c(OC)c2)CC1 ZINC000012386170 558395102 /nfs/dbraw/zinc/39/51/02/558395102.db2.gz MSXXFLNVSAXKAF-IBGZPJMESA-N 1 0 422.522 1.152 50 0 HDAARO COc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCC(OCc4cccnc4)CC3)C2)cc1 ZINC000012429965 558404775 /nfs/dbraw/zinc/40/47/75/558404775.db2.gz DPXMCHJLEPMBHG-VXKWHMMOSA-N 1 0 411.502 1.957 50 0 HDAARO COCC(=O)N1CCC(Oc2ccc(C(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000020863258 558417816 /nfs/dbraw/zinc/41/78/16/558417816.db2.gz DYVLHQFAZUZEES-KRWDZBQOSA-N 1 0 403.523 1.774 50 0 HDAARO C[C@@H]1CN(C(=O)c2nc3sccn3c2C[NH2+]CCN2CCOC2=O)C[C@H](C)O1 ZINC000020916589 558423107 /nfs/dbraw/zinc/42/31/07/558423107.db2.gz ICVNOIJQATUCSV-BETUJISGSA-N 1 0 407.496 1.187 50 0 HDAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CCn1cnnn1 ZINC000012709873 558451885 /nfs/dbraw/zinc/45/18/85/558451885.db2.gz GTWZSGLUITYHEI-LJQANCHMSA-N 1 0 400.527 1.875 50 0 HDAARO O=C(NCCC[NH+]1CCCCC1)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000004374539 558475290 /nfs/dbraw/zinc/47/52/90/558475290.db2.gz OOCGHQAYOKLPEX-MRXNPFEDSA-N 1 0 402.495 1.738 50 0 HDAARO Cc1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000013096101 558512991 /nfs/dbraw/zinc/51/29/91/558512991.db2.gz XNJSZQOFAPEPCX-IYBDPMFKSA-N 1 0 409.552 1.932 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000013625309 558550955 /nfs/dbraw/zinc/55/09/55/558550955.db2.gz VRCLJQBGOBULPA-GHTZIAJQSA-N 1 0 420.513 1.991 50 0 HDAARO C[C@@H](CNC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1)[N@@H+]1CCc2ccccc2C1 ZINC000024624414 558605512 /nfs/dbraw/zinc/60/55/12/558605512.db2.gz SWZALRGSXPRCME-IRXDYDNUSA-N 1 0 405.502 1.888 50 0 HDAARO Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCCC[NH+](C)C)c2ccco2)cc1 ZINC000004519012 558648369 /nfs/dbraw/zinc/64/83/69/558648369.db2.gz JXMYYUFZQGGIDD-SFHVURJKSA-N 1 0 421.519 1.287 50 0 HDAARO COc1ccc([C@H](CNC(=O)c2cnc3n(c2=O)CCS3)[NH+]2CCCC2)cc1 ZINC000014254203 558651038 /nfs/dbraw/zinc/65/10/38/558651038.db2.gz TZLDMMBVZKRJRU-KRWDZBQOSA-N 1 0 400.504 1.925 50 0 HDAARO COc1cccc(C[NH+]2CCC3(CC2)C(=O)N(CC(N)=O)C(=O)N3CCC(C)C)c1 ZINC000014542816 558660645 /nfs/dbraw/zinc/66/06/45/558660645.db2.gz GYKRSMITUVFWGE-UHFFFAOYSA-N 1 0 416.522 1.825 50 0 HDAARO CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](C/C=C/c1ccccc1OC)CC2 ZINC000014731353 558665516 /nfs/dbraw/zinc/66/55/16/558665516.db2.gz LVLDHAYTIXPSIT-SOFGYWHQSA-N 1 0 400.479 1.312 50 0 HDAARO CC(C)CN1C[C@H](OCc2ccccn2)CN(C(=O)C2CC[NH+](C)CC2)CC1=O ZINC000014745583 558668966 /nfs/dbraw/zinc/66/89/66/558668966.db2.gz BTHCKUHCIKIFGZ-FQEVSTJZSA-N 1 0 402.539 1.635 50 0 HDAARO Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1F)C2 ZINC000014751561 558670809 /nfs/dbraw/zinc/67/08/09/558670809.db2.gz SOLLFEDBVSAOCI-QGZVFWFLSA-N 1 0 415.513 1.268 50 0 HDAARO COc1ccccc1C[NH2+][C@H]1C[C@H]2C(=O)N[C@@H](COCc3ccccc3)C(=O)N2C1 ZINC000014755452 558671709 /nfs/dbraw/zinc/67/17/09/558671709.db2.gz VBXZLIBUDPMSAF-UFYCRDLUSA-N 1 0 409.486 1.470 50 0 HDAARO COc1cccc(N2CCN(C(=O)C[C@@H]3C(=O)NCC[N@H+]3CCC(C)C)CC2=O)c1 ZINC000014978691 558690244 /nfs/dbraw/zinc/69/02/44/558690244.db2.gz IPPGJYHTRGVXNG-LJQANCHMSA-N 1 0 416.522 1.107 50 0 HDAARO CCOc1ccccc1C[N@H+]1CCc2nnc([C@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000014992007 558694843 /nfs/dbraw/zinc/69/48/43/558694843.db2.gz SXUGFUANLLCQMM-LJQANCHMSA-N 1 0 421.567 1.981 50 0 HDAARO COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@H+](CC(C)C)CC2 ZINC000015003155 558698291 /nfs/dbraw/zinc/69/82/91/558698291.db2.gz CJZOOYHTEHGWIE-KRWDZBQOSA-N 1 0 419.522 1.539 50 0 HDAARO COc1cccc(C[NH2+]CC2(O)CCCCC2)c1OC[C@@H](O)CN1CCOCC1 ZINC000015063555 558706146 /nfs/dbraw/zinc/70/61/46/558706146.db2.gz NCFFMAPQVMFNRF-IBGZPJMESA-N 1 0 408.539 1.552 50 0 HDAARO COc1cc2c(cc1OC)C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC2 ZINC000030673227 558735609 /nfs/dbraw/zinc/73/56/09/558735609.db2.gz CBLLFASPJMAGHB-UHFFFAOYSA-N 1 0 419.503 1.738 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016022090 558767543 /nfs/dbraw/zinc/76/75/43/558767543.db2.gz IISFTMMHVZGFKS-PXWIGAEESA-N 1 0 423.922 1.460 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@@]21c2ccccc2NC1=O ZINC000016021977 558767610 /nfs/dbraw/zinc/76/76/10/558767610.db2.gz SUAAXFICVDZZOP-VKDGWMQASA-N 1 0 419.481 1.686 50 0 HDAARO C[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000016022277 558768090 /nfs/dbraw/zinc/76/80/90/558768090.db2.gz KGIBNLXTGYSZQO-DOHNZKJLSA-N 1 0 406.280 1.988 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@@]21c2cccc(Cl)c2NC1=O ZINC000016024777 558768639 /nfs/dbraw/zinc/76/86/39/558768639.db2.gz MFBMDYLIKLCJBX-IRHLFGLPSA-N 1 0 418.881 1.126 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@@]21c2cc(Cl)ccc2NC1=O ZINC000016024958 558768906 /nfs/dbraw/zinc/76/89/06/558768906.db2.gz JMGRXNUWPIAMAC-YEOLMYPVSA-N 1 0 418.881 1.126 50 0 HDAARO Cc1ccnc(N2CCC(C(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)CC2)n1 ZINC000035454480 558792059 /nfs/dbraw/zinc/79/20/59/558792059.db2.gz LAGLNJDXDUYXRN-UHFFFAOYSA-N 1 0 414.554 1.334 50 0 HDAARO Cc1cc(C)c(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)cc1C ZINC000038488312 558811569 /nfs/dbraw/zinc/81/15/69/558811569.db2.gz WVQPQBSLHHQNMT-UHFFFAOYSA-N 1 0 419.551 1.937 50 0 HDAARO Cc1nnc(C(=O)Nc2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc2)s1 ZINC000033011026 558830399 /nfs/dbraw/zinc/83/03/99/558830399.db2.gz GIAXYKGRZOTVLQ-UHFFFAOYSA-N 1 0 402.524 1.466 50 0 HDAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)Nc3ccc(-n4cncn4)nc3)cn2)CC1 ZINC000058145956 558901829 /nfs/dbraw/zinc/90/18/29/558901829.db2.gz VCJHMSKCXKPHGN-UHFFFAOYSA-N 1 0 407.482 1.521 50 0 HDAARO Cc1ocnc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071714938 558907423 /nfs/dbraw/zinc/90/74/23/558907423.db2.gz ZOMNORAVVMOSFA-KRWDZBQOSA-N 1 0 403.527 1.074 50 0 HDAARO O=C([C@H]1CCC[N@@H+](C2CCN(S(=O)(=O)c3cccnc3)CC2)C1)N1CCCC1 ZINC000071746530 558908368 /nfs/dbraw/zinc/90/83/68/558908368.db2.gz HYLGUISYNLKTMI-KRWDZBQOSA-N 1 0 406.552 1.569 50 0 HDAARO CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)c4cscn4)CC3)C2)CC1 ZINC000071760933 558910144 /nfs/dbraw/zinc/91/01/44/558910144.db2.gz OCAPBKHWXBUIFX-MRXNPFEDSA-N 1 0 405.568 1.234 50 0 HDAARO Nc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)[nH]n1 ZINC000071774790 558911560 /nfs/dbraw/zinc/91/15/60/558911560.db2.gz YPWMDMFNUBKONH-SFHVURJKSA-N 1 0 424.549 1.667 50 0 HDAARO CCn1nc(C(=O)N(CC(=O)N(C)C)C[C@H]2CCC[N@@H+]2CC)c2ccccc2c1=O ZINC000058223628 558913232 /nfs/dbraw/zinc/91/32/32/558913232.db2.gz ATMSMPATCNXWDQ-MRXNPFEDSA-N 1 0 413.522 1.431 50 0 HDAARO Cc1cccc(-c2nnc3ccc(N4CCC(C(=O)NCC[NH+](C)C)CC4)nn32)c1 ZINC000033260215 558926095 /nfs/dbraw/zinc/92/60/95/558926095.db2.gz YMJLGNMATSOUGF-UHFFFAOYSA-N 1 0 407.522 1.994 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)CC1 ZINC000033060170 558954362 /nfs/dbraw/zinc/95/43/62/558954362.db2.gz XIHKFGXESWUPNH-UHFFFAOYSA-N 1 0 418.523 1.166 50 0 HDAARO CC[NH+]1CCN(CCN2CC3(CCN(C(=O)c4ccc(O)cc4)CC3)OC2=O)CC1 ZINC000072430652 558979393 /nfs/dbraw/zinc/97/93/93/558979393.db2.gz SEVAXEATNDVNCR-UHFFFAOYSA-N 1 0 416.522 1.457 50 0 HDAARO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@H](C)C[NH+]3CCCC3)C2)cc1 ZINC000072437103 558980503 /nfs/dbraw/zinc/98/05/03/558980503.db2.gz PFCKZGUAMLSVOT-ROUUACIJSA-N 1 0 423.579 1.944 50 0 HDAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)[nH+]1 ZINC000072438139 558981465 /nfs/dbraw/zinc/98/14/65/558981465.db2.gz JVGHPIOCDMREBR-UHFFFAOYSA-N 1 0 422.533 1.854 50 0 HDAARO CNC(=O)[C@@H]1C[C@H](n2cc(CN(C)C(=O)C34CC5CC(CC(C5)C3)C4)nn2)C[NH2+]1 ZINC000067741628 558992056 /nfs/dbraw/zinc/99/20/56/558992056.db2.gz UTGJSVQFKKMQES-QUUFEMHMSA-N 1 0 400.527 1.102 50 0 HDAARO COc1cc(N2CCC3(CN(CCCN4CC[C@@H]([NH+](C)C)C4)C(=O)O3)CC2)ncn1 ZINC000077319849 559001218 /nfs/dbraw/zinc/00/12/18/559001218.db2.gz KKOUYPILHRJBQG-QGZVFWFLSA-N 1 0 418.542 1.302 50 0 HDAARO C[C@@H]([NH3+])C(=O)N1CCc2ccc(S(=O)(=O)NCCOc3ccccc3)cc2C1 ZINC000077342514 559001938 /nfs/dbraw/zinc/00/19/38/559001938.db2.gz CEGGWADBCSTKJE-OAHLLOKOSA-N 1 0 403.504 1.276 50 0 HDAARO CC[NH+]1CCN(CCN2CC3(CCN(C(=O)c4ccc(C)nc4)CC3)OC2=O)CC1 ZINC000077355322 559002238 /nfs/dbraw/zinc/00/22/38/559002238.db2.gz ZEKOZOKBQVAPQO-UHFFFAOYSA-N 1 0 415.538 1.455 50 0 HDAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)[nH+]1 ZINC000082230299 559042611 /nfs/dbraw/zinc/04/26/11/559042611.db2.gz LGYIHPVUSGCOIV-UHFFFAOYSA-N 1 0 420.517 1.994 50 0 HDAARO COCCn1c(=O)[nH]c2cc(C(=O)NCC[N@H+]3[C@H](C)CCC[C@@H]3C)ccc2c1=O ZINC000004791788 559065624 /nfs/dbraw/zinc/06/56/24/559065624.db2.gz YTQNMJFWDBQOMQ-GASCZTMLSA-N 1 0 402.495 1.329 50 0 HDAARO CCOC(=O)[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(C(=O)c1ccn(C)n1)C2 ZINC000091678966 559072965 /nfs/dbraw/zinc/07/29/65/559072965.db2.gz KALUPQHRBGAFMU-CBGDNZLLSA-N 1 0 404.511 1.316 50 0 HDAARO CN1CC[NH+]([C@H]2CCN(C(=O)c3nc4ccccn4c3F)C[C@H]2CCCO)CC1 ZINC000095369180 559080183 /nfs/dbraw/zinc/08/01/83/559080183.db2.gz FKWOPOYHTOUXRY-SJORKVTESA-N 1 0 403.502 1.324 50 0 HDAARO COCC(=O)N1CC[C@]2(O)CC[N@H+](Cc3[nH]c4ccc(OC)cc4c3C)C[C@@H]2C1 ZINC000095390058 559080884 /nfs/dbraw/zinc/08/08/84/559080884.db2.gz KTOCZKDIDFIZAO-OPAMFIHVSA-N 1 0 401.507 1.917 50 0 HDAARO O[C@@H](COc1cccc(CN2CC(N3CCOCC3)C2)c1)C[NH+]1CCCCCC1 ZINC000095496978 559081584 /nfs/dbraw/zinc/08/15/84/559081584.db2.gz SCYHQQWKUUNCAY-JOCHJYFZSA-N 1 0 403.567 1.819 50 0 HDAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC000095504329 559082902 /nfs/dbraw/zinc/08/29/02/559082902.db2.gz SCXRPDSQCNSLNW-UHFFFAOYSA-N 1 0 403.527 1.135 50 0 HDAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]([NH3+])C1CCCCC1)CC2 ZINC000095511547 559084096 /nfs/dbraw/zinc/08/40/96/559084096.db2.gz GXUGWWKRTSPOPC-SFHVURJKSA-N 1 0 403.527 1.166 50 0 HDAARO O[C@H](COc1cccc(C[NH+]2CCC(c3ncon3)CC2)c1)CN1CCOCC1 ZINC000095517007 559084575 /nfs/dbraw/zinc/08/45/75/559084575.db2.gz HOGKCDDZEDEESY-IBGZPJMESA-N 1 0 402.495 1.521 50 0 HDAARO CCn1cc(C(=O)NCC[NH+]2CCCC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000005042403 559235895 /nfs/dbraw/zinc/23/58/95/559235895.db2.gz VJHDLUNBFAOTCB-UHFFFAOYSA-N 1 0 420.535 1.097 50 0 HDAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc32)CC1 ZINC000005147945 559252928 /nfs/dbraw/zinc/25/29/28/559252928.db2.gz SGMWRKVLXJFWNH-UHFFFAOYSA-N 1 0 418.501 1.767 50 0 HDAARO Cc1nc(CN2CCN(C(=O)c3cn(CC[NH+]4CCCCC4)nn3)CC2)cs1 ZINC000011839579 559261448 /nfs/dbraw/zinc/26/14/48/559261448.db2.gz NNNQGOXVNOPUSF-UHFFFAOYSA-N 1 0 403.556 1.487 50 0 HDAARO COc1ccc(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000078984983 560541195 /nfs/dbraw/zinc/54/11/95/560541195.db2.gz QVRGUEBGXYSSLE-DOTOQJQBSA-N 1 0 423.535 1.529 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000005347300 560570678 /nfs/dbraw/zinc/57/06/78/560570678.db2.gz AFIFEWVLQBFXRN-IHSNIMORSA-N 1 0 405.882 1.753 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000005347899 560570888 /nfs/dbraw/zinc/57/08/88/560570888.db2.gz PMQGRELRZUNVEY-DLRJPAPCSA-N 1 0 403.454 1.629 50 0 HDAARO COc1cn(CC(=O)Nc2ccc(C(N)=O)cc2)c(C[NH+]2CCC(C)CC2)cc1=O ZINC000017245990 560705590 /nfs/dbraw/zinc/70/55/90/560705590.db2.gz RECOBHBSUTVWPS-UHFFFAOYSA-N 1 0 412.490 1.826 50 0 HDAARO COc1cc2nc(CN3C[C@H](SC)[C@@H]([NH+]4CCCC4)C3)[nH]c(=O)c2cc1OC ZINC000108395571 568418838 /nfs/dbraw/zinc/41/88/38/568418838.db2.gz IXKQWVHGVCUEDA-YJBOKZPZSA-N 1 0 404.536 1.952 50 0 HDAARO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)cn2)CC1 ZINC000048248938 568433375 /nfs/dbraw/zinc/43/33/75/568433375.db2.gz ZGBLHDQPBSDOFA-OXQOHEQNSA-N 1 0 403.552 1.294 50 0 HDAARO CCOc1ccc(N2CCn3c2nnc(C(=O)NCCC[NH+](CC)CC)c3=O)cc1 ZINC000012234072 568454740 /nfs/dbraw/zinc/45/47/40/568454740.db2.gz BZMFDNSKDHVCCV-UHFFFAOYSA-N 1 0 414.510 1.650 50 0 HDAARO COc1ccc(NC(=O)c2nnc(CCC(=O)NCC[NH+]3CCCC3)s2)cc1 ZINC000033061858 568510997 /nfs/dbraw/zinc/51/09/97/568510997.db2.gz RRVJIPOKRZGTCA-UHFFFAOYSA-N 1 0 403.508 1.944 50 0 HDAARO Cn1c(=O)c2c(n(C)c1=O)NCN(CC1CC[NH+](Cc3ccccc3F)CC1)C2 ZINC000020320191 568598858 /nfs/dbraw/zinc/59/88/58/568598858.db2.gz JUNXZNITBPRMSG-UHFFFAOYSA-N 1 0 401.486 1.320 50 0 HDAARO CCC[NH+]1CCN(C(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)CC1 ZINC000020355017 568599690 /nfs/dbraw/zinc/59/96/90/568599690.db2.gz MWXGEBIUFGFWCF-UHFFFAOYSA-N 1 0 405.502 1.937 50 0 HDAARO O=C(Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000095469278 568625613 /nfs/dbraw/zinc/62/56/13/568625613.db2.gz VOKKVDNLKRNZKB-GOSISDBHSA-N 1 0 423.477 1.103 50 0 HDAARO Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 ZINC000020614355 568637738 /nfs/dbraw/zinc/63/77/38/568637738.db2.gz OYNYMNCVZWNKPY-IBGZPJMESA-N 1 0 424.501 1.767 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000020996372 568656989 /nfs/dbraw/zinc/65/69/89/568656989.db2.gz NWBHPUUUIMZWCE-MRXNPFEDSA-N 1 0 402.568 1.661 50 0 HDAARO O=C(CCc1nnc2ccccn2c1=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000096231229 568707152 /nfs/dbraw/zinc/70/71/52/568707152.db2.gz CXNZLUCUOGAWES-UHFFFAOYSA-N 1 0 409.465 1.942 50 0 HDAARO OCC[NH+](CCO)C[C@@H](O)COc1ccc(Br)cc1Br ZINC000012420358 568720347 /nfs/dbraw/zinc/72/03/47/568720347.db2.gz FECCRTHMBZEZFO-LLVKDONJSA-N 1 0 413.106 1.238 50 0 HDAARO CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC000025436190 568768946 /nfs/dbraw/zinc/76/89/46/568768946.db2.gz OBFBQSIBXVTULZ-UHFFFAOYSA-N 1 0 408.568 1.826 50 0 HDAARO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000055407053 568774375 /nfs/dbraw/zinc/77/43/75/568774375.db2.gz WCEHUMBHGZCJFN-DLBZAZTESA-N 1 0 408.568 1.719 50 0 HDAARO COc1ccc(S(=O)(=O)NCCC(=O)NC2CC[NH+](C3CC3)CC2)cc1OC ZINC000029092377 568819127 /nfs/dbraw/zinc/81/91/27/568819127.db2.gz GQCYIZOMORENQX-UHFFFAOYSA-N 1 0 411.524 1.115 50 0 HDAARO CS(=O)(=O)N1CCN(C(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000057165427 568824747 /nfs/dbraw/zinc/82/47/47/568824747.db2.gz VIUXWRHPLWHYHM-UHFFFAOYSA-N 1 0 413.543 1.812 50 0 HDAARO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)C3CC[NH+](C)CC3)cc2)C[C@@H](C)O1 ZINC000003170997 568859483 /nfs/dbraw/zinc/85/94/83/568859483.db2.gz XDBPWDGWNAPYKQ-HZPDHXFCSA-N 1 0 409.552 1.651 50 0 HDAARO Cc1noc(C)c1C(=O)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299757323 568872869 /nfs/dbraw/zinc/87/28/69/568872869.db2.gz LPGUKUQFZDOYFF-GOSISDBHSA-N 1 0 404.511 1.371 50 0 HDAARO Cc1ccccc1[C@@]1(CC(=O)N2CCN(C)[C@@H](C)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299758740 568873142 /nfs/dbraw/zinc/87/31/42/568873142.db2.gz OYBPZDYXTUJALO-FDDCHVKYSA-N 1 0 414.550 1.106 50 0 HDAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccccc1F ZINC000299772385 568874310 /nfs/dbraw/zinc/87/43/10/568874310.db2.gz VPCXOVYORHZSNS-GOSISDBHSA-N 1 0 403.498 1.905 50 0 HDAARO Cc1cc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cc(C)n1 ZINC000299775554 568874589 /nfs/dbraw/zinc/87/45/89/568874589.db2.gz DTKUJXPHTUKTQE-NRFANRHFSA-N 1 0 414.550 1.778 50 0 HDAARO Cn1cc(C[NH+]2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)cn1 ZINC000299778703 568874645 /nfs/dbraw/zinc/87/46/45/568874645.db2.gz HGHRLLUTCJXQQN-FQEVSTJZSA-N 1 0 402.470 1.830 50 0 HDAARO O=C(NC[C@@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1)c1ccc(F)c(F)c1 ZINC000299778768 568874701 /nfs/dbraw/zinc/87/47/01/568874701.db2.gz QOVQKJABTNPBRT-QGZVFWFLSA-N 1 0 407.461 1.939 50 0 HDAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccccc1O ZINC000299778816 568874828 /nfs/dbraw/zinc/87/48/28/568874828.db2.gz OOIKQUHRJYUJHT-GOSISDBHSA-N 1 0 401.507 1.471 50 0 HDAARO Cc1cc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cnc1C ZINC000299783762 568875480 /nfs/dbraw/zinc/87/54/80/568875480.db2.gz UYTDCVZTJNCAOY-OAQYLSRUSA-N 1 0 414.550 1.778 50 0 HDAARO O=C(Cc1ccc(O)cc1)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299801525 568876759 /nfs/dbraw/zinc/87/67/59/568876759.db2.gz YZJYHPBEAYHBOW-OAQYLSRUSA-N 1 0 415.534 1.400 50 0 HDAARO COc1cc(C(=O)NCCC(=O)NCCC[NH+]2CCCCC2)cc(OC)c1OC ZINC000004078563 568882718 /nfs/dbraw/zinc/88/27/18/568882718.db2.gz IRZNRDXVKOEUBB-UHFFFAOYSA-N 1 0 407.511 1.825 50 0 HDAARO CC[NH+](CC)CCN1CC2=C(C1=O)[C@@H](c1cc(OC)cc(OC)c1)NC(=O)N2C ZINC000004145214 568916300 /nfs/dbraw/zinc/91/63/00/568916300.db2.gz UJICHHZSNWDGMO-LJQANCHMSA-N 1 0 402.495 1.838 50 0 HDAARO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccc2c(c1)OCC(=O)N2 ZINC000670448942 568921839 /nfs/dbraw/zinc/92/18/39/568921839.db2.gz QBRKEQJCRCTBCH-NZAVSEOKSA-N 1 0 418.497 1.315 50 0 HDAARO COc1ccc(OC[C@H](O)C[N@H+](CCO)C[C@H](O)Cn2ccc3ccccc32)cc1 ZINC000004248029 568953465 /nfs/dbraw/zinc/95/34/65/568953465.db2.gz RDLCNKMHHWWUDK-VQTJNVASSA-N 1 0 414.502 1.745 50 0 HDAARO COc1ccccc1N(C[C@@H](O)C[NH2+]C(C)(C)CO)S(=O)(=O)c1ccccc1 ZINC000004275643 568958017 /nfs/dbraw/zinc/95/80/17/568958017.db2.gz OSRAILHYUUILME-INIZCTEOSA-N 1 0 408.520 1.612 50 0 HDAARO CCCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1 ZINC000004316543 568962374 /nfs/dbraw/zinc/96/23/74/568962374.db2.gz ACXFRZMKGWSJBT-UHFFFAOYSA-N 1 0 424.549 1.978 50 0 HDAARO CCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)CC1 ZINC000004316533 568962399 /nfs/dbraw/zinc/96/23/99/568962399.db2.gz QFAUKVNHBHQCQF-UHFFFAOYSA-N 1 0 416.913 1.657 50 0 HDAARO NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000007977903 568963246 /nfs/dbraw/zinc/96/32/46/568963246.db2.gz AHFRTVMDKUKBLO-UHFFFAOYSA-N 1 0 415.559 1.947 50 0 HDAARO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1cn(-c2ccccc2)nn1 ZINC000670467202 568973042 /nfs/dbraw/zinc/97/30/42/568973042.db2.gz LHAOJERQCWLALQ-NBTXJNEHSA-N 1 0 414.513 1.565 50 0 HDAARO Cn1cnc2cc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)C[N@H+](C4)CC5)ccc21 ZINC000670470032 568984658 /nfs/dbraw/zinc/98/46/58/568984658.db2.gz HLNAMISISNMZRQ-NBTXJNEHSA-N 1 0 401.514 1.871 50 0 HDAARO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CSC3=[NH+]CCN3)cc2)C1 ZINC000012821306 569005613 /nfs/dbraw/zinc/00/56/13/569005613.db2.gz YHZSBDKXBJBIJH-ZIAGYGMSSA-N 1 0 410.565 1.984 50 0 HDAARO CCc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2)cc1 ZINC000015864187 569016462 /nfs/dbraw/zinc/01/64/62/569016462.db2.gz MBQIZCIYBLFTHM-UHFFFAOYSA-N 1 0 401.532 1.872 50 0 HDAARO CC[NH+](CC)CCNC(=O)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000035562487 569045164 /nfs/dbraw/zinc/04/51/64/569045164.db2.gz NRCRZUNVOAZYCO-UHFFFAOYSA-N 1 0 400.888 1.769 50 0 HDAARO NC(=O)CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000245245180 569055402 /nfs/dbraw/zinc/05/54/02/569055402.db2.gz BGFHNBDEZXDKTG-FDFFUELDSA-N 1 0 422.416 1.016 50 0 HDAARO CCc1ccc(CN2CCc3c(C(=O)NC[C@H]4C[NH2+]CCO4)csc3C2)nc1 ZINC000426445192 569073068 /nfs/dbraw/zinc/07/30/68/569073068.db2.gz YSQLOLCFCBSMMR-QGZVFWFLSA-N 1 0 400.548 1.982 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035991559 569074681 /nfs/dbraw/zinc/07/46/81/569074681.db2.gz ZLOSXVKYOXUZNZ-LJQANCHMSA-N 1 0 404.486 1.977 50 0 HDAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O ZINC000006798602 569126535 /nfs/dbraw/zinc/12/65/35/569126535.db2.gz VGBCORLKNCGADY-CQSZACIVSA-N 1 0 400.508 1.610 50 0 HDAARO COC(=O)c1ccc([C@H](c2c(N)n(CC(C)C)c(=O)[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000006880690 569167614 /nfs/dbraw/zinc/16/76/14/569167614.db2.gz PFCXWHDDZZRXJF-QGZVFWFLSA-N 1 0 400.479 1.747 50 0 HDAARO CCC(=O)N1CCc2cc(N3C[C@H](C(=O)N4CC[NH+](C(C)C)CC4)CC3=O)ccc21 ZINC000065195438 569194224 /nfs/dbraw/zinc/19/42/24/569194224.db2.gz KEBTUJKREIRTLU-GOSISDBHSA-N 1 0 412.534 1.891 50 0 HDAARO CCCC[NH+]1CCN(C(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)CC1 ZINC000065226751 569200057 /nfs/dbraw/zinc/20/00/57/569200057.db2.gz ZGUUPRUOJMVFLF-UHFFFAOYSA-N 1 0 416.570 1.474 50 0 HDAARO Cc1cc(C)c2c(n1)nc(C(=O)N1CCC[N@@H+](C)CC1)nc2N1CCSCC1 ZINC000065232063 569201298 /nfs/dbraw/zinc/20/12/98/569201298.db2.gz BZFFWQWHEAHKQB-UHFFFAOYSA-N 1 0 400.552 1.973 50 0 HDAARO COc1cccc(Cn2c3cc(C(=O)NCC[NH+](C)C)ccc3n3nccc3c2=O)c1 ZINC000065270937 569213441 /nfs/dbraw/zinc/21/34/41/569213441.db2.gz CZBHMHDVCOHUAV-UHFFFAOYSA-N 1 0 419.485 1.998 50 0 HDAARO COc1ccc(Cn2c3cc(C(=O)NCC[NH+](C)C)ccc3n3nccc3c2=O)cc1 ZINC000065270988 569213565 /nfs/dbraw/zinc/21/35/65/569213565.db2.gz LZUISCZLGOTSDT-UHFFFAOYSA-N 1 0 419.485 1.998 50 0 HDAARO O=C(CN1c2ccc(F)cc2C(=O)N2CCC[C@H]2C1=O)NCCC[NH+]1CCCC1 ZINC000065306874 569220781 /nfs/dbraw/zinc/22/07/81/569220781.db2.gz WVAMRJYAWIDDAR-SFHVURJKSA-N 1 0 402.470 1.379 50 0 HDAARO O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000089834874 569266723 /nfs/dbraw/zinc/26/67/23/569266723.db2.gz ZGLWIVNOBGHCMG-RBUKOAKNSA-N 1 0 406.486 1.396 50 0 HDAARO COc1ccc(CN2C[C@H](C(=O)N(C)CC3CC[NH+](C[C@@H](C)O)CC3)CC2=O)cc1 ZINC000089895906 569267985 /nfs/dbraw/zinc/26/79/85/569267985.db2.gz IUALEDUAIQJFAZ-YLJYHZDGSA-N 1 0 417.550 1.595 50 0 HDAARO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000252452343 569286362 /nfs/dbraw/zinc/28/63/62/569286362.db2.gz DCCVNCSKNWXBNJ-WOJBJXKFSA-N 1 0 416.501 1.618 50 0 HDAARO CSC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(N)=O)C(=O)N2CCc1ccccc1 ZINC000014743358 569291999 /nfs/dbraw/zinc/29/19/99/569291999.db2.gz CDGIZOSMWGLYNB-INIZCTEOSA-N 1 0 418.563 1.565 50 0 HDAARO CS[C@@H]1CN(S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000253370554 569364679 /nfs/dbraw/zinc/36/46/79/569364679.db2.gz SKHGGXJYVIMRPW-QZTJIDSGSA-N 1 0 412.577 1.961 50 0 HDAARO C[NH+](C)CCn1cnc2cc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)ccc21 ZINC000253412690 569366778 /nfs/dbraw/zinc/36/67/78/569366778.db2.gz RSTYGXDUMYJSLV-SFHVURJKSA-N 1 0 420.473 1.677 50 0 biogenic HDAARO C/C=C/Cn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3CC[NH+]2CCCCC2)n(C)c1=O ZINC000008706260 569390106 /nfs/dbraw/zinc/39/01/06/569390106.db2.gz QHJIMPXUBKMLHR-JFDDCEBESA-N 1 0 413.526 1.716 50 0 HDAARO CN(Cc1cnn(C)c1)C(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000328590070 569414874 /nfs/dbraw/zinc/41/48/74/569414874.db2.gz HUBLWVZJGKPDBG-UHFFFAOYSA-N 1 0 403.914 1.813 50 0 HDAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@@H]1c1ccc(F)c(F)c1 ZINC000067286121 571064510 /nfs/dbraw/zinc/06/45/10/571064510.db2.gz QHEJDAMIQQGUJP-GOSISDBHSA-N 1 0 408.449 1.773 50 0 HDAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000009287521 571245264 /nfs/dbraw/zinc/24/52/64/571245264.db2.gz UAXCLENBGDFFFJ-UHFFFAOYSA-N 1 0 408.572 1.729 50 0 HDAARO O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000009385574 571254088 /nfs/dbraw/zinc/25/40/88/571254088.db2.gz FQSMHTCTNCFRCE-HXUWFJFHSA-N 1 0 420.513 1.934 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1nc(C)n2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000009727926 571282662 /nfs/dbraw/zinc/28/26/62/571282662.db2.gz VWTXLLUPKHDCNB-KRWDZBQOSA-N 1 0 424.505 1.476 50 0 HDAARO Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccccc2C)c(=O)n3C)n1CC[NH+](C)C ZINC000010233661 571297754 /nfs/dbraw/zinc/29/77/54/571297754.db2.gz RSXUBNNPVHUYEI-UHFFFAOYSA-N 1 0 408.506 1.685 50 0 HDAARO O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCCC[NH+]1Cc2ccccc2C1 ZINC000012437895 1073961317 /nfs/dbraw/zinc/96/13/17/1073961317.db2.gz NDPPZUKBNUWBNC-JOCHJYFZSA-N 1 0 406.530 1.899 50 0 HDAARO CN(CC(=O)Nc1ccccc1N1CC[NH+](C)CC1)S(=O)(=O)c1cccs1 ZINC000007989233 132326660 /nfs/dbraw/zinc/32/66/60/132326660.db2.gz DYOSTRKUAQUQGO-UHFFFAOYSA-N 1 0 408.549 1.759 50 0 HDAARO COc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1S(=O)(=O)NC1CC1 ZINC000008122671 132327448 /nfs/dbraw/zinc/32/74/48/132327448.db2.gz OUPYKWZIMUKLSJ-UHFFFAOYSA-N 1 0 416.503 1.493 50 0 HDAARO CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCC[NH+](C)C)CC2)c1C ZINC000045973881 521377101 /nfs/dbraw/zinc/37/71/01/521377101.db2.gz OTZFKMHMXJBKSZ-UHFFFAOYSA-N 1 0 406.527 1.728 50 0 HDAARO COCCN(CCOC)S(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000225829009 523722122 /nfs/dbraw/zinc/72/21/22/523722122.db2.gz QHPSCFJWSVSKDJ-SFHVURJKSA-N 1 0 423.620 1.019 50 0 HDAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1ccncc1)CC2 ZINC000020449134 523802640 /nfs/dbraw/zinc/80/26/40/523802640.db2.gz ULQNJWJYVGFMAH-UHFFFAOYSA-N 1 0 409.490 1.922 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]21c2ccccc2NC1=O ZINC000020548628 523808262 /nfs/dbraw/zinc/80/82/62/523808262.db2.gz VEGZLQMJTUOQDI-CROMWVBPSA-N 1 0 405.454 1.296 50 0 HDAARO CCc1ccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2cccs2)cc1 ZINC000045974802 523921832 /nfs/dbraw/zinc/92/18/32/523921832.db2.gz HEVQMKJOWJTPBE-UHFFFAOYSA-N 1 0 407.561 1.933 50 0 HDAARO Cc1ccc2c(c1)C(=O)N(CCCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C2=O ZINC000032269586 526140109 /nfs/dbraw/zinc/14/01/09/526140109.db2.gz LGBMLXOOYKFEGB-QGZVFWFLSA-N 1 0 401.507 1.844 50 0 HDAARO Cn1cc(/C=C/C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(=O)n(C)c1=O ZINC000032905793 527143582 /nfs/dbraw/zinc/14/35/82/527143582.db2.gz WVEWXIWVQJCOHG-VMPITWQZSA-N 1 0 416.909 1.531 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@@H]1c1ccc(C)cc1 ZINC000009419403 535502176 /nfs/dbraw/zinc/50/21/76/535502176.db2.gz QKHUJAWVAXBQMN-VQTJNVASSA-N 1 0 421.501 1.918 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000004177132 557525157 /nfs/dbraw/zinc/52/51/57/557525157.db2.gz UCQRUUKDYOFXLL-QGZVFWFLSA-N 1 0 402.470 1.263 50 0 HDAARO O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004591404 557570291 /nfs/dbraw/zinc/57/02/91/557570291.db2.gz DJDKKUDJIHZURQ-UHFFFAOYSA-N 1 0 406.486 1.861 50 0 HDAARO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000004679915 557580335 /nfs/dbraw/zinc/58/03/35/557580335.db2.gz PQMKEUWLXYVFCS-INIZCTEOSA-N 1 0 407.879 1.452 50 0 HDAARO OCC(CO)(CO)[NH2+]C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000005616498 557665465 /nfs/dbraw/zinc/66/54/65/557665465.db2.gz GETQKLUOZMYHGE-AWEZNQCLSA-N 1 0 413.301 1.768 50 0 HDAARO COCCn1c(C)cc(O)c([C@@H](c2ccc(OC)cc2)N2CC[NH+](C)CC2)c1=O ZINC000022697573 557784289 /nfs/dbraw/zinc/78/42/89/557784289.db2.gz JTAUAUDDGXVNJB-OAQYLSRUSA-N 1 0 401.507 1.854 50 0 HDAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCc1ccc(F)cc1 ZINC000008471576 557791942 /nfs/dbraw/zinc/79/19/42/557791942.db2.gz QSZNCZANZOWAGG-UHFFFAOYSA-N 1 0 415.425 1.898 50 0 HDAARO COc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022778592 557821460 /nfs/dbraw/zinc/82/14/60/557821460.db2.gz PCQAJEFGMJEFER-XMSQKQJNSA-N 1 0 424.545 1.977 50 0 HDAARO COc1ccc([C@@H](CNC(=O)C(=O)NCCc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022795339 557822629 /nfs/dbraw/zinc/82/26/29/557822629.db2.gz IJSRIKUOOZQZSI-JOCHJYFZSA-N 1 0 424.545 1.459 50 0 HDAARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022795976 557822899 /nfs/dbraw/zinc/82/28/99/557822899.db2.gz FOWZVWNSBRYIOL-FQEVSTJZSA-N 1 0 414.481 1.878 50 0 HDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccc(F)cc2)CC1 ZINC000022795864 557822914 /nfs/dbraw/zinc/82/29/14/557822914.db2.gz VUKLUPQYQGPWGA-OAQYLSRUSA-N 1 0 412.509 1.589 50 0 HDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)NCc2ccccc2)c2ccc3c(c2)OCO3)CC1 ZINC000022797148 557823364 /nfs/dbraw/zinc/82/33/64/557823364.db2.gz PDLOUHAXBUACFD-LJQANCHMSA-N 1 0 424.501 1.136 50 0 HDAARO COc1ccccc1CN1CCN(C(=O)C[C@@H]2C(=O)NCC[N@@H+]2C2CCCC2)CC1 ZINC000011717520 558271753 /nfs/dbraw/zinc/27/17/53/558271753.db2.gz OGVJHOQNPVFUCE-HXUWFJFHSA-N 1 0 414.550 1.473 50 0 HDAARO CN(CCC[NH+]1CCCCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F ZINC000011768638 558274077 /nfs/dbraw/zinc/27/40/77/558274077.db2.gz XKSLXFMUGINORL-IBGZPJMESA-N 1 0 422.520 1.990 50 0 HDAARO COc1cccc(C[NH2+]CCc2cccnc2)c1OC[C@@H](O)CN1CCOCC1 ZINC000011821266 558284514 /nfs/dbraw/zinc/28/45/14/558284514.db2.gz ABHQXNWHOWEZGU-FQEVSTJZSA-N 1 0 401.507 1.494 50 0 HDAARO CCOC(=O)C[C@H]1COCCN1C(=O)c1ccc(OC2CC[NH+](C)CC2)c(OC)c1 ZINC000012027450 558310401 /nfs/dbraw/zinc/31/04/01/558310401.db2.gz JNHPQGJZRVPEMW-KRWDZBQOSA-N 1 0 420.506 1.962 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1 ZINC000012201444 558351473 /nfs/dbraw/zinc/35/14/73/558351473.db2.gz UXHSYZXZQRRUII-INIZCTEOSA-N 1 0 409.552 1.704 50 0 HDAARO Nc1ncc(CN2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 ZINC000020325179 558355647 /nfs/dbraw/zinc/35/56/47/558355647.db2.gz BQABYQVYJGMYCY-IBGZPJMESA-N 1 0 410.522 1.570 50 0 HDAARO Cc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)s1 ZINC000020453342 558367463 /nfs/dbraw/zinc/36/74/63/558367463.db2.gz ZXMQXNQFFZQYHK-UHFFFAOYSA-N 1 0 403.552 1.792 50 0 HDAARO O[C@H]1CCC[N@@H+](C2CCN(c3nc4nonc4nc3N3CCCCCC3)CC2)C1 ZINC000020782843 558413215 /nfs/dbraw/zinc/41/32/15/558413215.db2.gz UDCKVLPAYGIQGM-INIZCTEOSA-N 1 0 401.515 1.819 50 0 HDAARO CC(C)N(C)Cc1nnnn1CC(=O)NC[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012596191 558437651 /nfs/dbraw/zinc/43/76/51/558437651.db2.gz ZIBIZIJIPWTYHQ-HXUWFJFHSA-N 1 0 413.570 1.584 50 0 HDAARO COc1cc(CN2CCNC(=O)C2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012713674 558454124 /nfs/dbraw/zinc/45/41/24/558454124.db2.gz CEEWBRFSBYLEHJ-LJQANCHMSA-N 1 0 405.539 1.633 50 0 HDAARO O=C(NCCC[NH+]1CCCCC1)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000004374542 558475282 /nfs/dbraw/zinc/47/52/82/558475282.db2.gz OOCGHQAYOKLPEX-INIZCTEOSA-N 1 0 402.495 1.738 50 0 HDAARO CCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000012987559 558495882 /nfs/dbraw/zinc/49/58/82/558495882.db2.gz BRXJYOYOXJJSTE-SFHVURJKSA-N 1 0 411.568 1.804 50 0 HDAARO CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](CC)CC2)=[NH+][C@@H]1c1ccc(OC)cc1OC ZINC000013550771 558538984 /nfs/dbraw/zinc/53/89/84/558538984.db2.gz IOYDTSWBMBUVDA-QZTJIDSGSA-N 1 0 418.494 1.048 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000013572794 558542644 /nfs/dbraw/zinc/54/26/44/558542644.db2.gz IISFTMMHVZGFKS-VYGYDYRJSA-N 1 0 423.922 1.460 50 0 HDAARO Cc1cc(=O)c(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)nn1-c1ccccc1F ZINC000023257244 558546351 /nfs/dbraw/zinc/54/63/51/558546351.db2.gz BILHNYJPFMWFGP-UHFFFAOYSA-N 1 0 413.497 1.534 50 0 HDAARO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3Sc4ccccc4NC3=O)cn2)CC1 ZINC000023318694 558549016 /nfs/dbraw/zinc/54/90/16/558549016.db2.gz QKSGTESHCVMXGQ-SFHVURJKSA-N 1 0 411.531 1.953 50 0 HDAARO CC(=O)NCCC(=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023374835 558554602 /nfs/dbraw/zinc/55/46/02/558554602.db2.gz HJVKEZGLCXOIPA-LJQANCHMSA-N 1 0 416.522 1.050 50 0 HDAARO Cc1nc2ccc(S(=O)(=O)NCC(=O)NCC[N@H+]3CCCC[C@H]3C)cc2s1 ZINC000004435633 558559243 /nfs/dbraw/zinc/55/92/43/558559243.db2.gz UIIZPYOEMZQREE-CYBMUJFWSA-N 1 0 410.565 1.874 50 0 HDAARO C[C@H](CNC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1)[N@@H+]1CCc2ccccc2C1 ZINC000024624419 558605602 /nfs/dbraw/zinc/60/56/02/558605602.db2.gz SWZALRGSXPRCME-SJORKVTESA-N 1 0 405.502 1.888 50 0 HDAARO C[NH+](C)C1(CNC(=O)[C@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)CCCCC1 ZINC000014157416 558625920 /nfs/dbraw/zinc/62/59/20/558625920.db2.gz QTMZIOSSLONQKO-QGZVFWFLSA-N 1 0 418.563 1.981 50 0 HDAARO COc1ccc([C@@H](CNC(=O)c2cnc3n(c2=O)CCS3)[NH+]2CCCC2)cc1 ZINC000014254200 558651020 /nfs/dbraw/zinc/65/10/20/558651020.db2.gz TZLDMMBVZKRJRU-QGZVFWFLSA-N 1 0 400.504 1.925 50 0 HDAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cccnc1)CC2 ZINC000014745428 558668898 /nfs/dbraw/zinc/66/88/98/558668898.db2.gz JXPGLEJIMMCVKB-UHFFFAOYSA-N 1 0 409.490 1.922 50 0 HDAARO O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H]([NH2+]Cc3ccc(F)c(F)c3)C[C@@H]12 ZINC000014748680 558669911 /nfs/dbraw/zinc/66/99/11/558669911.db2.gz MPZKFNFZFFHKRT-VDGAXYAQSA-N 1 0 415.440 1.739 50 0 HDAARO CC(C)c1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CCCC[NH3+])C(=O)N3C2)cc1 ZINC000014749892 558670541 /nfs/dbraw/zinc/67/05/41/558670541.db2.gz SXGVNQJRQCVIMB-BZSNNMDCSA-N 1 0 401.511 1.528 50 0 HDAARO CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000072309461 558773553 /nfs/dbraw/zinc/77/35/53/558773553.db2.gz MIARQCUZQOEHSK-MRXNPFEDSA-N 1 0 408.568 1.635 50 0 HDAARO COc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033032982 558856801 /nfs/dbraw/zinc/85/68/01/558856801.db2.gz FJIOILXARYOGHX-UHFFFAOYSA-N 1 0 418.519 1.607 50 0 HDAARO CS(=O)(=O)Nc1cc(C(=O)NCc2ccccc2F)ccc1N1CC[NH2+]CC1 ZINC000033034389 558858456 /nfs/dbraw/zinc/85/84/56/558858456.db2.gz UCECVZHZYCKDCW-UHFFFAOYSA-N 1 0 406.483 1.537 50 0 HDAARO O=C(Cc1cccnc1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071639426 558906194 /nfs/dbraw/zinc/90/61/94/558906194.db2.gz MGSUCTFTOLEQSV-LJQANCHMSA-N 1 0 400.523 1.186 50 0 HDAARO CCC(CO)(CO)NC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071707989 558907231 /nfs/dbraw/zinc/90/72/31/558907231.db2.gz IYLGZPQEUCOFGC-IBGZPJMESA-N 1 0 404.555 1.008 50 0 HDAARO Cc1cccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071747060 558908654 /nfs/dbraw/zinc/90/86/54/558908654.db2.gz QAORFJRYRKBPCG-GOSISDBHSA-N 1 0 400.523 1.565 50 0 HDAARO CCc1nc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)ncc1C ZINC000071750677 558909083 /nfs/dbraw/zinc/90/90/83/558909083.db2.gz OPDDPMAWSYMCPS-SFHVURJKSA-N 1 0 401.555 1.887 50 0 HDAARO O=C(c1cnn2cccnc12)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071759130 558909870 /nfs/dbraw/zinc/90/98/70/558909870.db2.gz OOUKNFWJUHXDTM-KRWDZBQOSA-N 1 0 410.522 1.668 50 0 HDAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000065361788 558972474 /nfs/dbraw/zinc/97/24/74/558972474.db2.gz ULXHTEHURYMBSN-ROUUACIJSA-N 1 0 423.579 1.805 50 0 HDAARO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H](C)C[NH+]3CCCC3)C2)cc1 ZINC000072437102 558980468 /nfs/dbraw/zinc/98/04/68/558980468.db2.gz PFCKZGUAMLSVOT-QZTJIDSGSA-N 1 0 423.579 1.944 50 0 HDAARO CC[NH+]1CCN(CCN2CC3(CCN(C(=O)c4ccccn4)CC3)OC2=O)CC1 ZINC000077320882 559001328 /nfs/dbraw/zinc/00/13/28/559001328.db2.gz VOYGLUGJCBGENO-UHFFFAOYSA-N 1 0 401.511 1.146 50 0 HDAARO C[NH+](C)[C@H]1CCN(CCCN2CC3(CCN(C(=O)c4ccccn4)CC3)OC2=O)C1 ZINC000077406918 559004074 /nfs/dbraw/zinc/00/40/74/559004074.db2.gz SMYXMOUSSFOLKC-SFHVURJKSA-N 1 0 415.538 1.535 50 0 HDAARO CC(C)OCC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@H]([NH+](C)C)C3)cc2C1 ZINC000077504973 559007546 /nfs/dbraw/zinc/00/75/46/559007546.db2.gz WUMPPOOXOSVTTO-SFHVURJKSA-N 1 0 409.552 1.321 50 0 HDAARO COCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000023127352 559015763 /nfs/dbraw/zinc/01/57/63/559015763.db2.gz KQCVIGQQAJPVGO-UHFFFAOYSA-N 1 0 403.401 1.998 50 0 HDAARO Cc1ccc(N(CC(=O)NCC[N@H+](C)Cc2ccccc2)S(=O)(=O)N(C)C)cc1 ZINC000033269469 559032260 /nfs/dbraw/zinc/03/22/60/559032260.db2.gz HIRPACQDJCMUJV-UHFFFAOYSA-N 1 0 418.563 1.856 50 0 HDAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)[nH]n1 ZINC000082087608 559036769 /nfs/dbraw/zinc/03/67/69/559036769.db2.gz YSIBXBIYIVCRQW-QGZVFWFLSA-N 1 0 410.522 1.746 50 0 HDAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC000082121660 559039540 /nfs/dbraw/zinc/03/95/40/559039540.db2.gz ALCKLVCREWILDS-GOSISDBHSA-N 1 0 410.522 1.480 50 0 HDAARO CCS(=O)(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082137300 559040332 /nfs/dbraw/zinc/04/03/32/559040332.db2.gz YJKGAAGPGXZEDH-IBGZPJMESA-N 1 0 407.580 1.871 50 0 HDAARO CCc1cc(N2CCC([NH+]3CCN(CC(=O)N4CCCC4)CC3)CC2)nc(C)n1 ZINC000096130415 559095482 /nfs/dbraw/zinc/09/54/82/559095482.db2.gz ZBNVDLQBDQIJLZ-UHFFFAOYSA-N 1 0 400.571 1.556 50 0 HDAARO O=C(CN1CCN(c2ccccc2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023641481 559178541 /nfs/dbraw/zinc/17/85/41/559178541.db2.gz HAKWNWXKYYKVFR-UHFFFAOYSA-N 1 0 400.567 1.960 50 0 HDAARO CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000408526074 559215333 /nfs/dbraw/zinc/21/53/33/559215333.db2.gz WXVFZPRVZOXMAW-HIFRSBDPSA-N 1 0 418.357 1.702 50 0 HDAARO COc1ccc(OC)c(N2C(=O)[C@H]3[C@H](C(N)=O)N4C=Cc5ccccc5[C@H]4[C@H]3C2=O)c1 ZINC000247912555 559248931 /nfs/dbraw/zinc/24/89/31/559248931.db2.gz KWNKGIMQBJAHEY-ZGXWSNOMSA-N 1 0 419.437 1.705 50 0 HDAARO CC(C)CCn1c2c(nc1N1CC[NH+](CCc3ccccc3)CC1)n(C)c(=O)[nH]c2=O ZINC000005147892 559252792 /nfs/dbraw/zinc/25/27/92/559252792.db2.gz WKNBGHXZXGJYJL-UHFFFAOYSA-N 1 0 424.549 1.834 50 0 HDAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000005149036 559253168 /nfs/dbraw/zinc/25/31/68/559253168.db2.gz QJGGHCHZDNVFKJ-OAHLLOKOSA-N 1 0 406.556 1.524 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C)[NH2+][C@@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O ZINC000247928552 559255174 /nfs/dbraw/zinc/25/51/74/559255174.db2.gz BQBWRMQNBHJNQQ-LAYFVTQDSA-N 1 0 406.280 1.990 50 0 HDAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000011998130 559270046 /nfs/dbraw/zinc/27/00/46/559270046.db2.gz WKGFXKDQVHWSLB-QGZVFWFLSA-N 1 0 417.487 1.913 50 0 HDAARO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000252477495 559277319 /nfs/dbraw/zinc/27/73/19/559277319.db2.gz PIUQXFQOOQYOPA-MSOLQXFVSA-N 1 0 422.551 1.798 50 0 HDAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1cnc2c1ncnc2OC ZINC000526052519 560640150 /nfs/dbraw/zinc/64/01/50/560640150.db2.gz LESKQOSFSJBVIL-DLBZAZTESA-N 1 0 416.526 1.574 50 0 HDAARO CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000014740476 560756782 /nfs/dbraw/zinc/75/67/82/560756782.db2.gz GYQPMQBTCPTBQG-UHFFFAOYSA-N 1 0 401.492 1.400 50 0 HDAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000048332431 568440150 /nfs/dbraw/zinc/44/01/50/568440150.db2.gz QVWCWOOOEWORHD-IAGOWNOFSA-N 1 0 422.533 1.924 50 0 HDAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)Cn3cnc4c(cnn4C)c3=O)cc2)C1 ZINC000048345211 568440911 /nfs/dbraw/zinc/44/09/11/568440911.db2.gz ILNKCOLHAFOEJX-IRXDYDNUSA-N 1 0 422.533 1.924 50 0 HDAARO O=C1COc2ccc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2N1 ZINC000020491512 568614766 /nfs/dbraw/zinc/61/47/66/568614766.db2.gz SNOOIZQEDAMKIV-UHFFFAOYSA-N 1 0 401.488 1.960 50 0 HDAARO O=C(Cn1ncc2ccsc2c1=O)NCCCN1CC[NH+](C2CCCCC2)CC1 ZINC000020860146 568646031 /nfs/dbraw/zinc/64/60/31/568646031.db2.gz IRMLAXUTLRCKCN-UHFFFAOYSA-N 1 0 417.579 1.915 50 0 HDAARO COCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C)nc2sc(C)cn2c1=O ZINC000020922164 568651100 /nfs/dbraw/zinc/65/11/00/568651100.db2.gz MOLBKZHDRVIDLX-UHFFFAOYSA-N 1 0 414.553 1.104 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)CC1 ZINC000021019297 568658109 /nfs/dbraw/zinc/65/81/09/568658109.db2.gz QJVSDILGYFTLBW-UHFFFAOYSA-N 1 0 404.536 1.597 50 0 HDAARO CN(CC(=O)N(CC[NH+](C)C)Cc1ccco1)c1nnc(N2CCCC2=O)s1 ZINC000021026153 568658710 /nfs/dbraw/zinc/65/87/10/568658710.db2.gz MXOAEBMDYSEFFR-UHFFFAOYSA-N 1 0 406.512 1.285 50 0 HDAARO CCCc1cc(=O)n2nc(N3CCC(C(=O)NCC[NH+]4CCCC4)CC3)sc2n1 ZINC000021166069 568674909 /nfs/dbraw/zinc/67/49/09/568674909.db2.gz AUWUGNQXVPOPIJ-UHFFFAOYSA-N 1 0 418.567 1.532 50 0 HDAARO C[NH+]1CCN(CCCNC(=O)c2cccn2-c2nnc(N3CCCCC3)s2)CC1 ZINC000021535447 568711899 /nfs/dbraw/zinc/71/18/99/568711899.db2.gz OALXJESYTPLVCY-UHFFFAOYSA-N 1 0 417.583 1.686 50 0 HDAARO CCn1ccnc1CNCc1ccc(OC[C@H](O)C[NH+]2CCSCC2)c(OC)c1 ZINC000012446246 568732800 /nfs/dbraw/zinc/73/28/00/568732800.db2.gz BEUCLWVSBYHNET-GOSISDBHSA-N 1 0 420.579 1.990 50 0 HDAARO CC[NH+](CC)CCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000002958929 568830082 /nfs/dbraw/zinc/83/00/82/568830082.db2.gz LLRHDZOVWDBASW-HZPDHXFCSA-N 1 0 410.565 1.439 50 0 HDAARO CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CC[NH+](C)CC1 ZINC000003242585 568847995 /nfs/dbraw/zinc/84/79/95/568847995.db2.gz FAIKZDCJHVYDHW-UHFFFAOYSA-N 1 0 415.943 1.527 50 0 HDAARO C[NH+](C)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000003248981 568867555 /nfs/dbraw/zinc/86/75/55/568867555.db2.gz PUWCYKGUKJSAMB-UHFFFAOYSA-N 1 0 410.323 1.306 50 0 HDAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1cc(C2CC2)n[nH]1 ZINC000299784605 568875298 /nfs/dbraw/zinc/87/52/98/568875298.db2.gz PRJLBZQCDFJSOU-SFHVURJKSA-N 1 0 415.538 1.366 50 0 HDAARO CN(C)c1cc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)ncn1 ZINC000299790944 568875777 /nfs/dbraw/zinc/87/57/77/568875777.db2.gz CFEXDJWFCVCREZ-SFHVURJKSA-N 1 0 402.543 1.304 50 0 HDAARO O=C(Cc1ccncc1)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299790009 568875851 /nfs/dbraw/zinc/87/58/51/568875851.db2.gz AFQUTORKNDNMAA-HXUWFJFHSA-N 1 0 400.523 1.090 50 0 HDAARO C[C@@H]([NH2+]CC(=O)NC(=O)NCCC1=CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000058169407 568895810 /nfs/dbraw/zinc/89/58/10/568895810.db2.gz GCBSHWJTCAQGCU-CQSZACIVSA-N 1 0 408.524 1.701 50 0 HDAARO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000670454580 568932204 /nfs/dbraw/zinc/93/22/04/568932204.db2.gz IMVBXOMXOVUNMF-CYBMUJFWSA-N 1 0 413.503 1.798 50 0 HDAARO COc1ccc(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)c(OC)n1 ZINC000670457996 568943306 /nfs/dbraw/zinc/94/33/06/568943306.db2.gz KFBRSMDGIIQPAJ-VRVFXRSRSA-N 1 0 408.502 1.396 50 0 HDAARO COc1ccccc1N(C[C@H](O)C[NH2+]C(C)(C)CO)S(=O)(=O)c1ccccc1 ZINC000004275644 568957991 /nfs/dbraw/zinc/95/79/91/568957991.db2.gz OSRAILHYUUILME-MRXNPFEDSA-N 1 0 408.520 1.612 50 0 HDAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)cc1C ZINC000015671234 568961662 /nfs/dbraw/zinc/96/16/62/568961662.db2.gz UHNLFDNGESJARN-UHFFFAOYSA-N 1 0 405.524 1.679 50 0 HDAARO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1cc(-c2ccccn2)n[nH]1 ZINC000670465076 568968624 /nfs/dbraw/zinc/96/86/24/568968624.db2.gz YOJMRBSYEKLOBQ-NZAVSEOKSA-N 1 0 414.513 1.769 50 0 HDAARO C[C@H]([NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc2c(c1)CCCC2 ZINC000012854029 569010830 /nfs/dbraw/zinc/01/08/30/569010830.db2.gz WNTPZYKQCVKEAJ-LAUBAEHRSA-N 1 0 419.591 1.547 50 0 HDAARO Cn1c(CSc2nc(N)cc(N)[nH+]2)nnc1SCC(=O)NC1CCCCC1 ZINC000006147854 569014769 /nfs/dbraw/zinc/01/47/69/569014769.db2.gz KREIQFUFPQTNNW-UHFFFAOYSA-N 1 0 408.557 1.603 50 0 HDAARO COc1ccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1OC ZINC000015864117 569016382 /nfs/dbraw/zinc/01/63/82/569016382.db2.gz CEUWBJPPEJJZOJ-UHFFFAOYSA-N 1 0 415.465 1.917 50 0 HDAARO C[C@H](CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccs1)c1ccccc1 ZINC000015864258 569016485 /nfs/dbraw/zinc/01/64/85/569016485.db2.gz YXXSDSJKXPVSNQ-MRXNPFEDSA-N 1 0 407.561 1.974 50 0 HDAARO COc1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC[NH+](C)C)c2=O)cc1 ZINC000000638470 569032900 /nfs/dbraw/zinc/03/29/00/569032900.db2.gz ULDQCKLGQJGCHD-UHFFFAOYSA-N 1 0 413.474 1.799 50 0 HDAARO Cc1ccc(=O)n(CC(=O)Nc2cc(N3CC[NH+](Cc4ccccc4)CC3)ncn2)n1 ZINC000090592333 569041491 /nfs/dbraw/zinc/04/14/91/569041491.db2.gz XPJLVIOXWNXAKQ-UHFFFAOYSA-N 1 0 419.489 1.303 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)no1 ZINC000035512973 569043247 /nfs/dbraw/zinc/04/32/47/569043247.db2.gz AAKWFPIDDFXPFG-AWEZNQCLSA-N 1 0 407.496 1.201 50 0 HDAARO COc1ccc(-c2cc(C(=O)N[C@@H](C(=O)NCC[NH+](C)C)C(C)C)no2)c(OC)c1 ZINC000035992488 569074799 /nfs/dbraw/zinc/07/47/99/569074799.db2.gz KHGIMWOEYKSNJQ-LJQANCHMSA-N 1 0 418.494 1.791 50 0 HDAARO CCOC(=O)Cn1c(=O)c2c3c(sc2n(CC[NH+](C)C)c1=O)COC(C)(C)C3 ZINC000006662125 569085430 /nfs/dbraw/zinc/08/54/30/569085430.db2.gz KHGRPILELFDJQP-UHFFFAOYSA-N 1 0 409.508 1.201 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)[C@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064776043 569093662 /nfs/dbraw/zinc/09/36/62/569093662.db2.gz FCEQDLMRVFUESH-KRWDZBQOSA-N 1 0 424.549 1.593 50 0 HDAARO CC[C@H](C(=O)NCCCN1CC[NH+](C)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787495 569094214 /nfs/dbraw/zinc/09/42/14/569094214.db2.gz SZVCVXXCSUQHSQ-LJQANCHMSA-N 1 0 424.549 1.593 50 0 HDAARO O=C(c1nc(Cn2cnc3ccccc3c2=O)no1)N1CC[NH+](C2CCCCC2)CC1 ZINC000064867892 569111848 /nfs/dbraw/zinc/11/18/48/569111848.db2.gz IBZZIUBYGAXPHG-UHFFFAOYSA-N 1 0 422.489 1.918 50 0 HDAARO CCCNC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025114 569156251 /nfs/dbraw/zinc/15/62/51/569156251.db2.gz TYHZVMMJBDULPW-UHFFFAOYSA-N 1 0 421.498 1.571 50 0 HDAARO CC1CC[NH+](CCNC(=O)c2nc(CCS(=O)(=O)c3ccccc3)no2)CC1 ZINC000065117244 569180168 /nfs/dbraw/zinc/18/01/68/569180168.db2.gz SSOZPLGCGOFQTG-UHFFFAOYSA-N 1 0 406.508 1.548 50 0 HDAARO CC[NH+](CC)CCCNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1 ZINC000065117609 569180287 /nfs/dbraw/zinc/18/02/87/569180287.db2.gz FVMUUMKYVNARGD-UHFFFAOYSA-N 1 0 424.523 1.556 50 0 HDAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1 ZINC000065226806 569200037 /nfs/dbraw/zinc/20/00/37/569200037.db2.gz PAVSSHQIIYBMRX-SFHVURJKSA-N 1 0 416.570 1.520 50 0 HDAARO COc1ccc(-c2nccn3cc(C(=O)NCCCN4CC[NH+](C)CC4)nc23)cc1 ZINC000065274446 569215151 /nfs/dbraw/zinc/21/51/51/569215151.db2.gz BJBSNPLOWWERPR-UHFFFAOYSA-N 1 0 408.506 1.772 50 0 HDAARO O=C(CN1c2ccc(F)cc2C(=O)N2CCC[C@H]2C1=O)NCC[NH+]1CCCCC1 ZINC000065306878 569220740 /nfs/dbraw/zinc/22/07/40/569220740.db2.gz WHAAMSNXTXJSGH-SFHVURJKSA-N 1 0 402.470 1.379 50 0 HDAARO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCCN1CC[NH+](C2CCCCC2)CC1 ZINC000065321291 569224204 /nfs/dbraw/zinc/22/42/04/569224204.db2.gz XZORZNCNDXXQHI-UHFFFAOYSA-N 1 0 415.538 1.905 50 0 HDAARO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000065549756 569234825 /nfs/dbraw/zinc/23/48/25/569234825.db2.gz WXEUXHUPGQSLOO-QUCCMNQESA-N 1 0 411.506 1.914 50 0 HDAARO O=C(CNC(=O)NCc1ccco1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000089834880 569266763 /nfs/dbraw/zinc/26/67/63/569266763.db2.gz FYBKNGSXCOCAOE-PKOBYXMFSA-N 1 0 400.479 1.078 50 0 HDAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000067287714 571065547 /nfs/dbraw/zinc/06/55/47/571065547.db2.gz NDHXXHHFCLBJHO-HXUWFJFHSA-N 1 0 416.522 1.894 50 0 HDAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCNC(=O)c2ccc3cccnc3n2)CC1 ZINC000245130864 571214927 /nfs/dbraw/zinc/21/49/27/571214927.db2.gz VBRQNHQQSMVCFU-GOSISDBHSA-N 1 0 415.538 1.153 50 0 HDAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000010282021 571299279 /nfs/dbraw/zinc/29/92/79/571299279.db2.gz DGPXYKMARFCXRB-UHFFFAOYSA-N 1 0 414.531 1.786 50 0 HDAARO CN1c2ccccc2[C@]2(C1=O)[C@@H](C(=O)N1CCC3(CC1)OCCO3)C[C@H]1CCC[N@@H+]12 ZINC000057992322 571315444 /nfs/dbraw/zinc/31/54/44/571315444.db2.gz CTDCUICZZISEFT-JTUHZDRVSA-N 1 0 411.502 1.708 50 0 HDAARO CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCC(C)(C)C[NH+](C)C ZINC000012456351 1074025609 /nfs/dbraw/zinc/02/56/09/1074025609.db2.gz PANOHJJGVDGEOT-GOSISDBHSA-N 1 0 404.555 1.480 50 0 HDAARO Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)NCC[NH+](C)C)cc12 ZINC000004879510 132291201 /nfs/dbraw/zinc/29/12/01/132291201.db2.gz POSGEWUKBZICGB-UHFFFAOYSA-N 1 0 413.522 1.776 50 0 HDAARO Cc1cccc(S(=O)(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)c1 ZINC000009620972 132341885 /nfs/dbraw/zinc/34/18/85/132341885.db2.gz OTXRMSWMOCFISZ-UHFFFAOYSA-N 1 0 417.535 1.441 50 0 HDAARO O=C(C[C@H]1C(=O)NCCN1CCc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012055560 132353306 /nfs/dbraw/zinc/35/33/06/132353306.db2.gz DRZLYVPCPNXVMF-NRFANRHFSA-N 1 0 407.518 1.163 50 0 HDAARO CC(C)c1ccc(S(=O)(=O)N(CCN2CCCC2)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974182 519838467 /nfs/dbraw/zinc/83/84/67/519838467.db2.gz FYPQWQWIPIARNL-UHFFFAOYSA-N 1 0 422.595 1.328 50 0 HDAARO CCOC(=O)N1CCN(Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)CC1 ZINC000020540231 520955619 /nfs/dbraw/zinc/95/56/19/520955619.db2.gz AKJQJGOVRVTROE-LJQANCHMSA-N 1 0 423.579 1.749 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)CC2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 ZINC000032974206 521682042 /nfs/dbraw/zinc/68/20/42/521682042.db2.gz PCMUDJQNUOBEQN-UHFFFAOYSA-N 1 0 400.567 1.991 50 0 HDAARO CC[C@@]1(C)NC(=O)N(NC(=O)CN2CC[NH+](Cc3cccc4ccccc43)CC2)C1=O ZINC000022805238 523731064 /nfs/dbraw/zinc/73/10/64/523731064.db2.gz MXEQDECFNGARSK-HSZRJFAPSA-N 1 0 423.517 1.709 50 0 HDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000020485814 523918883 /nfs/dbraw/zinc/91/88/83/523918883.db2.gz KPPMFZSYJYCBTN-SFHVURJKSA-N 1 0 401.898 1.778 50 0 HDAARO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C2CCCC2)cc1OC ZINC000045974233 525010786 /nfs/dbraw/zinc/01/07/86/525010786.db2.gz NTAHOUHTRDUDFS-UHFFFAOYSA-N 1 0 411.524 1.069 50 0 HDAARO COc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCCCC2)cc1 ZINC000045944666 525013710 /nfs/dbraw/zinc/01/37/10/525013710.db2.gz IVSCSSZQCFULKW-UHFFFAOYSA-N 1 0 409.552 1.841 50 0 HDAARO COc1cccc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@H]3C(=O)N(CC[NH+](C)C)C(=O)[C@H]32)c1OC ZINC000248010190 525858624 /nfs/dbraw/zinc/85/86/24/525858624.db2.gz PDGGZHFADDVANG-KDTMQJHFSA-N 1 0 413.474 1.235 50 0 HDAARO NS(=O)(=O)c1ccc(CC[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)cc1 ZINC000032682398 527312109 /nfs/dbraw/zinc/31/21/09/527312109.db2.gz NRVORXLAHSLKTQ-RXVVDRJESA-N 1 0 404.532 1.921 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000009419401 535501915 /nfs/dbraw/zinc/50/19/15/535501915.db2.gz QKHUJAWVAXBQMN-PMACEKPBSA-N 1 0 421.501 1.918 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000009049226 535502706 /nfs/dbraw/zinc/50/27/06/535502706.db2.gz PPHWWJCJQDCCCJ-OALUTQOASA-N 1 0 407.474 1.610 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000009420229 535502723 /nfs/dbraw/zinc/50/27/23/535502723.db2.gz ACZNHZTZLMVFJR-ROUUACIJSA-N 1 0 422.489 1.313 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@@H]2CC(=O)N(Cc3cccs3)C2=O)CC1 ZINC000004196858 557527977 /nfs/dbraw/zinc/52/79/77/557527977.db2.gz ASOIDEQDJQHLPF-MRXNPFEDSA-N 1 0 404.536 1.181 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2=O)CC1 ZINC000004721121 557586477 /nfs/dbraw/zinc/58/64/77/557586477.db2.gz DRZLHMKYKHGEMZ-GOSISDBHSA-N 1 0 416.497 1.259 50 0 HDAARO COc1cc(CN2CCCN(C(C)=O)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011839555 558286087 /nfs/dbraw/zinc/28/60/87/558286087.db2.gz LQJNYUTUNFROEM-FQEVSTJZSA-N 1 0 407.555 1.829 50 0 HDAARO COc1ccccc1N1C(=O)C[C@@H](N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1=O ZINC000019809563 558286389 /nfs/dbraw/zinc/28/63/89/558286389.db2.gz DZKHHEZFBBZFNF-QGZVFWFLSA-N 1 0 414.506 1.133 50 0 HDAARO COC(=O)C1=C(O)NC(N2CCN(Cc3ccccc3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000019818005 558288230 /nfs/dbraw/zinc/28/82/30/558288230.db2.gz NSAZRCMDPIAHQB-WOJBJXKFSA-N 1 0 406.486 1.821 50 0 HDAARO COc1ccc(Cn2c3cc4c(cc3cc(C[NH2+]C[C@H](O)CO)c2=O)CCC4)cc1 ZINC000012126162 558331348 /nfs/dbraw/zinc/33/13/48/558331348.db2.gz WRLXKDCOWZXXDM-NRFANRHFSA-N 1 0 408.498 1.990 50 0 HDAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CN4CCOC4=O)C3)C2)c1OC ZINC000012303189 558372895 /nfs/dbraw/zinc/37/28/95/558372895.db2.gz RYOBVQAPIGONQB-QFIPXVFZSA-N 1 0 417.506 1.971 50 0 HDAARO COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(CN(C)Cc3cc[nH]n3)c2)CC1 ZINC000012306706 558375597 /nfs/dbraw/zinc/37/55/97/558375597.db2.gz FPDCMBCQPANMTE-FQEVSTJZSA-N 1 0 416.522 1.666 50 0 HDAARO CC1(C)CC(NC(=O)C(=O)NCCNC(=O)c2cc3ccccc3[nH]2)CC(C)(C)[NH2+]1 ZINC000020733418 558407190 /nfs/dbraw/zinc/40/71/90/558407190.db2.gz ABIKIVACUGEMDH-UHFFFAOYSA-N 1 0 413.522 1.439 50 0 HDAARO COc1ccc(-c2c3c(cn2CCC[NH+](C)C)n(C)c(=O)n(C)c3=O)cc1OC ZINC000020745813 558410829 /nfs/dbraw/zinc/41/08/29/558410829.db2.gz YMNFTSKKWJZWPV-UHFFFAOYSA-N 1 0 400.479 1.675 50 0 HDAARO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000020819530 558416757 /nfs/dbraw/zinc/41/67/57/558416757.db2.gz JZKGOTHQFGIJLE-UHFFFAOYSA-N 1 0 422.595 1.537 50 0 HDAARO CCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CC[NH+]1CCCCC1)c(=O)n2C ZINC000012516094 558424306 /nfs/dbraw/zinc/42/43/06/558424306.db2.gz VRUFTRVYQMACEP-UHFFFAOYSA-N 1 0 413.526 1.595 50 0 HDAARO COc1cccc(C[N@H+]2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c1OC ZINC000020999419 558427714 /nfs/dbraw/zinc/42/77/14/558427714.db2.gz QPQZLFCNOPRTBQ-UHFFFAOYSA-N 1 0 422.489 1.679 50 0 HDAARO C[N@H+](Cc1ccc2nonc2c1)Cc1cccc(OC[C@@H](O)CN2CCOCC2)c1 ZINC000012578758 558431807 /nfs/dbraw/zinc/43/18/07/558431807.db2.gz QGDWUCLWYLAJDX-IBGZPJMESA-N 1 0 412.490 1.927 50 0 HDAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)[C@@H]1CNC(=O)C1 ZINC000012583584 558433438 /nfs/dbraw/zinc/43/34/38/558433438.db2.gz KMLNZFGWCBNSDC-IBGZPJMESA-N 1 0 403.523 1.518 50 0 HDAARO O=C(N[C@@H](CCn1cncn1)c1ccccc1)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000012588251 558434830 /nfs/dbraw/zinc/43/48/30/558434830.db2.gz KFWOWLHXKBXGFR-IBGZPJMESA-N 1 0 408.510 1.917 50 0 HDAARO COc1ccc(N2C[C@H](NC(=O)NCCC[NH+]3CCCCC3)CC2=O)cc1OC ZINC000004479850 558602339 /nfs/dbraw/zinc/60/23/39/558602339.db2.gz IFMQGQWKJWOTQZ-MRXNPFEDSA-N 1 0 404.511 1.984 50 0 HDAARO COc1ccc(C[N@@H+]2C[C@@H](CN3CCOCC3)C[C@@H](C(=O)NC3CC3)C2)cc1OC ZINC000014733021 558665932 /nfs/dbraw/zinc/66/59/32/558665932.db2.gz OBPMJMYCBCCIHN-RTBURBONSA-N 1 0 417.550 1.753 50 0 HDAARO Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@H]([NH2+]Cc1ccc(F)cc1)C2 ZINC000014747805 558669733 /nfs/dbraw/zinc/66/97/33/558669733.db2.gz OEWYYMWYIODYHO-SFHVURJKSA-N 1 0 415.513 1.268 50 0 HDAARO CCOc1ccccc1C[N@H+]1CCc2nnc([C@H](C)NC(=O)CCOC)n2CC1 ZINC000014884619 558677172 /nfs/dbraw/zinc/67/71/72/558677172.db2.gz FAUPQTBLMUIOGN-INIZCTEOSA-N 1 0 401.511 1.949 50 0 HDAARO CCN1CCN(C(=O)c2ccc(N3CCC([NH2+]Cc4nonc4C)CC3)cc2)CC1 ZINC000014984124 558692595 /nfs/dbraw/zinc/69/25/95/558692595.db2.gz CRRPWYIWVYTBJU-UHFFFAOYSA-N 1 0 412.538 1.914 50 0 HDAARO CC(C)C[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000072278474 558704749 /nfs/dbraw/zinc/70/47/49/558704749.db2.gz FCZYJTRLADRHTN-UHFFFAOYSA-N 1 0 414.597 1.556 50 0 HDAARO COc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)NCCCO)nn3)C2)c(C)c1C ZINC000015070773 558712515 /nfs/dbraw/zinc/71/25/15/558712515.db2.gz ZCHOCPANCFSHGK-GOSISDBHSA-N 1 0 401.511 1.853 50 0 HDAARO CCOC(=O)c1csc(CCNC(=O)c2cn(CC[NH+]3CCCCC3)nn2)n1 ZINC000015078971 558718178 /nfs/dbraw/zinc/71/81/78/558718178.db2.gz OSJVKUXJTAUFIB-UHFFFAOYSA-N 1 0 406.512 1.370 50 0 HDAARO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCN(c3ccc(=O)[nH]n3)CC2)CC1 ZINC000072289199 558721748 /nfs/dbraw/zinc/72/17/48/558721748.db2.gz OZTCKYFSYWWXST-UHFFFAOYSA-N 1 0 411.510 1.678 50 0 HDAARO C[C@H]1CSc2ccc(S(=O)(=O)NCCCN3CC[NH+](C)CC3)cc2NC1=O ZINC000022937289 558723875 /nfs/dbraw/zinc/72/38/75/558723875.db2.gz KVOMHVCITJPZCB-AWEZNQCLSA-N 1 0 412.581 1.283 50 0 HDAARO COC(=O)C1=C(N)Oc2cc(C)n(CC[NH+](C)C)c(=O)c2[C@@H]1c1ccccc1F ZINC000004570641 558742832 /nfs/dbraw/zinc/74/28/32/558742832.db2.gz HLHACDMDERCYAH-INIZCTEOSA-N 1 0 401.438 1.725 50 0 HDAARO CC[NH+](CC)CCSc1ncc(C(=O)OC)cc1S(=O)(=O)N1CCOCC1 ZINC000072301759 558752098 /nfs/dbraw/zinc/75/20/98/558752098.db2.gz WSIKLXFAWDGUKA-UHFFFAOYSA-N 1 0 417.553 1.323 50 0 HDAARO CC1(C)CC(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(Cc5ccco5)C(=O)[C@@H]24)O3)CC(C)(C)[NH2+]1 ZINC000015905396 558761254 /nfs/dbraw/zinc/76/12/54/558761254.db2.gz RKFITMNYIQHZHA-OIMFZILRSA-N 1 0 413.518 1.987 50 0 HDAARO CCOC(=O)C1(O)CCN(C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)CC1 ZINC000072306152 558762271 /nfs/dbraw/zinc/76/22/71/558762271.db2.gz CYRIULVGOZYUGF-UHFFFAOYSA-N 1 0 404.511 1.750 50 0 HDAARO O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000015990919 558765627 /nfs/dbraw/zinc/76/56/27/558765627.db2.gz LKOJXEHBHSHEFR-ROUUACIJSA-N 1 0 405.539 1.703 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@@]21c2ccc(C)c(C)c2NC1=O ZINC000016022085 558767547 /nfs/dbraw/zinc/76/75/47/558767547.db2.gz HJRBTQGLJOGHMF-DYXJYMTDSA-N 1 0 412.490 1.089 50 0 HDAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CCN(S(=O)(=O)c3c[nH]cn3)CC2)C1 ZINC000020855913 558770436 /nfs/dbraw/zinc/77/04/36/558770436.db2.gz FMHYJIKDYDDDAO-HOTGVXAUSA-N 1 0 411.572 1.295 50 0 HDAARO CCCc1nnc(C(=O)Nc2cccc(C(=O)NCCN3CC[NH+](C)CC3)c2)s1 ZINC000033022790 558838135 /nfs/dbraw/zinc/83/81/35/558838135.db2.gz YBEQFUOSXBXDTH-UHFFFAOYSA-N 1 0 416.551 1.720 50 0 HDAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000046959706 558841407 /nfs/dbraw/zinc/84/14/07/558841407.db2.gz JBEOSRUXQUHTBA-QGZVFWFLSA-N 1 0 409.552 1.559 50 0 HDAARO Cc1cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)nc(N2CCOCC2)[nH+]1 ZINC000049028105 558847774 /nfs/dbraw/zinc/84/77/74/558847774.db2.gz ORTSZTVDKPPJAF-UHFFFAOYSA-N 1 0 420.517 1.994 50 0 HDAARO COCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1 ZINC000033034082 558858231 /nfs/dbraw/zinc/85/82/31/558858231.db2.gz DGPCNVIWLNSMKG-UHFFFAOYSA-N 1 0 418.519 1.273 50 0 HDAARO O=C(Cn1cnnn1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055342723 558879595 /nfs/dbraw/zinc/87/95/95/558879595.db2.gz LBHOSCVYPZJSTB-QGZVFWFLSA-N 1 0 423.443 1.505 50 0 HDAARO CN(C)c1cncc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071736526 558908086 /nfs/dbraw/zinc/90/80/86/558908086.db2.gz JPOUCNVJDWWKRB-QGZVFWFLSA-N 1 0 402.543 1.082 50 0 HDAARO O=C(c1cccc(O)c1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071746574 558908348 /nfs/dbraw/zinc/90/83/48/558908348.db2.gz OTULCGOWLGQGKL-SFHVURJKSA-N 1 0 401.507 1.568 50 0 HDAARO O=C([C@@H]1CCC[N@@H+](C2CCN(c3cc(NCCO)ncn3)CC2)C1)N1CCCC1 ZINC000071763631 558910350 /nfs/dbraw/zinc/91/03/50/558910350.db2.gz CERGKJWJPONHPJ-QGZVFWFLSA-N 1 0 402.543 1.184 50 0 HDAARO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCCC3)C2)cc1 ZINC000061548247 558945543 /nfs/dbraw/zinc/94/55/43/558945543.db2.gz NGDVNKKUTYVZCG-QGZVFWFLSA-N 1 0 409.552 1.698 50 0 HDAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CCCn3cncn3)C2)CC1 ZINC000064131528 558962100 /nfs/dbraw/zinc/96/21/00/558962100.db2.gz AXRUZCRHKDLECS-IBGZPJMESA-N 1 0 412.538 1.880 50 0 HDAARO Cc1ccc(C)c(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)c1 ZINC000065362966 558973886 /nfs/dbraw/zinc/97/38/86/558973886.db2.gz WHMUCNPBVLIMKV-UHFFFAOYSA-N 1 0 405.524 1.629 50 0 HDAARO Cc1cc(CN2CCC3(CN(CCCN4CC[C@H]([NH+](C)C)C4)C(=O)O3)CC2)on1 ZINC000072426772 558978825 /nfs/dbraw/zinc/97/88/25/558978825.db2.gz SNAVFBMPQKQZSE-SFHVURJKSA-N 1 0 405.543 1.796 50 0 HDAARO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)Cn3c4ccccc4n(C)c(=O)c3=O)C2)cc1 ZINC000021943823 558979624 /nfs/dbraw/zinc/97/96/24/558979624.db2.gz CJPXPKYKTYNQDZ-IBGZPJMESA-N 1 0 420.513 1.647 50 0 HDAARO CC[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cn1c2ccccc2n(C)c(=O)c1=O ZINC000021943851 558979640 /nfs/dbraw/zinc/97/96/40/558979640.db2.gz OBEPYEKMHKQJNS-GOSISDBHSA-N 1 0 408.502 1.727 50 0 HDAARO CN(C)S(=O)(=O)N1CCC(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000072437293 558980768 /nfs/dbraw/zinc/98/07/68/558980768.db2.gz FDEDAFLTAWCAMK-UHFFFAOYSA-N 1 0 408.568 1.069 50 0 HDAARO COc1cccc(CN2CCC[C@](O)(C[N@@H+]3CCc4nc(N)sc4C3)C2=O)c1 ZINC000067434455 558986626 /nfs/dbraw/zinc/98/66/26/558986626.db2.gz MWQDWRMUGWEYNW-FQEVSTJZSA-N 1 0 402.520 1.646 50 0 HDAARO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000067601948 558987672 /nfs/dbraw/zinc/98/76/72/558987672.db2.gz PVTMBTQHKYOSTH-GOSISDBHSA-N 1 0 423.579 1.838 50 0 HDAARO Cc1nn(CC(=O)NCC[NH+](C)C)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033267296 558989708 /nfs/dbraw/zinc/98/97/08/558989708.db2.gz VOARPNDRBCLEBH-UHFFFAOYSA-N 1 0 419.489 1.359 50 0 HDAARO CNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)C34CC5CC(CC(C5)C3)C4)nn2)C[NH2+]1 ZINC000067786861 558992863 /nfs/dbraw/zinc/99/28/63/558992863.db2.gz UTGJSVQFKKMQES-GLTYYMKBSA-N 1 0 400.527 1.102 50 0 HDAARO CC(C)c1cccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000097163879 558998248 /nfs/dbraw/zinc/99/82/48/558998248.db2.gz AUHMLMDJRGTZRL-KRWDZBQOSA-N 1 0 400.566 1.740 50 0 HDAARO C[NH+](C)[C@H]1CCN(CCCN2CC3(CCN(C(=O)c4ccncc4)CC3)OC2=O)C1 ZINC000077302284 559001021 /nfs/dbraw/zinc/00/10/21/559001021.db2.gz OADFNSAINVXFIS-IBGZPJMESA-N 1 0 415.538 1.535 50 0 HDAARO CCCCN1CCN([C@H](C(=O)N2CCC[N@H+](C)CC2)c2ccccc2)C(=O)C1=O ZINC000077376574 559002721 /nfs/dbraw/zinc/00/27/21/559002721.db2.gz DVQVLDFTYFGZCE-IBGZPJMESA-N 1 0 400.523 1.363 50 0 HDAARO Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCC[N@@H+](C)CC3)[C@@H]4C2=O)c1 ZINC000077393127 559003693 /nfs/dbraw/zinc/00/36/93/559003693.db2.gz FQPJGMRWMSXWPR-BLRYILKCSA-N 1 0 409.530 1.750 50 0 HDAARO Cc1ccc(CN(C)C(=O)[C@@H]2[C@H]3C(=O)N(CC[NH+]4CCCCC4)C[C@@]34C=C[C@@H]2O4)o1 ZINC000077405991 559003840 /nfs/dbraw/zinc/00/38/40/559003840.db2.gz MHYVVOYREOYGKL-MXBUBSDBSA-N 1 0 413.518 1.814 50 0 HDAARO COc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)ncn1 ZINC000082087363 559036756 /nfs/dbraw/zinc/03/67/56/559036756.db2.gz AOWQSDMBPWSWRK-SFHVURJKSA-N 1 0 410.522 1.877 50 0 HDAARO CC(C)(C)NC(=O)CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082093616 559037330 /nfs/dbraw/zinc/03/73/30/559037330.db2.gz LAIFVMOPUAERPS-SFHVURJKSA-N 1 0 415.582 1.789 50 0 HDAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CCNC(=O)C1 ZINC000082109165 559038837 /nfs/dbraw/zinc/03/88/37/559038837.db2.gz DEMKSYPUUKAJCY-INIZCTEOSA-N 1 0 411.506 1.467 50 0 HDAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(CCN3CCCC3=O)CC2)C1 ZINC000082121853 559039732 /nfs/dbraw/zinc/03/97/32/559039732.db2.gz JJEOXYHNRPTMBK-IBGZPJMESA-N 1 0 413.566 1.497 50 0 HDAARO Cn1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cn1 ZINC000082138502 559040460 /nfs/dbraw/zinc/04/04/60/559040460.db2.gz RXQAVSSQPXDOIJ-QGZVFWFLSA-N 1 0 410.522 1.448 50 0 HDAARO C[C@H](C(=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1)[NH+]1CCCC1 ZINC000095519631 559084831 /nfs/dbraw/zinc/08/48/31/559084831.db2.gz QSWIMBWSRLYZGW-LJQANCHMSA-N 1 0 401.555 1.989 50 0 HDAARO COc1cccc(CN2CC3(CC2=O)CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC3)c1 ZINC000095524158 559085728 /nfs/dbraw/zinc/08/57/28/559085728.db2.gz FMUADUWERPMIAV-IBGZPJMESA-N 1 0 401.507 1.415 50 0 HDAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[NH+]1CCCCCC1)CC2 ZINC000095526844 559086178 /nfs/dbraw/zinc/08/61/78/559086178.db2.gz VHCRAAAPJGFKKS-UHFFFAOYSA-N 1 0 403.527 1.135 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](CCC(N)=O)[NH2+][C@@]3(c4cccc(Cl)c4NC3=O)[C@H]2C1=O ZINC000248234937 559269125 /nfs/dbraw/zinc/26/91/25/559269125.db2.gz MFBMDYLIKLCJBX-JHGZYIKQSA-N 1 0 418.881 1.126 50 0 HDAARO CC(C)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000005451292 560590309 /nfs/dbraw/zinc/59/03/09/560590309.db2.gz YGYFNRTYOSATIZ-PROJREHDSA-N 1 0 415.465 1.771 50 0 HDAARO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000005638194 560635878 /nfs/dbraw/zinc/63/58/78/560635878.db2.gz TVZTWQOQTMIWEO-UHFFFAOYSA-N 1 0 414.413 1.849 50 0 HDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000017803723 560728638 /nfs/dbraw/zinc/72/86/38/560728638.db2.gz FDDOTCNYQCCFHC-IBGZPJMESA-N 1 0 423.579 1.560 50 0 HDAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)C1 ZINC000103892113 560844792 /nfs/dbraw/zinc/84/47/92/560844792.db2.gz GAKHQIWEWWRFSS-OTWHNJEPSA-N 1 0 414.616 1.523 50 0 HDAARO CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(S(=O)(=O)c4cccnc4)CC3)C2)CC1 ZINC000575317734 560855624 /nfs/dbraw/zinc/85/56/24/560855624.db2.gz ZMCHOPYASYYTNK-IBGZPJMESA-N 1 0 422.595 1.810 50 0 HDAARO Cc1ccc(O)c(C[NH2+]C[C@@H]2CN(S(=O)(=O)c3ccccc3)[C@H]3CCN2C3)n1 ZINC000108367095 568418653 /nfs/dbraw/zinc/41/86/53/568418653.db2.gz GGJVPUBVCFHIAD-DLBZAZTESA-N 1 0 402.520 1.333 50 0 HDAARO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000048189643 568432483 /nfs/dbraw/zinc/43/24/83/568432483.db2.gz QINMYPQWJDBKEI-GFCCVEGCSA-N 1 0 416.291 1.588 50 0 HDAARO C[C@@H]1CN(S(=O)(=O)CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@@H](C)O1 ZINC000048236008 568432966 /nfs/dbraw/zinc/43/29/66/568432966.db2.gz URRIOUNHYPZGEN-ZIAGYGMSSA-N 1 0 422.507 1.334 50 0 HDAARO C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000048368164 568442128 /nfs/dbraw/zinc/44/21/28/568442128.db2.gz NADPHEIQLZKBJQ-KRWDZBQOSA-N 1 0 401.507 1.761 50 0 HDAARO COc1ccc(C(=O)NC[C@H](c2cccn2C)N2CC[NH+](C)CC2)c(OC)c1OC ZINC000021152941 568461947 /nfs/dbraw/zinc/46/19/47/568461947.db2.gz GGGHAOUBLKEAAM-GOSISDBHSA-N 1 0 416.522 1.769 50 0 HDAARO CC[NH+]1CCC[C@H]1CNC(=O)C[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000223243298 568542470 /nfs/dbraw/zinc/54/24/70/568542470.db2.gz BFTNKUBUTTYVDD-QFBILLFUSA-N 1 0 411.506 1.621 50 0 HDAARO C[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000020491556 568614647 /nfs/dbraw/zinc/61/46/47/568614647.db2.gz NYJOQEHVKSTHMW-UHFFFAOYSA-N 1 0 402.476 1.570 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530933 568626765 /nfs/dbraw/zinc/62/67/65/568626765.db2.gz MVXTWFUNIQUEJZ-LJQANCHMSA-N 1 0 402.495 1.504 50 0 HDAARO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(c3nc(=N)n(C)[nH]3)CC2)cc1OC ZINC000225519553 568646116 /nfs/dbraw/zinc/64/61/16/568646116.db2.gz LGCILVWLFXPGFA-CYBMUJFWSA-N 1 0 402.499 1.129 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2CCCN(c3ncnc4onc(C)c43)C2)CC1 ZINC000020945135 568653187 /nfs/dbraw/zinc/65/31/87/568653187.db2.gz UEKZJXBKKLNIDO-KRWDZBQOSA-N 1 0 415.542 1.286 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)CC1 ZINC000021052307 568660900 /nfs/dbraw/zinc/66/09/00/568660900.db2.gz ZLJSUDSJNUAIHB-KRWDZBQOSA-N 1 0 416.613 1.195 50 0 HDAARO COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000096098692 568689902 /nfs/dbraw/zinc/68/99/02/568689902.db2.gz RFUGRURXUWWJCJ-UHFFFAOYSA-N 1 0 417.897 1.938 50 0 HDAARO O=C(Cc1cccc(F)c1)NC[C@@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1 ZINC000299763299 568873519 /nfs/dbraw/zinc/87/35/19/568873519.db2.gz YXSTWZQCEKVWFT-HXUWFJFHSA-N 1 0 403.498 1.729 50 0 HDAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCn2cnnc2)CC1 ZINC000299764412 568873590 /nfs/dbraw/zinc/87/35/90/568873590.db2.gz VTAHPZYSHLRCCS-LJQANCHMSA-N 1 0 403.458 1.188 50 0 HDAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccc(Cl)cn1 ZINC000299771298 568874291 /nfs/dbraw/zinc/87/42/91/568874291.db2.gz XYMNGJNPUNPRSM-SFHVURJKSA-N 1 0 420.941 1.814 50 0 HDAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccc(CO)cc1 ZINC000299783677 568875202 /nfs/dbraw/zinc/87/52/02/568875202.db2.gz XKWURRJQGBSNQN-NRFANRHFSA-N 1 0 415.534 1.258 50 0 HDAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCc2ncc[nH]2)CC1 ZINC000299791837 568876062 /nfs/dbraw/zinc/87/60/62/568876062.db2.gz GBHZADALCSPKJM-IBGZPJMESA-N 1 0 402.470 1.862 50 0 HDAARO CC(C)c1cc(C(=O)NC[C@@H]2CN(C3CC[NH+](C4CCC4)CC3)C(=O)CO2)no1 ZINC000299799065 568876424 /nfs/dbraw/zinc/87/64/24/568876424.db2.gz XAXZUJBRDVJJAY-QGZVFWFLSA-N 1 0 404.511 1.772 50 0 HDAARO Cc1nncn1CC[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299799797 568876548 /nfs/dbraw/zinc/87/65/48/568876548.db2.gz SOPJDSCBIHTBQY-FQEVSTJZSA-N 1 0 417.485 1.496 50 0 HDAARO COc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)cc1C ZINC000015671237 568961819 /nfs/dbraw/zinc/96/18/19/568961819.db2.gz IBALOSSFILBPEB-UHFFFAOYSA-N 1 0 419.551 1.987 50 0 HDAARO Cc1cccc(=O)n1CCC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670468740 568977290 /nfs/dbraw/zinc/97/72/90/568977290.db2.gz SOJQVTDGYNCCML-PAHOBDAQSA-N 1 0 406.530 1.231 50 0 HDAARO Cc1cccc(=O)n1CCC(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670468739 568977324 /nfs/dbraw/zinc/97/73/24/568977324.db2.gz SOJQVTDGYNCCML-JWLIYLPMSA-N 1 0 406.530 1.231 50 0 HDAARO C[NH+](C)CCNC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000015722481 568977695 /nfs/dbraw/zinc/97/76/95/568977695.db2.gz SJYHYKPERDFGNS-UHFFFAOYSA-N 1 0 406.552 1.884 50 0 HDAARO COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000670471140 568998047 /nfs/dbraw/zinc/99/80/47/568998047.db2.gz ABVGGIBAZRFQOY-ZDUSSCGKSA-N 1 0 409.533 1.799 50 0 HDAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)[nH+]1 ZINC000017012905 569005123 /nfs/dbraw/zinc/00/51/23/569005123.db2.gz SNNLQHRWUMKUCU-UHFFFAOYSA-N 1 0 416.551 1.048 50 0 HDAARO CC[NH+](CC)CCCNC(=O)c1ccc(CN2CC(=O)N3CCCC[C@@H]3C2=O)cc1 ZINC000006877474 569048362 /nfs/dbraw/zinc/04/83/62/569048362.db2.gz AGBHKYLAEAVYNK-HXUWFJFHSA-N 1 0 414.550 1.872 50 0 HDAARO C[N@@H+]1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@H]2C1 ZINC000245328135 569056019 /nfs/dbraw/zinc/05/60/19/569056019.db2.gz RZBBJXPUMQNBCQ-YKSBVNFPSA-N 1 0 418.497 1.671 50 0 HDAARO O=c1cc(CN2CCOCC2)nc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)[nH]1 ZINC000035926900 569066424 /nfs/dbraw/zinc/06/64/24/569066424.db2.gz WHKVHPRXBKYXFG-UHFFFAOYSA-N 1 0 401.486 1.454 50 0 HDAARO COc1ccc(CC(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)cc1 ZINC000064593954 569069637 /nfs/dbraw/zinc/06/96/37/569069637.db2.gz ZSFODMFYMBAIAF-UHFFFAOYSA-N 1 0 411.506 1.522 50 0 HDAARO Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H]3C[C@@H](CO)[N@H+](C)C3)csc2C1 ZINC000426627896 569073685 /nfs/dbraw/zinc/07/36/85/569073685.db2.gz ZTHREALJOXLJEZ-CABCVRRESA-N 1 0 404.536 1.706 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@@H]1c1ccccc1F ZINC000035991083 569074649 /nfs/dbraw/zinc/07/46/49/569074649.db2.gz CCJDEUCUULABNK-LJQANCHMSA-N 1 0 404.486 1.977 50 0 HDAARO COc1ccc(OC)c(-c2cc(C(=O)N[C@@H](C(=O)NCC[NH+](C)C)C(C)C)no2)c1 ZINC000036016072 569076635 /nfs/dbraw/zinc/07/66/35/569076635.db2.gz WRSBGEHAEMYMRD-LJQANCHMSA-N 1 0 418.494 1.791 50 0 HDAARO CC[NH+](CC)CCCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000006918217 569181539 /nfs/dbraw/zinc/18/15/39/569181539.db2.gz JJMNHJXVFVTTSQ-DLBZAZTESA-N 1 0 424.592 1.829 50 0 HDAARO O=C(NCCCN1CCOCC1)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000065256242 569208187 /nfs/dbraw/zinc/20/81/87/569208187.db2.gz KBFLVSACVSGYRX-OAQYLSRUSA-N 1 0 409.534 1.685 50 0 HDAARO Cc1scc2nc(C(=O)NCCCN3CC[NH+](C)CC3)nc(N3CCOCC3)c12 ZINC000065283326 569216508 /nfs/dbraw/zinc/21/65/08/569216508.db2.gz SEMQDRJFTOBTDX-UHFFFAOYSA-N 1 0 418.567 1.204 50 0 HDAARO CCOC(=O)C1CCN(Cc2nc3nc(C)cc(N4CC[NH+](CC)CC4)n3n2)CC1 ZINC000065311641 569220884 /nfs/dbraw/zinc/22/08/84/569220884.db2.gz QKEBJURSSOIYMS-UHFFFAOYSA-N 1 0 415.542 1.350 50 0 HDAARO COc1ccccc1C(=O)NCCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000036811984 569229160 /nfs/dbraw/zinc/22/91/60/569229160.db2.gz LLNIDQVDJQCROA-UHFFFAOYSA-N 1 0 403.523 1.966 50 0 HDAARO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000252139734 569282171 /nfs/dbraw/zinc/28/21/71/569282171.db2.gz GJDJWVDAOCTMHY-HOCLYGCPSA-N 1 0 419.503 1.283 50 0 HDAARO Cn1nc2nc(N3CCN(CC[NH+](C)C)CC3)nc(-c3ccc(F)cc3F)c2c1N ZINC000037361000 569283527 /nfs/dbraw/zinc/28/35/27/569283527.db2.gz HDXKCNLQSPUXRV-UHFFFAOYSA-N 1 0 416.480 1.574 50 0 HDAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCNC(=O)c2cccc3ncccc32)CC1 ZINC000252485081 569289186 /nfs/dbraw/zinc/28/91/86/569289186.db2.gz GNINXPUFKIBBHV-SFHVURJKSA-N 1 0 414.550 1.758 50 0 HDAARO Cc1ccc(C)n1CC[NH+]1CCN(C(=O)C[C@H]2NC(=O)N(c3ccccc3)C2=O)CC1 ZINC000252489731 569289388 /nfs/dbraw/zinc/28/93/88/569289388.db2.gz JYQCHCILGLNSPE-HXUWFJFHSA-N 1 0 423.517 1.969 50 0 HDAARO COc1cc2ncn(CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)c2cc1OC ZINC000252522937 569292549 /nfs/dbraw/zinc/29/25/49/569292549.db2.gz BMCMFXYLUJCSQB-CRAIPNDOSA-N 1 0 414.506 1.794 50 0 HDAARO NC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[NH2+]CCCN1CCOCC1 ZINC000007737457 569304879 /nfs/dbraw/zinc/30/48/79/569304879.db2.gz UFFBCLWKUDDIPK-UHFFFAOYSA-N 1 0 402.520 1.764 50 0 HDAARO CCOCC(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000581820102 569320976 /nfs/dbraw/zinc/32/09/76/569320976.db2.gz REUKZFSMQOCLKO-IBGZPJMESA-N 1 0 402.539 1.780 50 0 HDAARO COc1cc(C[NH2+]CCc2cccnc2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000019221879 569414525 /nfs/dbraw/zinc/41/45/25/569414525.db2.gz DCIGDBPGJLTFMK-FQEVSTJZSA-N 1 0 401.507 1.494 50 0 HDAARO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000079066725 569426597 /nfs/dbraw/zinc/42/65/97/569426597.db2.gz LJVBCERZVHTEPW-UNMCSNQZSA-N 1 0 413.518 1.827 50 0 HDAARO Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccccc2)c(=O)n3C)n1CCC[NH+](C)C ZINC000008706220 571103460 /nfs/dbraw/zinc/10/34/60/571103460.db2.gz APTOUSWZSFCZQB-UHFFFAOYSA-N 1 0 408.506 1.766 50 0 HDAARO Cc1c(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)cnc2ccnn21 ZINC000670474320 571111048 /nfs/dbraw/zinc/11/10/48/571111048.db2.gz MOJDHSAUVKOGOJ-QKTWPWEVSA-N 1 0 402.502 1.335 50 0 HDAARO C[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008791937 571120199 /nfs/dbraw/zinc/12/01/99/571120199.db2.gz JEZQKGIJXMVCTQ-AWEZNQCLSA-N 1 0 415.925 1.774 50 0 biogenic HDAARO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)c3cccc4nsnc43)cn2)CC1 ZINC000040118778 571174969 /nfs/dbraw/zinc/17/49/69/571174969.db2.gz HBZSBKAQLPKIKW-UHFFFAOYSA-N 1 0 418.548 1.707 50 0 HDAARO CS(=O)(=O)N1CCN(C(=O)NCC2CC[NH+](C3CCSCC3)CC2)C1=O ZINC000245130811 571214965 /nfs/dbraw/zinc/21/49/65/571214965.db2.gz UYSKFEJGCSAMND-UHFFFAOYSA-N 1 0 404.558 1.001 50 0 HDAARO CN1CC[N@H+](CCCNC(=O)CNC(=O)COc2ccccc2)[C@H](c2ccccc2)C1 ZINC000069925901 571249994 /nfs/dbraw/zinc/24/99/94/571249994.db2.gz ZYXFCDHRZHRPOS-QFIPXVFZSA-N 1 0 424.545 1.677 50 0 HDAARO COC(=O)c1sccc1NC(=O)CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000071328484 571292633 /nfs/dbraw/zinc/29/26/33/571292633.db2.gz OTRQIFRBWYZXIY-UHFFFAOYSA-N 1 0 408.524 1.279 50 0 HDAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)[nH+]1 ZINC000009620735 132341727 /nfs/dbraw/zinc/34/17/27/132341727.db2.gz QHXYJFHEVALPFO-SFHVURJKSA-N 1 0 411.506 1.738 50 0 HDAARO Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011698057 132350180 /nfs/dbraw/zinc/35/01/80/132350180.db2.gz YFPDYKNDHDDHKO-UHFFFAOYSA-N 1 0 415.479 1.731 50 0 HDAARO COc1cc(F)ccc1CN1CC[C@@H]([NH+]2CCN(c3ccccn3)CC2)[C@H](O)C1 ZINC000012439241 132360143 /nfs/dbraw/zinc/36/01/43/132360143.db2.gz PPDRMBMCMKRSEM-WOJBJXKFSA-N 1 0 400.498 1.987 50 0 HDAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@]21c2cccc(Cl)c2NC1=O ZINC000020549014 518706573 /nfs/dbraw/zinc/70/65/73/518706573.db2.gz VMUILMMGAYMIOF-FCQHBODISA-N 1 0 418.881 1.124 50 0 HDAARO CCOC(=O)CN(C)Cc1ccc(OC)c(OC[C@H](O)CN2CCC[N@H+](C)CC2)c1 ZINC000020541578 520744720 /nfs/dbraw/zinc/74/47/20/520744720.db2.gz FENLIYWRHUCVMO-LJQANCHMSA-N 1 0 423.554 1.067 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000020566332 523291374 /nfs/dbraw/zinc/29/13/74/523291374.db2.gz GMVWDFZCSGUWIP-UJKGCTCZSA-N 1 0 405.882 1.753 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@]21c2ccccc2NC1=O ZINC000020548630 523806801 /nfs/dbraw/zinc/80/68/01/523806801.db2.gz VEGZLQMJTUOQDI-QPXQOZNCSA-N 1 0 405.454 1.296 50 0 HDAARO C[NH+]1CCN(CCNC(=O)CC2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000032974453 523902241 /nfs/dbraw/zinc/90/22/41/523902241.db2.gz YLVTYJGQIMSBMY-UHFFFAOYSA-N 1 0 406.958 1.946 50 0 HDAARO COc1ccccc1[C@H](CNC(=O)Cn1nc2n(c1=O)CCCCC2)[NH+]1CCCC1 ZINC000032779870 524791409 /nfs/dbraw/zinc/79/14/09/524791409.db2.gz HTODQZAVVNJGSC-SFHVURJKSA-N 1 0 413.522 1.733 50 0 HDAARO Cc1ccccc1S(=O)(=O)N(CCCOC(C)C)CCC(=O)N1CC[NH2+]CC1 ZINC000045944879 525327411 /nfs/dbraw/zinc/32/74/11/525327411.db2.gz AETDJJVRCUTMLU-UHFFFAOYSA-N 1 0 411.568 1.623 50 0 HDAARO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H]2CCCO2)c(C)c1 ZINC000045944350 525512131 /nfs/dbraw/zinc/51/21/31/525512131.db2.gz GYOKCJVQNGVHAZ-SFHVURJKSA-N 1 0 409.552 1.295 50 0 HDAARO CC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCCc3ccccc3OC)co2)CC1 ZINC000034677595 557365645 /nfs/dbraw/zinc/36/56/45/557365645.db2.gz SERVWWXDISHRSA-GOSISDBHSA-N 1 0 416.522 1.544 50 0 HDAARO COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022778587 557821357 /nfs/dbraw/zinc/82/13/57/557821357.db2.gz PCQAJEFGMJEFER-PGRDOPGGSA-N 1 0 424.545 1.977 50 0 HDAARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022795984 557822891 /nfs/dbraw/zinc/82/28/91/557822891.db2.gz FOWZVWNSBRYIOL-HXUWFJFHSA-N 1 0 414.481 1.878 50 0 HDAARO O=C(NCCC[NH+]1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000010450189 558257664 /nfs/dbraw/zinc/25/76/64/558257664.db2.gz KUYRPRBQLUTZIW-UHFFFAOYSA-N 1 0 415.943 1.577 50 0 HDAARO CCOC(=O)C1CC[NH+](Cc2cccc(OC[C@@H](O)CN3CCOCC3)c2)CC1 ZINC000011813900 558278168 /nfs/dbraw/zinc/27/81/68/558278168.db2.gz DXUVCECOKZYWPV-FQEVSTJZSA-N 1 0 406.523 1.534 50 0 HDAARO COc1cc(C[NH2+]CCOc2ccccc2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012076766 558320088 /nfs/dbraw/zinc/32/00/88/558320088.db2.gz VBMYEWAETJRGPP-HXUWFJFHSA-N 1 0 416.518 1.936 50 0 HDAARO COc1ccc(Cn2c3cc4c(cc3cc(C[NH2+]C[C@@H](O)CO)c2=O)CCC4)cc1 ZINC000012126153 558331329 /nfs/dbraw/zinc/33/13/29/558331329.db2.gz WRLXKDCOWZXXDM-OAQYLSRUSA-N 1 0 408.498 1.990 50 0 HDAARO CCCCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000020354913 558357193 /nfs/dbraw/zinc/35/71/93/558357193.db2.gz UASIUOZNJCRIOQ-UHFFFAOYSA-N 1 0 410.522 1.541 50 0 HDAARO CN1CCC([NH+]2CCC(Oc3cccc(C(=O)N(CCO)CCO)c3)CC2)CC1 ZINC000020449173 558364273 /nfs/dbraw/zinc/36/42/73/558364273.db2.gz LERLCPWYKGHRKW-UHFFFAOYSA-N 1 0 405.539 1.051 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CCC2=NNC(=O)CC2)CC1 ZINC000012304307 558373655 /nfs/dbraw/zinc/37/36/55/558373655.db2.gz XCCCKENXULKAMZ-IBGZPJMESA-N 1 0 419.570 1.652 50 0 HDAARO CC[NH+]1CCN(C[C@H](O)COc2cccc(CN(C)Cc3nonc3C)c2)CC1 ZINC000020993220 558426162 /nfs/dbraw/zinc/42/61/62/558426162.db2.gz XNYZDRHOYAZTPT-IBGZPJMESA-N 1 0 403.527 1.387 50 0 HDAARO Cc1cc(N2CCN(C(=O)Cn3nnnc3CN3CCC(C)CC3)CC2)cc(C)[nH+]1 ZINC000012586359 558434083 /nfs/dbraw/zinc/43/40/83/558434083.db2.gz COUKKSTWVPVENU-UHFFFAOYSA-N 1 0 412.542 1.266 50 0 HDAARO O=C(N[C@H](CCn1cncn1)c1ccccc1)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000012588255 558434853 /nfs/dbraw/zinc/43/48/53/558434853.db2.gz KFWOWLHXKBXGFR-LJQANCHMSA-N 1 0 408.510 1.917 50 0 HDAARO Cc1nn(-c2ccccc2)c2c1nc(CCC(=O)NCC[NH+]1CCCC1)c(=O)n2C ZINC000021640906 558444558 /nfs/dbraw/zinc/44/45/58/558444558.db2.gz HUDLQGGURQNAHX-UHFFFAOYSA-N 1 0 408.506 1.572 50 0 HDAARO CN1CCC([NH+]2CCC(Oc3cccc(C(=O)NC[C@@H]4COCCO4)c3)CC2)CC1 ZINC000012715967 558455047 /nfs/dbraw/zinc/45/50/47/558455047.db2.gz GCUVDHRCTGHXPW-JOCHJYFZSA-N 1 0 417.550 1.769 50 0 HDAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000022011682 558457887 /nfs/dbraw/zinc/45/78/87/558457887.db2.gz VTHZYDOJOWBMQB-LJQANCHMSA-N 1 0 409.552 1.716 50 0 HDAARO CNS(=O)(=O)c1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC000012790598 558465161 /nfs/dbraw/zinc/46/51/61/558465161.db2.gz SUOVYHKSHLCPHF-UHFFFAOYSA-N 1 0 417.531 1.998 50 0 HDAARO COCCn1nc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)ccc1=O ZINC000022680438 558504125 /nfs/dbraw/zinc/50/41/25/558504125.db2.gz UJNGTNRWFGLLDK-SFHVURJKSA-N 1 0 400.479 1.465 50 0 HDAARO C[NH+]1CCC(N2CCN(Cc3cc(F)ccc3-n3cccn3)C[C@@H]2CCO)CC1 ZINC000022919107 558522151 /nfs/dbraw/zinc/52/21/51/558522151.db2.gz ZGIFCFNRGNFRTF-NRFANRHFSA-N 1 0 401.530 1.974 50 0 HDAARO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](CC)CC2)=[NH+][C@H]1c1ccc(OC)cc1OC ZINC000013550785 558538966 /nfs/dbraw/zinc/53/89/66/558538966.db2.gz IOYDTSWBMBUVDA-ROUUACIJSA-N 1 0 418.494 1.048 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000013572898 558542562 /nfs/dbraw/zinc/54/25/62/558542562.db2.gz HNFXQMYEYFSSGC-CROMWVBPSA-N 1 0 421.453 1.002 50 0 HDAARO CCc1ncc(CN2CC[C@@H]([NH+]3CCN(CCc4ccccc4)CC3)[C@H](O)C2)cn1 ZINC000023360140 558551742 /nfs/dbraw/zinc/55/17/42/558551742.db2.gz MAWJZAMIAUNWDQ-DHIUTWEWSA-N 1 0 409.578 1.835 50 0 HDAARO CS(=O)(=O)NC1CC[NH+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000014238581 558642593 /nfs/dbraw/zinc/64/25/93/558642593.db2.gz VRDKONZMZOFEPL-UHFFFAOYSA-N 1 0 408.524 1.156 50 0 HDAARO CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H]([NH2+]Cc1ccccc1OC)C2 ZINC000014539297 558659170 /nfs/dbraw/zinc/65/91/70/558659170.db2.gz JBPPNQFIJJLEKD-SFHVURJKSA-N 1 0 411.550 1.946 50 0 HDAARO [NH3+]CCCC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(-c4ccccc4)cc3)CCN2C1=O ZINC000014743074 558667762 /nfs/dbraw/zinc/66/77/62/558667762.db2.gz PBIRPNXQZAQPQV-LEWJYISDSA-N 1 0 420.513 1.634 50 0 HDAARO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)[N@@H+](C(C)C)C2)nn1 ZINC000014962579 558684559 /nfs/dbraw/zinc/68/45/59/558684559.db2.gz GSDXFOSAKXYQJD-WMZOPIPTSA-N 1 0 403.458 1.587 50 0 HDAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1cccc(OCCO)c1)CC2)c1ccccn1 ZINC000014977415 558689754 /nfs/dbraw/zinc/68/97/54/558689754.db2.gz KTFUDXSCDQJYCD-UHFFFAOYSA-N 1 0 422.489 1.033 50 0 HDAARO c1cncc(C[N@@H+]2CCCN(c3nc4nonc4nc3N3CCSCC3)CC2)c1 ZINC000015062327 558705237 /nfs/dbraw/zinc/70/52/37/558705237.db2.gz KTEQXHVMVAYMTO-UHFFFAOYSA-N 1 0 412.523 1.673 50 0 HDAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 ZINC000015377592 558736399 /nfs/dbraw/zinc/73/63/99/558736399.db2.gz RHGAIMFZYQHLAW-GJZGRUSLSA-N 1 0 415.506 1.776 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@@]21c2cccc(CC)c2NC1=O ZINC000016024615 558768609 /nfs/dbraw/zinc/76/86/09/558768609.db2.gz VVUTVSJEPAOIEU-SKGWCBBHSA-N 1 0 412.490 1.035 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016025091 558768894 /nfs/dbraw/zinc/76/88/94/558768894.db2.gz KMHFBXBAEGQZNZ-YWNPBTLJSA-N 1 0 423.444 1.435 50 0 HDAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000018250489 558834704 /nfs/dbraw/zinc/83/47/04/558834704.db2.gz BOVSQYFIDHBSEV-GOSISDBHSA-N 1 0 417.487 1.197 50 0 HDAARO CCc1nnc(C(=O)Nc2cccc(C(=O)NCCN3CC[NH+](CC)CC3)c2)s1 ZINC000033022467 558837575 /nfs/dbraw/zinc/83/75/75/558837575.db2.gz KLELJRHMBKCRFK-UHFFFAOYSA-N 1 0 416.551 1.720 50 0 HDAARO CC1CCN(S(=O)(=O)c2ccc3ncc(C(=O)NCC[NH+](C)C)c(O)c3c2)CC1 ZINC000004660450 558873513 /nfs/dbraw/zinc/87/35/13/558873513.db2.gz RTPSKHLGSYWEGY-UHFFFAOYSA-N 1 0 420.535 1.240 50 0 HDAARO Nc1cc(=O)[nH]c(SCC(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000004625100 558888410 /nfs/dbraw/zinc/88/84/10/558888410.db2.gz KPHSUTXDFDXYDE-UHFFFAOYSA-N 1 0 403.552 1.557 50 0 HDAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC1CC[NH+](C)CC1 ZINC000071375627 558896975 /nfs/dbraw/zinc/89/69/75/558896975.db2.gz CQMIFZPWORFCSP-UHFFFAOYSA-N 1 0 409.552 1.478 50 0 HDAARO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000058151908 558902525 /nfs/dbraw/zinc/90/25/25/558902525.db2.gz GEUNEENKXSVPSK-DLBZAZTESA-N 1 0 412.556 1.920 50 0 HDAARO Cc1cccc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071747059 558908722 /nfs/dbraw/zinc/90/87/22/558908722.db2.gz QAORFJRYRKBPCG-SFHVURJKSA-N 1 0 400.523 1.565 50 0 HDAARO CCc1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)ncc1C ZINC000071750678 558908934 /nfs/dbraw/zinc/90/89/34/558908934.db2.gz OPDDPMAWSYMCPS-GOSISDBHSA-N 1 0 401.555 1.887 50 0 HDAARO O=C(C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1)c1ccco1 ZINC000071755390 558909523 /nfs/dbraw/zinc/90/95/23/558909523.db2.gz XXDIDSHXUCUPPO-INIZCTEOSA-N 1 0 403.479 1.024 50 0 HDAARO Cc1occc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071768070 558910829 /nfs/dbraw/zinc/91/08/29/558910829.db2.gz ZTXXNTJXBUYHIX-SFHVURJKSA-N 1 0 402.539 1.679 50 0 HDAARO C[C@@H]1Sc2ccc(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)cc2NC1=O ZINC000058264408 558915345 /nfs/dbraw/zinc/91/53/45/558915345.db2.gz FXOBBRDJNYDYRA-XJKSGUPXSA-N 1 0 404.536 1.792 50 0 HDAARO Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCN3CC[NH+](C)CC3)CC2)cc1 ZINC000033254579 558918607 /nfs/dbraw/zinc/91/86/07/558918607.db2.gz VQRIRQWOIIIFRP-UHFFFAOYSA-N 1 0 422.595 1.149 50 0 HDAARO C[NH+]1CCN(CCCNC(=O)CCc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033061675 558955335 /nfs/dbraw/zinc/95/53/35/558955335.db2.gz ZSAVNLFFZUREFL-UHFFFAOYSA-N 1 0 416.551 1.477 50 0 HDAARO O=C(CCc1nc(CS(=O)(=O)c2ccccc2)no1)NCC[NH+]1CCCCCC1 ZINC000033062702 558956262 /nfs/dbraw/zinc/95/62/62/558956262.db2.gz NUBWRXLYFFBQCQ-UHFFFAOYSA-N 1 0 420.535 1.968 50 0 HDAARO CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCC3CC[NH+](C)CC3)c2)CC1 ZINC000065362045 558972783 /nfs/dbraw/zinc/97/27/83/558972783.db2.gz QCZNESIRGQMYAE-UHFFFAOYSA-N 1 0 408.568 1.084 50 0 HDAARO Cc1cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000065365204 558976192 /nfs/dbraw/zinc/97/61/92/558976192.db2.gz CKMGDNPFQFNNFH-UHFFFAOYSA-N 1 0 421.498 1.272 50 0 HDAARO Cc1nc(N2CCOCC2)cc(NCCNS(=O)(=O)c2ccc(F)c(F)c2)[nH+]1 ZINC000067603983 558988156 /nfs/dbraw/zinc/98/81/56/558988156.db2.gz CSVDXWMCNCLDBF-UHFFFAOYSA-N 1 0 413.450 1.290 50 0 HDAARO Cc1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000067621929 558989860 /nfs/dbraw/zinc/98/98/60/558989860.db2.gz YPHAOPKLQWDQNM-UHFFFAOYSA-N 1 0 402.524 1.681 50 0 HDAARO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 ZINC000097097514 558992397 /nfs/dbraw/zinc/99/23/97/558992397.db2.gz HQVKJVGPODOFQT-CQSZACIVSA-N 1 0 406.957 1.578 50 0 HDAARO CCOCCC(=O)N1CCc2cc(S(=O)(=O)NC[C@H]3CCC[N@H+](C)C3)ccc2C1 ZINC000077459638 559006235 /nfs/dbraw/zinc/00/62/35/559006235.db2.gz NLYKEFCMCBCNFN-QGZVFWFLSA-N 1 0 423.579 1.618 50 0 HDAARO CCCCN1CCN([C@@H](C(=O)NCC2CC[NH+](C)CC2)c2ccccc2)C(=O)C1=O ZINC000077470780 559006573 /nfs/dbraw/zinc/00/65/73/559006573.db2.gz QSYICKLQEVKKGG-HXUWFJFHSA-N 1 0 414.550 1.657 50 0 HDAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)c3cccc4ccnn43)CC2)OC1=O ZINC000077565648 559009289 /nfs/dbraw/zinc/00/92/89/559009289.db2.gz JTWKVDRLDSFVAP-UHFFFAOYSA-N 1 0 415.494 1.340 50 0 HDAARO CCCCN1CCN([C@H](C(=O)NC2CC[NH+](C)CC2)c2ccccc2)C(=O)C1=O ZINC000077566408 559009310 /nfs/dbraw/zinc/00/93/10/559009310.db2.gz DGDKZQZXOJPGNK-IBGZPJMESA-N 1 0 400.523 1.409 50 0 HDAARO Cc1ccc(S(=O)(=O)N(C[C@H](O)CN2CC[NH+](C)CC2)c2ccc(F)cc2)cc1 ZINC000023118694 559013401 /nfs/dbraw/zinc/01/34/01/559013401.db2.gz TUBSDEIHSYTZRD-HXUWFJFHSA-N 1 0 421.538 1.938 50 0 HDAARO O=C([C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCNC(=O)CC1 ZINC000082120494 559039370 /nfs/dbraw/zinc/03/93/70/559039370.db2.gz CXZCUUORTAGNIW-NRFANRHFSA-N 1 0 412.578 1.754 50 0 HDAARO COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1cc(O)ccc1OC)CC2 ZINC000095500850 559082245 /nfs/dbraw/zinc/08/22/45/559082245.db2.gz RSONYTUUYQSLCR-UHFFFAOYSA-N 1 0 400.479 1.646 50 0 HDAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[N@@H+]1CCCC[C@@H]1C)CC2 ZINC000095528092 559086281 /nfs/dbraw/zinc/08/62/81/559086281.db2.gz VPZPZHARTXQHIG-INIZCTEOSA-N 1 0 403.527 1.133 50 0 HDAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000409413872 559250836 /nfs/dbraw/zinc/25/08/36/559250836.db2.gz FUCAKXSWTSBMKR-CGTJXYLNSA-N 1 0 402.495 1.813 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C)[NH2+][C@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O ZINC000247928550 559255153 /nfs/dbraw/zinc/25/51/53/559255153.db2.gz BQBWRMQNBHJNQQ-HOYAQQKDSA-N 1 0 406.280 1.990 50 0 HDAARO CN(CC1([NH+]2CCCCC2)CCCCC1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O ZINC000426489691 559271784 /nfs/dbraw/zinc/27/17/84/559271784.db2.gz SGHNAAPCBFQXFK-INIZCTEOSA-N 1 0 403.527 1.248 50 0 HDAARO COc1ccc(C2=NO[C@@H]3[C@@H]4C[C@H]([C@H]23)[C@H]2C(=O)N(CC[NH+](C)C)C(=O)[C@@H]42)c(OC)c1 ZINC000005245225 560550345 /nfs/dbraw/zinc/55/03/45/560550345.db2.gz PQYPHYAIJQRYTB-QCTDFANMSA-N 1 0 413.474 1.235 50 0 HDAARO COc1cc(C[NH2+]CCc2ccc(O)cc2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012072321 560888540 /nfs/dbraw/zinc/88/85/40/560888540.db2.gz JADBTMRSUPILAA-NRFANRHFSA-N 1 0 416.518 1.805 50 0 HDAARO Cc1cc(CSc2ncccc2C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)no1 ZINC000048189601 568432450 /nfs/dbraw/zinc/43/24/50/568432450.db2.gz GURBKMYLVZYNOM-UHFFFAOYSA-N 1 0 403.508 1.516 50 0 HDAARO COc1cccc(C[C@H](C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)n2nnnc2C)c1 ZINC000048299602 568437076 /nfs/dbraw/zinc/43/70/76/568437076.db2.gz JFUSYYOXRSEDNA-VQTJNVASSA-N 1 0 416.526 1.247 50 0 HDAARO CCc1cc(CC)n(-c2nc3c(c(=O)n(CC[NH+]4CCCCC4)c(=O)n3C)n2C)n1 ZINC000012232141 568454032 /nfs/dbraw/zinc/45/40/32/568454032.db2.gz AJZBZQXNRDIBRU-UHFFFAOYSA-N 1 0 413.526 1.230 50 0 HDAARO CC(C)N1C(=O)C[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1=O ZINC000095940834 568456183 /nfs/dbraw/zinc/45/61/83/568456183.db2.gz ZUAMUCMSBCOTQX-DYVFJYSZSA-N 1 0 400.479 1.878 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214429 568594708 /nfs/dbraw/zinc/59/47/08/568594708.db2.gz AUYXVKBTMCFMTG-HXUWFJFHSA-N 1 0 416.522 1.892 50 0 HDAARO O=C(Cn1ncc2ccsc2c1=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020355433 568600019 /nfs/dbraw/zinc/60/00/19/568600019.db2.gz MYJCQNZUNXNZLF-UHFFFAOYSA-N 1 0 411.531 1.392 50 0 HDAARO C[C@@H]1Oc2ccccc2N(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1=O ZINC000095426530 568608089 /nfs/dbraw/zinc/60/80/89/568608089.db2.gz YNLHLKONCYNHNY-WDYCEAGBSA-N 1 0 401.507 1.685 50 0 HDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000020485817 568613163 /nfs/dbraw/zinc/61/31/63/568613163.db2.gz KPPMFZSYJYCBTN-GOSISDBHSA-N 1 0 401.898 1.778 50 0 HDAARO COc1ccc(OC)c(N2C[C@H](C(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2=O)c1 ZINC000040086631 568619617 /nfs/dbraw/zinc/61/96/17/568619617.db2.gz CRKZZWQTXJVRRP-IXDOHACOSA-N 1 0 419.522 1.672 50 0 HDAARO CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCC[NH+](CC(C)C)CC(C)C ZINC000020531866 568627616 /nfs/dbraw/zinc/62/76/16/568627616.db2.gz TVUDRWOROXMJTO-UHFFFAOYSA-N 1 0 407.555 1.971 50 0 biogenic HDAARO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)c1 ZINC000020614259 568637821 /nfs/dbraw/zinc/63/78/21/568637821.db2.gz REFNESMBLORAEJ-LJQANCHMSA-N 1 0 424.501 1.767 50 0 HDAARO CCC[NH+]1CCN(CCCNC(=O)CCn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000020724416 568640533 /nfs/dbraw/zinc/64/05/33/568640533.db2.gz ACWDQFVXMVGEOA-UHFFFAOYSA-N 1 0 411.550 1.834 50 0 HDAARO NS(=O)(=O)c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c(Cl)c1 ZINC000225505179 568644434 /nfs/dbraw/zinc/64/44/34/568644434.db2.gz SUBHUSCEQMIXHK-UHFFFAOYSA-N 1 0 415.943 1.752 50 0 HDAARO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000021026790 568658818 /nfs/dbraw/zinc/65/88/18/568658818.db2.gz SMVFPIQCKQZHFE-OAHLLOKOSA-N 1 0 406.556 1.483 50 0 HDAARO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000095995458 568678393 /nfs/dbraw/zinc/67/83/93/568678393.db2.gz GJHZBCUSNSGMMW-IRXDYDNUSA-N 1 0 412.575 1.449 50 0 HDAARO CCN(CC)C(=O)Cc1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000225854464 568680964 /nfs/dbraw/zinc/68/09/64/568680964.db2.gz QBJLZCUAHOFCTP-UHFFFAOYSA-N 1 0 414.510 1.433 50 0 HDAARO COc1cccc(-c2cc(C(=O)N3CCC[C@H](C(=O)NCC[NH+](C)C)C3)no2)c1 ZINC000096210408 568704476 /nfs/dbraw/zinc/70/44/76/568704476.db2.gz OUEBZIKXLJIECL-INIZCTEOSA-N 1 0 400.479 1.880 50 0 HDAARO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000241588506 568731470 /nfs/dbraw/zinc/73/14/70/568731470.db2.gz PDSQZTCMVQUXRE-UHFFFAOYSA-N 1 0 421.611 1.810 50 0 HDAARO C[NH+]1CCN(CCNC(=O)[C@H]2CCc3sc(C(=O)N4CCCC4)cc3C2)CC1 ZINC000096398326 568746923 /nfs/dbraw/zinc/74/69/23/568746923.db2.gz RGEBVSFEAAKNMZ-INIZCTEOSA-N 1 0 404.580 1.453 50 0 HDAARO CN(C)S(=O)(=O)c1ccc(C(=O)NCC2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000225571341 568774553 /nfs/dbraw/zinc/77/45/53/568774553.db2.gz FDNJNURUUKUWII-KRWDZBQOSA-N 1 0 411.593 1.884 50 0 HDAARO Cc1cccc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299759220 568873084 /nfs/dbraw/zinc/87/30/84/568873084.db2.gz CGNYJFAEXSSJTP-IBGZPJMESA-N 1 0 400.523 1.469 50 0 HDAARO O=C(Cc1ccccc1F)NC[C@@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1 ZINC000299782244 568875109 /nfs/dbraw/zinc/87/51/09/568875109.db2.gz SIHUVXIFLUOYND-LJQANCHMSA-N 1 0 403.498 1.729 50 0 HDAARO CN(C)c1cncc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299797088 568876217 /nfs/dbraw/zinc/87/62/17/568876217.db2.gz PNSYOWWMSREHQJ-GOSISDBHSA-N 1 0 402.543 1.304 50 0 HDAARO COC(=O)c1cn(C2CC[NH+](CC(=O)NCc3ccccc3)CC2)cc2c(=O)[nH]nc1-2 ZINC000263588235 568883749 /nfs/dbraw/zinc/88/37/49/568883749.db2.gz QQFHDBOLHCLCCB-UHFFFAOYSA-N 1 0 423.473 1.416 50 0 HDAARO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000670454581 568932308 /nfs/dbraw/zinc/93/23/08/568932308.db2.gz IMVBXOMXOVUNMF-ZDUSSCGKSA-N 1 0 413.503 1.798 50 0 HDAARO CCCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)CC1 ZINC000004316526 568962390 /nfs/dbraw/zinc/96/23/90/568962390.db2.gz VECOMTYMVVIMTB-UHFFFAOYSA-N 1 0 414.485 1.533 50 0 HDAARO CCC[NH+]1CCN(C(=O)C2CCN(c3nnc(N4CCCCC4=O)s3)CC2)CC1 ZINC000015777412 569000313 /nfs/dbraw/zinc/00/03/13/569000313.db2.gz PXWIEDBWZWLCLW-UHFFFAOYSA-N 1 0 420.583 1.826 50 0 HDAARO Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)[nH+]1 ZINC000017012907 569005104 /nfs/dbraw/zinc/00/51/04/569005104.db2.gz CBGROCDZNBOWBN-UHFFFAOYSA-N 1 0 403.508 1.133 50 0 HDAARO Cc1cccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000015864295 569016466 /nfs/dbraw/zinc/01/64/66/569016466.db2.gz AJBKNVJCYSAKMV-UHFFFAOYSA-N 1 0 405.495 1.757 50 0 HDAARO C[NH+]1CCN(CCCNC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000035505259 569040828 /nfs/dbraw/zinc/04/08/28/569040828.db2.gz OBOXBMNDRCLRJA-INIZCTEOSA-N 1 0 402.568 1.661 50 0 HDAARO CSCC[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)NCC[NH+](C)C ZINC000006559551 569065753 /nfs/dbraw/zinc/06/57/53/569065753.db2.gz VQYRXJOAGGNRBY-AWEZNQCLSA-N 1 0 411.952 1.557 50 0 HDAARO CCOC(=O)Cn1c(=O)c2c3c(sc2n(CC[NH+]2CCCCC2)c1=O)CCC3 ZINC000006760787 569114119 /nfs/dbraw/zinc/11/41/19/569114119.db2.gz UEDPPKOWCVTOPG-UHFFFAOYSA-N 1 0 405.520 1.762 50 0 HDAARO CCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025174 569156202 /nfs/dbraw/zinc/15/62/02/569156202.db2.gz APGLOVYUDZVHJN-UHFFFAOYSA-N 1 0 403.508 1.350 50 0 HDAARO CC[NH+](CC)CCNC(=O)[C@@H](C)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000065061439 569165178 /nfs/dbraw/zinc/16/51/78/569165178.db2.gz YJRRARIOUIDIEG-AWEZNQCLSA-N 1 0 414.572 1.786 50 0 HDAARO CS(=O)(=O)N1CCN(C(=O)C[N@H+](CCc2ccccc2)Cc2cccs2)CC1 ZINC000036396139 569169027 /nfs/dbraw/zinc/16/90/27/569169027.db2.gz GRHFSAIPNZASJY-UHFFFAOYSA-N 1 0 421.588 1.897 50 0 HDAARO COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000036624953 569212696 /nfs/dbraw/zinc/21/26/96/569212696.db2.gz AQESKMYBZBVJEQ-UHFFFAOYSA-N 1 0 419.547 1.911 50 0 HDAARO O=C(CN1c2ccc(F)cc2C(=O)N2CCC[C@@H]2C1=O)NCCC[NH+]1CCCC1 ZINC000065306873 569220748 /nfs/dbraw/zinc/22/07/48/569220748.db2.gz WVAMRJYAWIDDAR-GOSISDBHSA-N 1 0 402.470 1.379 50 0 HDAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCNC(=O)c2cccc3cccnc32)CC1 ZINC000239846227 569237226 /nfs/dbraw/zinc/23/72/26/569237226.db2.gz KZRQWQLSISTDAW-IBGZPJMESA-N 1 0 414.550 1.758 50 0 HDAARO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C1CC1 ZINC000170599437 569242732 /nfs/dbraw/zinc/24/27/32/569242732.db2.gz JPLUKDLANUMZGK-FQEVSTJZSA-N 1 0 406.486 1.717 50 0 HDAARO CCC(CC)(C[NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C(=O)OC ZINC000089943042 569269387 /nfs/dbraw/zinc/26/93/87/569269387.db2.gz HHINJMQPEDAUBN-INIZCTEOSA-N 1 0 402.557 1.514 50 0 HDAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCNC(=O)c2cccc3ncccc32)CC1 ZINC000252485080 569289173 /nfs/dbraw/zinc/28/91/73/569289173.db2.gz GNINXPUFKIBBHV-GOSISDBHSA-N 1 0 414.550 1.758 50 0 HDAARO O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(c2ccccn2)CC1 ZINC000252518189 569292402 /nfs/dbraw/zinc/29/24/02/569292402.db2.gz AGRBXZYUNFSTNC-GOSISDBHSA-N 1 0 407.474 1.835 50 0 HDAARO Cc1ccc(C)n1CC[NH+]1CCN(C(=O)C[C@@H]2NC(=O)N(c3ccccc3)C2=O)CC1 ZINC000252489730 569387525 /nfs/dbraw/zinc/38/75/25/569387525.db2.gz JYQCHCILGLNSPE-FQEVSTJZSA-N 1 0 423.517 1.969 50 0 HDAARO COc1ccc2cnn(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)c2c1OC ZINC000079190747 569429334 /nfs/dbraw/zinc/42/93/34/569429334.db2.gz BRCHZOIUDQYHQF-DOTOQJQBSA-N 1 0 414.506 1.794 50 0 biogenic HDAARO CN(C(=O)COc1coc(C[NH+]2CCCCCC2)cc1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000079491164 569432445 /nfs/dbraw/zinc/43/24/45/569432445.db2.gz IEVXGWZJODVBEZ-OAHLLOKOSA-N 1 0 412.508 1.040 50 0 HDAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@H]1c1ccccc1OCC ZINC000067286865 571065216 /nfs/dbraw/zinc/06/52/16/571065216.db2.gz POROYHBWZCOTHH-FQEVSTJZSA-N 1 0 416.522 1.894 50 0 HDAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@H]1c1ccccc1OC ZINC000067287614 571065797 /nfs/dbraw/zinc/06/57/97/571065797.db2.gz OUMJKOBRTSQGDE-IBGZPJMESA-N 1 0 402.495 1.504 50 0 HDAARO O=C(CNC(=O)c1cnc2ccccc2c1O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000040105407 571166182 /nfs/dbraw/zinc/16/61/82/571166182.db2.gz PDYWGCQCHXYFEE-QGZVFWFLSA-N 1 0 404.470 1.649 50 0 HDAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3nc4nc(C)cc(C)n4n3)cc2)CC1 ZINC000040115255 571173051 /nfs/dbraw/zinc/17/30/51/571173051.db2.gz WGRRCTCFYIFCBP-UHFFFAOYSA-N 1 0 407.522 1.809 50 0 HDAARO O=C(Cc1ccc(Cl)cc1)NCC(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008996462 571208852 /nfs/dbraw/zinc/20/88/52/571208852.db2.gz FBQFZSKDBOQGLT-UHFFFAOYSA-N 1 0 401.898 1.385 50 0 HDAARO C[C@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008996981 571209128 /nfs/dbraw/zinc/20/91/28/571209128.db2.gz QTNJIPMMQJMMSU-ZDUSSCGKSA-N 1 0 401.898 1.845 50 0 HDAARO Cn1c2ncn(CCCC(=O)Nc3ccc(C[NH+]4CCCC4)cc3)c2c(=O)n(C)c1=O ZINC000009157103 571231946 /nfs/dbraw/zinc/23/19/46/571231946.db2.gz LVADCTGWDRBVED-UHFFFAOYSA-N 1 0 424.505 1.448 50 0 HDAARO CCC[NH+]1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(OC)cc1OC)C2=O ZINC000009660745 571277430 /nfs/dbraw/zinc/27/74/30/571277430.db2.gz PMYSHVBZQLWSAZ-UHFFFAOYSA-N 1 0 404.467 1.439 50 0 HDAARO Cc1nn(CC(=O)NCCC[NH+]2CCCCC2)c(=O)c2cc(-c3ccccc3)nn21 ZINC000009727616 571282558 /nfs/dbraw/zinc/28/25/58/571282558.db2.gz PMDMCEHBGFCECU-UHFFFAOYSA-N 1 0 408.506 1.859 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1nc(C)n2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000009727922 571282659 /nfs/dbraw/zinc/28/26/59/571282659.db2.gz VWTXLLUPKHDCNB-QGZVFWFLSA-N 1 0 424.505 1.476 50 0 HDAARO Cc1c(C)n2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCC[N@H+](C)Cc1ccccc1 ZINC000010049463 571294617 /nfs/dbraw/zinc/29/46/17/571294617.db2.gz SYCFELABXFAOJU-UHFFFAOYSA-N 1 0 408.506 1.825 50 0 HDAARO Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccccc2F)c(=O)n3C)n1CC[NH+](C)C ZINC000010104054 571294952 /nfs/dbraw/zinc/29/49/52/571294952.db2.gz BNTIZZSVLRCYLJ-UHFFFAOYSA-N 1 0 412.469 1.515 50 0 HDAARO CCC[NH+]1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3ccccc3)CC1)C2=O ZINC000009573871 132234773 /nfs/dbraw/zinc/23/47/73/132234773.db2.gz FWAHCQASIPXFBT-UHFFFAOYSA-N 1 0 413.522 1.132 50 0 HDAARO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000008734782 132332706 /nfs/dbraw/zinc/33/27/06/132332706.db2.gz XLLGNFLIBBRIQO-KRWDZBQOSA-N 1 0 408.502 1.982 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000009049225 132335285 /nfs/dbraw/zinc/33/52/85/132335285.db2.gz PPHWWJCJQDCCCJ-MOPGFXCFSA-N 1 0 407.474 1.610 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000020566326 520562774 /nfs/dbraw/zinc/56/27/74/520562774.db2.gz BQBWRMQNBHJNQQ-KBEILRBXSA-N 1 0 406.280 1.990 50 0 HDAARO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC[NH+](C)C)cc21 ZINC000040450277 521155476 /nfs/dbraw/zinc/15/54/76/521155476.db2.gz FWLLRZOEVQMCPR-UHFFFAOYSA-N 1 0 404.330 1.588 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)[nH]c(=O)n(C(C)C)c3=O)CC1 ZINC000043044685 521681289 /nfs/dbraw/zinc/68/12/89/521681289.db2.gz DDQOLJOJXIFKJM-UHFFFAOYSA-N 1 0 401.511 1.028 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@@]21C(=O)Nc2c1ccc(C)c2C ZINC000020566281 523807088 /nfs/dbraw/zinc/80/70/88/523807088.db2.gz YFTBBHYIRIHMIZ-KGWSRGFLSA-N 1 0 417.531 1.423 50 0 HDAARO Cc1cc(C[NH+]2CCC(CNC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c(C)o1 ZINC000043972785 524675112 /nfs/dbraw/zinc/67/51/12/524675112.db2.gz YLRJETNMVNYHMK-UHFFFAOYSA-N 1 0 411.568 1.896 50 0 HDAARO C[C@@H]1Oc2ccccc2N(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1=O ZINC000032868923 525613764 /nfs/dbraw/zinc/61/37/64/525613764.db2.gz MOHSJYXXPCSERJ-KRWDZBQOSA-N 1 0 401.507 1.952 50 0 HDAARO O=C(NCC[NH+]1CCCCCC1)c1nc(Cn2nc(-c3ccccc3)ccc2=O)no1 ZINC000040455235 526310386 /nfs/dbraw/zinc/31/03/86/526310386.db2.gz WGPBBWCBOFUVHZ-UHFFFAOYSA-N 1 0 422.489 1.947 50 0 HDAARO O=C(CCNS(=O)(=O)c1cccnc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032655474 526513117 /nfs/dbraw/zinc/51/31/17/526513117.db2.gz WSJNIPUVDWYAMS-UHFFFAOYSA-N 1 0 402.520 1.531 50 0 HDAARO CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1ccco1 ZINC000002357390 557340164 /nfs/dbraw/zinc/34/01/64/557340164.db2.gz ZYZSZLFMTCDSCE-MOPGFXCFSA-N 1 0 410.474 1.804 50 0 HDAARO COc1ccccc1N1CCN(Cc2nc(C(=O)NCC[NH+]3CCCC3)co2)CC1 ZINC000034668578 557362238 /nfs/dbraw/zinc/36/22/38/557362238.db2.gz DICINZWTGMAVPC-UHFFFAOYSA-N 1 0 413.522 1.831 50 0 HDAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NCCN1CCOCC1 ZINC000034685304 557388223 /nfs/dbraw/zinc/38/82/23/557388223.db2.gz OYXHXKXFJWLWDU-UHFFFAOYSA-N 1 0 422.573 1.842 50 0 HDAARO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000004682439 557580817 /nfs/dbraw/zinc/58/08/17/557580817.db2.gz FFUITZZYGCXRLQ-MRXNPFEDSA-N 1 0 407.879 1.452 50 0 HDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)NCc2cccs2)c2ccc(F)cc2)CC1 ZINC000022795819 557822877 /nfs/dbraw/zinc/82/28/77/557822877.db2.gz XWDOASAJZQDISV-GOSISDBHSA-N 1 0 404.511 1.608 50 0 HDAARO CCOC(=O)c1sc(NC(=O)CCN2CC[NH+](C)CC2)c(C(=O)OCC)c1C ZINC000019790499 558282492 /nfs/dbraw/zinc/28/24/92/558282492.db2.gz REHCVGCBRGSYMC-UHFFFAOYSA-N 1 0 411.524 1.986 50 0 HDAARO COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+](C)C2CCOCC2)c1 ZINC000011838431 558285438 /nfs/dbraw/zinc/28/54/38/558285438.db2.gz CECVDPLJYATLPA-HXUWFJFHSA-N 1 0 408.539 1.502 50 0 HDAARO COc1ccccc1N(C[C@@H](O)CN1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000019891710 558303176 /nfs/dbraw/zinc/30/31/76/558303176.db2.gz ROEDVRJYHNDCCT-SFHVURJKSA-N 1 0 419.547 1.499 50 0 HDAARO COc1cccc(C[N@H+](C)CCn2ccnc2C)c1OC[C@H](O)CN1CCOCC1 ZINC000020205085 558346373 /nfs/dbraw/zinc/34/63/73/558346373.db2.gz HXGUCSMZFIEMRG-HXUWFJFHSA-N 1 0 418.538 1.404 50 0 HDAARO COc1cc(C[NH2+]CCc2ccncc2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000020256271 558352241 /nfs/dbraw/zinc/35/22/41/558352241.db2.gz OMCNCQVIMIQQGY-FQEVSTJZSA-N 1 0 401.507 1.494 50 0 HDAARO Cn1c2cn(CCC[NH+]3CCOCC3)c(-c3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000020677821 558400383 /nfs/dbraw/zinc/40/03/83/558400383.db2.gz NUAYRRBXAUIHQZ-UHFFFAOYSA-N 1 0 400.454 1.567 50 0 HDAARO COCCC(=O)N1CCC(Oc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000012582368 558432914 /nfs/dbraw/zinc/43/29/14/558432914.db2.gz IRTBMVLGUAWDPI-UHFFFAOYSA-N 1 0 403.523 1.919 50 0 HDAARO COc1cc(C[NH2+]CC2(O)CCCCC2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012709451 558451723 /nfs/dbraw/zinc/45/17/23/558451723.db2.gz CMAZAGUOGOXSCC-IBGZPJMESA-N 1 0 408.539 1.552 50 0 HDAARO NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCN(c3ccc(O)cc3)CC2)c1 ZINC000022197763 558466352 /nfs/dbraw/zinc/46/63/52/558466352.db2.gz STTMGGCRRJCFOK-UHFFFAOYSA-N 1 0 404.492 1.190 50 0 HDAARO CCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000012987555 558495807 /nfs/dbraw/zinc/49/58/07/558495807.db2.gz BRXJYOYOXJJSTE-GOSISDBHSA-N 1 0 411.568 1.804 50 0 HDAARO O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022754288 558507823 /nfs/dbraw/zinc/50/78/23/558507823.db2.gz WWDDORVBPJECTN-UHFFFAOYSA-N 1 0 400.479 1.253 50 0 HDAARO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000010891859 558542663 /nfs/dbraw/zinc/54/26/63/558542663.db2.gz YHUJTJZECYWGPN-UHFFFAOYSA-N 1 0 412.556 1.681 50 0 HDAARO O=C(NCCC[NH+]1CCCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000023236929 558544651 /nfs/dbraw/zinc/54/46/51/558544651.db2.gz IWRRVXQCFPMPSG-UHFFFAOYSA-N 1 0 409.552 1.703 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccn1 ZINC000013729042 558585606 /nfs/dbraw/zinc/58/56/06/558585606.db2.gz YPHHPHYYQNAXCD-QGZVFWFLSA-N 1 0 409.490 1.551 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccn1 ZINC000013729045 558585683 /nfs/dbraw/zinc/58/56/83/558585683.db2.gz YPHHPHYYQNAXCD-KRWDZBQOSA-N 1 0 409.490 1.551 50 0 HDAARO CC(C)[NH+](CCNCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)C(C)C ZINC000025539829 558643368 /nfs/dbraw/zinc/64/33/68/558643368.db2.gz HSMLGLFAFYJIHJ-UHFFFAOYSA-N 1 0 415.538 1.069 50 0 HDAARO CC(C)[C@H]1NC(=O)[C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)s3)CCN2C1=O ZINC000014536371 558658235 /nfs/dbraw/zinc/65/82/35/558658235.db2.gz VXBGHEIRBMEGPO-RTBURBONSA-N 1 0 404.580 1.901 50 0 HDAARO O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccccc2)C1 ZINC000014539601 558659215 /nfs/dbraw/zinc/65/92/15/558659215.db2.gz WXEQPHSDHGCLRX-VSKRKVRLSA-N 1 0 401.551 1.752 50 0 HDAARO Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(F)c1)C2 ZINC000014733508 558666181 /nfs/dbraw/zinc/66/61/81/558666181.db2.gz LFGVQLNHYSVYAK-GOSISDBHSA-N 1 0 415.513 1.268 50 0 HDAARO COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027607014 558677267 /nfs/dbraw/zinc/67/72/67/558677267.db2.gz ZKIDLKMZXDVCAE-HNNXBMFYSA-N 1 0 409.533 1.971 50 0 HDAARO CCOc1cc(C[N@@H+]2CCC[C@H](n3cc(C(=O)NCCCO)nn3)C2)ccc1OC ZINC000014993172 558695230 /nfs/dbraw/zinc/69/52/30/558695230.db2.gz GWJPNBLSGFEPBL-KRWDZBQOSA-N 1 0 417.510 1.635 50 0 HDAARO C[NH+]1CCN(c2nc(-c3cccs3)ccc2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000014994225 558695609 /nfs/dbraw/zinc/69/56/09/558695609.db2.gz YJQZAIDJZLWPPQ-CQSZACIVSA-N 1 0 420.560 1.479 50 0 HDAARO CC(=O)NCCNC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000015065223 558708085 /nfs/dbraw/zinc/70/80/85/558708085.db2.gz HMAKLACHYLQHDC-UHFFFAOYSA-N 1 0 400.567 1.924 50 0 HDAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@@]21c2cccc(Cl)c2NC1=O ZINC000016022163 558767972 /nfs/dbraw/zinc/76/79/72/558767972.db2.gz VMUILMMGAYMIOF-VPPZWFAISA-N 1 0 418.881 1.124 50 0 HDAARO O=C(CCCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCCN1CCOCC1 ZINC000032995434 558810265 /nfs/dbraw/zinc/81/02/65/558810265.db2.gz QPSIEFHNZGIPGQ-UHFFFAOYSA-N 1 0 421.498 1.701 50 0 HDAARO Cc1cccc(CNC(=O)c2ccc(N3CC[NH2+]CC3)c(NS(C)(=O)=O)c2)c1 ZINC000033034361 558858546 /nfs/dbraw/zinc/85/85/46/558858546.db2.gz OZCXOIWPOYCIKO-UHFFFAOYSA-N 1 0 402.520 1.706 50 0 HDAARO Nc1nnc(SCc2cc(=O)[nH]c(N3CC[NH+](Cc4ccccc4)CC3)n2)s1 ZINC000054274494 558867229 /nfs/dbraw/zinc/86/72/29/558867229.db2.gz YCLTVLXPCPONBS-UHFFFAOYSA-N 1 0 415.548 1.818 50 0 HDAARO Nc1ncc(CN2CCC([NH+]3CCC(C(=O)NCc4ccccn4)CC3)CC2)cn1 ZINC000055243668 558877109 /nfs/dbraw/zinc/87/71/09/558877109.db2.gz ZTIUINGWUHGKGC-UHFFFAOYSA-N 1 0 409.538 1.447 50 0 HDAARO Cc1c(C(=O)NCCCN2CCOCC2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048205 558884637 /nfs/dbraw/zinc/88/46/37/558884637.db2.gz WOOQPPAPAROMSU-UHFFFAOYSA-N 1 0 418.567 1.204 50 0 HDAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000058085751 558898208 /nfs/dbraw/zinc/89/82/08/558898208.db2.gz AMENKASECAZXNE-UHFFFAOYSA-N 1 0 415.559 1.909 50 0 HDAARO O=C(Cc1cccnc1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071639424 558906191 /nfs/dbraw/zinc/90/61/91/558906191.db2.gz MGSUCTFTOLEQSV-IBGZPJMESA-N 1 0 400.523 1.186 50 0 HDAARO CN(C)c1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)ncn1 ZINC000071745787 558908384 /nfs/dbraw/zinc/90/83/84/558908384.db2.gz VOEYWZUZNKMVCH-KRWDZBQOSA-N 1 0 402.543 1.082 50 0 HDAARO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCN2CC[NH+](C)CC2)c(C)c1 ZINC000058175409 558909227 /nfs/dbraw/zinc/90/92/27/558909227.db2.gz IFCRGVBSXJRYLS-LJQANCHMSA-N 1 0 422.595 1.129 50 0 HDAARO Cn1ccn2ncc(C(=O)N3CCC([N@@H+]4CCC[C@@H](C(=O)N5CCCC5)C4)CC3)c12 ZINC000071763780 558910343 /nfs/dbraw/zinc/91/03/43/558910343.db2.gz AXODPGPXIZZRGO-QGZVFWFLSA-N 1 0 412.538 1.612 50 0 HDAARO CCn1c2ccccc2n(CC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(=O)c1=O ZINC000033068495 558962899 /nfs/dbraw/zinc/96/28/99/558962899.db2.gz KUJYOMUJTMANRO-UHFFFAOYSA-N 1 0 420.513 1.748 50 0 HDAARO CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000065362026 558972549 /nfs/dbraw/zinc/97/25/49/558972549.db2.gz RYJGPDQXOLUHHK-UHFFFAOYSA-N 1 0 423.579 1.838 50 0 HDAARO O=C1N(CCc2ccccc2)CCC[C@@]1(O)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000067804807 558993170 /nfs/dbraw/zinc/99/31/70/558993170.db2.gz GWPTUYJGIZHFKC-HSZRJFAPSA-N 1 0 409.534 1.585 50 0 HDAARO Cc1c[nH]c(C(=O)N2CCC3(CN(CCN4CC[C@H]([NH+](C)C)C4)C(=O)O3)CC2)c1 ZINC000077487717 559007125 /nfs/dbraw/zinc/00/71/25/559007125.db2.gz HTHZJPJMBHAUPS-KRWDZBQOSA-N 1 0 403.527 1.386 50 0 HDAARO Cn1ncnc1CCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082092177 559037176 /nfs/dbraw/zinc/03/71/76/559037176.db2.gz MOTAHOPTPORWDZ-LJQANCHMSA-N 1 0 411.554 1.245 50 0 HDAARO CNc1ccnc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000082126824 559039798 /nfs/dbraw/zinc/03/97/98/559039798.db2.gz PAWBQPZVXRVLOR-SFHVURJKSA-N 1 0 409.538 1.911 50 0 HDAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3cnccn3)CC2)C1 ZINC000082155698 559041378 /nfs/dbraw/zinc/04/13/78/559041378.db2.gz REEYTYWEOIBRID-QGZVFWFLSA-N 1 0 408.506 1.505 50 0 HDAARO O=C(Cn1ccnc1)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082156224 559041385 /nfs/dbraw/zinc/04/13/85/559041385.db2.gz QLVGFZSQUVXSFT-GOSISDBHSA-N 1 0 410.522 1.298 50 0 HDAARO CC(C)S(=O)(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082156945 559041494 /nfs/dbraw/zinc/04/14/94/559041494.db2.gz XDPSQNITVNIMLX-QGZVFWFLSA-N 1 0 408.568 1.612 50 0 HDAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCOC)c2=O ZINC000004791403 559065715 /nfs/dbraw/zinc/06/57/15/559065715.db2.gz MDWQFTYRLQRVOP-KRWDZBQOSA-N 1 0 416.522 1.721 50 0 HDAARO Cc1ccn2c(c1)nc(C(=O)N1CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C1)c2F ZINC000091425822 559071491 /nfs/dbraw/zinc/07/14/91/559071491.db2.gz XNTKDCOCTHQXBU-SJORKVTESA-N 1 0 404.486 1.717 50 0 HDAARO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1 ZINC000091907765 559074551 /nfs/dbraw/zinc/07/45/51/559074551.db2.gz QDLYADVCJCTMQK-IBGZPJMESA-N 1 0 401.555 1.989 50 0 HDAARO CN1CC[NH+]([C@H]2CCN(C(=O)c3nc4cc(F)ccc4[nH]3)C[C@H]2CCCO)CC1 ZINC000095385404 559080636 /nfs/dbraw/zinc/08/06/36/559080636.db2.gz CQMHLASGDDLFLP-BEFAXECRSA-N 1 0 403.502 1.553 50 0 HDAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000095496673 559081540 /nfs/dbraw/zinc/08/15/40/559081540.db2.gz DPMODWAXWBONKV-MRXNPFEDSA-N 1 0 402.470 1.089 50 0 HDAARO C[NH+](C)CC(=O)N1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000095507340 559083252 /nfs/dbraw/zinc/08/32/52/559083252.db2.gz ZARIDTQRBVTCRW-OAQYLSRUSA-N 1 0 400.567 1.911 50 0 HDAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccn3nnnc3c2)CC1 ZINC000096166253 559100982 /nfs/dbraw/zinc/10/09/82/559100982.db2.gz DANZXFYZSOCGAP-SFHVURJKSA-N 1 0 402.499 1.104 50 0 HDAARO COCC[N@@H+](Cc1cccn1Cc1cccc(F)c1)C[C@@H](O)CN1CCOCC1 ZINC000004927602 559207964 /nfs/dbraw/zinc/20/79/64/559207964.db2.gz GZCGRKKKXIRCJI-QFIPXVFZSA-N 1 0 405.514 1.817 50 0 HDAARO Cc1ccc(C)n1CC[NH+]1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 ZINC000409414722 559250182 /nfs/dbraw/zinc/25/01/82/559250182.db2.gz VKRXGQMZQCAZLZ-FQEVSTJZSA-N 1 0 423.517 1.390 50 0 HDAARO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C ZINC000011998468 559270394 /nfs/dbraw/zinc/27/03/94/559270394.db2.gz UVCKXOZWTZBBGO-AWEZNQCLSA-N 1 0 417.553 1.070 50 0 HDAARO CC(C)(CNc1c(=O)c(=O)c1N1CCN(Cc2ccccc2)CC1)N1CCOCC1 ZINC000101704287 560798473 /nfs/dbraw/zinc/79/84/73/560798473.db2.gz VDEWBPDGTYJTGH-UHFFFAOYSA-N 1 0 412.534 1.128 50 0 HDAARO CCN1CCC[C@H]1C[NH2+][C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000103416378 560842044 /nfs/dbraw/zinc/84/20/44/560842044.db2.gz QNVUULNMKWCSKY-AEFFLSMTSA-N 1 0 408.568 1.872 50 0 HDAARO COCCN(C[C@H]1CN(C[C@H](O)COCC(C)C)CCO1)C(=O)c1ccccc1 ZINC000105022077 560860244 /nfs/dbraw/zinc/86/02/44/560860244.db2.gz DJTZKCRBJCKUIX-LEWJYISDSA-N 1 0 408.539 1.510 50 0 HDAARO CCOc1ccc([C@@H](c2c(O)cc(C)n(CC)c2=O)N2CC[NH+](CCO)CC2)cc1 ZINC000022697304 568415481 /nfs/dbraw/zinc/41/54/81/568415481.db2.gz QCWUPVDFUKMQIB-QFIPXVFZSA-N 1 0 415.534 1.980 50 0 HDAARO CCOc1ccc([C@H](c2c(O)cc(C)n(CC)c2=O)N2CC[NH+](CCO)CC2)cc1 ZINC000022697301 568415490 /nfs/dbraw/zinc/41/54/90/568415490.db2.gz QCWUPVDFUKMQIB-JOCHJYFZSA-N 1 0 415.534 1.980 50 0 HDAARO CCNC(=O)COc1ccc(CNC(=O)NCCCC[NH+]2CCCC2)cc1OC ZINC000045818496 568421131 /nfs/dbraw/zinc/42/11/31/568421131.db2.gz GMBFSITULMAIBM-UHFFFAOYSA-N 1 0 406.527 1.885 50 0 HDAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)CCn3nnc4ccccc4c3=O)cn2)CC1 ZINC000048236112 568432972 /nfs/dbraw/zinc/43/29/72/568432972.db2.gz QHTDYBARFXNBJV-UHFFFAOYSA-N 1 0 421.505 1.035 50 0 HDAARO Cn1c(=O)cc(OCCCC(=O)NCCCN2CC[NH+](C)CC2)c2ccccc21 ZINC000020280395 568596644 /nfs/dbraw/zinc/59/66/44/568596644.db2.gz UUJJCPWCBFKVDJ-UHFFFAOYSA-N 1 0 400.523 1.451 50 0 HDAARO CN(C[C@H](O)C[NH+]1CCc2ccccc2CC1)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000095446576 568611940 /nfs/dbraw/zinc/61/19/40/568611940.db2.gz YHQJLKRKLSLEFQ-FQEVSTJZSA-N 1 0 416.543 1.624 50 0 HDAARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1 ZINC000020614250 568637899 /nfs/dbraw/zinc/63/78/99/568637899.db2.gz OETGIDMRWPAHAV-LJQANCHMSA-N 1 0 424.501 1.767 50 0 HDAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000020763972 568643037 /nfs/dbraw/zinc/64/30/37/568643037.db2.gz ZAJLJQFHDKAFCJ-UHFFFAOYSA-N 1 0 416.478 1.922 50 0 HDAARO Cc1noc2ncn(CC(=O)NCC3CC[NH+](Cc4ccc(F)cc4)CC3)c(=O)c12 ZINC000020941853 568652992 /nfs/dbraw/zinc/65/29/92/568652992.db2.gz LXZROWAZGWLOQN-UHFFFAOYSA-N 1 0 413.453 1.860 50 0 HDAARO O=C(CCc1nc(CS(=O)(=O)c2ccccc2)no1)NCCC[NH+]1CCCC1 ZINC000021096967 568665037 /nfs/dbraw/zinc/66/50/37/568665037.db2.gz PVWLAQYEUWGNJI-UHFFFAOYSA-N 1 0 406.508 1.578 50 0 HDAARO CCC[NH+](CCC)CCNC(=O)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1 ZINC000021927191 568761256 /nfs/dbraw/zinc/76/12/56/568761256.db2.gz OYSCHYCACJFGEY-OAHLLOKOSA-N 1 0 408.572 1.872 50 0 HDAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cccc(OC)c2OC)CC(=O)N3)CC1 ZINC000670416101 568767424 /nfs/dbraw/zinc/76/74/24/568767424.db2.gz KXFCAEYDDZCMEG-AWEZNQCLSA-N 1 0 413.478 1.815 50 0 HDAARO C[NH+]1CCN([C@@H](CNS(=O)(=O)c2cccs2)c2ccc3c(c2)OCO3)CC1 ZINC000022577322 568770218 /nfs/dbraw/zinc/77/02/18/568770218.db2.gz RIPWYVYKDVMLGZ-HNNXBMFYSA-N 1 0 409.533 1.744 50 0 HDAARO C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)C3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000003170998 568859511 /nfs/dbraw/zinc/85/95/11/568859511.db2.gz XDBPWDGWNAPYKQ-HOTGVXAUSA-N 1 0 409.552 1.651 50 0 HDAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000299779775 568874960 /nfs/dbraw/zinc/87/49/60/568874960.db2.gz SRPKURONECTVIO-HXUWFJFHSA-N 1 0 402.470 1.862 50 0 HDAARO Cc1nc(C)c(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)s1 ZINC000299779812 568875006 /nfs/dbraw/zinc/87/50/06/568875006.db2.gz LDIYOAVKRGHXHJ-GOSISDBHSA-N 1 0 420.579 1.839 50 0 HDAARO O=C(Cc1ccsc1)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299782050 568875091 /nfs/dbraw/zinc/87/50/91/568875091.db2.gz UKZSMZXQCXHXSZ-IBGZPJMESA-N 1 0 405.564 1.756 50 0 HDAARO O=C(Cc1ccccc1F)NC[C@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1 ZINC000299782220 568875251 /nfs/dbraw/zinc/87/52/51/568875251.db2.gz SIHUVXIFLUOYND-IBGZPJMESA-N 1 0 403.498 1.729 50 0 HDAARO CN(C)c1ccnc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299801054 568876692 /nfs/dbraw/zinc/87/66/92/568876692.db2.gz YBSIHWKGFKQUSX-SFHVURJKSA-N 1 0 402.543 1.304 50 0 HDAARO Cc1cccc2nc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)C[N@H+](C4)CC5)cn21 ZINC000670450900 568926696 /nfs/dbraw/zinc/92/66/96/568926696.db2.gz CKDGKHHJTRHQAJ-IGSLEHJCSA-N 1 0 401.514 1.940 50 0 HDAARO CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](C[NH+]3CCCCC3)[C@H]1[C@@H]2O ZINC000004083171 568939326 /nfs/dbraw/zinc/93/93/26/568939326.db2.gz VHWHLUAIVKKCCK-YFYCBITGSA-N 1 0 409.523 1.350 50 0 biogenic HDAARO CC(C)[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000004084011 568939466 /nfs/dbraw/zinc/93/94/66/568939466.db2.gz KHXXCMYWWWENOE-GJYPPUQNSA-N 1 0 402.539 1.590 50 0 biogenic HDAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)c(C)c1C ZINC000015671241 568961861 /nfs/dbraw/zinc/96/18/61/568961861.db2.gz MBAQKHYXXHNZFT-UHFFFAOYSA-N 1 0 419.551 1.987 50 0 HDAARO Cn1nc2c(c1C(=O)N[C@H]1C3CN4CC1(c1ccccc1)C[N@H+](C3)CC4)CCCC2 ZINC000670465159 568968739 /nfs/dbraw/zinc/96/87/39/568968739.db2.gz YNGGXARKFGJKBE-NZAVSEOKSA-N 1 0 405.546 1.596 50 0 HDAARO COc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000012813901 568987840 /nfs/dbraw/zinc/98/78/40/568987840.db2.gz WOBGNQOLUXPJAV-UHFFFAOYSA-N 1 0 407.536 1.836 50 0 HDAARO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1 ZINC000015864241 569016416 /nfs/dbraw/zinc/01/64/16/569016416.db2.gz JFRYMSIZTMWTAN-UHFFFAOYSA-N 1 0 421.494 1.457 50 0 HDAARO C[C@@H]1Oc2ccccc2N(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1=O ZINC000242292580 569055069 /nfs/dbraw/zinc/05/50/69/569055069.db2.gz YNLHLKONCYNHNY-KVSKMBFKSA-N 1 0 401.507 1.685 50 0 HDAARO C[N@@H+]1CCN2c3ccccc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)[C@H]2C1 ZINC000245329448 569055954 /nfs/dbraw/zinc/05/59/54/569055954.db2.gz ZCGAAJZZWYCMKO-XMSQKQJNSA-N 1 0 408.433 1.772 50 0 HDAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCN(CCOC)C(=O)c1cnc(C)cn1 ZINC000035819183 569061422 /nfs/dbraw/zinc/06/14/22/569061422.db2.gz OLDWQOLJOIMRLW-QGZVFWFLSA-N 1 0 407.559 1.890 50 0 HDAARO Cn1c(SCc2cc(=O)n3nc(C4CC4)sc3n2)nnc1[C@H]1CCC[NH2+]C1 ZINC000426425440 569072945 /nfs/dbraw/zinc/07/29/45/569072945.db2.gz NUYOUQPKRRVDLG-NSHDSACASA-N 1 0 403.537 1.916 50 0 HDAARO COc1ccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COCC(C)C)cc1OC ZINC000036095574 569089930 /nfs/dbraw/zinc/08/99/30/569089930.db2.gz STBMEXQVWDEWHY-HXUWFJFHSA-N 1 0 410.555 1.872 50 0 HDAARO O=C(NCCC[NH+]1CCCCCC1)c1cc(=O)nc2sc(N3CCCC3)nn21 ZINC000064837015 569104985 /nfs/dbraw/zinc/10/49/85/569104985.db2.gz ZIGJRASLLBHOPF-UHFFFAOYSA-N 1 0 404.540 1.747 50 0 HDAARO CC1CC[NH+](CCNC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)CC1 ZINC000064966888 569137613 /nfs/dbraw/zinc/13/76/13/569137613.db2.gz XDHFJIQMAODCDX-UHFFFAOYSA-N 1 0 405.886 1.046 50 0 HDAARO CCS(=O)(=O)Nc1cnc(N2CC[NH2+]CC2)c(C(=O)NCc2ccccc2)c1 ZINC000065025150 569156172 /nfs/dbraw/zinc/15/61/72/569156172.db2.gz AVCHMXALUDDMPN-UHFFFAOYSA-N 1 0 403.508 1.183 50 0 HDAARO CC(C)NC(=O)c1cc(NS(=O)(=O)c2ccccc2)cnc1N1CC[NH2+]CC1 ZINC000065025137 569156219 /nfs/dbraw/zinc/15/62/19/569156219.db2.gz QLPLHENVXBZHQT-UHFFFAOYSA-N 1 0 403.508 1.430 50 0 HDAARO CN(C)S(=O)(=O)c1ccc(-c2nnc(C(=O)NCCC[NH+]3CCCCC3)o2)cc1 ZINC000065114000 569180891 /nfs/dbraw/zinc/18/08/91/569180891.db2.gz IBSPCIVHCMJIHF-UHFFFAOYSA-N 1 0 421.523 1.593 50 0 HDAARO CCC[NH+]1CCN(C(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)CC1 ZINC000065226754 569200102 /nfs/dbraw/zinc/20/01/02/569200102.db2.gz DNPCMGQJUUGENF-UHFFFAOYSA-N 1 0 402.543 1.084 50 0 HDAARO CCCCn1c2nc(COC(=O)[C@H](C(C)C)[NH+](C)C)n(CCC)c2c(=O)[nH]c1=O ZINC000170622067 569249278 /nfs/dbraw/zinc/24/92/78/569249278.db2.gz SJYAEMLDDZYCIG-HNNXBMFYSA-N 1 0 407.515 1.726 50 0 HDAARO NC(=O)c1nn(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c(=O)c2ccccc21 ZINC000010027727 569252921 /nfs/dbraw/zinc/25/29/21/569252921.db2.gz WQLARWOUDATAPO-UHFFFAOYSA-N 1 0 419.485 1.408 50 0 HDAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000011873602 569291540 /nfs/dbraw/zinc/29/15/40/569291540.db2.gz DXHKNTCFGYEAFN-UHFFFAOYSA-N 1 0 402.495 1.848 50 0 HDAARO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000170645330 569292010 /nfs/dbraw/zinc/29/20/10/569292010.db2.gz BDEAKUSBFYUAKV-QGZVFWFLSA-N 1 0 404.536 1.657 50 0 HDAARO COc1ccc(C(=O)NCC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1OC ZINC000027593130 569375604 /nfs/dbraw/zinc/37/56/04/569375604.db2.gz FFTBCJIONZCBNS-QGZVFWFLSA-N 1 0 403.454 1.992 50 0 HDAARO CCOCC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCOC2)C[C@H]1C ZINC000253630118 569383315 /nfs/dbraw/zinc/38/33/15/569383315.db2.gz HXQYUYOWEPXJMY-QZTJIDSGSA-N 1 0 402.543 1.867 50 0 HDAARO C[C@H]([NH2+]CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)c1ccccc1 ZINC000013040353 569408021 /nfs/dbraw/zinc/40/80/21/569408021.db2.gz HDGROSRDZIUFLA-HNNXBMFYSA-N 1 0 407.474 1.481 50 0 HDAARO CCCC(=O)N1CSC[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000079025038 569424706 /nfs/dbraw/zinc/42/47/06/569424706.db2.gz SBSXRFCBUQXFJV-MRXNPFEDSA-N 1 0 412.600 1.431 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067285885 571064632 /nfs/dbraw/zinc/06/46/32/571064632.db2.gz JXMFDZIVRYBXDE-LJQANCHMSA-N 1 0 418.494 1.122 50 0 HDAARO CCOc1ccc([C@H]2NC(=O)N=C(CN3CCC[N@H+](C)CC3)C2C(=O)OC)cc1 ZINC000067287211 571064909 /nfs/dbraw/zinc/06/49/09/571064909.db2.gz YGDKMQAADCQHSH-LJQANCHMSA-N 1 0 402.495 1.504 50 0 HDAARO CCOc1ccccc1[C@@H]1NC(=O)NC(CN2CCC[N@H+](C)CC2)=C1C(=O)OC ZINC000067287913 571065829 /nfs/dbraw/zinc/06/58/29/571065829.db2.gz YGTHEMCWVYKOLB-IBGZPJMESA-N 1 0 402.495 1.504 50 0 HDAARO Cc1c(C)n2c(nc3c2c(=O)n(C)c(=O)n3C)n1CC[N@@H+]1CCc2ccccc2C1 ZINC000008725400 571108177 /nfs/dbraw/zinc/10/81/77/571108177.db2.gz GZTWXTXWZNAFNB-UHFFFAOYSA-N 1 0 406.490 1.362 50 0 HDAARO O=C(CCNC(=O)c1cccc(Cl)c1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008913986 571150241 /nfs/dbraw/zinc/15/02/41/571150241.db2.gz UCROZUWVORGLRN-UHFFFAOYSA-N 1 0 401.898 1.847 50 0 HDAARO COc1ccc(OC)c(N2C[C@H](C(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2=O)c1 ZINC000040086632 571157057 /nfs/dbraw/zinc/15/70/57/571157057.db2.gz CRKZZWQTXJVRRP-YESZJQIVSA-N 1 0 419.522 1.672 50 0 HDAARO CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008996696 571208725 /nfs/dbraw/zinc/20/87/25/571208725.db2.gz MEFPCADWLCGDLH-HNNXBMFYSA-N 1 0 417.535 1.518 50 0 HDAARO CC1=NN(CC[NH+]2CCCCC2)c2nc3c(c(=O)n(CCC(C)C)c(=O)n3C)n2C1 ZINC000009059979 571217188 /nfs/dbraw/zinc/21/71/88/571217188.db2.gz CJSGTKVZXYEOSA-UHFFFAOYSA-N 1 0 415.542 1.625 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)CC1 ZINC000012586192 1075833630 /nfs/dbraw/zinc/83/36/30/1075833630.db2.gz LEHVBJSOPUVJQC-KRWDZBQOSA-N 1 0 404.555 1.500 50 0 HDAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)NCCN4CCOCC4)c(C)c32)CC1 ZINC000033048341 132501568 /nfs/dbraw/zinc/50/15/68/132501568.db2.gz RADONDSIWJDJAY-UHFFFAOYSA-N 1 0 418.567 1.204 50 0 HDAARO CC(C)c1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C[C@H]2CCCO2)cc1 ZINC000045974388 519838342 /nfs/dbraw/zinc/83/83/42/519838342.db2.gz LDTLNWMMWCGHEV-GOSISDBHSA-N 1 0 409.552 1.412 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(Cn2nc(-c3ccccc3)ccc2=O)no1 ZINC000040455194 521639004 /nfs/dbraw/zinc/63/90/04/521639004.db2.gz RMSJNADOPYVDHI-MRXNPFEDSA-N 1 0 408.462 1.556 50 0 HDAARO C[NH+](C)[C@H]1CCN(CCN2CC3(CCN(C(=O)c4cccc(O)c4)CC3)OC2=O)C1 ZINC000072470132 522104639 /nfs/dbraw/zinc/10/46/39/522104639.db2.gz DZFJBJWLMNBPDV-SFHVURJKSA-N 1 0 416.522 1.455 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000020567194 523291299 /nfs/dbraw/zinc/29/12/99/523291299.db2.gz CDIXBQRWOTYOAO-ZKNHNOBHSA-N 1 0 405.882 1.753 50 0 HDAARO CCc1ccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000045974800 523922907 /nfs/dbraw/zinc/92/29/07/523922907.db2.gz FEXMODBVFZYTAP-UHFFFAOYSA-N 1 0 401.532 1.872 50 0 HDAARO Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2)n1 ZINC000040267945 524477639 /nfs/dbraw/zinc/47/76/39/524477639.db2.gz ANJWYAGQHFLSRP-UHFFFAOYSA-N 1 0 420.517 1.827 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000009049238 535501856 /nfs/dbraw/zinc/50/18/56/535501856.db2.gz PPHWWJCJQDCCCJ-RBUKOAKNSA-N 1 0 407.474 1.610 50 0 HDAARO COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022778582 557821328 /nfs/dbraw/zinc/82/13/28/557821328.db2.gz PCQAJEFGMJEFER-GCJKJVERSA-N 1 0 424.545 1.977 50 0 HDAARO COc1ccc([C@@H](CNS(=O)(=O)c2ccc(OC)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022795035 557822277 /nfs/dbraw/zinc/82/22/77/557822277.db2.gz KWEDHJVPFCRMLZ-OAQYLSRUSA-N 1 0 419.547 1.971 50 0 HDAARO COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022796536 557823370 /nfs/dbraw/zinc/82/33/70/557823370.db2.gz OEUIZXWSHDMBAL-JOCHJYFZSA-N 1 0 424.545 1.725 50 0 HDAARO Cn1ccc(CC(=O)N2CC[C@@H](N3CC[NH+](CCc4ccccc4)CC3)[C@H](O)C2)c1 ZINC000019732527 558259738 /nfs/dbraw/zinc/25/97/38/558259738.db2.gz WTNGNFJHMKENES-DHIUTWEWSA-N 1 0 410.562 1.390 50 0 HDAARO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cccc(C)n1)CC2 ZINC000019740366 558261139 /nfs/dbraw/zinc/26/11/39/558261139.db2.gz UCDXKWKUWOUENV-GOSISDBHSA-N 1 0 400.527 1.890 50 0 HDAARO C[NH+]1CCN(CCNC(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1 ZINC000019792254 558282984 /nfs/dbraw/zinc/28/29/84/558282984.db2.gz DQRHKKOCOYIJOR-SFHVURJKSA-N 1 0 406.958 1.485 50 0 HDAARO CCOC(=O)C[C@@H]1COCCN1C(=O)c1ccc(OC2CC[NH+](C)CC2)c(OC)c1 ZINC000012027447 558310361 /nfs/dbraw/zinc/31/03/61/558310361.db2.gz JNHPQGJZRVPEMW-QGZVFWFLSA-N 1 0 420.506 1.962 50 0 HDAARO COc1cccc([C@@]2(CC(=O)N(C)CC(C)C)CC(=O)N(CC[NH+](C)C)C2=O)c1 ZINC000012037020 558312148 /nfs/dbraw/zinc/31/21/48/558312148.db2.gz VJQLVCGRNCEDEG-JOCHJYFZSA-N 1 0 403.523 1.758 50 0 HDAARO COc1cccc(C[N@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c1 ZINC000012127450 558331557 /nfs/dbraw/zinc/33/15/57/558331557.db2.gz BFCOYGSAWACJMJ-SFHVURJKSA-N 1 0 407.540 1.591 50 0 HDAARO CCOC(=O)c1c(NC(=O)CN2CC[NH+](CC)CC2)c2cc(OC)ccc2n1C ZINC000020478397 558374796 /nfs/dbraw/zinc/37/47/96/558374796.db2.gz BZFPVLIHNZCNOR-UHFFFAOYSA-N 1 0 402.495 1.940 50 0 HDAARO Cc1cccn2c(C[NH2+]CCN3CCCC[C@@H]3CO)c(C(=O)N3CCOCC3)nc12 ZINC000020996361 558426748 /nfs/dbraw/zinc/42/67/48/558426748.db2.gz ZIHPTDVTNZTCHZ-GOSISDBHSA-N 1 0 415.538 1.052 50 0 HDAARO COc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012835947 558478087 /nfs/dbraw/zinc/47/80/87/558478087.db2.gz PSXHEZPNHRAKAG-INIZCTEOSA-N 1 0 410.536 1.864 50 0 HDAARO COc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012835945 558478199 /nfs/dbraw/zinc/47/81/99/558478199.db2.gz PSXHEZPNHRAKAG-MRXNPFEDSA-N 1 0 410.536 1.864 50 0 HDAARO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(Cc3ccc(Cl)s3)CC1)C2=O ZINC000023257529 558546547 /nfs/dbraw/zinc/54/65/47/558546547.db2.gz SDKQCUVHSMKLRQ-UHFFFAOYSA-N 1 0 411.959 1.493 50 0 HDAARO CC[NH+](CC)CCCNC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@@H]13)O2 ZINC000013623537 558550150 /nfs/dbraw/zinc/55/01/50/558550150.db2.gz XGTPJIBZUWTHLC-GLHSZLCASA-N 1 0 413.518 1.830 50 0 HDAARO Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCCC[NH+](C)C)c2ccco2)cc1 ZINC000004519013 558648405 /nfs/dbraw/zinc/64/84/05/558648405.db2.gz JXMYYUFZQGGIDD-GOSISDBHSA-N 1 0 421.519 1.287 50 0 HDAARO O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccccc2)C1 ZINC000014539602 558659467 /nfs/dbraw/zinc/65/94/67/558659467.db2.gz WXEQPHSDHGCLRX-YPAWHYETSA-N 1 0 401.551 1.752 50 0 HDAARO CCC[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3cnn(-c4cccc(Cl)c4)c3)CN2C1=O ZINC000014540199 558659709 /nfs/dbraw/zinc/65/97/09/558659709.db2.gz UYUKMLDFDGJSFW-SZMVWBNQSA-N 1 0 401.898 1.883 50 0 HDAARO COc1cccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)c1 ZINC000014741734 558667155 /nfs/dbraw/zinc/66/71/55/558667155.db2.gz OQQSUHMHGANRKR-JBACZVJFSA-N 1 0 409.486 1.470 50 0 HDAARO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+](CCC(N)=O)CC3)C2=O)cc1 ZINC000014742279 558667431 /nfs/dbraw/zinc/66/74/31/558667431.db2.gz OYEOPDUTVYKZHV-UHFFFAOYSA-N 1 0 416.522 1.825 50 0 HDAARO CCOc1ccc(C[N@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000014991858 558694835 /nfs/dbraw/zinc/69/48/35/558694835.db2.gz ICWAUHMEWZXXHU-LJQANCHMSA-N 1 0 421.567 1.981 50 0 HDAARO O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1F)N1CC[NH+](C2CCCC2)CC1 ZINC000015075733 558715969 /nfs/dbraw/zinc/71/59/69/558715969.db2.gz GWTGJKRHQYNKPM-FQEVSTJZSA-N 1 0 402.514 1.603 50 0 HDAARO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cnc21 ZINC000029562932 558716810 /nfs/dbraw/zinc/71/68/10/558716810.db2.gz WUVINIPSJZRAFA-UHFFFAOYSA-N 1 0 421.501 1.889 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)CCC(=O)N2C[C@@H]3CCCN3c3ccccc32)CC1 ZINC000022937388 558724992 /nfs/dbraw/zinc/72/49/92/558724992.db2.gz SGEUSVJUOWXPSW-IBGZPJMESA-N 1 0 413.566 1.536 50 0 HDAARO Cc1sc2ncn(CC(=O)NCCCC(=O)NCC[NH+]3CCCC3)c(=O)c2c1C ZINC000004563068 558732862 /nfs/dbraw/zinc/73/28/62/558732862.db2.gz SCZOQCSEPKAMJW-UHFFFAOYSA-N 1 0 419.551 1.183 50 0 HDAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 ZINC000015377591 558736451 /nfs/dbraw/zinc/73/64/51/558736451.db2.gz RHGAIMFZYQHLAW-GASCZTMLSA-N 1 0 415.506 1.776 50 0 HDAARO COc1cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC(C)C)cc(OC)c1OC ZINC000035421978 558791403 /nfs/dbraw/zinc/79/14/03/558791403.db2.gz QPDXMILVVBISJC-UHFFFAOYSA-N 1 0 407.511 1.633 50 0 HDAARO O=C(COCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCC[NH+]1CCCC1 ZINC000032987741 558807628 /nfs/dbraw/zinc/80/76/28/558807628.db2.gz WRBQPOLKUPEISF-UHFFFAOYSA-N 1 0 407.471 1.658 50 0 HDAARO CCc1nnc(C(=O)Nc2cccc(C(=O)NCCCN3CC[NH+](C)CC3)c2)s1 ZINC000033022444 558837514 /nfs/dbraw/zinc/83/75/14/558837514.db2.gz CRCAXMWBFKIRDZ-UHFFFAOYSA-N 1 0 416.551 1.720 50 0 HDAARO O=C(CCCn1nnnc1CN1CCOCC1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000019222524 558852170 /nfs/dbraw/zinc/85/21/70/558852170.db2.gz MBENYVBLJWSMBJ-UHFFFAOYSA-N 1 0 419.574 1.153 50 0 HDAARO CN1CC2(CC[NH+](C[C@]3(O)CCCN(CCc4ccccc4)C3=O)CC2)OC1=O ZINC000067967955 558862259 /nfs/dbraw/zinc/86/22/59/558862259.db2.gz NDTWZOKXCJAIIQ-JOCHJYFZSA-N 1 0 401.507 1.499 50 0 HDAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CN3CCCCC3=O)C2)CC1 ZINC000055154080 558874526 /nfs/dbraw/zinc/87/45/26/558874526.db2.gz CWDMHDYDUAZWOM-LJQANCHMSA-N 1 0 414.550 1.821 50 0 HDAARO CCCc1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCN(C)CC4)C3)CC2)no1 ZINC000071416216 558897668 /nfs/dbraw/zinc/89/76/68/558897668.db2.gz UWKHSTYNZPOMQH-QGZVFWFLSA-N 1 0 404.559 1.477 50 0 HDAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)N[C@H](C(N)=O)[C@@H](C)O)CC2)CC1 ZINC000071422322 558897884 /nfs/dbraw/zinc/89/78/84/558897884.db2.gz MTLYKYABFVHLCI-UTKZUKDTSA-N 1 0 416.566 1.022 50 0 HDAARO C[NH+](C)CCn1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)n1 ZINC000058151337 558902510 /nfs/dbraw/zinc/90/25/10/558902510.db2.gz VLPQLXZLBUVNDK-UHFFFAOYSA-N 1 0 403.464 1.004 50 0 HDAARO CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(c4noc(C5CC5)n4)CC3)C2)CC1 ZINC000071661824 558906378 /nfs/dbraw/zinc/90/63/78/558906378.db2.gz SUBXEYDBACXNOP-QGZVFWFLSA-N 1 0 402.543 1.402 50 0 HDAARO CCn1ccnc1CN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071759437 558909798 /nfs/dbraw/zinc/90/97/98/558909798.db2.gz PGAOFVGHVHPTCL-SFHVURJKSA-N 1 0 401.555 1.974 50 0 HDAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(c3ncnc4nc[nH]c43)CC2)C1 ZINC000071760019 558910051 /nfs/dbraw/zinc/91/00/51/558910051.db2.gz YSJGQTMUJMOQEV-INIZCTEOSA-N 1 0 420.521 1.745 50 0 HDAARO CNC(=O)CN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071764822 558910715 /nfs/dbraw/zinc/91/07/15/558910715.db2.gz HVKLXFFYKVOPLV-INIZCTEOSA-N 1 0 413.522 1.713 50 0 HDAARO Cc1occc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071768071 558910803 /nfs/dbraw/zinc/91/08/03/558910803.db2.gz ZTXXNTJXBUYHIX-GOSISDBHSA-N 1 0 402.539 1.679 50 0 HDAARO O=C(CN1C(=O)N[C@@](Cc2ccccc2Cl)(C2CC[NH2+]CC2)C1=O)NC1CC1 ZINC000067757035 558992446 /nfs/dbraw/zinc/99/24/46/558992446.db2.gz FDPDWCRSQAFNPF-FQEVSTJZSA-N 1 0 404.898 1.451 50 0 HDAARO [NH3+]CCC(=O)N1CCc2ccc(S(=O)(=O)NCCOc3ccccc3)cc2C1 ZINC000077302045 559000958 /nfs/dbraw/zinc/00/09/58/559000958.db2.gz GFQAKISZSCDKRI-UHFFFAOYSA-N 1 0 403.504 1.277 50 0 HDAARO C[NH+](C)[C@H]1CCN(CCCN2CC3(CCN(C(=O)c4ccc[nH]4)CC3)OC2=O)C1 ZINC000077319673 559001239 /nfs/dbraw/zinc/00/12/39/559001239.db2.gz JBFPUMSHOSNLFF-KRWDZBQOSA-N 1 0 403.527 1.468 50 0 HDAARO C[NH2+][C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)N(C)Cc3nccs3)cc2C1 ZINC000077407633 559004223 /nfs/dbraw/zinc/00/42/23/559004223.db2.gz OPEPTADMPUDXNX-ZDUSSCGKSA-N 1 0 408.549 1.456 50 0 HDAARO CSCCC(=O)N1CCC2(CN(CCCN3CC[C@H]([NH+](C)C)C3)C(=O)O2)CC1 ZINC000077419549 559004457 /nfs/dbraw/zinc/00/44/57/559004457.db2.gz QPTMOYRWUDKKOH-KRWDZBQOSA-N 1 0 412.600 1.579 50 0 HDAARO CC[NH+]1CCN(CCCN2CC3(CCN(C(=O)c4ccccn4)CC3)OC2=O)CC1 ZINC000077454099 559005690 /nfs/dbraw/zinc/00/56/90/559005690.db2.gz FUXQBLGTQHONNO-UHFFFAOYSA-N 1 0 415.538 1.536 50 0 HDAARO C[C@@H](O)[C@H]([NH3+])C(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2C1 ZINC000077506202 559007854 /nfs/dbraw/zinc/00/78/54/559007854.db2.gz GFVDHMLWTWWBNB-QRWLVFNGSA-N 1 0 417.531 1.100 50 0 HDAARO COc1ccnc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082138427 559040516 /nfs/dbraw/zinc/04/05/16/559040516.db2.gz CTHVZPIKXFVVST-QGZVFWFLSA-N 1 0 410.522 1.877 50 0 HDAARO Cc1cn(CCNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)nn1 ZINC000082162715 559041849 /nfs/dbraw/zinc/04/18/49/559041849.db2.gz KPRZAJKGZMLWFN-HXUWFJFHSA-N 1 0 411.554 1.474 50 0 HDAARO Nc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)nc(N)n1 ZINC000082166306 559042014 /nfs/dbraw/zinc/04/20/14/559042014.db2.gz ZEKPQOPSAWKSRP-OAHLLOKOSA-N 1 0 410.526 1.033 50 0 HDAARO COc1cc(S(=O)(=O)N2CCN(c3nc(N(C)C)cc(C)[nH+]3)CC2)c(C)cc1C ZINC000024023261 559187775 /nfs/dbraw/zinc/18/77/75/559187775.db2.gz WXCWDKBJVHHJDL-UHFFFAOYSA-N 1 0 419.551 1.987 50 0 HDAARO COCC[N@@H+](Cc1cccn1Cc1cccc(F)c1)C[C@H](O)CN1CCOCC1 ZINC000004927601 559207954 /nfs/dbraw/zinc/20/79/54/559207954.db2.gz GZCGRKKKXIRCJI-JOCHJYFZSA-N 1 0 405.514 1.817 50 0 HDAARO Cc1ccc(C)c(Cn2c3c(nc2N2CC[NH+](CC(C)C)CC2)n(C)c(=O)[nH]c3=O)c1 ZINC000005147921 559252756 /nfs/dbraw/zinc/25/27/56/559252756.db2.gz BHUXNXAXVNKBFW-UHFFFAOYSA-N 1 0 424.549 1.866 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000137288873 559279718 /nfs/dbraw/zinc/27/97/18/559279718.db2.gz VRCLJQBGOBULPA-RXVVDRJESA-N 1 0 420.513 1.991 50 0 HDAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)C1 ZINC000103892116 560844815 /nfs/dbraw/zinc/84/48/15/560844815.db2.gz GAKHQIWEWWRFSS-QRVBRYPASA-N 1 0 414.616 1.523 50 0 HDAARO O[C@@H](COc1cccc(C[NH2+]CCc2cn3cccnc3n2)c1)CN1CCOCC1 ZINC000020454646 568608882 /nfs/dbraw/zinc/60/88/82/568608882.db2.gz JOLBTSFZCZURTF-HXUWFJFHSA-N 1 0 411.506 1.134 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)CCC(=O)N2C[C@@H](C)Oc3ccccc32)CC1 ZINC000020466254 568610367 /nfs/dbraw/zinc/61/03/67/568610367.db2.gz NIQLNGUNPCYTRL-GOSISDBHSA-N 1 0 402.539 1.725 50 0 HDAARO CC[NH+]1CCN([C@@H](CNC(=O)C(=O)NCCCc2ccccc2)c2cccnc2)CC1 ZINC000020485536 568612935 /nfs/dbraw/zinc/61/29/35/568612935.db2.gz CSJRPBSIYSNZLC-QFIPXVFZSA-N 1 0 423.561 1.625 50 0 HDAARO Cc1c(C(=O)NCCN2CC[NH+](C)CC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000020489118 568614109 /nfs/dbraw/zinc/61/41/09/568614109.db2.gz VMAWVHPSJBNRKD-UHFFFAOYSA-N 1 0 403.552 1.470 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)CCCc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000225385405 568633283 /nfs/dbraw/zinc/63/32/83/568633283.db2.gz HULBPIBCVPPMPA-UHFFFAOYSA-N 1 0 401.511 1.822 50 0 HDAARO COCCN1C(=O)C[C@@H](C[NH2+][C@@H](C)C(C)(C)n2cncn2)[C@@H]1c1cnn(C)c1C ZINC000225412679 568635445 /nfs/dbraw/zinc/63/54/45/568635445.db2.gz VXDWWOMKOQHURZ-TXPKVOOTSA-N 1 0 403.531 1.269 50 0 HDAARO O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1)NCCCCC[NH+]1CCOCC1 ZINC000020996789 568657133 /nfs/dbraw/zinc/65/71/33/568657133.db2.gz VAEHWVYETIOGIZ-FQEVSTJZSA-N 1 0 420.529 1.135 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2cccc(NC(=O)C3=CSCCO3)c2)CC1 ZINC000021019506 568658147 /nfs/dbraw/zinc/65/81/47/568658147.db2.gz PHANGOGSJJHHRB-UHFFFAOYSA-N 1 0 404.536 1.597 50 0 HDAARO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CNc3ccccc3C(N)=O)CC2)C[C@H](C)O1 ZINC000225707003 568666348 /nfs/dbraw/zinc/66/63/48/568666348.db2.gz SPTAYWSBOHWRCM-CALCHBBNSA-N 1 0 402.539 1.935 50 0 HDAARO Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3CN(C(=O)c4ccccc4)[C@H]4CCN3C4)cc12 ZINC000095981125 568675309 /nfs/dbraw/zinc/67/53/09/568675309.db2.gz FKWPJFJARHSLQU-VQTJNVASSA-N 1 0 404.518 1.965 50 0 HDAARO CC[NH+](CC)CCNC(=O)c1ccc(CN2CC(=O)N3CCCC[C@@H]3C2=O)cc1 ZINC000021528262 568709917 /nfs/dbraw/zinc/70/99/17/568709917.db2.gz GAAPCJMMGUQRMH-LJQANCHMSA-N 1 0 400.523 1.482 50 0 HDAARO O=C(CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000021534292 568711514 /nfs/dbraw/zinc/71/15/14/568711514.db2.gz VEPFKPVGEVWNQK-UHFFFAOYSA-N 1 0 423.485 1.978 50 0 HDAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCN1CCOCC1)C2 ZINC000023353678 568825492 /nfs/dbraw/zinc/82/54/92/568825492.db2.gz CGVKVTSHBTUFQU-SFHVURJKSA-N 1 0 403.571 1.698 50 0 HDAARO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)C3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000003170996 568859490 /nfs/dbraw/zinc/85/94/90/568859490.db2.gz XDBPWDGWNAPYKQ-IYBDPMFKSA-N 1 0 409.552 1.651 50 0 HDAARO Cc1cc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)nc(C)n1 ZINC000299768615 568873959 /nfs/dbraw/zinc/87/39/59/568873959.db2.gz KBSFGDJXQMLJPY-LJQANCHMSA-N 1 0 415.538 1.173 50 0 HDAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccc(Cl)cn1 ZINC000299771296 568874302 /nfs/dbraw/zinc/87/43/02/568874302.db2.gz XYMNGJNPUNPRSM-GOSISDBHSA-N 1 0 420.941 1.814 50 0 HDAARO COc1ccc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cn1 ZINC000299771643 568874427 /nfs/dbraw/zinc/87/44/27/568874427.db2.gz RSAXEDZOGVXQJC-LJQANCHMSA-N 1 0 416.522 1.169 50 0 HDAARO Cc1c(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)ccn1C ZINC000299774431 568874597 /nfs/dbraw/zinc/87/45/97/568874597.db2.gz CYMSAECUSSTXNC-IBGZPJMESA-N 1 0 402.539 1.413 50 0 HDAARO Cc1cc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)ccc1O ZINC000299780664 568875012 /nfs/dbraw/zinc/87/50/12/568875012.db2.gz AXXHNAIILKTHAT-HXUWFJFHSA-N 1 0 415.534 1.780 50 0 HDAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1cc(C2CC2)n[nH]1 ZINC000299784593 568875352 /nfs/dbraw/zinc/87/53/52/568875352.db2.gz PRJLBZQCDFJSOU-GOSISDBHSA-N 1 0 415.538 1.366 50 0 HDAARO COc1ccc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cc1 ZINC000299792894 568876059 /nfs/dbraw/zinc/87/60/59/568876059.db2.gz HEGKXQRGNOBYFO-NRFANRHFSA-N 1 0 415.534 1.774 50 0 HDAARO O=C(Cc1ccc2c(c1)OCO2)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670437229 568878316 /nfs/dbraw/zinc/87/83/16/568878316.db2.gz WSALSOSEVPPJSF-IMBKEICKSA-N 1 0 405.498 1.642 50 0 HDAARO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccccc1-n1cnnc1 ZINC000670441528 568895203 /nfs/dbraw/zinc/89/52/03/568895203.db2.gz XKMSRQRJIPYTHB-IGSLEHJCSA-N 1 0 414.513 1.565 50 0 HDAARO NC(=O)c1nn(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(=O)c2ccccc21 ZINC000012752870 568941464 /nfs/dbraw/zinc/94/14/64/568941464.db2.gz ZVJNWPOIHDIQJM-INIZCTEOSA-N 1 0 409.446 1.042 50 0 HDAARO CCCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(C)c2)CC1 ZINC000004316498 568962179 /nfs/dbraw/zinc/96/21/79/568962179.db2.gz VBUGEDBNLOWUAT-UHFFFAOYSA-N 1 0 410.522 1.702 50 0 HDAARO O=C(NCCC[NH+]1CCCC1)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000015672139 568962575 /nfs/dbraw/zinc/96/25/75/568962575.db2.gz BSPQUYBOIDJIFT-UHFFFAOYSA-N 1 0 406.556 1.483 50 0 HDAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCOc2ccccc2)CC1 ZINC000004317949 568962678 /nfs/dbraw/zinc/96/26/78/568962678.db2.gz IZICKVHGRPHJGJ-UHFFFAOYSA-N 1 0 412.494 1.034 50 0 HDAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000008184993 568980351 /nfs/dbraw/zinc/98/03/51/568980351.db2.gz VNYFUBHHJYFGQC-UHFFFAOYSA-N 1 0 406.552 1.789 50 0 HDAARO O=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000015766749 568993184 /nfs/dbraw/zinc/99/31/84/568993184.db2.gz YUYVIIYUZSMSRB-UHFFFAOYSA-N 1 0 423.583 1.535 50 0 HDAARO NC(=O)CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000227235124 569040014 /nfs/dbraw/zinc/04/00/14/569040014.db2.gz HJTRJQIINHODFY-JVGYHMDPSA-N 1 0 422.416 1.016 50 0 HDAARO COCC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)C[C@@H](O)CN1CCOCC1 ZINC000035840554 569062365 /nfs/dbraw/zinc/06/23/65/569062365.db2.gz LUNKQHGLKZHJAG-QFIPXVFZSA-N 1 0 405.514 1.817 50 0 HDAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](CCC(=O)N(C)C)C3)C2=O)c1OC ZINC000426701545 569073879 /nfs/dbraw/zinc/07/38/79/569073879.db2.gz DCDPCEGQIUYGKB-JOCHJYFZSA-N 1 0 403.523 1.997 50 0 HDAARO CC1CCN(c2nn3c(nc(=O)cc3C(=O)NCC[NH+]3CCCCCC3)s2)CC1 ZINC000064836387 569104654 /nfs/dbraw/zinc/10/46/54/569104654.db2.gz PWSPYJBOCYEGAE-UHFFFAOYSA-N 1 0 418.567 1.993 50 0 HDAARO COc1ccc(-c2nn(CC(=O)NCC[NH+]3CCCC3)c(=O)c3noc(C)c32)cc1 ZINC000064842126 569106932 /nfs/dbraw/zinc/10/69/32/569106932.db2.gz ORNPEAMSPWUXBR-UHFFFAOYSA-N 1 0 411.462 1.581 50 0 HDAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)C1 ZINC000006798732 569125833 /nfs/dbraw/zinc/12/58/33/569125833.db2.gz OQPZTURIEZBWBU-GASCZTMLSA-N 1 0 408.572 1.585 50 0 HDAARO Cn1c2sc(C(=O)NCCC[N@H+](C)Cc3ccccc3)cc2c(=O)n(C)c1=O ZINC000064950296 569129294 /nfs/dbraw/zinc/12/92/94/569129294.db2.gz XYVWOQVZMUGXNR-UHFFFAOYSA-N 1 0 400.504 1.551 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1 ZINC000065117640 569180571 /nfs/dbraw/zinc/18/05/71/569180571.db2.gz LUWFNGDDTQRYGU-AWEZNQCLSA-N 1 0 422.507 1.309 50 0 HDAARO CC1CC[NH+](CCNC(=O)CN2c3cc(F)ccc3C(=O)N3CCC[C@H]3C2=O)CC1 ZINC000065307026 569220921 /nfs/dbraw/zinc/22/09/21/569220921.db2.gz JHIDKXSSPDTUKR-SFHVURJKSA-N 1 0 416.497 1.625 50 0 HDAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)[nH+]1 ZINC000007451864 569239521 /nfs/dbraw/zinc/23/95/21/569239521.db2.gz IDQJCDMYJZGTOA-UHFFFAOYSA-N 1 0 424.505 1.228 50 0 HDAARO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000497355535 569282002 /nfs/dbraw/zinc/28/20/02/569282002.db2.gz YEPOPTXBSHXYQE-WFASDCNBSA-N 1 0 407.533 1.773 50 0 HDAARO O=C(C[C@H]1NC(=O)N(c2ccccc2)C1=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000252508971 569291495 /nfs/dbraw/zinc/29/14/95/569291495.db2.gz XZRPMPUXCFSPDR-LJQANCHMSA-N 1 0 407.474 1.882 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000252571274 569294462 /nfs/dbraw/zinc/29/44/62/569294462.db2.gz XQZGFVDQBHBXOC-HZPDHXFCSA-N 1 0 416.478 1.421 50 0 HDAARO COCCOCC(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(CC(C)C)CC1)CCO2 ZINC000581819754 569320775 /nfs/dbraw/zinc/32/07/75/569320775.db2.gz IIBXFHXECMMHQK-FQEVSTJZSA-N 1 0 411.587 1.463 50 0 HDAARO CC(C)(C)OC(=O)N1CC[NH+](C2CCC(NC(=O)CCN3CCCC3=O)CC2)CC1 ZINC000253428303 569368583 /nfs/dbraw/zinc/36/85/83/569368583.db2.gz JXDUBYZJHNWTGC-UHFFFAOYSA-N 1 0 422.570 1.979 50 0 HDAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CN(c2cc(-n3cccn3)ncn2)C1 ZINC000253473616 569381487 /nfs/dbraw/zinc/38/14/87/569381487.db2.gz WTFUZQTXLMYSHV-UHFFFAOYSA-N 1 0 417.517 1.879 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000253535037 569382794 /nfs/dbraw/zinc/38/27/94/569382794.db2.gz FDYKSRFLVHUALH-PKOBYXMFSA-N 1 0 416.522 1.743 50 0 HDAARO O=c1cc(CSc2nc[nH]n2)oc(CN2CC[NH+](C3CCOCC3)CC2)c1O ZINC000252507516 569387792 /nfs/dbraw/zinc/38/77/92/569387792.db2.gz WNOJTYDDHJWZKY-UHFFFAOYSA-N 1 0 407.496 1.052 50 0 HDAARO CCCCN(C(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013063284 569408281 /nfs/dbraw/zinc/40/82/81/569408281.db2.gz VNGKTJXTJZKENP-HZPDHXFCSA-N 1 0 407.559 1.886 50 0 HDAARO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000040089247 571159138 /nfs/dbraw/zinc/15/91/38/571159138.db2.gz JFSBIRDPXPFFNY-QGZVFWFLSA-N 1 0 404.898 1.911 50 0 HDAARO CC1=NN(CC[N@H+](C)Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000010108932 571295145 /nfs/dbraw/zinc/29/51/45/571295145.db2.gz WVQWXAFHYGFDFL-HNNXBMFYSA-N 1 0 409.494 1.323 50 0 HDAARO Cn1cc([C@H](CNC(=O)C2CCN(S(C)(=O)=O)CC2)[NH+](C)C)c2ccccc21 ZINC000077171668 571311831 /nfs/dbraw/zinc/31/18/31/571311831.db2.gz BYVUBOAFOTWJDB-IBGZPJMESA-N 1 0 406.552 1.569 50 0 HDAARO Cc1cc(C)c(C(=O)N2CCC(CC(=O)NCCCN3CC[NH+](C)CC3)CC2)[nH]1 ZINC000033024354 571315849 /nfs/dbraw/zinc/31/58/49/571315849.db2.gz NTWRAIGEPLSRSJ-UHFFFAOYSA-N 1 0 403.571 1.628 50 0 HDAARO CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCC(C)(C)C[NH+](C)C ZINC000012456348 1074024977 /nfs/dbraw/zinc/02/49/77/1074024977.db2.gz PANOHJJGVDGEOT-SFHVURJKSA-N 1 0 404.555 1.480 50 0 HDAARO O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008122705 132327640 /nfs/dbraw/zinc/32/76/40/132327640.db2.gz WCESUTVHMOVSCS-UHFFFAOYSA-N 1 0 407.474 1.287 50 0 HDAARO CC(C)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000020572373 519806664 /nfs/dbraw/zinc/80/66/64/519806664.db2.gz REWRZIFJQRXCJF-GORZOVPNSA-N 1 0 401.438 1.381 50 0 HDAARO CCCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000045974584 521534450 /nfs/dbraw/zinc/53/44/50/521534450.db2.gz WJUCFNNXGQKOAU-UHFFFAOYSA-N 1 0 404.330 1.282 50 0 HDAARO CN(C)S(=O)(=O)c1ccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000032870733 521985808 /nfs/dbraw/zinc/98/58/08/521985808.db2.gz LRIRFAZEPVNGPK-UHFFFAOYSA-N 1 0 417.535 1.483 50 0 HDAARO CC[C@]1(C)NC(=O)N(NC(=O)CN2CC[NH+](Cc3cccc4ccccc43)CC2)C1=O ZINC000022805244 523604031 /nfs/dbraw/zinc/60/40/31/523604031.db2.gz MXEQDECFNGARSK-QHCPKHFHSA-N 1 0 423.517 1.709 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000020548726 523808120 /nfs/dbraw/zinc/80/81/20/523808120.db2.gz GJGPTLOXECCNTI-YGTYGHESSA-N 1 0 423.922 1.460 50 0 HDAARO Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H]2CCCO2)c1 ZINC000045944343 524186278 /nfs/dbraw/zinc/18/62/78/524186278.db2.gz MWNWUBYLRXGUMI-GOSISDBHSA-N 1 0 409.552 1.295 50 0 HDAARO COc1ccc(Cl)cc1S(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)C(C)C ZINC000045944158 524248017 /nfs/dbraw/zinc/24/80/17/524248017.db2.gz OKJYEGXNGOIMSW-UHFFFAOYSA-N 1 0 403.932 1.570 50 0 HDAARO O[C@H]1C[N@@H+](C2CCN(Cc3ccccc3)CC2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000020601753 526313548 /nfs/dbraw/zinc/31/35/48/526313548.db2.gz AAXCCHVPIXYONL-ZEQRLZLVSA-N 1 0 421.589 1.913 50 0 HDAARO O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCC[N@@H+]1CCc2ccccc2C1 ZINC000032017908 526510584 /nfs/dbraw/zinc/51/05/84/526510584.db2.gz ATVHWQZFFRWHMU-UHFFFAOYSA-N 1 0 412.515 1.290 50 0 HDAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)N2CCOCC2)CC1 ZINC000032779433 527531321 /nfs/dbraw/zinc/53/13/21/527531321.db2.gz SWDPHJUULNYEMR-UHFFFAOYSA-N 1 0 415.538 1.430 50 0 HDAARO Cn1c2nc(N3CC[NH2+]CC3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000000796262 557083104 /nfs/dbraw/zinc/08/31/04/557083104.db2.gz RFOQPGZBMDFBEQ-UHFFFAOYSA-N 1 0 404.474 1.045 50 0 HDAARO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000006182961 557693274 /nfs/dbraw/zinc/69/32/74/557693274.db2.gz NFCPJMVIXFKRKY-QGZVFWFLSA-N 1 0 421.906 1.447 50 0 HDAARO O=C(COc1ccc(Cl)cc1)NCC(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008743512 557804157 /nfs/dbraw/zinc/80/41/57/557804157.db2.gz OCDHXIHZEBGABM-UHFFFAOYSA-N 1 0 417.897 1.222 50 0 HDAARO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3nc(-c4cnccn4)no3)CC2)C1 ZINC000011814528 558278863 /nfs/dbraw/zinc/27/88/63/558278863.db2.gz FLACYSBFCXWTPI-HNNXBMFYSA-N 1 0 400.483 1.766 50 0 HDAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)cc1OC ZINC000011878448 558292792 /nfs/dbraw/zinc/29/27/92/558292792.db2.gz WESKFXJXCWZGBR-GOSISDBHSA-N 1 0 403.523 1.792 50 0 HDAARO COc1cc(C)c(C[N@H+]2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)cc1C ZINC000019837671 558293089 /nfs/dbraw/zinc/29/30/89/558293089.db2.gz UVDNRIVPKJUSNX-QGZVFWFLSA-N 1 0 413.522 1.615 50 0 HDAARO COc1cc(C[N@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)ccc1O ZINC000019838319 558293506 /nfs/dbraw/zinc/29/35/06/558293506.db2.gz DHDWFYDYYJIYMW-UHFFFAOYSA-N 1 0 422.489 1.418 50 0 HDAARO COc1ccc(CN(C)Cc2nccs2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000020452163 558366215 /nfs/dbraw/zinc/36/62/15/558366215.db2.gz AMACLFIJKFDWJZ-SFHVURJKSA-N 1 0 420.579 1.771 50 0 HDAARO Cn1ccc(CC(=O)N2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)c1 ZINC000012298857 558368962 /nfs/dbraw/zinc/36/89/62/558368962.db2.gz CWSMXYDYVPUDSN-UHFFFAOYSA-N 1 0 402.539 1.129 50 0 HDAARO COc1cccc(C[NH2+]CCCc2cccnc2)c1OC[C@@H](O)CN1CCOCC1 ZINC000012307827 558376380 /nfs/dbraw/zinc/37/63/80/558376380.db2.gz JHAOXNJAJADDAX-NRFANRHFSA-N 1 0 415.534 1.885 50 0 HDAARO O=C([C@H]1CCC(=O)N(CCc2ccccn2)C1)N1CCC([NH+]2CCSCC2)CC1 ZINC000012320038 558382089 /nfs/dbraw/zinc/38/20/89/558382089.db2.gz NHSWPGVLVFNPQD-SFHVURJKSA-N 1 0 416.591 1.903 50 0 HDAARO CC1CCN(Cc2nnnn2CC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000012433053 558407095 /nfs/dbraw/zinc/40/70/95/558407095.db2.gz XDOANZAJIGBPGJ-FQEVSTJZSA-N 1 0 411.554 1.686 50 0 HDAARO COCCNC(=O)c1cn(C2CC[NH+](Cc3cccc(OC)c3OC)CC2)nn1 ZINC000012453431 558416324 /nfs/dbraw/zinc/41/63/24/558416324.db2.gz XZNRENQUWFTSNZ-UHFFFAOYSA-N 1 0 403.483 1.509 50 0 HDAARO CSc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)cc1 ZINC000020920243 558423411 /nfs/dbraw/zinc/42/34/11/558423411.db2.gz DHQNAADPHXHTDC-SFHVURJKSA-N 1 0 415.563 1.896 50 0 HDAARO CC(=O)Nc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H]2CCCO2)c1 ZINC000021885621 558454064 /nfs/dbraw/zinc/45/40/64/558454064.db2.gz NROAQJKHALUVKS-IBGZPJMESA-N 1 0 402.495 1.088 50 0 HDAARO CN(C)CC[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000022873064 558518056 /nfs/dbraw/zinc/51/80/56/558518056.db2.gz DRFFOLWIOWTKJF-UHFFFAOYSA-N 1 0 402.948 1.604 50 0 HDAARO CC(C)NC(=O)CN1CCN(Cc2c(C(=O)N3CCCC3)nc3sccn23)CC1 ZINC000023231746 558543911 /nfs/dbraw/zinc/54/39/11/558543911.db2.gz AFNFZPLNXYIHLM-UHFFFAOYSA-N 1 0 418.567 1.274 50 0 HDAARO Cc1nc2ccc(S(=O)(=O)NCC(=O)NCC[N@H+]3CCCC[C@@H]3C)cc2s1 ZINC000004435623 558559288 /nfs/dbraw/zinc/55/92/88/558559288.db2.gz UIIZPYOEMZQREE-ZDUSSCGKSA-N 1 0 410.565 1.874 50 0 HDAARO CC[NH+]1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)CC1 ZINC000013787186 558593506 /nfs/dbraw/zinc/59/35/06/558593506.db2.gz XJZZXAPZLCJACU-UHFFFAOYSA-N 1 0 416.913 1.277 50 0 HDAARO NC(=O)c1cc(NC(=O)CN2CCC[N@H+](Cc3ccccc3)CC2)cc(C(N)=O)c1 ZINC000022934555 558653393 /nfs/dbraw/zinc/65/33/93/558653393.db2.gz GHXOEPXJHCGDRE-UHFFFAOYSA-N 1 0 409.490 1.031 50 0 HDAARO O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014743936 558668000 /nfs/dbraw/zinc/66/80/00/558668000.db2.gz HUYKNIOMAKLSMQ-KCZVDYSFSA-N 1 0 417.550 1.458 50 0 HDAARO NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccco3)CC2)C1=O ZINC000014744973 558668663 /nfs/dbraw/zinc/66/86/63/558668663.db2.gz XOLQFEFCDCGYDN-UHFFFAOYSA-N 1 0 410.474 1.606 50 0 HDAARO C[NH+]1CCN(CCCNC(=O)c2ccc(CN3c4ccnn4CCC3=O)cc2)CC1 ZINC000022937085 558675280 /nfs/dbraw/zinc/67/52/80/558675280.db2.gz VHJNPWYFSNMFHB-UHFFFAOYSA-N 1 0 410.522 1.187 50 0 HDAARO O=C(CCNC(=O)Cn1cnc2ccccc2c1=O)NCCC[NH+]1CCCCCC1 ZINC000004562791 558732597 /nfs/dbraw/zinc/73/25/97/558732597.db2.gz DKIHWROEFJASOA-UHFFFAOYSA-N 1 0 413.522 1.285 50 0 HDAARO Cc1nn(-c2ccc(C)cc2)c2c1nc(CCC(=O)NCC[NH+]1CCCC1)c(=O)n2C ZINC000015779891 558753123 /nfs/dbraw/zinc/75/31/23/558753123.db2.gz FNMAVJUZLACCOX-UHFFFAOYSA-N 1 0 422.533 1.881 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016024605 558768642 /nfs/dbraw/zinc/76/86/42/558768642.db2.gz GMVWDFZCSGUWIP-CJXDPKRBSA-N 1 0 405.882 1.753 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCN(C(=O)c3[nH]c(C)c(C)c3C)C2)CC1 ZINC000035482197 558792933 /nfs/dbraw/zinc/79/29/33/558792933.db2.gz OGBADUOMAVKDGN-HXUWFJFHSA-N 1 0 417.598 1.936 50 0 HDAARO COC(=O)[C@@H](CSCc1ccccc1)NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000004593497 558831731 /nfs/dbraw/zinc/83/17/31/558831731.db2.gz RPNDVTXUFKIAQC-GFCCVEGCSA-N 1 0 407.521 1.324 50 0 HDAARO CCN1CCN(C(=O)C2CCN(C(=O)c3sc4[nH]cnc(=O)c4c3C)CC2)CC1 ZINC000033073466 558867388 /nfs/dbraw/zinc/86/73/88/558867388.db2.gz VURDMVRWDLPTIF-UHFFFAOYSA-N 1 0 417.535 1.309 50 0 HDAARO CCN1CC[NH+](C2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)CC1 ZINC000019337188 558870342 /nfs/dbraw/zinc/87/03/42/558870342.db2.gz HBUGOTAWNXENNJ-UHFFFAOYSA-N 1 0 418.571 1.172 50 0 HDAARO O=C(NCc1nc[nH]n1)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071750631 558909090 /nfs/dbraw/zinc/90/90/90/558909090.db2.gz ZBFRWADOPFGMBS-OAHLLOKOSA-N 1 0 409.494 1.943 50 0 HDAARO Cn1cccc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071765439 558910533 /nfs/dbraw/zinc/91/05/33/558910533.db2.gz PDMCPJRIZSJMIX-SFHVURJKSA-N 1 0 401.555 1.116 50 0 HDAARO O=C(c1cc2ncccn2n1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071768023 558910931 /nfs/dbraw/zinc/91/09/31/558910931.db2.gz QWZHTZAPLCMBHM-QGZVFWFLSA-N 1 0 410.522 1.668 50 0 HDAARO COc1cc(OC)nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071775955 558911792 /nfs/dbraw/zinc/91/17/92/558911792.db2.gz CJIGFFZDHDAAMW-MRXNPFEDSA-N 1 0 403.527 1.797 50 0 HDAARO Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)[nH+]1 ZINC000072139995 558928952 /nfs/dbraw/zinc/92/89/52/558928952.db2.gz YIFKMMLIQJABRP-UHFFFAOYSA-N 1 0 417.535 1.274 50 0 HDAARO COc1ccc(CN(C)Cc2nccs2)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000019595176 558946095 /nfs/dbraw/zinc/94/60/95/558946095.db2.gz HJCDKAOXIBSMIY-GOSISDBHSA-N 1 0 420.579 1.771 50 0 HDAARO CC[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cn1c2ccccc2n(C)c(=O)c1=O ZINC000021943848 558979548 /nfs/dbraw/zinc/97/95/48/558979548.db2.gz OBEPYEKMHKQJNS-SFHVURJKSA-N 1 0 408.502 1.727 50 0 HDAARO Cc1noc(C)c1S(=O)(=O)N1CCN(c2nc(N3CCCCC3)cc(C)[nH+]2)CC1 ZINC000072438022 558981267 /nfs/dbraw/zinc/98/12/67/558981267.db2.gz UUWLUTNDMHVYMS-UHFFFAOYSA-N 1 0 420.539 1.891 50 0 HDAARO O=C(COc1cccc(-n2cnnn2)c1)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072474247 558983695 /nfs/dbraw/zinc/98/36/95/558983695.db2.gz WBKIPCUMGIRADK-LJQANCHMSA-N 1 0 406.490 1.864 50 0 HDAARO O=C(NCc1cnc2ccccc2c1)c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)[nH]c1=O ZINC000077287362 559000554 /nfs/dbraw/zinc/00/05/54/559000554.db2.gz NZXSFYUFPMYAMU-HDICACEKSA-N 1 0 403.486 1.504 50 0 HDAARO Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CC[NH+](C(C)C)CC2)[C@H]3C1=O ZINC000077343924 559001996 /nfs/dbraw/zinc/00/19/96/559001996.db2.gz LSWXUZOQJOSWKP-SRYPRDQNSA-N 1 0 413.493 1.973 50 0 HDAARO Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CC[NH+](C(C)C)CC2)[C@@H]3C1=O ZINC000077343919 559002043 /nfs/dbraw/zinc/00/20/43/559002043.db2.gz LSWXUZOQJOSWKP-GJPOJAMWSA-N 1 0 413.493 1.973 50 0 HDAARO CCCCN1CCN([C@@H](C(=O)N2CCC[N@H+](CC)CC2)c2ccccc2)C(=O)C1=O ZINC000077393318 559003654 /nfs/dbraw/zinc/00/36/54/559003654.db2.gz NNBIBWFGFWXFBS-HXUWFJFHSA-N 1 0 414.550 1.753 50 0 HDAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)Cc3c(C)noc3C)CC2)OC1=O ZINC000077470423 559006488 /nfs/dbraw/zinc/00/64/88/559006488.db2.gz SEDBCXIGYAOCOL-UHFFFAOYSA-N 1 0 408.499 1.226 50 0 HDAARO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2ccncc2)CC3)C1 ZINC000077556513 559009339 /nfs/dbraw/zinc/00/93/39/559009339.db2.gz ZGKCCIVXJOXCCV-IBGZPJMESA-N 1 0 414.531 1.605 50 0 HDAARO O=C(NCCc1cnccn1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082108416 559038605 /nfs/dbraw/zinc/03/86/05/559038605.db2.gz OKXQJTBHZFZVGM-HXUWFJFHSA-N 1 0 408.550 1.907 50 0 HDAARO O=C(C[C@@H]1COCC[NH2+]1)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 ZINC000091665689 559072942 /nfs/dbraw/zinc/07/29/42/559072942.db2.gz BRYZLVMXSKFERI-LJQANCHMSA-N 1 0 400.523 1.234 50 0 HDAARO COc1ccc2cc(C(=O)N3C[C@H](CO)[C@H](C[NH+]4CCC(O)CC4)C3)n(C)c2c1 ZINC000091694755 559073123 /nfs/dbraw/zinc/07/31/23/559073123.db2.gz VZWYOJTXRLZMIW-IAGOWNOFSA-N 1 0 401.507 1.324 50 0 HDAARO O=C(NCc1nnn[n-]1)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091755865 559073509 /nfs/dbraw/zinc/07/35/09/559073509.db2.gz WMUKPSGTVBXYOG-SFHVURJKSA-N 1 0 409.538 1.160 50 0 HDAARO CC(C)(NC(=O)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1)C(N)=O ZINC000092028204 559075061 /nfs/dbraw/zinc/07/50/61/559075061.db2.gz LEAOUPCBKUXDMT-IBGZPJMESA-N 1 0 400.567 1.786 50 0 HDAARO C[C@@H]1C[N@@H+](C[C@@H]2CN(C(=O)c3ccc(Cn4ccnc4)o3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095385934 559080665 /nfs/dbraw/zinc/08/06/65/559080665.db2.gz MNJAPPLFRSYPRX-XMTFNYHQSA-N 1 0 402.495 1.314 50 0 HDAARO Cc1ccc([C@@H]2CN(C(=O)c3c[nH]nc3-n3cnnn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095522209 559085461 /nfs/dbraw/zinc/08/54/61/559085461.db2.gz WFCRAUNOOABOPS-IPMKNSEASA-N 1 0 404.478 1.396 50 0 HDAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]([NH3+])C1CCCCC1)CC2 ZINC000095526908 559086157 /nfs/dbraw/zinc/08/61/57/559086157.db2.gz GXUGWWKRTSPOPC-GOSISDBHSA-N 1 0 403.527 1.166 50 0 HDAARO Cc1nnc(CNC(=O)[C@H]2[C@@H]3C[N@@H+](Cc4cnc(-c5ccccc5C)nc4)C[C@@H]32)[nH]1 ZINC000102831629 559153105 /nfs/dbraw/zinc/15/31/05/559153105.db2.gz MTAKMNRVPYAORA-RUYXUALKSA-N 1 0 403.490 1.873 50 0 HDAARO O=C(CSc1nnnn1-c1ccc(O)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000014238837 559161516 /nfs/dbraw/zinc/16/15/16/559161516.db2.gz NWWJPQXAMURYEF-INIZCTEOSA-N 1 0 410.503 1.851 50 0 HDAARO C[C@@H]1CN(C(C)(C)CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)C[C@H](C)O1 ZINC000014246012 559161861 /nfs/dbraw/zinc/16/18/61/559161861.db2.gz OONCHJNFRBTFHI-GASCZTMLSA-N 1 0 422.551 1.119 50 0 HDAARO COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCC[N@H+](C)CC3)[C@@H]4C2=O)c1 ZINC000107129878 559164563 /nfs/dbraw/zinc/16/45/63/559164563.db2.gz XAZNPQAJTJXJBZ-VAWZGJIGSA-N 1 0 411.502 1.141 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](CC(C)C)[NH2+][C@@]3(C(=O)Nc4c3cccc4Cl)[C@H]2C1=O ZINC000248188392 559268416 /nfs/dbraw/zinc/26/84/16/559268416.db2.gz IXFIEDYTXCYCOX-LYKCQVCGSA-N 1 0 405.882 1.753 50 0 HDAARO O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000002104458 560559044 /nfs/dbraw/zinc/55/90/44/560559044.db2.gz BIFWRLIMBVQLOC-HZNUMKHLSA-N 1 0 417.421 1.847 50 0 HDAARO Cc1ccccc1S(=O)(=O)N(CC[N@H+]1CCCC[C@H]1C)CC(=O)N1CC[NH2+]CC1 ZINC000105856426 560877839 /nfs/dbraw/zinc/87/78/39/560877839.db2.gz IQJPNGHQNPHHIF-LJQANCHMSA-N 1 0 422.595 1.292 50 0 HDAARO Cc1ccc(O)c(C[NH2+]C[C@H]2CN(S(=O)(=O)c3ccccc3)[C@H]3CCN2C3)n1 ZINC000108367099 568418660 /nfs/dbraw/zinc/41/86/60/568418660.db2.gz GGJVPUBVCFHIAD-IRXDYDNUSA-N 1 0 402.520 1.333 50 0 HDAARO COc1ccc(-c2n[nH]cc2C[NH2+]CCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000048249904 568433189 /nfs/dbraw/zinc/43/31/89/568433189.db2.gz AAMAERZKEZMSON-HUUCEWRRSA-N 1 0 408.524 1.614 50 0 HDAARO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000048274285 568434233 /nfs/dbraw/zinc/43/42/33/568434233.db2.gz IXJUQKCQXXQDSM-RBUKOAKNSA-N 1 0 404.490 1.377 50 0 HDAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000048332429 568440127 /nfs/dbraw/zinc/44/01/27/568440127.db2.gz QVWCWOOOEWORHD-CALCHBBNSA-N 1 0 422.533 1.924 50 0 HDAARO O=C(Nc1cccc(-n2cnnc2)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000049550472 568451939 /nfs/dbraw/zinc/45/19/39/568451939.db2.gz SJCFARYEMXRQQT-UHFFFAOYSA-N 1 0 404.474 1.987 50 0 HDAARO COc1cc([C@H](CC(=O)NCCC[NH+](C)C)c2oc(C)cc(=O)c2O)ccc1O ZINC000604405409 568492598 /nfs/dbraw/zinc/49/25/98/568492598.db2.gz SBZVVFRMEZXDAB-HNNXBMFYSA-N 1 0 404.463 1.958 50 0 biogenic HDAARO Cn1c(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)nc2n(C)c1=O ZINC000024556054 568512647 /nfs/dbraw/zinc/51/26/47/568512647.db2.gz KSGPPPSYSNMGKV-SFHVURJKSA-N 1 0 407.474 1.199 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214433 568594781 /nfs/dbraw/zinc/59/47/81/568594781.db2.gz AUYXVKBTMCFMTG-FQEVSTJZSA-N 1 0 416.522 1.892 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020283652 568596734 /nfs/dbraw/zinc/59/67/34/568596734.db2.gz DFHGSMMFFUMATD-GOSISDBHSA-N 1 0 418.494 1.122 50 0 HDAARO CCn1c(=O)cc(SCC(=O)NCCCN2CC[NH+](C)CC2)c2ccccc21 ZINC000020285084 568596878 /nfs/dbraw/zinc/59/68/78/568596878.db2.gz MHUWGTIHNLXKIF-UHFFFAOYSA-N 1 0 402.564 1.867 50 0 HDAARO Cn1c(=O)c2c(n(C)c1=O)NCN(CC1CC[NH+](CCc3cccs3)CC1)C2 ZINC000020320186 568598839 /nfs/dbraw/zinc/59/88/39/568598839.db2.gz JLZNJONHFBCZOA-UHFFFAOYSA-N 1 0 403.552 1.285 50 0 HDAARO CC1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH+]3CCCCC3)C2)CC1 ZINC000020389255 568603900 /nfs/dbraw/zinc/60/39/00/568603900.db2.gz RTYXKAGODPRMDG-GOSISDBHSA-N 1 0 400.589 1.277 50 0 HDAARO C[NH+]1CCN(CCCNC(=O)CCCn2c3ccccc3n3cccc3c2=O)CC1 ZINC000020489778 568614218 /nfs/dbraw/zinc/61/42/18/568614218.db2.gz AHQQZQURWJZWBY-UHFFFAOYSA-N 1 0 409.534 1.788 50 0 HDAARO COc1ccc(-n2cc(C(=O)NCCN3CC[NH+](C)CC3)c3ccccc3c2=O)cc1 ZINC000020508947 568620180 /nfs/dbraw/zinc/62/01/80/568620180.db2.gz KPWIHZIIAKKUPP-UHFFFAOYSA-N 1 0 420.513 1.977 50 0 HDAARO O=S(=O)(CC[NH+]1CCCC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000225606678 568656343 /nfs/dbraw/zinc/65/63/43/568656343.db2.gz KSZWEGLBAANCAX-UHFFFAOYSA-N 1 0 421.972 1.962 50 0 HDAARO CCCc1cc(=O)n2nc(N(C)CC(=O)NCCC[NH+]3CCCCCC3)sc2n1 ZINC000021165523 568674553 /nfs/dbraw/zinc/67/45/53/568674553.db2.gz BYWRUFGVRHMITR-UHFFFAOYSA-N 1 0 420.583 1.922 50 0 HDAARO C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1)n1nnnc1C(C)(C)C ZINC000095993005 568678044 /nfs/dbraw/zinc/67/80/44/568678044.db2.gz PHBJJIZLVQYXDD-ZBFHGGJFSA-N 1 0 413.526 1.868 50 0 HDAARO C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1)n1nnnc1C(C)(C)C ZINC000095993004 568678144 /nfs/dbraw/zinc/67/81/44/568678144.db2.gz PHBJJIZLVQYXDD-HOCLYGCPSA-N 1 0 413.526 1.868 50 0 HDAARO COc1ccc(C(=O)N2CCN(C[C@@H]3C[N@H+](C[C@H](O)C(C)C)CCO3)CC2)cc1 ZINC000096281270 568718739 /nfs/dbraw/zinc/71/87/39/568718739.db2.gz QLAHAXZKDAHRTO-RTWAWAEBSA-N 1 0 405.539 1.171 50 0 HDAARO CCOC(=O)C1C(C[NH2+]CCN2CCOCC2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000096299609 568722635 /nfs/dbraw/zinc/72/26/35/568722635.db2.gz SVNFNMQDMIJRCH-FQEVSTJZSA-N 1 0 416.522 1.396 50 0 HDAARO O=C([C@@H]1CCC(=O)N1S(=O)(=O)c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000021940481 568763109 /nfs/dbraw/zinc/76/31/09/568763109.db2.gz XWJRWVGASSLKAM-IBGZPJMESA-N 1 0 419.547 1.843 50 0 HDAARO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000055407051 568774355 /nfs/dbraw/zinc/77/43/55/568774355.db2.gz WCEHUMBHGZCJFN-IAGOWNOFSA-N 1 0 408.568 1.719 50 0 HDAARO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)C3CC[NH+](C)CC3)c2)C[C@@H](C)O1 ZINC000003216007 568846880 /nfs/dbraw/zinc/84/68/80/568846880.db2.gz MMHFWSFOBJBQJU-HZPDHXFCSA-N 1 0 409.552 1.651 50 0 HDAARO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(C(=O)NCc3cccnc3)cc2)CC1 ZINC000299758513 568872873 /nfs/dbraw/zinc/87/28/73/568872873.db2.gz LZUQDVGPOTWQDK-NRFANRHFSA-N 1 0 407.518 1.930 50 0 HDAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000299779761 568874989 /nfs/dbraw/zinc/87/49/89/568874989.db2.gz SRPKURONECTVIO-FQEVSTJZSA-N 1 0 402.470 1.862 50 0 HDAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccc(O)cc1 ZINC000299791536 568875864 /nfs/dbraw/zinc/87/58/64/568875864.db2.gz GOPAOQOGDLWTLZ-FQEVSTJZSA-N 1 0 401.507 1.471 50 0 HDAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000263585165 568878464 /nfs/dbraw/zinc/87/84/64/568878464.db2.gz FUCAKXSWTSBMKR-RYQLBKOJSA-N 1 0 402.495 1.813 50 0 biogenic HDAARO C[C@H]([NH2+]CC(=O)NC(=O)NCCC1=CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000058169406 568895818 /nfs/dbraw/zinc/89/58/18/568895818.db2.gz GCBSHWJTCAQGCU-AWEZNQCLSA-N 1 0 408.524 1.701 50 0 HDAARO Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCC[NH+]4CCCC4)C3)ccc21 ZINC000015784491 568922560 /nfs/dbraw/zinc/92/25/60/568922560.db2.gz VWLMZEHMTXPECR-SFHVURJKSA-N 1 0 418.563 1.791 50 0 HDAARO CC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2)CC1 ZINC000004082604 568939353 /nfs/dbraw/zinc/93/93/53/568939353.db2.gz DUXKKYVONSOZKS-KSSFIOAISA-N 1 0 406.502 1.881 50 0 biogenic HDAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1 ZINC000004136468 568945684 /nfs/dbraw/zinc/94/56/84/568945684.db2.gz SLIKWOAKLVXCJU-UHFFFAOYSA-N 1 0 402.886 1.267 50 0 HDAARO O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670462975 568953301 /nfs/dbraw/zinc/95/33/01/568953301.db2.gz UWQDVROMTFPFPT-XAHYOPIXSA-N 1 0 418.497 1.278 50 0 HDAARO O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000015672245 568962577 /nfs/dbraw/zinc/96/25/77/568962577.db2.gz ZEBFNEUYVXOSMS-INIZCTEOSA-N 1 0 420.583 1.874 50 0 HDAARO O=C(CNC1=NS(=O)(=O)c2ccccc21)NCc1ccccc1C[NH+]1CCCC1 ZINC000008075731 568972369 /nfs/dbraw/zinc/97/23/69/568972369.db2.gz BSOBRVIGJWOFHO-UHFFFAOYSA-N 1 0 412.515 1.637 50 0 HDAARO O=c1ccc(-c2ccc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)o2)n[nH]1 ZINC000015728266 568979224 /nfs/dbraw/zinc/97/92/24/568979224.db2.gz LJHCYOVVPPOFHN-UHFFFAOYSA-N 1 0 414.487 1.973 50 0 HDAARO Cn1cnc2cc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)C[N@H+](C4)CC5)ccc21 ZINC000670470031 568984693 /nfs/dbraw/zinc/98/46/93/568984693.db2.gz HLNAMISISNMZRQ-IGSLEHJCSA-N 1 0 401.514 1.871 50 0 HDAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2nc(CS(=O)(=O)c3ccccc3)no2)C1 ZINC000015786766 569007621 /nfs/dbraw/zinc/00/76/21/569007621.db2.gz NBHGCUYKBAORMK-HNNXBMFYSA-N 1 0 406.508 1.895 50 0 HDAARO C[C@H]([NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc2c(c1)CCCC2 ZINC000012854040 569010842 /nfs/dbraw/zinc/01/08/42/569010842.db2.gz WNTPZYKQCVKEAJ-UWJYYQICSA-N 1 0 419.591 1.547 50 0 HDAARO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000035310477 569031061 /nfs/dbraw/zinc/03/10/61/569031061.db2.gz WHQSTGILLKJOJP-HOTGVXAUSA-N 1 0 418.991 1.651 50 0 HDAARO C[NH+](C)[C@@H](CNC(=O)N1CCN(S(C)(=O)=O)C1=O)c1csc2ccccc21 ZINC000575619399 569038579 /nfs/dbraw/zinc/03/85/79/569038579.db2.gz DPMAQSCNYMHDEJ-AWEZNQCLSA-N 1 0 410.521 1.911 50 0 HDAARO CN(C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000241897322 569055002 /nfs/dbraw/zinc/05/50/02/569055002.db2.gz TXRNBNBHXZNNLE-HKUYNNGSSA-N 1 0 408.568 1.240 50 0 HDAARO Cc1ccc(N2CC[NH+](CCCNC(=O)c3nc(-c4ccncn4)no3)CC2)cc1 ZINC000064459822 569063051 /nfs/dbraw/zinc/06/30/51/569063051.db2.gz MAJGYIFENILDOO-UHFFFAOYSA-N 1 0 407.478 1.777 50 0 HDAARO CC(C)C(=O)N1CCn2nc(C[NH2+]C3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2C1 ZINC000426510213 569073227 /nfs/dbraw/zinc/07/32/27/569073227.db2.gz LZKRCBTVSQZFLP-IBGZPJMESA-N 1 0 403.527 1.141 50 0 HDAARO CC(C)C(=O)N1CCn2nc(C[NH2+]C3CCN(C(=O)[C@H]4CCCO4)CC3)cc2C1 ZINC000426510216 569073298 /nfs/dbraw/zinc/07/32/98/569073298.db2.gz LZKRCBTVSQZFLP-LJQANCHMSA-N 1 0 403.527 1.141 50 0 HDAARO C[NH+](C)CCNC(=O)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)C1 ZINC000064928783 569123697 /nfs/dbraw/zinc/12/36/97/569123697.db2.gz QNTLPJAMUWYLHL-OAHLLOKOSA-N 1 0 403.914 1.780 50 0 HDAARO C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)CC1 ZINC000065195458 569194212 /nfs/dbraw/zinc/19/42/12/569194212.db2.gz JUDOGZSAHCYYCY-GOSISDBHSA-N 1 0 410.518 1.503 50 0 HDAARO CCCNc1cc(N2CCC[C@H](CCC(=O)NCCN3CC[NH+](C)CC3)C2)ncn1 ZINC000065244910 569204994 /nfs/dbraw/zinc/20/49/94/569204994.db2.gz XSRNRCMSPONCBV-LJQANCHMSA-N 1 0 417.602 1.659 50 0 HDAARO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000007425500 569238143 /nfs/dbraw/zinc/23/81/43/569238143.db2.gz PFGMUZJPZQLCEE-UHFFFAOYSA-N 1 0 420.517 1.939 50 0 HDAARO C[N@H+](CCC(=O)NCCNC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000170599948 569242871 /nfs/dbraw/zinc/24/28/71/569242871.db2.gz RSMJJVSIFFCFSJ-QGZVFWFLSA-N 1 0 404.511 1.755 50 0 HDAARO O=C([O-])[C@H](CC(=O)Nc1ccc(F)cc1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000071283564 569251863 /nfs/dbraw/zinc/25/18/63/569251863.db2.gz VQICTMQFJRNZNR-QGZVFWFLSA-N 1 0 406.502 1.569 50 0 HDAARO COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(C[NH+]2CCCCC2)cc1=O ZINC000016974368 569269659 /nfs/dbraw/zinc/26/96/59/569269659.db2.gz XWBLAVHIKLHYSX-UHFFFAOYSA-N 1 0 413.474 1.888 50 0 HDAARO Cn1nccc1C(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000581819848 569321015 /nfs/dbraw/zinc/32/10/15/569321015.db2.gz OONZXVWEQSQHBY-LJQANCHMSA-N 1 0 424.549 1.791 50 0 HDAARO CCS(=O)(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000581820214 569321153 /nfs/dbraw/zinc/32/11/53/569321153.db2.gz YJZQCZKBZGRXQD-GOSISDBHSA-N 1 0 408.568 1.567 50 0 HDAARO CCOCC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCOC2)C[C@@H]1C ZINC000253630119 569383377 /nfs/dbraw/zinc/38/33/77/569383377.db2.gz HXQYUYOWEPXJMY-ROUUACIJSA-N 1 0 402.543 1.867 50 0 HDAARO COC(=O)[C@@]1(NC(=O)Cn2c3ccccc3oc2=O)CCC[N@H+](Cc2ccccc2)C1 ZINC000079071290 569426858 /nfs/dbraw/zinc/42/68/58/569426858.db2.gz URDYZELQQXXOEK-HSZRJFAPSA-N 1 0 423.469 1.919 50 0 HDAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@H]1c1ccc(F)c(F)c1 ZINC000067286124 571064572 /nfs/dbraw/zinc/06/45/72/571064572.db2.gz QHEJDAMIQQGUJP-SFHVURJKSA-N 1 0 408.449 1.773 50 0 HDAARO O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000009060026 571217146 /nfs/dbraw/zinc/21/71/46/571217146.db2.gz REHBZGUNJJANAS-UHFFFAOYSA-N 1 0 401.898 1.847 50 0 HDAARO COc1ccc(/C=C2\SC(=O)N(CC(=O)NCCC[NH+](C)C)C2=O)c(OC)c1 ZINC000009477165 571261679 /nfs/dbraw/zinc/26/16/79/571261679.db2.gz ZATZAROCMZKAQL-YBEGLDIGSA-N 1 0 407.492 1.808 50 0 HDAARO COc1ccc(-c2cc3c(=O)n(CC(=O)NCC[N@@H+]4CCCC[C@H]4C)ncn3n2)cc1 ZINC000009727394 571282529 /nfs/dbraw/zinc/28/25/29/571282529.db2.gz QQAZPTAMPNYWFK-MRXNPFEDSA-N 1 0 424.505 1.557 50 0 HDAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc(C)c(C)[nH]c2=O)CC1 ZINC000012580653 1075750876 /nfs/dbraw/zinc/75/08/76/1075750876.db2.gz YTBXFRISTYWIFA-LJQANCHMSA-N 1 0 405.539 1.971 50 0 HDAARO Cn1c2ncn(CC[N@H+](CCc3ccccc3)Cc3cccnc3)c2c(=O)n(C)c1=O ZINC000429285172 1075820664 /nfs/dbraw/zinc/82/06/64/1075820664.db2.gz NQRWCIHSTXVXDO-UHFFFAOYSA-N 1 0 418.501 1.574 50 0 HDAARO Cc1cc(C(=O)N[C@H](C)C[N@@H+]2CCc3ccccc3C2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000821809989 1075842975 /nfs/dbraw/zinc/84/29/75/1075842975.db2.gz GKARNWSVBRLZDC-CQSZACIVSA-N 1 0 407.474 1.519 50 0 HDAARO Cc1ccnc(CC(=O)N2CCOC3(CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)C2)c1 ZINC000823783369 1076219064 /nfs/dbraw/zinc/21/90/64/1076219064.db2.gz BTKRKZZIFMNRIT-IBGZPJMESA-N 1 0 400.523 1.247 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000009302999 132338174 /nfs/dbraw/zinc/33/81/74/132338174.db2.gz SSORFDQKYNLYPR-SJORKVTESA-N 1 0 408.462 1.005 50 0 HDAARO O=S(=O)(c1ccc(N2CC[NH+](CCc3ccccc3)CC2)nc1)N1CCOCC1 ZINC000009377019 132339192 /nfs/dbraw/zinc/33/91/92/132339192.db2.gz XCJHMQCKOHGFRH-UHFFFAOYSA-N 1 0 416.547 1.467 50 0 HDAARO CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000032268104 519698797 /nfs/dbraw/zinc/69/87/97/519698797.db2.gz AEPMRHYULFQQRU-WIYYLYMNSA-N 1 0 400.523 1.688 50 0 HDAARO CCCCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000045944451 520159664 /nfs/dbraw/zinc/15/96/64/520159664.db2.gz GSTFRKVTDFSHIV-UHFFFAOYSA-N 1 0 403.495 1.968 50 0 HDAARO CCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000045966899 520486014 /nfs/dbraw/zinc/48/60/14/520486014.db2.gz BCXAVCQBUFYFCJ-UHFFFAOYSA-N 1 0 407.511 1.777 50 0 HDAARO CCCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(OC)ccc1OC ZINC000045944975 520488121 /nfs/dbraw/zinc/48/81/21/520488121.db2.gz XNGCCWCVOBOWHK-UHFFFAOYSA-N 1 0 413.540 1.317 50 0 HDAARO CCC(=O)c1ccc(OC[C@H](O)C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000032682387 521251540 /nfs/dbraw/zinc/25/15/40/521251540.db2.gz ADILIJBAJVMKBJ-QGZVFWFLSA-N 1 0 406.504 1.499 50 0 HDAARO CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)NCCCC[NH+]3CCCC3)c2)n1 ZINC000041784211 523738998 /nfs/dbraw/zinc/73/89/98/523738998.db2.gz QFCPMGBNZSPGRS-UHFFFAOYSA-N 1 0 411.506 1.930 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000020548794 523806832 /nfs/dbraw/zinc/80/68/32/523806832.db2.gz IISFTMMHVZGFKS-SSHHRWTQSA-N 1 0 423.922 1.460 50 0 HDAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000032885613 523926668 /nfs/dbraw/zinc/92/66/68/523926668.db2.gz SGFFVQSAJSXZHS-UHFFFAOYSA-N 1 0 414.959 1.702 50 0 HDAARO C[C@H](CNC(=O)CCn1c2ccccc2c(=O)[nH]c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000032800734 524381985 /nfs/dbraw/zinc/38/19/85/524381985.db2.gz VZNXYERPEJOVAU-MRXNPFEDSA-N 1 0 406.486 1.643 50 0 HDAARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022766167 524462557 /nfs/dbraw/zinc/46/25/57/524462557.db2.gz CEHLBYPMEQQGCF-GOSISDBHSA-N 1 0 402.520 1.800 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000010385662 535502832 /nfs/dbraw/zinc/50/28/32/535502832.db2.gz SSORFDQKYNLYPR-DLBZAZTESA-N 1 0 408.462 1.005 50 0 HDAARO CCC(=O)N(c1ccccc1)C1(COC)CC[NH+](CCn2nnn(CC)c2=O)CC1 ZINC000000601281 557018683 /nfs/dbraw/zinc/01/86/83/557018683.db2.gz IDBPHNDTYPBSNI-UHFFFAOYSA-N 1 0 416.526 1.384 50 0 fda HDAARO Cc1c(C(=O)N2CCOCC2)nnn1-c1cccc2c1CC[N@@H+](C1CCOCC1)C2 ZINC000071890459 557315663 /nfs/dbraw/zinc/31/56/63/557315663.db2.gz DTYYWYXOKCUBMS-UHFFFAOYSA-N 1 0 411.506 1.585 50 0 HDAARO CC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccc4c(c3)OCO4)co2)CC1 ZINC000034677207 557364575 /nfs/dbraw/zinc/36/45/75/557364575.db2.gz AUSQSHKPAFQPIB-MRXNPFEDSA-N 1 0 416.478 1.222 50 0 HDAARO COc1cccc(C[NH2+]CCNC(=O)c2nonc2N)c1OCc1ccc(F)cc1 ZINC000008495372 557793411 /nfs/dbraw/zinc/79/34/11/557793411.db2.gz TXYFNCWSTUAZSQ-UHFFFAOYSA-N 1 0 415.425 1.898 50 0 HDAARO COC(=O)C1=C(O)NC(N2CCN(Cc3ccccc3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000019818008 558288084 /nfs/dbraw/zinc/28/80/84/558288084.db2.gz NSAZRCMDPIAHQB-VQTJNVASSA-N 1 0 406.486 1.821 50 0 HDAARO Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([N@H+](CCO)Cc1ccccc1)C2 ZINC000020534346 558385527 /nfs/dbraw/zinc/38/55/27/558385527.db2.gz MEICPYANCPTQDU-GOSISDBHSA-N 1 0 414.575 1.961 50 0 HDAARO CC(C)[NH+]1CCC(N2CCN(Cc3cccc(OCCO)c3)C[C@@H]2CCO)CC1 ZINC000020999750 558428180 /nfs/dbraw/zinc/42/81/80/558428180.db2.gz CUZDEKPCWNCESG-QFIPXVFZSA-N 1 0 405.583 1.799 50 0 HDAARO CCC[NH+]1CCN(C(=O)CCc2nc3c(C)nn(-c4ccccc4)c3n(C)c2=O)CC1 ZINC000021156006 558432731 /nfs/dbraw/zinc/43/27/31/558432731.db2.gz CHDARHMGNHWVTN-UHFFFAOYSA-N 1 0 422.533 1.914 50 0 HDAARO CC(C)N(C)Cc1nnnn1CC(=O)NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012596187 558437764 /nfs/dbraw/zinc/43/77/64/558437764.db2.gz ZIBIZIJIPWTYHQ-FQEVSTJZSA-N 1 0 413.570 1.584 50 0 HDAARO O=C(C[C@H]1C(=O)NCCN1CCCc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012712170 558453345 /nfs/dbraw/zinc/45/33/45/558453345.db2.gz NKCFIJCSZTWVME-QFIPXVFZSA-N 1 0 421.545 1.554 50 0 HDAARO CC[NH+](CC)[C@@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000022758710 558508207 /nfs/dbraw/zinc/50/82/07/558508207.db2.gz MGBKJNWGSHQWML-SFHVURJKSA-N 1 0 409.490 1.445 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000013572667 558542614 /nfs/dbraw/zinc/54/26/14/558542614.db2.gz GJGPTLOXECCNTI-QCUYGVNKSA-N 1 0 423.922 1.460 50 0 HDAARO COc1cc(CN2CC[NH+](CC3CC3)CC2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000023375489 558554949 /nfs/dbraw/zinc/55/49/49/558554949.db2.gz JOVGEHZTQFGLRZ-NRFANRHFSA-N 1 0 419.566 1.295 50 0 HDAARO Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(C(=O)c3ccccc3)CC1)c(=O)n2C ZINC000025946943 558652765 /nfs/dbraw/zinc/65/27/65/558652765.db2.gz KOMLYRNBCDEHBV-UHFFFAOYSA-N 1 0 409.490 1.419 50 0 HDAARO Cc1nn(C)cc1C[NH+]1CCC2(CC1)C(=O)N(CCCc1ccncc1)C(=O)N2C ZINC000014536431 558658194 /nfs/dbraw/zinc/65/81/94/558658194.db2.gz UDYFDESCKPEQOC-UHFFFAOYSA-N 1 0 410.522 1.985 50 0 HDAARO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+]([C@@H](C)COC)CC2 ZINC000014542250 558660361 /nfs/dbraw/zinc/66/03/61/558660361.db2.gz DPUVMTRPEIOFEW-KRWDZBQOSA-N 1 0 419.522 1.975 50 0 HDAARO CC(C)[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3cnn(-c4cccc(Cl)c4)c3)CN2C1=O ZINC000014744086 558668215 /nfs/dbraw/zinc/66/82/15/558668215.db2.gz RMYXRYBAUHDBII-SZMVWBNQSA-N 1 0 401.898 1.739 50 0 HDAARO COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+]([C@@H](C)COC)CC2 ZINC000014751857 558671130 /nfs/dbraw/zinc/67/11/30/558671130.db2.gz HNQLIGKXWOHCHE-KRWDZBQOSA-N 1 0 415.534 1.934 50 0 HDAARO COc1cccc(N2CCN(C(=O)C[C@H]3C(=O)NCC[N@H+]3CCC(C)C)CC2=O)c1 ZINC000014978688 558690171 /nfs/dbraw/zinc/69/01/71/558690171.db2.gz IPPGJYHTRGVXNG-IBGZPJMESA-N 1 0 416.522 1.107 50 0 HDAARO CC[NH+](CC)[C@@H](C(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1)c1ccccc1 ZINC000072274132 558699456 /nfs/dbraw/zinc/69/94/56/558699456.db2.gz QXJRYWIGNOUHKA-OAQYLSRUSA-N 1 0 412.538 1.679 50 0 HDAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@@]21c2cc(Cl)ccc2NC1=O ZINC000016024973 558768820 /nfs/dbraw/zinc/76/88/20/558768820.db2.gz BXFSNOBRBARMKI-PJKOAEBMSA-N 1 0 418.881 1.124 50 0 HDAARO O=C(NCCC[NH+]1CCCC1)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000004598402 558834254 /nfs/dbraw/zinc/83/42/54/558834254.db2.gz GPIVKNLQMSYUTK-IRXDYDNUSA-N 1 0 422.576 1.583 50 0 HDAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CN3CCCCC3=O)C2)CC1 ZINC000055154081 558874491 /nfs/dbraw/zinc/87/44/91/558874491.db2.gz CWDMHDYDUAZWOM-IBGZPJMESA-N 1 0 414.550 1.821 50 0 HDAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)CCc3nc(-c4ccccn4)no3)cn2)CC1 ZINC000058101175 558898840 /nfs/dbraw/zinc/89/88/40/558898840.db2.gz YJSIQZWHPABONE-UHFFFAOYSA-N 1 0 421.505 1.918 50 0 HDAARO CCc1nc(C)cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071749742 558909103 /nfs/dbraw/zinc/90/91/03/558909103.db2.gz ZCTDXFJAKNLBTD-GOSISDBHSA-N 1 0 401.555 1.887 50 0 HDAARO O=C([C@@H]1CCC[N@@H+](C2CCN(c3nnnn3-c3ccccc3)CC2)C1)N1CCCC1 ZINC000071754330 558909291 /nfs/dbraw/zinc/90/92/91/558909291.db2.gz QVFRJLZVUQLIBV-GOSISDBHSA-N 1 0 409.538 1.966 50 0 HDAARO CCn1ccnc1CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071759436 558909886 /nfs/dbraw/zinc/90/98/86/558909886.db2.gz PGAOFVGHVHPTCL-GOSISDBHSA-N 1 0 401.555 1.974 50 0 HDAARO CCc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCN(C)CC4)C3)CC2)ncn1 ZINC000071764416 558910345 /nfs/dbraw/zinc/91/03/45/558910345.db2.gz VINWTVFUHWCPHC-SFHVURJKSA-N 1 0 400.571 1.494 50 0 HDAARO CC1CC[NH+](Cc2cccc(CNS(=O)(=O)c3cc(C(N)=O)n(C)c3)c2)CC1 ZINC000058244294 558914361 /nfs/dbraw/zinc/91/43/61/558914361.db2.gz QFICQBSSDDJBFJ-UHFFFAOYSA-N 1 0 404.536 1.834 50 0 HDAARO O=C(c1cnc[nH]c1=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072141594 558929122 /nfs/dbraw/zinc/92/91/22/558929122.db2.gz KHFATZPVHUGKNZ-QGZVFWFLSA-N 1 0 401.898 1.850 50 0 HDAARO CN1CCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2CC(c2ccccc2)c2ccccc2)CC1 ZINC000072150903 558929744 /nfs/dbraw/zinc/92/97/44/558929744.db2.gz IGEFPRBULGKLKM-QHCPKHFHSA-N 1 0 420.557 1.783 50 0 HDAARO CCNc1cc(N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)nc(C)[nH+]1 ZINC000065364849 558976006 /nfs/dbraw/zinc/97/60/06/558976006.db2.gz OVEYWVRLKLBERR-UHFFFAOYSA-N 1 0 421.523 1.745 50 0 HDAARO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)Cn3c4ccccc4n(C)c(=O)c3=O)C2)cc1 ZINC000021943826 558979568 /nfs/dbraw/zinc/97/95/68/558979568.db2.gz CJPXPKYKTYNQDZ-LJQANCHMSA-N 1 0 420.513 1.647 50 0 HDAARO COc1cccc(CN2CCC[C@@](O)(C[N@@H+]3CCc4nc(N)sc4C3)C2=O)c1 ZINC000067434458 558986582 /nfs/dbraw/zinc/98/65/82/558986582.db2.gz MWQDWRMUGWEYNW-HXUWFJFHSA-N 1 0 402.520 1.646 50 0 HDAARO Cc1cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)nc(N2CCOCC2)[nH+]1 ZINC000067604507 558988641 /nfs/dbraw/zinc/98/86/41/558988641.db2.gz SDUJFWMNEFLMBL-UHFFFAOYSA-N 1 0 403.433 1.862 50 0 HDAARO CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2)CC1 ZINC000067620684 558989487 /nfs/dbraw/zinc/98/94/87/558989487.db2.gz YRVJFCMEKVWBRT-UHFFFAOYSA-N 1 0 422.595 1.226 50 0 HDAARO CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000067629574 558990213 /nfs/dbraw/zinc/99/02/13/558990213.db2.gz HCFUJVFCAMMVAG-MRXNPFEDSA-N 1 0 424.567 1.617 50 0 HDAARO CS[C@H]1CN(S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000097097545 558992403 /nfs/dbraw/zinc/99/24/03/558992403.db2.gz SKHGGXJYVIMRPW-ROUUACIJSA-N 1 0 412.577 1.961 50 0 HDAARO [NH3+][C@@H](CO)C(=O)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1 ZINC000077379596 559003011 /nfs/dbraw/zinc/00/30/11/559003011.db2.gz YMLAQBGVQYIDTR-IBGZPJMESA-N 1 0 415.515 1.032 50 0 HDAARO CSCCC(=O)N1CCC2(CN(CCCN3CC[C@@H]([NH+](C)C)C3)C(=O)O2)CC1 ZINC000077419542 559004413 /nfs/dbraw/zinc/00/44/13/559004413.db2.gz QPTMOYRWUDKKOH-QGZVFWFLSA-N 1 0 412.600 1.579 50 0 HDAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)c3ncc(F)cc3F)CC2)OC1=O ZINC000077470017 559006342 /nfs/dbraw/zinc/00/63/42/559006342.db2.gz NFGLYZQRNYCNHU-UHFFFAOYSA-N 1 0 412.437 1.365 50 0 HDAARO Cc1cn2cc(CNC(=O)c3ccc(CN4CC[C@H]5C[NH2+]C[C@H]54)[nH]c3=O)nc2s1 ZINC000077504947 559007553 /nfs/dbraw/zinc/00/75/53/559007553.db2.gz WQWPPDKYUUYVJT-SUMWQHHRSA-N 1 0 412.519 1.116 50 0 HDAARO CN(C)C(=O)CCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082097638 559037699 /nfs/dbraw/zinc/03/76/99/559037699.db2.gz MUTDUTWPZUNYSO-FQEVSTJZSA-N 1 0 415.582 1.743 50 0 HDAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC000082121661 559039553 /nfs/dbraw/zinc/03/95/53/559039553.db2.gz ALCKLVCREWILDS-SFHVURJKSA-N 1 0 410.522 1.480 50 0 HDAARO CCCS(=O)(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082138444 559040481 /nfs/dbraw/zinc/04/04/81/559040481.db2.gz GRPMUKXJAUDSQI-QGZVFWFLSA-N 1 0 408.568 1.614 50 0 HDAARO CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000082162145 559041958 /nfs/dbraw/zinc/04/19/58/559041958.db2.gz KCBLDVSJCGJHTI-OAQYLSRUSA-N 1 0 413.566 1.449 50 0 HDAARO CNc1ccnc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082170835 559042194 /nfs/dbraw/zinc/04/21/94/559042194.db2.gz MHDWITIOSMGFBP-QGZVFWFLSA-N 1 0 409.538 1.911 50 0 HDAARO O=C(NCC[NH+]1CCCC1)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC000033292295 559046167 /nfs/dbraw/zinc/04/61/67/559046167.db2.gz NLUTWXCTYVPEPP-UHFFFAOYSA-N 1 0 419.507 1.347 50 0 HDAARO COc1cc(N2C[C@H](C(=O)N3CCC(C[NH+](C)C)CC3)CC2=O)cc(OC)c1OC ZINC000072284857 559068148 /nfs/dbraw/zinc/06/81/48/559068148.db2.gz SQJBNQHSIRUSGC-MRXNPFEDSA-N 1 0 419.522 1.866 50 0 HDAARO O=C(C[C@H]1COCC[NH2+]1)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000095368322 559080283 /nfs/dbraw/zinc/08/02/83/559080283.db2.gz MCKSORTYGKSUKV-IBGZPJMESA-N 1 0 400.523 1.234 50 0 HDAARO O[C@H](COc1cccc(CN2CC(N3CCOCC3)C2)c1)C[NH+]1CCCCCC1 ZINC000095496979 559081547 /nfs/dbraw/zinc/08/15/47/559081547.db2.gz SCYHQQWKUUNCAY-QFIPXVFZSA-N 1 0 403.567 1.819 50 0 HDAARO COc1cc(C[N@H+](C)Cc2cccnc2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000095502373 559082569 /nfs/dbraw/zinc/08/25/69/559082569.db2.gz JXFJHRJUIKDGEF-FQEVSTJZSA-N 1 0 401.507 1.794 50 0 HDAARO COc1ccc(CN2CCS(=O)(=O)CC2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095503964 559082894 /nfs/dbraw/zinc/08/28/94/559082894.db2.gz RIVQZDQNIQSJSS-QGZVFWFLSA-N 1 0 400.541 1.006 50 0 HDAARO C[NH+](C)CCNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000095521512 559085365 /nfs/dbraw/zinc/08/53/65/559085365.db2.gz ILCGOZPWZLTWBN-UHFFFAOYSA-N 1 0 403.932 1.434 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)CC1 ZINC000100152874 559130902 /nfs/dbraw/zinc/13/09/02/559130902.db2.gz QZIKMTSBJFAIGO-QGZVFWFLSA-N 1 0 402.470 1.263 50 0 HDAARO COc1cccc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@H]3C(=O)N(CC[NH+](C)C)C(=O)[C@@H]32)c1OC ZINC000248010196 559259193 /nfs/dbraw/zinc/25/91/93/559259193.db2.gz PDGGZHFADDVANG-ZFUMWYBOSA-N 1 0 413.474 1.235 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000137288801 559279685 /nfs/dbraw/zinc/27/96/85/559279685.db2.gz VRCLJQBGOBULPA-NQIIRXRSSA-N 1 0 420.513 1.991 50 0 HDAARO C[NH+](C)[C@H](CNC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)c1cccs1 ZINC000062581208 560631715 /nfs/dbraw/zinc/63/17/15/560631715.db2.gz LXOOPOXGHHPADC-LSDHHAIUSA-N 1 0 402.586 1.854 50 0 HDAARO Cn1c2ccc(S(=O)(=O)NC[C@@H](c3ccco3)N3CCCC3)cc2n(C)c1=O ZINC000051134333 560811570 /nfs/dbraw/zinc/81/15/70/560811570.db2.gz AEPVXEGEZRCTIH-KRWDZBQOSA-N 1 0 404.492 1.585 50 0 HDAARO O=C(Nc1ccccc1)c1c(=O)n(-c2ccccc2)[n-][n+]1C[C@@H](O)C[NH+]1CCCCC1 ZINC000025182949 560891293 /nfs/dbraw/zinc/89/12/93/560891293.db2.gz LKPCGKYJHWHMHB-FQEVSTJZSA-O 1 0 422.509 1.965 50 0 HDAARO COc1ccc(C(=O)N2CCN(C[C@H]3C[N@H+](C[C@H](O)C(C)C)CCO3)CC2)cc1 ZINC000106681240 560893122 /nfs/dbraw/zinc/89/31/22/560893122.db2.gz QLAHAXZKDAHRTO-SFTDATJTSA-N 1 0 405.539 1.171 50 0 HDAARO Cc1cc(C)n2nc(C(=O)NCCCN3CC[N@@H+](C)C[C@H]3c3ccccc3)nc2n1 ZINC000109025641 568420815 /nfs/dbraw/zinc/42/08/15/568420815.db2.gz YFXLRJKPBPDTGJ-IBGZPJMESA-N 1 0 407.522 1.850 50 0 HDAARO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000048308693 568436417 /nfs/dbraw/zinc/43/64/17/568436417.db2.gz DCCVNCSKNWXBNJ-PMACEKPBSA-N 1 0 416.501 1.618 50 0 HDAARO CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000049930680 568453702 /nfs/dbraw/zinc/45/37/02/568453702.db2.gz SDKNWCKGZRHARO-SFHVURJKSA-N 1 0 403.523 1.649 50 0 HDAARO COc1ccc(S(=O)(=O)NCCCN2CC[NH+](C)CC2)cc1Br ZINC000020726314 568457945 /nfs/dbraw/zinc/45/79/45/568457945.db2.gz BBUYCMRFCAAERW-UHFFFAOYSA-N 1 0 406.346 1.374 50 0 HDAARO COc1ccc(NC(=O)c2nnc(COCC(=O)NCC[NH+]3CCCC3)s2)cc1 ZINC000032987407 568510509 /nfs/dbraw/zinc/51/05/09/568510509.db2.gz FUHMOHJDODBZRJ-UHFFFAOYSA-N 1 0 419.507 1.528 50 0 HDAARO CCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCC[NH+](CC)CC)CC1 ZINC000020287886 568597214 /nfs/dbraw/zinc/59/72/14/568597214.db2.gz OAHJPOATIDDZAC-PKOBYXMFSA-N 1 0 423.627 1.389 50 0 HDAARO CC[NH+]1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1 ZINC000020354946 568599722 /nfs/dbraw/zinc/59/97/22/568599722.db2.gz CVVXOVVAPZYCEX-UHFFFAOYSA-N 1 0 416.913 1.263 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)CN2C(=O)CSc3nc(C)cc(C)c32)CC1 ZINC000020415205 568605905 /nfs/dbraw/zinc/60/59/05/568605905.db2.gz CTRHDVMFUDMITF-UHFFFAOYSA-N 1 0 405.568 1.281 50 0 HDAARO C[C@@H]1Oc2ccccc2N(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1=O ZINC000095426532 568608173 /nfs/dbraw/zinc/60/81/73/568608173.db2.gz YNLHLKONCYNHNY-IEZWGBDMSA-N 1 0 401.507 1.685 50 0 HDAARO Cc1c(C(=O)NCCCN2CC[NH+](C)CC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000020489110 568614129 /nfs/dbraw/zinc/61/41/29/568614129.db2.gz FJRNWILVZCMBFT-UHFFFAOYSA-N 1 0 417.579 1.860 50 0 HDAARO CCC[C@@H]1CN(C(=O)CCN2C(=O)c3ccc(C)cc3C2=O)CC[N@@H+]1CCOC ZINC000095452760 568615318 /nfs/dbraw/zinc/61/53/18/568615318.db2.gz ZCMKENWUFVLKKI-QGZVFWFLSA-N 1 0 401.507 1.940 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)CCn2c(=O)c3cccn3c3cccnc32)CC1 ZINC000020512742 568621848 /nfs/dbraw/zinc/62/18/48/568621848.db2.gz QBTCJTRAQFBSTK-UHFFFAOYSA-N 1 0 410.522 1.183 50 0 HDAARO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)c1 ZINC000020614257 568637722 /nfs/dbraw/zinc/63/77/22/568637722.db2.gz REFNESMBLORAEJ-IBGZPJMESA-N 1 0 424.501 1.767 50 0 HDAARO COc1ccc(S(=O)(=O)N2CCC(NC(=O)NCC[NH+]3CCCCC3)CC2)cc1 ZINC000020869285 568647184 /nfs/dbraw/zinc/64/71/84/568647184.db2.gz VBEXUEBRZZVASI-UHFFFAOYSA-N 1 0 424.567 1.633 50 0 HDAARO C[NH+]1CCN(CCCNC(=O)c2cccn2-c2nnc(N3CCCC3)s2)CC1 ZINC000020980793 568654562 /nfs/dbraw/zinc/65/45/62/568654562.db2.gz KYHRICNZQPSUCA-UHFFFAOYSA-N 1 0 403.556 1.296 50 0 HDAARO CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1cccn1C)N1CC[NH+](C)CC1 ZINC000021157097 568673938 /nfs/dbraw/zinc/67/39/38/568673938.db2.gz SPZTXEYVAZASDY-LJQANCHMSA-N 1 0 413.522 1.467 50 0 HDAARO C[C@@H]1[C@@H](NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCC[N@@H+]1C ZINC000096010240 568683712 /nfs/dbraw/zinc/68/37/12/568683712.db2.gz NFXLZIZQVZTWTK-DOMZBBRYSA-N 1 0 418.357 1.716 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000096210263 568704327 /nfs/dbraw/zinc/70/43/27/568704327.db2.gz SJCIAXZAFULNMB-HXUWFJFHSA-N 1 0 416.522 1.846 50 0 HDAARO Cn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000021529836 568710367 /nfs/dbraw/zinc/71/03/67/568710367.db2.gz WOJWYMWRQHHWTF-UHFFFAOYSA-N 1 0 415.513 1.812 50 0 HDAARO O=C(CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000021534270 568711668 /nfs/dbraw/zinc/71/16/68/568711668.db2.gz MGFBNCMRTULHMP-UHFFFAOYSA-N 1 0 423.485 1.978 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)c2cccn2-c2nnc(N3CCCC3)s2)CC1 ZINC000021535237 568711811 /nfs/dbraw/zinc/71/18/11/568711811.db2.gz PEHGTKNJXBWBHO-UHFFFAOYSA-N 1 0 417.583 1.686 50 0 HDAARO Cc1cc(C)c2c(-n3cccc3)nn(CC(=O)NCCCN3CC[NH+](C)CC3)c2n1 ZINC000021539900 568713297 /nfs/dbraw/zinc/71/32/97/568713297.db2.gz FMMLAZSEDQDJDJ-UHFFFAOYSA-N 1 0 409.538 1.593 50 0 HDAARO Cc1ccc(N2N=C(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)NCC2=O)cc1 ZINC000025015251 568714346 /nfs/dbraw/zinc/71/43/46/568714346.db2.gz UMOSULYIOXTSCU-UHFFFAOYSA-N 1 0 405.502 1.809 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1 ZINC000001118576 568771120 /nfs/dbraw/zinc/77/11/20/568771120.db2.gz CQUTWFIMAOEGFZ-UHFFFAOYSA-N 1 0 401.536 1.987 50 0 HDAARO COC(=O)c1ccc(NC(=O)C(=O)NCC2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000225575618 568774511 /nfs/dbraw/zinc/77/45/11/568774511.db2.gz NDFLZEYAMXGXBY-KRWDZBQOSA-N 1 0 405.520 1.745 50 0 HDAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH2+]Cc1cccnc1 ZINC000057341520 568827312 /nfs/dbraw/zinc/82/73/12/568827312.db2.gz KKQJXWOYXLNLPJ-UHFFFAOYSA-N 1 0 404.492 1.139 50 0 HDAARO Nc1cc(N)[nH+]c(SCCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n1 ZINC000012521652 568842054 /nfs/dbraw/zinc/84/20/54/568842054.db2.gz LYIFEKCAYWNIAM-UHFFFAOYSA-N 1 0 422.536 1.546 50 0 HDAARO Cc1noc(C)c1C(=O)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299757324 568872908 /nfs/dbraw/zinc/87/29/08/568872908.db2.gz LPGUKUQFZDOYFF-SFHVURJKSA-N 1 0 404.511 1.371 50 0 HDAARO O=C(Cc1cccc(F)c1)NC[C@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1 ZINC000299763296 568873607 /nfs/dbraw/zinc/87/36/07/568873607.db2.gz YXSTWZQCEKVWFT-FQEVSTJZSA-N 1 0 403.498 1.729 50 0 HDAARO O=C(Cc1ccc(F)cc1)NC[C@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1 ZINC000299782011 568875171 /nfs/dbraw/zinc/87/51/71/568875171.db2.gz MDALSTHEYJCABF-FQEVSTJZSA-N 1 0 403.498 1.729 50 0 HDAARO O=C(NC[C@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1)c1cc(F)ccc1F ZINC000299786269 568875678 /nfs/dbraw/zinc/87/56/78/568875678.db2.gz SGNFTEUEDFFQRM-KRWDZBQOSA-N 1 0 407.461 1.939 50 0 HDAARO COc1ccc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)o1 ZINC000299798112 568876539 /nfs/dbraw/zinc/87/65/39/568876539.db2.gz PNWDDSYASAIRBX-QGZVFWFLSA-N 1 0 405.495 1.367 50 0 HDAARO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000058157753 568893587 /nfs/dbraw/zinc/89/35/87/568893587.db2.gz GCBJMEJUHONSAD-UHFFFAOYSA-N 1 0 412.519 1.626 50 0 HDAARO CC(=O)N1CCC(C[NH2+]C[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)CC1 ZINC000012764068 568947278 /nfs/dbraw/zinc/94/72/78/568947278.db2.gz MGGUPDHEAIIGAP-NRFANRHFSA-N 1 0 409.477 1.666 50 0 HDAARO CN1CCN(S(=O)(=O)c2cccc(C(=O)NCC3([NH+](C)C)CCCCC3)c2)CC1 ZINC000012774956 568953655 /nfs/dbraw/zinc/95/36/55/568953655.db2.gz NBVLBSSOZIQTEY-UHFFFAOYSA-N 1 0 422.595 1.617 50 0 HDAARO Cc1ccc(Cn2c3c(nc2N2CC[NH+](CCC(C)C)CC2)n(C)c(=O)[nH]c3=O)cc1 ZINC000004316505 568962053 /nfs/dbraw/zinc/96/20/53/568962053.db2.gz OATXGJXBLPCCOR-UHFFFAOYSA-N 1 0 424.549 1.948 50 0 HDAARO O=S(=O)(c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1)N1CCOCC1 ZINC000007980981 568963659 /nfs/dbraw/zinc/96/36/59/568963659.db2.gz LRERYWOEMZXQBH-SFHVURJKSA-N 1 0 402.520 1.789 50 0 HDAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2nc(CS(=O)(=O)c3ccccc3)no2)C1 ZINC000015786765 569007610 /nfs/dbraw/zinc/00/76/10/569007610.db2.gz NBHGCUYKBAORMK-OAHLLOKOSA-N 1 0 406.508 1.895 50 0 HDAARO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2)c(C)c1 ZINC000015864182 569016430 /nfs/dbraw/zinc/01/64/30/569016430.db2.gz QUMMHJYZJNPFMT-UHFFFAOYSA-N 1 0 401.532 1.926 50 0 HDAARO O=C(NCC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000575415686 569025674 /nfs/dbraw/zinc/02/56/74/569025674.db2.gz ORSLVGYINIPCTE-IBGZPJMESA-N 1 0 414.506 1.369 50 0 HDAARO Cc1cc(C(=O)NC[C@@H](C(C)C)N2CCOCC2)cc(S(=O)(=O)N(C)C)c1C ZINC000012947810 569029252 /nfs/dbraw/zinc/02/92/52/569029252.db2.gz QWBBVCJJFWIPFJ-SFHVURJKSA-N 1 0 411.568 1.640 50 0 HDAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000035361887 569033702 /nfs/dbraw/zinc/03/37/02/569033702.db2.gz OKISHOABKILAIY-MLDUYPQVSA-N 1 0 405.410 1.418 50 0 biogenic HDAARO CCC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)CC1 ZINC000035505915 569040881 /nfs/dbraw/zinc/04/08/81/569040881.db2.gz FATYOERMSVSGQL-KRWDZBQOSA-N 1 0 411.572 1.419 50 0 HDAARO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NC[C@@H](C(C)C)[NH+](C)C)CC2)c1 ZINC000012979188 569042629 /nfs/dbraw/zinc/04/26/29/569042629.db2.gz DUVWUKFSTVCYHP-SFHVURJKSA-N 1 0 410.584 1.906 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)no1 ZINC000035512971 569043237 /nfs/dbraw/zinc/04/32/37/569043237.db2.gz AAKWFPIDDFXPFG-CQSZACIVSA-N 1 0 407.496 1.201 50 0 HDAARO O=C(NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1c[nH]c(=O)c2ccccc12 ZINC000524729709 569051610 /nfs/dbraw/zinc/05/16/10/569051610.db2.gz FUXQPYBRHZAHIL-CVEARBPZSA-N 1 0 404.470 1.951 50 0 biogenic HDAARO CC[NH+](CC)CCC[C@H](C)NC(=O)CCN(CCOC)C(=O)c1cnc(C)cn1 ZINC000035819186 569061419 /nfs/dbraw/zinc/06/14/19/569061419.db2.gz OLDWQOLJOIMRLW-KRWDZBQOSA-N 1 0 407.559 1.890 50 0 HDAARO CSCC[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)NCC[NH+](C)C ZINC000006559548 569065724 /nfs/dbraw/zinc/06/57/24/569065724.db2.gz VQYRXJOAGGNRBY-CQSZACIVSA-N 1 0 411.952 1.557 50 0 HDAARO Cn1c(SCc2cc(=O)n3nc(C4CC4)sc3n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000426425437 569072998 /nfs/dbraw/zinc/07/29/98/569072998.db2.gz NUYOUQPKRRVDLG-LLVKDONJSA-N 1 0 403.537 1.916 50 0 HDAARO CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCC[NH+](C)C)c1=O)COC(C)(C)C3 ZINC000006756223 569112647 /nfs/dbraw/zinc/11/26/47/569112647.db2.gz LYZUYGMATZPELH-UHFFFAOYSA-N 1 0 423.535 1.591 50 0 HDAARO O=C(NCCC[NH+]1CCCCC1)C1CCN(c2cncnc2N2CCOCC2)CC1 ZINC000065226797 569200041 /nfs/dbraw/zinc/20/00/41/569200041.db2.gz WORICHAUMBKQRG-UHFFFAOYSA-N 1 0 416.570 1.522 50 0 HDAARO C[C@H](C(=O)NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1Cc2ccccc2C1=O ZINC000524731262 569212274 /nfs/dbraw/zinc/21/22/74/569212274.db2.gz QKOUNSHECBPHJA-LMMKCTJWSA-N 1 0 420.513 1.428 50 0 biogenic HDAARO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCc2sc(C(=O)N3CCOCC3)cc2C1 ZINC000065272835 569215927 /nfs/dbraw/zinc/21/59/27/569215927.db2.gz LZGCWYJRWHGVIS-MRXNPFEDSA-N 1 0 405.564 1.928 50 0 HDAARO CCC[NH+]1CCN(C(=O)CN2c3ccc(F)cc3C(=O)N3CCC[C@H]3C2=O)CC1 ZINC000065306856 569220821 /nfs/dbraw/zinc/22/08/21/569220821.db2.gz JFNBEVHHPNXYRB-SFHVURJKSA-N 1 0 402.470 1.331 50 0 HDAARO CCOC(=O)[C@H]1CCCN(Cc2nc3nc(C)cc(N4CC[NH+](CC)CC4)n3n2)C1 ZINC000065311648 569220899 /nfs/dbraw/zinc/22/08/99/569220899.db2.gz PXCCUBMSYBUYCZ-KRWDZBQOSA-N 1 0 415.542 1.350 50 0 HDAARO O=C(CCc1ccccc1Br)NCCCC[NH+]1CCN(CCO)CC1 ZINC000089813884 569266417 /nfs/dbraw/zinc/26/64/17/569266417.db2.gz OMZRJWCNCGCMNA-UHFFFAOYSA-N 1 0 412.372 1.888 50 0 HDAARO COc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCCC4)cc(C)[nH+]3)CC2)cc1 ZINC000017012763 569271539 /nfs/dbraw/zinc/27/15/39/569271539.db2.gz WVAPLWYNTGFBQB-UHFFFAOYSA-N 1 0 417.535 1.905 50 0 HDAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)[nH+]1 ZINC000007451856 569280567 /nfs/dbraw/zinc/28/05/67/569280567.db2.gz DZVWWLYRTNSWHU-UHFFFAOYSA-N 1 0 411.462 1.313 50 0 HDAARO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000252477496 569288538 /nfs/dbraw/zinc/28/85/38/569288538.db2.gz PIUQXFQOOQYOPA-ROUUACIJSA-N 1 0 422.551 1.798 50 0 HDAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCNC(=O)c2nccc3ccccc32)CC1 ZINC000252496587 569290952 /nfs/dbraw/zinc/29/09/52/569290952.db2.gz PMJBKHCOHFIUKR-LJQANCHMSA-N 1 0 414.550 1.758 50 0 HDAARO Cn1c2nc3n(cc(-c4ccccc4)n3CCC[NH+]3CCOCC3)c2c(=O)n(C)c1=O ZINC000012437021 569401272 /nfs/dbraw/zinc/40/12/72/569401272.db2.gz WSUYPTFDMDGULA-UHFFFAOYSA-N 1 0 422.489 1.076 50 0 HDAARO O=C(CN1C[C@@H](CO)Oc2ccccc21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000079106761 569427646 /nfs/dbraw/zinc/42/76/46/569427646.db2.gz HOLFUOJJCAAQKO-SFHVURJKSA-N 1 0 403.523 1.398 50 0 HDAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@@H]1c1ccccc1OCC ZINC000067286861 571065064 /nfs/dbraw/zinc/06/50/64/571065064.db2.gz POROYHBWZCOTHH-HXUWFJFHSA-N 1 0 416.522 1.894 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000245276783 571222256 /nfs/dbraw/zinc/22/22/56/571222256.db2.gz WBTQCHLHWMXQJH-LSDHHAIUSA-N 1 0 404.540 1.276 50 0 HDAARO Cc1nn(CC(=O)NCC[N@H+]2CCCC[C@@H]2C)c(=O)c2cc(-c3ccccc3)nn21 ZINC000009727635 571282585 /nfs/dbraw/zinc/28/25/85/571282585.db2.gz TZARAMUWKHDPGC-INIZCTEOSA-N 1 0 408.506 1.857 50 0 HDAARO Cc1cn2c(nc3c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n3C)n1CC[NH+](C)C ZINC000010233399 571297639 /nfs/dbraw/zinc/29/76/39/571297639.db2.gz SLBRGXUPMIUUDQ-UHFFFAOYSA-N 1 0 408.506 1.685 50 0 HDAARO CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1cnn(-c2ccc(F)cc2)c1 ZINC000012432616 1073950451 /nfs/dbraw/zinc/95/04/51/1073950451.db2.gz IQYRXEZRIFZTKV-IBGZPJMESA-N 1 0 401.486 1.864 50 0 HDAARO COc1ccccc1N1CC[NH+](CCCN2CC(=O)N3CCCC[C@@H]3C2=O)CC1 ZINC000000633314 132229533 /nfs/dbraw/zinc/22/95/33/132229533.db2.gz SCDJWHCTLZJPMP-LJQANCHMSA-N 1 0 400.523 1.431 50 0 HDAARO CCCCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000045974700 520442321 /nfs/dbraw/zinc/44/23/21/520442321.db2.gz BZOXCXKEXKXXPV-UHFFFAOYSA-N 1 0 403.932 1.571 50 0 HDAARO COc1cc(NC(=O)C(=O)NCCC[N@H+](C)C(C)C)c(C(=O)N(C)C)cc1OC ZINC000041717348 522641026 /nfs/dbraw/zinc/64/10/26/522641026.db2.gz LOIJMOMSRQTWID-UHFFFAOYSA-N 1 0 408.499 1.191 50 0 HDAARO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000032911881 524041201 /nfs/dbraw/zinc/04/12/01/524041201.db2.gz BFSNVMXAJRAYNU-UHFFFAOYSA-N 1 0 415.581 1.576 50 0 HDAARO COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974335 525013243 /nfs/dbraw/zinc/01/32/43/525013243.db2.gz JEMCSYSAYSPWAX-UHFFFAOYSA-N 1 0 417.531 1.360 50 0 HDAARO Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000045974349 525512476 /nfs/dbraw/zinc/51/24/76/525512476.db2.gz PGPDQXAWPIGLCD-UHFFFAOYSA-N 1 0 415.559 1.969 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccc(C)cc1 ZINC000009420231 535502688 /nfs/dbraw/zinc/50/26/88/535502688.db2.gz ACZNHZTZLMVFJR-ZWKOTPCHSA-N 1 0 422.489 1.313 50 0 HDAARO COC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000000842614 557098046 /nfs/dbraw/zinc/09/80/46/557098046.db2.gz YNHSAGSGYLYVJR-QGZVFWFLSA-N 1 0 412.442 1.955 50 0 HDAARO O=C(C[C@@H]1[NH2+]CCC[C@H]1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O ZINC000001849659 557292042 /nfs/dbraw/zinc/29/20/42/557292042.db2.gz LVASCWIMLIKXLA-LSDHHAIUSA-N 1 0 414.687 1.885 50 0 endogenous,investigational HDAARO OCC(CO)(CO)[NH2+]C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000005616496 557665557 /nfs/dbraw/zinc/66/55/57/557665557.db2.gz GETQKLUOZMYHGE-CQSZACIVSA-N 1 0 413.301 1.768 50 0 HDAARO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022767086 557814894 /nfs/dbraw/zinc/81/48/94/557814894.db2.gz WDVZMRKUQVVDEU-LJQANCHMSA-N 1 0 422.576 1.974 50 0 HDAARO COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1 ZINC000022796069 557822832 /nfs/dbraw/zinc/82/28/32/557822832.db2.gz YWCBBRZISQIJRG-FQEVSTJZSA-N 1 0 414.481 1.878 50 0 HDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCc2cccs2)c2ccc(F)cc2)CC1 ZINC000022795811 557822902 /nfs/dbraw/zinc/82/29/02/557822902.db2.gz XWDOASAJZQDISV-SFHVURJKSA-N 1 0 404.511 1.608 50 0 HDAARO Cc1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022796493 557823256 /nfs/dbraw/zinc/82/32/56/557823256.db2.gz RQZLQQQMMSJAKH-OAQYLSRUSA-N 1 0 412.509 1.855 50 0 HDAARO COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000011768527 558274085 /nfs/dbraw/zinc/27/40/85/558274085.db2.gz HAFDOZSZGXNQCU-GOSISDBHSA-N 1 0 403.523 1.869 50 0 HDAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000020205135 558346980 /nfs/dbraw/zinc/34/69/80/558346980.db2.gz GRZDRCBJCWDNSN-UHFFFAOYSA-N 1 0 412.494 1.261 50 0 HDAARO CCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(CC[NH+]1CCCCC1)c(=O)n2C ZINC000012231988 558358109 /nfs/dbraw/zinc/35/81/09/558358109.db2.gz BZQMAIQTXOJNLU-UHFFFAOYSA-N 1 0 413.526 1.513 50 0 HDAARO COc1cccc(C[NH2+]CCCc2cccnc2)c1OC[C@H](O)CN1CCOCC1 ZINC000012307828 558376427 /nfs/dbraw/zinc/37/64/27/558376427.db2.gz JHAOXNJAJADDAX-OAQYLSRUSA-N 1 0 415.534 1.885 50 0 HDAARO CCN1c2ccc(Br)cc2[C@H](NC(=O)C(=O)NCCC[NH+](C)C)C1=O ZINC000020622992 558394401 /nfs/dbraw/zinc/39/44/01/558394401.db2.gz YFHULIDSCDRLGT-AWEZNQCLSA-N 1 0 411.300 1.041 50 0 HDAARO Cc1nn(-c2ccccc2)c2c1nc(CCC(=O)NCC[NH+]1CCCCC1)c(=O)n2C ZINC000021640918 558444461 /nfs/dbraw/zinc/44/44/61/558444461.db2.gz CKBWYWGYWZUZRD-UHFFFAOYSA-N 1 0 422.533 1.962 50 0 HDAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)[nH+]1 ZINC000021793869 558449207 /nfs/dbraw/zinc/44/92/07/558449207.db2.gz HMWVMVPWDAEMJH-UHFFFAOYSA-N 1 0 411.462 1.313 50 0 HDAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)cc1 ZINC000021794628 558449365 /nfs/dbraw/zinc/44/93/65/558449365.db2.gz ZYBBJOVMLXXDIR-UHFFFAOYSA-N 1 0 418.523 1.320 50 0 HDAARO CNC(=O)c1nn(CN2CC[NH+](Cc3cccc(C)c3)CC2)c(=O)c2ccccc21 ZINC000022930727 558524252 /nfs/dbraw/zinc/52/42/52/558524252.db2.gz KRFJFNAJDVFBTD-UHFFFAOYSA-N 1 0 405.502 1.840 50 0 HDAARO CC[NH+](CC)[C@H](CNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)Cc1ccccc1 ZINC000023197312 558542058 /nfs/dbraw/zinc/54/20/58/558542058.db2.gz UXMMDJGKYAJUKR-AVRDEDQJSA-N 1 0 400.523 1.776 50 0 HDAARO CC[NH+](CC)[C@@H](CNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)Cc1ccccc1 ZINC000023197309 558542169 /nfs/dbraw/zinc/54/21/69/558542169.db2.gz UXMMDJGKYAJUKR-GCJKJVERSA-N 1 0 400.523 1.776 50 0 HDAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc3c(c1)CCO3)CC2)c1ccoc1 ZINC000023337579 558549686 /nfs/dbraw/zinc/54/96/86/558549686.db2.gz ABJYFCPMRRZHIC-UHFFFAOYSA-N 1 0 407.474 1.837 50 0 HDAARO COc1ccccc1COC[C@@H](O)C[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000025307608 558637228 /nfs/dbraw/zinc/63/72/28/558637228.db2.gz WAVPCOUCKCIAJU-KRWDZBQOSA-N 1 0 412.494 1.072 50 0 HDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000014254501 558650938 /nfs/dbraw/zinc/65/09/38/558650938.db2.gz HJPOOGATRURWSB-GOSISDBHSA-N 1 0 409.552 1.558 50 0 HDAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+]([C@H](C)COC)CC2 ZINC000014541278 558660130 /nfs/dbraw/zinc/66/01/30/558660130.db2.gz JZQXAHDQGQIJTG-GOSISDBHSA-N 1 0 418.538 1.794 50 0 HDAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+]([C@H](C)COC)CC2 ZINC000014747341 558669579 /nfs/dbraw/zinc/66/95/79/558669579.db2.gz NVOHJUZLNGHJKA-QGZVFWFLSA-N 1 0 404.511 1.752 50 0 HDAARO Cc1ccc(N2C(=O)N(CC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C(=O)[C@H]2C)cc1 ZINC000028016088 558689605 /nfs/dbraw/zinc/68/96/05/558689605.db2.gz AWBDIAQDNFQWSG-MJGOQNOKSA-N 1 0 416.522 1.625 50 0 HDAARO C[NH+]1CCN(c2nc(-c3cccs3)ccc2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000014994226 558695464 /nfs/dbraw/zinc/69/54/64/558695464.db2.gz YJQZAIDJZLWPPQ-AWEZNQCLSA-N 1 0 420.560 1.479 50 0 HDAARO CN(C(=O)CC[C@H]1CCCN(C(=O)CN2CCCCC2=O)C1)C1CC[NH+](C)CC1 ZINC000015067299 558710084 /nfs/dbraw/zinc/71/00/84/558710084.db2.gz DRYMYFLRBMIFDA-GOSISDBHSA-N 1 0 406.571 1.570 50 0 HDAARO CC[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1OC)[N@@H+]1CCc2ccccc2C1 ZINC000029911388 558723843 /nfs/dbraw/zinc/72/38/43/558723843.db2.gz MIOYDWNRTMWYHW-QGZVFWFLSA-N 1 0 417.531 1.909 50 0 HDAARO CC1CC[NH+](CCCNC(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)CC1 ZINC000004562797 558732830 /nfs/dbraw/zinc/73/28/30/558732830.db2.gz VASLWYWMVUMXJT-UHFFFAOYSA-N 1 0 413.522 1.141 50 0 HDAARO COC(=O)C1=C(N)Oc2cc(C)n(CC[NH+](C)C)c(=O)c2[C@@H]1c1cccc(OC)c1 ZINC000004570645 558742789 /nfs/dbraw/zinc/74/27/89/558742789.db2.gz SPEJXDZJJXWQLV-KRWDZBQOSA-N 1 0 413.474 1.595 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016022162 558767820 /nfs/dbraw/zinc/76/78/20/558767820.db2.gz ZIKFKRQUMPHCAR-QOIOWGMHSA-N 1 0 403.504 1.197 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016022117 558767826 /nfs/dbraw/zinc/76/78/26/558767826.db2.gz HNFXQMYEYFSSGC-YWNPBTLJSA-N 1 0 421.453 1.002 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@@]21c2cccc(CC)c2NC1=O ZINC000016024617 558768658 /nfs/dbraw/zinc/76/86/58/558768658.db2.gz VVUTVSJEPAOIEU-DYXJYMTDSA-N 1 0 412.490 1.035 50 0 HDAARO O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000036593856 558800113 /nfs/dbraw/zinc/80/01/13/558800113.db2.gz HAILDVPYZTWKRM-HXUWFJFHSA-N 1 0 406.486 1.908 50 0 HDAARO COc1ccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)cc1 ZINC000038488310 558811586 /nfs/dbraw/zinc/81/15/86/558811586.db2.gz RCPCRJOWJYAPGU-UHFFFAOYSA-N 1 0 407.496 1.021 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@H]2CC(=O)N(Cc3cccs3)C2=O)CC1 ZINC000018277082 558835340 /nfs/dbraw/zinc/83/53/40/558835340.db2.gz ASOIDEQDJQHLPF-INIZCTEOSA-N 1 0 404.536 1.181 50 0 HDAARO CS(=O)(=O)Nc1cc(C(=O)NCc2cccc(F)c2)ccc1N1CC[NH2+]CC1 ZINC000033034429 558858473 /nfs/dbraw/zinc/85/84/73/558858473.db2.gz DXONYKKRKVTOLE-UHFFFAOYSA-N 1 0 406.483 1.537 50 0 HDAARO COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(CN(C)Cc2nccs2)c1 ZINC000055099749 558872387 /nfs/dbraw/zinc/87/23/87/558872387.db2.gz XLBSXDNKCINBAF-SFHVURJKSA-N 1 0 421.563 1.980 50 0 HDAARO O=C(NCc1nc[nH]n1)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071750630 558908869 /nfs/dbraw/zinc/90/88/69/558908869.db2.gz ZBFRWADOPFGMBS-HNNXBMFYSA-N 1 0 409.494 1.943 50 0 HDAARO COc1ccc(OC)c(S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c1 ZINC000058174293 558909045 /nfs/dbraw/zinc/90/90/45/558909045.db2.gz XCZGMWLGDOKDDS-UHFFFAOYSA-N 1 0 402.513 1.598 50 0 HDAARO COc1nccnc1N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071759982 558909994 /nfs/dbraw/zinc/90/99/94/558909994.db2.gz MKWSLPMRNJTZST-SFHVURJKSA-N 1 0 410.522 1.877 50 0 HDAARO CN(C)c1nccnc1N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071774478 558911537 /nfs/dbraw/zinc/91/15/37/558911537.db2.gz IYCLAMPOCTYOCC-KRWDZBQOSA-N 1 0 402.543 1.082 50 0 HDAARO Cc1nc(S(=O)(=O)NCC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cn1C ZINC000058325612 558919815 /nfs/dbraw/zinc/91/98/15/558919815.db2.gz PLMNJIVSJCNTOF-UHFFFAOYSA-N 1 0 419.551 1.050 50 0 HDAARO Cc1nc2ccccc2c(=O)n1Cc1noc(C(=O)NCC[NH+]2CCCCCC2)n1 ZINC000033255823 558923538 /nfs/dbraw/zinc/92/35/38/558923538.db2.gz XOBUKUTVFYGSRB-UHFFFAOYSA-N 1 0 410.478 1.742 50 0 HDAARO CCc1[nH]nc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C(=O)OC ZINC000033256047 558923686 /nfs/dbraw/zinc/92/36/86/558923686.db2.gz MZNOFGYPBSAOPE-UHFFFAOYSA-N 1 0 406.508 1.702 50 0 HDAARO O=C(Cn1c(=O)onc1-c1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000060107162 558941018 /nfs/dbraw/zinc/94/10/18/558941018.db2.gz FYFGXXCHJRITCQ-UHFFFAOYSA-N 1 0 400.479 1.655 50 0 HDAARO C[NH+]1CCN(c2ccc(NC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000065363422 558974300 /nfs/dbraw/zinc/97/43/00/558974300.db2.gz YZGIKDYOJCKSIT-UHFFFAOYSA-N 1 0 402.520 1.843 50 0 HDAARO Cc1nc(CN2CCC3(CN(CCN4CC[NH+](C(C)C)CC4)C(=O)O3)CC2)co1 ZINC000072410035 558977410 /nfs/dbraw/zinc/97/74/10/558977410.db2.gz LRAKIQURKCKKHW-UHFFFAOYSA-N 1 0 405.543 1.796 50 0 HDAARO CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000072436942 558980363 /nfs/dbraw/zinc/98/03/63/558980363.db2.gz ONPIGRLESFTCJX-LJQANCHMSA-N 1 0 408.568 1.069 50 0 HDAARO Cc1nc(C)c(C(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)s1 ZINC000067603839 558988256 /nfs/dbraw/zinc/98/82/56/558988256.db2.gz LGRCUVCUEJRJFA-UHFFFAOYSA-N 1 0 402.524 1.657 50 0 HDAARO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cccnc2)CC3)C1 ZINC000077374957 559002426 /nfs/dbraw/zinc/00/24/26/559002426.db2.gz ZBZKPMXZTGSRMI-LJQANCHMSA-N 1 0 414.531 1.605 50 0 HDAARO CC(C)[NH+]1CCN(CCCN2CC3(CCN(c4ccnc(N)n4)CC3)OC2=O)CC1 ZINC000077428513 559005018 /nfs/dbraw/zinc/00/50/18/559005018.db2.gz FSIHISYSZFMSNO-UHFFFAOYSA-N 1 0 417.558 1.266 50 0 HDAARO Cc1cn2cc(CNC(=O)c3ccc(CN4CCCC[C@H]4C[NH3+])[nH]c3=O)nc2s1 ZINC000077505360 559007748 /nfs/dbraw/zinc/00/77/48/559007748.db2.gz SZQNAVJFNVCJDW-INIZCTEOSA-N 1 0 414.535 1.636 50 0 HDAARO O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[N@H+]2CCCCC[C@H]2CO)[nH]c1=O ZINC000077541345 559008962 /nfs/dbraw/zinc/00/89/62/559008962.db2.gz PZCMPCSJKNUYGC-KRWDZBQOSA-N 1 0 413.474 1.771 50 0 HDAARO C[C@H]([NH3+])C(=O)N1CCc2ccc(S(=O)(=O)NCCOc3ccccc3)cc2C1 ZINC000077566319 559009347 /nfs/dbraw/zinc/00/93/47/559009347.db2.gz CEGGWADBCSTKJE-HNNXBMFYSA-N 1 0 403.504 1.276 50 0 HDAARO CC(C)N(C)C(=O)CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082092821 559037199 /nfs/dbraw/zinc/03/71/99/559037199.db2.gz AHXDAGQLMQBUAY-LJQANCHMSA-N 1 0 415.582 1.741 50 0 HDAARO CN(C)C(=O)CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082157634 559041563 /nfs/dbraw/zinc/04/15/63/559041563.db2.gz ZAZBQUHQQUMJMB-HXUWFJFHSA-N 1 0 400.567 1.610 50 0 HDAARO O=C(NCc1nnn[n-]1)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091755868 559073644 /nfs/dbraw/zinc/07/36/44/559073644.db2.gz WMUKPSGTVBXYOG-GOSISDBHSA-N 1 0 409.538 1.160 50 0 HDAARO O=C(C[C@@H]1COCC[NH2+]1)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000095368321 559080167 /nfs/dbraw/zinc/08/01/67/559080167.db2.gz MCKSORTYGKSUKV-LJQANCHMSA-N 1 0 400.523 1.234 50 0 HDAARO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCN(C)CC3)C2)c2ccc(F)cc2n1 ZINC000095386722 559080651 /nfs/dbraw/zinc/08/06/51/559080651.db2.gz RYUDQNKADYYXOC-IAGOWNOFSA-N 1 0 400.498 1.610 50 0 HDAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)Cc1c[nH]c(=O)[nH]c1=O ZINC000095497055 559081556 /nfs/dbraw/zinc/08/15/56/559081556.db2.gz FLEXGTLVWPKJAG-OAHLLOKOSA-N 1 0 402.470 1.158 50 0 HDAARO COc1cc(C[N@H+](C)Cc2cccnc2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000095502372 559082623 /nfs/dbraw/zinc/08/26/23/559082623.db2.gz JXFJHRJUIKDGEF-HXUWFJFHSA-N 1 0 401.507 1.794 50 0 HDAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@H]1CCCC[N@@H+]1C)CC2 ZINC000095512546 559084233 /nfs/dbraw/zinc/08/42/33/559084233.db2.gz MRKUPQZYVZDUFN-MRXNPFEDSA-N 1 0 403.527 1.133 50 0 HDAARO CC[NH+]1CCN(C[C@H](O)COc2cccc(CN(C)Cc3noc(C)n3)c2)CC1 ZINC000095512301 559084319 /nfs/dbraw/zinc/08/43/19/559084319.db2.gz MWUPQHUXRBVKFX-IBGZPJMESA-N 1 0 403.527 1.387 50 0 HDAARO COc1cccc(CN2CC3(CC2=O)CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC3)c1 ZINC000095524157 559085824 /nfs/dbraw/zinc/08/58/24/559085824.db2.gz FMUADUWERPMIAV-LJQANCHMSA-N 1 0 401.507 1.415 50 0 HDAARO CN(C(=O)CC[C@H]1CCCN(C(=O)CCc2ccnn2C)C1)C1CC[NH+](C)CC1 ZINC000095526868 559086143 /nfs/dbraw/zinc/08/61/43/559086143.db2.gz JZDFSVSZDPEPRP-GOSISDBHSA-N 1 0 403.571 1.924 50 0 HDAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[N@H+](C)C1CCCC1)CC2 ZINC000095529028 559086447 /nfs/dbraw/zinc/08/64/47/559086447.db2.gz YVSOALBFODXTOT-UHFFFAOYSA-N 1 0 403.527 1.133 50 0 HDAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccn3nnnc3c2)CC1 ZINC000096166254 559100939 /nfs/dbraw/zinc/10/09/39/559100939.db2.gz DANZXFYZSOCGAP-GOSISDBHSA-N 1 0 402.499 1.104 50 0 HDAARO COC(=O)CCNC(=O)C1CC[NH+](C2CCN(Cc3cccc(C)n3)CC2)CC1 ZINC000096402901 559110269 /nfs/dbraw/zinc/11/02/69/559110269.db2.gz LAEODZMCEBNWEJ-UHFFFAOYSA-N 1 0 402.539 1.746 50 0 HDAARO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000011595334 559112833 /nfs/dbraw/zinc/11/28/33/559112833.db2.gz RXHXFRINGBLIOS-UHFFFAOYSA-N 1 0 414.572 1.927 50 0 HDAARO Cc1c(C[NH+]2CCC3(CCN(C(=O)Cc4cnc[nH]4)C[C@H]3CO)CC2)cnn1C ZINC000097495074 559118920 /nfs/dbraw/zinc/11/89/20/559118920.db2.gz FHYHITNZOHQTQC-SFHVURJKSA-N 1 0 400.527 1.117 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000100088886 559129690 /nfs/dbraw/zinc/12/96/90/559129690.db2.gz UCQRUUKDYOFXLL-KRWDZBQOSA-N 1 0 402.470 1.263 50 0 HDAARO CC[NH+](CC)CCO[C@H]1CCN(CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000072309462 559162463 /nfs/dbraw/zinc/16/24/63/559162463.db2.gz MIARQCUZQOEHSK-INIZCTEOSA-N 1 0 408.568 1.635 50 0 HDAARO CCOC(=O)N1CCN(c2c(=O)c(=O)c2N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000005068814 559240482 /nfs/dbraw/zinc/24/04/82/559240482.db2.gz AHKNNGYGTCIBNN-UHFFFAOYSA-N 1 0 404.511 1.016 50 0 aggregator HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000005149108 559253170 /nfs/dbraw/zinc/25/31/70/559253170.db2.gz WBTQCHLHWMXQJH-CABCVRRESA-N 1 0 404.540 1.276 50 0 HDAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccccc1 ZINC000011998158 559270068 /nfs/dbraw/zinc/27/00/68/559270068.db2.gz CIMJCOCBJIQNAX-SFHVURJKSA-N 1 0 401.488 1.786 50 0 HDAARO CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2NCC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000101445663 560795102 /nfs/dbraw/zinc/79/51/02/560795102.db2.gz KTHHCXHXSBKHKA-MRXNPFEDSA-N 1 0 406.527 1.992 50 0 HDAARO CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2NCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000101535757 560797057 /nfs/dbraw/zinc/79/70/57/560797057.db2.gz GMAPOBWEEUQDKA-OAHLLOKOSA-N 1 0 406.527 1.849 50 0 HDAARO CC(C)N1C(=O)C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1=O ZINC000102217109 560808955 /nfs/dbraw/zinc/80/89/55/560808955.db2.gz ZUAMUCMSBCOTQX-SUMWQHHRSA-N 1 0 400.479 1.878 50 0 HDAARO C[NH+](C)C[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)[C@H](O)c1ccccc1 ZINC000048080999 568432027 /nfs/dbraw/zinc/43/20/27/568432027.db2.gz NDGSBEUPJQPSIZ-WIYYLYMNSA-N 1 0 413.522 1.951 50 0 HDAARO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048326211 568438996 /nfs/dbraw/zinc/43/89/96/568438996.db2.gz XXWGNXDBDUBWFW-HXUWFJFHSA-N 1 0 416.501 1.475 50 0 HDAARO O=C(CN1C(=O)COc2ccccc21)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020688254 568640386 /nfs/dbraw/zinc/64/03/86/568640386.db2.gz XIFFDSOQAQBCTM-UHFFFAOYSA-N 1 0 408.502 1.346 50 0 HDAARO COC(=O)c1sccc1S(=O)(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000095949328 568665886 /nfs/dbraw/zinc/66/58/86/568665886.db2.gz ZDKLVJXPPZNWNI-UHFFFAOYSA-N 1 0 404.510 1.088 50 0 HDAARO Cc1cc2c(cc1S(=O)(=O)N1CCC(CC[NH+]3CCOCC3)CC1)OCC(=O)N2 ZINC000021108484 568667755 /nfs/dbraw/zinc/66/77/55/568667755.db2.gz LJIRDYZZJLRIHD-UHFFFAOYSA-N 1 0 423.535 1.449 50 0 HDAARO Cc1cc(Cl)ccc1NC(=O)C(=O)Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000096006839 568683146 /nfs/dbraw/zinc/68/31/46/568683146.db2.gz HTVYTEQDDYNPPY-INIZCTEOSA-N 1 0 405.886 1.879 50 0 HDAARO C[C@H]1[C@@H](NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCC[N@@H+]1C ZINC000096010241 568683629 /nfs/dbraw/zinc/68/36/29/568683629.db2.gz NFXLZIZQVZTWTK-WFASDCNBSA-N 1 0 418.357 1.716 50 0 HDAARO COc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccccc2)c1 ZINC000021534246 568711555 /nfs/dbraw/zinc/71/15/55/568711555.db2.gz TZRXIXKAFMSIJW-UHFFFAOYSA-N 1 0 417.531 1.708 50 0 HDAARO CCC[NH+](CCC)CCNC(=O)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1 ZINC000021927185 568761139 /nfs/dbraw/zinc/76/11/39/568761139.db2.gz OYSCHYCACJFGEY-HNNXBMFYSA-N 1 0 408.572 1.872 50 0 HDAARO O=C([C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000021940484 568763130 /nfs/dbraw/zinc/76/31/30/568763130.db2.gz XWJRWVGASSLKAM-LJQANCHMSA-N 1 0 419.547 1.843 50 0 HDAARO COC(=O)c1ccc(NC(=O)C(=O)NCC2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000225575652 568774518 /nfs/dbraw/zinc/77/45/18/568774518.db2.gz NDFLZEYAMXGXBY-QGZVFWFLSA-N 1 0 405.520 1.745 50 0 HDAARO Cc1noc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 ZINC000299755979 568872710 /nfs/dbraw/zinc/87/27/10/568872710.db2.gz GTSXXFGKIDOVSD-SFHVURJKSA-N 1 0 404.442 1.788 50 0 HDAARO CN(C)c1nccnc1NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299756603 568872975 /nfs/dbraw/zinc/87/29/75/568872975.db2.gz HXHORAZTGJPGJQ-GOSISDBHSA-N 1 0 402.543 1.304 50 0 HDAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccc(CO)cc1 ZINC000299783680 568875077 /nfs/dbraw/zinc/87/50/77/568875077.db2.gz XKWURRJQGBSNQN-OAQYLSRUSA-N 1 0 415.534 1.258 50 0 HDAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccc(F)cc1 ZINC000299786526 568875576 /nfs/dbraw/zinc/87/55/76/568875576.db2.gz LIKHSARBWNLDOH-HXUWFJFHSA-N 1 0 403.498 1.905 50 0 HDAARO O=C(NC[C@@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1)c1cc(F)ccc1F ZINC000299786278 568875640 /nfs/dbraw/zinc/87/56/40/568875640.db2.gz SGNFTEUEDFFQRM-QGZVFWFLSA-N 1 0 407.461 1.939 50 0 HDAARO COc1ncccc1C(=O)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299797742 568876523 /nfs/dbraw/zinc/87/65/23/568876523.db2.gz QFTKMZYXTUEQJP-GOSISDBHSA-N 1 0 416.522 1.169 50 0 HDAARO CN(C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000058157685 568893671 /nfs/dbraw/zinc/89/36/71/568893671.db2.gz SULFHRSKPRXLPN-SFHVURJKSA-N 1 0 402.520 1.873 50 0 HDAARO O=C(CN(C[C@H]1CCCO1)C(=O)c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000015864087 568942086 /nfs/dbraw/zinc/94/20/86/568942086.db2.gz VYTXBONNGODKJA-MRXNPFEDSA-N 1 0 410.312 1.502 50 0 HDAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000084535897 568950521 /nfs/dbraw/zinc/95/05/21/568950521.db2.gz VYFFQAABBMFCSM-MRXNPFEDSA-N 1 0 405.458 1.424 50 0 HDAARO COc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000670463498 568956748 /nfs/dbraw/zinc/95/67/48/568956748.db2.gz UOODLGSIKKMXLR-MRXNPFEDSA-N 1 0 411.568 1.993 50 0 HDAARO CC[NH+](CC)CCNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000004272262 568957294 /nfs/dbraw/zinc/95/72/94/568957294.db2.gz QKILJVDSZHKYCM-UHFFFAOYSA-N 1 0 414.506 1.141 50 0 HDAARO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1cn(-c2ccccc2)nn1 ZINC000670467201 568973018 /nfs/dbraw/zinc/97/30/18/568973018.db2.gz LHAOJERQCWLALQ-IGSLEHJCSA-N 1 0 414.513 1.565 50 0 HDAARO O=C(NCCC[NH+]1CCCC1)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1 ZINC000015777488 569001155 /nfs/dbraw/zinc/00/11/55/569001155.db2.gz NXQIZQGIRFJIFT-UHFFFAOYSA-N 1 0 420.583 1.874 50 0 HDAARO O=C(NCC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000575415687 569025631 /nfs/dbraw/zinc/02/56/31/569025631.db2.gz ORSLVGYINIPCTE-LJQANCHMSA-N 1 0 414.506 1.369 50 0 HDAARO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000229500267 569040539 /nfs/dbraw/zinc/04/05/39/569040539.db2.gz AEPMRHYULFQQRU-NQIIRXRSSA-N 1 0 400.523 1.688 50 0 HDAARO C[NH+]1CCN(Cc2ccc(O)c(NC(=O)CN3C(=O)COc4ccccc43)c2)CC1 ZINC000089382718 569058830 /nfs/dbraw/zinc/05/88/30/569058830.db2.gz OPXKXDGHMXFESU-UHFFFAOYSA-N 1 0 410.474 1.504 50 0 HDAARO Cc1noc(C)c1CN1CCc2c(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)csc2C1 ZINC000426544386 569073396 /nfs/dbraw/zinc/07/33/96/569073396.db2.gz MWBIGBQKFCUMTL-ROUUACIJSA-N 1 0 404.536 1.658 50 0 HDAARO O=C(C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O)N1CCOCC1 ZINC000426656976 569073710 /nfs/dbraw/zinc/07/37/10/569073710.db2.gz PYSHAEZWNFEYPC-OAQYLSRUSA-N 1 0 407.461 1.638 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@H]1c1ccccc1F ZINC000035991082 569074565 /nfs/dbraw/zinc/07/45/65/569074565.db2.gz CCJDEUCUULABNK-IBGZPJMESA-N 1 0 404.486 1.977 50 0 HDAARO COc1ccc(C[N@H+](CCN2CCOCC2)C[C@H](O)COCC(C)C)cc1OC ZINC000036095575 569089801 /nfs/dbraw/zinc/08/98/01/569089801.db2.gz STBMEXQVWDEWHY-FQEVSTJZSA-N 1 0 410.555 1.872 50 0 HDAARO CCNc1nc(N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc(C)[nH+]1 ZINC000064800697 569097362 /nfs/dbraw/zinc/09/73/62/569097362.db2.gz APKZJKHDOZKXTM-UHFFFAOYSA-N 1 0 421.523 1.745 50 0 HDAARO CCn1c2c(C(=O)NCCOC)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064835936 569104582 /nfs/dbraw/zinc/10/45/82/569104582.db2.gz SIZYCIQCCLXKGV-UHFFFAOYSA-N 1 0 409.490 1.450 50 0 HDAARO CN(C)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)NCC[NH+]1CCCCCC1 ZINC000064888991 569115778 /nfs/dbraw/zinc/11/57/78/569115778.db2.gz JMSNGNWTEARVGP-UHFFFAOYSA-N 1 0 421.567 1.669 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000006798641 569126595 /nfs/dbraw/zinc/12/65/95/569126595.db2.gz AFPGVYRIAKOOLS-OAHLLOKOSA-N 1 0 406.556 1.482 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nnc(Cc2cc(OC)c(OC)c(OC)c2)o1 ZINC000006821587 569140690 /nfs/dbraw/zinc/14/06/90/569140690.db2.gz CSTQOAMSTZYDRY-AWEZNQCLSA-N 1 0 404.467 1.900 50 0 HDAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)C1 ZINC000006942876 569186994 /nfs/dbraw/zinc/18/69/94/569186994.db2.gz GAKHQIWEWWRFSS-CEXWTWQISA-N 1 0 414.616 1.523 50 0 HDAARO CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)CC)C2)CC1 ZINC000065195389 569194131 /nfs/dbraw/zinc/19/41/31/569194131.db2.gz MUDIDUMIWMOXFR-SFHVURJKSA-N 1 0 412.534 1.893 50 0 HDAARO COc1ccc(S(=O)(=O)N2CCc3c2cccc3C(=O)NCC[NH+](C)C)cc1 ZINC000065210204 569196128 /nfs/dbraw/zinc/19/61/28/569196128.db2.gz UVQISLXFTKVDMW-UHFFFAOYSA-N 1 0 403.504 1.738 50 0 HDAARO C[N@@H+]1CCCN(C(=O)[C@H]2CN(S(=O)(=O)c3cccnc3)CC23CCCCC3)CC1 ZINC000065259797 569210788 /nfs/dbraw/zinc/21/07/88/569210788.db2.gz VSFVESVWHUIYDQ-LJQANCHMSA-N 1 0 420.579 1.817 50 0 biogenic HDAARO CC[NH+]1CCN(CCNC(=O)c2nc3csc(C)c3c(N3CCCC3)n2)CC1 ZINC000065283233 569216537 /nfs/dbraw/zinc/21/65/37/569216537.db2.gz NSALXWPGLCTGID-UHFFFAOYSA-N 1 0 402.568 1.967 50 0 HDAARO Cc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2CC(=O)NCC[NH+]1CCCCCC1 ZINC000065306822 569220790 /nfs/dbraw/zinc/22/07/90/569220790.db2.gz NTRXONQSUZUVEB-FQEVSTJZSA-N 1 0 412.534 1.938 50 0 HDAARO CC(C)[NH+]1CCN(C(=O)CN2c3ccc(F)cc3C(=O)N3CCC[C@H]3C2=O)CC1 ZINC000065306850 569220829 /nfs/dbraw/zinc/22/08/29/569220829.db2.gz VUZKEJZLLMVOAW-SFHVURJKSA-N 1 0 402.470 1.330 50 0 HDAARO C[NH+]1CCN(c2ccc(NC(=O)CCNC(=O)c3ccc(F)cc3F)cn2)CC1 ZINC000014521918 569260435 /nfs/dbraw/zinc/26/04/35/569260435.db2.gz DSMZZRJCEIWAAK-UHFFFAOYSA-N 1 0 403.433 1.870 50 0 HDAARO O=C(Cn1c(=O)cnc2ccccc21)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000089834873 569266716 /nfs/dbraw/zinc/26/67/16/569266716.db2.gz ZGLWIVNOBGHCMG-OALUTQOASA-N 1 0 406.486 1.396 50 0 HDAARO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000079066742 569426619 /nfs/dbraw/zinc/42/66/19/569426619.db2.gz LJVBCERZVHTEPW-IRLDBZIGSA-N 1 0 413.518 1.827 50 0 HDAARO COC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067287760 571065726 /nfs/dbraw/zinc/06/57/26/571065726.db2.gz QTWHPKCUSCGRHL-IBGZPJMESA-N 1 0 418.494 1.122 50 0 HDAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)CCC(=O)N2CCOCC2)CC1 ZINC000040107972 571167795 /nfs/dbraw/zinc/16/77/95/571167795.db2.gz IUFXOOPPVHZRAL-UHFFFAOYSA-N 1 0 402.539 1.079 50 0 HDAARO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](CCC(=O)N4CCOCC4)CC3)n2)cc1 ZINC000040120554 571176654 /nfs/dbraw/zinc/17/66/54/571176654.db2.gz HFXBVPOFXTYEJE-SFHVURJKSA-N 1 0 413.522 1.973 50 0 HDAARO CC(=O)Nc1ncc(S(=O)(=O)NCC2CC[NH+](C3CCSCC3)CC2)s1 ZINC000244998693 571211951 /nfs/dbraw/zinc/21/19/51/571211951.db2.gz KPRZZLPHNAGAQA-UHFFFAOYSA-N 1 0 418.610 1.987 50 0 HDAARO CC[NH+](CC)CCCNC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@H]13)O2 ZINC000009134454 571229292 /nfs/dbraw/zinc/22/92/92/571229292.db2.gz XGTPJIBZUWTHLC-QTDGGUCWSA-N 1 0 413.518 1.830 50 0 HDAARO Cn1c2nc3n(c2c(=O)n(CC[NH+]2CCCCC2)c1=O)CCCN3Cc1ccccc1 ZINC000009156884 571231936 /nfs/dbraw/zinc/23/19/36/571231936.db2.gz QYPLKXRIWJDZOT-UHFFFAOYSA-N 1 0 422.533 1.793 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncn2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000009727368 571282523 /nfs/dbraw/zinc/28/25/23/571282523.db2.gz UPGGNSMMMWOYFM-MRXNPFEDSA-N 1 0 410.478 1.167 50 0 HDAARO CC(C)[NH+]1CCN(C(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)CC1 ZINC000071772364 571300127 /nfs/dbraw/zinc/30/01/27/571300127.db2.gz SSFCHEKIUCJUKY-UHFFFAOYSA-N 1 0 410.478 1.616 50 0 HDAARO O=C(NCC[NH+]1CCCC1)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000006936618 132321294 /nfs/dbraw/zinc/32/12/94/132321294.db2.gz PRNOMGJTXKMIOF-UHFFFAOYSA-N 1 0 411.554 1.981 50 0 HDAARO CCCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000045945000 520487413 /nfs/dbraw/zinc/48/74/13/520487413.db2.gz OZHKOXZLZXPOCC-UHFFFAOYSA-N 1 0 417.959 1.961 50 0 HDAARO COC(=O)c1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1 ZINC000020598706 522016279 /nfs/dbraw/zinc/01/62/79/522016279.db2.gz AXBNJCWYCSCNKG-UHFFFAOYSA-N 1 0 423.473 1.689 50 0 HDAARO COCCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000045944773 523240134 /nfs/dbraw/zinc/24/01/34/523240134.db2.gz FFEWAKPJLPMTIL-UHFFFAOYSA-N 1 0 411.568 1.461 50 0 HDAARO COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N1CC[NH2+]CC1)CC(C)C ZINC000045974688 524247933 /nfs/dbraw/zinc/24/79/33/524247933.db2.gz QZCGYRXRQSWDLU-UHFFFAOYSA-N 1 0 403.932 1.427 50 0 HDAARO COc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC(C)C)cc1OC ZINC000045944911 525012904 /nfs/dbraw/zinc/01/29/04/525012904.db2.gz HQVSRTUZYTXRON-UHFFFAOYSA-N 1 0 413.540 1.172 50 0 HDAARO Cc1ccc2c(c1)C(=O)N(CCCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C2=O ZINC000032269584 526141290 /nfs/dbraw/zinc/14/12/90/526141290.db2.gz LGBMLXOOYKFEGB-KRWDZBQOSA-N 1 0 401.507 1.844 50 0 HDAARO O=C(CCN(CCN1CCCCC1)S(=O)(=O)c1cccs1)N1CC[NH2+]CC1 ZINC000045945313 526473336 /nfs/dbraw/zinc/47/33/36/526473336.db2.gz DSEBGHVWNULZCA-UHFFFAOYSA-N 1 0 414.597 1.047 50 0 HDAARO CC(C)CNC(=O)c1coc(CN2CCN(C[C@@H](O)C[NH+]3CCCCC3)CC2)n1 ZINC000034677039 557364132 /nfs/dbraw/zinc/36/41/32/557364132.db2.gz XLZIKGVDYIPUHB-SFHVURJKSA-N 1 0 407.559 1.025 50 0 HDAARO O=C(COc1ccccc1)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000034912233 557486839 /nfs/dbraw/zinc/48/68/39/557486839.db2.gz CIFFAVKDDXEWGV-UHFFFAOYSA-N 1 0 415.534 1.627 50 0 HDAARO COc1cccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)C2=O)c1 ZINC000004177949 557525096 /nfs/dbraw/zinc/52/50/96/557525096.db2.gz VTQWDUXFSVNYKY-GOSISDBHSA-N 1 0 414.506 1.133 50 0 HDAARO CC[NH+](CC)CCN1c2ccccc2[C@@]2(SC(NC(C)=O)=NN2C(C)=O)C1=O ZINC000004721744 557586462 /nfs/dbraw/zinc/58/64/62/557586462.db2.gz UIFCWBVUFXVVAH-LJQANCHMSA-N 1 0 403.508 1.530 50 0 HDAARO C[NH+](C)CCCNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000002657006 557739076 /nfs/dbraw/zinc/73/90/76/557739076.db2.gz UAFLQNLWJYGMBO-UHFFFAOYSA-N 1 0 411.553 1.160 50 0 HDAARO CCOc1c(Br)cc(C[NH2+]CCNC(=O)c2nonc2N)cc1OC ZINC000008253341 557778066 /nfs/dbraw/zinc/77/80/66/557778066.db2.gz JASPXGCPDZFGLQ-UHFFFAOYSA-N 1 0 414.260 1.341 50 0 HDAARO O=C(Cc1ccc(Cl)cc1)NCCC(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008739116 557803442 /nfs/dbraw/zinc/80/34/42/557803442.db2.gz LSKPBPGZAYLGEW-UHFFFAOYSA-N 1 0 415.925 1.776 50 0 HDAARO CCOc1ccc(C(=O)NCCC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1 ZINC000008740753 557803676 /nfs/dbraw/zinc/80/36/76/557803676.db2.gz KLPNPHJWCRBHGE-UHFFFAOYSA-N 1 0 411.506 1.592 50 0 HDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccc(F)cc2)CC1 ZINC000022795857 557822837 /nfs/dbraw/zinc/82/28/37/557822837.db2.gz VUKLUPQYQGPWGA-NRFANRHFSA-N 1 0 412.509 1.589 50 0 HDAARO CCS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000010539141 558258728 /nfs/dbraw/zinc/25/87/28/558258728.db2.gz ILYYAEASSURNJC-UHFFFAOYSA-N 1 0 411.524 1.216 50 0 HDAARO CC(C)C[C@@H](NC(=O)C[NH+](C)C)c1nnc2n1CCN(C(=O)C1=CCCC1)CC2 ZINC000011787834 558276627 /nfs/dbraw/zinc/27/66/27/558276627.db2.gz MUXPBLDGLVJKAX-QGZVFWFLSA-N 1 0 402.543 1.538 50 0 HDAARO CCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000011874240 558291979 /nfs/dbraw/zinc/29/19/79/558291979.db2.gz HFRNYAMVRKIDDL-LJQANCHMSA-N 1 0 406.571 1.572 50 0 HDAARO COc1cc(C[NH2+]CCc2c(C)n[nH]c2C)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000020362740 558358217 /nfs/dbraw/zinc/35/82/17/558358217.db2.gz PPBXFIRNLVXYQD-IBGZPJMESA-N 1 0 418.538 1.439 50 0 HDAARO Cc1nn(C)c(Cl)c1CN1CC[C@@H]([NH+]2CCN(c3ccccn3)CC2)[C@H](O)C1 ZINC000012711707 558453040 /nfs/dbraw/zinc/45/30/40/558453040.db2.gz VLUHHXKATHCLGC-QZTJIDSGSA-N 1 0 404.946 1.534 50 0 HDAARO COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000012713928 558454092 /nfs/dbraw/zinc/45/40/92/558454092.db2.gz OHPYIDFWUIFOPJ-OAQYLSRUSA-N 1 0 414.550 1.473 50 0 HDAARO COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000012713924 558454154 /nfs/dbraw/zinc/45/41/54/558454154.db2.gz OHPYIDFWUIFOPJ-NRFANRHFSA-N 1 0 414.550 1.473 50 0 HDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000022693976 558504822 /nfs/dbraw/zinc/50/48/22/558504822.db2.gz PWPYENQQDFBQFV-INIZCTEOSA-N 1 0 400.479 1.935 50 0 HDAARO CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C[C@@H](O)CN1CC[NH+](Cc3ccccc3)CC1)C2=O ZINC000022935450 558526341 /nfs/dbraw/zinc/52/63/41/558526341.db2.gz KJKAHKQPGIOZFJ-MZLICYQSSA-N 1 0 413.562 1.976 50 0 HDAARO COc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c(OC)c1 ZINC000023337529 558549798 /nfs/dbraw/zinc/54/97/98/558549798.db2.gz NVPMQVZINXDHOE-UHFFFAOYSA-N 1 0 422.489 1.679 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000013625307 558551045 /nfs/dbraw/zinc/55/10/45/558551045.db2.gz VRCLJQBGOBULPA-WIYYLYMNSA-N 1 0 420.513 1.991 50 0 HDAARO Cc1nc2ncnn2c(C)c1CCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023731748 558571698 /nfs/dbraw/zinc/57/16/98/558571698.db2.gz BUDKBYKFYSBNPQ-UHFFFAOYSA-N 1 0 400.527 1.825 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccncc1 ZINC000013732129 558587148 /nfs/dbraw/zinc/58/71/48/558587148.db2.gz XYQJBRKQMCIRPW-QGZVFWFLSA-N 1 0 409.490 1.551 50 0 HDAARO CC(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[NH+](C)C ZINC000026305156 558658771 /nfs/dbraw/zinc/65/87/71/558658771.db2.gz IMRNCHOQXIEOGF-INIZCTEOSA-N 1 0 400.520 1.428 50 0 HDAARO COc1ccc(CC[C@H](C)[N@H+](C)CCn2cc(C(=O)N3CCN(C)CC3)nn2)cc1 ZINC000014885136 558677441 /nfs/dbraw/zinc/67/74/41/558677441.db2.gz OIYZUPCLOFSKFR-SFHVURJKSA-N 1 0 414.554 1.627 50 0 HDAARO CC(C)C[C@H]([NH2+]Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12)C(N)=O ZINC000015074717 558715336 /nfs/dbraw/zinc/71/53/36/558715336.db2.gz ZHAKOSHNUYOWOJ-MJBXVCDLSA-N 1 0 407.540 1.635 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2ccccc2NC(=O)C2=CSCCO2)CC1 ZINC000022937733 558726127 /nfs/dbraw/zinc/72/61/27/558726127.db2.gz DRZGPACTOGJGMY-UHFFFAOYSA-N 1 0 404.536 1.597 50 0 HDAARO Cc1nc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc(N(C)C)[nH+]1 ZINC000033318379 558766406 /nfs/dbraw/zinc/76/64/06/558766406.db2.gz UCGLYOFMSRYCAZ-UHFFFAOYSA-N 1 0 419.507 1.133 50 0 HDAARO CCOC(=O)c1cnn(CC[N@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)c1N ZINC000072308289 558770175 /nfs/dbraw/zinc/77/01/75/558770175.db2.gz GBJDUCXDEYYOAW-UHFFFAOYSA-N 1 0 401.515 1.650 50 0 HDAARO Cc1cc(C)cc(C(=O)N(CCCN2CCCC2=O)CCC(=O)N2CC[NH2+]CC2)c1 ZINC000035421492 558791127 /nfs/dbraw/zinc/79/11/27/558791127.db2.gz SSELPDYRJYBSGL-UHFFFAOYSA-N 1 0 414.550 1.580 50 0 HDAARO CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCC[NH+]3CCCC3)C2)c1C ZINC000035482209 558792918 /nfs/dbraw/zinc/79/29/18/558792918.db2.gz VRLXTQWCDYYWHV-KRWDZBQOSA-N 1 0 418.538 1.872 50 0 HDAARO COc1cccc(C[N@H+](C)CCc2cnn(C)c2)c1OC[C@@H](O)CN1CCOCC1 ZINC000039478305 558821669 /nfs/dbraw/zinc/82/16/69/558821669.db2.gz QTFZPCJCPQNWGG-FQEVSTJZSA-N 1 0 418.538 1.175 50 0 HDAARO CC[NH+](CC)CCN(CCS(=O)(=O)N1CCNCC1)C(=O)c1cccc(C)c1 ZINC000046140820 558839694 /nfs/dbraw/zinc/83/96/94/558839694.db2.gz NYRLYTOBZXUAMF-UHFFFAOYSA-N 1 0 410.584 1.014 50 0 HDAARO O=C(CN1c2cc(F)ccc2C(=O)N2CCC[C@H]2C1=O)NCCC[NH+]1CCCCC1 ZINC000065307023 558866587 /nfs/dbraw/zinc/86/65/87/558866587.db2.gz HQMWVNPNQXKFPC-SFHVURJKSA-N 1 0 416.497 1.769 50 0 HDAARO CC(=O)NCC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055211741 558876195 /nfs/dbraw/zinc/87/61/95/558876195.db2.gz GAYKIBOTIYKBGK-SFHVURJKSA-N 1 0 412.456 1.955 50 0 HDAARO O=C(CN1C(=O)CSC1=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055576188 558883226 /nfs/dbraw/zinc/88/32/26/558883226.db2.gz OYJXUBFTBXOZOS-KRWDZBQOSA-N 1 0 402.520 1.495 50 0 HDAARO COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+]Cc1ccccc1 ZINC000058165231 558906675 /nfs/dbraw/zinc/90/66/75/558906675.db2.gz BIHSIYZFTZDLRU-UHFFFAOYSA-N 1 0 405.476 1.687 50 0 HDAARO Cc1ccc(-n2cnnn2)cc1NC(=O)NCc1ccc(N2CCC[N@@H+](C)CC2)nc1 ZINC000058168182 558907757 /nfs/dbraw/zinc/90/77/57/558907757.db2.gz OXMRVIRKBLJMJI-UHFFFAOYSA-N 1 0 421.509 1.829 50 0 HDAARO [NH2+]=C(NCc1ccccc1)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000058366338 558922156 /nfs/dbraw/zinc/92/21/56/558922156.db2.gz HDUFDTBVERBFDG-UHFFFAOYSA-N 1 0 402.520 1.663 50 0 HDAARO COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NC1CC[NH+](C)CC1 ZINC000065362061 558972821 /nfs/dbraw/zinc/97/28/21/558972821.db2.gz OCHGUFOQCKUHTD-UHFFFAOYSA-N 1 0 409.552 1.940 50 0 HDAARO O=C(Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)NCC[NH+]1CCCC1 ZINC000021944379 558978420 /nfs/dbraw/zinc/97/84/20/558978420.db2.gz BPEKBKXXXRHLPH-UHFFFAOYSA-N 1 0 406.486 1.424 50 0 HDAARO COc1cccc(CN2CCC[C@](O)(C[N@H+](C)Cc3cnccn3)C2=O)c1OC ZINC000067562162 558987299 /nfs/dbraw/zinc/98/72/99/558987299.db2.gz CARSYDQLVBJBSA-NRFANRHFSA-N 1 0 400.479 1.479 50 0 HDAARO CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)CC1 ZINC000067629877 558990200 /nfs/dbraw/zinc/99/02/00/558990200.db2.gz DIMBRWXMUVNUMD-UHFFFAOYSA-N 1 0 422.595 1.370 50 0 HDAARO CC[NH+]1CCN([C@H](CNC(=O)C(=O)NCc2ccc(C)cc2)c2cccnc2)CC1 ZINC000022457137 558995268 /nfs/dbraw/zinc/99/52/68/558995268.db2.gz BXQIRSIXQUKLFT-OAQYLSRUSA-N 1 0 409.534 1.501 50 0 HDAARO CC(C)c1cccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000097163878 558998364 /nfs/dbraw/zinc/99/83/64/558998364.db2.gz AUHMLMDJRGTZRL-QGZVFWFLSA-N 1 0 400.566 1.740 50 0 HDAARO CN(C)S(=O)(=O)N1CCC(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000077387043 559003397 /nfs/dbraw/zinc/00/33/97/559003397.db2.gz LNGUIYSGUZDROR-FQEVSTJZSA-N 1 0 422.595 1.676 50 0 HDAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)C(=O)c3ccccc3)CC2)OC1=O ZINC000077470611 559006497 /nfs/dbraw/zinc/00/64/97/559006497.db2.gz SLLDLDROWJONGE-UHFFFAOYSA-N 1 0 403.479 1.261 50 0 HDAARO Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCC[N@@H+](C)CC3)[C@@H]4C2=O)cc1C ZINC000077518312 559007957 /nfs/dbraw/zinc/00/79/57/559007957.db2.gz REVWQCQJVKMNKM-BLRYILKCSA-N 1 0 409.530 1.750 50 0 HDAARO O=S(=O)(c1cccc2nsnc21)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000096999255 559016860 /nfs/dbraw/zinc/01/68/60/559016860.db2.gz AJOUUNHAUSVAFM-UHFFFAOYSA-N 1 0 409.581 1.874 50 0 HDAARO CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1=O ZINC000082093062 559037294 /nfs/dbraw/zinc/03/72/94/559037294.db2.gz DUTBXZDQUMIYRR-OAQYLSRUSA-N 1 0 412.578 1.706 50 0 HDAARO CNC(=O)C(C)(C)NC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082115746 559039040 /nfs/dbraw/zinc/03/90/40/559039040.db2.gz ZNQORBVGPMAHTP-GOSISDBHSA-N 1 0 401.555 1.399 50 0 HDAARO CC(C)S(=O)(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082137311 559040278 /nfs/dbraw/zinc/04/02/78/559040278.db2.gz GRAYLYZEMCQWKF-SFHVURJKSA-N 1 0 408.568 1.612 50 0 HDAARO Cn1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082155688 559041367 /nfs/dbraw/zinc/04/13/67/559041367.db2.gz NIMRYHJCVYRDKF-KRWDZBQOSA-N 1 0 410.522 1.448 50 0 HDAARO COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)c1 ZINC000033318375 559055931 /nfs/dbraw/zinc/05/59/31/559055931.db2.gz VPUCFKISNAKWFE-UHFFFAOYSA-N 1 0 421.523 1.379 50 0 HDAARO CC(C)(NC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)C(N)=O ZINC000091462133 559071738 /nfs/dbraw/zinc/07/17/38/559071738.db2.gz ZZCPIQZYDMVLJW-IBGZPJMESA-N 1 0 412.578 1.710 50 0 HDAARO COc1cccc(CN2CC[C@@]3(O)CC[NH2+]C[C@H]3C2)c1OCCCn1ccnc1 ZINC000091724428 559073392 /nfs/dbraw/zinc/07/33/92/559073392.db2.gz JCQZTSJUECZPHW-UGKGYDQZSA-N 1 0 400.523 1.907 50 0 HDAARO CN(C)C(=O)N1CC[C@]2(O)CC[N@H+](Cc3cccc(N4CCOCC4)c3)C[C@@H]2C1 ZINC000095388063 559080718 /nfs/dbraw/zinc/08/07/18/559080718.db2.gz JYGRSLCRMQVXKG-DENIHFKCSA-N 1 0 402.539 1.464 50 0 HDAARO C[NH+](C)CC(=O)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000095507341 559083392 /nfs/dbraw/zinc/08/33/92/559083392.db2.gz ZARIDTQRBVTCRW-NRFANRHFSA-N 1 0 400.567 1.911 50 0 HDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000017803728 560728668 /nfs/dbraw/zinc/72/86/68/560728668.db2.gz FDDOTCNYQCCFHC-LJQANCHMSA-N 1 0 423.579 1.560 50 0 HDAARO CN1CCN([C@@H](CNc2c(=O)c(=O)c2NCc2ccccn2)c2ccccc2)CC1 ZINC000101696698 560798260 /nfs/dbraw/zinc/79/82/60/560798260.db2.gz BHQQSMVWLIWGGD-IBGZPJMESA-N 1 0 405.502 1.690 50 0 HDAARO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000051137084 560812147 /nfs/dbraw/zinc/81/21/47/560812147.db2.gz HVNBZTSBIIKJCL-UHFFFAOYSA-N 1 0 402.520 1.807 50 0 HDAARO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)cn2)CC1 ZINC000048248925 568433312 /nfs/dbraw/zinc/43/33/12/568433312.db2.gz ZGBLHDQPBSDOFA-JXFKEZNVSA-N 1 0 403.552 1.294 50 0 HDAARO COc1cccc(C[C@H](C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)n2nnnc2C)c1 ZINC000048299597 568437047 /nfs/dbraw/zinc/43/70/47/568437047.db2.gz JFUSYYOXRSEDNA-WOJBJXKFSA-N 1 0 416.526 1.247 50 0 HDAARO CCOCC[NH+]1CCN(c2cc(N3CC[N@@H+](CCOCC)[C@@H](C)C3)ncn2)C[C@@H]1C ZINC000221967184 568512788 /nfs/dbraw/zinc/51/27/88/568512788.db2.gz CGPBELXXEAEBJR-PMACEKPBSA-N 1 0 420.602 1.571 50 0 HDAARO CC[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000223243226 568542427 /nfs/dbraw/zinc/54/24/27/568542427.db2.gz BFTNKUBUTTYVDD-VQIMIIECSA-N 1 0 411.506 1.621 50 0 HDAARO C[NH+]1CCN(CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)CC1 ZINC000020209338 568594207 /nfs/dbraw/zinc/59/42/07/568594207.db2.gz CQMKDGATWIBNCK-UHFFFAOYSA-N 1 0 420.579 1.292 50 0 HDAARO CCOC(=O)C1CCC(O)(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC1 ZINC000225440599 568638112 /nfs/dbraw/zinc/63/81/12/568638112.db2.gz WMTBGAXYFSDVHR-UHFFFAOYSA-N 1 0 418.490 1.658 50 0 HDAARO COc1cc(C(=O)NC[C@H](c2cccn2C)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000021152595 568672666 /nfs/dbraw/zinc/67/26/66/568672666.db2.gz NPHXGCWHBQVBRJ-GOSISDBHSA-N 1 0 416.522 1.769 50 0 HDAARO CCCc1cc(=O)n2nc(N(C)CC(=O)NCCC[NH+]3CCCCC3)sc2n1 ZINC000021165518 568674740 /nfs/dbraw/zinc/67/47/40/568674740.db2.gz AKCOTPSTZWUSNG-UHFFFAOYSA-N 1 0 406.556 1.532 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000096231405 568707369 /nfs/dbraw/zinc/70/73/69/568707369.db2.gz FDYKSRFLVHUALH-MJGOQNOKSA-N 1 0 416.522 1.539 50 0 HDAARO C[C@H]1CCCN(c2nn3c(ncc(C(=O)NCC[NH+]4CCCCC4)c3=O)s2)C1 ZINC000021537629 568712723 /nfs/dbraw/zinc/71/27/23/568712723.db2.gz ZNDSRNVNWHTQGN-AWEZNQCLSA-N 1 0 404.540 1.603 50 0 HDAARO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC(=O)Nc2cccc(F)c2)CC1 ZINC000241231160 568731011 /nfs/dbraw/zinc/73/10/11/568731011.db2.gz KSPGBQFQWVGHAL-UHFFFAOYSA-N 1 0 409.487 1.547 50 0 HDAARO CC1=C(C(=O)NCCN2CCOCC2)C2(CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000021868332 568755853 /nfs/dbraw/zinc/75/58/53/568755853.db2.gz VAIQALWITCHJIO-UHFFFAOYSA-N 1 0 413.518 1.343 50 0 biogenic HDAARO CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000021868628 568756067 /nfs/dbraw/zinc/75/60/67/568756067.db2.gz VTHWDXHXUBGUNY-UHFFFAOYSA-N 1 0 403.523 1.718 50 0 biogenic HDAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(OC)c2OC)CC(=O)N3)CC1 ZINC000670416102 568767341 /nfs/dbraw/zinc/76/73/41/568767341.db2.gz KXFCAEYDDZCMEG-CQSZACIVSA-N 1 0 413.478 1.815 50 0 HDAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCN1CCOCC1)C2 ZINC000023353681 568825437 /nfs/dbraw/zinc/82/54/37/568825437.db2.gz CGVKVTSHBTUFQU-GOSISDBHSA-N 1 0 403.571 1.698 50 0 HDAARO C[C@H](C1CC1)[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 ZINC000031654072 568837357 /nfs/dbraw/zinc/83/73/57/568837357.db2.gz TUHSTPBPEUMTHD-OAHLLOKOSA-N 1 0 407.536 1.909 50 0 HDAARO Cc1cn2c3c(nc2n1CC[NH+](C)C)n(C)c(=O)n(C/C=C/c1ccccc1)c3=O ZINC000010233402 568843603 /nfs/dbraw/zinc/84/36/03/568843603.db2.gz BZVMMJZVSGTAKB-DHZHZOJOSA-N 1 0 406.490 1.733 50 0 HDAARO Cc1ccccc1[C@]1(CC(=O)N2CCN(C)[C@H](C)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299758747 568873234 /nfs/dbraw/zinc/87/32/34/568873234.db2.gz OYBPZDYXTUJALO-JPYJTQIMSA-N 1 0 414.550 1.106 50 0 HDAARO COc1ccc(C(=O)NC[C@H]2CN(C3CC[NH+](C4CCC4)CC3)C(=O)CO2)cc1 ZINC000299763012 568873286 /nfs/dbraw/zinc/87/32/86/568873286.db2.gz XZBOJKORQNGPOO-FQEVSTJZSA-N 1 0 401.507 1.669 50 0 HDAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1[nH]ncc1Cl ZINC000299778922 568875014 /nfs/dbraw/zinc/87/50/14/568875014.db2.gz PDYUYWDGAKYJKU-OAHLLOKOSA-N 1 0 409.918 1.142 50 0 HDAARO O=C(Cc1ccncc1)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299789994 568875848 /nfs/dbraw/zinc/87/58/48/568875848.db2.gz AFQUTORKNDNMAA-FQEVSTJZSA-N 1 0 400.523 1.090 50 0 HDAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCn2cccn2)CC1 ZINC000299793574 568876090 /nfs/dbraw/zinc/87/60/90/568876090.db2.gz HWJZUFFETJSZBX-FQEVSTJZSA-N 1 0 402.470 1.793 50 0 HDAARO O=C(NCC[NH+]1CCCC1)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004004231 568932871 /nfs/dbraw/zinc/93/28/71/568932871.db2.gz WVPJAFXNQKLHTA-UHFFFAOYSA-N 1 0 406.486 1.758 50 0 HDAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000012751415 568940774 /nfs/dbraw/zinc/94/07/74/568940774.db2.gz ODSPLMIXBARQIW-UHFFFAOYSA-N 1 0 414.531 1.786 50 0 HDAARO Cc1ccc(-n2nc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c(=O)n(C)c2=O)cc1 ZINC000015786452 569007574 /nfs/dbraw/zinc/00/75/74/569007574.db2.gz MIWLUXULZISPIS-UHFFFAOYSA-N 1 0 411.506 1.330 50 0 HDAARO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCCC3)C2)C1 ZINC000006266317 569036093 /nfs/dbraw/zinc/03/60/93/569036093.db2.gz AUHAVOPMYJBVFF-QRVBRYPASA-N 1 0 414.616 1.523 50 0 HDAARO C[N@@H+]1CCN(CCNC(=O)CCS(=O)(=O)C2CCCC2)[C@@H](c2ccccc2)C1 ZINC000229751098 569040651 /nfs/dbraw/zinc/04/06/51/569040651.db2.gz CWCZLKCCSSCBCH-HXUWFJFHSA-N 1 0 407.580 1.839 50 0 HDAARO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NC[C@H](C(C)C)[NH+](C)C)CC2)c1 ZINC000012979186 569042637 /nfs/dbraw/zinc/04/26/37/569042637.db2.gz DUVWUKFSTVCYHP-GOSISDBHSA-N 1 0 410.584 1.906 50 0 HDAARO C[NH+](C)CCNC(=S)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000006590802 569068724 /nfs/dbraw/zinc/06/87/24/569068724.db2.gz YRPVCXIKLLOESO-UHFFFAOYSA-N 1 0 406.961 1.209 50 0 HDAARO CN(C[C@@H](O)CN1CC[NH+](C)CC1)C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000089382668 569058781 /nfs/dbraw/zinc/05/87/81/569058781.db2.gz CNRODABAPHPXLP-MRXNPFEDSA-N 1 0 403.445 1.585 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035991558 569074667 /nfs/dbraw/zinc/07/46/67/569074667.db2.gz ZLOSXVKYOXUZNZ-IBGZPJMESA-N 1 0 404.486 1.977 50 0 HDAARO C[C@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)NCC[NH+]3CCCCCC3)s2)C1 ZINC000064836846 569104890 /nfs/dbraw/zinc/10/48/90/569104890.db2.gz QDULCTJAPOTBEW-HNNXBMFYSA-N 1 0 418.567 1.993 50 0 HDAARO Cc1ccc(CN2CCN(CC(=O)NCCC[NH+]3CCCCC3)C(=O)C2=O)cc1 ZINC000064888683 569115510 /nfs/dbraw/zinc/11/55/10/569115510.db2.gz YOYAYIGRGDEZKR-UHFFFAOYSA-N 1 0 400.523 1.158 50 0 HDAARO Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NCC[NH+]1CCCCC1)c2=O ZINC000064970684 569138727 /nfs/dbraw/zinc/13/87/27/569138727.db2.gz WCODABMORPSPIS-UHFFFAOYSA-N 1 0 408.506 1.801 50 0 HDAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1 ZINC000065226804 569200136 /nfs/dbraw/zinc/20/01/36/569200136.db2.gz PAVSSHQIIYBMRX-GOSISDBHSA-N 1 0 416.570 1.520 50 0 HDAARO O=C(NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1cc(=O)[nH]c2ccccc21 ZINC000524732238 569212564 /nfs/dbraw/zinc/21/25/64/569212564.db2.gz RHRHYMPKYXTUPO-CVEARBPZSA-N 1 0 404.470 1.951 50 0 biogenic HDAARO CCn1c2cc(C(=O)N3CCN(C4CC[NH+](C)CC4)CC3)ccc2n2nccc2c1=O ZINC000065270817 569213418 /nfs/dbraw/zinc/21/34/18/569213418.db2.gz WORDIANNIWQBRA-UHFFFAOYSA-N 1 0 422.533 1.521 50 0 HDAARO Cc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2CC(=O)NCCC[NH+]1CCCCC1 ZINC000065306817 569220767 /nfs/dbraw/zinc/22/07/67/569220767.db2.gz GZUMYWKXVLPRQD-HXUWFJFHSA-N 1 0 412.534 1.938 50 0 HDAARO CN(C)S(=O)(=O)c1ccc(-c2noc(C(=O)NCC[NH+]3CCCCCC3)n2)cc1 ZINC000065319277 569222029 /nfs/dbraw/zinc/22/20/29/569222029.db2.gz XMWXDLUAUXVNTF-UHFFFAOYSA-N 1 0 421.523 1.593 50 0 HDAARO CC(=O)N1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)cc2)CC1 ZINC000170592316 569241086 /nfs/dbraw/zinc/24/10/86/569241086.db2.gz IUKIHJDWCQCRQR-QFIPXVFZSA-N 1 0 414.550 1.933 50 0 HDAARO COc1ccc(CN2C[C@@H](C(=O)N(C)CC3CC[NH+](C[C@@H](C)O)CC3)CC2=O)cc1 ZINC000089895912 569267975 /nfs/dbraw/zinc/26/79/75/569267975.db2.gz IUALEDUAIQJFAZ-XLIONFOSSA-N 1 0 417.550 1.595 50 0 HDAARO CCC(CC)(C[NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C(=O)OC ZINC000089943039 569269369 /nfs/dbraw/zinc/26/93/69/569269369.db2.gz HHINJMQPEDAUBN-MRXNPFEDSA-N 1 0 402.557 1.514 50 0 HDAARO CCOC(=O)N1CCC2(CC1)NC(=[NH2+])Nc1nc3cc4c(cc3n12)OCCCO4 ZINC000007738382 569305138 /nfs/dbraw/zinc/30/51/38/569305138.db2.gz RYZLZYSCRXKFPD-UHFFFAOYSA-N 1 0 400.439 1.652 50 0 HDAARO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000253406603 569366085 /nfs/dbraw/zinc/36/60/85/569366085.db2.gz UTJKXLGXXFVIPG-MRXNPFEDSA-N 1 0 405.520 1.730 50 0 HDAARO Cc1ccc(C)n1CC[NH+]1CCN(C(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)CC1 ZINC000253413687 569366821 /nfs/dbraw/zinc/36/68/21/569366821.db2.gz VKRXGQMZQCAZLZ-HXUWFJFHSA-N 1 0 423.517 1.390 50 0 biogenic HDAARO COc1cc(C[NH2+]CCc2cccnc2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000019221885 569414463 /nfs/dbraw/zinc/41/44/63/569414463.db2.gz DCIGDBPGJLTFMK-HXUWFJFHSA-N 1 0 401.507 1.494 50 0 HDAARO CCC[NH+]1CCN(CCCNC(=O)CN2c3ccccc3O[C@@H](CC)C2=O)CC1 ZINC000019359203 569420453 /nfs/dbraw/zinc/42/04/53/569420453.db2.gz SMUSYQLLDKQQOY-IBGZPJMESA-N 1 0 402.539 1.725 50 0 HDAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)C1 ZINC000079023734 569424654 /nfs/dbraw/zinc/42/46/54/569424654.db2.gz UDKGLGXFHVIYSX-HZPDHXFCSA-N 1 0 403.527 1.596 50 0 HDAARO CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008996697 571208790 /nfs/dbraw/zinc/20/87/90/571208790.db2.gz MEFPCADWLCGDLH-OAHLLOKOSA-N 1 0 417.535 1.518 50 0 HDAARO COc1ccc(CC(=O)N[C@H](C)C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1 ZINC000008996282 571208904 /nfs/dbraw/zinc/20/89/04/571208904.db2.gz MBALDADSYRWHNH-OAHLLOKOSA-N 1 0 411.506 1.129 50 0 HDAARO Cc1nn(CC(=O)NCC[NH+]2CCCCCC2)c(=O)c2cc(-c3ccccc3)nn21 ZINC000009727630 571282575 /nfs/dbraw/zinc/28/25/75/571282575.db2.gz MUWMZUYTRLKWNU-UHFFFAOYSA-N 1 0 408.506 1.859 50 0 HDAARO O=C([O-])[C@@H](CC(=O)Nc1cccc(O)c1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000071280364 571290624 /nfs/dbraw/zinc/29/06/24/571290624.db2.gz QKKVGQKEQOWCRR-KRWDZBQOSA-N 1 0 404.511 1.135 50 0 HDAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)CCn3cncn3)C2)cc1OC ZINC000012385865 1073543220 /nfs/dbraw/zinc/54/32/20/1073543220.db2.gz QHOJSDBOFSYERT-GOSISDBHSA-N 1 0 401.511 1.851 50 0 HDAARO O=C(Cc1cccnc1)N1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000012439412 1073962820 /nfs/dbraw/zinc/96/28/20/1073962820.db2.gz LOXNJDAVZJAKEF-OAQYLSRUSA-N 1 0 414.550 1.622 50 0 HDAARO C[N@@H+]1CCCN(C(=O)c2cn(CCNC(=O)Cc3ccc4ccccc4c3)nn2)CC1 ZINC000012470853 1074176795 /nfs/dbraw/zinc/17/67/95/1074176795.db2.gz BFSUKRWNYIPDLH-UHFFFAOYSA-N 1 0 420.517 1.568 50 0 HDAARO Cn1c2nc3n(c2c(=O)n(CC[NH+]2CCCCC2)c1=O)CCCN3c1ccccc1 ZINC000005804369 132307945 /nfs/dbraw/zinc/30/79/45/132307945.db2.gz YARPALRZYBCCHJ-UHFFFAOYSA-N 1 0 408.506 1.924 50 0 HDAARO O=C(C[C@@H]1C(=O)NCCN1CCc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012055563 132353366 /nfs/dbraw/zinc/35/33/66/132353366.db2.gz DRZLYVPCPNXVMF-OAQYLSRUSA-N 1 0 407.518 1.163 50 0 HDAARO CC1=C(C(=O)Nc2ccccc2C(=O)NCCN2CC[NH+](C)CC2)SCCO1 ZINC000020514216 520811132 /nfs/dbraw/zinc/81/11/32/520811132.db2.gz CKGWSVPNLSOVPZ-UHFFFAOYSA-N 1 0 404.536 1.597 50 0 HDAARO COCCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(C)c(C)cc1C ZINC000045944828 523238816 /nfs/dbraw/zinc/23/88/16/523238816.db2.gz CICLKNHRAVKQLD-UHFFFAOYSA-N 1 0 411.568 1.461 50 0 HDAARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022766170 524459907 /nfs/dbraw/zinc/45/99/07/524459907.db2.gz CEHLBYPMEQQGCF-SFHVURJKSA-N 1 0 402.520 1.800 50 0 HDAARO Cc1nc(CC(=O)N2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)cs1 ZINC000012225469 526786420 /nfs/dbraw/zinc/78/64/20/526786420.db2.gz CNBJSHHUVAXCCW-UHFFFAOYSA-N 1 0 420.579 1.556 50 0 HDAARO NS(=O)(=O)c1ccc(CC[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1 ZINC000032682394 527311612 /nfs/dbraw/zinc/31/16/12/527311612.db2.gz NRVORXLAHSLKTQ-GHTZIAJQSA-N 1 0 404.532 1.921 50 0 HDAARO CC1CCN(c2nn3c(nc(=O)cc3C(=O)NCCC[NH+]3CCCCC3)s2)CC1 ZINC000035377853 557533569 /nfs/dbraw/zinc/53/35/69/557533569.db2.gz FAVMCJZTLFKADE-UHFFFAOYSA-N 1 0 418.567 1.993 50 0 HDAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(F)c2)N2CC[NH+](C)CC2)cc1 ZINC000022778526 557821201 /nfs/dbraw/zinc/82/12/01/557821201.db2.gz GPVOSBZHRSAFTF-FQEVSTJZSA-N 1 0 414.481 1.878 50 0 HDAARO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3nc(-c4cnccn4)no3)CC2)C1 ZINC000011814527 558278800 /nfs/dbraw/zinc/27/88/00/558278800.db2.gz FLACYSBFCXWTPI-OAHLLOKOSA-N 1 0 400.483 1.766 50 0 HDAARO O=C([C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1)N1CC[NH+](CC2CCCC2)CC1 ZINC000019770638 558279396 /nfs/dbraw/zinc/27/93/96/558279396.db2.gz FDLZATUNHVNVQB-HXUWFJFHSA-N 1 0 418.582 1.572 50 0 HDAARO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000011818304 558281548 /nfs/dbraw/zinc/28/15/48/558281548.db2.gz OWAIQCWDBMIJBO-MRXNPFEDSA-N 1 0 404.536 1.166 50 0 HDAARO COc1cccc(C[NH2+]CCc2cccnc2)c1OC[C@H](O)CN1CCOCC1 ZINC000011821267 558284496 /nfs/dbraw/zinc/28/44/96/558284496.db2.gz ABHQXNWHOWEZGU-HXUWFJFHSA-N 1 0 401.507 1.494 50 0 HDAARO COc1ccccc1C[N@H+]1CCc2nnc([C@@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000012030816 558311166 /nfs/dbraw/zinc/31/11/66/558311166.db2.gz FOALPLMHTGOCPC-SFHVURJKSA-N 1 0 407.540 1.591 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@@]2(CC)CCC(=O)NC2=O)cc1 ZINC000012409050 558399562 /nfs/dbraw/zinc/39/95/62/558399562.db2.gz CGHVAHMREGLLNB-HTAPYJJXSA-N 1 0 414.506 1.310 50 0 HDAARO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)CCNC(C)=O ZINC000012575075 558430689 /nfs/dbraw/zinc/43/06/89/558430689.db2.gz GZBBBZMBBJLHAP-LJQANCHMSA-N 1 0 401.551 1.867 50 0 HDAARO O=C(C[C@@H]1C(=O)NCCN1CCCc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012712173 558453329 /nfs/dbraw/zinc/45/33/29/558453329.db2.gz NKCFIJCSZTWVME-JOCHJYFZSA-N 1 0 421.545 1.554 50 0 HDAARO COCCN1C[C@@H](C(=O)N(CCc2ccccc2)CC2CC[NH+](C)CC2)CC1=O ZINC000012713720 558454181 /nfs/dbraw/zinc/45/41/81/558454181.db2.gz JXSZQAKXMLWFKF-NRFANRHFSA-N 1 0 401.551 1.894 50 0 HDAARO COc1ccc([C@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)[NH+]2CCCC2)cc1 ZINC000012792153 558466288 /nfs/dbraw/zinc/46/62/88/558466288.db2.gz MMFBEDWQOFWBNK-SFHVURJKSA-N 1 0 414.506 1.813 50 0 HDAARO CCC(CC)[C@@H](CNC(=O)CN(C)S(=O)(=O)c1cccs1)[NH+]1CCOCC1 ZINC000013013111 558503617 /nfs/dbraw/zinc/50/36/17/558503617.db2.gz IZZKCUOCVYNHST-MRXNPFEDSA-N 1 0 417.597 1.622 50 0 HDAARO O[C@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000022892389 558518888 /nfs/dbraw/zinc/51/88/88/558518888.db2.gz VDJKQHIHRAVHKB-VXKWHMMOSA-N 1 0 404.518 1.635 50 0 HDAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@@]21c2cc(Cl)ccc2NC1=O ZINC000013575477 558543415 /nfs/dbraw/zinc/54/34/15/558543415.db2.gz BXFSNOBRBARMKI-UOFMYRISSA-N 1 0 418.881 1.124 50 0 HDAARO C[NH+](C)CCc1nnc(NC(=O)N2CCC(C(=O)NCc3ccco3)CC2)s1 ZINC000023380342 558555230 /nfs/dbraw/zinc/55/52/30/558555230.db2.gz HTSKKMMLQVFSFF-UHFFFAOYSA-N 1 0 406.512 1.796 50 0 HDAARO O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023623051 558563815 /nfs/dbraw/zinc/56/38/15/558563815.db2.gz CWILTBHWAHYOLE-UHFFFAOYSA-N 1 0 406.527 1.392 50 0 HDAARO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)CCCCC1 ZINC000014157413 558625784 /nfs/dbraw/zinc/62/57/84/558625784.db2.gz QTMZIOSSLONQKO-KRWDZBQOSA-N 1 0 418.563 1.981 50 0 HDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000014254498 558650959 /nfs/dbraw/zinc/65/09/59/558650959.db2.gz HJPOOGATRURWSB-SFHVURJKSA-N 1 0 409.552 1.558 50 0 HDAARO CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014745652 558668920 /nfs/dbraw/zinc/66/89/20/558668920.db2.gz AJGQELZKBKTSAF-UHFFFAOYSA-N 1 0 402.495 1.522 50 0 HDAARO COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+]([C@H](C)COC)CC2 ZINC000014751859 558671070 /nfs/dbraw/zinc/67/10/70/558671070.db2.gz HNQLIGKXWOHCHE-QGZVFWFLSA-N 1 0 415.534 1.934 50 0 HDAARO CCOc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)CCOC)n3CC2)cc1 ZINC000014879269 558675487 /nfs/dbraw/zinc/67/54/87/558675487.db2.gz KVAQWXZIYPGIBV-MRXNPFEDSA-N 1 0 401.511 1.949 50 0 HDAARO CCOc1ccccc1C[N@H+]1CCc2nnc([C@@H](C)NC(=O)CCOC)n2CC1 ZINC000014884617 558677223 /nfs/dbraw/zinc/67/72/23/558677223.db2.gz FAUPQTBLMUIOGN-MRXNPFEDSA-N 1 0 401.511 1.949 50 0 HDAARO COc1cc(O)ccc1C[N@H+]1CCc2nnc([C@@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000014885581 558677431 /nfs/dbraw/zinc/67/74/31/558677431.db2.gz KYCQEZSTDUCVIQ-SFHVURJKSA-N 1 0 423.539 1.297 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)c2c(C)oc3ncnc(N4CCOCC4)c32)CC1 ZINC000022937132 558678889 /nfs/dbraw/zinc/67/88/89/558678889.db2.gz STCQLZDNZOIDLZ-UHFFFAOYSA-N 1 0 416.526 1.125 50 0 HDAARO CC(C)CC(=O)C(=O)N1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000014968790 558686674 /nfs/dbraw/zinc/68/66/74/558686674.db2.gz LEONRDVYPGZXRS-IBGZPJMESA-N 1 0 407.555 1.600 50 0 HDAARO CCOc1ccccc1C[N@H+]1CCc2nnc([C@@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000014992005 558694851 /nfs/dbraw/zinc/69/48/51/558694851.db2.gz SXUGFUANLLCQMM-IBGZPJMESA-N 1 0 421.567 1.981 50 0 HDAARO CC[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1OC)[N@@H+]1CCc2ccccc2C1 ZINC000029911384 558723768 /nfs/dbraw/zinc/72/37/68/558723768.db2.gz MIOYDWNRTMWYHW-KRWDZBQOSA-N 1 0 417.531 1.909 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)CCC(=O)N2C[C@H]3CCCN3c3ccccc32)CC1 ZINC000022937389 558725006 /nfs/dbraw/zinc/72/50/06/558725006.db2.gz SGEUSVJUOWXPSW-LJQANCHMSA-N 1 0 413.566 1.536 50 0 HDAARO NC(=O)CSc1nn2c(nc3c(c2=O)C[N@H+](CCc2ccccc2)CC3)s1 ZINC000015414140 558738728 /nfs/dbraw/zinc/73/87/28/558738728.db2.gz GQJFBSKFCBZSJY-UHFFFAOYSA-N 1 0 401.517 1.329 50 0 HDAARO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)cc1 ZINC000015671298 558748523 /nfs/dbraw/zinc/74/85/23/558748523.db2.gz XBJINNSGPISJNH-UHFFFAOYSA-N 1 0 417.535 1.441 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21c2ccccc2NC1=O ZINC000016022025 558767592 /nfs/dbraw/zinc/76/75/92/558767592.db2.gz VEGZLQMJTUOQDI-GBPOLFSSSA-N 1 0 405.454 1.296 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21c2ccccc2NC1=O ZINC000016021976 558767644 /nfs/dbraw/zinc/76/76/44/558767644.db2.gz SUAAXFICVDZZOP-FDGPYGQJSA-N 1 0 419.481 1.686 50 0 HDAARO C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000016022274 558768097 /nfs/dbraw/zinc/76/80/97/558768097.db2.gz KGIBNLXTGYSZQO-KDSOVNPWSA-N 1 0 406.280 1.988 50 0 HDAARO CCOc1ccc(C(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)cc1 ZINC000017307337 558826758 /nfs/dbraw/zinc/82/67/58/558826758.db2.gz TXIQMDFJBFRYDD-UHFFFAOYSA-N 1 0 411.506 1.983 50 0 HDAARO CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCN2CCOCC2)c1 ZINC000033002202 558826956 /nfs/dbraw/zinc/82/69/56/558826956.db2.gz XONGBKMLGXMCAO-UHFFFAOYSA-N 1 0 417.531 1.964 50 0 HDAARO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000018250403 558834710 /nfs/dbraw/zinc/83/47/10/558834710.db2.gz FFUITZZYGCXRLQ-INIZCTEOSA-N 1 0 407.879 1.452 50 0 HDAARO Cc1cnc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)nc1N ZINC000071385649 558897389 /nfs/dbraw/zinc/89/73/89/558897389.db2.gz NFZFFGGYQIAQKI-GOSISDBHSA-N 1 0 409.538 1.759 50 0 HDAARO CCc1cnc(C)nc1N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071745665 558908308 /nfs/dbraw/zinc/90/83/08/558908308.db2.gz XFMIVMBRYRDMFR-LJQANCHMSA-N 1 0 401.555 1.887 50 0 HDAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3cccnn3)CC2)C1 ZINC000071751209 558908959 /nfs/dbraw/zinc/90/89/59/558908959.db2.gz ISQRIFOEQVZOGX-GOSISDBHSA-N 1 0 408.506 1.505 50 0 HDAARO CCn1nc(C(=O)N(CC(=O)N(C)C)C[C@@H]2CCC[N@@H+]2CC)c2ccccc2c1=O ZINC000058223626 558913172 /nfs/dbraw/zinc/91/31/72/558913172.db2.gz ATMSMPATCNXWDQ-INIZCTEOSA-N 1 0 413.522 1.431 50 0 HDAARO Cn1c2ccccc2n(CCC(=O)NCc2ccc(N3CCC[N@H+](C)CC3)nc2)c1=O ZINC000058265343 558915525 /nfs/dbraw/zinc/91/55/25/558915525.db2.gz LLQGYJKIVCKMKS-UHFFFAOYSA-N 1 0 422.533 1.583 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000033254515 558918359 /nfs/dbraw/zinc/91/83/59/558918359.db2.gz IOTBIFZXGSMQFM-UHFFFAOYSA-N 1 0 422.595 1.231 50 0 HDAARO C[NH+]1CCN(CCCNC(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000033060249 558954350 /nfs/dbraw/zinc/95/43/50/558954350.db2.gz OZUXZHSIPJFSQR-UHFFFAOYSA-N 1 0 406.487 1.297 50 0 HDAARO CCNc1nc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc(C)[nH+]1 ZINC000065363446 558974477 /nfs/dbraw/zinc/97/44/77/558974477.db2.gz ZZPQYIHRPDCXCU-UHFFFAOYSA-N 1 0 419.507 1.499 50 0 HDAARO Cc1cc(CN2CCC3(CN(CCCN4CC[C@@H]([NH+](C)C)C4)C(=O)O3)CC2)on1 ZINC000072426773 558978927 /nfs/dbraw/zinc/97/89/27/558978927.db2.gz SNAVFBMPQKQZSE-GOSISDBHSA-N 1 0 405.543 1.796 50 0 HDAARO Cc1nc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000072446910 558982669 /nfs/dbraw/zinc/98/26/69/558982669.db2.gz MEAJOFLBWLYRRP-UHFFFAOYSA-N 1 0 408.506 1.464 50 0 HDAARO Cc1noc(C)c1S(=O)(=O)N1CCN(c2cc(N3CCCCC3)[nH+]c(C)n2)CC1 ZINC000067603742 558988183 /nfs/dbraw/zinc/98/81/83/558988183.db2.gz BGOIKEUVKKQISK-UHFFFAOYSA-N 1 0 420.539 1.891 50 0 HDAARO CC[NH+]1CCN([C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2cccnc2)CC1 ZINC000022457148 558995232 /nfs/dbraw/zinc/99/52/32/558995232.db2.gz NIVNYRFMAINJAZ-HXUWFJFHSA-N 1 0 413.497 1.332 50 0 HDAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)c3cccnc3OC)CC2)OC1=O ZINC000077322618 559001461 /nfs/dbraw/zinc/00/14/61/559001461.db2.gz OHIHDBQWKWXRLJ-UHFFFAOYSA-N 1 0 406.483 1.095 50 0 HDAARO CC[NH+]1CCN(CCCN2CC3(CCN(c4nccc(NC)n4)CC3)OC2=O)CC1 ZINC000077338032 559001696 /nfs/dbraw/zinc/00/16/96/559001696.db2.gz MBDLAVGNVSRTOK-UHFFFAOYSA-N 1 0 417.558 1.337 50 0 HDAARO CSCCC(=O)N1CCC2(CN(CCN3CC[NH+](C(C)C)CC3)C(=O)O2)CC1 ZINC000077356173 559002364 /nfs/dbraw/zinc/00/23/64/559002364.db2.gz QFJQXBSTCKMCPA-UHFFFAOYSA-N 1 0 412.600 1.579 50 0 HDAARO Cc1cn2cc(CNC(=O)c3ccc(C[N@@H+]4CCC[C@@H]4CCO)[nH]c3=O)nc2s1 ZINC000077486821 559007060 /nfs/dbraw/zinc/00/70/60/559007060.db2.gz PRJANKYCWPUNHV-MRXNPFEDSA-N 1 0 415.519 1.669 50 0 HDAARO Cc1cn2cc(CNC(=O)c3ccc(C[N@@H+]4CCC[C@H]4CCO)[nH]c3=O)nc2s1 ZINC000077486824 559007096 /nfs/dbraw/zinc/00/70/96/559007096.db2.gz PRJANKYCWPUNHV-INIZCTEOSA-N 1 0 415.519 1.669 50 0 HDAARO CC(C)SCC(=O)N1CCC2(CN(CCN3CC[C@@H]([NH+](C)C)C3)C(=O)O2)CC1 ZINC000077503562 559007527 /nfs/dbraw/zinc/00/75/27/559007527.db2.gz OWUMFRWNFPUCEQ-QGZVFWFLSA-N 1 0 412.600 1.577 50 0 HDAARO CC[NH+]1CCN(CCCN2CC3(CCN(C(=O)[C@@H]4CC4(C)C)CC3)OC2=O)CC1 ZINC000077504937 559007562 /nfs/dbraw/zinc/00/75/62/559007562.db2.gz YDLHUNCBFYCZDA-SFHVURJKSA-N 1 0 406.571 1.874 50 0 HDAARO Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000023118697 559013424 /nfs/dbraw/zinc/01/34/24/559013424.db2.gz UAQHLAWERMDNQH-IBGZPJMESA-N 1 0 407.511 1.596 50 0 HDAARO COc1ccc(N(C[C@@H](O)CN2CC[NH2+]CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000023118682 559013425 /nfs/dbraw/zinc/01/34/25/559013425.db2.gz YKTFGIWJWCVRQH-IBGZPJMESA-N 1 0 419.547 1.465 50 0 HDAARO CC(C)N(C)C(=O)CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082092818 559037185 /nfs/dbraw/zinc/03/71/85/559037185.db2.gz AHXDAGQLMQBUAY-IBGZPJMESA-N 1 0 415.582 1.741 50 0 HDAARO Cc1cn(CC(=O)N[C@H]2CCCC[N@H+](Cc3ccccc3Cl)C2)c(=O)[nH]c1=O ZINC000082097860 559037671 /nfs/dbraw/zinc/03/76/71/559037671.db2.gz KUDHMCBDUDUPKL-INIZCTEOSA-N 1 0 404.898 1.669 50 0 HDAARO CC(C)OCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082109468 559038880 /nfs/dbraw/zinc/03/88/80/559038880.db2.gz QONMANOPVNMKIM-SFHVURJKSA-N 1 0 402.539 1.826 50 0 HDAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1 ZINC000091907764 559074576 /nfs/dbraw/zinc/07/45/76/559074576.db2.gz QDLYADVCJCTMQK-LJQANCHMSA-N 1 0 401.555 1.989 50 0 HDAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)c3c[nH]c(=O)[nH]c3=O)C2)cc1 ZINC000095507680 559083339 /nfs/dbraw/zinc/08/33/39/559083339.db2.gz DVADSUCRSWUDDE-MRXNPFEDSA-N 1 0 400.479 1.099 50 0 HDAARO Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc(=O)[nH]1 ZINC000095510583 559083767 /nfs/dbraw/zinc/08/37/67/559083767.db2.gz SRGKNDYKPHRZAJ-KRWDZBQOSA-N 1 0 402.539 1.868 50 0 HDAARO COc1ccc(CN(C)Cc2ncc[nH]2)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095520740 559085276 /nfs/dbraw/zinc/08/52/76/559085276.db2.gz AMURCUAPZFHKDQ-SFHVURJKSA-N 1 0 403.527 1.037 50 0 HDAARO Cc1ccc(Cn2c3c(nc2N2CC[NH+](CC(C)C)CC2)n(C)c(=O)[nH]c3=O)cc1 ZINC000005147917 559252796 /nfs/dbraw/zinc/25/27/96/559252796.db2.gz HHVIOJBQIRXFNH-UHFFFAOYSA-N 1 0 410.522 1.558 50 0 HDAARO CC(C)CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)CC1 ZINC000005147933 559252892 /nfs/dbraw/zinc/25/28/92/559252892.db2.gz MKLDXAZUQLYOQL-UHFFFAOYSA-N 1 0 424.549 1.834 50 0 HDAARO Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccccc1)=NN3CC[NH+]1CCCCC1 ZINC000005148098 559252917 /nfs/dbraw/zinc/25/29/17/559252917.db2.gz HDMNCEOSELISLV-UHFFFAOYSA-N 1 0 421.505 1.144 50 0 HDAARO CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2cccn2C)[NH+]2CCCC2)cc1 ZINC000011845719 559261805 /nfs/dbraw/zinc/26/18/05/559261805.db2.gz RXJJUMDPWDAKLI-IBGZPJMESA-N 1 0 404.536 1.842 50 0 HDAARO C[NH+](C)[C@H](CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccccc1 ZINC000011998161 559270044 /nfs/dbraw/zinc/27/00/44/559270044.db2.gz CIMJCOCBJIQNAX-GOSISDBHSA-N 1 0 401.488 1.786 50 0 HDAARO CCCC[N@@H+]1CCn2nc(CNS(=O)(=O)c3cccc4nn(C)nc43)cc2C1 ZINC000426552153 559274617 /nfs/dbraw/zinc/27/46/17/559274617.db2.gz YHXHOBLQVHLSCT-UHFFFAOYSA-N 1 0 403.512 1.259 50 0 HDAARO O=C(C[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O)N1CCOCC1 ZINC000426555462 559274823 /nfs/dbraw/zinc/27/48/23/559274823.db2.gz INMBDLPIHWSTGH-NRFANRHFSA-N 1 0 407.461 1.638 50 0 HDAARO COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000078984979 560541183 /nfs/dbraw/zinc/54/11/83/560541183.db2.gz QVRGUEBGXYSSLE-NVXWUHKLSA-N 1 0 423.535 1.529 50 0 HDAARO COc1cccc(C2=NO[C@@H]3[C@@H]4C[C@H]([C@H]23)[C@H]2C(=O)N(CC[NH+](C)C)C(=O)[C@@H]42)c1OC ZINC000005488411 560597666 /nfs/dbraw/zinc/59/76/66/560597666.db2.gz PDGGZHFADDVANG-DLJSNBOKSA-N 1 0 413.474 1.235 50 0 HDAARO CCOC(=O)[C@H]1CCCN(c2c(=O)c(=O)c2NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000101529890 560797046 /nfs/dbraw/zinc/79/70/46/560797046.db2.gz IPPKHPDKOSWXBU-BBWFWOEESA-N 1 0 405.539 1.842 50 0 HDAARO CCOC(=O)[C@@H]1CCCN(c2c(=O)c(=O)c2NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000101529884 560797060 /nfs/dbraw/zinc/79/70/60/560797060.db2.gz IPPKHPDKOSWXBU-IXDOHACOSA-N 1 0 405.539 1.842 50 0 HDAARO Cn1c2ncn(CC[NH+]3CCC(c4c[nH]c5ccccc54)CC3)c2c(=O)n(C)c1=O ZINC000000538412 560841980 /nfs/dbraw/zinc/84/19/80/560841980.db2.gz OJOSYHJYEWUYGU-UHFFFAOYSA-N 1 0 406.490 1.795 50 0 in-man HDAARO COCCC(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000575560106 560855592 /nfs/dbraw/zinc/85/55/92/560855592.db2.gz WPFWWDZHPCZFAM-IBGZPJMESA-N 1 0 402.539 1.780 50 0 HDAARO O=C(Cn1c(=O)cnc2ccccc21)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000107542526 560896628 /nfs/dbraw/zinc/89/66/28/560896628.db2.gz ZGLWIVNOBGHCMG-MOPGFXCFSA-N 1 0 406.486 1.396 50 0 HDAARO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)cn2)CC1 ZINC000048248929 568433278 /nfs/dbraw/zinc/43/32/78/568433278.db2.gz ZGBLHDQPBSDOFA-UZLBHIALSA-N 1 0 403.552 1.294 50 0 HDAARO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000048308695 568436435 /nfs/dbraw/zinc/43/64/35/568436435.db2.gz DCCVNCSKNWXBNJ-VQTJNVASSA-N 1 0 416.501 1.618 50 0 HDAARO COc1cccc(C[C@@H](C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)n2nnnc2C)c1 ZINC000048299600 568437155 /nfs/dbraw/zinc/43/71/55/568437155.db2.gz JFUSYYOXRSEDNA-PMACEKPBSA-N 1 0 416.526 1.247 50 0 HDAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000048332430 568440164 /nfs/dbraw/zinc/44/01/64/568440164.db2.gz QVWCWOOOEWORHD-IRXDYDNUSA-N 1 0 422.533 1.924 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)CCc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000020181786 568593028 /nfs/dbraw/zinc/59/30/28/568593028.db2.gz LVANAVCNMSVCLY-UHFFFAOYSA-N 1 0 401.511 1.822 50 0 HDAARO CCCCCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000020354919 568599563 /nfs/dbraw/zinc/59/95/63/568599563.db2.gz APYXPEDRYDFRPG-UHFFFAOYSA-N 1 0 424.549 1.931 50 0 HDAARO CCC[C@H]1CN(C(=O)CCN2C(=O)c3ccc(C)cc3C2=O)CC[N@@H+]1CCOC ZINC000095452761 568615256 /nfs/dbraw/zinc/61/52/56/568615256.db2.gz ZCMKENWUFVLKKI-KRWDZBQOSA-N 1 0 401.507 1.940 50 0 HDAARO Cc1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1NC(=O)C1=CSCCO1 ZINC000021019762 568658173 /nfs/dbraw/zinc/65/81/73/568658173.db2.gz XAHVQLFQEFGJES-UHFFFAOYSA-N 1 0 418.563 1.906 50 0 HDAARO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000095995456 568678550 /nfs/dbraw/zinc/67/85/50/568678550.db2.gz GJHZBCUSNSGMMW-DLBZAZTESA-N 1 0 412.575 1.449 50 0 HDAARO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)CC2)C1=O ZINC000239762183 568729649 /nfs/dbraw/zinc/72/96/49/568729649.db2.gz CLDUQPPFUHJNKE-RBUKOAKNSA-N 1 0 414.506 1.229 50 0 HDAARO Cn1cc([C@@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)[NH+](C)C)c2ccccc21 ZINC000021698468 568741209 /nfs/dbraw/zinc/74/12/09/568741209.db2.gz QBCNDINXUULNMI-LJQANCHMSA-N 1 0 422.485 1.942 50 0 HDAARO O=S(=O)(NCCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000056327910 568801521 /nfs/dbraw/zinc/80/15/21/568801521.db2.gz FGYPZGKBARKGKH-UHFFFAOYSA-N 1 0 403.504 1.558 50 0 HDAARO CCC[NH+]1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1 ZINC000012558979 568856910 /nfs/dbraw/zinc/85/69/10/568856910.db2.gz RNMLBMGBOKXUSZ-UHFFFAOYSA-N 1 0 424.549 1.599 50 0 HDAARO CC(C)Oc1ccc(C(=O)NCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000012613857 568871782 /nfs/dbraw/zinc/87/17/82/568871782.db2.gz FTHQWMDBTIGDHC-UHFFFAOYSA-N 1 0 411.506 1.989 50 0 HDAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCN2CCOCC2)CC1 ZINC000299775417 568874524 /nfs/dbraw/zinc/87/45/24/568874524.db2.gz JQFWYAUWGRMQBC-OAQYLSRUSA-N 1 0 421.513 1.229 50 0 HDAARO Cc1nncn1CC[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299799798 568876642 /nfs/dbraw/zinc/87/66/42/568876642.db2.gz SOPJDSCBIHTBQY-HXUWFJFHSA-N 1 0 417.485 1.496 50 0 HDAARO C[NH+](C)[C@H](CNC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)c1cccs1 ZINC000025784884 568914893 /nfs/dbraw/zinc/91/48/93/568914893.db2.gz FKZBJSUJUPYABT-OAHLLOKOSA-N 1 0 420.560 1.986 50 0 HDAARO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000083895721 568923662 /nfs/dbraw/zinc/92/36/62/568923662.db2.gz NTSNGBLGBCAUDO-AWEZNQCLSA-N 1 0 402.900 1.658 50 0 HDAARO Cc1sc2nc(CCNC(=O)c3cn(C[C@H]4CCC[NH2+]C4)nn3)[nH]c(=O)c2c1C ZINC000670454937 568930726 /nfs/dbraw/zinc/93/07/26/568930726.db2.gz VDMMVVIVIFOONH-ZDUSSCGKSA-N 1 0 415.523 1.577 50 0 HDAARO CCCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)CC1 ZINC000004316515 568962322 /nfs/dbraw/zinc/96/23/22/568962322.db2.gz KEIBPXXRDRBMOT-UHFFFAOYSA-N 1 0 414.485 1.533 50 0 HDAARO CCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1 ZINC000004316530 568962482 /nfs/dbraw/zinc/96/24/82/568962482.db2.gz NLIGHYSBUKWGJZ-UHFFFAOYSA-N 1 0 416.913 1.657 50 0 HDAARO CC[NH+](CC)CCNC(=O)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1 ZINC000015777445 569000132 /nfs/dbraw/zinc/00/01/32/569000132.db2.gz XYCMFLIQRKUCBA-UHFFFAOYSA-N 1 0 408.572 1.729 50 0 HDAARO O=C(NCC[NH+]1CCCCC1)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1 ZINC000015777507 569001285 /nfs/dbraw/zinc/00/12/85/569001285.db2.gz ALZOFSQEQZHWNZ-UHFFFAOYSA-N 1 0 420.583 1.874 50 0 HDAARO C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1)n1nnnc1C(C)(C)C ZINC000222182032 569039756 /nfs/dbraw/zinc/03/97/56/569039756.db2.gz PHBJJIZLVQYXDD-GOEBONIOSA-N 1 0 413.526 1.868 50 0 HDAARO O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000229985588 569040740 /nfs/dbraw/zinc/04/07/40/569040740.db2.gz ZGLWIVNOBGHCMG-RTBURBONSA-N 1 0 406.486 1.396 50 0 HDAARO CS(=O)(=O)N1CCC(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000012984859 569047746 /nfs/dbraw/zinc/04/77/46/569047746.db2.gz XZSRTSXWSZVBSJ-UHFFFAOYSA-N 1 0 408.568 1.896 50 0 HDAARO CC1(C)Cc2c(sc3c2c(=O)n(CCCO)c(=O)n3CC[NH+]2CCCC2)CO1 ZINC000006759763 569113305 /nfs/dbraw/zinc/11/33/05/569113305.db2.gz KKNXMVPOCYDQKJ-UHFFFAOYSA-N 1 0 407.536 1.554 50 0 HDAARO C[NH+]1CCN(CCNC(=O)c2csc(-c3ccnc(N4CCOCC4)c3)n2)CC1 ZINC000065062630 569166273 /nfs/dbraw/zinc/16/62/73/569166273.db2.gz MHQUGRUWHMCOOY-UHFFFAOYSA-N 1 0 416.551 1.019 50 0 HDAARO COCCNC1=[NH+]CCNC12CCN(S(=O)(=O)c1ccc(C(C)C)cc1)CC2 ZINC000065074851 569169174 /nfs/dbraw/zinc/16/91/74/569169174.db2.gz BOTSELCFJFQHOC-UHFFFAOYSA-N 1 0 408.568 1.571 50 0 biogenic HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CCSC)n1c(=O)[nH]c2ccccc2c1=O ZINC000524734009 569214045 /nfs/dbraw/zinc/21/40/45/569214045.db2.gz MXBGCQWCSROUDG-PBHICJAKSA-N 1 0 404.536 1.997 50 0 HDAARO CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)N2CC[NH+](C(C)C)CC2)CC3)CC1 ZINC000065273761 569214761 /nfs/dbraw/zinc/21/47/61/569214761.db2.gz KIKQBJPYVULTOF-KRWDZBQOSA-N 1 0 419.595 1.469 50 0 HDAARO C[C@@H](C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1 ZINC000170601433 569243130 /nfs/dbraw/zinc/24/31/30/569243130.db2.gz MQMPZNSQYGDVHE-MBSDFSHPSA-N 1 0 420.517 1.997 50 0 HDAARO C[C@@H](C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1 ZINC000170601431 569243240 /nfs/dbraw/zinc/24/32/40/569243240.db2.gz MQMPZNSQYGDVHE-FDDCHVKYSA-N 1 0 420.517 1.997 50 0 HDAARO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000252452342 569286376 /nfs/dbraw/zinc/28/63/76/569286376.db2.gz DCCVNCSKNWXBNJ-UXHICEINSA-N 1 0 416.501 1.618 50 0 HDAARO O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(O[C@@H]4CCC[NH2+]C4)cc3)cc2c(=O)[nH]1 ZINC000253537650 569383002 /nfs/dbraw/zinc/38/30/02/569383002.db2.gz AAEZBEQEJUVXSE-CQSZACIVSA-N 1 0 416.459 1.973 50 0 HDAARO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)C[NH+]1CCCCC1 ZINC000079111304 569428083 /nfs/dbraw/zinc/42/80/83/569428083.db2.gz ZAIFUISYQOCVEV-INIZCTEOSA-N 1 0 418.542 1.119 50 0 HDAARO O=c1[nH]c2nc(N3CCC([NH+]4CCCCC4)CC3)ncc2c(=O)n1Cc1ccco1 ZINC000067264328 571062214 /nfs/dbraw/zinc/06/22/14/571062214.db2.gz KSURGWWWEHRYOD-UHFFFAOYSA-N 1 0 410.478 1.988 50 0 HDAARO CC[NH+](CC)C[C@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccccc1 ZINC000040069650 571150215 /nfs/dbraw/zinc/15/02/15/571150215.db2.gz VLAUGNODLRCSPT-SFHVURJKSA-N 1 0 409.490 1.445 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000245276781 571222401 /nfs/dbraw/zinc/22/24/01/571222401.db2.gz WBTQCHLHWMXQJH-GJZGRUSLSA-N 1 0 404.540 1.276 50 0 HDAARO CCc1ccc(-c2cc3c(=O)n(CC(=O)NC[C@H]4CCC[N@H+]4CC)ncn3n2)cc1 ZINC000009727258 571282408 /nfs/dbraw/zinc/28/24/08/571282408.db2.gz FVVJZRJTWBCVOE-GOSISDBHSA-N 1 0 408.506 1.721 50 0 HDAARO Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccc(C)cc2)c(=O)n3C)n1CC[NH+](C)C ZINC000010104050 571294944 /nfs/dbraw/zinc/29/49/44/571294944.db2.gz GFZFBDHBFCIGMW-UHFFFAOYSA-N 1 0 408.506 1.685 50 0 HDAARO CC[NH+](CC)CCn1c(C)cn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C ZINC000010233404 571297674 /nfs/dbraw/zinc/29/76/74/571297674.db2.gz MQYSXZRBFTUBKF-UHFFFAOYSA-N 1 0 408.506 1.848 50 0 HDAARO Cc1nn(C)c(C)c1CCC(=O)N1CCC2(C[C@H](CN3CCOCC3)[N@H+](C)C2)CC1 ZINC000169787126 1076034500 /nfs/dbraw/zinc/03/45/00/1076034500.db2.gz NKXPZJABQBNVPM-HXUWFJFHSA-N 1 0 417.598 1.615 50 0 HDAARO CCn1cc(C(=O)NCCC[NH+](C)C)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 ZINC000004083065 132270893 /nfs/dbraw/zinc/27/08/93/132270893.db2.gz XODDLBVQHQTKSX-UHFFFAOYSA-N 1 0 417.529 1.594 50 0 HDAARO COc1ccc(NC(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)cc1 ZINC000009620811 132341765 /nfs/dbraw/zinc/34/17/65/132341765.db2.gz PMWBCTKFKNCTFD-UHFFFAOYSA-N 1 0 412.494 1.984 50 0 HDAARO C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(N4CCCC4=O)cc3)cn2)CC1 ZINC000012984112 132450910 /nfs/dbraw/zinc/45/09/10/132450910.db2.gz MFGSYIIXEACIJE-UHFFFAOYSA-N 1 0 422.533 1.960 50 0 HDAARO CC(C)Cn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020533521 519486059 /nfs/dbraw/zinc/48/60/59/519486059.db2.gz RSHNPMRMVPAKJL-UHFFFAOYSA-N 1 0 424.549 1.408 50 0 HDAARO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCC[NH+](C)C)cc21 ZINC000040450355 521155067 /nfs/dbraw/zinc/15/50/67/521155067.db2.gz HWQSBPHXFXVCDX-UHFFFAOYSA-N 1 0 418.357 1.978 50 0 HDAARO CN1C(=O)COc2ccc(NC(=O)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000044901337 523695988 /nfs/dbraw/zinc/69/59/88/523695988.db2.gz VFOZGYHNVYXLHJ-UHFFFAOYSA-N 1 0 422.485 1.761 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000020548865 523807963 /nfs/dbraw/zinc/80/79/63/523807963.db2.gz HNFXQMYEYFSSGC-QPXQOZNCSA-N 1 0 421.453 1.002 50 0 HDAARO CCc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974355 524010517 /nfs/dbraw/zinc/01/05/17/524010517.db2.gz WQMLAEGWJFECFZ-UHFFFAOYSA-N 1 0 415.559 1.914 50 0 HDAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000041788812 524220156 /nfs/dbraw/zinc/22/01/56/524220156.db2.gz KUHNRWUQFXRKLT-QGZVFWFLSA-N 1 0 415.538 1.190 50 0 HDAARO COc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)C2=O)cc1 ZINC000001246473 557251091 /nfs/dbraw/zinc/25/10/91/557251091.db2.gz KQHOZNLYLAZSEB-SFHVURJKSA-N 1 0 414.506 1.133 50 0 HDAARO Cc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1S(=O)(=O)NCC[NH+](C)C ZINC000002368602 557341171 /nfs/dbraw/zinc/34/11/71/557341171.db2.gz XXIDKWFVXLRFGX-UHFFFAOYSA-N 1 0 400.504 1.749 50 0 HDAARO Cc1cn2c(nc3c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n3C)n1C[C@H]1CCCO1 ZINC000004314246 557539987 /nfs/dbraw/zinc/53/99/87/557539987.db2.gz MHZDUMOBXNXZTB-MRXNPFEDSA-N 1 0 414.510 1.123 50 0 HDAARO Cc1c(C)n2c(nc3c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n3C)n1Cc1ccco1 ZINC000006167077 557692462 /nfs/dbraw/zinc/69/24/62/557692462.db2.gz ONODTLVLOHUZMJ-UHFFFAOYSA-N 1 0 424.505 1.893 50 0 HDAARO COc1cc(C[NH2+]CCSc2nnnn2C)ccc1OCC(=O)NC(C)(C)C ZINC000006882441 557728621 /nfs/dbraw/zinc/72/86/21/557728621.db2.gz RRGUNDOPHAMEJB-UHFFFAOYSA-N 1 0 408.528 1.394 50 0 HDAARO COCCn1c(C)cc(O)c([C@H](c2ccccc2OC)N2CC[NH+](C)CC2)c1=O ZINC000022697610 557784275 /nfs/dbraw/zinc/78/42/75/557784275.db2.gz BDIXUSJMWVAMQV-NRFANRHFSA-N 1 0 401.507 1.854 50 0 HDAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2F)N2CC[NH+](C)CC2)cc1 ZINC000022778517 557821144 /nfs/dbraw/zinc/82/11/44/557821144.db2.gz LNPJUBAAKOOJCN-FQEVSTJZSA-N 1 0 414.481 1.878 50 0 HDAARO COc1ccc([C@@H](CNC(=O)C(=O)NC2CCCCC2)N2CC[NH+](C)CC2)cc1 ZINC000022778503 557821212 /nfs/dbraw/zinc/82/12/12/557821212.db2.gz QYQCXCAJFNQCNJ-HXUWFJFHSA-N 1 0 402.539 1.549 50 0 HDAARO CCc1c(C(=O)NCCCN2CCOCC2)c(=O)cc(C)n1CC[NH+]1CCCCC1 ZINC000020119363 558336824 /nfs/dbraw/zinc/33/68/24/558336824.db2.gz VLFMACXGMZRMKQ-UHFFFAOYSA-N 1 0 418.582 1.657 50 0 HDAARO Cc1cc(C)nc(CC[NH2+]Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)n1 ZINC000020138129 558337977 /nfs/dbraw/zinc/33/79/77/558337977.db2.gz PEHHXGUIFOSXSU-UHFFFAOYSA-N 1 0 408.506 1.854 50 0 HDAARO COc1cc(C[N@H+]2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc(OC)c1 ZINC000020448880 558364189 /nfs/dbraw/zinc/36/41/89/558364189.db2.gz IGDQGLOAISBTQL-UHFFFAOYSA-N 1 0 413.522 1.812 50 0 HDAARO COc1cc(C[NH2+]CCn2nc(C)cc2C)ccc1OC[C@H](O)CN1CCOCC1 ZINC000020451251 558365683 /nfs/dbraw/zinc/36/56/83/558365683.db2.gz TUOYMOWYFNNKSD-HXUWFJFHSA-N 1 0 418.538 1.370 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCC2=NNC(=O)CC2)CC1 ZINC000012304306 558373590 /nfs/dbraw/zinc/37/35/90/558373590.db2.gz XCCCKENXULKAMZ-LJQANCHMSA-N 1 0 419.570 1.652 50 0 HDAARO O=C(Cc1cccs1)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000012314933 558378278 /nfs/dbraw/zinc/37/82/78/558378278.db2.gz KBRARTHORAUHTQ-UHFFFAOYSA-N 1 0 405.564 1.852 50 0 HDAARO Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([N@H+](CCO)Cc1ccccc1)C2 ZINC000020534343 558385517 /nfs/dbraw/zinc/38/55/17/558385517.db2.gz MEICPYANCPTQDU-SFHVURJKSA-N 1 0 414.575 1.961 50 0 HDAARO COc1cc(C[NH2+]CCCn2ccnc2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012445260 558413492 /nfs/dbraw/zinc/41/34/92/558413492.db2.gz PUONILIYFYUPTK-IBGZPJMESA-N 1 0 404.511 1.144 50 0 HDAARO CCOC(=O)c1n[nH]cc1CN1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020869246 558418141 /nfs/dbraw/zinc/41/81/41/558418141.db2.gz GKWDTYHCMUOXQB-IBGZPJMESA-N 1 0 407.559 1.328 50 0 HDAARO Cc1cccn2c(C[NH2+]CCN3CCCC[C@H]3CO)c(C(=O)N3CCOCC3)nc12 ZINC000020996363 558426743 /nfs/dbraw/zinc/42/67/43/558426743.db2.gz ZIHPTDVTNZTCHZ-SFHVURJKSA-N 1 0 415.538 1.052 50 0 HDAARO CC(=O)Nc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H]2CCCO2)c1 ZINC000021885623 558453996 /nfs/dbraw/zinc/45/39/96/558453996.db2.gz NROAQJKHALUVKS-LJQANCHMSA-N 1 0 402.495 1.088 50 0 HDAARO COCCN1C[C@H](C(=O)N(CCc2ccccc2)CC2CC[NH+](C)CC2)CC1=O ZINC000012713724 558454032 /nfs/dbraw/zinc/45/40/32/558454032.db2.gz JXSZQAKXMLWFKF-OAQYLSRUSA-N 1 0 401.551 1.894 50 0 HDAARO NS(=O)(=O)c1ccc(NC(=O)CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022197575 558466321 /nfs/dbraw/zinc/46/63/21/558466321.db2.gz TWKVITUONQBAJI-UHFFFAOYSA-N 1 0 402.520 1.480 50 0 HDAARO CCC(CC)[C@H](CNC(=O)CN(C)S(=O)(=O)c1cccs1)[NH+]1CCOCC1 ZINC000013013112 558503631 /nfs/dbraw/zinc/50/36/31/558503631.db2.gz IZZKCUOCVYNHST-INIZCTEOSA-N 1 0 417.597 1.622 50 0 HDAARO COCCn1nc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)ccc1=O ZINC000022680434 558504156 /nfs/dbraw/zinc/50/41/56/558504156.db2.gz UJNGTNRWFGLLDK-GOSISDBHSA-N 1 0 400.479 1.465 50 0 HDAARO C[C@H](C1CCN(C(=O)Cn2nnnc2CN2CCCCCC2)CC1)[NH+]1CCOCC1 ZINC000023339139 558550398 /nfs/dbraw/zinc/55/03/98/558550398.db2.gz JHBUYDNUXXMFFH-GOSISDBHSA-N 1 0 419.574 1.008 50 0 HDAARO O=C(NCc1ccc(F)cc1)N1CCC(n2cc(CN3CC[NH2+]CC3)nn2)CC1 ZINC000023398555 558556704 /nfs/dbraw/zinc/55/67/04/558556704.db2.gz QBAGDQCGIOZNGF-UHFFFAOYSA-N 1 0 401.490 1.369 50 0 HDAARO O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014535341 558658031 /nfs/dbraw/zinc/65/80/31/558658031.db2.gz GTWNISPXZIEWSY-ZLNRFVROSA-N 1 0 415.578 1.795 50 0 HDAARO O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H]([NH2+]Cc3cc(F)ccc3F)C[C@@H]12 ZINC000014744745 558668540 /nfs/dbraw/zinc/66/85/40/558668540.db2.gz DJOQHAXJIFYIAD-IHPCNDPISA-N 1 0 415.440 1.739 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)C2CCN(c3ncnc4onc(C)c43)CC2)CC1 ZINC000022937211 558723940 /nfs/dbraw/zinc/72/39/40/558723940.db2.gz RYIVGENVNADEJB-UHFFFAOYSA-N 1 0 415.542 1.286 50 0 HDAARO CCC[NH+]1CCN(CCCNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1 ZINC000022938128 558726845 /nfs/dbraw/zinc/72/68/45/558726845.db2.gz XIRNPQIGEIKIDR-UHFFFAOYSA-N 1 0 422.595 1.637 50 0 HDAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C)[NH2+][C@@]32c3ccccc3NC2=O)cc1 ZINC000015306467 558731484 /nfs/dbraw/zinc/73/14/84/558731484.db2.gz APSOXGPIXXHVNR-DLSXTHCTSA-N 1 0 404.426 1.590 50 0 HDAARO CCC[NH+](CCC)CCCNC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O ZINC000004562812 558732835 /nfs/dbraw/zinc/73/28/35/558732835.db2.gz SGSJZYXQMHYTGI-UHFFFAOYSA-N 1 0 415.538 1.531 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016022161 558767842 /nfs/dbraw/zinc/76/78/42/558767842.db2.gz ZIKFKRQUMPHCAR-DICRZQGBSA-N 1 0 403.504 1.197 50 0 HDAARO CC[NH+](CC)CCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000004598389 558834567 /nfs/dbraw/zinc/83/45/67/558834567.db2.gz LLRHDZOVWDBASW-JKSUJKDBSA-N 1 0 410.565 1.439 50 0 HDAARO CCC[NH+]1CCN(C(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)CC1 ZINC000072329657 558865001 /nfs/dbraw/zinc/86/50/01/558865001.db2.gz YDUFEONDCKLWRQ-UHFFFAOYSA-N 1 0 410.478 1.617 50 0 HDAARO C[NH+](C)CCn1ccc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)n1 ZINC000058168050 558907420 /nfs/dbraw/zinc/90/74/20/558907420.db2.gz NBPRYMWOICXCFY-JOCHJYFZSA-N 1 0 424.505 1.772 50 0 HDAARO O=C(c1cnn2cccnc12)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071759131 558909773 /nfs/dbraw/zinc/90/97/73/558909773.db2.gz OOUKNFWJUHXDTM-QGZVFWFLSA-N 1 0 410.522 1.668 50 0 HDAARO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000019597007 558946299 /nfs/dbraw/zinc/94/62/99/558946299.db2.gz PQMKEUWLXYVFCS-MRXNPFEDSA-N 1 0 407.879 1.452 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000033060262 558954617 /nfs/dbraw/zinc/95/46/17/558954617.db2.gz VDDAELLMXIHTJT-UHFFFAOYSA-N 1 0 406.487 1.297 50 0 HDAARO CCn1c2ccccc2n(CC(=O)NCCC[N@H+](C)Cc2ccccc2)c(=O)c1=O ZINC000033068489 558962847 /nfs/dbraw/zinc/96/28/47/558962847.db2.gz OLYVDJNDKUJSST-UHFFFAOYSA-N 1 0 408.502 1.821 50 0 HDAARO CC(=O)Nc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)[nH+]2)cc1 ZINC000065364261 558975285 /nfs/dbraw/zinc/97/52/85/558975285.db2.gz UFRZZTHGTPJWMJ-UHFFFAOYSA-N 1 0 418.523 1.734 50 0 HDAARO Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000065365269 558976413 /nfs/dbraw/zinc/97/64/13/558976413.db2.gz MWMBZVVEGLGPJR-UHFFFAOYSA-N 1 0 421.498 1.272 50 0 HDAARO COc1ccc(-c2cn3cc(C(=O)N4CCC[N@H+](C)CC4)nc3c(=O)n2C)c(F)c1 ZINC000072436013 558980118 /nfs/dbraw/zinc/98/01/18/558980118.db2.gz YWVAVLMBJDCRIN-UHFFFAOYSA-N 1 0 413.453 1.625 50 0 HDAARO COc1ccc(Cl)cc1N([C@@H](C)C(=O)NC1CC[NH+](C)CC1)S(C)(=O)=O ZINC000067612935 558989027 /nfs/dbraw/zinc/98/90/27/558989027.db2.gz NELHAVFMUIRRJY-LBPRGKRZSA-N 1 0 403.932 1.714 50 0 HDAARO Cc1noc(C)c1S(=O)(=O)N1CCN(c2cc(C)[nH+]c(N3CCCCC3)n2)CC1 ZINC000067621254 558989686 /nfs/dbraw/zinc/98/96/86/558989686.db2.gz SLKLXFXACLBRCX-UHFFFAOYSA-N 1 0 420.539 1.891 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000097165418 558998605 /nfs/dbraw/zinc/99/86/05/558998605.db2.gz GSRSOCLLZSJXHO-NSHDSACASA-N 1 0 405.314 1.983 50 0 HDAARO CCCCN1CCN([C@@H](C(=O)N(C)C2CC[NH2+]CC2)c2ccccc2)C(=O)C1=O ZINC000077286435 559000356 /nfs/dbraw/zinc/00/03/56/559000356.db2.gz RZNUWRUQHIFYLS-LJQANCHMSA-N 1 0 400.523 1.409 50 0 HDAARO CCCCN1CCN([C@H](C(=O)N(C)C2CC[NH+](C)CC2)c2ccccc2)C(=O)C1=O ZINC000077376243 559002631 /nfs/dbraw/zinc/00/26/31/559002631.db2.gz LKVWTTXVMDYOIG-FQEVSTJZSA-N 1 0 414.550 1.751 50 0 HDAARO CC(C)SCC(=O)N1CCC2(CN(CCN3CC[C@H]([NH+](C)C)C3)C(=O)O2)CC1 ZINC000077503559 559007528 /nfs/dbraw/zinc/00/75/28/559007528.db2.gz OWUMFRWNFPUCEQ-KRWDZBQOSA-N 1 0 412.600 1.577 50 0 HDAARO Cc1ccc(N(CC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)S(=O)(=O)N(C)C)cc1 ZINC000033269473 559032408 /nfs/dbraw/zinc/03/24/08/559032408.db2.gz YQFKNEZOKBGUQD-GOSISDBHSA-N 1 0 410.584 1.846 50 0 HDAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)N3CCOCC3)CC2)C1 ZINC000082109623 559038777 /nfs/dbraw/zinc/03/87/77/559038777.db2.gz PMOJZAWOOAEWCW-LJQANCHMSA-N 1 0 415.538 1.326 50 0 HDAARO Nc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)nc(N)n1 ZINC000082166309 559042033 /nfs/dbraw/zinc/04/20/33/559042033.db2.gz ZEKPQOPSAWKSRP-HNNXBMFYSA-N 1 0 410.526 1.033 50 0 HDAARO COCCn1c(=O)[nH]c2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)ccc2c1=O ZINC000004791963 559065924 /nfs/dbraw/zinc/06/59/24/559065924.db2.gz APKKWVSVMBVQIF-HNNXBMFYSA-N 1 0 402.495 1.331 50 0 HDAARO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(Cc1nc3ncccn3n1)C2 ZINC000095356963 559079907 /nfs/dbraw/zinc/07/99/07/559079907.db2.gz YOAFKDMKLCDVKI-OPYAIIAOSA-N 1 0 400.527 1.464 50 0 HDAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[N@@H+]1CCCC[C@H]1C)CC2 ZINC000095528091 559086328 /nfs/dbraw/zinc/08/63/28/559086328.db2.gz VPZPZHARTXQHIG-MRXNPFEDSA-N 1 0 403.527 1.133 50 0 HDAARO COc1cc(OC)c(S(=O)(=O)N2CCN(CCCO)CC2)cc1Br ZINC000095461855 559155329 /nfs/dbraw/zinc/15/53/29/559155329.db2.gz UVWHCPSUCRWPPN-UHFFFAOYSA-N 1 0 423.329 1.155 50 0 HDAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1cc(=O)n(C)c(=O)n1C ZINC000011698671 559189731 /nfs/dbraw/zinc/18/97/31/559189731.db2.gz SEHPXAVMBWGUIL-UHFFFAOYSA-N 1 0 416.497 1.250 50 0 HDAARO COc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCC[NH+](C)C)CSC3)cc1 ZINC000004941668 559213742 /nfs/dbraw/zinc/21/37/42/559213742.db2.gz XTFSXQZCYFQHCT-UHFFFAOYSA-N 1 0 403.508 1.634 50 0 HDAARO Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)NCC[NH+]4CCCCCC4)C3)sc2n1 ZINC000005149140 559253205 /nfs/dbraw/zinc/25/32/05/559253205.db2.gz VOGBCOZHVLCTLO-MRXNPFEDSA-N 1 0 418.567 1.668 50 0 HDAARO COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000078984964 560541151 /nfs/dbraw/zinc/54/11/51/560541151.db2.gz QVRGUEBGXYSSLE-WBVHZDCISA-N 1 0 423.535 1.529 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000005346381 560570351 /nfs/dbraw/zinc/57/03/51/560570351.db2.gz IXFIEDYTXCYCOX-LDNFRZNASA-N 1 0 405.882 1.753 50 0 HDAARO C[NH+](C)[C@H](CNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)c1cccs1 ZINC000062581203 560631766 /nfs/dbraw/zinc/63/17/66/560631766.db2.gz LXOOPOXGHHPADC-HUUCEWRRSA-N 1 0 402.586 1.854 50 0 HDAARO Cc1cn2c3c(nc2n1-c1ccccc1)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000005695854 560786406 /nfs/dbraw/zinc/78/64/06/560786406.db2.gz AXCRWCDNTHVXLA-UHFFFAOYSA-N 1 0 406.490 1.933 50 0 HDAARO Cn1cc([C@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)[NH+](C)C)c2ccccc21 ZINC000021698464 568466971 /nfs/dbraw/zinc/46/69/71/568466971.db2.gz QBCNDINXUULNMI-IBGZPJMESA-N 1 0 422.485 1.942 50 0 HDAARO Cn1c2ccccc2n(CCC(=O)NCCC[N@H+](C)C2CCCCC2)c(=O)c1=O ZINC000033272395 568512558 /nfs/dbraw/zinc/51/25/58/568512558.db2.gz RXEYOJRJUWHCCS-UHFFFAOYSA-N 1 0 400.523 1.861 50 0 HDAARO CCn1c(=O)cc(OCC(=O)NCCCN2CC[NH+](CC)CC2)c2ccccc21 ZINC000020280335 568596697 /nfs/dbraw/zinc/59/66/97/568596697.db2.gz LQNCASVUMUAOJE-UHFFFAOYSA-N 1 0 400.523 1.544 50 0 HDAARO Cc1ccc(C)c(C[NH+]2CCC(CN3CNc4c(c(=O)n(C)c(=O)n4C)C3)CC2)c1 ZINC000020320182 568598744 /nfs/dbraw/zinc/59/87/44/568598744.db2.gz VSFMKPYOQREZAV-UHFFFAOYSA-N 1 0 411.550 1.798 50 0 HDAARO C[NH+]1CCN(CCCNC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 ZINC000020414915 568605975 /nfs/dbraw/zinc/60/59/75/568605975.db2.gz LUCATTWQBQAFBM-QGZVFWFLSA-N 1 0 417.583 1.299 50 0 HDAARO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000095406043 568606118 /nfs/dbraw/zinc/60/61/18/568606118.db2.gz PIUQXFQOOQYOPA-QZTJIDSGSA-N 1 0 422.551 1.798 50 0 HDAARO NC(=O)CC[C@@H]1[NH2+][C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@@H]21 ZINC000020610938 568636896 /nfs/dbraw/zinc/63/68/96/568636896.db2.gz ZDQVXJATZQRIFX-QYUDBREXSA-N 1 0 424.501 1.395 50 0 biogenic HDAARO CCOC(=O)N1CCN(C(=O)C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC000225471963 568641164 /nfs/dbraw/zinc/64/11/64/568641164.db2.gz TWZLEFQKTDBEHV-IYBDPMFKSA-N 1 0 410.515 1.086 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2cccn2-c2nnc(N3CCCC3)s2)CC1 ZINC000020980810 568654611 /nfs/dbraw/zinc/65/46/11/568654611.db2.gz IWBCXUQIVNRZCX-UHFFFAOYSA-N 1 0 403.556 1.296 50 0 HDAARO O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1)NCCCCC[NH+]1CCOCC1 ZINC000020996790 568657077 /nfs/dbraw/zinc/65/70/77/568657077.db2.gz VAEHWVYETIOGIZ-HXUWFJFHSA-N 1 0 420.529 1.135 50 0 HDAARO COc1cc2nc(CN3C[C@@H](SC)[C@H]([NH+]4CCCC4)C3)[nH]c(=O)c2cc1OC ZINC000095941532 568662096 /nfs/dbraw/zinc/66/20/96/568662096.db2.gz IXKQWVHGVCUEDA-CRAIPNDOSA-N 1 0 404.536 1.952 50 0 HDAARO Cc1cc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3Cc3cccnc3)CC2)cc(C)[nH+]1 ZINC000015064750 568748778 /nfs/dbraw/zinc/74/87/78/568748778.db2.gz CTYGAMGULONEOT-NRFANRHFSA-N 1 0 422.533 1.133 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)N(C)C(=O)[C@H]2CCCCN32)CC1 ZINC000021938619 568762865 /nfs/dbraw/zinc/76/28/65/568762865.db2.gz QIZMWIHEUCNAEY-HXUWFJFHSA-N 1 0 413.566 1.779 50 0 HDAARO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000230160535 568853593 /nfs/dbraw/zinc/85/35/93/568853593.db2.gz OZLROGAXDOFAQS-JKSUJKDBSA-N 1 0 415.581 1.995 50 0 HDAARO Cc1noc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 ZINC000299755976 568872719 /nfs/dbraw/zinc/87/27/19/568872719.db2.gz GTSXXFGKIDOVSD-GOSISDBHSA-N 1 0 404.442 1.788 50 0 HDAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCn2cncn2)CC1 ZINC000299792616 568876052 /nfs/dbraw/zinc/87/60/52/568876052.db2.gz FGSHAAOHOSCIAX-IBGZPJMESA-N 1 0 403.458 1.188 50 0 HDAARO O=C(COc1ccccc1)NC[C@@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1 ZINC000299793512 568876083 /nfs/dbraw/zinc/87/60/83/568876083.db2.gz HJSDFMNTGBUMKW-HXUWFJFHSA-N 1 0 401.507 1.426 50 0 HDAARO O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670437230 568878271 /nfs/dbraw/zinc/87/82/71/568878271.db2.gz WSALSOSEVPPJSF-WHKWTHTOSA-N 1 0 405.498 1.642 50 0 HDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2cccc(CN3CCOCC3)c2)C1 ZINC000058162187 568894879 /nfs/dbraw/zinc/89/48/79/568894879.db2.gz LIXUZJVRPDBNSB-OAQYLSRUSA-N 1 0 404.555 1.675 50 0 HDAARO COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[NH+](C)C)cc1 ZINC000003419808 568899731 /nfs/dbraw/zinc/89/97/31/568899731.db2.gz QAODNASOOKMGMA-IBGZPJMESA-N 1 0 405.520 1.978 50 0 HDAARO CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc1 ZINC000003524852 568912464 /nfs/dbraw/zinc/91/24/64/568912464.db2.gz OAZQTLJZWSBNEW-UHFFFAOYSA-N 1 0 410.525 1.402 50 0 HDAARO Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCC[NH+]4CCCC4)C3)ccc21 ZINC000015784488 568922580 /nfs/dbraw/zinc/92/25/80/568922580.db2.gz VWLMZEHMTXPECR-GOSISDBHSA-N 1 0 418.563 1.791 50 0 HDAARO Cc1cc(C)n(CCCC(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)n1 ZINC000670451860 568926757 /nfs/dbraw/zinc/92/67/57/568926757.db2.gz WNSGSOLQTKFRES-GWHCDVRWSA-N 1 0 407.562 1.964 50 0 HDAARO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccccc1-c1nc[nH]n1 ZINC000670456672 568937324 /nfs/dbraw/zinc/93/73/24/568937324.db2.gz VGNPRVRSWMYOQY-LBVATQBMSA-N 1 0 414.513 1.769 50 0 HDAARO Cc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000004083974 568939469 /nfs/dbraw/zinc/93/94/69/568939469.db2.gz VKTKIEBEEYNUSW-PXNSSMCTSA-N 1 0 416.566 1.728 50 0 biogenic HDAARO CCn1c(=O)c2ccccc2n(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000015657934 568959340 /nfs/dbraw/zinc/95/93/40/568959340.db2.gz LXWYUBZWIZVPSJ-UHFFFAOYSA-N 1 0 420.513 1.964 50 0 HDAARO Cc1cccc(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CC(C)C)CC2)c1 ZINC000004316438 568962198 /nfs/dbraw/zinc/96/21/98/568962198.db2.gz RSLXIZSUPVBBGW-UHFFFAOYSA-N 1 0 410.522 1.710 50 0 HDAARO Cn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCC[NH+]4CCCC4)CC3)ccc21 ZINC000015784240 569003462 /nfs/dbraw/zinc/00/34/62/569003462.db2.gz OFZRJYBMVQDENM-UHFFFAOYSA-N 1 0 418.563 1.791 50 0 HDAARO CC(=O)Nc1cccc(C(=O)N(CCc2ccccc2)CC(=O)N2CC[NH2+]CC2)c1 ZINC000015864077 569016299 /nfs/dbraw/zinc/01/62/99/569016299.db2.gz GONSDQKFRBHCSY-UHFFFAOYSA-N 1 0 408.502 1.762 50 0 HDAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000035375156 569033954 /nfs/dbraw/zinc/03/39/54/569033954.db2.gz USHOXFDLHHVRMJ-CJRVDHQOSA-N 1 0 406.280 1.988 50 0 HDAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@]21c2cc(Cl)ccc2NC1=O ZINC000035375454 569034021 /nfs/dbraw/zinc/03/40/21/569034021.db2.gz BXFSNOBRBARMKI-XEWICCRGSA-N 1 0 418.881 1.124 50 0 HDAARO CCn1c(=O)c(=O)n(CC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c2cccnc21 ZINC000035449878 569037622 /nfs/dbraw/zinc/03/76/22/569037622.db2.gz JDFBTGLDYYUHPV-UHFFFAOYSA-N 1 0 421.501 1.143 50 0 HDAARO CC[NH+](CC)CCCNC(=O)c1ccc(CN2CC(=O)N3CCCC[C@H]3C2=O)cc1 ZINC000006877475 569048364 /nfs/dbraw/zinc/04/83/64/569048364.db2.gz AGBHKYLAEAVYNK-FQEVSTJZSA-N 1 0 414.550 1.872 50 0 HDAARO CCCCN1CCN([C@H](C(=O)N[C@H]2CC[C@@H]([NH3+])CC2)c2ccccc2)C(=O)C1=O ZINC000244874472 569055172 /nfs/dbraw/zinc/05/51/72/569055172.db2.gz XBUKKGZLJBUSPV-OTWHNJEPSA-N 1 0 400.523 1.585 50 0 HDAARO C[N@@H+]1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(Cc4ccc(F)cc4)C3=O)[C@H]2C1 ZINC000245325995 569055935 /nfs/dbraw/zinc/05/59/35/569055935.db2.gz IMAIZNBJZMIBAU-XXBNENTESA-N 1 0 422.460 1.767 50 0 HDAARO COCC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)C[C@H](O)CN1CCOCC1 ZINC000035840551 569062333 /nfs/dbraw/zinc/06/23/33/569062333.db2.gz LUNKQHGLKZHJAG-JOCHJYFZSA-N 1 0 405.514 1.817 50 0 HDAARO Cc1ccccc1C[NH+]1CCN(CCCNC(=O)c2nc(-c3cncnc3)no2)CC1 ZINC000064459811 569063003 /nfs/dbraw/zinc/06/30/03/569063003.db2.gz VSRNEAXPMMJSIP-UHFFFAOYSA-N 1 0 421.505 1.773 50 0 HDAARO O=C(C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O)N1CCOCC1 ZINC000426656973 569073743 /nfs/dbraw/zinc/07/37/43/569073743.db2.gz PYSHAEZWNFEYPC-NRFANRHFSA-N 1 0 407.461 1.638 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000035991541 569074577 /nfs/dbraw/zinc/07/45/77/569074577.db2.gz VINWKVYCGDQCRV-HXUWFJFHSA-N 1 0 416.522 1.846 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)[C@@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064776044 569093657 /nfs/dbraw/zinc/09/36/57/569093657.db2.gz AGOPCXMBKPJHGR-MRXNPFEDSA-N 1 0 410.522 1.203 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)[C@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064776045 569093739 /nfs/dbraw/zinc/09/37/39/569093739.db2.gz AGOPCXMBKPJHGR-INIZCTEOSA-N 1 0 410.522 1.203 50 0 HDAARO CCn1c2c(C(=O)NCCCOC)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064835954 569104538 /nfs/dbraw/zinc/10/45/38/569104538.db2.gz IGBYYLDQGMKXHQ-UHFFFAOYSA-N 1 0 423.517 1.841 50 0 HDAARO O=C(NCC[NH+]1CCCCCC1)c1cc(=O)nc2sc(N3CCCCC3)nn21 ZINC000064836268 569104692 /nfs/dbraw/zinc/10/46/92/569104692.db2.gz BNNMEVPWLNSQMM-UHFFFAOYSA-N 1 0 404.540 1.747 50 0 HDAARO C[NH+](C)CCNC(=O)[C@H]1CCCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)C1 ZINC000064928784 569123715 /nfs/dbraw/zinc/12/37/15/569123715.db2.gz QNTLPJAMUWYLHL-HNNXBMFYSA-N 1 0 403.914 1.780 50 0 HDAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O ZINC000006798603 569126551 /nfs/dbraw/zinc/12/65/51/569126551.db2.gz VGBCORLKNCGADY-AWEZNQCLSA-N 1 0 400.508 1.610 50 0 HDAARO CCn1c2c(C(=O)N3CCN(c4ccccc4)CC3)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966168 569137342 /nfs/dbraw/zinc/13/73/42/569137342.db2.gz IRCCGDDWUWGMQD-UHFFFAOYSA-N 1 0 406.490 1.124 50 0 HDAARO C[N@@H+]1CCCN(C(=O)[C@@H]2CN(S(=O)(=O)c3cccnc3)CC23CCCCC3)CC1 ZINC000065259796 569210737 /nfs/dbraw/zinc/21/07/37/569210737.db2.gz VSFVESVWHUIYDQ-IBGZPJMESA-N 1 0 420.579 1.817 50 0 biogenic HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CCSC)n1c(=O)[nH]c2ccccc2c1=O ZINC000524734010 569214031 /nfs/dbraw/zinc/21/40/31/569214031.db2.gz MXBGCQWCSROUDG-YOEHRIQHSA-N 1 0 404.536 1.997 50 0 HDAARO O=C(CN1c2ccc(F)cc2C(=O)N2CCC[C@@H]2C1=O)NCC[NH+]1CCCCC1 ZINC000065306877 569220813 /nfs/dbraw/zinc/22/08/13/569220813.db2.gz WHAAMSNXTXJSGH-GOSISDBHSA-N 1 0 402.470 1.379 50 0 HDAARO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000065329549 569224861 /nfs/dbraw/zinc/22/48/61/569224861.db2.gz PQFUUBUZYHDDJS-UHFFFAOYSA-N 1 0 409.490 1.777 50 0 HDAARO CC(C)Cn1c2c(nc1N1CC[NH+](CCCc3ccccc3)CC1)n(C)c(=O)[nH]c2=O ZINC000007424123 569237961 /nfs/dbraw/zinc/23/79/61/569237961.db2.gz JOWAOUYHEWMWEY-UHFFFAOYSA-N 1 0 424.549 1.834 50 0 HDAARO O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000170625392 569250062 /nfs/dbraw/zinc/25/00/62/569250062.db2.gz RFOCGFDKDOBFDE-IBGZPJMESA-N 1 0 410.474 1.871 50 0 HDAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC000002213186 569307866 /nfs/dbraw/zinc/30/78/66/569307866.db2.gz KYFYUUUXPTYWQL-UHFFFAOYSA-N 1 0 416.478 1.879 50 0 HDAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)c4cnn(C)c4)CC3)C2)CC1 ZINC000581819689 569320828 /nfs/dbraw/zinc/32/08/28/569320828.db2.gz CBMBWWHLGHRZMV-HXUWFJFHSA-N 1 0 403.571 1.848 50 0 HDAARO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCCC3)C2)C1 ZINC000011847594 569399040 /nfs/dbraw/zinc/39/90/40/569399040.db2.gz AUHAVOPMYJBVFF-CEXWTWQISA-N 1 0 414.616 1.523 50 0 HDAARO CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](C[NH+]3CCCCC3)[C@H]1[C@@H]2O ZINC000012877508 569404407 /nfs/dbraw/zinc/40/44/07/569404407.db2.gz VHWHLUAIVKKCCK-FVBXKQQTSA-N 1 0 409.523 1.350 50 0 biogenic HDAARO COC1CC[NH+](CCNC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC1 ZINC000079026244 569424915 /nfs/dbraw/zinc/42/49/15/569424915.db2.gz ZIIFNSFHQDVTIC-LLVKDONJSA-N 1 0 418.357 1.856 50 0 HDAARO CCc1c(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cnn1-c1ccc(OC)nn1 ZINC000040120301 571176370 /nfs/dbraw/zinc/17/63/70/571176370.db2.gz GCFGEJHNBLBQNI-INIZCTEOSA-N 1 0 414.510 1.560 50 0 HDAARO COc1cccc(-c2n[nH]cc2C[NH2+]CCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000040153285 571200827 /nfs/dbraw/zinc/20/08/27/571200827.db2.gz APYAQLJVANVRBA-GJZGRUSLSA-N 1 0 408.524 1.614 50 0 HDAARO CCC[NH+]1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(OC)ccc1OC)C2=O ZINC000009660746 571277387 /nfs/dbraw/zinc/27/73/87/571277387.db2.gz LBXWUHKLQVYMGI-UHFFFAOYSA-N 1 0 404.467 1.439 50 0 HDAARO O=C(CN(CCCN1CCCC1=O)C(=O)c1ccc(F)c(Cl)c1)N1CC[NH2+]CC1 ZINC000033032364 571315844 /nfs/dbraw/zinc/31/58/44/571315844.db2.gz CGCFHPLBIJPRJL-UHFFFAOYSA-N 1 0 424.904 1.366 50 0 HDAARO O[C@H](COc1cccc(CN2CCC([NH+]3CCCC3)CC2)c1)CN1CCOCC1 ZINC000012429722 1073946059 /nfs/dbraw/zinc/94/60/59/1073946059.db2.gz PLPAPQVUKPQRCG-QFIPXVFZSA-N 1 0 403.567 1.819 50 0 HDAARO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000009421146 132339500 /nfs/dbraw/zinc/33/95/00/132339500.db2.gz OEGYFMUGPRIQHU-UHFFFAOYSA-N 1 0 421.505 1.197 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccc(C)cc1 ZINC000009420230 132339506 /nfs/dbraw/zinc/33/95/06/132339506.db2.gz ACZNHZTZLMVFJR-QZTJIDSGSA-N 1 0 422.489 1.313 50 0 HDAARO Cc1cc(=O)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)nn1-c1ccccc1 ZINC000011533796 132348193 /nfs/dbraw/zinc/34/81/93/132348193.db2.gz JKMGHAQWZJCUAG-UHFFFAOYSA-N 1 0 418.501 1.618 50 0 HDAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CCN3CCOCC3)C2)CC1 ZINC000012305534 132358311 /nfs/dbraw/zinc/35/83/11/132358311.db2.gz QKJHUDCEHICQFE-NRFANRHFSA-N 1 0 400.567 1.830 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@]21c2cccc(CC)c2NC1=O ZINC000020566357 520562649 /nfs/dbraw/zinc/56/26/49/520562649.db2.gz VVUTVSJEPAOIEU-RPWDQDSNSA-N 1 0 412.490 1.035 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000020566334 523292990 /nfs/dbraw/zinc/29/29/90/523292990.db2.gz GMVWDFZCSGUWIP-VPCSNGCSSA-N 1 0 405.882 1.753 50 0 HDAARO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000041788816 524085725 /nfs/dbraw/zinc/08/57/25/524085725.db2.gz KUHNRWUQFXRKLT-KRWDZBQOSA-N 1 0 415.538 1.190 50 0 HDAARO COc1ccc(C[NH2+][C@H]2CC[C@@H](n3cc(C(=O)NCCO)nn3)CC2)c(C)c1C ZINC000247867291 524094524 /nfs/dbraw/zinc/09/45/24/524094524.db2.gz BHHAONSMJJLUPO-HDICACEKSA-N 1 0 401.511 1.899 50 0 HDAARO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H]2CCCO2)cc1C ZINC000045944387 524313646 /nfs/dbraw/zinc/31/36/46/524313646.db2.gz ZZGUPOBEBFNFAF-IBGZPJMESA-N 1 0 423.579 1.603 50 0 HDAARO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCCC3)C2)cc1 ZINC000072441480 525031315 /nfs/dbraw/zinc/03/13/15/525031315.db2.gz NGDVNKKUTYVZCG-KRWDZBQOSA-N 1 0 409.552 1.698 50 0 HDAARO O=C(Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O)NCc1ccccn1 ZINC000044900534 527415775 /nfs/dbraw/zinc/41/57/75/527415775.db2.gz VLBNHRSMKBDHJA-UHFFFAOYSA-N 1 0 418.501 1.277 50 0 HDAARO C[N@@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@H]2C1 ZINC000009111487 536427714 /nfs/dbraw/zinc/42/77/14/536427714.db2.gz GAPJEHCZNLQGOM-FOIQADDNSA-N 1 0 404.898 1.880 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 ZINC000001214814 557245179 /nfs/dbraw/zinc/24/51/79/557245179.db2.gz NDZYVJKKAZUJAO-IBGZPJMESA-N 1 0 412.534 1.162 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 ZINC000001246678 557251151 /nfs/dbraw/zinc/25/11/51/557251151.db2.gz MTXMMRNMKNDOQH-KRWDZBQOSA-N 1 0 418.925 1.778 50 0 HDAARO COCCCNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C2CCOCC2)C3)c1C ZINC000071890463 557315977 /nfs/dbraw/zinc/31/59/77/557315977.db2.gz GLEYGQSPPYHTPS-UHFFFAOYSA-N 1 0 413.522 1.879 50 0 HDAARO Cc1cn2c(nc3c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n3C)n1C[C@@H]1CCCO1 ZINC000004314243 557539968 /nfs/dbraw/zinc/53/99/68/557539968.db2.gz MHZDUMOBXNXZTB-INIZCTEOSA-N 1 0 414.510 1.123 50 0 HDAARO C[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008744221 557804356 /nfs/dbraw/zinc/80/43/56/557804356.db2.gz YBJCGHBXEDJUGC-LBPRGKRZSA-N 1 0 403.433 1.470 50 0 HDAARO Cc1ccc([C@@H](CNC(=O)C(=O)NCCc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022796608 557823281 /nfs/dbraw/zinc/82/32/81/557823281.db2.gz RBWJMKMFOFSLRB-JOCHJYFZSA-N 1 0 408.546 1.759 50 0 HDAARO COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022796542 557823360 /nfs/dbraw/zinc/82/33/60/557823360.db2.gz OEUIZXWSHDMBAL-QFIPXVFZSA-N 1 0 424.545 1.725 50 0 HDAARO COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000011768534 558274047 /nfs/dbraw/zinc/27/40/47/558274047.db2.gz HAFDOZSZGXNQCU-SFHVURJKSA-N 1 0 403.523 1.869 50 0 HDAARO COC(=O)CN(C)C(=O)c1cccc(OC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000019770390 558279408 /nfs/dbraw/zinc/27/94/08/558279408.db2.gz WVTFUKRWGCIUQQ-UHFFFAOYSA-N 1 0 403.523 1.869 50 0 HDAARO COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+](C)C2CCOCC2)c1 ZINC000011838428 558285279 /nfs/dbraw/zinc/28/52/79/558285279.db2.gz CECVDPLJYATLPA-FQEVSTJZSA-N 1 0 408.539 1.502 50 0 HDAARO O=C(CCN1CC[NH+](CCO)CC1)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000019912460 558306871 /nfs/dbraw/zinc/30/68/71/558306871.db2.gz OLQQCRIMGCTTHK-UHFFFAOYSA-N 1 0 402.539 1.688 50 0 HDAARO CC[NH+](CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1 ZINC000019972753 558316461 /nfs/dbraw/zinc/31/64/61/558316461.db2.gz GDNNXPDCFZRUHO-UHFFFAOYSA-N 1 0 400.483 1.668 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1 ZINC000012201431 558351510 /nfs/dbraw/zinc/35/15/10/558351510.db2.gz UXHSYZXZQRRUII-MRXNPFEDSA-N 1 0 409.552 1.704 50 0 HDAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH+]3CCC4(CC3)OCCO4)C2=O)c1 ZINC000012574587 558430452 /nfs/dbraw/zinc/43/04/52/558430452.db2.gz VSJHQLATYBZOIH-HXUWFJFHSA-N 1 0 408.470 1.527 50 0 HDAARO Cc1ccc(NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)c(Br)c1 ZINC000022932740 558488184 /nfs/dbraw/zinc/48/81/84/558488184.db2.gz KSQMFEGZVMJWSY-UHFFFAOYSA-N 1 0 409.328 1.592 50 0 HDAARO CC(C)[NH+](CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(C)C ZINC000022623367 558503410 /nfs/dbraw/zinc/50/34/10/558503410.db2.gz COZZPKMMKRWOHF-SFHVURJKSA-N 1 0 411.568 1.993 50 0 HDAARO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](CC)CC2)=[NH+][C@@H]1c1ccc(OC)cc1OC ZINC000013550777 558538988 /nfs/dbraw/zinc/53/89/88/558538988.db2.gz IOYDTSWBMBUVDA-ZWKOTPCHSA-N 1 0 418.494 1.048 50 0 HDAARO COC(=O)C1=C(N)Oc2cc(C)n(CC[NH+](C)C)c(=O)c2[C@H]1c1ccccc1F ZINC000004570644 558742822 /nfs/dbraw/zinc/74/28/22/558742822.db2.gz HLHACDMDERCYAH-MRXNPFEDSA-N 1 0 401.438 1.725 50 0 HDAARO CC(C)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000015972459 558764688 /nfs/dbraw/zinc/76/46/88/558764688.db2.gz KQSLGNRBHBKFTM-LCONNIHZSA-N 1 0 417.893 1.895 50 0 HDAARO O=C(Cn1c2ccccc2c(=O)n(Cc2ccccc2)c1=O)NCC[NH+]1CCCCC1 ZINC000071283157 558765469 /nfs/dbraw/zinc/76/54/69/558765469.db2.gz ZUCDYWUSMYSBPP-UHFFFAOYSA-N 1 0 420.513 1.814 50 0 HDAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3c[nH]cn3)CC2)C1 ZINC000020855905 558770516 /nfs/dbraw/zinc/77/05/16/558770516.db2.gz FMHYJIKDYDDDAO-IYBDPMFKSA-N 1 0 411.572 1.295 50 0 HDAARO CCC[NH+]1CCN(CCCNC(=O)Cn2c3cc(C)c(C)cc3nc(C)c2=O)CC1 ZINC000022938556 558771019 /nfs/dbraw/zinc/77/10/19/558771019.db2.gz DLDJVTTYKFRMIL-UHFFFAOYSA-N 1 0 413.566 1.856 50 0 HDAARO COc1ccc(NC(=O)c2nnc(CSCC(=O)NCC[NH+](C)C)s2)cc1 ZINC000032986984 558806961 /nfs/dbraw/zinc/80/69/61/558806961.db2.gz ZRYJZKPOQIINEK-UHFFFAOYSA-N 1 0 409.537 1.710 50 0 HDAARO COCC1CC[NH+](Cc2cccc(OC)c2OC[C@@H](O)CN2CCOCC2)CC1 ZINC000039405474 558820906 /nfs/dbraw/zinc/82/09/06/558820906.db2.gz VGPRNHXVXZDKGH-FQEVSTJZSA-N 1 0 408.539 1.626 50 0 HDAARO Cc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)C2=O)c(C)c1 ZINC000018250514 558834745 /nfs/dbraw/zinc/83/47/45/558834745.db2.gz DKAKYJMOZRSACW-LJQANCHMSA-N 1 0 412.534 1.741 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)CC1 ZINC000018286168 558835434 /nfs/dbraw/zinc/83/54/34/558835434.db2.gz OJNZTQNJZNCFET-QGZVFWFLSA-N 1 0 418.925 1.778 50 0 HDAARO Cn1ccnc1SCC[NH2+]Cc1cccc(OC[C@@H](O)CN2CCOCC2)c1 ZINC000019334388 558869357 /nfs/dbraw/zinc/86/93/57/558869357.db2.gz OFKFPQRPDNVRKI-SFHVURJKSA-N 1 0 406.552 1.374 50 0 HDAARO CC(C)CCn1c2c(nc1N1CC[NH+](Cc3ccccc3)CC1)n(C)c(=O)[nH]c2=O ZINC000056900457 558886674 /nfs/dbraw/zinc/88/66/74/558886674.db2.gz RWMLICWRQFFVOQ-UHFFFAOYSA-N 1 0 410.522 1.792 50 0 HDAARO C[N@H+](CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C1CC1 ZINC000058151555 558902539 /nfs/dbraw/zinc/90/25/39/558902539.db2.gz RQJWNGVQEDSIHY-UHFFFAOYSA-N 1 0 405.564 1.786 50 0 HDAARO C[NH+](C)CCn1ccc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)n1 ZINC000058168049 558907497 /nfs/dbraw/zinc/90/74/97/558907497.db2.gz NBPRYMWOICXCFY-QFIPXVFZSA-N 1 0 424.505 1.772 50 0 HDAARO CCCc1cncnc1N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071751312 558909094 /nfs/dbraw/zinc/90/90/94/558909094.db2.gz VYRCMHFPQWAGFQ-IBGZPJMESA-N 1 0 401.555 1.969 50 0 HDAARO COc1cc(OC)nc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071775954 558911823 /nfs/dbraw/zinc/91/18/23/558911823.db2.gz CJIGFFZDHDAAMW-INIZCTEOSA-N 1 0 403.527 1.797 50 0 HDAARO C[C@H]1Sc2ccc(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)cc2NC1=O ZINC000058264407 558915322 /nfs/dbraw/zinc/91/53/22/558915322.db2.gz FXOBBRDJNYDYRA-CZUORRHYSA-N 1 0 404.536 1.792 50 0 HDAARO Cc1cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064799888 558965836 /nfs/dbraw/zinc/96/58/36/558965836.db2.gz NFLPODUULYRUKI-UHFFFAOYSA-N 1 0 411.462 1.313 50 0 HDAARO COc1ccccc1NC(=O)N1CCN(c2nc(N3CCOCC3)cc(C)[nH+]2)CC1 ZINC000065362165 558972853 /nfs/dbraw/zinc/97/28/53/558972853.db2.gz RBZGHJNZJDDZGF-UHFFFAOYSA-N 1 0 412.494 1.984 50 0 HDAARO C[NH+]1CCN(c2ccc(NC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)CC1 ZINC000065363754 558974721 /nfs/dbraw/zinc/97/47/21/558974721.db2.gz MJTWBKNDJQAQFL-UHFFFAOYSA-N 1 0 420.510 1.982 50 0 HDAARO COc1ccc(CC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)cc1 ZINC000065364676 558975746 /nfs/dbraw/zinc/97/57/46/558975746.db2.gz UDNFLHKPQTZDFN-UHFFFAOYSA-N 1 0 411.506 1.522 50 0 HDAARO Cc1nc(C)c(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)s1 ZINC000067601902 558987665 /nfs/dbraw/zinc/98/76/65/558987665.db2.gz BXROSKWVTCJGHJ-UHFFFAOYSA-N 1 0 402.524 1.657 50 0 HDAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)[nH+]1 ZINC000067613906 558989335 /nfs/dbraw/zinc/98/93/35/558989335.db2.gz UVXPOVKBZXLWGW-UHFFFAOYSA-N 1 0 403.433 1.862 50 0 HDAARO CCCCN1CCN([C@H](C(=O)N(C)C2CC[NH2+]CC2)c2ccccc2)C(=O)C1=O ZINC000077286432 559000370 /nfs/dbraw/zinc/00/03/70/559000370.db2.gz RZNUWRUQHIFYLS-IBGZPJMESA-N 1 0 400.523 1.409 50 0 HDAARO Cc1cn2cc(CNC(=O)c3ccc(C[N@@H+](C)C4CCOCC4)[nH]c3=O)nc2s1 ZINC000077287861 559000501 /nfs/dbraw/zinc/00/05/01/559000501.db2.gz WJWSQMHMXUGIJT-UHFFFAOYSA-N 1 0 415.519 1.933 50 0 HDAARO CN(Cc1nccs1)S(=O)(=O)c1ccc2c(c1)CN(C(=O)C[NH+](C)C)CC2 ZINC000077389928 559003521 /nfs/dbraw/zinc/00/35/21/559003521.db2.gz PUPCFTKMVRKUBV-UHFFFAOYSA-N 1 0 408.549 1.410 50 0 HDAARO CCOCCC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H]3CCC[N@H+](C)C3)ccc2C1 ZINC000077459636 559006187 /nfs/dbraw/zinc/00/61/87/559006187.db2.gz NLYKEFCMCBCNFN-KRWDZBQOSA-N 1 0 423.579 1.618 50 0 HDAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)c3cnc4ccccn43)CC2)OC1=O ZINC000077470631 559006472 /nfs/dbraw/zinc/00/64/72/559006472.db2.gz AIBJPVLZBZMJBF-UHFFFAOYSA-N 1 0 415.494 1.340 50 0 HDAARO CCCS(=O)(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082138443 559040453 /nfs/dbraw/zinc/04/04/53/559040453.db2.gz GRPMUKXJAUDSQI-KRWDZBQOSA-N 1 0 408.568 1.614 50 0 HDAARO CN(C)C(=O)CNC(=O)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082157636 559041473 /nfs/dbraw/zinc/04/14/73/559041473.db2.gz ZAZBQUHQQUMJMB-FQEVSTJZSA-N 1 0 400.567 1.610 50 0 HDAARO COCCn1c(=O)[nH]c2cc(C(=O)NCC[NH+]3[C@@H](C)CCC[C@@H]3C)ccc2c1=O ZINC000004791790 559065495 /nfs/dbraw/zinc/06/54/95/559065495.db2.gz YTQNMJFWDBQOMQ-GJZGRUSLSA-N 1 0 402.495 1.329 50 0 HDAARO COCCn1c(=O)[nH]c2cc(C(=O)NCCC[N@H+](C)Cc3ccccc3)ccc2c1=O ZINC000004791347 559065605 /nfs/dbraw/zinc/06/56/05/559065605.db2.gz GAYXUELCVOATAE-UHFFFAOYSA-N 1 0 424.501 1.588 50 0 HDAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCOC)c2=O ZINC000004791400 559065692 /nfs/dbraw/zinc/06/56/92/559065692.db2.gz MDWQFTYRLQRVOP-QGZVFWFLSA-N 1 0 416.522 1.721 50 0 HDAARO COc1ccc(CN2CCS(=O)(=O)CC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095503963 559082898 /nfs/dbraw/zinc/08/28/98/559082898.db2.gz RIVQZDQNIQSJSS-KRWDZBQOSA-N 1 0 400.541 1.006 50 0 HDAARO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC ZINC000095524399 559085779 /nfs/dbraw/zinc/08/57/79/559085779.db2.gz NVHKNGJOJKBSAA-QGZVFWFLSA-N 1 0 403.527 1.133 50 0 HDAARO CN1C(=O)N(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C(=O)C12CCCCC2 ZINC000023736683 559179579 /nfs/dbraw/zinc/17/95/79/559179579.db2.gz XMDBFZSBNQKOCM-UHFFFAOYSA-N 1 0 420.554 1.735 50 0 HDAARO COc1ccc(OC)c(N2C(=O)[C@H]3[C@H](C(N)=O)N4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c1 ZINC000247912549 559248955 /nfs/dbraw/zinc/24/89/55/559248955.db2.gz KWNKGIMQBJAHEY-MTQWCTHYSA-N 1 0 419.437 1.705 50 0 HDAARO Cn1c2nc(N3CC[NH2+]CC3)n(Cc3ccc(Cl)c(Cl)c3)c2c(=O)[nH]c1=O ZINC000005147948 559252909 /nfs/dbraw/zinc/25/29/09/559252909.db2.gz BZANOUCNDKCZSN-UHFFFAOYSA-N 1 0 409.277 1.188 50 0 HDAARO CC(C)C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)CC1 ZINC000005147932 559252922 /nfs/dbraw/zinc/25/29/22/559252922.db2.gz VVFAOQSHVPARNE-UHFFFAOYSA-N 1 0 410.522 1.444 50 0 HDAARO O=c1occ(C[NH+]2CCSCC2)c([O-])c1CN1CC[NH+](C2CCOCC2)CC1 ZINC000101410454 560794387 /nfs/dbraw/zinc/79/43/87/560794387.db2.gz IVCSWRJEXZZUOI-UHFFFAOYSA-N 1 0 409.552 1.191 50 0 HDAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3ccc(Cn4cncn4)cc3)cn2)CC1 ZINC000048235139 568432822 /nfs/dbraw/zinc/43/28/22/568432822.db2.gz MZRBZNSYKPKGOF-UHFFFAOYSA-N 1 0 405.506 1.793 50 0 HDAARO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000048274282 568434157 /nfs/dbraw/zinc/43/41/57/568434157.db2.gz IXJUQKCQXXQDSM-OALUTQOASA-N 1 0 404.490 1.377 50 0 HDAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(-n2cncn2)nc1 ZINC000048326185 568438983 /nfs/dbraw/zinc/43/89/83/568438983.db2.gz YGTIZDICLVRJGO-UHFFFAOYSA-N 1 0 420.521 1.992 50 0 HDAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(-n3cnnc3)c2)[NH+](C)C)cc1 ZINC000049544658 568451209 /nfs/dbraw/zinc/45/12/09/568451209.db2.gz DWAZVYLTSXKTBT-IBGZPJMESA-N 1 0 408.462 1.634 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)CCC(=O)N2C[C@H](C)Oc3ccccc32)CC1 ZINC000020466258 568610335 /nfs/dbraw/zinc/61/03/35/568610335.db2.gz NIQLNGUNPCYTRL-SFHVURJKSA-N 1 0 402.539 1.725 50 0 HDAARO CN(C[C@@H](O)C[NH+]1CCc2ccccc2CC1)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000095446577 568611968 /nfs/dbraw/zinc/61/19/68/568611968.db2.gz YHQJLKRKLSLEFQ-HXUWFJFHSA-N 1 0 416.543 1.624 50 0 HDAARO CC[NH+]1CCC(N(CC(=O)N(CCC(N)=O)c2ccccc2OC)C2CC2)CC1 ZINC000095446698 568611988 /nfs/dbraw/zinc/61/19/88/568611988.db2.gz ABPRYAIHAUSILI-UHFFFAOYSA-N 1 0 402.539 1.852 50 0 HDAARO COCCN1C(=O)C[C@@H](C[NH2+][C@H](C)C(C)(C)n2cncn2)[C@@H]1c1cnn(C)c1C ZINC000225412645 568635458 /nfs/dbraw/zinc/63/54/58/568635458.db2.gz VXDWWOMKOQHURZ-JTDSTZFVSA-N 1 0 403.531 1.269 50 0 HDAARO COC(=O)CC[C@H]1C[N@H+](Cc2cc3c(c(OC)c2)OCO3)CC[C@H]1N1CCOCC1 ZINC000020599740 568636021 /nfs/dbraw/zinc/63/60/21/568636021.db2.gz DZGVPUVVYCGGML-ZWKOTPCHSA-N 1 0 420.506 1.900 50 0 HDAARO Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 ZINC000020614357 568637810 /nfs/dbraw/zinc/63/78/10/568637810.db2.gz OYNYMNCVZWNKPY-LJQANCHMSA-N 1 0 424.501 1.767 50 0 HDAARO Cc1noc2ncn(CC(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)c(=O)c12 ZINC000020941803 568652964 /nfs/dbraw/zinc/65/29/64/568652964.db2.gz ZNYRYPMEQXIWMS-UHFFFAOYSA-N 1 0 410.478 1.021 50 0 HDAARO C[C@H]1C[NH+](CCC2CCN(C(=O)CNc3ccccc3C(N)=O)CC2)C[C@H](C)O1 ZINC000225707025 568666331 /nfs/dbraw/zinc/66/63/31/568666331.db2.gz SPTAYWSBOHWRCM-IRXDYDNUSA-N 1 0 402.539 1.935 50 0 HDAARO C[C@H]1[C@H](NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCC[N@@H+]1C ZINC000096010239 568683745 /nfs/dbraw/zinc/68/37/45/568683745.db2.gz NFXLZIZQVZTWTK-SWLSCSKDSA-N 1 0 418.357 1.716 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2cccn2-c2nnc(N3CCCCC3)s2)CC1 ZINC000021535474 568711847 /nfs/dbraw/zinc/71/18/47/568711847.db2.gz XLXNLQKRYXYYCF-UHFFFAOYSA-N 1 0 417.583 1.686 50 0 HDAARO Cc1cccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)NCC[NH+]3CCCC3)c2=O)c1 ZINC000096318108 568727167 /nfs/dbraw/zinc/72/71/67/568727167.db2.gz SSBNCIZSVLMDBG-UHFFFAOYSA-N 1 0 420.513 1.981 50 0 HDAARO CC[NH+]1CCN(c2nc(N3CCN(C(=O)c4ccco4)CC3)nc3c2cnn3C)CC1 ZINC000021930145 568761604 /nfs/dbraw/zinc/76/16/04/568761604.db2.gz YZEXAIZEZZGMSS-UHFFFAOYSA-N 1 0 424.509 1.061 50 0 HDAARO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1 ZINC000022582848 568771053 /nfs/dbraw/zinc/77/10/53/568771053.db2.gz PREUBHKTLPIOFQ-IBGZPJMESA-N 1 0 424.501 1.767 50 0 HDAARO O=C(Cn1ncccc1=O)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1 ZINC000225631345 568777707 /nfs/dbraw/zinc/77/77/07/568777707.db2.gz JSONBUKDBHNEBZ-OAQYLSRUSA-N 1 0 410.518 1.916 50 0 HDAARO O=C(Cn1ncccc1=O)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1 ZINC000225631374 568777772 /nfs/dbraw/zinc/77/77/72/568777772.db2.gz JSONBUKDBHNEBZ-NRFANRHFSA-N 1 0 410.518 1.916 50 0 HDAARO C[C@H]([NH2+]C[C@@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000003211788 568862159 /nfs/dbraw/zinc/86/21/59/568862159.db2.gz DGUBEVHBQSTJMV-PKOBYXMFSA-N 1 0 420.531 1.798 50 0 HDAARO C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)C3CC[NH+](C)CC3)c2)C[C@H](C)O1 ZINC000003216008 568862614 /nfs/dbraw/zinc/86/26/14/568862614.db2.gz MMHFWSFOBJBQJU-HOTGVXAUSA-N 1 0 409.552 1.651 50 0 HDAARO O=c1[nH]ccn1CC[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299763533 568873559 /nfs/dbraw/zinc/87/35/59/568873559.db2.gz WPVIKDXMSSOKGF-LJQANCHMSA-N 1 0 418.469 1.086 50 0 HDAARO Cc1cc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)nc(C)n1 ZINC000299768606 568873894 /nfs/dbraw/zinc/87/38/94/568873894.db2.gz KBSFGDJXQMLJPY-IBGZPJMESA-N 1 0 415.538 1.173 50 0 HDAARO Cc1ccc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c(=O)[nH]1 ZINC000299769056 568874000 /nfs/dbraw/zinc/87/40/00/568874000.db2.gz IPONFCZTWKASRG-SFHVURJKSA-N 1 0 416.522 1.175 50 0 HDAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCn2cncn2)CC1 ZINC000299792626 568876056 /nfs/dbraw/zinc/87/60/56/568876056.db2.gz FGSHAAOHOSCIAX-LJQANCHMSA-N 1 0 403.458 1.188 50 0 HDAARO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1cccc2c1OCCO2 ZINC000670438471 568883815 /nfs/dbraw/zinc/88/38/15/568883815.db2.gz SZVUBWTYMIPFGW-NZAVSEOKSA-N 1 0 405.498 1.755 50 0 HDAARO CC[N@H+](CCn1cccn1)Cc1ccc(OC[C@H](O)CN2CCOCC2)c(OC)c1 ZINC000012717710 568918080 /nfs/dbraw/zinc/91/80/80/568918080.db2.gz ZZOXACJBEXDMGY-HXUWFJFHSA-N 1 0 418.538 1.486 50 0 HDAARO COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000083895719 568923672 /nfs/dbraw/zinc/92/36/72/568923672.db2.gz NTSNGBLGBCAUDO-CQSZACIVSA-N 1 0 402.900 1.658 50 0 HDAARO CCCCn1c(N2CC[NH+](CCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004316419 568962100 /nfs/dbraw/zinc/96/21/00/568962100.db2.gz ITZNGCAJRTYPNU-UHFFFAOYSA-N 1 0 410.522 1.588 50 0 HDAARO O=C(C[NH+]1CCCCCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000008327841 568992392 /nfs/dbraw/zinc/99/23/92/568992392.db2.gz OYXQFYAVCVOGOH-UHFFFAOYSA-N 1 0 405.564 1.884 50 0 HDAARO O=C1CCCC(=O)N1CCS(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000038584871 569002104 /nfs/dbraw/zinc/00/21/04/569002104.db2.gz RONKHBAKDIVPCY-UHFFFAOYSA-N 1 0 413.565 1.419 50 0 HDAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000008427814 569002198 /nfs/dbraw/zinc/00/21/98/569002198.db2.gz RSBNJMVQISWVQT-ZDUSSCGKSA-N 1 0 416.503 1.516 50 0 HDAARO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000035310476 569031112 /nfs/dbraw/zinc/03/11/12/569031112.db2.gz WHQSTGILLKJOJP-JKSUJKDBSA-N 1 0 418.991 1.651 50 0 HDAARO C[NH+](C)[C@H](CNC(=O)N1CCN(S(C)(=O)=O)C1=O)c1csc2ccccc21 ZINC000575619401 569038781 /nfs/dbraw/zinc/03/87/81/569038781.db2.gz DPMAQSCNYMHDEJ-CQSZACIVSA-N 1 0 410.521 1.911 50 0 HDAARO CC(=O)[C@H]1CC(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)=NN1c1ccccc1 ZINC000222088295 569039735 /nfs/dbraw/zinc/03/97/35/569039735.db2.gz NBHQTJUTXSMLBJ-HTAPYJJXSA-N 1 0 411.550 1.837 50 0 HDAARO CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)CC1 ZINC000035505912 569040888 /nfs/dbraw/zinc/04/08/88/569040888.db2.gz FATYOERMSVSGQL-QGZVFWFLSA-N 1 0 411.572 1.419 50 0 HDAARO CC(=O)[C@H]1CC(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)=NN1c1ccccc1 ZINC000241401119 569054753 /nfs/dbraw/zinc/05/47/53/569054753.db2.gz NBHQTJUTXSMLBJ-VGOFRKELSA-N 1 0 411.550 1.837 50 0 HDAARO C[NH+](C)CCCNC(=O)[C@H]1CC[C@H](CNC(=O)CNC(=O)c2ccccc2)CC1 ZINC000245256138 569055544 /nfs/dbraw/zinc/05/55/44/569055544.db2.gz OBEJDEQMMGFXQS-UAPYVXQJSA-N 1 0 402.539 1.407 50 0 HDAARO C[N@@H+]1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(Cc4ccc(F)cc4)C3=O)[C@H]2C1 ZINC000245325992 569055913 /nfs/dbraw/zinc/05/59/13/569055913.db2.gz IMAIZNBJZMIBAU-AUSIDOKSSA-N 1 0 422.460 1.767 50 0 HDAARO Cc1ccc(C[NH+]2CCN(CCCNC(=O)c3nc(-c4ccncn4)no3)CC2)cc1 ZINC000064459846 569063029 /nfs/dbraw/zinc/06/30/29/569063029.db2.gz VZHSPSPJEQDANL-UHFFFAOYSA-N 1 0 421.505 1.773 50 0 HDAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1nc(-c2cncnc2)no1 ZINC000064459809 569063058 /nfs/dbraw/zinc/06/30/58/569063058.db2.gz SXTVADJIFYLIAT-UHFFFAOYSA-N 1 0 407.478 1.464 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064776042 569093691 /nfs/dbraw/zinc/09/36/91/569093691.db2.gz FCEQDLMRVFUESH-QGZVFWFLSA-N 1 0 424.549 1.593 50 0 HDAARO CCC[NH+]1CCN(CCCNC(=O)Cn2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064775919 569093752 /nfs/dbraw/zinc/09/37/52/569093752.db2.gz PLANRKWOLDCJFY-UHFFFAOYSA-N 1 0 424.549 1.422 50 0 HDAARO CCCn1c2sc3c(c2c(=O)n(CC(=O)NCCCC[NH3+])c1=O)CC(C)(C)OC3 ZINC000006760361 569113396 /nfs/dbraw/zinc/11/33/96/569113396.db2.gz ZFNGYXOFKPWAIP-UHFFFAOYSA-N 1 0 422.551 1.341 50 0 HDAARO CCn1c2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966228 569137501 /nfs/dbraw/zinc/13/75/01/569137501.db2.gz JZEODKPZEFRYBX-UHFFFAOYSA-N 1 0 424.480 1.263 50 0 HDAARO CC[NH+](CC)CCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C ZINC000006819195 569139201 /nfs/dbraw/zinc/13/92/01/569139201.db2.gz JSYLNWVZOSANDD-UHFFFAOYSA-N 1 0 404.536 1.848 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@]2(CC)CCC(=O)NC2=O)cc1 ZINC000036352090 569147064 /nfs/dbraw/zinc/14/70/64/569147064.db2.gz CGHVAHMREGLLNB-VGSWGCGISA-N 1 0 414.506 1.310 50 0 HDAARO COC(=O)c1ccc([C@@H](c2c(N)n(CC(C)C)c(=O)[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000006880692 569167625 /nfs/dbraw/zinc/16/76/25/569167625.db2.gz PFCXWHDDZZRXJF-KRWDZBQOSA-N 1 0 400.479 1.747 50 0 HDAARO Cc1ccc(S(=O)(=O)CCc2noc(C(=O)NCC[NH+]3CCC(C)CC3)n2)cc1 ZINC000065117367 569180200 /nfs/dbraw/zinc/18/02/00/569180200.db2.gz WAFLFXIASHCYMV-UHFFFAOYSA-N 1 0 420.535 1.856 50 0 HDAARO CC[NH+](CC)CCCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000006918210 569181524 /nfs/dbraw/zinc/18/15/24/569181524.db2.gz JJMNHJXVFVTTSQ-SJORKVTESA-N 1 0 424.592 1.829 50 0 HDAARO Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n(CCCC(=O)NCC[NH+](C)C)nc2C ZINC000006944769 569187251 /nfs/dbraw/zinc/18/72/51/569187251.db2.gz GBLLJTWXJITZKQ-UHFFFAOYSA-N 1 0 410.522 1.965 50 0 HDAARO CC(C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)CC1 ZINC000065195550 569194336 /nfs/dbraw/zinc/19/43/36/569194336.db2.gz BSXHNPLIPMQZLN-LJQANCHMSA-N 1 0 424.545 1.891 50 0 HDAARO O=C(CC1(n2cccc2)CCOCC1)NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524731724 569212443 /nfs/dbraw/zinc/21/24/43/569212443.db2.gz IQNYMEUASKCMKA-UXHICEINSA-N 1 0 424.545 1.781 50 0 biogenic HDAARO COc1cccc(C(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)c1OC ZINC000036708060 569222004 /nfs/dbraw/zinc/22/20/04/569222004.db2.gz HTCIIGZHJUSWGJ-UHFFFAOYSA-N 1 0 401.467 1.481 50 0 HDAARO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000065549760 569234862 /nfs/dbraw/zinc/23/48/62/569234862.db2.gz WXEUXHUPGQSLOO-UYAOXDASSA-N 1 0 411.506 1.914 50 0 HDAARO CSc1cccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)N3C2)c1 ZINC000014531180 569260441 /nfs/dbraw/zinc/26/04/41/569260441.db2.gz JVUHPBUXSLRNMQ-DBVUQKKJSA-N 1 0 411.527 1.914 50 0 HDAARO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000497355534 569282009 /nfs/dbraw/zinc/28/20/09/569282009.db2.gz YEPOPTXBSHXYQE-SWLSCSKDSA-N 1 0 407.533 1.773 50 0 HDAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1ccc2c(cnc3ccnn32)c1=O ZINC000253409770 569366412 /nfs/dbraw/zinc/36/64/12/569366412.db2.gz MJKKMNROIXQSTB-FUHWJXTLSA-N 1 0 408.506 1.767 50 0 biogenic HDAARO C[NH+]1CCN(CCOc2ccc(NC(=O)N3CCC4(CC3)OCCO4)cc2)CC1 ZINC000078975117 569422556 /nfs/dbraw/zinc/42/25/56/569422556.db2.gz XVCWNUAGCKAONA-UHFFFAOYSA-N 1 0 404.511 1.684 50 0 HDAARO O=C(c1cc(S(=O)(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c[nH]1)N1CCCC1 ZINC000079105703 569427653 /nfs/dbraw/zinc/42/76/53/569427653.db2.gz ISJKOLXDPICSNM-KRWDZBQOSA-N 1 0 424.567 1.516 50 0 HDAARO CS(=O)(=O)NCCc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000040121715 571177521 /nfs/dbraw/zinc/17/75/21/571177521.db2.gz PJWJAZJJLYAFOY-UHFFFAOYSA-N 1 0 415.581 1.024 50 0 HDAARO CCOc1ccc(C(=O)N[C@H](C)C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1 ZINC000008996834 571209219 /nfs/dbraw/zinc/20/92/19/571209219.db2.gz HDPYCQXCWNITQD-OAHLLOKOSA-N 1 0 411.506 1.590 50 0 HDAARO Cn1c2nc3n(c2c(=O)n(CC[NH+]2CCCCC2)c1=O)CCN3c1ccc(F)cc1 ZINC000009059724 571217281 /nfs/dbraw/zinc/21/72/81/571217281.db2.gz WEKJRZGJQJEFCA-UHFFFAOYSA-N 1 0 412.469 1.673 50 0 HDAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n1 ZINC000009119734 571225008 /nfs/dbraw/zinc/22/50/08/571225008.db2.gz OCZRMCDEZLBYQZ-UHFFFAOYSA-N 1 0 408.509 1.156 50 0 HDAARO Cc1nn(CC(=O)NCC[N@H+]2CCCC[C@H]2C)c(=O)c2cc(-c3ccccc3)nn21 ZINC000009727638 571282526 /nfs/dbraw/zinc/28/25/26/571282526.db2.gz TZARAMUWKHDPGC-MRXNPFEDSA-N 1 0 408.506 1.857 50 0 HDAARO CC1=NN(CC[N@@H+]2CCc3ccccc3C2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000010108928 571295228 /nfs/dbraw/zinc/29/52/28/571295228.db2.gz UJVATYHDVCPFJD-HNNXBMFYSA-N 1 0 421.505 1.249 50 0 HDAARO Cc1nc(SCC[NH2+]Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)n[nH]1 ZINC000012430541 1073942799 /nfs/dbraw/zinc/94/27/99/1073942799.db2.gz NOZRUEMJEKRLKL-QGZVFWFLSA-N 1 0 407.540 1.067 50 0 HDAARO COC(=O)[C@@H]1CCCCN1C(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000012191159 132356395 /nfs/dbraw/zinc/35/63/95/132356395.db2.gz VEWHAUMWYDIWMG-AWEZNQCLSA-N 1 0 417.535 1.919 50 0 HDAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@]21c2cc(Cl)ccc2NC1=O ZINC000020567019 518706624 /nfs/dbraw/zinc/70/66/24/518706624.db2.gz MUSLHQQFYBCSJC-CFEDGUPZSA-N 1 0 418.881 1.124 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@]21c2cccc(CC)c2NC1=O ZINC000020566355 520562505 /nfs/dbraw/zinc/56/25/05/520562505.db2.gz VVUTVSJEPAOIEU-PPSDVSMJSA-N 1 0 412.490 1.035 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000020566328 520562873 /nfs/dbraw/zinc/56/28/73/520562873.db2.gz BQBWRMQNBHJNQQ-OPMHUXHSSA-N 1 0 406.280 1.990 50 0 HDAARO COCCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000045944808 523240183 /nfs/dbraw/zinc/24/01/83/523240183.db2.gz GEXUGSQMEAVTKQ-UHFFFAOYSA-N 1 0 411.568 1.659 50 0 HDAARO COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000045974240 524247971 /nfs/dbraw/zinc/24/79/71/524247971.db2.gz IFQLTLPEPIXCSS-UHFFFAOYSA-N 1 0 415.943 1.714 50 0 HDAARO COc1ccccc1CN1CCn2nc(C(=O)NCC[NH+]3CCCCC3)cc2C1=O ZINC000034811547 557464573 /nfs/dbraw/zinc/46/45/73/557464573.db2.gz GIILTUZWNMNCFK-UHFFFAOYSA-N 1 0 411.506 1.763 50 0 HDAARO CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(CC[NH+](CC)CC)CC1 ZINC000022639199 557484372 /nfs/dbraw/zinc/48/43/72/557484372.db2.gz OXNDXGZDARARGE-UHFFFAOYSA-N 1 0 417.558 1.392 50 0 HDAARO CCOc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Br)c1OC ZINC000008253597 557778104 /nfs/dbraw/zinc/77/81/04/557778104.db2.gz CLKCGBYZPQTXCA-UHFFFAOYSA-N 1 0 414.260 1.341 50 0 HDAARO CC(C)C[C@H](NC(=O)C[NH+](C)C)c1nnc2n1CCN(C(=O)C1=CCCC1)CC2 ZINC000011787835 558276703 /nfs/dbraw/zinc/27/67/03/558276703.db2.gz MUXPBLDGLVJKAX-KRWDZBQOSA-N 1 0 402.543 1.538 50 0 HDAARO O=C(Cn1nnnc1CN1CCCCCC1)N1CCC([NH+]2CCSCC2)CC1 ZINC000011815499 558279293 /nfs/dbraw/zinc/27/92/93/558279293.db2.gz SINVZUARUGDDLA-UHFFFAOYSA-N 1 0 407.588 1.089 50 0 HDAARO COc1cc(C)c(C[N@H+]2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)cc1C ZINC000019837673 558293078 /nfs/dbraw/zinc/29/30/78/558293078.db2.gz UVDNRIVPKJUSNX-KRWDZBQOSA-N 1 0 413.522 1.615 50 0 HDAARO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1cccc(OC)c1OC)CC2 ZINC000012034381 558311655 /nfs/dbraw/zinc/31/16/55/558311655.db2.gz ZPMMAGVXNQXIAW-HNNXBMFYSA-N 1 0 417.510 1.567 50 0 HDAARO C[C@@H]1C[C@@H](C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccccc4)CC3)O2)NC(=S)N1 ZINC000012135355 558333828 /nfs/dbraw/zinc/33/38/28/558333828.db2.gz WGAWWYNMXBYBJU-QRQLOZEOSA-N 1 0 416.591 1.941 50 0 HDAARO COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CC[NH+](C(C)C)CC2)cc1C ZINC000020201419 558345664 /nfs/dbraw/zinc/34/56/64/558345664.db2.gz FXZPBILBGNHMGM-IBGZPJMESA-N 1 0 402.539 1.247 50 0 HDAARO COc1cc(C[NH2+]CCn2nc(C)cc2C)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000020451249 558365698 /nfs/dbraw/zinc/36/56/98/558365698.db2.gz TUOYMOWYFNNKSD-FQEVSTJZSA-N 1 0 418.538 1.370 50 0 HDAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]CCN1CCNC1=O ZINC000012301721 558371551 /nfs/dbraw/zinc/37/15/51/558371551.db2.gz QJWGMKPMYMAQIN-UHFFFAOYSA-N 1 0 406.490 1.721 50 0 HDAARO CC[NH+]1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3nonc3C)c2)CC1 ZINC000020993216 558426293 /nfs/dbraw/zinc/42/62/93/558426293.db2.gz XNYZDRHOYAZTPT-LJQANCHMSA-N 1 0 403.527 1.387 50 0 HDAARO C[N@H+](Cc1ccc2nonc2c1)Cc1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000012578765 558431870 /nfs/dbraw/zinc/43/18/70/558431870.db2.gz QGDWUCLWYLAJDX-LJQANCHMSA-N 1 0 412.490 1.927 50 0 HDAARO CC[NH+](CC)[C@H](CNC(=O)Cn1c2ccccc2c(=O)[nH]c1=O)Cc1ccccc1 ZINC000023197780 558542049 /nfs/dbraw/zinc/54/20/49/558542049.db2.gz YQFKZVDHMYCNHZ-SFHVURJKSA-N 1 0 408.502 1.759 50 0 HDAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CCN1CCOCC1)C2 ZINC000023353988 558551166 /nfs/dbraw/zinc/55/11/66/558551166.db2.gz UEAHNMWIXVSRIB-GOSISDBHSA-N 1 0 403.571 1.554 50 0 HDAARO CC(=O)c1ccc(N2CCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)c(F)c1 ZINC000023673511 558566797 /nfs/dbraw/zinc/56/67/97/558566797.db2.gz SNZNHVITDOSJII-UHFFFAOYSA-N 1 0 417.485 1.124 50 0 HDAARO CCOc1cc2c(cc1OCC)CN(CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)CC2 ZINC000023674744 558567020 /nfs/dbraw/zinc/56/70/20/558567020.db2.gz SWPLYMPXVUEOIF-UHFFFAOYSA-N 1 0 416.522 1.816 50 0 HDAARO CC[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000024756454 558610438 /nfs/dbraw/zinc/61/04/38/558610438.db2.gz NTKKHBHGJJKIRD-UHFFFAOYSA-N 1 0 412.446 1.803 50 0 HDAARO CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H]([NH2+]CC1(O)CCCCC1)C2 ZINC000014534375 558657375 /nfs/dbraw/zinc/65/73/75/558657375.db2.gz BFHXWZZHLXEJHR-GOSISDBHSA-N 1 0 417.598 1.823 50 0 HDAARO [NH3+]CCCC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3)CCN2C1=O ZINC000014540410 558659589 /nfs/dbraw/zinc/65/95/89/558659589.db2.gz CNJVPQGAYZYBKI-LSDHHAIUSA-N 1 0 413.305 1.274 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(CN3c4ccnn4CCC3=O)cc2)CC1 ZINC000022937089 558675164 /nfs/dbraw/zinc/67/51/64/558675164.db2.gz GTPHDFZVOMYISI-UHFFFAOYSA-N 1 0 424.549 1.577 50 0 HDAARO CCOc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)CCOC)n3CC2)cc1 ZINC000014879270 558675549 /nfs/dbraw/zinc/67/55/49/558675549.db2.gz KVAQWXZIYPGIBV-INIZCTEOSA-N 1 0 401.511 1.949 50 0 HDAARO COc1ccc(CC[C@@H](C)[N@H+](C)CCn2cc(C(=O)N3CCN(C)CC3)nn2)cc1 ZINC000014885133 558677391 /nfs/dbraw/zinc/67/73/91/558677391.db2.gz OIYZUPCLOFSKFR-GOSISDBHSA-N 1 0 414.554 1.627 50 0 HDAARO O=C(Cn1cnnn1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000014963683 558684962 /nfs/dbraw/zinc/68/49/62/558684962.db2.gz LNHIWAQWQFHSJF-LJQANCHMSA-N 1 0 416.501 1.732 50 0 HDAARO CC(C)CC(=O)C(=O)N1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000014968795 558686536 /nfs/dbraw/zinc/68/65/36/558686536.db2.gz LEONRDVYPGZXRS-LJQANCHMSA-N 1 0 407.555 1.600 50 0 HDAARO C[NH+]1CCN(CCCNC(=O)C2CCN(c3nc4cccnc4s3)CC2)CC1 ZINC000022937545 558725511 /nfs/dbraw/zinc/72/55/11/558725511.db2.gz YRSIGVWMDIAODK-UHFFFAOYSA-N 1 0 402.568 1.661 50 0 HDAARO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)c1 ZINC000072302801 558755555 /nfs/dbraw/zinc/75/55/55/558755555.db2.gz ATUUMSAQQAKVJR-UHFFFAOYSA-N 1 0 403.504 1.327 50 0 HDAARO CC1(C)CC(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(Cc5ccco5)C(=O)[C@H]24)O3)CC(C)(C)[NH2+]1 ZINC000015905402 558761309 /nfs/dbraw/zinc/76/13/09/558761309.db2.gz RKFITMNYIQHZHA-PRHHBONVSA-N 1 0 413.518 1.987 50 0 HDAARO Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)[nH+]1 ZINC000033318405 558766330 /nfs/dbraw/zinc/76/63/30/558766330.db2.gz DDEISRCBLIAMNB-UHFFFAOYSA-N 1 0 403.508 1.133 50 0 HDAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016022170 558767912 /nfs/dbraw/zinc/76/79/12/558767912.db2.gz USHOXFDLHHVRMJ-MTOHXBAWSA-N 1 0 406.280 1.988 50 0 HDAARO C[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000016022275 558768141 /nfs/dbraw/zinc/76/81/41/558768141.db2.gz KGIBNLXTGYSZQO-JMPINTBWSA-N 1 0 406.280 1.988 50 0 HDAARO CC(=O)Nc1ccc(C(=O)N(CCCOC(C)C)CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000035421960 558791585 /nfs/dbraw/zinc/79/15/85/558791585.db2.gz BLRLZSYXYIMVCA-UHFFFAOYSA-N 1 0 418.538 1.724 50 0 HDAARO CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCC[NH+]3CCCC3)C2)c1C ZINC000035482210 558792873 /nfs/dbraw/zinc/79/28/73/558792873.db2.gz VRLXTQWCDYYWHV-QGZVFWFLSA-N 1 0 418.538 1.872 50 0 HDAARO COc1cc(CN2CC[N@@H+](C3CCN(C(C)=O)CC3)C[C@H]2CCO)cc(OC)c1 ZINC000039445637 558821307 /nfs/dbraw/zinc/82/13/07/558821307.db2.gz ZJTRYIBEPRQIAN-HXUWFJFHSA-N 1 0 405.539 1.583 50 0 HDAARO COC(=O)[C@H](CSCc1ccccc1)NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000004593498 558831692 /nfs/dbraw/zinc/83/16/92/558831692.db2.gz RPNDVTXUFKIAQC-LBPRGKRZSA-N 1 0 407.521 1.324 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000018137255 558831947 /nfs/dbraw/zinc/83/19/47/558831947.db2.gz MGVUFWGLNJOQSF-KRWDZBQOSA-N 1 0 418.925 1.778 50 0 HDAARO O=C(NCCC[NH+]1CCCC1)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000004598403 558834289 /nfs/dbraw/zinc/83/42/89/558834289.db2.gz GPIVKNLQMSYUTK-DLBZAZTESA-N 1 0 422.576 1.583 50 0 HDAARO CC[NH+]1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C)C2=O)CC1 ZINC000001146867 558836288 /nfs/dbraw/zinc/83/62/88/558836288.db2.gz GOMBAWOUKDCUPN-WYMLVPIESA-N 1 0 415.544 1.667 50 0 HDAARO Cc1cccc(C(=O)N(CC[NH+]2CCCCC2)CCS(=O)(=O)N2CCNCC2)c1 ZINC000046141069 558839871 /nfs/dbraw/zinc/83/98/71/558839871.db2.gz KQFWDSXAUKMASN-UHFFFAOYSA-N 1 0 422.595 1.158 50 0 HDAARO CN(C)C(=O)c1cncc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071661913 558906425 /nfs/dbraw/zinc/90/64/25/558906425.db2.gz ZDKGEYQGARQUMQ-QGZVFWFLSA-N 1 0 414.554 1.482 50 0 HDAARO CN(C)C(=O)c1cncc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071661909 558906436 /nfs/dbraw/zinc/90/64/36/558906436.db2.gz ZDKGEYQGARQUMQ-KRWDZBQOSA-N 1 0 414.554 1.482 50 0 HDAARO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000058166758 558907122 /nfs/dbraw/zinc/90/71/22/558907122.db2.gz DIRJZGJGAGRHPD-UYAOXDASSA-N 1 0 416.522 1.781 50 0 HDAARO CN(C)c1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)ncn1 ZINC000071745788 558908448 /nfs/dbraw/zinc/90/84/48/558908448.db2.gz VOEYWZUZNKMVCH-QGZVFWFLSA-N 1 0 402.543 1.082 50 0 HDAARO CC[NH+]1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1 ZINC000019528221 558909166 /nfs/dbraw/zinc/90/91/66/558909166.db2.gz ZKLGOUZQHKOXGS-UHFFFAOYSA-N 1 0 424.549 1.204 50 0 HDAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCOCC4)nc3)cn2)CC1 ZINC000058194903 558910759 /nfs/dbraw/zinc/91/07/59/558910759.db2.gz HVAGQFBSDPAOOP-UHFFFAOYSA-N 1 0 410.522 1.385 50 0 HDAARO CCNc1ncc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000071771000 558911276 /nfs/dbraw/zinc/91/12/76/558911276.db2.gz SCRYWJSVTSKYLD-HNNXBMFYSA-N 1 0 400.527 1.504 50 0 HDAARO COc1ccccc1N1C[C@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1=O ZINC000060131188 558941275 /nfs/dbraw/zinc/94/12/75/558941275.db2.gz YTTLTCWCCFCJAO-GOSISDBHSA-N 1 0 423.517 1.511 50 0 HDAARO COC(=O)c1nn(CN2CC[NH+](Cc3cccc(C)c3)CC2)c(=O)c2noc(C)c21 ZINC000060374512 558941934 /nfs/dbraw/zinc/94/19/34/558941934.db2.gz KJVPSKOSYLCHSI-UHFFFAOYSA-N 1 0 411.462 1.563 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000033060259 558954586 /nfs/dbraw/zinc/95/45/86/558954586.db2.gz JQDCLQDPZBLKSI-UHFFFAOYSA-N 1 0 420.514 1.687 50 0 HDAARO CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)CC1 ZINC000065363576 558974601 /nfs/dbraw/zinc/97/46/01/558974601.db2.gz XEAOUUJQZUEGJJ-UHFFFAOYSA-N 1 0 408.568 1.229 50 0 HDAARO O=C(Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)NCC[NH+]1CCCCC1 ZINC000021944246 558978495 /nfs/dbraw/zinc/97/84/95/558978495.db2.gz BSNCNWWKYIVKFK-UHFFFAOYSA-N 1 0 420.513 1.814 50 0 HDAARO COc1ccc(-c2cn3cc(C(=O)NCC[NH+]4CCCC4)nc3c(=O)n2C)c(F)c1 ZINC000072454577 558982808 /nfs/dbraw/zinc/98/28/08/558982808.db2.gz BOPLANXBWDKDCM-UHFFFAOYSA-N 1 0 413.453 1.673 50 0 HDAARO C[N@H+](CCCN1CC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)OC1=O)C1CCCCC1 ZINC000072481402 558984261 /nfs/dbraw/zinc/98/42/61/558984261.db2.gz CHNGDQLWXQJZAS-UHFFFAOYSA-N 1 0 420.554 1.720 50 0 HDAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)[nH+]1 ZINC000067602117 558987898 /nfs/dbraw/zinc/98/78/98/558987898.db2.gz UXFQSCXRZMWBAB-UHFFFAOYSA-N 1 0 403.433 1.862 50 0 HDAARO CCN(C(=O)C[NH2+][C@H]1CCCC1(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097105566 558993851 /nfs/dbraw/zinc/99/38/51/558993851.db2.gz FQIIJGSYCSXNTC-INIZCTEOSA-N 1 0 413.522 1.688 50 0 HDAARO C[NH+](C)CCCNS(=O)(=O)c1ccc(-c2n[nH]cc2C(=O)N2CCCCC2)o1 ZINC000097111714 558995368 /nfs/dbraw/zinc/99/53/68/558995368.db2.gz FSTQSNFJMMDFBG-UHFFFAOYSA-N 1 0 409.512 1.526 50 0 HDAARO Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CC[NH+](C(C)C)CC2)[C@H]3C1=O ZINC000077343923 559002059 /nfs/dbraw/zinc/00/20/59/559002059.db2.gz LSWXUZOQJOSWKP-MXBUBSDBSA-N 1 0 413.493 1.973 50 0 HDAARO CCc1ncc(C(=O)N2CCC3(CN(CC[N@H+](C)CCOC)C(=O)O3)CC2)cn1 ZINC000077355095 559002212 /nfs/dbraw/zinc/00/22/12/559002212.db2.gz UAMUOEAADDBQRF-UHFFFAOYSA-N 1 0 405.499 1.044 50 0 HDAARO C[NH+](C)[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)C1 ZINC000077387698 559003362 /nfs/dbraw/zinc/00/33/62/559003362.db2.gz VSWGECLGGLCGHV-QGZVFWFLSA-N 1 0 412.490 1.560 50 0 HDAARO Cc1ccc(N2CCC3(CN(CCCN4CC[NH+](C(C)C)CC4)C(=O)O3)CC2)nn1 ZINC000077471089 559006552 /nfs/dbraw/zinc/00/65/52/559006552.db2.gz AAGKWIHLPSJUSF-UHFFFAOYSA-N 1 0 416.570 1.992 50 0 HDAARO Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCC[N@@H+](C)CC3)[C@H]4C2=O)cc1C ZINC000077518318 559008066 /nfs/dbraw/zinc/00/80/66/559008066.db2.gz REVWQCQJVKMNKM-CIEVZJJWSA-N 1 0 409.530 1.750 50 0 HDAARO O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[N@H+]2CCCCC[C@@H]2CO)[nH]c1=O ZINC000077541341 559008975 /nfs/dbraw/zinc/00/89/75/559008975.db2.gz PZCMPCSJKNUYGC-QGZVFWFLSA-N 1 0 413.474 1.771 50 0 HDAARO COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCC[N@H+](C)CC3)[C@H]4C2=O)c1 ZINC000077542140 559009091 /nfs/dbraw/zinc/00/90/91/559009091.db2.gz XAZNPQAJTJXJBZ-MXBUBSDBSA-N 1 0 411.502 1.141 50 0 HDAARO Cc1ccc(S(=O)(=O)N(C[C@H](O)CN2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000023118699 559013446 /nfs/dbraw/zinc/01/34/46/559013446.db2.gz UAQHLAWERMDNQH-LJQANCHMSA-N 1 0 407.511 1.596 50 0 HDAARO CCn1nccc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082096415 559037352 /nfs/dbraw/zinc/03/73/52/559037352.db2.gz SPGDMNQQDGESEY-SFHVURJKSA-N 1 0 424.549 1.931 50 0 HDAARO CNC(=O)C(C)(C)NC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082115747 559039175 /nfs/dbraw/zinc/03/91/75/559039175.db2.gz ZNQORBVGPMAHTP-SFHVURJKSA-N 1 0 401.555 1.399 50 0 HDAARO CC(C)OCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082116306 559039247 /nfs/dbraw/zinc/03/92/47/559039247.db2.gz UIGGAGKSXDBDPZ-LJQANCHMSA-N 1 0 402.539 1.826 50 0 HDAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccc4c(c3)OCO4)CC2)C1)N1CCOCC1 ZINC000082121711 559039575 /nfs/dbraw/zinc/03/95/75/559039575.db2.gz YMWZJKIWAYSMKF-IBGZPJMESA-N 1 0 415.534 1.951 50 0 HDAARO COc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)ncn1 ZINC000082147104 559040815 /nfs/dbraw/zinc/04/08/15/559040815.db2.gz NIWDRYVSFDNCAX-KRWDZBQOSA-N 1 0 410.522 1.877 50 0 HDAARO COc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)ncn1 ZINC000082147107 559040867 /nfs/dbraw/zinc/04/08/67/559040867.db2.gz NIWDRYVSFDNCAX-QGZVFWFLSA-N 1 0 410.522 1.877 50 0 HDAARO C[C@H](CC(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2)[NH+]1CCOCC1 ZINC000091781333 559073613 /nfs/dbraw/zinc/07/36/13/559073613.db2.gz ZVTKLLNBTXLFOR-MRXNPFEDSA-N 1 0 403.527 1.143 50 0 HDAARO CSCC[C@H]([NH3+])C(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 ZINC000091908149 559074537 /nfs/dbraw/zinc/07/45/37/559074537.db2.gz IYUHOPDRJDKSAU-SFHVURJKSA-N 1 0 404.580 1.936 50 0 HDAARO O=C([C@H]1CCC[N@@H+](C2CCOCC2)C1)N1CCN(Cc2ccccc2F)C(=O)C1 ZINC000095352508 559079753 /nfs/dbraw/zinc/07/97/53/559079753.db2.gz GHYFCZBOGUZGJL-SFHVURJKSA-N 1 0 403.498 1.888 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 ZINC000095393635 559081075 /nfs/dbraw/zinc/08/10/75/559081075.db2.gz MTXMMRNMKNDOQH-QGZVFWFLSA-N 1 0 418.925 1.778 50 0 HDAARO COc1cc(CN2CCS(=O)(=O)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095503908 559082681 /nfs/dbraw/zinc/08/26/81/559082681.db2.gz PLNZKEPMMJMRQU-KRWDZBQOSA-N 1 0 400.541 1.006 50 0 HDAARO CCn1c(Cn2cncn2)nnc1C1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000096152463 559098728 /nfs/dbraw/zinc/09/87/28/559098728.db2.gz UOSRQVRJTCFGRV-UHFFFAOYSA-N 1 0 400.531 1.520 50 0 HDAARO O=C(c1ccc(N2[C@@H]3CC[C@H]2C[C@@H](O)C3)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000102780206 559152738 /nfs/dbraw/zinc/15/27/38/559152738.db2.gz RQPKZUZJPLICEH-PMOLBWCYSA-N 1 0 400.523 1.511 50 0 HDAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C[C@@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000409413881 559250890 /nfs/dbraw/zinc/25/08/90/559250890.db2.gz FUCAKXSWTSBMKR-SZMVWBNQSA-N 1 0 402.495 1.813 50 0 HDAARO COc1ccc(N2C(=O)N[C@H](CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000248146323 559265395 /nfs/dbraw/zinc/26/53/95/559265395.db2.gz SPBQKENQJALNBD-LZQZEXGQSA-N 1 0 414.506 1.891 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000005347898 560570843 /nfs/dbraw/zinc/57/08/43/560570843.db2.gz PMQGRELRZUNVEY-VWXURSGXSA-N 1 0 403.454 1.629 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000005347902 560570892 /nfs/dbraw/zinc/57/08/92/560570892.db2.gz PMQGRELRZUNVEY-GRXQJBFDSA-N 1 0 403.454 1.629 50 0 HDAARO O=C(C[NH2+]C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000003310807 560592011 /nfs/dbraw/zinc/59/20/11/560592011.db2.gz QTWCKXKUSOGVFC-LJQANCHMSA-N 1 0 417.531 1.441 50 0 HDAARO COc1ccc(N2C(=O)N[C@H](CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000409415078 560723461 /nfs/dbraw/zinc/72/34/61/560723461.db2.gz SPBQKENQJALNBD-KFKAGJAMSA-N 1 0 414.506 1.891 50 0 HDAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)CCNC(=O)NC3CCCCC3)cn2)CC1 ZINC000048311868 568436974 /nfs/dbraw/zinc/43/69/74/568436974.db2.gz NTZNXESFQYAMJJ-UHFFFAOYSA-N 1 0 416.570 1.862 50 0 HDAARO CCCCCn1c(=O)[nH]c2cc(C(=O)NCCN3CC[NH+](CC)CC3)ccc2c1=O ZINC000020116988 568589427 /nfs/dbraw/zinc/58/94/27/568589427.db2.gz CAJVSJBGMCFKGV-UHFFFAOYSA-N 1 0 415.538 1.247 50 0 HDAARO O=C(c1cccc(O)c1)N1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000095350919 568601116 /nfs/dbraw/zinc/60/11/16/568601116.db2.gz GARLPBSQDLTNKQ-JOCHJYFZSA-N 1 0 423.513 1.875 50 0 HDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2ccccc2)c2ccc3c(c2)OCO3)CC1 ZINC000020614329 568637874 /nfs/dbraw/zinc/63/78/74/568637874.db2.gz BKWOHSZCKIURBO-SFHVURJKSA-N 1 0 410.474 1.459 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)CC1 ZINC000021052315 568661080 /nfs/dbraw/zinc/66/10/80/568661080.db2.gz ZLJSUDSJNUAIHB-QGZVFWFLSA-N 1 0 416.613 1.195 50 0 HDAARO COc1cc2nc(CN3C[C@@H](SC)[C@@H]([NH+]4CCCC4)C3)[nH]c(=O)c2cc1OC ZINC000095941531 568662174 /nfs/dbraw/zinc/66/21/74/568662174.db2.gz IXKQWVHGVCUEDA-MAUKXSAKSA-N 1 0 404.536 1.952 50 0 HDAARO COc1cc(C(=O)NC[C@@H](c2cccn2C)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000021152598 568672630 /nfs/dbraw/zinc/67/26/30/568672630.db2.gz NPHXGCWHBQVBRJ-SFHVURJKSA-N 1 0 416.522 1.769 50 0 HDAARO Cn1cccc1[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CC[NH+](C)CC1 ZINC000021155013 568673285 /nfs/dbraw/zinc/67/32/85/568673285.db2.gz KGSOJRYYERDMJU-SFHVURJKSA-N 1 0 420.535 1.063 50 0 HDAARO O=C(COc1ccc(Cl)cc1)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000096121341 568699608 /nfs/dbraw/zinc/69/96/08/568699608.db2.gz CNRGYFXABOYJRW-UHFFFAOYSA-N 1 0 417.897 1.694 50 0 HDAARO Cc1cc(C)n2nc(C(=O)NCCCN3CC[N@@H+](C)C[C@@H]3c3ccccc3)nc2n1 ZINC000030000266 568855316 /nfs/dbraw/zinc/85/53/16/568855316.db2.gz YFXLRJKPBPDTGJ-LJQANCHMSA-N 1 0 407.522 1.850 50 0 HDAARO Cc1cnccc1C(=O)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299764222 568873619 /nfs/dbraw/zinc/87/36/19/568873619.db2.gz QTUQPWNEHUBWNB-LJQANCHMSA-N 1 0 400.523 1.469 50 0 HDAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1cccc(F)c1 ZINC000299765327 568873708 /nfs/dbraw/zinc/87/37/08/568873708.db2.gz FNDRKZAVOXVBDH-HXUWFJFHSA-N 1 0 403.498 1.905 50 0 HDAARO O=C(NC[C@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1)c1ccc(F)c(F)c1 ZINC000299778762 568874740 /nfs/dbraw/zinc/87/47/40/568874740.db2.gz QOVQKJABTNPBRT-KRWDZBQOSA-N 1 0 407.461 1.939 50 0 HDAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccccc1O ZINC000299778818 568874790 /nfs/dbraw/zinc/87/47/90/568874790.db2.gz OOIKQUHRJYUJHT-SFHVURJKSA-N 1 0 401.507 1.471 50 0 HDAARO Cc1nc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c(C)s1 ZINC000299786026 568875403 /nfs/dbraw/zinc/87/54/03/568875403.db2.gz OZNIOGDGOQLSSK-SFHVURJKSA-N 1 0 420.579 1.839 50 0 HDAARO Cc1ccc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cn1 ZINC000299793380 568876068 /nfs/dbraw/zinc/87/60/68/568876068.db2.gz GDLPQZVJHKRFPG-FQEVSTJZSA-N 1 0 400.523 1.469 50 0 HDAARO COc1ncccc1C(=O)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299797749 568876485 /nfs/dbraw/zinc/87/64/85/568876485.db2.gz QFTKMZYXTUEQJP-SFHVURJKSA-N 1 0 416.522 1.169 50 0 HDAARO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccccc1-n1cnnc1 ZINC000670441529 568895220 /nfs/dbraw/zinc/89/52/20/568895220.db2.gz XKMSRQRJIPYTHB-NBTXJNEHSA-N 1 0 414.513 1.565 50 0 HDAARO COc1ccc(CN2CCNC(=O)C2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012714288 568917707 /nfs/dbraw/zinc/91/77/07/568917707.db2.gz SJWMYCXURMHJRA-FQEVSTJZSA-N 1 0 413.518 1.499 50 0 HDAARO O=C(CN(C[C@@H]1CCCO1)C(=O)c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000015864086 568942082 /nfs/dbraw/zinc/94/20/82/568942082.db2.gz VYTXBONNGODKJA-INIZCTEOSA-N 1 0 410.312 1.502 50 0 HDAARO NC(=O)COc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000670465043 568968249 /nfs/dbraw/zinc/96/82/49/568968249.db2.gz FOTYYMMTAQXNEQ-SFHVURJKSA-N 1 0 417.531 1.709 50 0 HDAARO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1cc(-c2ccccn2)n[nH]1 ZINC000670465078 568968524 /nfs/dbraw/zinc/96/85/24/568968524.db2.gz YOJMRBSYEKLOBQ-XAHYOPIXSA-N 1 0 414.513 1.769 50 0 HDAARO O=C(c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CC[NH2+]CC1 ZINC000026422113 569031777 /nfs/dbraw/zinc/03/17/77/569031777.db2.gz CNJSILKAONZCJB-KRWDZBQOSA-N 1 0 407.474 1.363 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)CCCn2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000035372392 569033903 /nfs/dbraw/zinc/03/39/03/569033903.db2.gz GVQMUPRSUHBKDJ-UHFFFAOYSA-N 1 0 424.549 1.422 50 0 HDAARO CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCCC[NH+]1CCCC1)C(=O)CO2 ZINC000035377124 569034426 /nfs/dbraw/zinc/03/44/26/569034426.db2.gz NUHMBECUPWQWSS-UHFFFAOYSA-N 1 0 416.522 1.496 50 0 HDAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C)[NH2+][C@]32c3ccccc3NC2=O)cc1 ZINC000245254594 569055443 /nfs/dbraw/zinc/05/54/43/569055443.db2.gz APSOXGPIXXHVNR-ZNMQCXFDSA-N 1 0 404.426 1.590 50 0 HDAARO C[NH+]1CCN(Cc2cccc(C(=O)Nc3ccc(C(=O)NCCCO)cc3)c2)CC1 ZINC000089382721 569058879 /nfs/dbraw/zinc/05/88/79/569058879.db2.gz SRKHPGPIXLTMJU-UHFFFAOYSA-N 1 0 410.518 1.799 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@H]1c1ccc(OC)cc1 ZINC000035991540 569074575 /nfs/dbraw/zinc/07/45/75/569074575.db2.gz VINWKVYCGDQCRV-FQEVSTJZSA-N 1 0 416.522 1.846 50 0 HDAARO CCOC(=O)c1cccc(NC(=O)c2cnn3c2n(CC)c2c(c3=O)C[NH2+]CC2)c1 ZINC000064966220 569137427 /nfs/dbraw/zinc/13/74/27/569137427.db2.gz KKYNAGOXIKZHOG-UHFFFAOYSA-N 1 0 409.446 1.591 50 0 HDAARO Cn1c(=O)c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nn(-c2ccc(F)cc2)c1=O ZINC000064966981 569137562 /nfs/dbraw/zinc/13/75/62/569137562.db2.gz MHMPCSNVMNVMRI-UHFFFAOYSA-N 1 0 415.469 1.161 50 0 HDAARO Cc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N(C)C)c2)cc1 ZINC000065025172 569156166 /nfs/dbraw/zinc/15/61/66/569156166.db2.gz ZCLNBAWSBZUVJX-UHFFFAOYSA-N 1 0 403.508 1.302 50 0 HDAARO COc1cccc(Cn2nnc3cc(C(=O)NCCN4CC[NH+](C)CC4)ccc32)c1 ZINC000065030409 569157130 /nfs/dbraw/zinc/15/71/30/569157130.db2.gz JRYRMWVWPCVLMQ-UHFFFAOYSA-N 1 0 408.506 1.465 50 0 HDAARO CC[NH+]1CCN(c2ccc(CNC(=O)CCNC(=O)c3ccsc3)cn2)CC1 ZINC000036394828 569168486 /nfs/dbraw/zinc/16/84/86/569168486.db2.gz ROGDAAWMBNZZJA-UHFFFAOYSA-N 1 0 401.536 1.721 50 0 HDAARO CN(C)S(=O)(=O)c1ccc(-c2nnc(C(=O)NCCC[NH+]3CCCC3)o2)cc1 ZINC000065114002 569180968 /nfs/dbraw/zinc/18/09/68/569180968.db2.gz ZEIJNFGURWYVHW-UHFFFAOYSA-N 1 0 407.496 1.203 50 0 HDAARO CC(C)[NH+]1CCN(C(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)CC1 ZINC000065226736 569200073 /nfs/dbraw/zinc/20/00/73/569200073.db2.gz GRNBXDJGVJLFBD-UHFFFAOYSA-N 1 0 402.543 1.082 50 0 HDAARO Cn1ncc(N2CCC[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1=O ZINC000065313677 569222900 /nfs/dbraw/zinc/22/29/00/569222900.db2.gz FCPZNHFOQXKPOC-IBGZPJMESA-N 1 0 409.534 1.778 50 0 HDAARO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000065549770 569234817 /nfs/dbraw/zinc/23/48/17/569234817.db2.gz WXEUXHUPGQSLOO-AZUAARDMSA-N 1 0 411.506 1.914 50 0 HDAARO Cc1cc(=O)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)nn1-c1ccccc1 ZINC000014521109 569260388 /nfs/dbraw/zinc/26/03/88/569260388.db2.gz YNYXEXGJXRVMFD-UHFFFAOYSA-N 1 0 404.474 1.940 50 0 HDAARO COc1cc(C)c(S(=O)(=O)N2CCN(c3nc(N(C)C)cc(C)[nH+]3)CC2)cc1C ZINC000017010331 569271304 /nfs/dbraw/zinc/27/13/04/569271304.db2.gz BFZPBMFSHGTZLV-UHFFFAOYSA-N 1 0 419.551 1.987 50 0 HDAARO O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)NCCc2c[nH]cn2)CC1 ZINC000252430891 569285510 /nfs/dbraw/zinc/28/55/10/569285510.db2.gz QIIIERFXPQPNPZ-SAABIXHNSA-N 1 0 411.506 1.421 50 0 HDAARO CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)c1ccccc1N(CC[NH+]1CCCCC1)C2=O ZINC000002341644 569376383 /nfs/dbraw/zinc/37/63/83/569376383.db2.gz UVCUXCMRLMWIPM-HXUWFJFHSA-N 1 0 415.519 1.674 50 0 HDAARO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccn(-c3ccccc3Cl)n2)CC1=O ZINC000328591897 569415197 /nfs/dbraw/zinc/41/51/97/569415197.db2.gz QACGLPKMXMAEJR-HNNXBMFYSA-N 1 0 419.913 1.435 50 0 HDAARO Cc1ccc(C[N@H+]2CCCN(C(=O)CCn3cnc4c(cnn4C)c3=O)CC2)cc1 ZINC000040087007 571157638 /nfs/dbraw/zinc/15/76/38/571157638.db2.gz GYSWXJBMAQFFLG-UHFFFAOYSA-N 1 0 408.506 1.563 50 0 HDAARO COc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[NH+]4CCCC4)ncn3n2)cc1 ZINC000009727390 571282560 /nfs/dbraw/zinc/28/25/60/571282560.db2.gz UKMHEFAFMVKNKC-UHFFFAOYSA-N 1 0 410.478 1.169 50 0 HDAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCn4cnnn4)C3)C2)c1 ZINC000012468544 1074172752 /nfs/dbraw/zinc/17/27/52/1074172752.db2.gz UXAJZBLLPKLFCI-FQEVSTJZSA-N 1 0 402.474 1.726 50 0 HDAARO CC(C)[C@H](CNS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1)[NH+]1CCCC1 ZINC000820696225 1075647981 /nfs/dbraw/zinc/64/79/81/1075647981.db2.gz CMJROKIYEOOWLU-KRWDZBQOSA-N 1 0 418.585 1.304 50 0 HDAARO C[N@@H+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)[C@H](c2ccccc2)C1 ZINC000007016504 132322188 /nfs/dbraw/zinc/32/21/88/132322188.db2.gz IABFTIYQIXWOEY-IBGZPJMESA-N 1 0 402.520 1.596 50 0 HDAARO CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCCC[NH+]1CCCCC1)C(=O)CO2 ZINC000035376980 132801325 /nfs/dbraw/zinc/80/13/25/132801325.db2.gz YOPUDQQLVCZCOZ-UHFFFAOYSA-N 1 0 402.495 1.106 50 0 HDAARO CC(C)CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000045974674 519709743 /nfs/dbraw/zinc/70/97/43/519709743.db2.gz BATISAFMXHTLGG-UHFFFAOYSA-N 1 0 418.357 1.528 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@]21c2cc(Cl)ccc2NC1=O ZINC000020566827 520561613 /nfs/dbraw/zinc/56/16/13/520561613.db2.gz JMGRXNUWPIAMAC-BCEDRHLLSA-N 1 0 418.881 1.126 50 0 HDAARO CCOC(=O)c1c(C)[nH]c(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)c1C ZINC000032934778 521379481 /nfs/dbraw/zinc/37/94/81/521379481.db2.gz AYKNMGOREDEHJA-UHFFFAOYSA-N 1 0 404.511 1.625 50 0 HDAARO COc1ccccc1CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccs1 ZINC000045944066 524441236 /nfs/dbraw/zinc/44/12/36/524441236.db2.gz LTBCPWCNIVSCIN-UHFFFAOYSA-N 1 0 423.560 1.770 50 0 HDAARO COc1ccccc1[C@@H](CNC(=O)Cn1nc2n(c1=O)CCCCC2)[NH+]1CCCC1 ZINC000032779869 524732894 /nfs/dbraw/zinc/73/28/94/524732894.db2.gz HTODQZAVVNJGSC-GOSISDBHSA-N 1 0 413.522 1.733 50 0 HDAARO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H]2CCCO2)cc1C ZINC000045944357 525512624 /nfs/dbraw/zinc/51/26/24/525512624.db2.gz XDUVARJMFQNDJG-GOSISDBHSA-N 1 0 409.552 1.295 50 0 HDAARO O=C(CCN(C1CC1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000045944227 526474301 /nfs/dbraw/zinc/47/43/01/526474301.db2.gz KHHFZMJVQQUKNJ-UHFFFAOYSA-N 1 0 416.341 1.424 50 0 HDAARO O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000045974333 526698294 /nfs/dbraw/zinc/69/82/94/526698294.db2.gz SMAQHKDNUDARJS-UHFFFAOYSA-N 1 0 405.495 1.491 50 0 HDAARO NS(=O)(=O)c1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000032862484 527312448 /nfs/dbraw/zinc/31/24/48/527312448.db2.gz QJHSSCGHEJQBMU-UHFFFAOYSA-N 1 0 402.520 1.798 50 0 HDAARO CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000023318257 536106828 /nfs/dbraw/zinc/10/68/28/536106828.db2.gz PATURPNYRMAVCI-UHFFFAOYSA-N 1 0 417.535 1.014 50 0 HDAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000000852358 557101343 /nfs/dbraw/zinc/10/13/43/557101343.db2.gz BOVSQYFIDHBSEV-SFHVURJKSA-N 1 0 417.487 1.197 50 0 HDAARO CC(C)CNC(=O)c1coc(CN2CCN(C[C@H](O)C[NH+]3CCCCC3)CC2)n1 ZINC000034677038 557364111 /nfs/dbraw/zinc/36/41/11/557364111.db2.gz XLZIKGVDYIPUHB-GOSISDBHSA-N 1 0 407.559 1.025 50 0 HDAARO CCn1c(CCC(=O)NCC[NH+](CC)CC)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000022704314 557795662 /nfs/dbraw/zinc/79/56/62/557795662.db2.gz VRFIIIJTTAJVKS-UHFFFAOYSA-N 1 0 423.583 1.697 50 0 HDAARO COC[C@H](O)CNC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000012052550 558314605 /nfs/dbraw/zinc/31/46/05/558314605.db2.gz FTFLNOYLYOLGAE-JOCHJYFZSA-N 1 0 403.567 1.795 50 0 HDAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1ccc(-n2cnnn2)cc1 ZINC000012054062 558315101 /nfs/dbraw/zinc/31/51/01/558315101.db2.gz IOLNSIDUHNXLDZ-UHFFFAOYSA-N 1 0 411.554 1.931 50 0 HDAARO COc1cccc([C@@H](CNC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)[NH+]2CCCC2)c1 ZINC000022619146 558502932 /nfs/dbraw/zinc/50/29/32/558502932.db2.gz QXKZEFRDKLRGQX-HXUWFJFHSA-N 1 0 422.485 1.652 50 0 HDAARO COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000023095835 558534094 /nfs/dbraw/zinc/53/40/94/558534094.db2.gz YABHZRMACQNXDY-CYBMUJFWSA-N 1 0 408.524 1.263 50 0 HDAARO COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000013689493 558571848 /nfs/dbraw/zinc/57/18/48/558571848.db2.gz KOYZJCDKROWZSJ-UHFFFAOYSA-N 1 0 421.494 1.854 50 0 HDAARO O=C(CCN1C(=O)Cc2ccccc2C1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014125243 558623107 /nfs/dbraw/zinc/62/31/07/558623107.db2.gz SXJBGXHURIVHSH-UHFFFAOYSA-N 1 0 413.518 1.753 50 0 HDAARO Cc1c(Cl)cccc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](CCCC[NH3+])C(=O)N2C1 ZINC000014542497 558660641 /nfs/dbraw/zinc/66/06/41/558660641.db2.gz MEFLIUGCLYKXTM-RCBQFDQVSA-N 1 0 407.902 1.367 50 0 HDAARO O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H]([NH2+]Cc3ccc(Cl)s3)C[C@@H]12 ZINC000014747169 558669493 /nfs/dbraw/zinc/66/94/93/558669493.db2.gz ZGYPTCOGWJLETI-RCBQFDQVSA-N 1 0 405.907 1.907 50 0 HDAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+]([C@@H](C)COC)CC2 ZINC000014747340 558669523 /nfs/dbraw/zinc/66/95/23/558669523.db2.gz NVOHJUZLNGHJKA-KRWDZBQOSA-N 1 0 404.511 1.752 50 0 HDAARO COc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)CC(=O)NC(C)(C)C)CC2)cc1 ZINC000027281080 558671503 /nfs/dbraw/zinc/67/15/03/558671503.db2.gz HHZKYQFAJDKRSB-UHFFFAOYSA-N 1 0 404.555 1.576 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 ZINC000022937149 558678875 /nfs/dbraw/zinc/67/88/75/558678875.db2.gz JEFOPTJIBZAETR-KRWDZBQOSA-N 1 0 417.583 1.299 50 0 HDAARO CCOC(=O)N1CCC([N@H+]2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)CC1 ZINC000014983710 558692486 /nfs/dbraw/zinc/69/24/86/558692486.db2.gz AHLLFZFOVQSTLM-GOSISDBHSA-N 1 0 420.558 1.980 50 0 HDAARO CC(C)S(=O)(=O)[C@H](C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000072272922 558692979 /nfs/dbraw/zinc/69/29/79/558692979.db2.gz UYKBYZGXQFYMQQ-MRXNPFEDSA-N 1 0 401.573 1.039 50 0 HDAARO Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[nH+]1 ZINC000033318417 558766365 /nfs/dbraw/zinc/76/63/65/558766365.db2.gz XBPBVWYPIAIZSQ-UHFFFAOYSA-N 1 0 421.498 1.272 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@@]21c2cc(Cl)ccc2NC1=O ZINC000016024956 558768827 /nfs/dbraw/zinc/76/88/27/558768827.db2.gz JMGRXNUWPIAMAC-NEVJAFOQSA-N 1 0 418.881 1.126 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2CCCN(C(=O)c3[nH]c(C)c(C)c3C)C2)CC1 ZINC000035482198 558792853 /nfs/dbraw/zinc/79/28/53/558792853.db2.gz OGBADUOMAVKDGN-FQEVSTJZSA-N 1 0 417.598 1.936 50 0 HDAARO Cc1ccc(NC(=O)c2nnc(COCC(=O)NCC[NH+]3CCCC3)s2)cc1 ZINC000032987482 558807377 /nfs/dbraw/zinc/80/73/77/558807377.db2.gz XOMPZFUHZDTZSJ-UHFFFAOYSA-N 1 0 403.508 1.827 50 0 HDAARO COc1ccc(OC)c(S(=O)(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])c1 ZINC000049581927 558850553 /nfs/dbraw/zinc/85/05/53/558850553.db2.gz XDKXOJBTCIHJIK-GXTWGEPZSA-N 1 0 400.497 1.672 50 0 HDAARO Cc1c(C(=O)NCCCN2CCCC2=O)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048250 558884997 /nfs/dbraw/zinc/88/49/97/558884997.db2.gz CHSMXVGOPMKMFC-UHFFFAOYSA-N 1 0 416.551 1.494 50 0 HDAARO C[NH+]1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 ZINC000033131264 558887684 /nfs/dbraw/zinc/88/76/84/558887684.db2.gz CNAITTNHKZJUTE-UHFFFAOYSA-N 1 0 414.959 1.102 50 0 HDAARO CC1CCN(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CC1 ZINC000004677036 558889367 /nfs/dbraw/zinc/88/93/67/558889367.db2.gz GJPADXVNCJRJPW-UHFFFAOYSA-N 1 0 400.589 1.277 50 0 HDAARO Cc1cnc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)nc1N ZINC000071385647 558897422 /nfs/dbraw/zinc/89/74/22/558897422.db2.gz NFZFFGGYQIAQKI-SFHVURJKSA-N 1 0 409.538 1.759 50 0 HDAARO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000058151904 558902500 /nfs/dbraw/zinc/90/25/00/558902500.db2.gz GEUNEENKXSVPSK-IRXDYDNUSA-N 1 0 412.556 1.920 50 0 HDAARO Cc1cnc(C)nc1N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071576204 558905419 /nfs/dbraw/zinc/90/54/19/558905419.db2.gz QWDFJESMQJFSDE-LJQANCHMSA-N 1 0 400.571 1.548 50 0 HDAARO O=C(COc1cccnc1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071613707 558905914 /nfs/dbraw/zinc/90/59/14/558905914.db2.gz PYYCUHDYWHRSDE-GOSISDBHSA-N 1 0 400.523 1.786 50 0 HDAARO CCn1c(=O)c(N2CCC(C(=O)NCCC[NH+](CC)CC)CC2)nc2cccnc21 ZINC000033258917 558925936 /nfs/dbraw/zinc/92/59/36/558925936.db2.gz LIUIBVPNPWZWOX-UHFFFAOYSA-N 1 0 414.554 1.876 50 0 HDAARO COc1ccc(NC(=O)c2nnc(C(=O)NCCCN3CC[NH+](C)CC3)s2)cc1 ZINC000033060158 558954388 /nfs/dbraw/zinc/95/43/88/558954388.db2.gz WWUAKRHVOGEAJR-UHFFFAOYSA-N 1 0 418.523 1.166 50 0 HDAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCc1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000033062705 558956233 /nfs/dbraw/zinc/95/62/33/558956233.db2.gz HYFASSUZEOEYEW-MRXNPFEDSA-N 1 0 420.535 1.967 50 0 HDAARO NC(=O)c1ccc(NC(=O)CC[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000072403980 558967491 /nfs/dbraw/zinc/96/74/91/558967491.db2.gz BRACVSDGDMGNTI-UHFFFAOYSA-N 1 0 410.474 1.661 50 0 HDAARO C[NH+]1CCC(Oc2ccc(CNC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000065363452 558974610 /nfs/dbraw/zinc/97/46/10/558974610.db2.gz MWSHHNGWDDFOKB-UHFFFAOYSA-N 1 0 409.552 1.447 50 0 HDAARO COc1cc(OC)cc(C(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)c1 ZINC000072434192 558979931 /nfs/dbraw/zinc/97/99/31/558979931.db2.gz HXUJSWAAKKJFFC-UHFFFAOYSA-N 1 0 401.467 1.481 50 0 HDAARO CNc1ncc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cn1 ZINC000067804382 558993197 /nfs/dbraw/zinc/99/31/97/558993197.db2.gz OPBGXKPSNNHSGK-MRXNPFEDSA-N 1 0 400.527 1.457 50 0 HDAARO CCCCN1CCN([C@@H](C(=O)N(C)C2CC[NH+](C)CC2)c2ccccc2)C(=O)C1=O ZINC000077376245 559002614 /nfs/dbraw/zinc/00/26/14/559002614.db2.gz LKVWTTXVMDYOIG-HXUWFJFHSA-N 1 0 414.550 1.751 50 0 HDAARO CCCCn1c(=O)c2c(nc3n(CCC[NH+]4CCOCC4)c(C)c(C)n32)n(C)c1=O ZINC000023114857 559012644 /nfs/dbraw/zinc/01/26/44/559012644.db2.gz QYWPOCLPJIRSBF-UHFFFAOYSA-N 1 0 416.526 1.289 50 0 HDAARO O=C([C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCNC(=O)CC1 ZINC000082120495 559039322 /nfs/dbraw/zinc/03/93/22/559039322.db2.gz CXZCUUORTAGNIW-OAQYLSRUSA-N 1 0 412.578 1.754 50 0 HDAARO Cn1ccnc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082125481 559039693 /nfs/dbraw/zinc/03/96/93/559039693.db2.gz QNVCIIUJSWWRTC-QGZVFWFLSA-N 1 0 410.522 1.448 50 0 HDAARO CCS(=O)(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082137301 559040323 /nfs/dbraw/zinc/04/03/23/559040323.db2.gz YJKGAAGPGXZEDH-LJQANCHMSA-N 1 0 407.580 1.871 50 0 HDAARO O=C(NCC[NH+]1CCCCC1)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000033315140 559055429 /nfs/dbraw/zinc/05/54/29/559055429.db2.gz OTBYAMSBUWKVMD-OAHLLOKOSA-N 1 0 406.556 1.483 50 0 HDAARO COCCn1c(=O)[nH]c2cc(C(=O)NCCC[NH+]3CCC(C)CC3)ccc2c1=O ZINC000004791391 559065699 /nfs/dbraw/zinc/06/56/99/559065699.db2.gz XCWWSUZVIMQFBM-UHFFFAOYSA-N 1 0 402.495 1.188 50 0 HDAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCC(CO)CC1 ZINC000091626338 559072656 /nfs/dbraw/zinc/07/26/56/559072656.db2.gz LFMRRHOKSAYGKQ-OAQYLSRUSA-N 1 0 400.567 1.989 50 0 HDAARO CN(C[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000050110102 559179144 /nfs/dbraw/zinc/17/91/44/559179144.db2.gz TXRNBNBHXZNNLE-IEBWSBKVSA-N 1 0 408.568 1.240 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C(C)C)[NH2+][C@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000248152713 559265570 /nfs/dbraw/zinc/26/55/70/559265570.db2.gz CDIXBQRWOTYOAO-QOIOWGMHSA-N 1 0 405.882 1.753 50 0 HDAARO CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(CC[NH+]3CCOCC3)CC1)C2=O ZINC000062580131 559272915 /nfs/dbraw/zinc/27/29/15/559272915.db2.gz RSRSUJVKFFPTBK-UHFFFAOYSA-N 1 0 420.554 1.448 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000005346379 560570315 /nfs/dbraw/zinc/57/03/15/560570315.db2.gz IXFIEDYTXCYCOX-GXNBUGAJSA-N 1 0 405.882 1.753 50 0 HDAARO CC(C)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000005451293 560590293 /nfs/dbraw/zinc/59/02/93/560590293.db2.gz YGYFNRTYOSATIZ-IQEJQGIXSA-N 1 0 415.465 1.771 50 0 HDAARO CCOc1ccc(C(=O)N2CCN(c3nc(N4CCN(C)CC4)cc(C)[nH+]3)CC2)cc1 ZINC000017307334 560707578 /nfs/dbraw/zinc/70/75/78/560707578.db2.gz UDJNPOXBXWQYBG-UHFFFAOYSA-N 1 0 424.549 1.898 50 0 HDAARO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)cn2)CC1 ZINC000048248934 568433397 /nfs/dbraw/zinc/43/33/97/568433397.db2.gz ZGBLHDQPBSDOFA-OXJNMPFZSA-N 1 0 403.552 1.294 50 0 HDAARO C[NH+](C)CCNC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21 ZINC000012233348 568454598 /nfs/dbraw/zinc/45/45/98/568454598.db2.gz YEROMHOTEVXPPM-AWEZNQCLSA-N 1 0 416.482 1.436 50 0 HDAARO CC(C)N1C(=O)C[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1=O ZINC000095940833 568456192 /nfs/dbraw/zinc/45/61/92/568456192.db2.gz ZUAMUCMSBCOTQX-GUYCJALGSA-N 1 0 400.479 1.878 50 0 HDAARO COc1ccc(CN2CCCn3nc([C@@H](O)CO)cc3C2)cc1C[NH+]1CCCC1 ZINC000221420241 568509909 /nfs/dbraw/zinc/50/99/09/568509909.db2.gz XGQKREBKOLWPGV-NRFANRHFSA-N 1 0 400.523 1.919 50 0 HDAARO O=C(c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CC[NH2+]CC1 ZINC000026422115 568548119 /nfs/dbraw/zinc/54/81/19/568548119.db2.gz CNJSILKAONZCJB-QGZVFWFLSA-N 1 0 407.474 1.363 50 0 HDAARO CCCCCn1c(=O)[nH]c2cc(C(=O)NCCCN3CC[NH+](C)CC3)ccc2c1=O ZINC000020116984 568589530 /nfs/dbraw/zinc/58/95/30/568589530.db2.gz QMVNCPXAAWLWQC-UHFFFAOYSA-N 1 0 415.538 1.247 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)CCCN2C(=O)COc3ccc(C)cc32)CC1 ZINC000020413246 568605726 /nfs/dbraw/zinc/60/57/26/568605726.db2.gz DVYIELPSSVJAMV-UHFFFAOYSA-N 1 0 402.539 1.644 50 0 HDAARO CC(=O)N1CCN(Cc2cc(N3CCN(c4nc(C)cs4)CC3)cc[nH+]2)CC1 ZINC000095455270 568616783 /nfs/dbraw/zinc/61/67/83/568616783.db2.gz BQJHUXIVDYWMEE-UHFFFAOYSA-N 1 0 400.552 1.837 50 0 HDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2ccccc2)c2ccc3c(c2)OCO3)CC1 ZINC000020614331 568637912 /nfs/dbraw/zinc/63/79/12/568637912.db2.gz BKWOHSZCKIURBO-GOSISDBHSA-N 1 0 410.474 1.459 50 0 HDAARO CCC[NH+]1CCN(CCCNC(=O)CN2N=C(c3ccc(C)cc3)CCC2=O)CC1 ZINC000020723599 568640549 /nfs/dbraw/zinc/64/05/49/568640549.db2.gz RHUQIDWCLFAFCY-UHFFFAOYSA-N 1 0 413.566 1.855 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)Cn2nc(-n3cccc3)c3c2nc(C)cc3C)CC1 ZINC000020992696 568655990 /nfs/dbraw/zinc/65/59/90/568655990.db2.gz CILFCBQUYVHRKN-UHFFFAOYSA-N 1 0 409.538 1.593 50 0 HDAARO CCCC[N@H+](CC)CCNC(=O)[C@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000021148468 568672125 /nfs/dbraw/zinc/67/21/25/568672125.db2.gz JRLKKIYUWWAELG-INIZCTEOSA-N 1 0 420.583 1.914 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000096231406 568707334 /nfs/dbraw/zinc/70/73/34/568707334.db2.gz FDYKSRFLVHUALH-HKUYNNGSSA-N 1 0 416.522 1.539 50 0 HDAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(CN2CC(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000021527203 568709556 /nfs/dbraw/zinc/70/95/56/568709556.db2.gz BNSCCVOCRQNKDM-HXUWFJFHSA-N 1 0 412.534 1.626 50 0 HDAARO CCn1c2ccccc2n(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1=O ZINC000022411263 568767848 /nfs/dbraw/zinc/76/78/48/568767848.db2.gz MGUIAIYSDRHPMH-UHFFFAOYSA-N 1 0 400.523 1.974 50 0 HDAARO O=C(NCCC[NH+]1CCCC1)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000002959087 568829994 /nfs/dbraw/zinc/82/99/94/568829994.db2.gz GPIVKNLQMSYUTK-SJORKVTESA-N 1 0 422.576 1.583 50 0 HDAARO Cc1cn2c3c(nc2n1CCC[NH+](C)C)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000010233394 568843615 /nfs/dbraw/zinc/84/36/15/568843615.db2.gz BPFWUXOWNBYIPY-UHFFFAOYSA-N 1 0 412.469 1.597 50 0 HDAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccc(O)cc1 ZINC000299791541 568875887 /nfs/dbraw/zinc/87/58/87/568875887.db2.gz GOPAOQOGDLWTLZ-HXUWFJFHSA-N 1 0 401.507 1.471 50 0 HDAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCc2ncc[nH]2)CC1 ZINC000299791852 568876077 /nfs/dbraw/zinc/87/60/77/568876077.db2.gz GBHZADALCSPKJM-LJQANCHMSA-N 1 0 402.470 1.862 50 0 HDAARO Cc1nc(C)c(C(=O)NC[C@@H]2CN(C3CC[NH+](C4CCC4)CC3)C(=O)CO2)s1 ZINC000299795111 568876306 /nfs/dbraw/zinc/87/63/06/568876306.db2.gz KTGONXWMJBDKOC-QGZVFWFLSA-N 1 0 406.552 1.734 50 0 HDAARO Cc1cccnc1C(=O)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299797245 568876310 /nfs/dbraw/zinc/87/63/10/568876310.db2.gz QQKFUNBQZOLKOW-IBGZPJMESA-N 1 0 400.523 1.469 50 0 HDAARO CN(C)c1ccnc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299801051 568876760 /nfs/dbraw/zinc/87/67/60/568876760.db2.gz YBSIHWKGFKQUSX-GOSISDBHSA-N 1 0 402.543 1.304 50 0 HDAARO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1cccc2c1OCCO2 ZINC000670438472 568883794 /nfs/dbraw/zinc/88/37/94/568883794.db2.gz SZVUBWTYMIPFGW-XAHYOPIXSA-N 1 0 405.498 1.755 50 0 HDAARO Cc1cc(NC(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000084102008 568937678 /nfs/dbraw/zinc/93/76/78/568937678.db2.gz MADSUZUXPMRULE-QZTJIDSGSA-N 1 0 423.583 1.440 50 0 HDAARO CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](C[NH+]3CCCCC3)[C@H]1[C@@H]2O ZINC000004083175 568939363 /nfs/dbraw/zinc/93/93/63/568939363.db2.gz VHWHLUAIVKKCCK-ZYKGGLLFSA-N 1 0 409.523 1.350 50 0 biogenic HDAARO NC(=O)c1nn(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(=O)c2ccccc21 ZINC000012752864 568941576 /nfs/dbraw/zinc/94/15/76/568941576.db2.gz ZVJNWPOIHDIQJM-MRXNPFEDSA-N 1 0 409.446 1.042 50 0 HDAARO Cc1ccc(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CC(C)C)CC2)cc1 ZINC000004316439 568962216 /nfs/dbraw/zinc/96/22/16/568962216.db2.gz YWVYLXJBLZGGOS-UHFFFAOYSA-N 1 0 410.522 1.710 50 0 HDAARO Cn1nc2c(c1C(=O)N[C@@H]1C3CN4CC1(c1ccccc1)C[N@H+](C3)CC4)CCCC2 ZINC000670465160 568968809 /nfs/dbraw/zinc/96/88/09/568968809.db2.gz YNGGXARKFGJKBE-XAHYOPIXSA-N 1 0 405.546 1.596 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)nc2sc(N3CCC(C)CC3)nn21 ZINC000015861441 569015582 /nfs/dbraw/zinc/01/55/82/569015582.db2.gz GRYNMDQSHWEDNQ-CQSZACIVSA-N 1 0 404.540 1.601 50 0 HDAARO CCCCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000015864272 569016478 /nfs/dbraw/zinc/01/64/78/569016478.db2.gz XPYOELARMMTRMN-UHFFFAOYSA-N 1 0 418.357 1.672 50 0 HDAARO CS(=O)(=O)NC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000012914303 569022136 /nfs/dbraw/zinc/02/21/36/569022136.db2.gz RCAVOTQEDVKXIM-UHFFFAOYSA-N 1 0 422.320 1.930 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035991650 569074724 /nfs/dbraw/zinc/07/47/24/569074724.db2.gz QPVIEOBFURDSRQ-IBGZPJMESA-N 1 0 404.486 1.977 50 0 HDAARO Cc1ccc(-n2nc(C(=O)NCC[NH+](C)C)c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000036086506 569087747 /nfs/dbraw/zinc/08/77/47/569087747.db2.gz SHAQILSNMMBERI-UHFFFAOYSA-N 1 0 407.474 1.042 50 0 HDAARO Cc1ccc(-n2nc(C(=O)NCC[NH+](C)C)c(=O)n(Cc3ccccc3)c2=O)cc1C ZINC000036086254 569087834 /nfs/dbraw/zinc/08/78/34/569087834.db2.gz NDSVTIUOHHJWSC-UHFFFAOYSA-N 1 0 421.501 1.351 50 0 HDAARO CC[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787494 569094270 /nfs/dbraw/zinc/09/42/70/569094270.db2.gz SZVCVXXCSUQHSQ-IBGZPJMESA-N 1 0 424.549 1.593 50 0 HDAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)C1 ZINC000006798734 569125881 /nfs/dbraw/zinc/12/58/81/569125881.db2.gz OQPZTURIEZBWBU-HUUCEWRRSA-N 1 0 408.572 1.585 50 0 HDAARO Cn1c2sc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2c(=O)n(C)c1=O ZINC000064950377 569129369 /nfs/dbraw/zinc/12/93/69/569129369.db2.gz CSECWEJTCTYOOX-UHFFFAOYSA-N 1 0 412.515 1.693 50 0 HDAARO O=C(CN1C(=O)COc2ccc(C(=O)NCCC[NH+]3CCCC3)cc21)N1CCCC1 ZINC000064956691 569133425 /nfs/dbraw/zinc/13/34/25/569133425.db2.gz MKSXHZWVYAOPKY-UHFFFAOYSA-N 1 0 414.506 1.250 50 0 HDAARO Cc1noc2ncn(CC(=O)NCCCN3CC[NH+](C4CCCCC4)CC3)c(=O)c12 ZINC000064960571 569135587 /nfs/dbraw/zinc/13/55/87/569135587.db2.gz JJUMPVHZIRQYKT-UHFFFAOYSA-N 1 0 416.526 1.150 50 0 HDAARO C[NH+](C)CCNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000006901488 569177661 /nfs/dbraw/zinc/17/76/61/569177661.db2.gz YZJYGTOHMSYPGX-UHFFFAOYSA-N 1 0 406.552 1.884 50 0 HDAARO Cc1ccc(S(=O)(=O)CCc2noc(C(=O)NCCC[NH+]3CCCC3)n2)cc1 ZINC000065117363 569180230 /nfs/dbraw/zinc/18/02/30/569180230.db2.gz AOUCDGNSGJTXEY-UHFFFAOYSA-N 1 0 406.508 1.610 50 0 HDAARO CC[NH+](CC)CCNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1 ZINC000065117622 569180481 /nfs/dbraw/zinc/18/04/81/569180481.db2.gz XKPTUVXTLZOFJV-UHFFFAOYSA-N 1 0 410.496 1.166 50 0 HDAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000065114007 569180895 /nfs/dbraw/zinc/18/08/95/569180895.db2.gz OLJHWXFWVCGWSQ-CQSZACIVSA-N 1 0 421.523 1.591 50 0 HDAARO CCNc1cc(N2CCC(CCC(=O)NCCN3CC[NH+](C)CC3)CC2)ncn1 ZINC000065274264 569215107 /nfs/dbraw/zinc/21/51/07/569215107.db2.gz RRNXMWDLQDUDMQ-UHFFFAOYSA-N 1 0 403.575 1.269 50 0 HDAARO Cc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2CC(=O)NCC[NH+]1CCCCCC1 ZINC000065306821 569220817 /nfs/dbraw/zinc/22/08/17/569220817.db2.gz NTRXONQSUZUVEB-HXUWFJFHSA-N 1 0 412.534 1.938 50 0 HDAARO O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000007406495 569236951 /nfs/dbraw/zinc/23/69/51/569236951.db2.gz LKOJXEHBHSHEFR-QZTJIDSGSA-N 1 0 405.539 1.703 50 0 HDAARO Cc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)cc1 ZINC000017050802 569272548 /nfs/dbraw/zinc/27/25/48/569272548.db2.gz CCEKSYOWUADAKF-UHFFFAOYSA-N 1 0 417.535 1.441 50 0 HDAARO CC(=O)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)COc4ccccc4)CC3)C2)CC1 ZINC000581820180 569321132 /nfs/dbraw/zinc/32/11/32/569321132.db2.gz WPXSWTOAZTZERF-HXUWFJFHSA-N 1 0 415.534 1.770 50 0 HDAARO CCCCN(C(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013063286 569408309 /nfs/dbraw/zinc/40/83/09/569408309.db2.gz VNGKTJXTJZKENP-IYBDPMFKSA-N 1 0 407.559 1.886 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000067287687 571065761 /nfs/dbraw/zinc/06/57/61/571065761.db2.gz CNGOSRARIPZKNX-LJQANCHMSA-N 1 0 402.495 1.504 50 0 HDAARO Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670473468 571101970 /nfs/dbraw/zinc/10/19/70/571101970.db2.gz ZVZVLQUUBYODFJ-PAHOBDAQSA-N 1 0 407.562 1.653 50 0 HDAARO O=C(NCCN1CCOCC1)C(=O)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008893144 571142717 /nfs/dbraw/zinc/14/27/17/571142717.db2.gz WBYQRSQKHNJQAG-GOSISDBHSA-N 1 0 408.568 1.230 50 0 HDAARO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000040089246 571159100 /nfs/dbraw/zinc/15/91/00/571159100.db2.gz JFSBIRDPXPFFNY-KRWDZBQOSA-N 1 0 404.898 1.911 50 0 HDAARO O=C(CNC(=O)c1ccc(Br)o1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000009060184 571217184 /nfs/dbraw/zinc/21/71/84/571217184.db2.gz QPNFUBHHVNWWIC-UHFFFAOYSA-N 1 0 422.283 1.159 50 0 HDAARO CCc1ccc(-c2cc3c(=O)n(CC(=O)NCC[NH+]4CCCC4)nc(C)n3n2)cc1 ZINC000009287470 571245244 /nfs/dbraw/zinc/24/52/44/571245244.db2.gz YWUOCWCIJKZJRW-UHFFFAOYSA-N 1 0 408.506 1.641 50 0 HDAARO CCc1ccc(-c2cc3c(=O)n(CC(=O)NCC[NH+](CC)CC)nc(C)n3n2)cc1 ZINC000009727705 571282522 /nfs/dbraw/zinc/28/25/22/571282522.db2.gz ASSIGHXPLAJYDS-UHFFFAOYSA-N 1 0 410.522 1.887 50 0 HDAARO CC(C)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1cnn(-c2ccc(F)cc2)c1 ZINC000012432617 1073950490 /nfs/dbraw/zinc/95/04/90/1073950490.db2.gz IQYRXEZRIFZTKV-LJQANCHMSA-N 1 0 401.486 1.864 50 0 HDAARO COc1ccccc1N1CC[NH+](CCCN2CC(=O)N3CCCC[C@H]3C2=O)CC1 ZINC000004398210 132276461 /nfs/dbraw/zinc/27/64/61/132276461.db2.gz SCDJWHCTLZJPMP-IBGZPJMESA-N 1 0 400.523 1.431 50 0 HDAARO C[N@@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@H]2C1 ZINC000009111488 132335959 /nfs/dbraw/zinc/33/59/59/132335959.db2.gz GAPJEHCZNLQGOM-QRWLVFNGSA-N 1 0 404.898 1.880 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000009420228 132339508 /nfs/dbraw/zinc/33/95/08/132339508.db2.gz ACZNHZTZLMVFJR-MSOLQXFVSA-N 1 0 422.489 1.313 50 0 HDAARO O=C(CN1C(=O)c2ccccc2C1=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000011853374 132351466 /nfs/dbraw/zinc/35/14/66/132351466.db2.gz XEPIXELWFCZVMC-UHFFFAOYSA-N 1 0 406.486 1.611 50 0 HDAARO CC1(C)CC(Nc2ccc3nnc(CCC(=O)N4CCOCC4)n3n2)CC(C)(C)[NH2+]1 ZINC000032073913 520288759 /nfs/dbraw/zinc/28/87/59/520288759.db2.gz VYRHKYSYXGIRPJ-UHFFFAOYSA-N 1 0 415.542 1.637 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@]21c2cc(Cl)ccc2NC1=O ZINC000020566829 520562674 /nfs/dbraw/zinc/56/26/74/520562674.db2.gz JMGRXNUWPIAMAC-NCLAMWEWSA-N 1 0 418.881 1.126 50 0 HDAARO CC[NH+]1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1 ZINC000020566807 521689831 /nfs/dbraw/zinc/68/98/31/521689831.db2.gz FNPDSNHHXCPCDP-UHFFFAOYSA-N 1 0 410.522 1.194 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000020567192 523292909 /nfs/dbraw/zinc/29/29/09/523292909.db2.gz CDIXBQRWOTYOAO-ZFCANOHDSA-N 1 0 405.882 1.753 50 0 HDAARO C[NH+]1CCN(CCCNC(=O)c2csc(NC(=O)c3ccccc3F)n2)CC1 ZINC000040356013 523899831 /nfs/dbraw/zinc/89/98/31/523899831.db2.gz NPHCEWCEYRBAHB-UHFFFAOYSA-N 1 0 405.499 1.902 50 0 HDAARO COc1ccc(CCN2C[C@@H](C(=O)N3CC[NH+](C(C)C)CC3)CC2=O)cc1OC ZINC000045427527 523951382 /nfs/dbraw/zinc/95/13/82/523951382.db2.gz UKRFQDMJDDBCDA-SFHVURJKSA-N 1 0 403.523 1.647 50 0 HDAARO COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022766378 524583489 /nfs/dbraw/zinc/58/34/89/524583489.db2.gz AVJQEUWBYUTGNW-KRWDZBQOSA-N 1 0 402.520 1.800 50 0 HDAARO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H]2CCCO2)c(C)c1 ZINC000045944352 525510341 /nfs/dbraw/zinc/51/03/41/525510341.db2.gz GYOKCJVQNGVHAZ-GOSISDBHSA-N 1 0 409.552 1.295 50 0 HDAARO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H]2CCCO2)cc1C ZINC000045944354 525510985 /nfs/dbraw/zinc/51/09/85/525510985.db2.gz XDUVARJMFQNDJG-SFHVURJKSA-N 1 0 409.552 1.295 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000009303002 535502593 /nfs/dbraw/zinc/50/25/93/535502593.db2.gz SSORFDQKYNLYPR-IRXDYDNUSA-N 1 0 408.462 1.005 50 0 HDAARO CC[NH+](CC)CCN1c2ccccc2[C@]2(SC(NC(C)=O)=NN2C(C)=O)C1=O ZINC000004721745 557586500 /nfs/dbraw/zinc/58/65/00/557586500.db2.gz UIFCWBVUFXVVAH-IBGZPJMESA-N 1 0 403.508 1.530 50 0 HDAARO CCOC(=O)C1CC[NH+](Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)CC1 ZINC000011813897 558278248 /nfs/dbraw/zinc/27/82/48/558278248.db2.gz DXUVCECOKZYWPV-HXUWFJFHSA-N 1 0 406.523 1.534 50 0 HDAARO O=C([C@H]1CCC(=O)N(CCCN2CCCC2=O)C1)N1CC[NH+](CC2CCCC2)CC1 ZINC000019770637 558279366 /nfs/dbraw/zinc/27/93/66/558279366.db2.gz FDLZATUNHVNVQB-FQEVSTJZSA-N 1 0 418.582 1.572 50 0 HDAARO CCOC(=O)c1nn(CC[NH+](C)C)c2c1CN(Cc1ccc(C(=O)OC)cc1)CC2 ZINC000020212498 558347791 /nfs/dbraw/zinc/34/77/91/558347791.db2.gz OLJIQRKAYOQSCU-UHFFFAOYSA-N 1 0 414.506 1.966 50 0 HDAARO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@@H+](Cc1ccccn1)CC2 ZINC000012211577 558354057 /nfs/dbraw/zinc/35/40/57/558354057.db2.gz IDJMOAOZXNYRKJ-UHFFFAOYSA-N 1 0 406.490 1.469 50 0 HDAARO CC[NH+](CC)CCNC(=O)CCc1nc2c(C)nn(-c3ccccc3)c2n(C)c1=O ZINC000021640784 558444326 /nfs/dbraw/zinc/44/43/26/558444326.db2.gz VRSFSWRQAVTATA-UHFFFAOYSA-N 1 0 410.522 1.818 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000013572664 558542679 /nfs/dbraw/zinc/54/26/79/558542679.db2.gz GJGPTLOXECCNTI-CUYVQJCZSA-N 1 0 423.922 1.460 50 0 HDAARO CN1CC[NH+]([C@@H]2CCN(Cc3cnc(-c4ccc(Cl)cc4)nc3)C[C@H]2O)CC1 ZINC000023374702 558554452 /nfs/dbraw/zinc/55/44/52/558554452.db2.gz XAFWSGFRKJGWCP-WOJBJXKFSA-N 1 0 401.942 1.980 50 0 HDAARO COc1cc(CN2CC[NH+](CC3CC3)CC2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000023375490 558554939 /nfs/dbraw/zinc/55/49/39/558554939.db2.gz JOVGEHZTQFGLRZ-OAQYLSRUSA-N 1 0 419.566 1.295 50 0 HDAARO COCCN1C(=O)N(C)C(=O)C12CC[NH+](C[C@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000014740575 558666666 /nfs/dbraw/zinc/66/66/66/558666666.db2.gz WNHVTACXKOLKQR-MRXNPFEDSA-N 1 0 417.506 1.969 50 0 HDAARO Cc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CCCC[NH3+])C(=O)N3C2)cc1Cl ZINC000014747907 558669777 /nfs/dbraw/zinc/66/97/77/558669777.db2.gz JHDUIFJMAGRGTQ-BPUTZDHNSA-N 1 0 407.902 1.367 50 0 HDAARO COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@H+](CC1CC1)CC2 ZINC000014881656 558676208 /nfs/dbraw/zinc/67/62/08/558676208.db2.gz YJVVYMSBJHTYFY-QGZVFWFLSA-N 1 0 417.506 1.293 50 0 HDAARO COc1cccc(C[NH2+]CCOc2ccccc2)c1OC[C@H](O)CN1CCOCC1 ZINC000014952622 558681443 /nfs/dbraw/zinc/68/14/43/558681443.db2.gz CHSJWGKHEWFOMS-HXUWFJFHSA-N 1 0 416.518 1.936 50 0 HDAARO CSCCC(=O)N1CCc2nnc([C@H](CC(C)C)NC(=O)C[NH+](C)C)n2CC1 ZINC000014969951 558687124 /nfs/dbraw/zinc/68/71/24/558687124.db2.gz AZXAXBDQCOKRDO-HNNXBMFYSA-N 1 0 410.588 1.181 50 0 HDAARO CC(C)S(=O)(=O)[C@@H](C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000072272921 558692843 /nfs/dbraw/zinc/69/28/43/558692843.db2.gz UYKBYZGXQFYMQQ-INIZCTEOSA-N 1 0 401.573 1.039 50 0 HDAARO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000015021671 558703307 /nfs/dbraw/zinc/70/33/07/558703307.db2.gz BIFWRLIMBVQLOC-NSNOHRKYSA-N 1 0 417.421 1.847 50 0 biogenic HDAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@@]21c2cccc(Cl)c2NC1=O ZINC000016022164 558767856 /nfs/dbraw/zinc/76/78/56/558767856.db2.gz VMUILMMGAYMIOF-KSSIEVFVSA-N 1 0 418.881 1.124 50 0 HDAARO COc1cccc(C[NH+]2CCC(CCO)CC2)c1OC[C@@H](O)CN1CCOCC1 ZINC000039379716 558820691 /nfs/dbraw/zinc/82/06/91/558820691.db2.gz SGUPQHRCOCGMJX-FQEVSTJZSA-N 1 0 408.539 1.362 50 0 HDAARO CC(=O)Nc1cccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)c1 ZINC000033032582 558856851 /nfs/dbraw/zinc/85/68/51/558856851.db2.gz MTOXKUOSOSFIDP-UHFFFAOYSA-N 1 0 412.465 1.858 50 0 HDAARO CCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cccc(OC)c2)c1 ZINC000033034180 558858203 /nfs/dbraw/zinc/85/82/03/558858203.db2.gz UXPCCXCWANQEMY-UHFFFAOYSA-N 1 0 418.519 1.655 50 0 HDAARO CCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000033034133 558858344 /nfs/dbraw/zinc/85/83/44/558858344.db2.gz PCHZEKBDEFHEQN-UHFFFAOYSA-N 1 0 418.519 1.655 50 0 HDAARO CC(=O)NCC(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055211742 558876308 /nfs/dbraw/zinc/87/63/08/558876308.db2.gz GAYKIBOTIYKBGK-GOSISDBHSA-N 1 0 412.456 1.955 50 0 HDAARO O=C(Cn1cnnn1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055342725 558879606 /nfs/dbraw/zinc/87/96/06/558879606.db2.gz LBHOSCVYPZJSTB-KRWDZBQOSA-N 1 0 423.443 1.505 50 0 HDAARO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000033131405 558887938 /nfs/dbraw/zinc/88/79/38/558887938.db2.gz YPRYXCGSGHPVND-UHFFFAOYSA-N 1 0 416.975 1.348 50 0 HDAARO Cc1cnc(C)nc1N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071576202 558905467 /nfs/dbraw/zinc/90/54/67/558905467.db2.gz QWDFJESMQJFSDE-IBGZPJMESA-N 1 0 400.571 1.548 50 0 HDAARO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000058166761 558907149 /nfs/dbraw/zinc/90/71/49/558907149.db2.gz DIRJZGJGAGRHPD-AZUAARDMSA-N 1 0 416.522 1.781 50 0 HDAARO CC(C)c1nc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)no1 ZINC000071747199 558908670 /nfs/dbraw/zinc/90/86/70/558908670.db2.gz HYARZGWTNUTCQT-MRXNPFEDSA-N 1 0 403.527 1.922 50 0 HDAARO COc1cccc(Cn2c(=O)[nH]c3cc(C(=O)NC4CC[NH2+]CC4)ccc3c2=O)c1 ZINC000072328608 558934569 /nfs/dbraw/zinc/93/45/69/558934569.db2.gz OGSABKSFJYFYFS-UHFFFAOYSA-N 1 0 408.458 1.229 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000033060431 558954793 /nfs/dbraw/zinc/95/47/93/558954793.db2.gz NGTNDETXLDJNBV-UHFFFAOYSA-N 1 0 402.524 1.466 50 0 HDAARO O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000021871462 558959901 /nfs/dbraw/zinc/95/99/01/558959901.db2.gz NZYYOQHJWVNPNZ-UHFFFAOYSA-N 1 0 412.538 1.796 50 0 HDAARO COc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)cc1 ZINC000064800407 558965978 /nfs/dbraw/zinc/96/59/78/558965978.db2.gz FFBGEQGPEHWWSH-UHFFFAOYSA-N 1 0 412.494 1.984 50 0 HDAARO CCNc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc(C)[nH+]1 ZINC000065364231 558975364 /nfs/dbraw/zinc/97/53/64/558975364.db2.gz UTCGDZQRWFYOKX-UHFFFAOYSA-N 1 0 419.507 1.499 50 0 HDAARO O=C1N(CCc2ccccc2)CCC[C@]1(O)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000067804806 558993212 /nfs/dbraw/zinc/99/32/12/558993212.db2.gz GWPTUYJGIZHFKC-QHCPKHFHSA-N 1 0 409.534 1.585 50 0 HDAARO CC[NH+]1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2cccnc2)CC1 ZINC000022457142 558995280 /nfs/dbraw/zinc/99/52/80/558995280.db2.gz NIVNYRFMAINJAZ-FQEVSTJZSA-N 1 0 413.497 1.332 50 0 HDAARO CC[NH+]1CCN(CCN2CC3(CCN(C(=O)c4cc(C)c[nH]4)CC3)OC2=O)CC1 ZINC000077426589 559004890 /nfs/dbraw/zinc/00/48/90/559004890.db2.gz OIHNTHNEMYOMDW-UHFFFAOYSA-N 1 0 403.527 1.388 50 0 HDAARO C[C@H]([NH3+])C(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccccc3)ccc2C1 ZINC000077541129 559008945 /nfs/dbraw/zinc/00/89/45/559008945.db2.gz LFXYGACWHKBYRN-HNNXBMFYSA-N 1 0 403.504 1.276 50 0 HDAARO Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN2CC[NH+](C)CC2)c2ccc(F)cc2)cc1 ZINC000023118696 559013435 /nfs/dbraw/zinc/01/34/35/559013435.db2.gz TUBSDEIHSYTZRD-FQEVSTJZSA-N 1 0 421.538 1.938 50 0 HDAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000082086704 559036817 /nfs/dbraw/zinc/03/68/17/559036817.db2.gz LCINHSVUOVRAPN-MRXNPFEDSA-N 1 0 406.552 1.366 50 0 HDAARO O=C(NCCN1CCOCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082099705 559038096 /nfs/dbraw/zinc/03/80/96/559038096.db2.gz LOCMCFNQGURIMS-OAQYLSRUSA-N 1 0 415.582 1.206 50 0 HDAARO CC(C)NC(=O)CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082121087 559039599 /nfs/dbraw/zinc/03/95/99/559039599.db2.gz ZVIJJXDKNJGUEJ-SFHVURJKSA-N 1 0 401.555 1.399 50 0 HDAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(CCN3CCCC3=O)CC2)C1 ZINC000082121852 559039641 /nfs/dbraw/zinc/03/96/41/559039641.db2.gz JJEOXYHNRPTMBK-LJQANCHMSA-N 1 0 413.566 1.497 50 0 HDAARO Cn1nccc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082127469 559040048 /nfs/dbraw/zinc/04/00/48/559040048.db2.gz IGPNENHWBRVIEJ-KRWDZBQOSA-N 1 0 410.522 1.448 50 0 HDAARO CNC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccc1OC ZINC000098087060 559065307 /nfs/dbraw/zinc/06/53/07/559065307.db2.gz RWVSCCQJHOUYRF-UHFFFAOYSA-N 1 0 418.519 1.607 50 0 HDAARO CC(C)(NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)C(N)=O ZINC000091462129 559071628 /nfs/dbraw/zinc/07/16/28/559071628.db2.gz ZZCPIQZYDMVLJW-LJQANCHMSA-N 1 0 412.578 1.710 50 0 HDAARO O=C(C[C@H]1COCC[NH2+]1)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 ZINC000091665690 559072923 /nfs/dbraw/zinc/07/29/23/559072923.db2.gz BRYZLVMXSKFERI-IBGZPJMESA-N 1 0 400.523 1.234 50 0 HDAARO O=C(CSc1nnnn1-c1ccc(O)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000014238833 559161499 /nfs/dbraw/zinc/16/14/99/559161499.db2.gz NWWJPQXAMURYEF-MRXNPFEDSA-N 1 0 410.503 1.851 50 0 HDAARO C[NH+](C)CCn1cnc2cc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)ccc21 ZINC000409413697 559250779 /nfs/dbraw/zinc/25/07/79/559250779.db2.gz RSTYGXDUMYJSLV-GOSISDBHSA-N 1 0 420.473 1.677 50 0 HDAARO CC1(C)CC(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccco5)C(=O)[C@@H]24)O3)CC(C)(C)[NH2+]1 ZINC000006760412 560634728 /nfs/dbraw/zinc/63/47/28/560634728.db2.gz RKFITMNYIQHZHA-OVCNXMPXSA-N 1 0 413.518 1.987 50 0 HDAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000018185859 560781934 /nfs/dbraw/zinc/78/19/34/560781934.db2.gz AKXGIINXSPDTMO-MRXNPFEDSA-N 1 0 404.492 1.420 50 0 HDAARO NC(=O)CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]12 ZINC000102894888 560833165 /nfs/dbraw/zinc/83/31/65/560833165.db2.gz BGFHNBDEZXDKTG-XCLQVSSVSA-N 1 0 422.416 1.016 50 0 HDAARO COc1ccc(OC[C@@H](O)C[N@H+](CCO)C[C@@H](O)Cn2ccc3ccccc32)cc1 ZINC000012080506 560889057 /nfs/dbraw/zinc/88/90/57/560889057.db2.gz RDLCNKMHHWWUDK-UXHICEINSA-N 1 0 414.502 1.745 50 0 HDAARO COc1cccc(C[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)n2nnnc2C)c1 ZINC000048299594 568437149 /nfs/dbraw/zinc/43/71/49/568437149.db2.gz JFUSYYOXRSEDNA-UXHICEINSA-N 1 0 416.526 1.247 50 0 HDAARO Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000049543636 568451162 /nfs/dbraw/zinc/45/11/62/568451162.db2.gz JOLWOGOITWIEIO-HKUYNNGSSA-N 1 0 423.517 1.970 50 0 biogenic HDAARO Cn1nnc(-c2ccc(NC(=O)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)n1 ZINC000049544775 568451278 /nfs/dbraw/zinc/45/12/78/568451278.db2.gz ZRKGHNYMMKGHPS-UHFFFAOYSA-N 1 0 419.489 1.596 50 0 HDAARO CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000049930679 568453691 /nfs/dbraw/zinc/45/36/91/568453691.db2.gz SDKNWCKGZRHARO-GOSISDBHSA-N 1 0 403.523 1.649 50 0 HDAARO CCn1cc(C(=O)NCCCN2CC[NH+](C)CC2)c2cc(OC)c(OC)cc2c1=O ZINC000020116471 568589521 /nfs/dbraw/zinc/58/95/21/568589521.db2.gz JSRHMHAGUAQTBC-UHFFFAOYSA-N 1 0 416.522 1.406 50 0 HDAARO Cn1c(=O)c2c(n(C)c1=O)NCN(CC1CC[NH+](Cc3ccc(Cl)cc3)CC1)C2 ZINC000020320235 568598752 /nfs/dbraw/zinc/59/87/52/568598752.db2.gz HUMYXGQACMSOHO-UHFFFAOYSA-N 1 0 417.941 1.835 50 0 HDAARO C[N@@H+]1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1 ZINC000095346235 568600081 /nfs/dbraw/zinc/60/00/81/568600081.db2.gz RZBBJXPUMQNBCQ-GBXCKJPGSA-N 1 0 418.497 1.671 50 0 HDAARO O=C(CN1CCn2nc(-c3ccc(Cl)cc3)cc2C1=O)NCC[NH+]1CCCC1 ZINC000021021538 568658398 /nfs/dbraw/zinc/65/83/98/568658398.db2.gz DRCMRLJDYMAZGE-UHFFFAOYSA-N 1 0 401.898 1.871 50 0 HDAARO C[NH+]1CCN(CCNC(=O)CCc2nnc3ccc(NCc4ccccc4)nn32)CC1 ZINC000021024012 568658618 /nfs/dbraw/zinc/65/86/18/568658618.db2.gz BUFYSBJUNZUGHL-UHFFFAOYSA-N 1 0 422.537 1.033 50 0 HDAARO COc1c(C)cc(S(=O)(=O)NC[C@H](c2cccn2C)N2CC[NH+](C)CC2)cc1C ZINC000021155208 568673231 /nfs/dbraw/zinc/67/32/31/568673231.db2.gz VTFHQZAXXNNGLP-HXUWFJFHSA-N 1 0 420.579 1.918 50 0 HDAARO O=C(Cc1ccc(Cl)cc1)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000096098699 568689855 /nfs/dbraw/zinc/68/98/55/568689855.db2.gz QHHSXGLUDKZZCZ-UHFFFAOYSA-N 1 0 401.898 1.858 50 0 HDAARO O=C(CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cccs1)N1CC[NH2+]CC1 ZINC000021534279 568711474 /nfs/dbraw/zinc/71/14/74/568711474.db2.gz PFIJOFRCRDZQBN-UHFFFAOYSA-N 1 0 411.524 1.900 50 0 HDAARO CCOC(=O)C1C(C[NH2+]CCN2CCOCC2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000096299608 568722740 /nfs/dbraw/zinc/72/27/40/568722740.db2.gz SVNFNMQDMIJRCH-HXUWFJFHSA-N 1 0 416.522 1.396 50 0 HDAARO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)C3CC[NH+](C)CC3)c2)C[C@H](C)O1 ZINC000003216006 568846849 /nfs/dbraw/zinc/84/68/49/568846849.db2.gz MMHFWSFOBJBQJU-IYBDPMFKSA-N 1 0 409.552 1.651 50 0 HDAARO O=C(CNC(=O)NCc1ccc(F)cc1)NC[C@H](c1cccs1)N1CCOCC1 ZINC000029933140 568852368 /nfs/dbraw/zinc/85/23/68/568852368.db2.gz IDCYFOVDVDRBJW-QGZVFWFLSA-N 1 0 420.510 1.876 50 0 HDAARO COc1cc(OC)cc(C(=O)NCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000012613838 568871835 /nfs/dbraw/zinc/87/18/35/568871835.db2.gz QTKCBFZOYATWHM-UHFFFAOYSA-N 1 0 413.478 1.219 50 0 HDAARO Cc1ccccc1[C@@]1(CC(=O)N2CCN(C)[C@H](C)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299758755 568873248 /nfs/dbraw/zinc/87/32/48/568873248.db2.gz OYBPZDYXTUJALO-WZONZLPQSA-N 1 0 414.550 1.106 50 0 HDAARO CC[N@H+](CCn1cccn1)Cc1ccc(OC[C@@H](O)CN2CCOCC2)c(OC)c1 ZINC000012717708 568918090 /nfs/dbraw/zinc/91/80/90/568918090.db2.gz ZZOXACJBEXDMGY-FQEVSTJZSA-N 1 0 418.538 1.486 50 0 HDAARO C[NH+](C)C1(CNc2ccc(S(C)(=O)=O)cc2S(N)(=O)=O)CCCCCC1 ZINC000083847881 568919611 /nfs/dbraw/zinc/91/96/11/568919611.db2.gz FSPSSSYDADSMEJ-UHFFFAOYSA-N 1 0 403.570 1.804 50 0 HDAARO O=C(NCc1sc2ccccc2c1Cl)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000670453931 568929187 /nfs/dbraw/zinc/92/91/87/568929187.db2.gz OHZYZSYCXMJOBR-UHFFFAOYSA-N 1 0 404.927 1.981 50 0 HDAARO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000084326011 568946269 /nfs/dbraw/zinc/94/62/69/568946269.db2.gz CWNDLROMJVRNJB-UHFFFAOYSA-N 1 0 403.527 1.733 50 0 HDAARO O=C(Cn1c(=O)oc2ccccc21)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670462974 568953290 /nfs/dbraw/zinc/95/32/90/568953290.db2.gz UWQDVROMTFPFPT-NZAVSEOKSA-N 1 0 418.497 1.278 50 0 HDAARO CCCCn1c(N2CC[NH+](Cc3ccc(C)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004316415 568962191 /nfs/dbraw/zinc/96/21/91/568962191.db2.gz RVFDEZCLEXXNLG-UHFFFAOYSA-N 1 0 410.522 1.854 50 0 HDAARO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000015672242 568962579 /nfs/dbraw/zinc/96/25/79/568962579.db2.gz ZEBFNEUYVXOSMS-MRXNPFEDSA-N 1 0 420.583 1.874 50 0 HDAARO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000007985797 568964525 /nfs/dbraw/zinc/96/45/25/568964525.db2.gz WHQSTGILLKJOJP-CVEARBPZSA-N 1 0 418.991 1.651 50 0 HDAARO O=C([C@H]1COc2cc(S(=O)(=O)NCC[NH+]3CCCC3)ccc2O1)N1CCCCC1 ZINC000015733728 568983345 /nfs/dbraw/zinc/98/33/45/568983345.db2.gz BYKCMVLJHJJYIV-LJQANCHMSA-N 1 0 423.535 1.213 50 0 HDAARO CCC[NH+]1CCN(C(=O)C2CCN(c3nnc(N4CCCC4=O)s3)CC2)CC1 ZINC000015777314 569000092 /nfs/dbraw/zinc/00/00/92/569000092.db2.gz UWTCKGUIGYXHRU-UHFFFAOYSA-N 1 0 406.556 1.436 50 0 HDAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000008427815 569002083 /nfs/dbraw/zinc/00/20/83/569002083.db2.gz RSBNJMVQISWVQT-CYBMUJFWSA-N 1 0 416.503 1.516 50 0 HDAARO COc1ccc([C@H](CNC(=O)Cn2cnc3c(cnn3C)c2=O)[NH+]2CCCC2)cc1 ZINC000012935314 569026535 /nfs/dbraw/zinc/02/65/35/569026535.db2.gz MURKHYKYOVCDOK-SFHVURJKSA-N 1 0 410.478 1.092 50 0 HDAARO C[NH+]1CCN(CCNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)CC1 ZINC000035401156 569035482 /nfs/dbraw/zinc/03/54/82/569035482.db2.gz NASARLWOYOUPNQ-UHFFFAOYSA-N 1 0 415.586 1.047 50 0 HDAARO C[NH+]1CCN(CCCNC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000035505254 569040871 /nfs/dbraw/zinc/04/08/71/569040871.db2.gz OBOXBMNDRCLRJA-MRXNPFEDSA-N 1 0 402.568 1.661 50 0 HDAARO Cc1ccccc1C[NH+]1CCN(CCCNC(=O)c2nc(-c3ccncn3)no2)CC1 ZINC000064459840 569063073 /nfs/dbraw/zinc/06/30/73/569063073.db2.gz YDIRDGZDYFEMAW-UHFFFAOYSA-N 1 0 421.505 1.773 50 0 HDAARO Cc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cc(=O)n5[nH]cnc5n4)C3)C2=O)c1 ZINC000426465103 569073083 /nfs/dbraw/zinc/07/30/83/569073083.db2.gz DZQJAYOLSFQEEQ-QFIPXVFZSA-N 1 0 406.490 1.741 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@@H]1c1ccccc1OC ZINC000035991065 569074583 /nfs/dbraw/zinc/07/45/83/569074583.db2.gz AGEBZFBEKSWRMB-HXUWFJFHSA-N 1 0 416.522 1.846 50 0 HDAARO Cc1cccc(-n2nc(C(=O)NCC[NH+](C)C)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036086812 569088198 /nfs/dbraw/zinc/08/81/98/569088198.db2.gz OLCQTCRHQFHIIC-UHFFFAOYSA-N 1 0 407.474 1.042 50 0 HDAARO CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH+]3CCCCCC3)C2)c1 ZINC000064958053 569134323 /nfs/dbraw/zinc/13/43/23/569134323.db2.gz NALVVANJWHGTDS-QGZVFWFLSA-N 1 0 411.572 1.296 50 0 HDAARO CCC(=O)N1[C@@H](C(=O)NCc2ccc3c(c2)OCO3)CSC12CC[NH+](C)CC2 ZINC000006943497 569186974 /nfs/dbraw/zinc/18/69/74/569186974.db2.gz FJPIDSTWEVCTCW-OAHLLOKOSA-N 1 0 405.520 1.807 50 0 HDAARO O=C(NCCC[NH+]1CCCC1)[C@H]1CCc2sc(C(=O)N3CCOCC3)cc2C1 ZINC000065272834 569215930 /nfs/dbraw/zinc/21/59/30/569215930.db2.gz LZGCWYJRWHGVIS-INIZCTEOSA-N 1 0 405.564 1.928 50 0 HDAARO CC[NH+](CC)CCn1c(-c2ccc(OC)cc2)cn2c1nc1c2c(=O)[nH]c(=O)n1C ZINC000170624346 569249353 /nfs/dbraw/zinc/24/93/53/569249353.db2.gz ZTNJOXLQWOLRRU-UHFFFAOYSA-N 1 0 410.478 1.693 50 0 HDAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1 ZINC000089983577 569271085 /nfs/dbraw/zinc/27/10/85/569271085.db2.gz KAKBRCAFPJBMSO-GOSISDBHSA-N 1 0 420.506 1.708 50 0 HDAARO COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H]([NH2+]Cc4cccc(OC)c4)CN3C2=O)cc1 ZINC000014732985 569271354 /nfs/dbraw/zinc/27/13/54/569271354.db2.gz OGIYBXQQTPHEPH-YYWHXJBOSA-N 1 0 409.486 1.504 50 0 HDAARO COc1ccc(S(=O)(=O)N2CCN(c3nc(N(C)C)cc(C)[nH+]3)CC2)cc1C ZINC000017011276 569271412 /nfs/dbraw/zinc/27/14/12/569271412.db2.gz USZORVWQUMOMDW-UHFFFAOYSA-N 1 0 405.524 1.679 50 0 HDAARO COCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CC[NH+](C(C)C)CC2)c1 ZINC000017113377 569274869 /nfs/dbraw/zinc/27/48/69/569274869.db2.gz MWOVQFVSHMFCPJ-UHFFFAOYSA-N 1 0 423.517 1.951 50 0 HDAARO COc1cccc(C(=O)NCCN2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)c1OC ZINC000252494509 569290728 /nfs/dbraw/zinc/29/07/28/569290728.db2.gz NXOONJPYHMGHQV-QGZVFWFLSA-N 1 0 423.554 1.227 50 0 HDAARO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000170645332 569292044 /nfs/dbraw/zinc/29/20/44/569292044.db2.gz BDEAKUSBFYUAKV-KRWDZBQOSA-N 1 0 404.536 1.657 50 0 HDAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)c4cnccn4)CC3)C2)CC1 ZINC000581820135 569320879 /nfs/dbraw/zinc/32/08/79/569320879.db2.gz UJBIRKXMEBLLCS-IBGZPJMESA-N 1 0 401.555 1.904 50 0 HDAARO Cn1nccc1C(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000581819846 569320913 /nfs/dbraw/zinc/32/09/13/569320913.db2.gz OONZXVWEQSQHBY-IBGZPJMESA-N 1 0 424.549 1.791 50 0 HDAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000067287940 571065468 /nfs/dbraw/zinc/06/54/68/571065468.db2.gz UAUTYSPLDQPKFU-IBGZPJMESA-N 1 0 402.495 1.504 50 0 HDAARO COc1ccc(CC(=O)NCCC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1 ZINC000008913908 571150332 /nfs/dbraw/zinc/15/03/32/571150332.db2.gz JAFDQKFYHZPFQN-UHFFFAOYSA-N 1 0 411.506 1.131 50 0 HDAARO COc1ccc(C[N@@H+]2CCCN(C(=O)CCn3cnc4c(cnn4C)c3=O)CC2)cc1 ZINC000040086989 571157560 /nfs/dbraw/zinc/15/75/60/571157560.db2.gz OKSFQITYCXHDLW-UHFFFAOYSA-N 1 0 424.505 1.263 50 0 HDAARO C[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008996982 571209113 /nfs/dbraw/zinc/20/91/13/571209113.db2.gz QTNJIPMMQJMMSU-CYBMUJFWSA-N 1 0 401.898 1.845 50 0 HDAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCNC(=O)c2ccnc3ccccc32)CC1 ZINC000245020874 571212163 /nfs/dbraw/zinc/21/21/63/571212163.db2.gz MLFCSTWGWZVLFW-SFHVURJKSA-N 1 0 414.550 1.758 50 0 HDAARO COc1ccc(-c2cc3c(=O)n(CC(=O)NCC[NH+]4CCCCCC4)ncn3n2)cc1 ZINC000009287267 571245239 /nfs/dbraw/zinc/24/52/39/571245239.db2.gz RDYJWRIIPXIOGJ-UHFFFAOYSA-N 1 0 424.505 1.559 50 0 HDAARO Cn1c(N)c(C(=O)C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)c(=O)n(C)c1=O ZINC000009530643 571266791 /nfs/dbraw/zinc/26/67/91/571266791.db2.gz QKJVZFHWSWDNGY-UHFFFAOYSA-N 1 0 402.470 1.823 50 0 HDAARO CC1=NN(CC[N@H+](C)Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000010108931 571295220 /nfs/dbraw/zinc/29/52/20/571295220.db2.gz WVQWXAFHYGFDFL-OAHLLOKOSA-N 1 0 409.494 1.323 50 0 HDAARO CC[NH+](CC)CCNc1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1C ZINC000010386261 571301731 /nfs/dbraw/zinc/30/17/31/571301731.db2.gz XABMVJVOKKMFQW-UHFFFAOYSA-N 1 0 418.929 1.889 50 0 HDAARO CCn1cc(C(=O)NCC[NH+](C)C)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 ZINC000001305300 132243777 /nfs/dbraw/zinc/24/37/77/132243777.db2.gz LFKQRBWNEGKGGZ-UHFFFAOYSA-N 1 0 403.502 1.204 50 0 HDAARO Cc1cc(C)cc(N2CCN(C(=O)C[C@@H]3C(=O)NCC[N@@H+]3C3CCCC3)CC2=O)c1 ZINC000011754258 132350177 /nfs/dbraw/zinc/35/01/77/132350177.db2.gz BSGDSZODAGBFCS-HXUWFJFHSA-N 1 0 412.534 1.612 50 0 HDAARO COC(=O)[C@H]1CCCCN1C(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000012191160 132356349 /nfs/dbraw/zinc/35/63/49/132356349.db2.gz VEWHAUMWYDIWMG-CQSZACIVSA-N 1 0 417.535 1.919 50 0 HDAARO CCOC(=O)CN(C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCC[N@H+](C)CC2)c1 ZINC000020541574 520745851 /nfs/dbraw/zinc/74/58/51/520745851.db2.gz FENLIYWRHUCVMO-IBGZPJMESA-N 1 0 423.554 1.067 50 0 HDAARO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C2CCCCC2)cc1 ZINC000045974574 521186574 /nfs/dbraw/zinc/18/65/74/521186574.db2.gz BBQDKSGPEAQRPI-UHFFFAOYSA-N 1 0 409.552 1.841 50 0 HDAARO CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCC(C)C)cc1 ZINC000045944286 521190793 /nfs/dbraw/zinc/19/07/93/521190793.db2.gz BUSDYTXOCMOMPI-UHFFFAOYSA-N 1 0 411.568 1.944 50 0 HDAARO CC[NH+]1CCN([C@@H](CNC(=O)C(=O)NCCc2ccccc2)c2cccnc2)CC1 ZINC000023203179 521691940 /nfs/dbraw/zinc/69/19/40/521691940.db2.gz NFTSVIIIYRQOEM-NRFANRHFSA-N 1 0 409.534 1.235 50 0 HDAARO C[NH+](C)CCNC(=O)CN1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(Cl)ccc32)CC1 ZINC000031815899 521776326 /nfs/dbraw/zinc/77/63/26/521776326.db2.gz ZJXNKVOVLJLUFT-IBGZPJMESA-N 1 0 421.929 1.242 50 0 HDAARO C[NH+](C)CCNC(=O)CN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(Cl)ccc32)CC1 ZINC000031815895 521778860 /nfs/dbraw/zinc/77/88/60/521778860.db2.gz ZJXNKVOVLJLUFT-LJQANCHMSA-N 1 0 421.929 1.242 50 0 HDAARO COc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1S(=O)(=O)NC1CC1 ZINC000032787983 523647162 /nfs/dbraw/zinc/64/71/62/523647162.db2.gz JLPDHAWKTIUXKT-UHFFFAOYSA-N 1 0 407.536 1.836 50 0 HDAARO CCc1ccc(S(=O)(=O)N(CCN2CCCCC2)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974784 524010903 /nfs/dbraw/zinc/01/09/03/524010903.db2.gz XBACBGSMAMNZLF-UHFFFAOYSA-N 1 0 422.595 1.157 50 0 HDAARO COc1ccc([C@H](CNC(=O)C(=O)N[C@H]2c3ccccc3N(C)C2=O)[NH+](C)C)cc1 ZINC000044920671 525355160 /nfs/dbraw/zinc/35/51/60/525355160.db2.gz LYCLZEOYWAJRTC-OALUTQOASA-N 1 0 410.474 1.248 50 0 HDAARO Cc1ccc(-c2nnc(SCC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)n2N)cc1 ZINC000032745203 525855504 /nfs/dbraw/zinc/85/55/04/525855504.db2.gz HVUXKYQMOGSYTK-QGZVFWFLSA-N 1 0 418.567 1.532 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CN2CCN(c3ccccc3)CC2)CC1 ZINC000030822983 526849339 /nfs/dbraw/zinc/84/93/39/526849339.db2.gz WAHXNRVEXLRGHC-UHFFFAOYSA-N 1 0 413.566 1.141 50 0 HDAARO NS(=O)(=O)c1ccc(CC[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)cc1 ZINC000032682396 527312726 /nfs/dbraw/zinc/31/27/26/527312726.db2.gz NRVORXLAHSLKTQ-NQIIRXRSSA-N 1 0 404.532 1.921 50 0 HDAARO C[NH+]1CCN(c2ccc(NC(=O)CNC(=O)c3cccc(OC(F)F)c3)cn2)CC1 ZINC000012756241 536423327 /nfs/dbraw/zinc/42/33/27/536423327.db2.gz GDIUHDHRTRECLG-UHFFFAOYSA-N 1 0 419.432 1.803 50 0 HDAARO CC[NH+](CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 ZINC000004136327 557518724 /nfs/dbraw/zinc/51/87/24/557518724.db2.gz DSZZMEGRVVUHFJ-UHFFFAOYSA-N 1 0 418.929 1.889 50 0 biogenic HDAARO COc1ccc(OC)c(NC(=O)CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1 ZINC000004741253 557590676 /nfs/dbraw/zinc/59/06/76/557590676.db2.gz FVSRSMUDOIZQAX-UHFFFAOYSA-N 1 0 404.511 1.448 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN(CC(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000004741343 557590881 /nfs/dbraw/zinc/59/08/81/557590881.db2.gz BXRVHWOARUKLJA-UHFFFAOYSA-N 1 0 411.550 1.632 50 0 HDAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000007923180 557767696 /nfs/dbraw/zinc/76/76/96/557767696.db2.gz ISCPLWBHJGVQIN-UHFFFAOYSA-N 1 0 409.552 1.622 50 0 HDAARO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022767083 557814930 /nfs/dbraw/zinc/81/49/30/557814930.db2.gz WDVZMRKUQVVDEU-IBGZPJMESA-N 1 0 422.576 1.974 50 0 HDAARO COc1ccc([C@H](CNC(=O)C(=O)NCc2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022778476 557821183 /nfs/dbraw/zinc/82/11/83/557821183.db2.gz GVKXHTMJDLFTJL-QFIPXVFZSA-N 1 0 424.545 1.725 50 0 HDAARO COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022778577 557821429 /nfs/dbraw/zinc/82/14/29/557821429.db2.gz PCQAJEFGMJEFER-AVRDEDQJSA-N 1 0 424.545 1.977 50 0 HDAARO CCn1ccnc1CN(C)Cc1cccc(OC[C@@H](O)CN2CC[NH+](CC)CC2)c1 ZINC000019799756 558285387 /nfs/dbraw/zinc/28/53/87/558285387.db2.gz YSTNWFXCKMTFFJ-NRFANRHFSA-N 1 0 415.582 1.912 50 0 HDAARO CC[NH+]1CCN(CC(=O)Nc2c3cc(OC)c(OC)cc3[nH]c2C(=O)OC)CC1 ZINC000020025697 558322627 /nfs/dbraw/zinc/32/26/27/558322627.db2.gz UHFTWGYZMJDTLE-UHFFFAOYSA-N 1 0 404.467 1.548 50 0 HDAARO Nc1ncc(CN2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 ZINC000020325173 558355618 /nfs/dbraw/zinc/35/56/18/558355618.db2.gz BQABYQVYJGMYCY-LJQANCHMSA-N 1 0 410.522 1.570 50 0 HDAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)Cn2nc3ccccc3n2)CC1 ZINC000020906691 558421016 /nfs/dbraw/zinc/42/10/16/558421016.db2.gz DEAPZJCKONRAMI-LJQANCHMSA-N 1 0 415.538 1.797 50 0 HDAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)[C@H]1CNC(=O)C1 ZINC000012583591 558433370 /nfs/dbraw/zinc/43/33/70/558433370.db2.gz KMLNZFGWCBNSDC-LJQANCHMSA-N 1 0 403.523 1.518 50 0 HDAARO CCC[NH+]1CCC(NC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(OC)c2)CC1 ZINC000012587832 558434570 /nfs/dbraw/zinc/43/45/70/558434570.db2.gz GVESYUSVBFSITR-FQEVSTJZSA-N 1 0 402.539 1.376 50 0 HDAARO COc1cc(C[NH2+]CC2(O)CCCCC2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012709456 558451731 /nfs/dbraw/zinc/45/17/31/558451731.db2.gz CMAZAGUOGOXSCC-LJQANCHMSA-N 1 0 408.539 1.552 50 0 HDAARO COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(CNCC(F)(F)F)cc2)CC1 ZINC000012745219 558458031 /nfs/dbraw/zinc/45/80/31/558458031.db2.gz UYCDICLEMQGFKC-MRXNPFEDSA-N 1 0 404.429 1.963 50 0 HDAARO C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012993338 558497365 /nfs/dbraw/zinc/49/73/65/558497365.db2.gz IXFRTZILFJGACI-CQSZACIVSA-N 1 0 401.479 1.672 50 0 HDAARO COc1cccc([C@H](CNC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)[NH+]2CCCC2)c1 ZINC000022619148 558503010 /nfs/dbraw/zinc/50/30/10/558503010.db2.gz QXKZEFRDKLRGQX-FQEVSTJZSA-N 1 0 422.485 1.652 50 0 HDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000022693980 558504905 /nfs/dbraw/zinc/50/49/05/558504905.db2.gz PWPYENQQDFBQFV-MRXNPFEDSA-N 1 0 400.479 1.935 50 0 HDAARO O=C(CN1CC[NH+](CCc2ccccc2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000069924904 558610003 /nfs/dbraw/zinc/61/00/03/558610003.db2.gz PXLHBIAMYRVXPW-UHFFFAOYSA-N 1 0 424.501 1.966 50 0 HDAARO [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(C(F)(F)F)cc3)CN2C1=O ZINC000014534599 558657601 /nfs/dbraw/zinc/65/76/01/558657601.db2.gz ATLRQFSIDWGJHB-KKUMJFAQSA-N 1 0 412.412 1.032 50 0 HDAARO CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000014535696 558657964 /nfs/dbraw/zinc/65/79/64/558657964.db2.gz HXEZMKIWVQAQHD-UHFFFAOYSA-N 1 0 402.495 1.522 50 0 HDAARO COC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(=O)OC)C(=O)N2CCc1ccccc1 ZINC000014732432 558665988 /nfs/dbraw/zinc/66/59/88/558665988.db2.gz SDLPANTWTDUFAH-QGZVFWFLSA-N 1 0 417.506 1.536 50 0 HDAARO Cn1c(N)c(C(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c(=O)n(C)c1=O ZINC000027574109 558675291 /nfs/dbraw/zinc/67/52/91/558675291.db2.gz MNHHKDSKNPANPH-UHFFFAOYSA-N 1 0 414.462 1.022 50 0 HDAARO CN1CCN(C(=O)CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2N2CCOCC2)CC1 ZINC000014993928 558695614 /nfs/dbraw/zinc/69/56/14/558695614.db2.gz VRVCTLWREIRVOO-XZOQPEGZSA-N 1 0 414.594 1.764 50 0 HDAARO O=C(COc1ccc(N2CC[NH+](C3CCCCC3)CC2)nn1)N1CCSCC1 ZINC000015002661 558698319 /nfs/dbraw/zinc/69/83/19/558698319.db2.gz DWAUSXYQKJQUNB-UHFFFAOYSA-N 1 0 405.568 1.886 50 0 HDAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000028851988 558706123 /nfs/dbraw/zinc/70/61/23/558706123.db2.gz BXQPMRFRLCRNFV-OAHLLOKOSA-N 1 0 411.524 1.541 50 0 HDAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 ZINC000015377589 558736548 /nfs/dbraw/zinc/73/65/48/558736548.db2.gz RHGAIMFZYQHLAW-HUUCEWRRSA-N 1 0 415.506 1.776 50 0 HDAARO Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)[nH+]1 ZINC000033318435 558766274 /nfs/dbraw/zinc/76/62/74/558766274.db2.gz YNUWXVXAJAOEKG-UHFFFAOYSA-N 1 0 421.498 1.272 50 0 HDAARO NC(=O)CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016012584 558766670 /nfs/dbraw/zinc/76/66/70/558766670.db2.gz HJTRJQIINHODFY-PBWVOLNLSA-N 1 0 422.416 1.016 50 0 HDAARO O=C(COCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCC[NH+]1CCCC1 ZINC000032987621 558807470 /nfs/dbraw/zinc/80/74/70/558807470.db2.gz MQZCCPJGEGALFC-UHFFFAOYSA-N 1 0 407.471 1.658 50 0 HDAARO C[N@@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000016976293 558810916 /nfs/dbraw/zinc/81/09/16/558810916.db2.gz GAPJEHCZNLQGOM-YWZLYKJASA-N 1 0 404.898 1.880 50 0 HDAARO COc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)C2=O)cc1 ZINC000018136778 558831789 /nfs/dbraw/zinc/83/17/89/558831789.db2.gz KQHOZNLYLAZSEB-GOSISDBHSA-N 1 0 414.506 1.133 50 0 HDAARO Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)[nH+]1 ZINC000049025930 558847677 /nfs/dbraw/zinc/84/76/77/558847677.db2.gz FSKABJVTRRCMBF-UHFFFAOYSA-N 1 0 417.535 1.274 50 0 HDAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033168 558857407 /nfs/dbraw/zinc/85/74/07/558857407.db2.gz YZUXZZNOWDUYFN-UHFFFAOYSA-N 1 0 402.520 1.907 50 0 HDAARO Cc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000071385097 558897357 /nfs/dbraw/zinc/89/73/57/558897357.db2.gz LVBRBQNUTLEDMA-UHFFFAOYSA-N 1 0 408.568 1.602 50 0 HDAARO O=C([C@@H]1CCC[N@@H+](C2CCN(S(=O)(=O)c3cccnc3)CC2)C1)N1CCCC1 ZINC000071746531 558908278 /nfs/dbraw/zinc/90/82/78/558908278.db2.gz HYLGUISYNLKTMI-QGZVFWFLSA-N 1 0 406.552 1.569 50 0 HDAARO Cc1cc(C)nc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCN(C)CC4)C3)CC2)n1 ZINC000071774502 558911459 /nfs/dbraw/zinc/91/14/59/558911459.db2.gz YOLDMZREVXJBRB-IBGZPJMESA-N 1 0 400.571 1.548 50 0 HDAARO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 ZINC000065362702 558973462 /nfs/dbraw/zinc/97/34/62/558973462.db2.gz CSFZOSNHJFWULD-QGZVFWFLSA-N 1 0 409.552 1.447 50 0 HDAARO Cc1nc(N2CCOCC2)cc(NCCNS(=O)(=O)c2cccc(Cl)c2)[nH+]1 ZINC000065363798 558974947 /nfs/dbraw/zinc/97/49/47/558974947.db2.gz LDSCURIGTHRVIR-UHFFFAOYSA-N 1 0 411.915 1.665 50 0 HDAARO CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CC[NH+](C)CC3)c2)CC1 ZINC000067602170 558987831 /nfs/dbraw/zinc/98/78/31/558987831.db2.gz SXLGUQHTDDRIKL-UHFFFAOYSA-N 1 0 414.959 1.100 50 0 HDAARO Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)NCCC[NH+](C)C ZINC000097088492 558991153 /nfs/dbraw/zinc/99/11/53/558991153.db2.gz WNDJVNWHQMBTKS-UHFFFAOYSA-N 1 0 409.512 1.444 50 0 HDAARO CCN(C(=O)C[NH2+][C@@H]1CCCC1(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097105564 558993819 /nfs/dbraw/zinc/99/38/19/558993819.db2.gz FQIIJGSYCSXNTC-MRXNPFEDSA-N 1 0 413.522 1.688 50 0 HDAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000067934358 558994930 /nfs/dbraw/zinc/99/49/30/558994930.db2.gz SFEJFHKPKOILIZ-WPRPVWTQSA-N 1 0 403.430 1.720 50 0 HDAARO Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CC[NH+](C(C)C)CC2)[C@@H]3C1=O ZINC000077343920 559002018 /nfs/dbraw/zinc/00/20/18/559002018.db2.gz LSWXUZOQJOSWKP-VAWZGJIGSA-N 1 0 413.493 1.973 50 0 HDAARO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cccnc2)CC3)C1 ZINC000077374958 559002414 /nfs/dbraw/zinc/00/24/14/559002414.db2.gz ZBZKPMXZTGSRMI-IBGZPJMESA-N 1 0 414.531 1.605 50 0 HDAARO CCCSCC(=O)N1CCC2(CN(CCN3CC[NH+](CC)CC3)C(=O)O2)CC1 ZINC000077376718 559002697 /nfs/dbraw/zinc/00/26/97/559002697.db2.gz BGVVKTPINFOWSL-UHFFFAOYSA-N 1 0 412.600 1.581 50 0 HDAARO Cc1ccc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CC[NH+]5CCCCC5)C(=O)[C@@H]24)O3)o1 ZINC000077405992 559003811 /nfs/dbraw/zinc/00/38/11/559003811.db2.gz MHYVVOYREOYGKL-VAWZGJIGSA-N 1 0 413.518 1.814 50 0 HDAARO CC(C)OCC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@@H]([NH+](C)C)C3)cc2C1 ZINC000077504974 559007595 /nfs/dbraw/zinc/00/75/95/559007595.db2.gz WUMPPOOXOSVTTO-GOSISDBHSA-N 1 0 409.552 1.321 50 0 HDAARO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)NC(C)(C)C)CC3)C1 ZINC000077519234 559008193 /nfs/dbraw/zinc/00/81/93/559008193.db2.gz QOUOWROYDGVLCY-KRWDZBQOSA-N 1 0 408.568 1.877 50 0 HDAARO COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCC[N@H+](C)CC3)[C@H]4C2=O)c1 ZINC000077542136 559009039 /nfs/dbraw/zinc/00/90/39/559009039.db2.gz XAZNPQAJTJXJBZ-SRYPRDQNSA-N 1 0 411.502 1.141 50 0 HDAARO CC[NH+]1CCN(CCCN2CC3(CCN(C(=O)c4ccncc4)CC3)OC2=O)CC1 ZINC000077553927 559009061 /nfs/dbraw/zinc/00/90/61/559009061.db2.gz AYPCLNXTHFYPCV-UHFFFAOYSA-N 1 0 415.538 1.536 50 0 HDAARO CN(C)C(=O)CCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082097637 559037658 /nfs/dbraw/zinc/03/76/58/559037658.db2.gz MUTDUTWPZUNYSO-HXUWFJFHSA-N 1 0 415.582 1.743 50 0 HDAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)[nH]n1 ZINC000082097683 559037732 /nfs/dbraw/zinc/03/77/32/559037732.db2.gz SHUSNUXRRDWGTA-SFHVURJKSA-N 1 0 410.522 1.746 50 0 HDAARO CCCS(=O)(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082106898 559038360 /nfs/dbraw/zinc/03/83/60/559038360.db2.gz NERCEBWHLYBNCH-GOSISDBHSA-N 1 0 408.568 1.614 50 0 HDAARO CCN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1=O ZINC000082116089 559039163 /nfs/dbraw/zinc/03/91/63/559039163.db2.gz HFVRKXYJIVAGQU-HXUWFJFHSA-N 1 0 413.566 1.449 50 0 HDAARO COCCn1c(=O)[nH]c2cc(C(=O)NCC[NH+]3[C@H](C)CCC[C@H]3C)ccc2c1=O ZINC000004791792 559065480 /nfs/dbraw/zinc/06/54/80/559065480.db2.gz YTQNMJFWDBQOMQ-HUUCEWRRSA-N 1 0 402.495 1.329 50 0 HDAARO Cc1n[nH]c(CCC(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)c1C ZINC000095519760 559085128 /nfs/dbraw/zinc/08/51/28/559085128.db2.gz MAAMTUXLEQXNFJ-SFHVURJKSA-N 1 0 401.555 1.894 50 0 HDAARO O=C(C[C@H]1C(=O)NCCN1CCCc1ccccc1)NCCCOc1cccnc1 ZINC000011665204 559143605 /nfs/dbraw/zinc/14/36/05/559143605.db2.gz AYZSFGLGIAHFAK-NRFANRHFSA-N 1 0 410.518 1.790 50 0 HDAARO COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCC[N@H+](C)CC3)[C@@H]4C2=O)c1 ZINC000107129882 559164569 /nfs/dbraw/zinc/16/45/69/559164569.db2.gz XAZNPQAJTJXJBZ-GJPOJAMWSA-N 1 0 411.502 1.141 50 0 HDAARO CCC[NH+](CCC)CCNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O ZINC000004876200 559195353 /nfs/dbraw/zinc/19/53/53/559195353.db2.gz QNOFWTJQSUCRIL-UHFFFAOYSA-N 1 0 400.523 1.746 50 0 HDAARO CC(C)C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)CC1 ZINC000005147923 559252764 /nfs/dbraw/zinc/25/27/64/559252764.db2.gz IKAVTQZASVRVLO-UHFFFAOYSA-N 1 0 414.485 1.389 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C(C)C)[NH2+][C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000248152708 559265581 /nfs/dbraw/zinc/26/55/81/559265581.db2.gz CDIXBQRWOTYOAO-KSVNGYGVSA-N 1 0 405.882 1.753 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000005347299 560570654 /nfs/dbraw/zinc/57/06/54/560570654.db2.gz AFIFEWVLQBFXRN-QOIOWGMHSA-N 1 0 405.882 1.753 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000005347302 560570666 /nfs/dbraw/zinc/57/06/66/560570666.db2.gz AFIFEWVLQBFXRN-KSVNGYGVSA-N 1 0 405.882 1.753 50 0 HDAARO CCC[NH+]1CCN(C(=O)c2cn(CCOC)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000011666234 560773406 /nfs/dbraw/zinc/77/34/06/560773406.db2.gz HKNQKRJPEJGGBV-UHFFFAOYSA-N 1 0 423.517 1.953 50 0 HDAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000018185860 560781959 /nfs/dbraw/zinc/78/19/59/560781959.db2.gz AKXGIINXSPDTMO-INIZCTEOSA-N 1 0 404.492 1.420 50 0 HDAARO COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2c3ccccc3N(C)C2=O)[NH+](C)C)cc1 ZINC000101680385 560797894 /nfs/dbraw/zinc/79/78/94/560797894.db2.gz LYCLZEOYWAJRTC-RTBURBONSA-N 1 0 410.474 1.248 50 0 HDAARO Cn1cc(C(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(c4ccccn4)CC2)CCO3)cn1 ZINC000575317173 560855611 /nfs/dbraw/zinc/85/56/11/560855611.db2.gz UPNQUIOTVLBDQA-FQEVSTJZSA-N 1 0 424.549 1.791 50 0 HDAARO C[N@@H+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)[C@@H](c2ccccc2)C1 ZINC000013148598 560885547 /nfs/dbraw/zinc/88/55/47/560885547.db2.gz IABFTIYQIXWOEY-LJQANCHMSA-N 1 0 402.520 1.596 50 0 HDAARO CC1CC[NH+](CCCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)CC1 ZINC000004876159 568421506 /nfs/dbraw/zinc/42/15/06/568421506.db2.gz RLQTWIPMFDEANM-UHFFFAOYSA-N 1 0 412.534 1.746 50 0 HDAARO CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 ZINC000046034435 568425320 /nfs/dbraw/zinc/42/53/20/568425320.db2.gz XPPQKRLOOSJSKI-UHFFFAOYSA-N 1 0 408.524 1.323 50 0 HDAARO C[NH+]1CCN(Cc2ccccc2CNC(=O)CCS(=O)(=O)C2CCCC2)CC1 ZINC000048234215 568432570 /nfs/dbraw/zinc/43/25/70/568432570.db2.gz PKOVLCSXHALQBM-UHFFFAOYSA-N 1 0 407.580 1.798 50 0 HDAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Cn3cnc4c(cnn4C)c3=O)cc2)C1 ZINC000048345213 568440938 /nfs/dbraw/zinc/44/09/38/568440938.db2.gz ILNKCOLHAFOEJX-IAGOWNOFSA-N 1 0 422.533 1.924 50 0 HDAARO CC[NH+](CC)CCCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(OC)cc1 ZINC000012233891 568454657 /nfs/dbraw/zinc/45/46/57/568454657.db2.gz KUFJQZJIORWFOS-UHFFFAOYSA-N 1 0 400.483 1.260 50 0 HDAARO CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccn1C)N1CC[NH+](C)CC1 ZINC000021157101 568462096 /nfs/dbraw/zinc/46/20/96/568462096.db2.gz SPZTXEYVAZASDY-IBGZPJMESA-N 1 0 413.522 1.467 50 0 HDAARO COc1ccc(CN2CCCn3nc([C@H](O)CO)cc3C2)cc1C[NH+]1CCCC1 ZINC000221420190 568509885 /nfs/dbraw/zinc/50/98/85/568509885.db2.gz XGQKREBKOLWPGV-OAQYLSRUSA-N 1 0 400.523 1.919 50 0 HDAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCN4CCOCC4)[C@H]3C[C@@]21O ZINC000020410987 568605276 /nfs/dbraw/zinc/60/52/76/568605276.db2.gz KIHWOIFCLKGLKQ-VHCUVLFBSA-N 1 0 410.555 1.186 50 0 biogenic HDAARO CN1CC[NH+](C2(C(=O)N3CCN(CC(=O)Nc4ccccc4)CC3)CCCC2)CC1 ZINC000095405491 568605972 /nfs/dbraw/zinc/60/59/72/568605972.db2.gz BEERVAPZBIOMKY-UHFFFAOYSA-N 1 0 413.566 1.330 50 0 HDAARO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000095406044 568606140 /nfs/dbraw/zinc/60/61/40/568606140.db2.gz PIUQXFQOOQYOPA-ZWKOTPCHSA-N 1 0 422.551 1.798 50 0 HDAARO CC[NH+]1CCC(N(CC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)C2CC2)CC1 ZINC000095446696 568612032 /nfs/dbraw/zinc/61/20/32/568612032.db2.gz NJXOUOHQCCJQMC-GOSISDBHSA-N 1 0 423.583 1.438 50 0 HDAARO CC(=O)[C@@H]1CC(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)=NN1c1ccccc1 ZINC000095455952 568617424 /nfs/dbraw/zinc/61/74/24/568617424.db2.gz NBHQTJUTXSMLBJ-VGSWGCGISA-N 1 0 411.550 1.837 50 0 HDAARO C[NH+](C)CCCNC(=O)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095478983 568631922 /nfs/dbraw/zinc/63/19/22/568631922.db2.gz ATCIJSHDADKNSE-NSHDSACASA-N 1 0 408.300 1.746 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2ccc(NC(=O)C3=C(C)OCCS3)cc2)CC1 ZINC000020919507 568650858 /nfs/dbraw/zinc/65/08/58/568650858.db2.gz VKSPALZKGKFBOX-UHFFFAOYSA-N 1 0 418.563 1.987 50 0 HDAARO Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000020938329 568652652 /nfs/dbraw/zinc/65/26/52/568652652.db2.gz AEIMWTOPVQIKJJ-UHFFFAOYSA-N 1 0 424.549 1.496 50 0 HDAARO CCC[NH+]1CCN(CCCNC(=O)CCCN2c3cc(C)nn3CCC2=O)CC1 ZINC000020944063 568653117 /nfs/dbraw/zinc/65/31/17/568653117.db2.gz BHFJCRVCRSNAHD-UHFFFAOYSA-N 1 0 404.559 1.242 50 0 HDAARO Cc1ccc(C(=O)NCCN2CC[NH+](C)CC2)cc1NC(=O)C1=CSCCO1 ZINC000021019854 568658163 /nfs/dbraw/zinc/65/81/63/568658163.db2.gz LQHUHXKHAHYHFE-UHFFFAOYSA-N 1 0 404.536 1.516 50 0 HDAARO COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2cccn2C)N2CC[NH+](C)CC2)c1 ZINC000021154816 568673352 /nfs/dbraw/zinc/67/33/52/568673352.db2.gz BQKFLASJTWZIOW-SFHVURJKSA-N 1 0 422.551 1.309 50 0 HDAARO CC[NH+](CC)CCOCCN(CC(=O)N1CCN(C(C)=O)CC1)Cc1ccccc1 ZINC000096010188 568683767 /nfs/dbraw/zinc/68/37/67/568683767.db2.gz BYFWHLSGNDJKIT-UHFFFAOYSA-N 1 0 418.582 1.538 50 0 HDAARO CCCCn1c(N2CC[NH+](Cc3ccccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952383 568822221 /nfs/dbraw/zinc/82/22/21/568822221.db2.gz HJCHPGJEEZWFKU-UHFFFAOYSA-N 1 0 410.522 1.854 50 0 HDAARO C[N@H+](C[C@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCC1 ZINC000003211815 568862141 /nfs/dbraw/zinc/86/21/41/568862141.db2.gz JAAWIAFOLYWFDX-SFHVURJKSA-N 1 0 412.552 1.712 50 0 HDAARO C[C@H]([NH2+]C[C@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000003211785 568862209 /nfs/dbraw/zinc/86/22/09/568862209.db2.gz DGUBEVHBQSTJMV-HKUYNNGSSA-N 1 0 420.531 1.798 50 0 HDAARO O=C(Cc1ccsc1)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299782072 568875146 /nfs/dbraw/zinc/87/51/46/568875146.db2.gz UKZSMZXQCXHXSZ-LJQANCHMSA-N 1 0 405.564 1.756 50 0 HDAARO COc1ccc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)o1 ZINC000299798110 568876472 /nfs/dbraw/zinc/87/64/72/568876472.db2.gz PNWDDSYASAIRBX-KRWDZBQOSA-N 1 0 405.495 1.367 50 0 HDAARO CN(CC(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)Cc1ccncc1 ZINC000670436793 568879394 /nfs/dbraw/zinc/87/93/94/568879394.db2.gz RBXGWMKJCOVKRY-GWHCDVRWSA-N 1 0 405.546 1.197 50 0 HDAARO Cc1nnc(SCC(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)s1 ZINC000670439359 568885491 /nfs/dbraw/zinc/88/54/91/568885491.db2.gz AYKFZTGCWOJLKQ-RVSXGSNBSA-N 1 0 415.588 1.622 50 0 HDAARO CN(C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000058157686 568893629 /nfs/dbraw/zinc/89/36/29/568893629.db2.gz SULFHRSKPRXLPN-GOSISDBHSA-N 1 0 402.520 1.873 50 0 HDAARO O=C(NCCc1[nH+]cc2ccccn21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000031773123 568930806 /nfs/dbraw/zinc/93/08/06/568930806.db2.gz JQMLUMBWUKXALB-UHFFFAOYSA-N 1 0 414.487 1.328 50 0 HDAARO COc1ccccc1CNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000004083738 568939534 /nfs/dbraw/zinc/93/95/34/568939534.db2.gz FWAYSZFKUFWCRV-KXBFYZLASA-N 1 0 418.538 1.038 50 0 biogenic HDAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)CC1 ZINC000004316532 568962471 /nfs/dbraw/zinc/96/24/71/568962471.db2.gz CXMNJCAEELTUHQ-UHFFFAOYSA-N 1 0 402.886 1.267 50 0 HDAARO O=S(=O)(c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1)N1CCOCC1 ZINC000007980983 568963730 /nfs/dbraw/zinc/96/37/30/568963730.db2.gz LRERYWOEMZXQBH-GOSISDBHSA-N 1 0 402.520 1.789 50 0 HDAARO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000007985795 568964480 /nfs/dbraw/zinc/96/44/80/568964480.db2.gz WHQSTGILLKJOJP-HZPDHXFCSA-N 1 0 418.991 1.651 50 0 HDAARO O=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000015766698 568993278 /nfs/dbraw/zinc/99/32/78/568993278.db2.gz JLPSEQXWLXCRMC-UHFFFAOYSA-N 1 0 423.583 1.535 50 0 HDAARO O=C(NCC[NH+]1CCCCC1)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000015777362 569000344 /nfs/dbraw/zinc/00/03/44/569000344.db2.gz HBLCOSSFQXVTJY-UHFFFAOYSA-N 1 0 406.556 1.483 50 0 HDAARO C[NH+](C)CCNC(=O)CCCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000085645218 569005351 /nfs/dbraw/zinc/00/53/51/569005351.db2.gz SZRQGMXDPVJQEN-UHFFFAOYSA-N 1 0 422.555 1.064 50 0 HDAARO Cc1cn2c3c(nc2n1Cc1ccccc1)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000006167462 569016091 /nfs/dbraw/zinc/01/60/91/569016091.db2.gz MNXWNGZQEQFRIX-UHFFFAOYSA-N 1 0 420.517 1.992 50 0 HDAARO O=C(C[C@H]1[NH2+]CCC[C@@H]1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O ZINC000005784191 569025139 /nfs/dbraw/zinc/02/51/39/569025139.db2.gz LVASCWIMLIKXLA-CABCVRRESA-N 1 0 414.687 1.885 50 0 endogenous,investigational HDAARO C[NH+](C)Cc1ccccc1CNC(=O)CCNC1=NS(=O)(=O)c2ccccc21 ZINC000006992960 569031363 /nfs/dbraw/zinc/03/13/63/569031363.db2.gz YDURPHMOBYPCML-UHFFFAOYSA-N 1 0 400.504 1.493 50 0 HDAARO C[C@@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)NCCC[NH+]3CCCCC3)s2)C1 ZINC000035377860 569034483 /nfs/dbraw/zinc/03/44/83/569034483.db2.gz FHMJTWXZALRAJJ-OAHLLOKOSA-N 1 0 418.567 1.993 50 0 HDAARO C[N@@H+]1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@H]2C1 ZINC000245328134 569055961 /nfs/dbraw/zinc/05/59/61/569055961.db2.gz RZBBJXPUMQNBCQ-HYBUGGRVSA-N 1 0 418.497 1.671 50 0 HDAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](CCC(=O)N(C)C)C3)C2=O)c1OC ZINC000426701546 569073907 /nfs/dbraw/zinc/07/39/07/569073907.db2.gz DCDPCEGQIUYGKB-QFIPXVFZSA-N 1 0 403.523 1.997 50 0 HDAARO CCCC[N@@H+]1CCn2nc(CNS(=O)(=O)N3CCc4ccccc4C3)cc2C1 ZINC000426701477 569073942 /nfs/dbraw/zinc/07/39/42/569073942.db2.gz SPMLYMVKUOGDCN-UHFFFAOYSA-N 1 0 403.552 1.892 50 0 HDAARO CCOC(=O)Cn1c(=O)c2c3c(sc2n(CC[NH+]2CCCC2)c1=O)CCCC3 ZINC000006719706 569097911 /nfs/dbraw/zinc/09/79/11/569097911.db2.gz VNCGQGMWUZGNQN-UHFFFAOYSA-N 1 0 405.520 1.762 50 0 HDAARO C[C@@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)NCC[NH+]3CCCCCC3)s2)C1 ZINC000064836843 569104915 /nfs/dbraw/zinc/10/49/15/569104915.db2.gz QDULCTJAPOTBEW-OAHLLOKOSA-N 1 0 418.567 1.993 50 0 HDAARO [NH3+]CCNC(=O)Cn1c(=O)c2c3c(sc2n(Cc2ccccc2)c1=O)CCCC3 ZINC000006760324 569113354 /nfs/dbraw/zinc/11/33/54/569113354.db2.gz SABAOJSHVHEWND-UHFFFAOYSA-N 1 0 412.515 1.227 50 0 HDAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)C1 ZINC000006798733 569125821 /nfs/dbraw/zinc/12/58/21/569125821.db2.gz OQPZTURIEZBWBU-GJZGRUSLSA-N 1 0 408.572 1.585 50 0 HDAARO CC1(C)CC(NC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC(C)(C)[NH2+]1 ZINC000036365797 569152409 /nfs/dbraw/zinc/15/24/09/569152409.db2.gz DIEGVYUVOZAHJJ-UHFFFAOYSA-N 1 0 422.551 1.590 50 0 HDAARO Cc1noc(C)c1S(=O)(=O)N1CCC([C@H](C)C(=O)NCC[NH+]2CCCC2)CC1 ZINC000065061525 569165804 /nfs/dbraw/zinc/16/58/04/569165804.db2.gz SVXTYNLRXUQBRQ-AWEZNQCLSA-N 1 0 412.556 1.540 50 0 HDAARO CC(C)N1CCN(Cc2ccc(C(=O)N3CC[NH+](C(C)C)CC3)cc2)C(=O)C1=O ZINC000065129906 569183346 /nfs/dbraw/zinc/18/33/46/569183346.db2.gz XMLNWXAOMDGUQE-UHFFFAOYSA-N 1 0 400.523 1.432 50 0 HDAARO Cc1nnc2c(=O)n(CC(=O)N3CC[NH+](C4CCCCC4)CC3)c3cccnc3n12 ZINC000065172993 569190084 /nfs/dbraw/zinc/19/00/84/569190084.db2.gz PCIMQAJAVRXYGJ-UHFFFAOYSA-N 1 0 409.494 1.225 50 0 HDAARO C[NH+]1CCC(N2CCN(C(=O)Cn3cc(-c4ccc(F)cc4)oc3=O)CC2)CC1 ZINC000065255654 569207883 /nfs/dbraw/zinc/20/78/83/569207883.db2.gz ZTGMSWWCKLWAEO-UHFFFAOYSA-N 1 0 402.470 1.486 50 0 HDAARO CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NC2CC[NH+](C)CC2)CC3)CC1 ZINC000065273392 569216151 /nfs/dbraw/zinc/21/61/51/569216151.db2.gz MCPFOIIGZYRYQI-OAHLLOKOSA-N 1 0 405.568 1.127 50 0 HDAARO O=C(CN1c2ccc(F)cc2C(=O)N2CCC[C@H]2C1=O)NCC[NH+]1CCCCCC1 ZINC000065306876 569220794 /nfs/dbraw/zinc/22/07/94/569220794.db2.gz SEGGNQFWOCYMTC-IBGZPJMESA-N 1 0 416.497 1.769 50 0 HDAARO COCC[N@H+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000170606274 569244372 /nfs/dbraw/zinc/24/43/72/569244372.db2.gz WZRFJCCUCDCRHF-CQSZACIVSA-N 1 0 419.569 1.378 50 0 HDAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1 ZINC000089983580 569270982 /nfs/dbraw/zinc/27/09/82/569270982.db2.gz KAKBRCAFPJBMSO-SFHVURJKSA-N 1 0 420.506 1.708 50 0 HDAARO CCC[NH+]1CCN(C(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1 ZINC000096398474 569279497 /nfs/dbraw/zinc/27/94/97/569279497.db2.gz JXNDDENQLPXOQC-INIZCTEOSA-N 1 0 405.564 1.880 50 0 HDAARO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000497355532 569282061 /nfs/dbraw/zinc/28/20/61/569282061.db2.gz YEPOPTXBSHXYQE-DOMZBBRYSA-N 1 0 407.533 1.773 50 0 HDAARO Cn1nc2nc(N3CCN(CC[NH+](C)C)CC3)nc(-c3cccc(F)c3F)c2c1N ZINC000037376152 569288003 /nfs/dbraw/zinc/28/80/03/569288003.db2.gz FMOSJVICIQNBFB-UHFFFAOYSA-N 1 0 416.480 1.574 50 0 HDAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)c4cnn(C)c4)CC3)C2)CC1 ZINC000581819688 569320730 /nfs/dbraw/zinc/32/07/30/569320730.db2.gz CBMBWWHLGHRZMV-FQEVSTJZSA-N 1 0 403.571 1.848 50 0 HDAARO CCS(=O)(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000581820215 569321113 /nfs/dbraw/zinc/32/11/13/569321113.db2.gz YJZQCZKBZGRXQD-SFHVURJKSA-N 1 0 408.568 1.567 50 0 HDAARO COc1ccc(OC[C@@H](O)C[N@H+](CCO)C[C@H](O)Cn2ccc3ccccc32)cc1 ZINC000002710303 569322314 /nfs/dbraw/zinc/32/23/14/569322314.db2.gz RDLCNKMHHWWUDK-PMACEKPBSA-N 1 0 414.502 1.745 50 0 HDAARO COc1ccc(C(=O)NCC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1OC ZINC000027593135 569375636 /nfs/dbraw/zinc/37/56/36/569375636.db2.gz FFTBCJIONZCBNS-KRWDZBQOSA-N 1 0 403.454 1.992 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CCCn2cncn2)CC1 ZINC000012050800 569399397 /nfs/dbraw/zinc/39/93/97/569399397.db2.gz WEABWPAODKCKRK-IBGZPJMESA-N 1 0 404.559 1.678 50 0 HDAARO CCn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)cc(C3CC3)nc21 ZINC000078710775 569419711 /nfs/dbraw/zinc/41/97/11/569419711.db2.gz DBABXVMNJRCMMH-AWEZNQCLSA-N 1 0 413.522 1.832 50 0 HDAARO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000079066751 569426539 /nfs/dbraw/zinc/42/65/39/569426539.db2.gz LJVBCERZVHTEPW-RBBKRZOGSA-N 1 0 413.518 1.827 50 0 HDAARO C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)C[NH+]1CCCCC1 ZINC000079111308 569428070 /nfs/dbraw/zinc/42/80/70/569428070.db2.gz ZAIFUISYQOCVEV-MRXNPFEDSA-N 1 0 418.542 1.119 50 0 HDAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000067287130 571064935 /nfs/dbraw/zinc/06/49/35/571064935.db2.gz DQFMPJKOAPYFDO-IBGZPJMESA-N 1 0 402.495 1.504 50 0 HDAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000067287936 571065610 /nfs/dbraw/zinc/06/56/10/571065610.db2.gz UAUTYSPLDQPKFU-LJQANCHMSA-N 1 0 402.495 1.504 50 0 HDAARO CCOc1ccccc1[C@H]1NC(=O)NC(CN2CCC[N@H+](C)CC2)=C1C(=O)OC ZINC000067287911 571065685 /nfs/dbraw/zinc/06/56/85/571065685.db2.gz YGTHEMCWVYKOLB-LJQANCHMSA-N 1 0 402.495 1.504 50 0 HDAARO Cc1c(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)cnc2ccnn21 ZINC000670474321 571110849 /nfs/dbraw/zinc/11/08/49/571110849.db2.gz MOJDHSAUVKOGOJ-VSZUSUSQSA-N 1 0 402.502 1.335 50 0 HDAARO NC(=O)COc1ccccc1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000040087047 571157624 /nfs/dbraw/zinc/15/76/24/571157624.db2.gz WMGLEZKKNRWPBU-UHFFFAOYSA-N 1 0 410.518 1.488 50 0 HDAARO CC[NH+]1CCN(c2ccc(CNC(=O)CCn3nnc4ccccc4c3=O)cn2)CC1 ZINC000040118613 571174730 /nfs/dbraw/zinc/17/47/30/571174730.db2.gz WCXUGXKCRRCWIR-UHFFFAOYSA-N 1 0 421.505 1.035 50 0 HDAARO NC(=O)C1CC[NH+](CCCNC(=O)c2ccccc2I)CC1 ZINC000040121315 571177182 /nfs/dbraw/zinc/17/71/82/571177182.db2.gz LMXRWBZNSVRSCA-UHFFFAOYSA-N 1 0 415.275 1.608 50 0 HDAARO CC[NH+](CC)CCCNC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@H]13)O2 ZINC000009134453 571229266 /nfs/dbraw/zinc/22/92/66/571229266.db2.gz XGTPJIBZUWTHLC-ISHFTEKXSA-N 1 0 413.518 1.830 50 0 HDAARO COc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[NH+]4CCCCC4)ncn3n2)cc1 ZINC000009287261 571245208 /nfs/dbraw/zinc/24/52/08/571245208.db2.gz BFFCBHLIVCVXNK-UHFFFAOYSA-N 1 0 424.505 1.559 50 0 HDAARO CC(C)Cn1c2c(nc1N1CC[NH+](CCc3ccccc3)CC1)n(C)c(=O)[nH]c2=O ZINC000009714105 571281461 /nfs/dbraw/zinc/28/14/61/571281461.db2.gz WPUPBCUDFVDICS-UHFFFAOYSA-N 1 0 410.522 1.444 50 0 HDAARO O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCCC[NH+]1Cc2ccccc2C1 ZINC000012437892 1073961357 /nfs/dbraw/zinc/96/13/57/1073961357.db2.gz NDPPZUKBNUWBNC-QFIPXVFZSA-N 1 0 406.530 1.899 50 0 HDAARO COC(=O)c1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000012069449 132353334 /nfs/dbraw/zinc/35/33/34/132353334.db2.gz QSECJGVNAHZMKH-UHFFFAOYSA-N 1 0 424.501 1.740 50 0 HDAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCN3CCOCC3)C2)CC1 ZINC000012305532 132358302 /nfs/dbraw/zinc/35/83/02/132358302.db2.gz QKJHUDCEHICQFE-OAQYLSRUSA-N 1 0 400.567 1.830 50 0 HDAARO CC(C)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000020572397 519806758 /nfs/dbraw/zinc/80/67/58/519806758.db2.gz KQSLGNRBHBKFTM-GORZOVPNSA-N 1 0 417.893 1.895 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@]21c2cccc(Cl)c2NC1=O ZINC000020566582 520562585 /nfs/dbraw/zinc/56/25/85/520562585.db2.gz MFBMDYLIKLCJBX-ZCQATVAHSA-N 1 0 418.881 1.126 50 0 HDAARO CCOc1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)ccc1OCC(=O)N1CCCCC1 ZINC000032739808 520728145 /nfs/dbraw/zinc/72/81/45/520728145.db2.gz NXNVMEDUYFTXFR-QGZVFWFLSA-N 1 0 410.536 1.753 50 0 HDAARO COc1cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCCC2)cc(OC)c1OC ZINC000045966596 522064329 /nfs/dbraw/zinc/06/43/29/522064329.db2.gz GZYDXKXBWZFPOA-UHFFFAOYSA-N 1 0 419.522 1.919 50 0 HDAARO Cc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)NCC[NH+]4CCCC4)n3)n2)cc1 ZINC000033292444 525745861 /nfs/dbraw/zinc/74/58/61/525745861.db2.gz AWSNDQQLZDREJH-UHFFFAOYSA-N 1 0 408.462 1.476 50 0 HDAARO Cc1nnnn1-c1cccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000044921540 526433155 /nfs/dbraw/zinc/43/31/55/526433155.db2.gz UYMRYLFJPFOTCE-UHFFFAOYSA-N 1 0 419.489 1.690 50 0 HDAARO CCOc1cc(C[NH2+]CCSc2nnnn2C)ccc1OCC(=O)NC(C)(C)C ZINC000008254419 557778499 /nfs/dbraw/zinc/77/84/99/557778499.db2.gz QWKFINHZQHXILU-UHFFFAOYSA-N 1 0 422.555 1.784 50 0 HDAARO Cc1ccc([C@H](CNC(=O)C(=O)NCc2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000022796556 557823330 /nfs/dbraw/zinc/82/33/30/557823330.db2.gz OUVKWHPUBODUTR-IBGZPJMESA-N 1 0 400.548 1.778 50 0 HDAARO COc1ccc(C2(C(=O)N3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](O)C3)CCCC2)cc1 ZINC000019740508 558261372 /nfs/dbraw/zinc/26/13/72/558261372.db2.gz QRIOLYNMHSDKBF-NHCUHLMSSA-N 1 0 401.551 1.716 50 0 HDAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCCO3)CC2)c1ccco1 ZINC000011973432 558305281 /nfs/dbraw/zinc/30/52/81/558305281.db2.gz YBMKBZLVUOUAGD-UHFFFAOYSA-N 1 0 423.473 1.673 50 0 HDAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@H](CCSC)NC(C)=O ZINC000011996657 558306940 /nfs/dbraw/zinc/30/69/40/558306940.db2.gz HCVHCUVGYPEDDG-FQEVSTJZSA-N 1 0 412.644 1.899 50 0 HDAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1cccc3cccnc31)CC2)[C@H]1CCCO1 ZINC000020450762 558365591 /nfs/dbraw/zinc/36/55/91/558365591.db2.gz OKUZPZIWHHWHTQ-LJQANCHMSA-N 1 0 420.517 1.722 50 0 HDAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CN4CCOC4=O)C3)C2)c1OC ZINC000012303188 558372870 /nfs/dbraw/zinc/37/28/70/558372870.db2.gz RYOBVQAPIGONQB-JOCHJYFZSA-N 1 0 417.506 1.971 50 0 HDAARO O=C(c1cn(CC[NH+]2CCCCC2)nn1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000012313745 558377146 /nfs/dbraw/zinc/37/71/46/558377146.db2.gz KQGUYMVNRZXRJG-UHFFFAOYSA-N 1 0 409.494 1.868 50 0 HDAARO COc1cc(C[NH2+]CCCn2ccnc2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012445261 558413485 /nfs/dbraw/zinc/41/34/85/558413485.db2.gz PUONILIYFYUPTK-LJQANCHMSA-N 1 0 404.511 1.144 50 0 HDAARO CCC[NH+]1CCC(NC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(OC)c2)CC1 ZINC000012587838 558434670 /nfs/dbraw/zinc/43/46/70/558434670.db2.gz GVESYUSVBFSITR-HXUWFJFHSA-N 1 0 402.539 1.376 50 0 HDAARO CN1CCC([NH+]2CCC(Oc3cccc(C(=O)NC[C@H]4COCCO4)c3)CC2)CC1 ZINC000012715969 558455160 /nfs/dbraw/zinc/45/51/60/558455160.db2.gz GCUVDHRCTGHXPW-QFIPXVFZSA-N 1 0 417.550 1.769 50 0 HDAARO O=C(CN1c2ccccc2OCCC1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012791642 558465990 /nfs/dbraw/zinc/46/59/90/558465990.db2.gz MXWZAGAUMAUVEQ-UHFFFAOYSA-N 1 0 401.507 1.953 50 0 HDAARO CC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 ZINC000012993426 558497384 /nfs/dbraw/zinc/49/73/84/558497384.db2.gz ZNDDTRQZZJNMIZ-UHFFFAOYSA-N 1 0 401.479 1.530 50 0 HDAARO C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012993339 558497465 /nfs/dbraw/zinc/49/74/65/558497465.db2.gz IXFRTZILFJGACI-AWEZNQCLSA-N 1 0 401.479 1.672 50 0 HDAARO COc1ccc([C@H](CNC(=O)COCc2nc3ccccc3c(=O)[nH]2)[NH+](C)C)cc1 ZINC000023178140 558540556 /nfs/dbraw/zinc/54/05/56/558540556.db2.gz JWWYCXUWYJVMSF-IBGZPJMESA-N 1 0 410.474 1.867 50 0 HDAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@@]21c2cccc(Cl)c2NC1=O ZINC000013575033 558543211 /nfs/dbraw/zinc/54/32/11/558543211.db2.gz JYXHNNPQVSNEBQ-BRZOGNBASA-N 1 0 418.881 1.124 50 0 HDAARO CC(C)NC(=O)NCc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000023318469 558548842 /nfs/dbraw/zinc/54/88/42/558548842.db2.gz KPGYITQELNCHRP-UHFFFAOYSA-N 1 0 424.549 1.971 50 0 HDAARO COc1cc(C[NH2+]C[C@H](O)CN2CCOCC2)ccc1OCc1csc(C)n1 ZINC000023762157 558574705 /nfs/dbraw/zinc/57/47/05/558574705.db2.gz YWHWWJVDWZIODS-SFHVURJKSA-N 1 0 407.536 1.822 50 0 HDAARO COc1cc(C[NH2+]C[C@@H](O)CN2CCOCC2)ccc1OCc1csc(C)n1 ZINC000023762152 558574766 /nfs/dbraw/zinc/57/47/66/558574766.db2.gz YWHWWJVDWZIODS-GOSISDBHSA-N 1 0 407.536 1.822 50 0 HDAARO COc1ccc(-c2nc(SCC[NH+](C)C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000013693412 558574825 /nfs/dbraw/zinc/57/48/25/558574825.db2.gz RNHDVRHHJGSYOX-UHFFFAOYSA-N 1 0 401.492 1.357 50 0 HDAARO [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)CN2C1=O ZINC000014531087 558656037 /nfs/dbraw/zinc/65/60/37/558656037.db2.gz HKDJQIFJGJAIFB-KKUMJFAQSA-N 1 0 413.305 1.320 50 0 HDAARO CC(C)(C)C[NH+]1CCC2(CC1)C(=O)N(CC(N)=O)C(=O)N2CCc1ccccc1 ZINC000014535197 558657835 /nfs/dbraw/zinc/65/78/35/558657835.db2.gz MNBGBLNZLUZYCF-UHFFFAOYSA-N 1 0 400.523 1.859 50 0 HDAARO NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3cccnc3)CC2)C1=O ZINC000014751614 558670932 /nfs/dbraw/zinc/67/09/32/558670932.db2.gz MWXJCXPAXHCOGI-UHFFFAOYSA-N 1 0 421.501 1.408 50 0 HDAARO COc1ccccc1C[N@H+]1CCc2nnc([C@@H](C)NC(=O)C3CCOCC3)n2CC1 ZINC000014883613 558676849 /nfs/dbraw/zinc/67/68/49/558676849.db2.gz OPNLLMKCRNPEMB-MRXNPFEDSA-N 1 0 413.522 1.949 50 0 HDAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1ccc(OCCO)cc1)CC2)c1ccccn1 ZINC000014884640 558677131 /nfs/dbraw/zinc/67/71/31/558677131.db2.gz RGDYPRPIOOBGMG-UHFFFAOYSA-N 1 0 422.489 1.033 50 0 HDAARO CCOC(=O)N1CCC([N@H+]2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)CC1 ZINC000014983712 558692434 /nfs/dbraw/zinc/69/24/34/558692434.db2.gz AHLLFZFOVQSTLM-SFHVURJKSA-N 1 0 420.558 1.980 50 0 HDAARO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1ccccc1C[NH+](C)C ZINC000028939822 558707701 /nfs/dbraw/zinc/70/77/01/558707701.db2.gz MLFMHXVCPCELAK-UHFFFAOYSA-N 1 0 413.522 1.226 50 0 HDAARO CN(C(=O)CC[C@@H]1CCCN(C(=O)CN2CCCCC2=O)C1)C1CC[NH+](C)CC1 ZINC000015067297 558710122 /nfs/dbraw/zinc/71/01/22/558710122.db2.gz DRYMYFLRBMIFDA-SFHVURJKSA-N 1 0 406.571 1.570 50 0 HDAARO C[C@@H]1CSc2ccc(S(=O)(=O)NCCCN3CC[NH+](C)CC3)cc2NC1=O ZINC000022937286 558723861 /nfs/dbraw/zinc/72/38/61/558723861.db2.gz KVOMHVCITJPZCB-CQSZACIVSA-N 1 0 412.581 1.283 50 0 HDAARO CCOc1ccc(C(=O)N2CCN(c3ccc(N4CC[NH+](CC)CC4)nn3)CC2)cc1 ZINC000004583384 558773187 /nfs/dbraw/zinc/77/31/87/558773187.db2.gz CUFYKUKRLJUNNL-UHFFFAOYSA-N 1 0 424.549 1.980 50 0 HDAARO COC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000018106022 558831274 /nfs/dbraw/zinc/83/12/74/558831274.db2.gz YNHSAGSGYLYVJR-KRWDZBQOSA-N 1 0 412.442 1.955 50 0 HDAARO Cc1ccccc1NC(=O)CC(=O)N1CCC[N@H+](CCCN2CCOCC2)CC1 ZINC000055326448 558879087 /nfs/dbraw/zinc/87/90/87/558879087.db2.gz SOINRGHVKVSCLD-UHFFFAOYSA-N 1 0 402.539 1.580 50 0 HDAARO Cn1cc(NC(=O)CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cn1 ZINC000071439689 558899600 /nfs/dbraw/zinc/89/96/00/558899600.db2.gz POEYESKBEYBVED-KRWDZBQOSA-N 1 0 402.543 1.157 50 0 HDAARO O=C(c1cc(S(=O)(=O)NCC[NH+]2CCCC2)ccc1Cl)N1CCOCC1 ZINC000058140639 558901487 /nfs/dbraw/zinc/90/14/87/558901487.db2.gz KEERWRLUSLTVDA-UHFFFAOYSA-N 1 0 401.916 1.187 50 0 HDAARO CCn1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc1=O ZINC000071746409 558908226 /nfs/dbraw/zinc/90/82/26/558908226.db2.gz ZYEDZWDFIXEROU-LJQANCHMSA-N 1 0 414.550 1.807 50 0 HDAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3cc(NCCO)ncn3)CC2)C1)N1CCCC1 ZINC000071763630 558910237 /nfs/dbraw/zinc/91/02/37/558910237.db2.gz CERGKJWJPONHPJ-KRWDZBQOSA-N 1 0 402.543 1.184 50 0 HDAARO CNC(=O)CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071764821 558910725 /nfs/dbraw/zinc/91/07/25/558910725.db2.gz HVKLXFFYKVOPLV-MRXNPFEDSA-N 1 0 413.522 1.713 50 0 HDAARO Cc1cc(C)nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCN(C)CC4)C3)CC2)n1 ZINC000071774503 558911445 /nfs/dbraw/zinc/91/14/45/558911445.db2.gz YOLDMZREVXJBRB-LJQANCHMSA-N 1 0 400.571 1.548 50 0 HDAARO CCCCOCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071776380 558911691 /nfs/dbraw/zinc/91/16/91/558911691.db2.gz BMHBVUKEYJDGDR-LJQANCHMSA-N 1 0 408.587 1.280 50 0 HDAARO COc1ccc(CN(C)Cc2nonc2C)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000019608725 558946918 /nfs/dbraw/zinc/94/69/18/558946918.db2.gz FBBQHDMRDFKMHY-SFHVURJKSA-N 1 0 419.526 1.006 50 0 HDAARO C[NH+]1CCN(CCNC(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000033060361 558954860 /nfs/dbraw/zinc/95/48/60/558954860.db2.gz BMPSVSNDENAVMF-UHFFFAOYSA-N 1 0 408.915 1.421 50 0 HDAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000065361789 558972518 /nfs/dbraw/zinc/97/25/18/558972518.db2.gz ULXHTEHURYMBSN-QZTJIDSGSA-N 1 0 423.579 1.805 50 0 HDAARO COc1cc(N(CC(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)c(OC)cc1Cl ZINC000065362929 558973958 /nfs/dbraw/zinc/97/39/58/558973958.db2.gz IXXAFCGHJTWSHQ-UHFFFAOYSA-N 1 0 419.931 1.334 50 0 HDAARO CNc1ncc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cn1 ZINC000067804381 558993199 /nfs/dbraw/zinc/99/31/99/558993199.db2.gz OPBGXKPSNNHSGK-INIZCTEOSA-N 1 0 400.527 1.457 50 0 HDAARO C[NH+]1CCC2(CC1)CCCN(S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000067872244 558994208 /nfs/dbraw/zinc/99/42/08/558994208.db2.gz FSELNZYJDCNRFK-UHFFFAOYSA-N 1 0 400.566 1.977 50 0 HDAARO Cc1cn2cc(CNC(=O)c3ccc(C[NH+]4CCC(O)CC4)[nH]c3=O)nc2s1 ZINC000077355911 559002244 /nfs/dbraw/zinc/00/22/44/559002244.db2.gz QLUACAWVBTXNFN-UHFFFAOYSA-N 1 0 401.492 1.279 50 0 HDAARO Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCC[N@@H+](C)CC3)[C@@H]4C2=O)c1 ZINC000077393122 559003640 /nfs/dbraw/zinc/00/36/40/559003640.db2.gz FQPJGMRWMSXWPR-JCUDRXCFSA-N 1 0 409.530 1.750 50 0 HDAARO CC[NH+]1CCN(CCCN2CC3(CCN(c4ccnc(C)n4)CC3)OC2=O)CC1 ZINC000077438314 559005307 /nfs/dbraw/zinc/00/53/07/559005307.db2.gz SRCVOQIMXUBIHM-UHFFFAOYSA-N 1 0 402.543 1.604 50 0 HDAARO CS(=O)(=O)c1cnc(N2CCN(c3ccccc3)CC2)nc1[C@@H]1CCC[NH2+]C1 ZINC000077472466 559006853 /nfs/dbraw/zinc/00/68/53/559006853.db2.gz ADJDQQATCBSZOE-MRXNPFEDSA-N 1 0 401.536 1.674 50 0 HDAARO O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[NH+]2CCC3(CCO3)CC2)[nH]c1=O ZINC000077485681 559006950 /nfs/dbraw/zinc/00/69/50/559006950.db2.gz FIHIBACYTBVUPF-UHFFFAOYSA-N 1 0 411.458 1.789 50 0 HDAARO Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCC[N@@H+](C)CC3)[C@H]4C2=O)cc1C ZINC000077518324 559008022 /nfs/dbraw/zinc/00/80/22/559008022.db2.gz REVWQCQJVKMNKM-XARGGIHNSA-N 1 0 409.530 1.750 50 0 HDAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000082115151 559039035 /nfs/dbraw/zinc/03/90/35/559039035.db2.gz SPHQMGCNUASYKG-KRWDZBQOSA-N 1 0 406.552 1.366 50 0 HDAARO CCN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1=O ZINC000082116090 559039135 /nfs/dbraw/zinc/03/91/35/559039135.db2.gz HFVRKXYJIVAGQU-FQEVSTJZSA-N 1 0 413.566 1.449 50 0 HDAARO Cn1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082155690 559041404 /nfs/dbraw/zinc/04/14/04/559041404.db2.gz NIMRYHJCVYRDKF-QGZVFWFLSA-N 1 0 410.522 1.448 50 0 HDAARO CN(C)c1ccc(CC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)cc1 ZINC000095362112 559080098 /nfs/dbraw/zinc/08/00/98/559080098.db2.gz WKHNBBVJIWZPGB-IRLDBZIGSA-N 1 0 402.583 1.532 50 0 HDAARO COc1ccc2[nH]c(C(=O)N3C[C@H](CO)[C@H](C[N@H+]4C[C@@H](C)O[C@@H](C)C4)C3)cc2c1 ZINC000095388862 559080894 /nfs/dbraw/zinc/08/08/94/559080894.db2.gz GTJJHGPBERYIGW-CYGHRXIMSA-N 1 0 401.507 1.966 50 0 HDAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC000095529844 559086675 /nfs/dbraw/zinc/08/66/75/559086675.db2.gz HNQSEHUCAVWEKI-KRWDZBQOSA-N 1 0 403.527 1.131 50 0 HDAARO CCOC(=O)Cc1c(C)nc2ncnn2c1N1CC[NH+](CCc2ccncc2)CC1 ZINC000023316779 559117187 /nfs/dbraw/zinc/11/71/87/559117187.db2.gz AHBPVGMHRGCGBM-UHFFFAOYSA-N 1 0 409.494 1.298 50 0 HDAARO Cc1c(C[NH+]2CCC3(CCN(C(=O)Cc4cnc[nH]4)C[C@@H]3CO)CC2)cnn1C ZINC000097495073 559118950 /nfs/dbraw/zinc/11/89/50/559118950.db2.gz FHYHITNZOHQTQC-GOSISDBHSA-N 1 0 400.527 1.117 50 0 HDAARO O=C1N(CC2CCCCC2)CCC[C@]1(O)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000106740998 559163846 /nfs/dbraw/zinc/16/38/46/559163846.db2.gz HVWIOQLZYHXGRI-QFIPXVFZSA-N 1 0 401.555 1.923 50 0 HDAARO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000004982708 559223739 /nfs/dbraw/zinc/22/37/39/559223739.db2.gz XSVSWMSTRVMXMX-UHFFFAOYSA-N 1 0 411.568 1.800 50 0 HDAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 ZINC000011998179 559270076 /nfs/dbraw/zinc/27/00/76/559270076.db2.gz GYDYBRLSHOIMJW-KRWDZBQOSA-N 1 0 417.487 1.913 50 0 HDAARO CCOc1ccc(S(=O)(=O)N2CCN(c3nc(N(C)C)cc(C)[nH+]3)CC2)cc1 ZINC000017308072 560707800 /nfs/dbraw/zinc/70/78/00/560707800.db2.gz AXESGUITYZLVJT-UHFFFAOYSA-N 1 0 405.524 1.761 50 0 HDAARO CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2NCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000101535749 560797033 /nfs/dbraw/zinc/79/70/33/560797033.db2.gz GMAPOBWEEUQDKA-HNNXBMFYSA-N 1 0 406.527 1.849 50 0 HDAARO CCOC(=O)[C@@H]1CCCN(c2c(=O)c(=O)c2NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000101529750 560797053 /nfs/dbraw/zinc/79/70/53/560797053.db2.gz JKYFYMIMGWUQHP-GOSISDBHSA-N 1 0 413.518 1.996 50 0 HDAARO C[C@@H]1CN(S(=O)(=O)CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000048236006 568432946 /nfs/dbraw/zinc/43/29/46/568432946.db2.gz URRIOUNHYPZGEN-OKILXGFUSA-N 1 0 422.507 1.334 50 0 HDAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)Cn3cnc4c(cnn4C)c3=O)cc2)C1 ZINC000048345209 568440838 /nfs/dbraw/zinc/44/08/38/568440838.db2.gz ILNKCOLHAFOEJX-CALCHBBNSA-N 1 0 422.533 1.924 50 0 HDAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(-n3cnnc3)c2)[NH+](C)C)cc1 ZINC000049544660 568451203 /nfs/dbraw/zinc/45/12/03/568451203.db2.gz DWAZVYLTSXKTBT-LJQANCHMSA-N 1 0 408.462 1.634 50 0 HDAARO COc1ccc(C(=O)NC[C@@H](c2cccn2C)N2CC[NH+](C)CC2)c(OC)c1OC ZINC000021152945 568461952 /nfs/dbraw/zinc/46/19/52/568461952.db2.gz GGGHAOUBLKEAAM-SFHVURJKSA-N 1 0 416.522 1.769 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)Cn2c3ccccc3c3nc(=O)cc(C)n32)CC1 ZINC000020464834 568610059 /nfs/dbraw/zinc/61/00/59/568610059.db2.gz ISXCBBPFQZEBEB-UHFFFAOYSA-N 1 0 410.522 1.101 50 0 HDAARO Cc1nn(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cccn21 ZINC000020467209 568610431 /nfs/dbraw/zinc/61/04/31/568610431.db2.gz OWUVGGRKOBNLQI-UHFFFAOYSA-N 1 0 422.533 1.129 50 0 HDAARO COc1ccc(CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1S(N)(=O)=O ZINC000095455945 568617386 /nfs/dbraw/zinc/61/73/86/568617386.db2.gz OGVNEWBWBSAGKF-GOSISDBHSA-N 1 0 417.531 1.666 50 0 HDAARO CCc1c(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cnn1-c1ccc(OC)nn1 ZINC000040120302 568620554 /nfs/dbraw/zinc/62/05/54/568620554.db2.gz GCFGEJHNBLBQNI-MRXNPFEDSA-N 1 0 414.510 1.560 50 0 HDAARO CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCC[NH+]1CCCCCC1 ZINC000020531918 568627654 /nfs/dbraw/zinc/62/76/54/568627654.db2.gz RDWXZDUGCPDGQZ-UHFFFAOYSA-N 1 0 407.511 1.843 50 0 biogenic HDAARO C[C@@H]1C[NH+](CCC2CCN(C(=O)CNc3ccccc3C(N)=O)CC2)C[C@@H](C)O1 ZINC000225707049 568666252 /nfs/dbraw/zinc/66/62/52/568666252.db2.gz SPTAYWSBOHWRCM-IAGOWNOFSA-N 1 0 402.539 1.935 50 0 HDAARO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)N2CCN(CC[NH+]3CCCC3)CC2)O1 ZINC000225761581 568672163 /nfs/dbraw/zinc/67/21/63/568672163.db2.gz WMINEBGTYHGMJR-MSOLQXFVSA-N 1 0 410.559 1.299 50 0 HDAARO CSc1nc(C)c(CCC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c(C)n1 ZINC000095983429 568675709 /nfs/dbraw/zinc/67/57/09/568675709.db2.gz FETXZHREQVPJKC-UHFFFAOYSA-N 1 0 408.568 1.434 50 0 HDAARO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)C1(N2CCOCC2)CCC1 ZINC000095983233 568675732 /nfs/dbraw/zinc/67/57/32/568675732.db2.gz SRVIQWFMEQBSMI-UHFFFAOYSA-N 1 0 400.567 1.960 50 0 HDAARO C[NH+]1CCC(N2CCN(C(=O)CCc3ccnc(N4CCOCC4)c3)CC2)CC1 ZINC000096102107 568691222 /nfs/dbraw/zinc/69/12/22/568691222.db2.gz JNOBKQQCKFYDGC-UHFFFAOYSA-N 1 0 401.555 1.089 50 0 HDAARO CC[NH+](CC)CCCNC(=O)c1ccc(CN2CC(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000021526967 568709418 /nfs/dbraw/zinc/70/94/18/568709418.db2.gz PWSOLHPJDXVWFY-LJQANCHMSA-N 1 0 400.523 1.482 50 0 HDAARO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cccc(=O)n1CCOc1ccccc1Cl ZINC000229974032 568716226 /nfs/dbraw/zinc/71/62/26/568716226.db2.gz CPTBRWXSPZJIJI-INIZCTEOSA-N 1 0 418.925 1.556 50 0 HDAARO COc1cc(S(=O)(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)c(C)cc1C ZINC000021794637 568753471 /nfs/dbraw/zinc/75/34/71/568753471.db2.gz RCKKWQLZOQTDOK-UHFFFAOYSA-N 1 0 419.551 1.987 50 0 HDAARO C[C@@H]([NH2+]C[C@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000003211787 568862130 /nfs/dbraw/zinc/86/21/30/568862130.db2.gz DGUBEVHBQSTJMV-MJGOQNOKSA-N 1 0 420.531 1.798 50 0 HDAARO C[NH+]1CCC(OC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)CC1 ZINC000003213085 568862196 /nfs/dbraw/zinc/86/21/96/568862196.db2.gz VGGQMAMGTNZOMO-UHFFFAOYSA-N 1 0 424.548 1.729 50 0 HDAARO Cc1cnccc1C(=O)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299764218 568873522 /nfs/dbraw/zinc/87/35/22/568873522.db2.gz QTUQPWNEHUBWNB-IBGZPJMESA-N 1 0 400.523 1.469 50 0 HDAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1[nH]ncc1Cl ZINC000299778917 568874977 /nfs/dbraw/zinc/87/49/77/568874977.db2.gz PDYUYWDGAKYJKU-HNNXBMFYSA-N 1 0 409.918 1.142 50 0 HDAARO Cc1nc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cs1 ZINC000299781937 568875183 /nfs/dbraw/zinc/87/51/83/568875183.db2.gz LYCXRYYSCCIIEX-QGZVFWFLSA-N 1 0 406.552 1.531 50 0 HDAARO O=C(NC[C@@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1)c1ccc(F)cc1F ZINC000299790712 568875862 /nfs/dbraw/zinc/87/58/62/568875862.db2.gz CJLWMKKQKQDFII-QGZVFWFLSA-N 1 0 407.461 1.939 50 0 HDAARO COc1cccc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c1 ZINC000299800942 568876740 /nfs/dbraw/zinc/87/67/40/568876740.db2.gz WJCXLGXUZDJHLG-OAQYLSRUSA-N 1 0 415.534 1.774 50 0 HDAARO CN(CC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)Cc1ccncc1 ZINC000670436794 568879421 /nfs/dbraw/zinc/87/94/21/568879421.db2.gz RBXGWMKJCOVKRY-SDPJGKNGSA-N 1 0 405.546 1.197 50 0 HDAARO CC1CC[NH+](CCNC(=O)CN(C)S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000004103818 568942977 /nfs/dbraw/zinc/94/29/77/568942977.db2.gz JJLAXDCZCKIERP-UHFFFAOYSA-N 1 0 411.553 1.160 50 0 HDAARO CCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1 ZINC000004316542 568962360 /nfs/dbraw/zinc/96/23/60/568962360.db2.gz NLVXLTFJNBYOGI-UHFFFAOYSA-N 1 0 410.522 1.588 50 0 HDAARO CNC(=O)c1ccc(CN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CCOC)CC3)cc1 ZINC000107402742 569009163 /nfs/dbraw/zinc/00/91/63/569009163.db2.gz QKAQXGZYNFVMDC-JOCHJYFZSA-N 1 0 402.539 1.191 50 0 HDAARO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2)cc1 ZINC000015864176 569016454 /nfs/dbraw/zinc/01/64/54/569016454.db2.gz VLIWSSNGCYADIR-UHFFFAOYSA-N 1 0 403.504 1.318 50 0 HDAARO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000015942657 569024256 /nfs/dbraw/zinc/02/42/56/569024256.db2.gz YIANQSMKCHUZFH-UHFFFAOYSA-N 1 0 408.505 1.844 50 0 HDAARO O=C(Cc1n[nH]c(=O)c2ccccc12)NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524729772 569051696 /nfs/dbraw/zinc/05/16/96/569051696.db2.gz IXJVSXHFRLELNI-CVEARBPZSA-N 1 0 419.485 1.275 50 0 biogenic HDAARO CCCCN1CCN([C@@H](C(=O)N[C@H]2CC[C@@H]([NH3+])CC2)c2ccccc2)C(=O)C1=O ZINC000244874471 569055149 /nfs/dbraw/zinc/05/51/49/569055149.db2.gz XBUKKGZLJBUSPV-CEXWTWQISA-N 1 0 400.523 1.585 50 0 HDAARO Cc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cc(=O)n5[nH]cnc5n4)C3)C2=O)c1 ZINC000426465102 569073121 /nfs/dbraw/zinc/07/31/21/569073121.db2.gz DZQJAYOLSFQEEQ-JOCHJYFZSA-N 1 0 406.490 1.741 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035991649 569074726 /nfs/dbraw/zinc/07/47/26/569074726.db2.gz UXAWYBMBGUWKDP-LJQANCHMSA-N 1 0 404.486 1.977 50 0 HDAARO CCNc1nc(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc(C)[nH+]1 ZINC000064800461 569097406 /nfs/dbraw/zinc/09/74/06/569097406.db2.gz XJODNHKQZYNYKR-UHFFFAOYSA-N 1 0 421.523 1.745 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nnc(Cc2cc(OC)c(OC)c(OC)c2)o1 ZINC000006821573 569140509 /nfs/dbraw/zinc/14/05/09/569140509.db2.gz CSTQOAMSTZYDRY-CQSZACIVSA-N 1 0 404.467 1.900 50 0 HDAARO CC[NH+](CC)CCNC(=O)[C@H](C)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000065061440 569165166 /nfs/dbraw/zinc/16/51/66/569165166.db2.gz YJRRARIOUIDIEG-CQSZACIVSA-N 1 0 414.572 1.786 50 0 HDAARO COCCCNC1=[NH+]CCNC12CCN(S(=O)(=O)c1ccc(C)c(C)c1)CC2 ZINC000065074834 569169140 /nfs/dbraw/zinc/16/91/40/569169140.db2.gz OOYANZRWQYKUFV-UHFFFAOYSA-N 1 0 408.568 1.455 50 0 biogenic HDAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000065114009 569180937 /nfs/dbraw/zinc/18/09/37/569180937.db2.gz OLJHWXFWVCGWSQ-AWEZNQCLSA-N 1 0 421.523 1.591 50 0 HDAARO Cc1nc(-c2cccnc2SCC(=O)N2CCN(C3CC[NH+](C)CC3)CC2)no1 ZINC000065211307 569196454 /nfs/dbraw/zinc/19/64/54/569196454.db2.gz UHPZDYQVTPZWIO-UHFFFAOYSA-N 1 0 416.551 1.771 50 0 HDAARO CCS(=O)(=O)Nc1ccc(C)n(CC(=O)N2CC[NH+](C3CCCCC3)CC2)c1=O ZINC000065212394 569197344 /nfs/dbraw/zinc/19/73/44/569197344.db2.gz OIKPUQLICVWTKP-UHFFFAOYSA-N 1 0 424.567 1.395 50 0 HDAARO CC(=O)Nc1ncncc1N1CCC(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000065226946 569200151 /nfs/dbraw/zinc/20/01/51/569200151.db2.gz WEBIVYBTXIWAER-UHFFFAOYSA-N 1 0 422.533 1.826 50 0 HDAARO CC1CC[NH+](CCNC(=O)CN2c3cc(F)ccc3C(=O)N3CCC[C@@H]3C2=O)CC1 ZINC000065307025 569220924 /nfs/dbraw/zinc/22/09/24/569220924.db2.gz JHIDKXSSPDTUKR-GOSISDBHSA-N 1 0 416.497 1.625 50 0 HDAARO CCOC(=O)[C@@H]1CCCN(Cc2nc3nc(C)cc(N4CC[NH+](CC)CC4)n3n2)C1 ZINC000065311649 569220978 /nfs/dbraw/zinc/22/09/78/569220978.db2.gz PXCCUBMSYBUYCZ-QGZVFWFLSA-N 1 0 415.542 1.350 50 0 HDAARO C[NH+](C)CCCNC(=S)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000007385308 569235961 /nfs/dbraw/zinc/23/59/61/569235961.db2.gz VZXTVXDOVDPJCT-UHFFFAOYSA-N 1 0 410.609 1.308 50 0 HDAARO O=C([O-])[C@@H](CC(=O)Nc1ccc(F)cc1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000071283563 569251858 /nfs/dbraw/zinc/25/18/58/569251858.db2.gz VQICTMQFJRNZNR-KRWDZBQOSA-N 1 0 406.502 1.569 50 0 HDAARO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000089895924 569267950 /nfs/dbraw/zinc/26/79/50/569267950.db2.gz KLEMROIIZDNSTC-ZDUSSCGKSA-N 1 0 400.317 1.162 50 0 HDAARO CC[NH+]1CCN(c2ccccc2NC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000089977355 569270408 /nfs/dbraw/zinc/27/04/08/569270408.db2.gz VXZRNERMTZLLEB-UHFFFAOYSA-N 1 0 421.501 1.861 50 0 HDAARO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000252139735 569282163 /nfs/dbraw/zinc/28/21/63/569282163.db2.gz GJDJWVDAOCTMHY-ZBFHGGJFSA-N 1 0 419.503 1.283 50 0 HDAARO CCCn1c(N)c([C@H](c2cc(OC)c(OC)c(OC)c2)[NH+]2CCCC2)c(=O)[nH]c1=O ZINC000007777529 569308727 /nfs/dbraw/zinc/30/87/27/569308727.db2.gz KJBHPNQANCKGPR-KRWDZBQOSA-N 1 0 418.494 1.740 50 0 HDAARO COc1cccc(C[N@@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)c1OC ZINC000019568073 569326886 /nfs/dbraw/zinc/32/68/86/569326886.db2.gz YDIULXYZMOYAMH-UHFFFAOYSA-N 1 0 400.479 1.225 50 0 HDAARO CS[C@H]1CN(S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000253370553 569364666 /nfs/dbraw/zinc/36/46/66/569364666.db2.gz SKHGGXJYVIMRPW-MSOLQXFVSA-N 1 0 412.577 1.961 50 0 HDAARO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000253406600 569366142 /nfs/dbraw/zinc/36/61/42/569366142.db2.gz UTJKXLGXXFVIPG-INIZCTEOSA-N 1 0 405.520 1.730 50 0 HDAARO COc1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000078984971 569422707 /nfs/dbraw/zinc/42/27/07/569422707.db2.gz QVRGUEBGXYSSLE-RDJZCZTQSA-N 1 0 423.535 1.529 50 0 HDAARO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(COCC(F)(F)F)c1 ZINC000079023629 569424542 /nfs/dbraw/zinc/42/45/42/569424542.db2.gz ZASDLBXPKPJRRA-CQSZACIVSA-N 1 0 416.444 1.456 50 0 HDAARO O=C(c1cc(S(=O)(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c[nH]1)N1CCCC1 ZINC000079105710 569427700 /nfs/dbraw/zinc/42/77/00/569427700.db2.gz ISJKOLXDPICSNM-QGZVFWFLSA-N 1 0 424.567 1.516 50 0 HDAARO COc1cccc(N2CCn3c2nc2c3c(=O)n(CC[NH+]3CCCCC3)c(=O)n2C)c1 ZINC000008709883 571104687 /nfs/dbraw/zinc/10/46/87/571104687.db2.gz JDGRZQLWKJSRMX-UHFFFAOYSA-N 1 0 424.505 1.543 50 0 HDAARO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](CCC(=O)N4CCOCC4)CC3)n2)cc1 ZINC000040120553 571176591 /nfs/dbraw/zinc/17/65/91/571176591.db2.gz HFXBVPOFXTYEJE-GOSISDBHSA-N 1 0 413.522 1.973 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000009420678 571256982 /nfs/dbraw/zinc/25/69/82/571256982.db2.gz MEGHVMDIAFRODN-QGZVFWFLSA-N 1 0 409.490 1.551 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000009420679 571257002 /nfs/dbraw/zinc/25/70/02/571257002.db2.gz MEGHVMDIAFRODN-KRWDZBQOSA-N 1 0 409.490 1.551 50 0 HDAARO CCOC(=O)c1sc2nc3c(cc2c1NC(=O)C[NH2+]CCO)COC(C)(C)C3 ZINC000009423920 571257712 /nfs/dbraw/zinc/25/77/12/571257712.db2.gz IOJABHXSIBGDMF-UHFFFAOYSA-N 1 0 407.492 1.845 50 0 HDAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 ZINC000009515400 571264909 /nfs/dbraw/zinc/26/49/09/571264909.db2.gz KOHWLHNUZINHPI-UHFFFAOYSA-N 1 0 407.478 1.986 50 0 HDAARO CCc1ccc(-c2cc3c(=O)n(CC(=O)NC[C@@H]4CCC[N@H+]4CC)ncn3n2)cc1 ZINC000009727256 571282449 /nfs/dbraw/zinc/28/24/49/571282449.db2.gz FVVJZRJTWBCVOE-SFHVURJKSA-N 1 0 408.506 1.721 50 0 HDAARO Cc1cn2c(nc3c2c(=O)n(Cc2ccc(C)cc2)c(=O)n3C)n1CCC[NH+](C)C ZINC000010233392 571297712 /nfs/dbraw/zinc/29/77/12/571297712.db2.gz ARBMATRWWQZLLM-UHFFFAOYSA-N 1 0 408.506 1.766 50 0 HDAARO O=C(NCC[NH+]1CCCC1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000006936197 132321069 /nfs/dbraw/zinc/32/10/69/132321069.db2.gz YOXODHVWUKLNEI-KRWDZBQOSA-N 1 0 411.554 1.981 50 0 HDAARO C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000008122325 132327462 /nfs/dbraw/zinc/32/74/62/132327462.db2.gz VBHABMPIMUTARU-HSZRJFAPSA-N 1 0 421.501 1.674 50 0 HDAARO Cc1cc(C)cc(N2CCN(C(=O)C[C@H]3C(=O)NCC[N@@H+]3C3CCCC3)CC2=O)c1 ZINC000011754257 132350184 /nfs/dbraw/zinc/35/01/84/132350184.db2.gz BSGDSZODAGBFCS-FQEVSTJZSA-N 1 0 412.534 1.612 50 0 HDAARO CCN1CCN(C(=O)c2ccc(N3CCC([NH2+]Cc4cnn(C)c4)CC3)cc2)CC1 ZINC000011913702 132352168 /nfs/dbraw/zinc/35/21/68/132352168.db2.gz HDMXJKDJKCJZFB-UHFFFAOYSA-N 1 0 410.566 1.956 50 0 HDAARO O=C(CCN1C(=O)COc2ccccc21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000020938120 132471663 /nfs/dbraw/zinc/47/16/63/132471663.db2.gz AOEJYJPZEGZTID-UHFFFAOYSA-N 1 0 401.507 1.953 50 0 HDAARO CC(C)Cn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000020548780 519485899 /nfs/dbraw/zinc/48/58/99/519485899.db2.gz XJOVSKVRGRMYCZ-UHFFFAOYSA-N 1 0 410.522 1.397 50 0 HDAARO CC(C)c1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C[C@@H]2CCCO2)cc1 ZINC000045974386 519838377 /nfs/dbraw/zinc/83/83/77/519838377.db2.gz LDTLNWMMWCGHEV-SFHVURJKSA-N 1 0 409.552 1.412 50 0 HDAARO Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H]2CCCO2)c1 ZINC000045944341 524185582 /nfs/dbraw/zinc/18/55/82/524185582.db2.gz MWNWUBYLRXGUMI-SFHVURJKSA-N 1 0 409.552 1.295 50 0 HDAARO COc1ccc([C@@H](CNC(=O)C(=O)N[C@H]2c3ccccc3N(C)C2=O)[NH+](C)C)cc1 ZINC000044920675 525179836 /nfs/dbraw/zinc/17/98/36/525179836.db2.gz LYCLZEOYWAJRTC-MOPGFXCFSA-N 1 0 410.474 1.248 50 0 HDAARO Cc1noc(C)c1COc1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000032824270 526520475 /nfs/dbraw/zinc/52/04/75/526520475.db2.gz RMHNTDPBRIPPFG-UHFFFAOYSA-N 1 0 400.479 1.716 50 0 HDAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1ccc(OCCO)cc1)CC2)c1ccncc1 ZINC000020601138 526839238 /nfs/dbraw/zinc/83/92/38/526839238.db2.gz TYPCKOMHDOPNOG-UHFFFAOYSA-N 1 0 422.489 1.033 50 0 HDAARO Cn1c2nc(NCC[NH+](C)C)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000004809688 557599996 /nfs/dbraw/zinc/59/99/96/557599996.db2.gz NMXZFNZNFZYNMA-UHFFFAOYSA-N 1 0 408.865 1.248 50 0 HDAARO COc1ccc(NC(=O)CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(OC)c1 ZINC000004813893 557601105 /nfs/dbraw/zinc/60/11/05/557601105.db2.gz IFRJPRQEOFBVHW-UHFFFAOYSA-N 1 0 404.511 1.448 50 0 HDAARO Cc1cn2c3c(nc2n1CC[NH+](C)C)n(C)c(=O)n(Cc1ccccc1Cl)c3=O ZINC000006665379 557712967 /nfs/dbraw/zinc/71/29/67/557712967.db2.gz SAOSWHXYYQAKCM-UHFFFAOYSA-N 1 0 414.897 1.721 50 0 HDAARO C[NH+]1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccsc2)CC1 ZINC000022767152 557815059 /nfs/dbraw/zinc/81/50/59/557815059.db2.gz BYRXFYVNSDFMKL-QGZVFWFLSA-N 1 0 423.560 1.786 50 0 HDAARO COc1ccc([C@H](CNC(=O)C(=O)NCc2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000022795281 557822641 /nfs/dbraw/zinc/82/26/41/557822641.db2.gz YWCGRWDIICDZIY-IBGZPJMESA-N 1 0 416.547 1.478 50 0 HDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022795764 557822842 /nfs/dbraw/zinc/82/28/42/557822842.db2.gz GGMYEFJCWYBRCV-FQEVSTJZSA-N 1 0 416.472 1.686 50 0 HDAARO COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022796148 557823048 /nfs/dbraw/zinc/82/30/48/557823048.db2.gz IQTJYCANRZNRJI-LJQANCHMSA-N 1 0 414.481 1.878 50 0 HDAARO Cc1cc(CN2CCN(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)no1 ZINC000022799497 557824529 /nfs/dbraw/zinc/82/45/29/557824529.db2.gz IFFUQQXUJQSKIW-UHFFFAOYSA-N 1 0 411.550 1.881 50 0 HDAARO O=C(CCC1CCN(C(=O)Cn2cncn2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000011814060 558278485 /nfs/dbraw/zinc/27/84/85/558278485.db2.gz KXRRLYGNNUQSOI-OAQYLSRUSA-N 1 0 424.549 1.688 50 0 HDAARO O=C(C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000011818303 558281527 /nfs/dbraw/zinc/28/15/27/558281527.db2.gz OWAIQCWDBMIJBO-INIZCTEOSA-N 1 0 404.536 1.166 50 0 HDAARO COC(=O)CCNC(=O)c1cccc(OC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000019792285 558283102 /nfs/dbraw/zinc/28/31/02/558283102.db2.gz BQEOQYRGCXGWRO-UHFFFAOYSA-N 1 0 403.523 1.917 50 0 HDAARO COCC(=O)N[C@@H](c1nnc2n1CC[N@@H+](Cc1cccc(OC)c1)CC2)C(C)C ZINC000011911230 558296869 /nfs/dbraw/zinc/29/68/69/558296869.db2.gz YUYXZUPJELXNRN-HXUWFJFHSA-N 1 0 401.511 1.805 50 0 HDAARO COc1ccc(Cn2c(=O)c3ccccc3n(CCCN3CC[NH+](C)CC3)c2=O)cc1 ZINC000019892520 558303505 /nfs/dbraw/zinc/30/35/05/558303505.db2.gz ASKXALZVJPESAE-UHFFFAOYSA-N 1 0 422.529 1.858 50 0 HDAARO O[C@H]1C[N@H+](Cc2ccc(Cn3cccn3)cc2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000020254770 558351913 /nfs/dbraw/zinc/35/19/13/558351913.db2.gz OUTGPSQEIJEFLS-GOTSBHOMSA-N 1 0 418.545 1.694 50 0 HDAARO COc1ccc(-c2c3c(cn2CCC[NH+]2CCOCC2)n(C)c(=O)n(C)c3=O)cc1 ZINC000020391680 558358961 /nfs/dbraw/zinc/35/89/61/558358961.db2.gz LIDWEOAAJLJPMN-UHFFFAOYSA-N 1 0 412.490 1.437 50 0 HDAARO O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1CCN(CCO)CC1 ZINC000012387711 558396658 /nfs/dbraw/zinc/39/66/58/558396658.db2.gz FGEMMMPTMDWPEV-UHFFFAOYSA-N 1 0 424.545 1.875 50 0 HDAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000022011677 558457727 /nfs/dbraw/zinc/45/77/27/558457727.db2.gz VTHZYDOJOWBMQB-IBGZPJMESA-N 1 0 409.552 1.716 50 0 HDAARO CCN1CCC[C@@H]1C[NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000022780444 558509828 /nfs/dbraw/zinc/50/98/28/558509828.db2.gz QNVUULNMKWCSKY-FUHWJXTLSA-N 1 0 408.568 1.872 50 0 HDAARO Cc1ccc(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000013096102 558512904 /nfs/dbraw/zinc/51/29/04/558512904.db2.gz XNJSZQOFAPEPCX-HOTGVXAUSA-N 1 0 409.552 1.932 50 0 HDAARO CC[NH+](CC)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)[nH]c1=O)Cc1ccccc1 ZINC000023197777 558542172 /nfs/dbraw/zinc/54/21/72/558542172.db2.gz YQFKZVDHMYCNHZ-GOSISDBHSA-N 1 0 408.502 1.759 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000013575792 558543444 /nfs/dbraw/zinc/54/34/44/558543444.db2.gz KMHFBXBAEGQZNZ-CROMWVBPSA-N 1 0 423.444 1.435 50 0 HDAARO COC(=O)CCC(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023373274 558553204 /nfs/dbraw/zinc/55/32/04/558553204.db2.gz ITYVOAHIZZRFBM-SFHVURJKSA-N 1 0 417.506 1.477 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccncc1 ZINC000013732133 558587166 /nfs/dbraw/zinc/58/71/66/558587166.db2.gz XYQJBRKQMCIRPW-KRWDZBQOSA-N 1 0 409.490 1.551 50 0 HDAARO CC(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[NH+](C)C ZINC000026305152 558658848 /nfs/dbraw/zinc/65/88/48/558658848.db2.gz IMRNCHOQXIEOGF-MRXNPFEDSA-N 1 0 400.520 1.428 50 0 HDAARO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+]([C@H](C)COC)CC2 ZINC000014542251 558660340 /nfs/dbraw/zinc/66/03/40/558660340.db2.gz DPUVMTRPEIOFEW-QGZVFWFLSA-N 1 0 419.522 1.975 50 0 HDAARO O=C(Nc1ccc2c(c1)CCC2)[C@H]1C[NH2+]C[C@@H](C(=O)NCCCN2CCOCC2)C1 ZINC000014733555 558666196 /nfs/dbraw/zinc/66/61/96/558666196.db2.gz STFOJNBESVSUGI-VQTJNVASSA-N 1 0 414.550 1.178 50 0 HDAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+]([C@@H]1CCSC1)CC2 ZINC000014752108 558671057 /nfs/dbraw/zinc/67/10/57/558671057.db2.gz SLOCZJPGYYUWNA-QGZVFWFLSA-N 1 0 404.536 1.832 50 0 HDAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCC2)CC1 ZINC000022936433 558672775 /nfs/dbraw/zinc/67/27/75/558672775.db2.gz COAZRHMXKWABBU-UHFFFAOYSA-N 1 0 411.550 1.880 50 0 HDAARO CCOc1ccc(N2CCn3c2nnc(C(=O)NCC[NH+](CC)CC)c3=O)cc1 ZINC000011027731 558692485 /nfs/dbraw/zinc/69/24/85/558692485.db2.gz VVOAQSFTDLQOSO-UHFFFAOYSA-N 1 0 400.483 1.260 50 0 HDAARO CCOc1cc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)NCCCO)nn3)C2)ccc1OC ZINC000014993170 558694933 /nfs/dbraw/zinc/69/49/33/558694933.db2.gz GWJPNBLSGFEPBL-QGZVFWFLSA-N 1 0 417.510 1.635 50 0 HDAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000028851990 558706141 /nfs/dbraw/zinc/70/61/41/558706141.db2.gz BXQPMRFRLCRNFV-HNNXBMFYSA-N 1 0 411.524 1.541 50 0 HDAARO CNS(=O)(=O)c1ccc(CNC(=O)C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000072294934 558744458 /nfs/dbraw/zinc/74/44/58/558744458.db2.gz GVDTXZSDWPWTIP-UHFFFAOYSA-N 1 0 402.520 1.518 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016024601 558768603 /nfs/dbraw/zinc/76/86/03/558768603.db2.gz BQBWRMQNBHJNQQ-SAOYNLAMSA-N 1 0 406.280 1.990 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@]21C(=O)Nc2c1ccc(C)c2C ZINC000016024563 558768623 /nfs/dbraw/zinc/76/86/23/558768623.db2.gz YFTBBHYIRIHMIZ-PTDBIEIZSA-N 1 0 417.531 1.423 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016024603 558768678 /nfs/dbraw/zinc/76/86/78/558768678.db2.gz BQBWRMQNBHJNQQ-WVNJSLPRSA-N 1 0 406.280 1.990 50 0 HDAARO CC[NH+](CC)CCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000004598388 558834441 /nfs/dbraw/zinc/83/44/41/558834441.db2.gz LLRHDZOVWDBASW-HOTGVXAUSA-N 1 0 410.565 1.439 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2cccc(NC(=O)c3nnc(C)s3)c2)CC1 ZINC000033022621 558837904 /nfs/dbraw/zinc/83/79/04/558837904.db2.gz MZDDBQMXDPUNBF-UHFFFAOYSA-N 1 0 402.524 1.466 50 0 HDAARO O[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CC[C@H]1[NH+]1CCN(c2ccccn2)CC1 ZINC000019224713 558852637 /nfs/dbraw/zinc/85/26/37/558852637.db2.gz VUZGEROYXXIJCY-WOJBJXKFSA-N 1 0 410.518 1.610 50 0 HDAARO CCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2C)c1 ZINC000033034160 558858037 /nfs/dbraw/zinc/85/80/37/558858037.db2.gz GWUUCOJKZDCOIC-UHFFFAOYSA-N 1 0 402.520 1.955 50 0 HDAARO CN(CC(=O)NCCC[NH+]1CCCCCC1)c1nnc(N2CCCCC2=O)s1 ZINC000033048544 558886070 /nfs/dbraw/zinc/88/60/70/558886070.db2.gz OBFQHPKTNBJATK-UHFFFAOYSA-N 1 0 408.572 1.874 50 0 HDAARO CC(C)CCn1c2c(nc1N1CC[NH+](Cc3ccccc3)CC1)n(C)c(=O)n(C)c2=O ZINC000056902969 558886681 /nfs/dbraw/zinc/88/66/81/558886681.db2.gz AKTHIUOSPUZPQC-UHFFFAOYSA-N 1 0 424.549 1.802 50 0 HDAARO Cn1c2ccccc2nc(-c2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc2)c1=O ZINC000033171802 558900449 /nfs/dbraw/zinc/90/04/49/558900449.db2.gz ABQBWKZISHAMPJ-UHFFFAOYSA-N 1 0 419.529 1.968 50 0 HDAARO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000058166757 558907113 /nfs/dbraw/zinc/90/71/13/558907113.db2.gz DIRJZGJGAGRHPD-QUCCMNQESA-N 1 0 416.522 1.781 50 0 HDAARO CCc1nc(C)cc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071749741 558908884 /nfs/dbraw/zinc/90/88/84/558908884.db2.gz ZCTDXFJAKNLBTD-SFHVURJKSA-N 1 0 401.555 1.887 50 0 HDAARO CN(C)c1ccnc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071749276 558909018 /nfs/dbraw/zinc/90/90/18/558909018.db2.gz AGBQKOGVVDTVNY-QGZVFWFLSA-N 1 0 402.543 1.082 50 0 HDAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCCn3cncn3)C2)CC1 ZINC000064131527 558962157 /nfs/dbraw/zinc/96/21/57/558962157.db2.gz AXRUZCRHKDLECS-LJQANCHMSA-N 1 0 412.538 1.880 50 0 HDAARO Cc1nc(N2CCN(S(=O)(=O)c3cccnc3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000065363218 558974166 /nfs/dbraw/zinc/97/41/66/558974166.db2.gz PFTNMYOQKCJIKF-UHFFFAOYSA-N 1 0 402.524 1.681 50 0 HDAARO C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 ZINC000065364392 558975516 /nfs/dbraw/zinc/97/55/16/558975516.db2.gz UUZBGGZLKZFHEX-UHFFFAOYSA-N 1 0 401.916 1.185 50 0 HDAARO COc1ccc(-c2cn3cc(C(=O)NCC4CC[NH2+]CC4)nc3c(=O)n2C)c(F)c1 ZINC000072430503 558979462 /nfs/dbraw/zinc/97/94/62/558979462.db2.gz VTZCEANVOXJLFH-UHFFFAOYSA-N 1 0 413.453 1.577 50 0 HDAARO COc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1C(=O)N1CCC(C)CC1 ZINC000072434140 558979815 /nfs/dbraw/zinc/97/98/15/558979815.db2.gz SWCUPTPHRZFODE-UHFFFAOYSA-N 1 0 409.552 1.940 50 0 HDAARO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@@H](C)C[NH+]3CCCC3)C2)cc1 ZINC000072437104 558980506 /nfs/dbraw/zinc/98/05/06/558980506.db2.gz PFCKZGUAMLSVOT-MSOLQXFVSA-N 1 0 423.579 1.944 50 0 HDAARO C[NH+](C)[C@@H]1CCN(CCN2CC3(CCN(C(=O)c4cccc(O)c4)CC3)OC2=O)C1 ZINC000072470129 558983579 /nfs/dbraw/zinc/98/35/79/558983579.db2.gz DZFJBJWLMNBPDV-GOSISDBHSA-N 1 0 416.522 1.455 50 0 HDAARO C[NH+]1CCC(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)CC1 ZINC000067601804 558987497 /nfs/dbraw/zinc/98/74/97/558987497.db2.gz UKMPCJSRPRLJJH-UHFFFAOYSA-N 1 0 404.330 1.426 50 0 HDAARO COc1ccc(Cl)cc1N([C@H](C)C(=O)NC1CC[NH+](C)CC1)S(C)(=O)=O ZINC000067612939 558988962 /nfs/dbraw/zinc/98/89/62/558988962.db2.gz NELHAVFMUIRRJY-GFCCVEGCSA-N 1 0 403.932 1.714 50 0 HDAARO CCC[C@H]([NH3+])C(=O)N1CCc2cc(S(=O)(=O)NCc3cc(C)on3)ccc2C1 ZINC000077298438 559000693 /nfs/dbraw/zinc/00/06/93/559000693.db2.gz RAADBVLSUCDNDL-SFHVURJKSA-N 1 0 406.508 1.474 50 0 HDAARO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2ccccn2)CC3)C1 ZINC000077298442 559000759 /nfs/dbraw/zinc/00/07/59/559000759.db2.gz LBZVNAWKSSEUHN-SFHVURJKSA-N 1 0 414.531 1.605 50 0 HDAARO COc1cc(N2CCC3(CN(CCCN4CC[C@H]([NH+](C)C)C4)C(=O)O3)CC2)ncn1 ZINC000077319850 559001231 /nfs/dbraw/zinc/00/12/31/559001231.db2.gz KKOUYPILHRJBQG-KRWDZBQOSA-N 1 0 418.542 1.302 50 0 HDAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000082115150 559039014 /nfs/dbraw/zinc/03/90/14/559039014.db2.gz SPHQMGCNUASYKG-QGZVFWFLSA-N 1 0 406.552 1.366 50 0 HDAARO CC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082119919 559039192 /nfs/dbraw/zinc/03/91/92/559039192.db2.gz YSZJRTXBYXYIRF-KRWDZBQOSA-N 1 0 413.522 1.761 50 0 HDAARO C[C@@H](CC(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2)[NH+]1CCOCC1 ZINC000091781331 559073504 /nfs/dbraw/zinc/07/35/04/559073504.db2.gz ZVTKLLNBTXLFOR-INIZCTEOSA-N 1 0 403.527 1.143 50 0 HDAARO COc1ccc([C@H](O)C(=O)N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cc1 ZINC000095357540 559079899 /nfs/dbraw/zinc/07/98/99/559079899.db2.gz KSEXNQRFRMXZEB-FQEVSTJZSA-N 1 0 403.523 1.521 50 0 HDAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)c3c[nH]c(=O)[nH]c3=O)C2)cc1 ZINC000095507679 559083345 /nfs/dbraw/zinc/08/33/45/559083345.db2.gz DVADSUCRSWUDDE-INIZCTEOSA-N 1 0 400.479 1.099 50 0 HDAARO CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000408526076 559215329 /nfs/dbraw/zinc/21/53/29/559215329.db2.gz WXVFZPRVZOXMAW-ZFWWWQNUSA-N 1 0 418.357 1.702 50 0 HDAARO CC(C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000408526075 559215340 /nfs/dbraw/zinc/21/53/40/559215340.db2.gz WXVFZPRVZOXMAW-UKRRQHHQSA-N 1 0 418.357 1.702 50 0 HDAARO CC(C)C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1 ZINC000005147934 559252885 /nfs/dbraw/zinc/25/28/85/559252885.db2.gz AZAWVPCLYNVVBI-UHFFFAOYSA-N 1 0 424.549 1.834 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](CC(C)C)[NH2+][C@]3(C(=O)Nc4c3cccc4Cl)[C@H]2C1=O ZINC000248188390 559268413 /nfs/dbraw/zinc/26/84/13/559268413.db2.gz IXFIEDYTXCYCOX-DSEONOSFSA-N 1 0 405.882 1.753 50 0 HDAARO CCN(CC)c1ccc(C2=[NH+]O[C@@H](Cn3c(=O)c4c(ncn4C)n(C)c3=O)C2)cc1 ZINC000005207933 560538677 /nfs/dbraw/zinc/53/86/77/560538677.db2.gz RXBOXRIRJHPKBB-MRXNPFEDSA-N 1 0 410.478 1.473 50 0 HDAARO COc1ccc(OC)c(C2=NO[C@@H]3[C@@H]4C[C@H]([C@H]23)[C@H]2C(=O)N(CC[NH+](C)C)C(=O)[C@@H]42)c1 ZINC000005322186 560568419 /nfs/dbraw/zinc/56/84/19/560568419.db2.gz AHUBHKQFFTZIRM-QCTDFANMSA-N 1 0 413.474 1.235 50 0 HDAARO C[NH+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000005374778 560574601 /nfs/dbraw/zinc/57/46/01/560574601.db2.gz WOZQCEKWUBMTIH-UHFFFAOYSA-N 1 0 400.504 1.957 50 0 HDAARO COc1ccc(OC)c(N2C[C@@H](C(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2=O)c1 ZINC000106672212 560893002 /nfs/dbraw/zinc/89/30/02/560893002.db2.gz CRKZZWQTXJVRRP-BBWFWOEESA-N 1 0 419.522 1.672 50 0 HDAARO C[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000048312233 568436226 /nfs/dbraw/zinc/43/62/26/568436226.db2.gz YAOUVJVYXGQLNS-HNNXBMFYSA-N 1 0 403.570 1.337 50 0 HDAARO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048309167 568436333 /nfs/dbraw/zinc/43/63/33/568436333.db2.gz BAKJKTAMHRLWSH-HXUWFJFHSA-N 1 0 416.501 1.475 50 0 HDAARO Cn1cccc1[C@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000021156636 568462235 /nfs/dbraw/zinc/46/22/35/568462235.db2.gz LAGDWRQPTNVMRZ-IBGZPJMESA-N 1 0 417.941 1.400 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)CC1 ZINC000020280401 568596722 /nfs/dbraw/zinc/59/67/22/568596722.db2.gz SRFJJQKXAHFILE-UHFFFAOYSA-N 1 0 414.550 1.841 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)CC1 ZINC000020414525 568605723 /nfs/dbraw/zinc/60/57/23/568605723.db2.gz VUUGKPBKNHISCK-UHFFFAOYSA-N 1 0 411.550 1.880 50 0 HDAARO Cc1c(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)ccc2c[nH+]c(C3CC3)n21 ZINC000095468870 568625210 /nfs/dbraw/zinc/62/52/10/568625210.db2.gz IMHQPFYHAZLFLB-UHFFFAOYSA-N 1 0 422.445 1.124 50 0 HDAARO O=C(Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000095469279 568625628 /nfs/dbraw/zinc/62/56/28/568625628.db2.gz VOKKVDNLKRNZKB-SFHVURJKSA-N 1 0 423.477 1.103 50 0 HDAARO C[C@H](NC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C(N)=O ZINC000225536327 568648485 /nfs/dbraw/zinc/64/84/85/568648485.db2.gz XBTDLRDUDPSEON-ZDUSSCGKSA-N 1 0 401.433 1.391 50 0 HDAARO C=C1C(NCCCN2CC[NH+](CC)CC2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000020901011 568649780 /nfs/dbraw/zinc/64/97/80/568649780.db2.gz SUBOYMQSKHWJLZ-UHFFFAOYSA-N 1 0 406.552 1.785 50 0 HDAARO COCCN(CCOC)S(=O)(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000225828995 568678432 /nfs/dbraw/zinc/67/84/32/568678432.db2.gz QHPSCFJWSVSKDJ-GOSISDBHSA-N 1 0 423.620 1.019 50 0 HDAARO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000095995457 568678456 /nfs/dbraw/zinc/67/84/56/568678456.db2.gz GJHZBCUSNSGMMW-IAGOWNOFSA-N 1 0 412.575 1.449 50 0 HDAARO CCOC(=O)c1noc2ncnc(N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)c12 ZINC000021539015 568713261 /nfs/dbraw/zinc/71/32/61/568713261.db2.gz AFBTUHJESVOBPA-UHFFFAOYSA-N 1 0 402.455 1.105 50 0 HDAARO OCC[NH+](CCO)C[C@H](O)COc1ccc(Br)cc1Br ZINC000012420359 568720396 /nfs/dbraw/zinc/72/03/96/568720396.db2.gz FECCRTHMBZEZFO-NSHDSACASA-N 1 0 413.106 1.238 50 0 HDAARO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1 ZINC000022582843 568770857 /nfs/dbraw/zinc/77/08/57/568770857.db2.gz PREUBHKTLPIOFQ-LJQANCHMSA-N 1 0 424.501 1.767 50 0 HDAARO CN(C)c1nccnc1NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299756605 568872837 /nfs/dbraw/zinc/87/28/37/568872837.db2.gz HXHORAZTGJPGJQ-SFHVURJKSA-N 1 0 402.543 1.304 50 0 HDAARO Cc1cccc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299759221 568873245 /nfs/dbraw/zinc/87/32/45/568873245.db2.gz CGNYJFAEXSSJTP-LJQANCHMSA-N 1 0 400.523 1.469 50 0 HDAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCn2cnnc2)CC1 ZINC000299764410 568873578 /nfs/dbraw/zinc/87/35/78/568873578.db2.gz VTAHPZYSHLRCCS-IBGZPJMESA-N 1 0 403.458 1.188 50 0 HDAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccc(F)cc1 ZINC000299786524 568875603 /nfs/dbraw/zinc/87/56/03/568875603.db2.gz LIKHSARBWNLDOH-FQEVSTJZSA-N 1 0 403.498 1.905 50 0 HDAARO Cc1ncsc1C(=O)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299798884 568876446 /nfs/dbraw/zinc/87/64/46/568876446.db2.gz WFKQLNUKUUPOGG-QGZVFWFLSA-N 1 0 406.552 1.531 50 0 HDAARO CCc1ocnc1C(=O)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299799116 568876461 /nfs/dbraw/zinc/87/64/61/568876461.db2.gz PRDXILLLLMAPFR-KRWDZBQOSA-N 1 0 404.511 1.316 50 0 HDAARO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccccc1-c1nc[nH]n1 ZINC000670456673 568937341 /nfs/dbraw/zinc/93/73/41/568937341.db2.gz VGNPRVRSWMYOQY-SSSUMRQXSA-N 1 0 414.513 1.769 50 0 HDAARO CCc1ccc([C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)[NH+](C)C)cc1 ZINC000012779795 568956693 /nfs/dbraw/zinc/95/66/93/568956693.db2.gz YHRQBZQBVFCZCV-GOSISDBHSA-N 1 0 405.520 1.938 50 0 HDAARO O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000015021674 568961958 /nfs/dbraw/zinc/96/19/58/568961958.db2.gz BIFWRLIMBVQLOC-LONFEIEESA-N 1 0 417.421 1.847 50 0 HDAARO CCCCn1c(N2CC[NH+](CCCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004316423 568962211 /nfs/dbraw/zinc/96/22/11/568962211.db2.gz MQHDKJPZBMOLKC-UHFFFAOYSA-N 1 0 424.549 1.978 50 0 HDAARO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 ZINC000670469809 568983121 /nfs/dbraw/zinc/98/31/21/568983121.db2.gz LDXFDIVHVNNITO-OAHLLOKOSA-N 1 0 404.558 1.058 50 0 HDAARO C[NH+](C)[C@@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1cccc(F)c1 ZINC000012813522 568987390 /nfs/dbraw/zinc/98/73/90/568987390.db2.gz WLDAWGITMSVLKK-SFHVURJKSA-N 1 0 408.499 1.956 50 0 HDAARO O=C(NCC[NH+]1CCCC1)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1 ZINC000015777492 569001247 /nfs/dbraw/zinc/00/12/47/569001247.db2.gz MURNQXMPWDNKOE-UHFFFAOYSA-N 1 0 406.556 1.483 50 0 HDAARO Cc1ccc(-n2nc(C(=O)NCC[N@H+](C)Cc3ccccc3)c(=O)n(C)c2=O)cc1 ZINC000015786464 569007545 /nfs/dbraw/zinc/00/75/45/569007545.db2.gz NVJRJHDPBGWRDX-UHFFFAOYSA-N 1 0 407.474 1.101 50 0 HDAARO O=C(NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000583652780 569009373 /nfs/dbraw/zinc/00/93/73/569009373.db2.gz NHJPOQJLVGKCER-FGTMMUONSA-N 1 0 424.501 1.025 50 0 biogenic HDAARO COc1ccc(OC)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC(C)C)c1 ZINC000015862694 569016001 /nfs/dbraw/zinc/01/60/01/569016001.db2.gz HXNQOHUMTZOIQE-UHFFFAOYSA-N 1 0 413.540 1.172 50 0 HDAARO CC[NH+](CC)CCNC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O ZINC000035375562 569033992 /nfs/dbraw/zinc/03/39/92/569033992.db2.gz CPHROEJSXOITGP-UHFFFAOYSA-N 1 0 412.538 1.028 50 0 HDAARO CCNc1cc(C)[nH+]c(NCCNC(=O)COc2cc(-n3cccn3)nc(C)n2)n1 ZINC000090607700 569042038 /nfs/dbraw/zinc/04/20/38/569042038.db2.gz XCPILTSPKRNSMY-UHFFFAOYSA-N 1 0 411.470 1.108 50 0 HDAARO CC[NH+](CC)CCn1c(N)cc(=O)n(CC(=O)Nc2ccccc2C(C)(C)C)c1=O ZINC000013009704 569050038 /nfs/dbraw/zinc/05/00/38/569050038.db2.gz OXFNRHDZLXVJFI-UHFFFAOYSA-N 1 0 415.538 1.870 50 0 HDAARO CN1CC[N@H+](CCCNC(=O)CNC(=O)COc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000030000661 569052150 /nfs/dbraw/zinc/05/21/50/569052150.db2.gz ZYXFCDHRZHRPOS-JOCHJYFZSA-N 1 0 424.545 1.677 50 0 HDAARO CN(C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000241897323 569054964 /nfs/dbraw/zinc/05/49/64/569054964.db2.gz TXRNBNBHXZNNLE-PKOBYXMFSA-N 1 0 408.568 1.240 50 0 HDAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1nc(-c2ccncn2)no1 ZINC000064459839 569063021 /nfs/dbraw/zinc/06/30/21/569063021.db2.gz CNIJOGPZFGOLKS-UHFFFAOYSA-N 1 0 407.478 1.464 50 0 HDAARO CN1C(=O)N(C)C(=O)C2(Cc3ccccc3N3CC[N@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC000035855781 569063153 /nfs/dbraw/zinc/06/31/53/569063153.db2.gz NZCTWCOWHRQUSJ-FQEVSTJZSA-N 1 0 418.497 1.970 50 0 HDAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCN(c4ccc5nccn5n4)CC3)C2)CC1 ZINC000426683685 569073784 /nfs/dbraw/zinc/07/37/84/569073784.db2.gz BMVSMCFCZABURW-GOSISDBHSA-N 1 0 411.554 1.184 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035991648 569074720 /nfs/dbraw/zinc/07/47/20/569074720.db2.gz UXAWYBMBGUWKDP-IBGZPJMESA-N 1 0 404.486 1.977 50 0 HDAARO CS(=O)(=O)Nc1cnc(N2CC[NH2+]CC2)c(C(=O)NCCCc2ccccc2)c1 ZINC000065025159 569156214 /nfs/dbraw/zinc/15/62/14/569156214.db2.gz JZQTVCHVKMYQNR-UHFFFAOYSA-N 1 0 417.535 1.225 50 0 HDAARO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCC[NH+]2CCC(C(N)=O)CC2)c1 ZINC000036396149 569169002 /nfs/dbraw/zinc/16/90/02/569169002.db2.gz ZDZRONJWXYXDDM-UHFFFAOYSA-N 1 0 424.567 1.034 50 0 HDAARO O=C(NCCC[NH+]1CCCC1)c1nc(CCS(=O)(=O)c2ccc(F)cc2)no1 ZINC000065117563 569180289 /nfs/dbraw/zinc/18/02/89/569180289.db2.gz JXVPODRHWLNFKW-UHFFFAOYSA-N 1 0 410.471 1.441 50 0 HDAARO Cc1nnc2c(=O)n(CC(=O)N3CCC([NH+]4CCCCC4)CC3)c3cccnc3n12 ZINC000065172935 569190054 /nfs/dbraw/zinc/19/00/54/569190054.db2.gz FUABDWNOUDRLJI-UHFFFAOYSA-N 1 0 409.494 1.225 50 0 HDAARO Cn1cc2c(n1)nc(C(=O)NCC[N@H+](C)C1CCCCC1)nc2N1CCSCC1 ZINC000065284443 569216633 /nfs/dbraw/zinc/21/66/33/569216633.db2.gz WLRDJOGQOGLNSF-UHFFFAOYSA-N 1 0 417.583 1.911 50 0 HDAARO O=C(CN1c2ccc(F)cc2C(=O)N2CCC[C@@H]2C1=O)NCC[NH+]1CCCCCC1 ZINC000065306875 569220757 /nfs/dbraw/zinc/22/07/57/569220757.db2.gz SEGGNQFWOCYMTC-LJQANCHMSA-N 1 0 416.497 1.769 50 0 HDAARO CC1CC[NH+](CCNC(=O)c2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)no2)CC1 ZINC000065319278 569222065 /nfs/dbraw/zinc/22/20/65/569222065.db2.gz XWYUPYPVDZTFQI-UHFFFAOYSA-N 1 0 421.523 1.449 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c32)CC1 ZINC000065329643 569224807 /nfs/dbraw/zinc/22/48/07/569224807.db2.gz GNQNWTVCFPBSGX-UHFFFAOYSA-N 1 0 403.527 1.711 50 0 HDAARO COCC[N@H+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000170606273 569244361 /nfs/dbraw/zinc/24/43/61/569244361.db2.gz WZRFJCCUCDCRHF-AWEZNQCLSA-N 1 0 419.569 1.378 50 0 HDAARO COc1ccc(CN2C[C@H](C(=O)N(C)CC3CC[NH+](C[C@H](C)O)CC3)CC2=O)cc1 ZINC000089895904 569267984 /nfs/dbraw/zinc/26/79/84/569267984.db2.gz IUALEDUAIQJFAZ-FXAWDEMLSA-N 1 0 417.550 1.595 50 0 HDAARO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000497355533 569282064 /nfs/dbraw/zinc/28/20/64/569282064.db2.gz YEPOPTXBSHXYQE-IUODEOHRSA-N 1 0 407.533 1.773 50 0 HDAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCNC(=O)c2nccc3ccccc32)CC1 ZINC000252496586 569290999 /nfs/dbraw/zinc/29/09/99/569290999.db2.gz PMJBKHCOHFIUKR-IBGZPJMESA-N 1 0 414.550 1.758 50 0 HDAARO CN1CC[N@H+](CCCNC(=O)c2cnc3sccn3c2=O)[C@@H](c2ccccc2)C1 ZINC000195528652 569311888 /nfs/dbraw/zinc/31/18/88/569311888.db2.gz SALNJIQNGNKVOY-GOSISDBHSA-N 1 0 411.531 1.865 50 0 HDAARO O=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000252508970 569387782 /nfs/dbraw/zinc/38/77/82/569387782.db2.gz XZRPMPUXCFSPDR-IBGZPJMESA-N 1 0 407.474 1.882 50 0 HDAARO C/C=C/Cn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3CC[NH+]2CCCCC2)n(C)c1=O ZINC000008706259 569390085 /nfs/dbraw/zinc/39/00/85/569390085.db2.gz QHJIMPXUBKMLHR-SQRWCISFSA-N 1 0 413.526 1.716 50 0 HDAARO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(COCC(F)(F)F)c1 ZINC000079023624 569424665 /nfs/dbraw/zinc/42/46/65/569424665.db2.gz ZASDLBXPKPJRRA-AWEZNQCLSA-N 1 0 416.444 1.456 50 0 HDAARO Cc1ccc(N2C(=O)N(CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C(=O)[C@@H]2C)cc1 ZINC000039983364 571136261 /nfs/dbraw/zinc/13/62/61/571136261.db2.gz AWBDIAQDNFQWSG-PKOBYXMFSA-N 1 0 416.522 1.625 50 0 HDAARO Cc1cccc2c(=O)n(CC(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)cnc12 ZINC000040039641 571141990 /nfs/dbraw/zinc/14/19/90/571141990.db2.gz ZLXAQPNLEFLBMR-UHFFFAOYSA-N 1 0 406.490 1.168 50 0 HDAARO COc1ccc(CCC(=O)NCC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1 ZINC000008914989 571150539 /nfs/dbraw/zinc/15/05/39/571150539.db2.gz CRWLANHAFSYSCE-UHFFFAOYSA-N 1 0 411.506 1.131 50 0 HDAARO COc1ccc(OC)c(N2C[C@H](C(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2=O)c1 ZINC000040086633 571157035 /nfs/dbraw/zinc/15/70/35/571157035.db2.gz CRKZZWQTXJVRRP-BRWVUGGUSA-N 1 0 419.522 1.672 50 0 HDAARO CC1CC[NH+](CCCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000040108370 571168065 /nfs/dbraw/zinc/16/80/65/571168065.db2.gz PFHQNPLWUXBLNW-UHFFFAOYSA-N 1 0 412.556 1.278 50 0 HDAARO Cn1c(C[NH+]2CCC([C@H]3CCCCCN3C(=O)C3CC3)CC2)cc(=O)n(C)c1=O ZINC000069951344 571251175 /nfs/dbraw/zinc/25/11/75/571251175.db2.gz BCQWJBHSRCDTDX-LJQANCHMSA-N 1 0 402.539 1.477 50 0 HDAARO O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000010030662 571294137 /nfs/dbraw/zinc/29/41/37/571294137.db2.gz PLKVYFXQXPSYAW-UHFFFAOYSA-N 1 0 414.506 1.231 50 0 HDAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000032885582 571307566 /nfs/dbraw/zinc/30/75/66/571307566.db2.gz SRSRGDFHOQXUHJ-UHFFFAOYSA-N 1 0 421.567 1.988 50 0 HDAARO CC[NH+](CC)CCCNC(=O)COCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000006629830 132312256 /nfs/dbraw/zinc/31/22/56/132312256.db2.gz BMQYLZJMAVTYDZ-UHFFFAOYSA-N 1 0 408.518 1.339 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000009303004 132338360 /nfs/dbraw/zinc/33/83/60/132338360.db2.gz SSORFDQKYNLYPR-IAGOWNOFSA-N 1 0 408.462 1.005 50 0 HDAARO CCn1nc(C)c2ccnc(N3CCC(C(=O)NCCN4CC[NH+](C)CC4)CC3)c21 ZINC000033299129 132785259 /nfs/dbraw/zinc/78/52/59/132785259.db2.gz NQUJSQDJYAPIRB-UHFFFAOYSA-N 1 0 413.570 1.340 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000020567190 523292425 /nfs/dbraw/zinc/29/24/25/523292425.db2.gz CDIXBQRWOTYOAO-ULMVMLMRSA-N 1 0 405.882 1.753 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000020548728 523807702 /nfs/dbraw/zinc/80/77/02/523807702.db2.gz GJGPTLOXECCNTI-BKEDOTJMSA-N 1 0 423.922 1.460 50 0 HDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccsc2)CC1 ZINC000022766193 523916189 /nfs/dbraw/zinc/91/61/89/523916189.db2.gz IDGFNLXQUBBHKE-SFHVURJKSA-N 1 0 404.511 1.608 50 0 HDAARO CCc1ccc(S(=O)(=O)N(CCCOC(C)C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974638 524010974 /nfs/dbraw/zinc/01/09/74/524010974.db2.gz LFTLSEHGSYXMBT-UHFFFAOYSA-N 1 0 411.568 1.487 50 0 HDAARO COc1ccc(C[N@@H+]2CCCN(C(=O)Cn3nc4n(c3=O)CCCCC4)CC2)cc1 ZINC000032786719 524026484 /nfs/dbraw/zinc/02/64/84/524026484.db2.gz AJGUEKONOWEQFR-UHFFFAOYSA-N 1 0 413.522 1.514 50 0 HDAARO Cc1c(C)n2c(nc3c2c(=O)n(CC(C)C)c(=O)n3C)n1CCC[NH+]1CCOCC1 ZINC000020592053 525687338 /nfs/dbraw/zinc/68/73/38/525687338.db2.gz KJHFBUMNROLPKB-UHFFFAOYSA-N 1 0 416.526 1.145 50 0 HDAARO Cc1cc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(S(=O)(=O)N(C)C)c1C ZINC000032795959 526266344 /nfs/dbraw/zinc/26/63/44/526266344.db2.gz INNGKZZQSRBJQC-IYBDPMFKSA-N 1 0 411.568 1.783 50 0 HDAARO NS(=O)(=O)c1ccc(CC[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)cc1 ZINC000032682392 527311668 /nfs/dbraw/zinc/31/16/68/527311668.db2.gz NRVORXLAHSLKTQ-WIYYLYMNSA-N 1 0 404.532 1.921 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@H]2CC(=O)N(c3cccc(F)c3)C2=O)CC1 ZINC000001109114 557181915 /nfs/dbraw/zinc/18/19/15/557181915.db2.gz QZIKMTSBJFAIGO-KRWDZBQOSA-N 1 0 402.470 1.263 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@H]2CC(=O)N(c3ccccc3Cl)C2=O)CC1 ZINC000001481080 557270096 /nfs/dbraw/zinc/27/00/96/557270096.db2.gz OJNZTQNJZNCFET-KRWDZBQOSA-N 1 0 418.925 1.778 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000004177961 557524999 /nfs/dbraw/zinc/52/49/99/557524999.db2.gz ARJAEZNDZNXWTM-QGZVFWFLSA-N 1 0 402.470 1.263 50 0 HDAARO COc1ccc([C@H](CNC(=O)C(=O)NCCc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022795332 557822600 /nfs/dbraw/zinc/82/26/00/557822600.db2.gz IJSRIKUOOZQZSI-QFIPXVFZSA-N 1 0 424.545 1.459 50 0 HDAARO O=C(Cc1ccc(F)cc1)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000011818056 558281189 /nfs/dbraw/zinc/28/11/89/558281189.db2.gz ZHRQPBWVEMBFJC-UHFFFAOYSA-N 1 0 417.525 1.930 50 0 HDAARO C[NH+]1CCN(CCNC(=O)[C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1 ZINC000019792253 558283057 /nfs/dbraw/zinc/28/30/57/558283057.db2.gz DQRHKKOCOYIJOR-GOSISDBHSA-N 1 0 406.958 1.485 50 0 HDAARO O=C(NCCN1CCNC1=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012448926 558415623 /nfs/dbraw/zinc/41/56/23/558415623.db2.gz NGOUDXNNRPERQI-UHFFFAOYSA-N 1 0 423.517 1.880 50 0 HDAARO CC(C)N(C)Cc1nnnn1CC(=O)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000012570870 558428998 /nfs/dbraw/zinc/42/89/98/558428998.db2.gz CROYCOQJBAAOKM-UHFFFAOYSA-N 1 0 413.570 1.584 50 0 HDAARO O=C(CCN(C[C@H]1CCCO1)C(=O)c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000021534848 558440861 /nfs/dbraw/zinc/44/08/61/558440861.db2.gz VHTSPJNARMXDKN-QGZVFWFLSA-N 1 0 424.339 1.892 50 0 HDAARO O=C(CCN(C[C@@H]1CCCO1)C(=O)c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000021534845 558440941 /nfs/dbraw/zinc/44/09/41/558440941.db2.gz VHTSPJNARMXDKN-KRWDZBQOSA-N 1 0 424.339 1.892 50 0 HDAARO O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000012703837 558448763 /nfs/dbraw/zinc/44/87/63/558448763.db2.gz FSXLLDOBNCXYBI-UHFFFAOYSA-N 1 0 421.505 1.418 50 0 HDAARO CCN1CCC[C@H]1C[NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000022780462 558509776 /nfs/dbraw/zinc/50/97/76/558509776.db2.gz QNVUULNMKWCSKY-WMZOPIPTSA-N 1 0 408.568 1.872 50 0 HDAARO C[C@@H](C1CCN(C(=O)Cn2nnnc2CN2CCCCCC2)CC1)[NH+]1CCOCC1 ZINC000023339137 558550300 /nfs/dbraw/zinc/55/03/00/558550300.db2.gz JHBUYDNUXXMFFH-SFHVURJKSA-N 1 0 419.574 1.008 50 0 HDAARO COC(=O)CCC(=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023373272 558553170 /nfs/dbraw/zinc/55/31/70/558553170.db2.gz ITYVOAHIZZRFBM-GOSISDBHSA-N 1 0 417.506 1.477 50 0 HDAARO CC[C@]1(c2ccc(NC(=O)C(=O)NCC[NH+]3CCCCC3)cc2)CCC(=O)NC1=O ZINC000013691231 558573211 /nfs/dbraw/zinc/57/32/11/558573211.db2.gz CCCWPUYXOIAOKV-JOCHJYFZSA-N 1 0 414.506 1.312 50 0 HDAARO O=C(CC[NH+]1CCN(Cc2cc(=O)n3ccccc3n2)CC1)Nc1ccccc1F ZINC000025942269 558652652 /nfs/dbraw/zinc/65/26/52/558652652.db2.gz PKWGYPAAVFNSHK-UHFFFAOYSA-N 1 0 409.465 1.980 50 0 HDAARO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[NH+](C)C)CN(Cc3nccn3C)C2)cn1 ZINC000014535948 558658199 /nfs/dbraw/zinc/65/81/99/558658199.db2.gz XAPQBXMFNRIRLV-RBUKOAKNSA-N 1 0 414.554 1.318 50 0 HDAARO COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CC[NH+](CCO)CC2 ZINC000014539307 558659195 /nfs/dbraw/zinc/65/91/95/558659195.db2.gz KBOKTYOMFZNIAE-UHFFFAOYSA-N 1 0 405.495 1.323 50 0 HDAARO CC(=O)NCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](CC(C)C)C1 ZINC000014750606 558670669 /nfs/dbraw/zinc/67/06/69/558670669.db2.gz XRQAQBQVNAUBJS-DLBZAZTESA-N 1 0 406.502 1.611 50 0 HDAARO CC[NH+]1CCN(Cc2ccc(NC(=O)Cn3cnc4onc(C)c4c3=O)cc2)CC1 ZINC000022937116 558675054 /nfs/dbraw/zinc/67/50/54/558675054.db2.gz UDYUNOKXFZBLNV-UHFFFAOYSA-N 1 0 410.478 1.469 50 0 HDAARO O=C(CCCn1nnnc1CN1CCOCC1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000015077552 558717144 /nfs/dbraw/zinc/71/71/44/558717144.db2.gz SJUQCYWKJCUKSM-IBGZPJMESA-N 1 0 419.574 1.153 50 0 HDAARO C[NH+]1CCN(CCCNC(=O)c2ccccc2NC(=O)C2=CSCCO2)CC1 ZINC000022937729 558726109 /nfs/dbraw/zinc/72/61/09/558726109.db2.gz YYICLPKSQPLYSW-UHFFFAOYSA-N 1 0 404.536 1.597 50 0 HDAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@@]21c2cc(Cl)ccc2NC1=O ZINC000016025076 558768952 /nfs/dbraw/zinc/76/89/52/558768952.db2.gz MUSLHQQFYBCSJC-AUKZQPGHSA-N 1 0 418.881 1.124 50 0 HDAARO C[NH+]1CCN(CCNC(=O)CCCc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000032995320 558809662 /nfs/dbraw/zinc/80/96/62/558809662.db2.gz UBGXKACFTNSGME-UHFFFAOYSA-N 1 0 416.551 1.477 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 ZINC000018324322 558835662 /nfs/dbraw/zinc/83/56/62/558835662.db2.gz NDZYVJKKAZUJAO-LJQANCHMSA-N 1 0 412.534 1.162 50 0 HDAARO Cc1[nH]c(C(=O)N2CCC(CC(=O)NCCCN3CC[NH+](C)CC3)CC2)c(C)c1C ZINC000033024412 558841749 /nfs/dbraw/zinc/84/17/49/558841749.db2.gz KLTGKOGRULWDCP-UHFFFAOYSA-N 1 0 417.598 1.936 50 0 HDAARO CN1CC2(CC[NH+](C[C@@]3(O)CCCN(CCc4ccccc4)C3=O)CC2)OC1=O ZINC000067967957 558862164 /nfs/dbraw/zinc/86/21/64/558862164.db2.gz NDTWZOKXCJAIIQ-QFIPXVFZSA-N 1 0 401.507 1.499 50 0 HDAARO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000058151906 558902535 /nfs/dbraw/zinc/90/25/35/558902535.db2.gz GEUNEENKXSVPSK-SJORKVTESA-N 1 0 412.556 1.920 50 0 HDAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3nnnn3-c3ccccc3)CC2)C1)N1CCCC1 ZINC000071754329 558909331 /nfs/dbraw/zinc/90/93/31/558909331.db2.gz QVFRJLZVUQLIBV-SFHVURJKSA-N 1 0 409.538 1.966 50 0 HDAARO COc1nccnc1N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071759983 558910088 /nfs/dbraw/zinc/91/00/88/558910088.db2.gz MKWSLPMRNJTZST-GOSISDBHSA-N 1 0 410.522 1.877 50 0 HDAARO CCC[NH+]1CCN(C(=O)Cn2nc(C)n3nc(-c4ccc(OC)cc4)cc3c2=O)CC1 ZINC000021807892 558952508 /nfs/dbraw/zinc/95/25/08/558952508.db2.gz LKILMIPKAFMMDN-UHFFFAOYSA-N 1 0 424.505 1.429 50 0 HDAARO Cc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)cc1 ZINC000065363303 558974363 /nfs/dbraw/zinc/97/43/63/558974363.db2.gz NCVABGHGZNNARX-UHFFFAOYSA-N 1 0 417.535 1.441 50 0 HDAARO C[NH+]1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)CC1 ZINC000065364705 558975758 /nfs/dbraw/zinc/97/57/58/558975758.db2.gz LIWDBDJKIWNBHA-IBGZPJMESA-N 1 0 407.580 1.871 50 0 HDAARO CCn1c2ccccc2n(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(=O)c1=O ZINC000021943982 558979778 /nfs/dbraw/zinc/97/97/78/558979778.db2.gz CJCIEQVDJHXGNY-UHFFFAOYSA-N 1 0 420.513 1.964 50 0 HDAARO Cc1cc(N(CC(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)ccc1Br ZINC000067604711 558988600 /nfs/dbraw/zinc/98/86/00/558988600.db2.gz OJTDOMOCCINFOG-UHFFFAOYSA-N 1 0 418.357 1.734 50 0 HDAARO CC[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccc(OC)cc2)c2cccnc2)CC1 ZINC000022457248 558995313 /nfs/dbraw/zinc/99/53/13/558995313.db2.gz DDUMFVXYKJZFQN-FQEVSTJZSA-N 1 0 404.536 1.747 50 0 HDAARO CC(C)[NH+]1CCN(CCN2CC3(CCN(C(=O)c4ccccn4)CC3)OC2=O)CC1 ZINC000077341736 559001734 /nfs/dbraw/zinc/00/17/34/559001734.db2.gz QQWYIWBOHFQFFJ-UHFFFAOYSA-N 1 0 415.538 1.535 50 0 HDAARO CN(C)S(=O)(=O)N1CCC(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000077387038 559003182 /nfs/dbraw/zinc/00/31/82/559003182.db2.gz LNGUIYSGUZDROR-HXUWFJFHSA-N 1 0 422.595 1.676 50 0 HDAARO Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCC[N@@H+](C)CC3)[C@H]4C2=O)c1 ZINC000077393139 559003699 /nfs/dbraw/zinc/00/36/99/559003699.db2.gz FQPJGMRWMSXWPR-CIEVZJJWSA-N 1 0 409.530 1.750 50 0 HDAARO CC[NH+]1CCN(CCCN2CC3(CCN(C(=O)[C@H]4CC4(C)C)CC3)OC2=O)CC1 ZINC000077504938 559007600 /nfs/dbraw/zinc/00/76/00/559007600.db2.gz YDLHUNCBFYCZDA-GOSISDBHSA-N 1 0 406.571 1.874 50 0 HDAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000082086705 559036807 /nfs/dbraw/zinc/03/68/07/559036807.db2.gz LCINHSVUOVRAPN-INIZCTEOSA-N 1 0 406.552 1.366 50 0 HDAARO CCCS(=O)(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082106897 559038348 /nfs/dbraw/zinc/03/83/48/559038348.db2.gz NERCEBWHLYBNCH-SFHVURJKSA-N 1 0 408.568 1.614 50 0 HDAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)N3CCOCC3)CC2)C1 ZINC000082109624 559038849 /nfs/dbraw/zinc/03/88/49/559038849.db2.gz PMOJZAWOOAEWCW-IBGZPJMESA-N 1 0 415.538 1.326 50 0 HDAARO CNc1ccnc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082170834 559042183 /nfs/dbraw/zinc/04/21/83/559042183.db2.gz MHDWITIOSMGFBP-KRWDZBQOSA-N 1 0 409.538 1.911 50 0 HDAARO CNC(=O)c1ccc(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CCOC)CC3)cc1 ZINC000091435351 559071480 /nfs/dbraw/zinc/07/14/80/559071480.db2.gz QKAQXGZYNFVMDC-QFIPXVFZSA-N 1 0 402.539 1.191 50 0 HDAARO COc1ccc(CN(C)Cc2ncc[nH]2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000095518857 559084905 /nfs/dbraw/zinc/08/49/05/559084905.db2.gz AFHOOVQBRPSZCE-SFHVURJKSA-N 1 0 403.527 1.037 50 0 HDAARO CC(C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000408526073 559215342 /nfs/dbraw/zinc/21/53/42/559215342.db2.gz WXVFZPRVZOXMAW-DZGCQCFKSA-N 1 0 418.357 1.702 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](CCC(N)=O)[NH2+][C@]3(c4ccc(C)c(C)c4NC3=O)[C@H]2C1=O ZINC000248219573 559269066 /nfs/dbraw/zinc/26/90/66/559269066.db2.gz HJRBTQGLJOGHMF-KXXRBXEXSA-N 1 0 412.490 1.089 50 0 HDAARO COc1ccccc1CN1C(=O)N[C@H](CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1=O ZINC000206256875 560555562 /nfs/dbraw/zinc/55/55/62/560555562.db2.gz MFPCGOFGCPLUKG-MRXNPFEDSA-N 1 0 416.522 1.931 50 0 HDAARO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC000002220212 560559220 /nfs/dbraw/zinc/55/92/20/560559220.db2.gz MKDXXDBAIBQGKJ-UHFFFAOYSA-N 1 0 402.451 1.489 50 0 HDAARO CC1(C)CC(NC(=O)[C@@H]2[C@H]3C(=O)N(Cc4ccco4)C[C@@]34C=C[C@@H]2O4)CC(C)(C)[NH2+]1 ZINC000006760410 560634745 /nfs/dbraw/zinc/63/47/45/560634745.db2.gz RKFITMNYIQHZHA-ORQYLMBXSA-N 1 0 413.518 1.987 50 0 HDAARO COc1ccc(N2C(=O)N[C@H](CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000409415077 560723491 /nfs/dbraw/zinc/72/34/91/560723491.db2.gz SPBQKENQJALNBD-IPELMVKDSA-N 1 0 414.506 1.891 50 0 HDAARO COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cn[nH+]c(N(C)C)c3)CC2)c1 ZINC000206724595 560735403 /nfs/dbraw/zinc/73/54/03/560735403.db2.gz KKSJCDIVGHHGNK-UHFFFAOYSA-N 1 0 407.496 1.071 50 0 HDAARO O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCc1ccccc1CN1CCOCC1 ZINC000103309648 560840813 /nfs/dbraw/zinc/84/08/13/560840813.db2.gz FVOCBOQAEWENHX-BGYRXZFFSA-N 1 0 411.502 1.476 50 0 HDAARO C[C@H]1CN(S(=O)(=O)CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000048236007 568432920 /nfs/dbraw/zinc/43/29/20/568432920.db2.gz URRIOUNHYPZGEN-KBPBESRZSA-N 1 0 422.507 1.334 50 0 HDAARO Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000021156836 568462215 /nfs/dbraw/zinc/46/22/15/568462215.db2.gz NQVAXIQXMLSYHP-GOSISDBHSA-N 1 0 421.904 1.861 50 0 HDAARO CCn1c2ccccc2nc(SCC(=O)NCCCN2CC[NH+](C)CC2)c1=O ZINC000033259813 568512816 /nfs/dbraw/zinc/51/28/16/568512816.db2.gz YQCMMVYFZAMUKK-UHFFFAOYSA-N 1 0 403.552 1.262 50 0 HDAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCN4CCOCC4)[C@H]3C[C@@]21O ZINC000020410984 568605205 /nfs/dbraw/zinc/60/52/05/568605205.db2.gz KIHWOIFCLKGLKQ-RSBIIAMVSA-N 1 0 410.555 1.186 50 0 biogenic HDAARO C[NH+]1CCN(CCCNC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 ZINC000020414917 568605948 /nfs/dbraw/zinc/60/59/48/568605948.db2.gz LUCATTWQBQAFBM-KRWDZBQOSA-N 1 0 417.583 1.299 50 0 HDAARO CC[NH+]1CCN([C@H](CNC(=O)C(=O)NCCCc2ccccc2)c2cccnc2)CC1 ZINC000020485539 568612981 /nfs/dbraw/zinc/61/29/81/568612981.db2.gz CSJRPBSIYSNZLC-JOCHJYFZSA-N 1 0 423.561 1.625 50 0 HDAARO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(c3nc(=N)n(C)[nH]3)CC2)cc1OC ZINC000225519523 568646121 /nfs/dbraw/zinc/64/61/21/568646121.db2.gz LGCILVWLFXPGFA-ZDUSSCGKSA-N 1 0 402.499 1.129 50 0 HDAARO NC(=O)c1cc(S(=O)(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000020981485 568654481 /nfs/dbraw/zinc/65/44/81/568654481.db2.gz XVWDZLSDLZVORI-UHFFFAOYSA-N 1 0 422.576 1.333 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2ccc(CN3CCCn4nc(C)cc43)cc2)CC1 ZINC000020995955 568656927 /nfs/dbraw/zinc/65/69/27/568656927.db2.gz IMJLNTFDUPMZEU-UHFFFAOYSA-N 1 0 410.566 1.969 50 0 HDAARO CSc1nc2nc(C)c(CC(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)c(C)n2n1 ZINC000225757910 568671888 /nfs/dbraw/zinc/67/18/88/568671888.db2.gz MEGKLAXMAKIGSG-MRXNPFEDSA-N 1 0 418.567 1.576 50 0 HDAARO CCCc1cc(=O)n2nc(N3CCC(C(=O)NCC[NH+](CC)CC)CC3)sc2n1 ZINC000021165828 568674704 /nfs/dbraw/zinc/67/47/04/568674704.db2.gz MGWZTBWYBNEJQK-UHFFFAOYSA-N 1 0 420.583 1.778 50 0 HDAARO Cc1cc(Cl)ccc1NC(=O)C(=O)Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1 ZINC000096006838 568683094 /nfs/dbraw/zinc/68/30/94/568683094.db2.gz HTVYTEQDDYNPPY-MRXNPFEDSA-N 1 0 405.886 1.879 50 0 HDAARO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000096012787 568685122 /nfs/dbraw/zinc/68/51/22/568685122.db2.gz DGPWKEJAEMXSFY-MRXNPFEDSA-N 1 0 400.504 1.183 50 0 HDAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(CN2CC(=O)N3CCC[C@H]3C2=O)cc1 ZINC000021527200 568709713 /nfs/dbraw/zinc/70/97/13/568709713.db2.gz BNSCCVOCRQNKDM-FQEVSTJZSA-N 1 0 412.534 1.626 50 0 HDAARO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000229592789 568714668 /nfs/dbraw/zinc/71/46/68/568714668.db2.gz BGOYLLGJYKIZPN-AQNXPRMDSA-N 1 0 400.567 1.813 50 0 HDAARO CC(=O)Nc1ccc(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)cc1 ZINC000056327895 568801563 /nfs/dbraw/zinc/80/15/63/568801563.db2.gz WHROZBYRYZSKSY-UHFFFAOYSA-N 1 0 402.520 1.746 50 0 HDAARO O=C(CNC(=O)NCc1ccc(F)cc1)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000029933143 568852363 /nfs/dbraw/zinc/85/23/63/568852363.db2.gz IDCYFOVDVDRBJW-KRWDZBQOSA-N 1 0 420.510 1.876 50 0 HDAARO O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000504051109 568864852 /nfs/dbraw/zinc/86/48/52/568864852.db2.gz SYKNUZNEAKWIRA-AABGKKOBSA-N 1 0 412.534 1.920 50 0 HDAARO CCCn1c2ccccc2n(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1=O ZINC000012614038 568871764 /nfs/dbraw/zinc/87/17/64/568871764.db2.gz AOKOGPYZBCKLGD-UHFFFAOYSA-N 1 0 408.506 1.999 50 0 HDAARO Cc1ccccc1[C@]1(CC(=O)N2CCN(C)[C@@H](C)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299758752 568873162 /nfs/dbraw/zinc/87/31/62/568873162.db2.gz OYBPZDYXTUJALO-MBSDFSHPSA-N 1 0 414.550 1.106 50 0 HDAARO Cc1nc(C)c(C(=O)NC[C@H]2CN(C3CC[NH+](C4CCC4)CC3)C(=O)CO2)s1 ZINC000299795095 568876259 /nfs/dbraw/zinc/87/62/59/568876259.db2.gz KTGONXWMJBDKOC-KRWDZBQOSA-N 1 0 406.552 1.734 50 0 HDAARO CCc1ocnc1C(=O)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299799122 568876478 /nfs/dbraw/zinc/87/64/78/568876478.db2.gz PRDXILLLLMAPFR-QGZVFWFLSA-N 1 0 404.511 1.316 50 0 HDAARO C[NH+](C)[C@@H](CNC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)c1cccs1 ZINC000025784882 568914943 /nfs/dbraw/zinc/91/49/43/568914943.db2.gz FKZBJSUJUPYABT-HNNXBMFYSA-N 1 0 420.560 1.986 50 0 HDAARO C[N@H+](CCNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O)Cc1ccccc1 ZINC000004110434 568943974 /nfs/dbraw/zinc/94/39/74/568943974.db2.gz ROFRSULLXRWSMK-UHFFFAOYSA-N 1 0 420.513 1.756 50 0 HDAARO CCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)CC1 ZINC000004316514 568962385 /nfs/dbraw/zinc/96/23/85/568962385.db2.gz QINOSIRMPHWLOJ-UHFFFAOYSA-N 1 0 400.458 1.143 50 0 HDAARO O=C([C@@H]1COc2cc(S(=O)(=O)NCC[NH+]3CCCC3)ccc2O1)N1CCCCC1 ZINC000015733727 568983244 /nfs/dbraw/zinc/98/32/44/568983244.db2.gz BYKCMVLJHJJYIV-IBGZPJMESA-N 1 0 423.535 1.213 50 0 HDAARO C[NH+](C)[C@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1cccc(F)c1 ZINC000012813526 568987387 /nfs/dbraw/zinc/98/73/87/568987387.db2.gz WLDAWGITMSVLKK-GOSISDBHSA-N 1 0 408.499 1.956 50 0 HDAARO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000008314164 568989636 /nfs/dbraw/zinc/98/96/36/568989636.db2.gz GDBZCHRDJGMRAM-UHFFFAOYSA-N 1 0 407.458 1.784 50 0 HDAARO CN(CC(=O)NCCC[N@H+](C)C1CCCCC1)c1nnc(N2CCCC2=O)s1 ZINC000015777278 568999731 /nfs/dbraw/zinc/99/97/31/568999731.db2.gz CXKXVEARIVPOBJ-UHFFFAOYSA-N 1 0 408.572 1.872 50 0 HDAARO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2)cc1 ZINC000015864189 569016428 /nfs/dbraw/zinc/01/64/28/569016428.db2.gz AUOAJTNBAKEYNN-UHFFFAOYSA-N 1 0 417.531 1.708 50 0 HDAARO O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1)N1CC[NH2+]CC1 ZINC000015864193 569016464 /nfs/dbraw/zinc/01/64/64/569016464.db2.gz AQTDNCVMOWGPCL-UHFFFAOYSA-N 1 0 407.923 1.963 50 0 HDAARO CCC[NH+]1CCN(C(=O)Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)CC1 ZINC000035375514 569034000 /nfs/dbraw/zinc/03/40/00/569034000.db2.gz KRQUFKNYHRUXMJ-UHFFFAOYSA-N 1 0 424.549 1.124 50 0 HDAARO CCC[NH+]1CCN(C(=O)CCc2c(C)nn(-c3ccc4nnc(C)n4n3)c2C)CC1 ZINC000035510735 569042961 /nfs/dbraw/zinc/04/29/61/569042961.db2.gz BTAKMMBYGBTKFJ-UHFFFAOYSA-N 1 0 410.526 1.722 50 0 HDAARO COc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)NCC[NH+](C)C)C3)no2)cc1 ZINC000035989306 569074405 /nfs/dbraw/zinc/07/44/05/569074405.db2.gz HNNAIHIGBQBTFA-MRXNPFEDSA-N 1 0 400.479 1.880 50 0 HDAARO COCCN(CCC(=O)NCC[NH+](C)C)C(=O)c1cc(-c2cccc(OC)c2)on1 ZINC000036002456 569075260 /nfs/dbraw/zinc/07/52/60/569075260.db2.gz XSLLTXFRXWCNLM-UHFFFAOYSA-N 1 0 418.494 1.507 50 0 HDAARO Cc1ccc(Cn2c(=O)c(C(=O)NCC[NH+](C)C)nn(-c3ccc(C)cc3)c2=O)cc1 ZINC000036086629 569088156 /nfs/dbraw/zinc/08/81/56/569088156.db2.gz UNKUGCPXXZABFN-UHFFFAOYSA-N 1 0 421.501 1.351 50 0 HDAARO Cn1c(=O)c(C(=O)NCCC[NH+]2CCCCCC2)nn(-c2ccc(Cl)cc2)c1=O ZINC000064966908 569137565 /nfs/dbraw/zinc/13/75/65/569137565.db2.gz RTUWXZOOMSEMNL-UHFFFAOYSA-N 1 0 419.913 1.581 50 0 HDAARO Cc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC(C)C)c2)cc1 ZINC000065025165 569156152 /nfs/dbraw/zinc/15/61/52/569156152.db2.gz OUHYHBJGHKGDRV-UHFFFAOYSA-N 1 0 417.535 1.739 50 0 HDAARO Cc1noc(C)c1S(=O)(=O)N1CCC([C@@H](C)C(=O)NCC[NH+]2CCCC2)CC1 ZINC000065061523 569165836 /nfs/dbraw/zinc/16/58/36/569165836.db2.gz SVXTYNLRXUQBRQ-CQSZACIVSA-N 1 0 412.556 1.540 50 0 HDAARO COCCNC1=[NH+]CCNC12CCN(S(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000065074711 569169139 /nfs/dbraw/zinc/16/91/39/569169139.db2.gz POVXJSRHRHYGJO-UHFFFAOYSA-N 1 0 400.932 1.101 50 0 biogenic HDAARO CC[NH+](CC)CCCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000006918213 569181531 /nfs/dbraw/zinc/18/15/31/569181531.db2.gz JJMNHJXVFVTTSQ-IRXDYDNUSA-N 1 0 424.592 1.829 50 0 HDAARO C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)CC1 ZINC000065195459 569194262 /nfs/dbraw/zinc/19/42/62/569194262.db2.gz JUDOGZSAHCYYCY-SFHVURJKSA-N 1 0 410.518 1.503 50 0 HDAARO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C1CC1 ZINC000170599438 569242716 /nfs/dbraw/zinc/24/27/16/569242716.db2.gz JPLUKDLANUMZGK-HXUWFJFHSA-N 1 0 406.486 1.717 50 0 HDAARO CCn1c(=O)c2ccccc2n(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1=O ZINC000010218153 569253631 /nfs/dbraw/zinc/25/36/31/569253631.db2.gz OQVLPQCPRNPOBX-SFHVURJKSA-N 1 0 410.474 1.729 50 0 HDAARO COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000089840190 569266909 /nfs/dbraw/zinc/26/69/09/569266909.db2.gz ONAJOEXATCSVEG-INIZCTEOSA-N 1 0 412.508 1.659 50 0 HDAARO CCCn1c(N)c(C(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c(=O)n(C)c1=O ZINC000017307954 569283935 /nfs/dbraw/zinc/28/39/35/569283935.db2.gz KGIRUWABGSWCGT-CQSZACIVSA-N 1 0 420.535 1.465 50 0 HDAARO COc1ccccc1C(=O)Nc1cc2c(cc1N1CC[NH2+]C[C@H]1C)n(C)c(=O)n2C ZINC000575623806 569285478 /nfs/dbraw/zinc/28/54/78/569285478.db2.gz FQWDVNSBYDXPIO-CQSZACIVSA-N 1 0 409.490 1.936 50 0 in-vitro HDAARO CCOCC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCOC2)C[C@H]1C ZINC000253630117 569383279 /nfs/dbraw/zinc/38/32/79/569383279.db2.gz HXQYUYOWEPXJMY-MSOLQXFVSA-N 1 0 402.543 1.867 50 0 HDAARO O=C(CN1C[C@H](CO)Oc2ccccc21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000079106756 569427746 /nfs/dbraw/zinc/42/77/46/569427746.db2.gz HOLFUOJJCAAQKO-GOSISDBHSA-N 1 0 403.523 1.398 50 0 HDAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000067287718 571065592 /nfs/dbraw/zinc/06/55/92/571065592.db2.gz NDHXXHHFCLBJHO-FQEVSTJZSA-N 1 0 416.522 1.894 50 0 HDAARO Cc1nn(C)c(C)c1CCC(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670473467 571101976 /nfs/dbraw/zinc/10/19/76/571101976.db2.gz ZVZVLQUUBYODFJ-JWLIYLPMSA-N 1 0 407.562 1.653 50 0 HDAARO CCC[NH+]1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc3c(c1)OCCO3)C2=O ZINC000008769188 571116323 /nfs/dbraw/zinc/11/63/23/571116323.db2.gz BTNBRBDKMKEURT-UHFFFAOYSA-N 1 0 402.451 1.193 50 0 HDAARO CN1CC[N@H+](CCCNC(=O)c2cnc3sccn3c2=O)[C@H](c2ccccc2)C1 ZINC000040081479 571156040 /nfs/dbraw/zinc/15/60/40/571156040.db2.gz SALNJIQNGNKVOY-SFHVURJKSA-N 1 0 411.531 1.865 50 0 HDAARO O=C(CNC(=O)c1cnc2ccccc2c1O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000040105406 571166195 /nfs/dbraw/zinc/16/61/95/571166195.db2.gz PDYWGCQCHXYFEE-KRWDZBQOSA-N 1 0 404.470 1.649 50 0 HDAARO Cn1cc(S(=O)(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cc1C(N)=O ZINC000040118781 571174982 /nfs/dbraw/zinc/17/49/82/571174982.db2.gz YBJVAIFVXGCJMB-LJQANCHMSA-N 1 0 418.563 1.875 50 0 HDAARO CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)c1 ZINC000009121333 571225726 /nfs/dbraw/zinc/22/57/26/571225726.db2.gz JVLBUCDNJDMIMH-UHFFFAOYSA-N 1 0 410.525 1.402 50 0 HDAARO O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000009385571 571254047 /nfs/dbraw/zinc/25/40/47/571254047.db2.gz FQSMHTCTNCFRCE-FQEVSTJZSA-N 1 0 420.513 1.934 50 0 HDAARO Cc1cn2c(nc3c2c(=O)n(Cc2ccccc2C)c(=O)n3C)n1CCC[NH+](C)C ZINC000010233391 571297644 /nfs/dbraw/zinc/29/76/44/571297644.db2.gz LUKBEOZRKPSDIJ-UHFFFAOYSA-N 1 0 408.506 1.766 50 0 HDAARO O[C@@H](COc1cccc(CN2CCC([NH+]3CCCC3)CC2)c1)CN1CCOCC1 ZINC000012429721 1073946112 /nfs/dbraw/zinc/94/61/12/1073946112.db2.gz PLPAPQVUKPQRCG-JOCHJYFZSA-N 1 0 403.567 1.819 50 0 HDAARO O=C(NCC[NH+]1CCCC1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000006936201 132321080 /nfs/dbraw/zinc/32/10/80/132321080.db2.gz YOXODHVWUKLNEI-QGZVFWFLSA-N 1 0 411.554 1.981 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@@H]1c1ccc(C)cc1 ZINC000009419402 132339495 /nfs/dbraw/zinc/33/94/95/132339495.db2.gz QKHUJAWVAXBQMN-WOJBJXKFSA-N 1 0 421.501 1.918 50 0 HDAARO CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000032268103 519698984 /nfs/dbraw/zinc/69/89/84/519698984.db2.gz AEPMRHYULFQQRU-GHTZIAJQSA-N 1 0 400.523 1.688 50 0 HDAARO COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022766223 524044959 /nfs/dbraw/zinc/04/49/59/524044959.db2.gz XRIPBCQKWUNKFW-LJQANCHMSA-N 1 0 416.547 1.478 50 0 HDAARO COc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CC2)cc1Cl ZINC000045944241 525013187 /nfs/dbraw/zinc/01/31/87/525013187.db2.gz JCACUNOLJDKRLT-UHFFFAOYSA-N 1 0 401.916 1.324 50 0 HDAARO NC(=O)CC[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 ZINC000020517555 526876985 /nfs/dbraw/zinc/87/69/85/526876985.db2.gz LNGQLARGMLVOBE-PBWVOLNLSA-N 1 0 410.474 1.005 50 0 HDAARO COC(=O)Cc1ccc(NC(=S)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1 ZINC000000987520 557133158 /nfs/dbraw/zinc/13/31/58/557133158.db2.gz LFOAFEFNZGFVQE-UHFFFAOYSA-N 1 0 418.563 1.905 50 0 HDAARO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1ccco1 ZINC000002357384 557339833 /nfs/dbraw/zinc/33/98/33/557339833.db2.gz ZYZSZLFMTCDSCE-RBUKOAKNSA-N 1 0 410.474 1.804 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000004553069 557566331 /nfs/dbraw/zinc/56/63/31/557566331.db2.gz MGVUFWGLNJOQSF-QGZVFWFLSA-N 1 0 418.925 1.778 50 0 HDAARO COC(=O)c1ccc(NC(=O)CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1 ZINC000004741256 557590684 /nfs/dbraw/zinc/59/06/84/557590684.db2.gz YFQWVOSAJZUHSB-UHFFFAOYSA-N 1 0 402.495 1.218 50 0 HDAARO COc1cc(C[NH2+]CCCN2CCOCC2)cc(Br)c1OCC(N)=O ZINC000005245922 557641333 /nfs/dbraw/zinc/64/13/33/557641333.db2.gz JSROJUULGDBVRL-UHFFFAOYSA-N 1 0 416.316 1.134 50 0 HDAARO COCCn1c(C)cc(O)c([C@@H](c2ccccc2OC)N2CC[NH+](C)CC2)c1=O ZINC000022697612 557784333 /nfs/dbraw/zinc/78/43/33/557784333.db2.gz BDIXUSJMWVAMQV-OAQYLSRUSA-N 1 0 401.507 1.854 50 0 HDAARO COc1cccc(CNC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)c1 ZINC000022796578 557823375 /nfs/dbraw/zinc/82/33/75/557823375.db2.gz MHHWBBCZSTZRTN-JOCHJYFZSA-N 1 0 424.545 1.725 50 0 HDAARO Cn1c2nc3n(c2c(=O)n(CC[NH+]2CCCCC2)c1=O)CCCN3Cc1ccco1 ZINC000010105097 557854950 /nfs/dbraw/zinc/85/49/50/557854950.db2.gz RRNDUVYBZIDIEF-UHFFFAOYSA-N 1 0 412.494 1.386 50 0 HDAARO COC(=O)c1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1 ZINC000019743705 558264267 /nfs/dbraw/zinc/26/42/67/558264267.db2.gz FRDQCGBKUYGKBM-UHFFFAOYSA-N 1 0 423.473 1.689 50 0 HDAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3cccc(OCCO)c3)CC2)O1)[C@@H]1CCCO1 ZINC000012182968 558343535 /nfs/dbraw/zinc/34/35/35/558343535.db2.gz LVPWTIMEPDYLOD-SFTDATJTSA-N 1 0 418.534 1.867 50 0 HDAARO COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CC[NH+](C(C)C)CC2)cc1C ZINC000020201422 558345638 /nfs/dbraw/zinc/34/56/38/558345638.db2.gz FXZPBILBGNHMGM-LJQANCHMSA-N 1 0 402.539 1.247 50 0 HDAARO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(O)c(OC)c1)CC2 ZINC000012209946 558353769 /nfs/dbraw/zinc/35/37/69/558353769.db2.gz FYUGFYHDZZGEMI-CQSZACIVSA-N 1 0 403.483 1.264 50 0 HDAARO Cn1c2nc(CN3CC[NH+](C)CC3)n(Cc3c(F)cccc3Cl)c2c(=O)[nH]c1=O ZINC000020546580 558385864 /nfs/dbraw/zinc/38/58/64/558385864.db2.gz GRWNJENTXTVQJE-UHFFFAOYSA-N 1 0 420.876 1.012 50 0 HDAARO CN(Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000012434310 558408059 /nfs/dbraw/zinc/40/80/59/558408059.db2.gz WFHGOISMBAXIQR-LJQANCHMSA-N 1 0 410.584 1.772 50 0 HDAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH+]3CCC4(CC3)OCCO4)C2=O)c1 ZINC000012574591 558430454 /nfs/dbraw/zinc/43/04/54/558430454.db2.gz VSJHQLATYBZOIH-FQEVSTJZSA-N 1 0 408.470 1.527 50 0 HDAARO COc1ccc(-c2nc(SCCC[NH+](C)C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000013682842 558567710 /nfs/dbraw/zinc/56/77/10/558567710.db2.gz LXHBGEULUBHZOH-UHFFFAOYSA-N 1 0 415.519 1.747 50 0 HDAARO O=C(CN1CCN(c2ccccn2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000024082704 558588152 /nfs/dbraw/zinc/58/81/52/558588152.db2.gz UFOMUAJQVYBXSF-UHFFFAOYSA-N 1 0 401.555 1.355 50 0 HDAARO O=C(CC[NH+]1CCN(c2ccccc2O)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000024879700 558618878 /nfs/dbraw/zinc/61/88/78/558618878.db2.gz FWIMKBMITMSURQ-UHFFFAOYSA-N 1 0 415.494 1.190 50 0 HDAARO Cn1ncc2c1ncnc2N1CC[NH+](CCC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000025935540 558652523 /nfs/dbraw/zinc/65/25/23/558652523.db2.gz RFGLMMXNMDOZSK-UHFFFAOYSA-N 1 0 423.525 1.826 50 0 HDAARO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](C/C(C)=C/c1ccco1)CC2 ZINC000014540892 558659869 /nfs/dbraw/zinc/65/98/69/558659869.db2.gz BOETYXGDULBZMW-DTQAZKPQSA-N 1 0 419.478 1.601 50 0 HDAARO Cc1c(C[NH+]2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)cnn1C ZINC000014732423 558665952 /nfs/dbraw/zinc/66/59/52/558665952.db2.gz CPEOOFHUCWVBAH-UHFFFAOYSA-N 1 0 410.522 1.985 50 0 HDAARO CSc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CCCC[NH3+])C(=O)N3C2)cc1 ZINC000014749098 558670154 /nfs/dbraw/zinc/67/01/54/558670154.db2.gz BYOLVKXXVMPCFJ-BPUTZDHNSA-N 1 0 405.524 1.127 50 0 HDAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C)[NH2+][C@]4(c5ccccc5NC4=O)[C@H]3C2=O)cc1 ZINC000015306475 558731366 /nfs/dbraw/zinc/73/13/66/558731366.db2.gz APSOXGPIXXHVNR-VEXUKICWSA-N 1 0 404.426 1.590 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016022091 558767891 /nfs/dbraw/zinc/76/78/91/558767891.db2.gz IISFTMMHVZGFKS-LJPSSGMGSA-N 1 0 423.922 1.460 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016025089 558768772 /nfs/dbraw/zinc/76/87/72/558768772.db2.gz KMHFBXBAEGQZNZ-GBPOLFSSSA-N 1 0 423.444 1.435 50 0 HDAARO CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 ZINC000035913013 558795932 /nfs/dbraw/zinc/79/59/32/558795932.db2.gz KDZAFXWTMWUWBT-UHFFFAOYSA-N 1 0 403.460 1.604 50 0 HDAARO CCCc1nnc(C(=O)Nc2ccc(C(=O)NCCN3CC[NH+](C)CC3)cc2)s1 ZINC000033011199 558830496 /nfs/dbraw/zinc/83/04/96/558830496.db2.gz QFVJQEQJXCSMIJ-UHFFFAOYSA-N 1 0 416.551 1.720 50 0 HDAARO CCOc1cccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 ZINC000018143635 558832134 /nfs/dbraw/zinc/83/21/34/558832134.db2.gz IQSKZGFWDYJBGE-SFHVURJKSA-N 1 0 417.487 1.197 50 0 HDAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1Cl ZINC000018250387 558834754 /nfs/dbraw/zinc/83/47/54/558834754.db2.gz XXTCHQYCFPCHIN-QGZVFWFLSA-N 1 0 421.906 1.760 50 0 HDAARO Cc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)N(C)C)cc1 ZINC000033085114 558869052 /nfs/dbraw/zinc/86/90/52/558869052.db2.gz JJCBZFKTLCOTRT-UHFFFAOYSA-N 1 0 410.584 1.990 50 0 HDAARO COC(=O)CN(C)C(=O)C1CC[NH+](C2CCN(Cc3cccc(C)n3)CC2)CC1 ZINC000055270291 558878077 /nfs/dbraw/zinc/87/80/77/558878077.db2.gz KYFYKGYGMADERR-UHFFFAOYSA-N 1 0 402.539 1.698 50 0 HDAARO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCCOC[C@@H]2CCCO2)CC1 ZINC000058010596 558895058 /nfs/dbraw/zinc/89/50/58/558895058.db2.gz ARIHRWGBNJHGEY-KRWDZBQOSA-N 1 0 404.511 1.079 50 0 HDAARO CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000058151910 558902522 /nfs/dbraw/zinc/90/25/22/558902522.db2.gz GEUNEENKXSVPSK-IAGOWNOFSA-N 1 0 412.556 1.920 50 0 HDAARO Cc1ccncc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071747580 558908759 /nfs/dbraw/zinc/90/87/59/558908759.db2.gz BNJQAVVRBGVOAN-SFHVURJKSA-N 1 0 400.523 1.565 50 0 HDAARO CN(CC1(CO)CC1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071752209 558909274 /nfs/dbraw/zinc/90/92/74/558909274.db2.gz SRGNKYKCVHBTOB-FQEVSTJZSA-N 1 0 400.567 1.989 50 0 HDAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCN(C)CC4)C3)CC2)no1 ZINC000071754398 558909336 /nfs/dbraw/zinc/90/93/36/558909336.db2.gz MZKBXLBGPQLOCJ-KRWDZBQOSA-N 1 0 403.527 1.074 50 0 HDAARO CC[NH+](CC)CCCNC(=O)CCc1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000033062679 558956319 /nfs/dbraw/zinc/95/63/19/558956319.db2.gz WUFZQGCAVIVVPO-UHFFFAOYSA-N 1 0 408.524 1.824 50 0 HDAARO COc1ccccc1NC(=O)N1CCN(c2cc(C)[nH+]c(N3CCOCC3)n2)CC1 ZINC000064800185 558965778 /nfs/dbraw/zinc/96/57/78/558965778.db2.gz MSPDTMODRSIDFX-UHFFFAOYSA-N 1 0 412.494 1.984 50 0 HDAARO COc1cccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)c1 ZINC000064800404 558966023 /nfs/dbraw/zinc/96/60/23/558966023.db2.gz LSZPWAVERLHXNB-UHFFFAOYSA-N 1 0 412.494 1.984 50 0 HDAARO Cc1nc(N2CCOCC2)cc(NCCNS(=O)(=O)c2ccc(Cl)cc2)[nH+]1 ZINC000065362962 558973900 /nfs/dbraw/zinc/97/39/00/558973900.db2.gz NFQBUCSLBRKBIV-UHFFFAOYSA-N 1 0 411.915 1.665 50 0 HDAARO C[NH+]1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)CC1 ZINC000065364704 558975812 /nfs/dbraw/zinc/97/58/12/558975812.db2.gz LIWDBDJKIWNBHA-LJQANCHMSA-N 1 0 407.580 1.871 50 0 HDAARO CC[NH+]1CCN(CCCN2CC3(CCN(Cc4cc(C)no4)CC3)OC2=O)CC1 ZINC000072408388 558977456 /nfs/dbraw/zinc/97/74/56/558977456.db2.gz ZWNSUAPBCCUMBS-UHFFFAOYSA-N 1 0 405.543 1.797 50 0 HDAARO CC[NH+](CC)CCNC(=O)Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O ZINC000021944205 558978239 /nfs/dbraw/zinc/97/82/39/558978239.db2.gz QCTSHDMLQVRULF-UHFFFAOYSA-N 1 0 408.502 1.670 50 0 HDAARO CC(C)[NH+]1CCN(CCN2CC3(CCN(Cc4nccn4C)CC3)OC2=O)CC1 ZINC000072469369 558983285 /nfs/dbraw/zinc/98/32/85/558983285.db2.gz OPMCHJQEAFQXKV-UHFFFAOYSA-N 1 0 404.559 1.233 50 0 HDAARO [NH3+]C1(C(=O)Nc2ccc(F)c(N3CCS(=O)(=O)CC3)c2)Cc2ccccc2C1 ZINC000097019869 558988115 /nfs/dbraw/zinc/98/81/15/558988115.db2.gz KRUMNEUVWDFXAU-UHFFFAOYSA-N 1 0 403.479 1.495 50 0 HDAARO Cc1cccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)c1 ZINC000067613398 558989098 /nfs/dbraw/zinc/98/90/98/558989098.db2.gz HKZZEHWQOKVQGJ-UHFFFAOYSA-N 1 0 417.535 1.441 50 0 HDAARO CC(C)([NH3+])C(=O)N1CCC(n2nccc2NS(=O)(=O)Cc2ccccc2)CC1 ZINC000067654327 558990767 /nfs/dbraw/zinc/99/07/67/558990767.db2.gz JWEBRCKPONLLSK-UHFFFAOYSA-N 1 0 405.524 1.726 50 0 HDAARO Cc1nccc(N2CCC3(CN(CCCN4CC[C@@H]([NH+](C)C)C4)C(=O)O3)CC2)n1 ZINC000077300306 559000829 /nfs/dbraw/zinc/00/08/29/559000829.db2.gz NXJOUXVZVAMNRI-GOSISDBHSA-N 1 0 402.543 1.602 50 0 HDAARO CC(C)[NH+]1CCN(CCCN2CC3(CCN(c4ncccn4)CC3)OC2=O)CC1 ZINC000077439365 559005404 /nfs/dbraw/zinc/00/54/04/559005404.db2.gz ZOVZZYBYYOSSCB-UHFFFAOYSA-N 1 0 402.543 1.684 50 0 HDAARO Cc1cn2cc(CNC(=O)c3ccc(CN4CCC[N@@H+](C)CC4)[nH]c3=O)nc2s1 ZINC000077455611 559005777 /nfs/dbraw/zinc/00/57/77/559005777.db2.gz FLERYUOQMYXQOL-UHFFFAOYSA-N 1 0 414.535 1.460 50 0 HDAARO C[NH+](C)[C@@H]1CCN(Cc2ccc(C(=O)NCc3cnc4ccccc4c3)c(=O)[nH]2)C1 ZINC000077504113 559007535 /nfs/dbraw/zinc/00/75/35/559007535.db2.gz ODHVDLSOELVJIW-LJQANCHMSA-N 1 0 405.502 1.989 50 0 HDAARO CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1=O ZINC000082093067 559037316 /nfs/dbraw/zinc/03/73/16/559037316.db2.gz DUTBXZDQUMIYRR-NRFANRHFSA-N 1 0 412.578 1.706 50 0 HDAARO CCn1nccc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082096416 559037332 /nfs/dbraw/zinc/03/73/32/559037332.db2.gz SPGDMNQQDGESEY-GOSISDBHSA-N 1 0 424.549 1.931 50 0 HDAARO O=C([C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CCNC(=O)C1 ZINC000082109166 559038839 /nfs/dbraw/zinc/03/88/39/559038839.db2.gz DEMKSYPUUKAJCY-MRXNPFEDSA-N 1 0 411.506 1.467 50 0 HDAARO CC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082119918 559039243 /nfs/dbraw/zinc/03/92/43/559039243.db2.gz YSZJRTXBYXYIRF-QGZVFWFLSA-N 1 0 413.522 1.761 50 0 HDAARO Cn1ccnc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082125476 559039709 /nfs/dbraw/zinc/03/97/09/559039709.db2.gz QNVCIIUJSWWRTC-KRWDZBQOSA-N 1 0 410.522 1.448 50 0 HDAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3cccnn3)CC2)C1 ZINC000082137055 559040358 /nfs/dbraw/zinc/04/03/58/559040358.db2.gz ZQGLAZOMAJHZLU-QGZVFWFLSA-N 1 0 408.506 1.505 50 0 HDAARO CC[NH+](CC)CCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC000033292267 559046157 /nfs/dbraw/zinc/04/61/57/559046157.db2.gz RNKNICNBLMCGBA-UHFFFAOYSA-N 1 0 421.523 1.593 50 0 HDAARO O=C1C2(c3ccccc3)CN(CCCO)CC1(c1ccccc1)C[NH+](CCCO)C2 ZINC000091328702 559071061 /nfs/dbraw/zinc/07/10/61/559071061.db2.gz KTOWHSBTEFFPRK-UHFFFAOYSA-N 1 0 408.542 1.828 50 0 HDAARO COc1ccc([C@@H](O)C(=O)N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cc1 ZINC000095357539 559079865 /nfs/dbraw/zinc/07/98/65/559079865.db2.gz KSEXNQRFRMXZEB-HXUWFJFHSA-N 1 0 403.523 1.521 50 0 HDAARO CC[NH+]1CCN(C[C@H](O)COc2cccc(CN(C)Cc3cc(C)on3)c2)CC1 ZINC000095515310 559084446 /nfs/dbraw/zinc/08/44/46/559084446.db2.gz PCDIMEVBWDJHEG-NRFANRHFSA-N 1 0 402.539 1.992 50 0 HDAARO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)c1 ZINC000095523712 559085602 /nfs/dbraw/zinc/08/56/02/559085602.db2.gz LHZISDCVTZIQKT-SFHVURJKSA-N 1 0 403.523 1.662 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000100093391 559129812 /nfs/dbraw/zinc/12/98/12/559129812.db2.gz ARJAEZNDZNXWTM-KRWDZBQOSA-N 1 0 402.470 1.263 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2=O)CC1 ZINC000101715980 559147831 /nfs/dbraw/zinc/14/78/31/559147831.db2.gz DRZLHMKYKHGEMZ-SFHVURJKSA-N 1 0 416.497 1.259 50 0 HDAARO COc1cccc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@@H]3C(=O)N(CC[NH+](C)C)C(=O)[C@@H]23)c1OC ZINC000248010192 559259220 /nfs/dbraw/zinc/25/92/20/559259220.db2.gz PDGGZHFADDVANG-NZFLSMEMSA-N 1 0 413.474 1.235 50 0 HDAARO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C ZINC000011998471 559270430 /nfs/dbraw/zinc/27/04/30/559270430.db2.gz UVCKXOZWTZBBGO-CQSZACIVSA-N 1 0 417.553 1.070 50 0 HDAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@]21c2cccc(Cl)c2NC1=O ZINC000005348543 560571004 /nfs/dbraw/zinc/57/10/04/560571004.db2.gz JYXHNNPQVSNEBQ-LPKYLRCGSA-N 1 0 418.881 1.124 50 0 HDAARO C[N@@H+]1CCN(CCNC(=O)CCS(=O)(=O)C2CCCC2)[C@H](c2ccccc2)C1 ZINC000062580546 560631449 /nfs/dbraw/zinc/63/14/49/560631449.db2.gz CWCZLKCCSSCBCH-FQEVSTJZSA-N 1 0 407.580 1.839 50 0 HDAARO Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000013669229 560825333 /nfs/dbraw/zinc/82/53/33/560825333.db2.gz VSGUASOXIQPZCB-UHFFFAOYSA-N 1 0 423.579 1.868 50 0 HDAARO O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000102822726 560829649 /nfs/dbraw/zinc/82/96/49/560829649.db2.gz LKOJXEHBHSHEFR-HDICACEKSA-N 1 0 405.539 1.703 50 0 HDAARO CCOC(=O)c1c2c(sc1NC(=O)C(=O)NCCC[NH+](C)C)COC(C)(C)C2 ZINC000024545041 560844744 /nfs/dbraw/zinc/84/47/44/560844744.db2.gz ARSWEBKHHYLZQJ-UHFFFAOYSA-N 1 0 411.524 1.783 50 0 HDAARO Cc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C(N)=O)CC2)c(Br)c1 ZINC000048311860 568436989 /nfs/dbraw/zinc/43/69/89/568436989.db2.gz GZQTXBVCSCAXDE-UHFFFAOYSA-N 1 0 418.357 1.623 50 0 HDAARO Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000021156832 568462225 /nfs/dbraw/zinc/46/22/25/568462225.db2.gz NQVAXIQXMLSYHP-SFHVURJKSA-N 1 0 421.904 1.861 50 0 HDAARO O=C(NCC[NH+]1CCCCC1)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000033315143 568513706 /nfs/dbraw/zinc/51/37/06/568513706.db2.gz OTBYAMSBUWKVMD-HNNXBMFYSA-N 1 0 406.556 1.483 50 0 HDAARO O=C(Cc1ccccc1Br)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000390829696 568591961 /nfs/dbraw/zinc/59/19/61/568591961.db2.gz FZMHFKLKVCEBDA-OAHLLOKOSA-N 1 0 415.353 1.759 50 0 HDAARO CCC[NH+]1CCN(CCCNC(=O)COc2cc(=O)n(C)c3ccccc23)CC1 ZINC000020280249 568596638 /nfs/dbraw/zinc/59/66/38/568596638.db2.gz TUDLICIPZZDYIF-UHFFFAOYSA-N 1 0 400.523 1.451 50 0 HDAARO CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCC[NH+](CC)CC)CC1 ZINC000020287887 568597464 /nfs/dbraw/zinc/59/74/64/568597464.db2.gz OAHJPOATIDDZAC-IEBWSBKVSA-N 1 0 423.627 1.389 50 0 HDAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CN2CNc3c(c(=O)n(C)c(=O)n3C)C2)o1 ZINC000020320248 568598716 /nfs/dbraw/zinc/59/87/16/568598716.db2.gz AIFWKKCDAPVQNN-OAHLLOKOSA-N 1 0 401.511 1.827 50 0 HDAARO Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1CN1CCN(c2ncccn2)CC1 ZINC000095475962 568630342 /nfs/dbraw/zinc/63/03/42/568630342.db2.gz MWRAWNOEIAUWOT-UHFFFAOYSA-N 1 0 412.538 1.579 50 0 HDAARO C[NH+]1CCN([C@H](CNC(=O)c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1 ZINC000020614351 568637907 /nfs/dbraw/zinc/63/79/07/568637907.db2.gz SKNQYCFGDLVNBV-QGZVFWFLSA-N 1 0 411.458 1.863 50 0 HDAARO CCC[NH+]1CCN(CCCNC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)CC1 ZINC000020723479 568640596 /nfs/dbraw/zinc/64/05/96/568640596.db2.gz QNPBWGUNAAEUCZ-UHFFFAOYSA-N 1 0 411.550 1.753 50 0 HDAARO C[NH+]1CCN(CCCNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)CC1 ZINC000021019286 568658006 /nfs/dbraw/zinc/65/80/06/568658006.db2.gz NYZLBBSEDRXOSG-UHFFFAOYSA-N 1 0 404.536 1.597 50 0 HDAARO O=C(NCCC[NH+]1CCCC1)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000021026799 568658753 /nfs/dbraw/zinc/65/87/53/568658753.db2.gz SMVFPIQCKQZHFE-HNNXBMFYSA-N 1 0 406.556 1.483 50 0 HDAARO CSCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000095964897 568670853 /nfs/dbraw/zinc/67/08/53/568670853.db2.gz OMHCQGGFKNGUAV-UHFFFAOYSA-N 1 0 405.973 1.468 50 0 HDAARO CC[NH+](CC)CCCNC(=O)c1ccc(CN2CC(=O)N3CCC[C@H]3C2=O)cc1 ZINC000021526970 568709427 /nfs/dbraw/zinc/70/94/27/568709427.db2.gz PWSOLHPJDXVWFY-IBGZPJMESA-N 1 0 400.523 1.482 50 0 HDAARO CC[NH+](CC)CCNC(=O)c1ccc(CN2CC(=O)N3CCCC[C@H]3C2=O)cc1 ZINC000021528263 568709925 /nfs/dbraw/zinc/70/99/25/568709925.db2.gz GAAPCJMMGUQRMH-IBGZPJMESA-N 1 0 400.523 1.482 50 0 HDAARO CCC[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000021532179 568711294 /nfs/dbraw/zinc/71/12/94/568711294.db2.gz OGONWCBHYVOGGW-UHFFFAOYSA-N 1 0 422.551 1.136 50 0 HDAARO COc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)c1 ZINC000021795231 568753734 /nfs/dbraw/zinc/75/37/34/568753734.db2.gz UEMQKWMFHAEHCG-UHFFFAOYSA-N 1 0 412.494 1.984 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)N(C)C(=O)[C@@H]2CCCCN32)CC1 ZINC000021938623 568762868 /nfs/dbraw/zinc/76/28/68/568762868.db2.gz QIZMWIHEUCNAEY-FQEVSTJZSA-N 1 0 413.566 1.779 50 0 HDAARO CC[NH+]1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)CC1 ZINC000005896432 568828630 /nfs/dbraw/zinc/82/86/30/568828630.db2.gz QYDQXITXFSWMOK-UHFFFAOYSA-N 1 0 416.913 1.277 50 0 HDAARO Cc1cc(C)n(CCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)n1 ZINC000012595765 568868751 /nfs/dbraw/zinc/86/87/51/568868751.db2.gz BEAVCMPJJLAOHQ-UHFFFAOYSA-N 1 0 419.551 1.256 50 0 HDAARO Cc1ncccc1C(=O)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299769148 568874040 /nfs/dbraw/zinc/87/40/40/568874040.db2.gz JYLGSWZAVKIEKF-LJQANCHMSA-N 1 0 400.523 1.469 50 0 HDAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCN2CCOCC2)CC1 ZINC000299774499 568874607 /nfs/dbraw/zinc/87/46/07/568874607.db2.gz JQFWYAUWGRMQBC-NRFANRHFSA-N 1 0 421.513 1.229 50 0 HDAARO Cc1nc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cs1 ZINC000299781912 568875253 /nfs/dbraw/zinc/87/52/53/568875253.db2.gz LYCXRYYSCCIIEX-KRWDZBQOSA-N 1 0 406.552 1.531 50 0 HDAARO CCC[N@@H+]1CC[C@H](CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000058015483 568876354 /nfs/dbraw/zinc/87/63/54/568876354.db2.gz ZTJHYBDDEOBPFC-LJQANCHMSA-N 1 0 423.579 1.488 50 0 HDAARO COCCN(CC[NH+](C)C)C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000083851022 568919708 /nfs/dbraw/zinc/91/97/08/568919708.db2.gz BNMCANFZKYVZHA-UHFFFAOYSA-N 1 0 411.568 1.270 50 0 HDAARO Cn1nc(C(F)F)cc1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670453457 568928974 /nfs/dbraw/zinc/92/89/74/568928974.db2.gz ONIIYPSTXOAUGB-TUVDCLKLSA-N 1 0 401.461 1.655 50 0 HDAARO CSCC[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@H](C)C(=O)Nc2ccc(F)cc2)CC1 ZINC000004081220 568939037 /nfs/dbraw/zinc/93/90/37/568939037.db2.gz RZLDOOBWGPLSOX-DYVFJYSZSA-N 1 0 424.542 1.588 50 0 biogenic HDAARO CC(C)[NH+]1CCC(N2CCN(Cc3cccc(OCCO)c3)C[C@H]2CCO)CC1 ZINC000104408300 569008516 /nfs/dbraw/zinc/00/85/16/569008516.db2.gz CUZDEKPCWNCESG-JOCHJYFZSA-N 1 0 405.583 1.799 50 0 HDAARO COc1ccc([C@@H](CNC(=O)Cn2cnc3c(cnn3C)c2=O)[NH+]2CCCC2)cc1 ZINC000012935306 569026552 /nfs/dbraw/zinc/02/65/52/569026552.db2.gz MURKHYKYOVCDOK-GOSISDBHSA-N 1 0 410.478 1.092 50 0 HDAARO O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000575608327 569032201 /nfs/dbraw/zinc/03/22/01/569032201.db2.gz SAZAMPDDWPZCIK-QGZVFWFLSA-N 1 0 421.519 1.119 50 0 HDAARO C[C@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)NCCC[NH+]3CCCCC3)s2)C1 ZINC000035377861 569034468 /nfs/dbraw/zinc/03/44/68/569034468.db2.gz FHMJTWXZALRAJJ-HNNXBMFYSA-N 1 0 418.567 1.993 50 0 HDAARO COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCO3)[NH+](C)C)cc1 ZINC000090607291 569041938 /nfs/dbraw/zinc/04/19/38/569041938.db2.gz AVQIAHLDLWRIHZ-GOSISDBHSA-N 1 0 411.458 1.766 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@H]1c1ccccc1OC ZINC000035991064 569074642 /nfs/dbraw/zinc/07/46/42/569074642.db2.gz AGEBZFBEKSWRMB-FQEVSTJZSA-N 1 0 416.522 1.846 50 0 HDAARO CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCC[NH+](C)C)c1=O)C[C@H](C)CC3 ZINC000006760443 569113441 /nfs/dbraw/zinc/11/34/41/569113441.db2.gz IYOSUKWTNVKUAR-CYBMUJFWSA-N 1 0 407.536 1.864 50 0 HDAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(N(C)C)cc(C)[nH+]3)CC2)cc1 ZINC000064977949 569140136 /nfs/dbraw/zinc/14/01/36/569140136.db2.gz PDVAMAZUHXZMIN-UHFFFAOYSA-N 1 0 418.523 1.320 50 0 HDAARO CCNC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2C)cnc1N1CC[NH2+]CC1 ZINC000065025191 569156225 /nfs/dbraw/zinc/15/62/25/569156225.db2.gz DQNXTWJWIHPCFW-UHFFFAOYSA-N 1 0 417.535 1.659 50 0 HDAARO O=C(NCCCN1CCOCC1)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065255908 569208098 /nfs/dbraw/zinc/20/80/98/569208098.db2.gz VLILMBNFPWCJQY-OAQYLSRUSA-N 1 0 409.534 1.685 50 0 HDAARO COc1ccc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1-n1nnnc1C ZINC000170598138 569242424 /nfs/dbraw/zinc/24/24/24/569242424.db2.gz DNNDWZPDUMPJFH-UHFFFAOYSA-N 1 0 416.530 1.517 50 0 HDAARO COc1ccc(C)cc1S(=O)(=O)N1CCN(c2nc(N(C)C)cc(C)[nH+]2)CC1 ZINC000017026477 569271902 /nfs/dbraw/zinc/27/19/02/569271902.db2.gz QXWJIXPDNMSVTN-UHFFFAOYSA-N 1 0 405.524 1.679 50 0 HDAARO CCOCC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCOC2)C[C@@H]1C ZINC000253630120 569383339 /nfs/dbraw/zinc/38/33/39/569383339.db2.gz HXQYUYOWEPXJMY-ZWKOTPCHSA-N 1 0 402.543 1.867 50 0 HDAARO CCN(C(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013057135 569408251 /nfs/dbraw/zinc/40/82/51/569408251.db2.gz ISEFWOKZPQQBFR-HOTGVXAUSA-N 1 0 413.522 1.498 50 0 HDAARO CCCCN(C(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013063285 569408403 /nfs/dbraw/zinc/40/84/03/569408403.db2.gz VNGKTJXTJZKENP-HOTGVXAUSA-N 1 0 407.559 1.886 50 0 HDAARO CCC[NH+]1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(OC)c(OC)c1)C2=O ZINC000008769179 571116344 /nfs/dbraw/zinc/11/63/44/571116344.db2.gz YIDFCPMBFQCRPN-UHFFFAOYSA-N 1 0 404.467 1.439 50 0 HDAARO O=C(CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O)NCCc1ccccc1 ZINC000008769226 571116356 /nfs/dbraw/zinc/11/63/56/571116356.db2.gz MQSUZLUTOOPNMF-UHFFFAOYSA-N 1 0 420.513 1.932 50 0 HDAARO Cc1c(C)n2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC000008991217 571207013 /nfs/dbraw/zinc/20/70/13/571207013.db2.gz OBGLVVGOCKCLRQ-UHFFFAOYSA-N 1 0 420.517 1.752 50 0 HDAARO O=C([O-])[C@H](CC(=O)Nc1cccc(O)c1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000071280365 571290645 /nfs/dbraw/zinc/29/06/45/571290645.db2.gz QKKVGQKEQOWCRR-QGZVFWFLSA-N 1 0 404.511 1.135 50 0 HDAARO Cn1cc([C@@H](CNC(=O)C2CCN(S(C)(=O)=O)CC2)[NH+](C)C)c2ccccc21 ZINC000077171667 571311792 /nfs/dbraw/zinc/31/17/92/571311792.db2.gz BYVUBOAFOTWJDB-LJQANCHMSA-N 1 0 406.552 1.569 50 0 HDAARO OCCOc1ccccc1CN1CC[C@@H]([NH+]2CCN(c3ccccn3)CC2)[C@H](O)C1 ZINC000012570320 1075266521 /nfs/dbraw/zinc/26/65/21/1075266521.db2.gz DHSMMFJNKUYUIZ-NHCUHLMSSA-N 1 0 412.534 1.210 50 0 HDAARO O=C(NCCN1CCOCC1)c1ccc(N2CCC([NH2+]Cc3ccccn3)CC2)cc1 ZINC000012242932 132357690 /nfs/dbraw/zinc/35/76/90/132357690.db2.gz KAEUEARLDPECBL-UHFFFAOYSA-N 1 0 423.561 1.902 50 0 HDAARO CC(C)[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000020567761 519806760 /nfs/dbraw/zinc/80/67/60/519806760.db2.gz GTXSVSJZDQTYDC-IFFPOQKRSA-N 1 0 417.893 1.895 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@]21c2cccc(Cl)c2NC1=O ZINC000020566584 520562277 /nfs/dbraw/zinc/56/22/77/520562277.db2.gz MFBMDYLIKLCJBX-CFEDGUPZSA-N 1 0 418.881 1.126 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c2c(c(OC)c3c1CCN(C)C3)OCO2 ZINC000040312983 521641592 /nfs/dbraw/zinc/64/15/92/521641592.db2.gz QPGBTMLNSCHNPS-CYBMUJFWSA-N 1 0 411.524 1.174 50 0 biogenic HDAARO C[NH+](C)[C@@H](CNC(=O)NCCc1ccc(S(N)(=O)=O)s1)c1cccs1 ZINC000043145400 522016754 /nfs/dbraw/zinc/01/67/54/522016754.db2.gz UPAUYDZAAIJQDA-LBPRGKRZSA-N 1 0 402.567 1.602 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000020549002 523292649 /nfs/dbraw/zinc/29/26/49/523292649.db2.gz ZIKFKRQUMPHCAR-IHSNIMORSA-N 1 0 403.504 1.197 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000020567188 523292721 /nfs/dbraw/zinc/29/27/21/523292721.db2.gz CDIXBQRWOTYOAO-MFCZKXCZSA-N 1 0 405.882 1.753 50 0 HDAARO COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)C(C)C)n3CC2)c(OC)c1C ZINC000020598790 524040093 /nfs/dbraw/zinc/04/00/93/524040093.db2.gz SNOFHOSOJLYRDT-UHFFFAOYSA-N 1 0 415.538 1.977 50 0 HDAARO COc1ccc(Cl)cc1S(=O)(=O)N(CCC(C)C)CC(=O)N1CC[NH2+]CC1 ZINC000045974322 524247002 /nfs/dbraw/zinc/24/70/02/524247002.db2.gz ILLFLAVJWDFPEF-UHFFFAOYSA-N 1 0 417.959 1.817 50 0 HDAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN1C(=O)c1ccco1 ZINC000032760158 526314552 /nfs/dbraw/zinc/31/45/52/526314552.db2.gz MDICDIHCCLWQSP-HXUWFJFHSA-N 1 0 410.518 1.818 50 0 HDAARO O=C(Cc1cccc(O)c1)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299755517 527268040 /nfs/dbraw/zinc/26/80/40/527268040.db2.gz DUEIAWAJBLGHGM-NRFANRHFSA-N 1 0 415.534 1.400 50 0 HDAARO C[NH+]1CCN(c2ccc(NC(=O)CCNS(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000009118167 536422828 /nfs/dbraw/zinc/42/28/28/536422828.db2.gz HZXJALQKRQITAD-UHFFFAOYSA-N 1 0 420.510 1.885 50 0 HDAARO C[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccsc2)CC1 ZINC000022767149 557814963 /nfs/dbraw/zinc/81/49/63/557814963.db2.gz BYRXFYVNSDFMKL-KRWDZBQOSA-N 1 0 423.560 1.786 50 0 HDAARO COc1ccc([C@@H](CNC(=O)C(=O)NCc2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000022795287 557822645 /nfs/dbraw/zinc/82/26/45/557822645.db2.gz YWCGRWDIICDZIY-LJQANCHMSA-N 1 0 416.547 1.478 50 0 HDAARO COCc1ccc(C(=O)NCc2nnc3n2CC[N@@H+](Cc2cccc(O)c2)CC3)o1 ZINC000011997484 558307152 /nfs/dbraw/zinc/30/71/52/558307152.db2.gz LMOBASOLJLGHAH-UHFFFAOYSA-N 1 0 411.462 1.711 50 0 HDAARO COC[C@@H](O)CNC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000012052547 558314619 /nfs/dbraw/zinc/31/46/19/558314619.db2.gz FTFLNOYLYOLGAE-QFIPXVFZSA-N 1 0 403.567 1.795 50 0 HDAARO COc1cc(C[NH2+]CCc2ccncc2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000020256273 558352145 /nfs/dbraw/zinc/35/21/45/558352145.db2.gz OMCNCQVIMIQQGY-HXUWFJFHSA-N 1 0 401.507 1.494 50 0 HDAARO CC(C)[NH+](CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(C)C ZINC000022623370 558503467 /nfs/dbraw/zinc/50/34/67/558503467.db2.gz COZZPKMMKRWOHF-GOSISDBHSA-N 1 0 411.568 1.993 50 0 HDAARO CCC[NH+]1CCN(CC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC(C)C)CC1 ZINC000023095772 558534051 /nfs/dbraw/zinc/53/40/51/558534051.db2.gz SWTRNXUTTRYUMU-UHFFFAOYSA-N 1 0 410.540 1.687 50 0 HDAARO COc1cccc(C[NH2+]CCCn2ccnc2)c1OC[C@H](O)CN1CCOCC1 ZINC000023338735 558550196 /nfs/dbraw/zinc/55/01/96/558550196.db2.gz HMBOYYOGFHMAEZ-LJQANCHMSA-N 1 0 404.511 1.144 50 0 HDAARO O=C(CN1CCN(c2ccccc2O)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023642424 558564575 /nfs/dbraw/zinc/56/45/75/558564575.db2.gz OMCPRJZOFWGHCH-UHFFFAOYSA-N 1 0 416.566 1.666 50 0 HDAARO COc1ccc(N2C[C@@H](NC(=O)NCCC[NH+]3CCCCC3)CC2=O)cc1OC ZINC000004479851 558602407 /nfs/dbraw/zinc/60/24/07/558602407.db2.gz IFMQGQWKJWOTQZ-INIZCTEOSA-N 1 0 404.511 1.984 50 0 HDAARO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](CCc1ccccc1)CC2 ZINC000014537212 558658518 /nfs/dbraw/zinc/65/85/18/558658518.db2.gz QFAFGPWKWMIKDJ-UHFFFAOYSA-N 1 0 403.479 1.147 50 0 HDAARO CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1OC)C2 ZINC000014539298 558659180 /nfs/dbraw/zinc/65/91/80/558659180.db2.gz JBPPNQFIJJLEKD-GOSISDBHSA-N 1 0 411.550 1.946 50 0 HDAARO COC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(=O)OC)C(=O)N2CCc1ccccc1 ZINC000014732433 558665946 /nfs/dbraw/zinc/66/59/46/558665946.db2.gz SDLPANTWTDUFAH-KRWDZBQOSA-N 1 0 417.506 1.536 50 0 HDAARO CN(C)c1ncncc1N1CCC(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000065226283 558672590 /nfs/dbraw/zinc/67/25/90/558672590.db2.gz RDAXGJXJNULZIZ-UHFFFAOYSA-N 1 0 408.550 1.934 50 0 HDAARO Cc1cc2n(n1)CCC(=O)N2CC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000022937201 558723886 /nfs/dbraw/zinc/72/38/86/558723886.db2.gz IBTZSTDEHOTWIM-UHFFFAOYSA-N 1 0 424.549 1.252 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)C2CCN(c3nc4cccnc4s3)CC2)CC1 ZINC000022937549 558725526 /nfs/dbraw/zinc/72/55/26/558725526.db2.gz QRHGGLFFJOBMRW-UHFFFAOYSA-N 1 0 402.568 1.661 50 0 HDAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@@]21c2cccc(Cl)c2NC1=O ZINC000016024854 558768919 /nfs/dbraw/zinc/76/89/19/558768919.db2.gz JYXHNNPQVSNEBQ-DMJMDYAPSA-N 1 0 418.881 1.124 50 0 HDAARO CC[NH+]1CCN(c2ccc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)nn2)CC1 ZINC000004583383 558773144 /nfs/dbraw/zinc/77/31/44/558773144.db2.gz LPLKYNIYXSZNAK-UHFFFAOYSA-N 1 0 410.522 1.590 50 0 HDAARO COCC1CC[NH+](Cc2cccc(OC)c2OC[C@H](O)CN2CCOCC2)CC1 ZINC000039405472 558820853 /nfs/dbraw/zinc/82/08/53/558820853.db2.gz VGPRNHXVXZDKGH-HXUWFJFHSA-N 1 0 408.539 1.626 50 0 HDAARO CCc1ccc(CNC(=O)c2ccc(N3CC[NH2+]CC3)c(NS(C)(=O)=O)c2)cc1 ZINC000033034417 558858497 /nfs/dbraw/zinc/85/84/97/558858497.db2.gz MUBKMFAVCNOWDJ-UHFFFAOYSA-N 1 0 416.547 1.960 50 0 HDAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)CCc3nc(-c4ccncc4)no3)cn2)CC1 ZINC000058157965 558903442 /nfs/dbraw/zinc/90/34/42/558903442.db2.gz KOWAXXAAYCHEEM-UHFFFAOYSA-N 1 0 421.505 1.918 50 0 HDAARO CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(c4noc(C5CC5)n4)CC3)C2)CC1 ZINC000071661827 558906527 /nfs/dbraw/zinc/90/65/27/558906527.db2.gz SUBXEYDBACXNOP-KRWDZBQOSA-N 1 0 402.543 1.402 50 0 HDAARO O=C(c1nc2ccccn2c1CN1CC[C@@H](O)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000071682114 558906641 /nfs/dbraw/zinc/90/66/41/558906641.db2.gz DDQJERQYFPMRBE-LJQANCHMSA-N 1 0 411.550 1.991 50 0 HDAARO COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+]Cc1ccc(C)cc1 ZINC000058165232 558906689 /nfs/dbraw/zinc/90/66/89/558906689.db2.gz QMXBSDNDHOSMLR-UHFFFAOYSA-N 1 0 419.503 1.995 50 0 HDAARO CCC(CO)(CO)NC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071707988 558907156 /nfs/dbraw/zinc/90/71/56/558907156.db2.gz IYLGZPQEUCOFGC-LJQANCHMSA-N 1 0 404.555 1.008 50 0 HDAARO COc1ccc(C[NH+]2CCC(C(=O)NCCCN3CCOCC3)CC2)c(OC)c1 ZINC000004700163 558907766 /nfs/dbraw/zinc/90/77/66/558907766.db2.gz KHKIFGBSGVAEJO-UHFFFAOYSA-N 1 0 405.539 1.754 50 0 HDAARO CN(C)c1cncc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071736524 558908075 /nfs/dbraw/zinc/90/80/75/558908075.db2.gz JPOUCNVJDWWKRB-KRWDZBQOSA-N 1 0 402.543 1.082 50 0 HDAARO Cn1ccc(NC(=O)CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071738571 558908124 /nfs/dbraw/zinc/90/81/24/558908124.db2.gz REBLHTIWMPZENS-KRWDZBQOSA-N 1 0 402.543 1.157 50 0 HDAARO CC(C)c1nc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)no1 ZINC000071747200 558908789 /nfs/dbraw/zinc/90/87/89/558908789.db2.gz HYARZGWTNUTCQT-INIZCTEOSA-N 1 0 403.527 1.922 50 0 HDAARO Nc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)[nH]n1 ZINC000071774789 558911503 /nfs/dbraw/zinc/91/15/03/558911503.db2.gz YPWMDMFNUBKONH-GOSISDBHSA-N 1 0 424.549 1.667 50 0 HDAARO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000058291680 558916914 /nfs/dbraw/zinc/91/69/14/558916914.db2.gz AONGTFDEHYKMTP-UHFFFAOYSA-N 1 0 407.511 1.864 50 0 HDAARO NC(=O)NCC(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072132162 558928744 /nfs/dbraw/zinc/92/87/44/558928744.db2.gz QZTNSHMMUCXEDU-MRXNPFEDSA-N 1 0 413.444 1.487 50 0 HDAARO O=C(CCc1nc(CS(=O)(=O)c2ccccc2)no1)NCCC[NH+]1CCCCC1 ZINC000033062716 558956311 /nfs/dbraw/zinc/95/63/11/558956311.db2.gz UWKBPSVHOHBAGI-UHFFFAOYSA-N 1 0 420.535 1.968 50 0 HDAARO Cc1cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064799863 558965760 /nfs/dbraw/zinc/96/57/60/558965760.db2.gz WTEYCWHXZKPODE-UHFFFAOYSA-N 1 0 403.433 1.862 50 0 HDAARO Cc1cc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000065364501 558975590 /nfs/dbraw/zinc/97/55/90/558975590.db2.gz WEINXKZMKSYFAN-UHFFFAOYSA-N 1 0 409.537 1.194 50 0 HDAARO CC1CC[NH+](CCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1 ZINC000067622815 558990131 /nfs/dbraw/zinc/99/01/31/558990131.db2.gz SXZWVPAEKQSVNU-UHFFFAOYSA-N 1 0 422.595 1.475 50 0 HDAARO CC[NH+](CC)CCNS(=O)(=O)c1cc(-c2n[nH]cc2C(=O)N2CCCC2)oc1C ZINC000097097436 558992318 /nfs/dbraw/zinc/99/23/18/558992318.db2.gz GVZWNPZAADWPBP-UHFFFAOYSA-N 1 0 423.539 1.834 50 0 HDAARO CC1(C)CC(NS(=O)(=O)c2sc3c(c2C(=O)[O-])CC[NH2+]C3)CC(C)(C)[NH2+]1 ZINC000067867608 558994057 /nfs/dbraw/zinc/99/40/57/558994057.db2.gz PLTUHGAMPNXIJL-UHFFFAOYSA-N 1 0 401.554 1.680 50 0 HDAARO CC[NH+]1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(C)cc2)c2cccnc2)CC1 ZINC000022457132 558995264 /nfs/dbraw/zinc/99/52/64/558995264.db2.gz BXQIRSIXQUKLFT-NRFANRHFSA-N 1 0 409.534 1.501 50 0 HDAARO Cc1cc(N2CCC3(CN(CCCN4CC[NH+](C(C)C)CC4)C(=O)O3)CC2)ncn1 ZINC000077354721 559002263 /nfs/dbraw/zinc/00/22/63/559002263.db2.gz YFZWCGPGQBWAEN-UHFFFAOYSA-N 1 0 416.570 1.992 50 0 HDAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)c3cnn4c3CCCC4)CC2)OC1=O ZINC000077377753 559002673 /nfs/dbraw/zinc/00/26/73/559002673.db2.gz ORDIDIILEQPNQG-UHFFFAOYSA-N 1 0 419.526 1.225 50 0 HDAARO CCCCN1CCN([C@@H](C(=O)N2CCC[N@H+](C)CC2)c2ccccc2)C(=O)C1=O ZINC000077376576 559002727 /nfs/dbraw/zinc/00/27/27/559002727.db2.gz DVQVLDFTYFGZCE-LJQANCHMSA-N 1 0 400.523 1.363 50 0 HDAARO Cc1ccc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CC[NH+]5CCCCC5)C(=O)[C@@H]24)O3)o1 ZINC000077405993 559003834 /nfs/dbraw/zinc/00/38/34/559003834.db2.gz MHYVVOYREOYGKL-GJPOJAMWSA-N 1 0 413.518 1.814 50 0 HDAARO CC[N@H+](C)CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H]3COC)cc2C1 ZINC000077419051 559004485 /nfs/dbraw/zinc/00/44/85/559004485.db2.gz VNHAZOMDWOGIGL-GOSISDBHSA-N 1 0 409.552 1.323 50 0 HDAARO Cn1c2ccccc2n(CCC(=O)NCCC[N@H+](C)Cc2ccccc2)c(=O)c1=O ZINC000033272382 559033654 /nfs/dbraw/zinc/03/36/54/559033654.db2.gz DHVVFNQRKKUZBM-UHFFFAOYSA-N 1 0 408.502 1.729 50 0 HDAARO COc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)ncn1 ZINC000082087364 559036822 /nfs/dbraw/zinc/03/68/22/559036822.db2.gz AOWQSDMBPWSWRK-GOSISDBHSA-N 1 0 410.522 1.877 50 0 HDAARO Cn1ncnc1CCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082092178 559037096 /nfs/dbraw/zinc/03/70/96/559037096.db2.gz MOTAHOPTPORWDZ-IBGZPJMESA-N 1 0 411.554 1.245 50 0 HDAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)[nH]n1 ZINC000082097684 559037651 /nfs/dbraw/zinc/03/76/51/559037651.db2.gz SHUSNUXRRDWGTA-GOSISDBHSA-N 1 0 410.522 1.746 50 0 HDAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cnccn3)CC2)C1 ZINC000082161524 559041774 /nfs/dbraw/zinc/04/17/74/559041774.db2.gz ORYZLAQIRPPUGQ-SFHVURJKSA-N 1 0 408.506 1.505 50 0 HDAARO COCCn1c(=O)[nH]c2cc(C(=O)NCCC[NH+]3CCCCCC3)ccc2c1=O ZINC000004791350 559065661 /nfs/dbraw/zinc/06/56/61/559065661.db2.gz DTPKNDYEVMJTOW-UHFFFAOYSA-N 1 0 402.495 1.332 50 0 HDAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)C[C@@H]1CO ZINC000091877143 559074415 /nfs/dbraw/zinc/07/44/15/559074415.db2.gz YWZHHWAHPLKEIB-CHWSQXEVSA-N 1 0 400.401 1.186 50 0 HDAARO COc1ccc(CN(C)Cc2ncc[nH]2)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000095518858 559084937 /nfs/dbraw/zinc/08/49/37/559084937.db2.gz AFHOOVQBRPSZCE-GOSISDBHSA-N 1 0 403.527 1.037 50 0 HDAARO CN(C(=O)CC[C@@H]1CCCN(C(=O)CCc2ccnn2C)C1)C1CC[NH+](C)CC1 ZINC000095526869 559086183 /nfs/dbraw/zinc/08/61/83/559086183.db2.gz JZDFSVSZDPEPRP-SFHVURJKSA-N 1 0 403.571 1.924 50 0 HDAARO Cn1c2nc3n(c2c(=O)n(C)c1=O)CCN3c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000011692421 559186432 /nfs/dbraw/zinc/18/64/32/559186432.db2.gz YOQUQVGSPGULSF-UHFFFAOYSA-N 1 0 424.505 1.450 50 0 HDAARO CC[NH+](CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl ZINC000005126022 559248308 /nfs/dbraw/zinc/24/83/08/559248308.db2.gz ATDITNCMZRPWLH-UHFFFAOYSA-N 1 0 418.929 1.889 50 0 HDAARO COc1ccc(N2C(=O)N[C@H](CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000409415076 559250977 /nfs/dbraw/zinc/25/09/77/559250977.db2.gz SPBQKENQJALNBD-ATZDWAIDSA-N 1 0 414.506 1.891 50 0 HDAARO CCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)cc2)CC1 ZINC000005147927 559252915 /nfs/dbraw/zinc/25/29/15/559252915.db2.gz KDHDFSHVIMRGAO-UHFFFAOYSA-N 1 0 416.913 1.657 50 0 HDAARO Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCC[NH+]4CCCCCC4)C3)sc2n1 ZINC000005149138 559253183 /nfs/dbraw/zinc/25/31/83/559253183.db2.gz VOGBCOZHVLCTLO-INIZCTEOSA-N 1 0 418.567 1.668 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000005347297 560570591 /nfs/dbraw/zinc/57/05/91/560570591.db2.gz AFIFEWVLQBFXRN-DICRZQGBSA-N 1 0 405.882 1.753 50 0 HDAARO Cn1cc(C(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(c4ccccn4)CC2)CCO3)cn1 ZINC000575317174 560855602 /nfs/dbraw/zinc/85/56/02/560855602.db2.gz UPNQUIOTVLBDQA-HXUWFJFHSA-N 1 0 424.549 1.791 50 0 HDAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1C ZINC000046046153 568425308 /nfs/dbraw/zinc/42/53/08/568425308.db2.gz PXTITGXZYRFECS-UHFFFAOYSA-N 1 0 420.554 1.657 50 0 HDAARO C[NH+](C)C[C@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)[C@H](O)c1ccccc1 ZINC000048081003 568432093 /nfs/dbraw/zinc/43/20/93/568432093.db2.gz NDGSBEUPJQPSIZ-GHTZIAJQSA-N 1 0 413.522 1.951 50 0 HDAARO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(F)cc2I)CC1 ZINC000048189668 568432445 /nfs/dbraw/zinc/43/24/45/568432445.db2.gz BSSJVUOQWIGJTK-UHFFFAOYSA-N 1 0 419.238 1.276 50 0 HDAARO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000048189639 568432461 /nfs/dbraw/zinc/43/24/61/568432461.db2.gz QINMYPQWJDBKEI-LBPRGKRZSA-N 1 0 416.291 1.588 50 0 HDAARO O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048332821 568439294 /nfs/dbraw/zinc/43/92/94/568439294.db2.gz MRKCDLVQPLOGMJ-UHFFFAOYSA-N 1 0 407.536 1.411 50 0 HDAARO CCCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)CC1 ZINC000005147930 568454449 /nfs/dbraw/zinc/45/44/49/568454449.db2.gz OKCMXPNXJCHBFY-UHFFFAOYSA-N 1 0 410.522 1.588 50 0 HDAARO CCC[NH+]1CCN(CCCNC(=O)CCCN2C(=O)CSc3ncccc32)CC1 ZINC000020415197 568605940 /nfs/dbraw/zinc/60/59/40/568605940.db2.gz BCYVKZIEHSBBNB-UHFFFAOYSA-N 1 0 419.595 1.834 50 0 HDAARO Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000020938373 568652641 /nfs/dbraw/zinc/65/26/41/568652641.db2.gz WMVXGXAZCXMNKA-UHFFFAOYSA-N 1 0 410.522 1.106 50 0 HDAARO Cc1noc2ncn(CC(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)c(=O)c12 ZINC000020941857 568652888 /nfs/dbraw/zinc/65/28/88/568652888.db2.gz HRWJCBYYKDDPDF-UHFFFAOYSA-N 1 0 413.453 1.860 50 0 HDAARO C[NH+]1CCN(CCCSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)CC1 ZINC000096003431 568681856 /nfs/dbraw/zinc/68/18/56/568681856.db2.gz IFFJGHXXMPCTEE-UHFFFAOYSA-N 1 0 420.558 1.973 50 0 HDAARO CN(C)S(=O)(=O)c1ccc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000225563627 568774022 /nfs/dbraw/zinc/77/40/22/568774022.db2.gz IUHFPPXXIHSCMZ-UHFFFAOYSA-N 1 0 409.552 1.558 50 0 HDAARO Cc1ccccc1C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)C)CC1 ZINC000056952469 568822154 /nfs/dbraw/zinc/82/21/54/568822154.db2.gz UYMLXLBGNOURAW-UHFFFAOYSA-N 1 0 410.522 1.710 50 0 HDAARO CCN1C(=O)N(CC)C(=O)C2(Cc3c(Cl)cccc3N3CC[N@H+](C)C[C@@H]32)C1=O ZINC000057122053 568824382 /nfs/dbraw/zinc/82/43/82/568824382.db2.gz BSZFPVILXMNRLO-MRXNPFEDSA-N 1 0 404.898 1.834 50 0 HDAARO O=C(NCCC[NH+]1CCCC1)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000002959085 568830005 /nfs/dbraw/zinc/83/00/05/568830005.db2.gz GPIVKNLQMSYUTK-IAGOWNOFSA-N 1 0 422.576 1.583 50 0 HDAARO CC[NH+](CC)CCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000002958931 568830054 /nfs/dbraw/zinc/83/00/54/568830054.db2.gz LLRHDZOVWDBASW-CVEARBPZSA-N 1 0 410.565 1.439 50 0 HDAARO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000003211790 568846708 /nfs/dbraw/zinc/84/67/08/568846708.db2.gz DGUBEVHBQSTJMV-IEBWSBKVSA-N 1 0 420.531 1.798 50 0 HDAARO O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000504051110 568864802 /nfs/dbraw/zinc/86/48/02/568864802.db2.gz SYKNUZNEAKWIRA-HSALFYBXSA-N 1 0 412.534 1.920 50 0 HDAARO CS(=O)(=O)CCN1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CC1 ZINC000299774684 568874626 /nfs/dbraw/zinc/87/46/26/568874626.db2.gz HLBXEBMGXYKNIC-ZCNNSNEGSA-N 1 0 405.564 1.401 50 0 HDAARO O=C(Cc1ccccn1)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299778901 568874698 /nfs/dbraw/zinc/87/46/98/568874698.db2.gz IPDKKLSWZDDOEK-FQEVSTJZSA-N 1 0 400.523 1.090 50 0 HDAARO Cc1nc(C)c(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)s1 ZINC000299779822 568875011 /nfs/dbraw/zinc/87/50/11/568875011.db2.gz LDIYOAVKRGHXHJ-SFHVURJKSA-N 1 0 420.579 1.839 50 0 HDAARO Cc1cccnc1C(=O)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299797252 568876303 /nfs/dbraw/zinc/87/63/03/568876303.db2.gz QQKFUNBQZOLKOW-LJQANCHMSA-N 1 0 400.523 1.469 50 0 HDAARO CN(C)c1cncc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299797096 568876305 /nfs/dbraw/zinc/87/63/05/568876305.db2.gz PNSYOWWMSREHQJ-SFHVURJKSA-N 1 0 402.543 1.304 50 0 HDAARO CC(C)c1cc(C(=O)NC[C@H]2CN(C3CC[NH+](C4CCC4)CC3)C(=O)CO2)no1 ZINC000299799059 568876525 /nfs/dbraw/zinc/87/65/25/568876525.db2.gz XAXZUJBRDVJJAY-KRWDZBQOSA-N 1 0 404.511 1.772 50 0 HDAARO CCN(C(=O)C[N@H+](C)C1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003342445 568884014 /nfs/dbraw/zinc/88/40/14/568884014.db2.gz RXNMOPDSQDILJY-UHFFFAOYSA-N 1 0 413.522 1.785 50 0 HDAARO COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[NH+](C)C)cc1 ZINC000003419811 568899727 /nfs/dbraw/zinc/89/97/27/568899727.db2.gz QAODNASOOKMGMA-LJQANCHMSA-N 1 0 405.520 1.978 50 0 HDAARO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1scc2c1OCCO2 ZINC000670448939 568921832 /nfs/dbraw/zinc/92/18/32/568921832.db2.gz LKEDVPOREJCFRQ-YOMPXFNTSA-N 1 0 411.527 1.817 50 0 HDAARO Cc1cc(C)n(CCCC(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)n1 ZINC000670451861 568926687 /nfs/dbraw/zinc/92/66/87/568926687.db2.gz WNSGSOLQTKFRES-SDPJGKNGSA-N 1 0 407.562 1.964 50 0 HDAARO Cc1sc2nc(CCNC(=O)c3cn(C[C@@H]4CCC[NH2+]C4)nn3)[nH]c(=O)c2c1C ZINC000670454935 568930705 /nfs/dbraw/zinc/93/07/05/568930705.db2.gz VDMMVVIVIFOONH-CYBMUJFWSA-N 1 0 415.523 1.577 50 0 HDAARO Cc1cccc(N2CCC(NC(=O)[C@H]3[C@@H]4CC[C@@]5(CN(CC[NH3+])C(=O)[C@@H]35)O4)CC2)c1 ZINC000670457630 568942065 /nfs/dbraw/zinc/94/20/65/568942065.db2.gz SKJAORLDJYYUDQ-GJPOJAMWSA-N 1 0 412.534 1.045 50 0 HDAARO COc1ccc(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)c(OC)n1 ZINC000670457995 568943204 /nfs/dbraw/zinc/94/32/04/568943204.db2.gz KFBRSMDGIIQPAJ-UKAYHFCDSA-N 1 0 408.502 1.396 50 0 HDAARO C[N@@H+]1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@H]2C1 ZINC000245326926 569055895 /nfs/dbraw/zinc/05/58/95/569055895.db2.gz NEMLDXOKRDIZGR-XXBNENTESA-N 1 0 404.470 1.628 50 0 HDAARO Cc1ccccc1N1CC[NH+](CCCNC(=O)c2nc(-c3ccncn3)no2)CC1 ZINC000064459821 569063033 /nfs/dbraw/zinc/06/30/33/569063033.db2.gz IOLCUUVDUZKRGZ-UHFFFAOYSA-N 1 0 407.478 1.777 50 0 HDAARO CCc1ccc(CN2CCc3c(C(=O)NC[C@@H]4C[NH2+]CCO4)csc3C2)nc1 ZINC000426445191 569073110 /nfs/dbraw/zinc/07/31/10/569073110.db2.gz YSQLOLCFCBSMMR-KRWDZBQOSA-N 1 0 400.548 1.982 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)Cn2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064775907 569093770 /nfs/dbraw/zinc/09/37/70/569093770.db2.gz PJVMEKSDLFNFNY-UHFFFAOYSA-N 1 0 410.522 1.032 50 0 HDAARO CCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025176 569156241 /nfs/dbraw/zinc/15/62/41/569156241.db2.gz WNYYOBZDZOMNOU-UHFFFAOYSA-N 1 0 417.535 1.740 50 0 HDAARO CCCCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)cnc1N1CC[NH2+]CC1 ZINC000065025148 569156262 /nfs/dbraw/zinc/15/62/62/569156262.db2.gz FCDQOYGTAYXPRT-UHFFFAOYSA-N 1 0 417.535 1.822 50 0 HDAARO C[NH+](C)Cc1ccc(CNC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000006983884 569195756 /nfs/dbraw/zinc/19/57/56/569195756.db2.gz CDVVROLJZAKWFG-UHFFFAOYSA-N 1 0 408.502 1.921 50 0 HDAARO CC(C)[NH+]1CCN(C(=O)CN2c3ccc(F)cc3C(=O)N3CCC[C@@H]3C2=O)CC1 ZINC000065306849 569220754 /nfs/dbraw/zinc/22/07/54/569220754.db2.gz VUZKEJZLLMVOAW-GOSISDBHSA-N 1 0 402.470 1.330 50 0 HDAARO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000065591186 569236672 /nfs/dbraw/zinc/23/66/72/569236672.db2.gz JWDRMFIGJWVHJD-LLVKDONJSA-N 1 0 411.421 1.710 50 0 HDAARO Cn1c2nc(OCC[NH+](C)C)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000000796304 569282300 /nfs/dbraw/zinc/28/23/00/569282300.db2.gz GABSCZFWNGPNJF-UHFFFAOYSA-N 1 0 407.474 1.576 50 0 HDAARO COCC[NH+]1CCN(c2nc3nn(C)c(N)c3c(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000037376048 569288051 /nfs/dbraw/zinc/28/80/51/569288051.db2.gz GUCJTLXRSJLRBA-UHFFFAOYSA-N 1 0 411.466 1.110 50 0 HDAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)c4cn(C)cn4)CC3)C2)CC1 ZINC000581819788 569320685 /nfs/dbraw/zinc/32/06/85/569320685.db2.gz KXUFKDGGHDTLFQ-IBGZPJMESA-N 1 0 403.571 1.848 50 0 HDAARO CCOCC(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000581820105 569320897 /nfs/dbraw/zinc/32/08/97/569320897.db2.gz REUKZFSMQOCLKO-LJQANCHMSA-N 1 0 402.539 1.780 50 0 HDAARO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000079023665 569424608 /nfs/dbraw/zinc/42/46/08/569424608.db2.gz OGLBCFPCZNGSGO-HNNXBMFYSA-N 1 0 417.535 1.413 50 0 HDAARO Cc1ccc(N2C(=O)N(CC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C(=O)[C@@H]2C)cc1 ZINC000039983365 571136270 /nfs/dbraw/zinc/13/62/70/571136270.db2.gz AWBDIAQDNFQWSG-HKUYNNGSSA-N 1 0 416.522 1.625 50 0 HDAARO O=C(NCCN1CCOCC1)C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008893149 571143192 /nfs/dbraw/zinc/14/31/92/571143192.db2.gz WBYQRSQKHNJQAG-SFHVURJKSA-N 1 0 408.568 1.230 50 0 HDAARO O=C(CNC(=O)c1ccc2ccccc2c1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008996751 571208809 /nfs/dbraw/zinc/20/88/09/571208809.db2.gz BPKBGGFXBLPSJF-UHFFFAOYSA-N 1 0 403.486 1.956 50 0 HDAARO Cc1cc(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCCCC2)n2ncnc2n1 ZINC000036618963 571305819 /nfs/dbraw/zinc/30/58/19/571305819.db2.gz ZOMOFBVHCRHRPF-UHFFFAOYSA-N 1 0 404.478 2.521 50 0 HDAARO CCn1c(=O)n(CCOC)nc1C1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC000077153208 571311807 /nfs/dbraw/zinc/31/18/07/571311807.db2.gz YGQFJLLVOHUCDY-UHFFFAOYSA-N 1 0 402.495 1.877 50 0 HDAARO Cc1nc(SCC[NH2+]Cc2cccc(OC[C@@H](O)CN3CCOCC3)c2)n[nH]1 ZINC000012430540 1073942750 /nfs/dbraw/zinc/94/27/50/1073942750.db2.gz NOZRUEMJEKRLKL-KRWDZBQOSA-N 1 0 407.540 1.067 50 0 HDAARO Cc1nn(C)c(C)c1CCC(=O)N1CCC2(C[C@@H](CN3CCOCC3)[N@H+](C)C2)CC1 ZINC000169787125 1076034540 /nfs/dbraw/zinc/03/45/40/1076034540.db2.gz NKXPZJABQBNVPM-FQEVSTJZSA-N 1 0 417.598 1.615 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000010385750 132345908 /nfs/dbraw/zinc/34/59/08/132345908.db2.gz QKHUJAWVAXBQMN-UXHICEINSA-N 1 0 421.501 1.918 50 0 HDAARO C[NH+](C)CCn1nnc2c3c4c(c(N5CCOCC5)nc3sc2c1=O)CCC4 ZINC000012408894 132359594 /nfs/dbraw/zinc/35/95/94/132359594.db2.gz WBEJUSAINWXRMA-UHFFFAOYSA-N 1 0 400.508 1.288 50 0 HDAARO CC(C)Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C[C@H]2CCCO2)cc1 ZINC000045974396 519439257 /nfs/dbraw/zinc/43/92/57/519439257.db2.gz KFLKGZMXIZGGLH-LJQANCHMSA-N 1 0 423.579 1.487 50 0 HDAARO CC(C)OCCCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000045974628 519762289 /nfs/dbraw/zinc/76/22/89/519762289.db2.gz PJPBPUWVVUMUDD-UHFFFAOYSA-N 1 0 401.504 1.063 50 0 HDAARO C[NH+]1CCN(Cc2ccccc2CNC(=O)CN2C(=O)COc3ccccc32)CC1 ZINC000032915605 523911123 /nfs/dbraw/zinc/91/11/23/523911123.db2.gz MWJDNUJHEGSHGK-UHFFFAOYSA-N 1 0 408.502 1.476 50 0 HDAARO CCc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H]2CCCO2)cc1 ZINC000045944376 524010948 /nfs/dbraw/zinc/01/09/48/524010948.db2.gz USNOJGVHGNGSKD-GOSISDBHSA-N 1 0 409.552 1.241 50 0 HDAARO C[NH+](C)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCCCC1 ZINC000032801826 524036321 /nfs/dbraw/zinc/03/63/21/524036321.db2.gz JLLXMDBQSRADLM-UHFFFAOYSA-N 1 0 408.568 1.967 50 0 HDAARO COc1ccc(Cl)cc1S(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)CC(C)C ZINC000045944931 524246893 /nfs/dbraw/zinc/24/68/93/524246893.db2.gz BLDBOUNQWUICLQ-UHFFFAOYSA-N 1 0 417.959 1.817 50 0 HDAARO C[C@@H](CNC(=O)CCn1c2ccccc2c(=O)[nH]c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000032800731 524650380 /nfs/dbraw/zinc/65/03/80/524650380.db2.gz VZNXYERPEJOVAU-INIZCTEOSA-N 1 0 406.486 1.643 50 0 HDAARO Cc1ccc(-c2nnc(SCC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)n2N)cc1 ZINC000032745202 525855887 /nfs/dbraw/zinc/85/58/87/525855887.db2.gz HVUXKYQMOGSYTK-KRWDZBQOSA-N 1 0 418.567 1.532 50 0 HDAARO O=C(Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O)NCc1ccco1 ZINC000044892754 527415704 /nfs/dbraw/zinc/41/57/04/527415704.db2.gz JDVJRCKPLJJHDD-UHFFFAOYSA-N 1 0 407.474 1.475 50 0 HDAARO Cc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)C2=O)c(C)c1 ZINC000001481078 557270199 /nfs/dbraw/zinc/27/01/99/557270199.db2.gz DKAKYJMOZRSACW-IBGZPJMESA-N 1 0 412.534 1.741 50 0 HDAARO CC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCCc3ccccc3OC)co2)CC1 ZINC000034677594 557365340 /nfs/dbraw/zinc/36/53/40/557365340.db2.gz SERVWWXDISHRSA-SFHVURJKSA-N 1 0 416.522 1.544 50 0 HDAARO COCCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2)N2CC[NH+](C)CC2)c1=O ZINC000022697570 557784329 /nfs/dbraw/zinc/78/43/29/557784329.db2.gz JTAUAUDDGXVNJB-NRFANRHFSA-N 1 0 401.507 1.854 50 0 HDAARO COc1ccc([C@H](CNC(=O)C(=O)NC2CCCCC2)N2CC[NH+](C)CC2)cc1 ZINC000022778497 557821197 /nfs/dbraw/zinc/82/11/97/557821197.db2.gz QYQCXCAJFNQCNJ-FQEVSTJZSA-N 1 0 402.539 1.549 50 0 HDAARO COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)c(OC)c1 ZINC000019745375 558266092 /nfs/dbraw/zinc/26/60/92/558266092.db2.gz LOYDGCQLHYUECL-UHFFFAOYSA-N 1 0 413.522 1.812 50 0 HDAARO COC(=O)c1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1 ZINC000019865522 558298810 /nfs/dbraw/zinc/29/88/10/558298810.db2.gz KHVMQHWBSBGDQH-UHFFFAOYSA-N 1 0 420.473 1.448 50 0 HDAARO COc1ccccc1N(C[C@H](O)CN1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000019891713 558303195 /nfs/dbraw/zinc/30/31/95/558303195.db2.gz ROEDVRJYHNDCCT-GOSISDBHSA-N 1 0 419.547 1.499 50 0 HDAARO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1cc(OC)ccc1OC)CC2 ZINC000012042804 558313308 /nfs/dbraw/zinc/31/33/08/558313308.db2.gz XXCABKZKMQPFAD-OAHLLOKOSA-N 1 0 417.510 1.567 50 0 HDAARO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(O)c(OC)c1)CC2 ZINC000012209939 558353756 /nfs/dbraw/zinc/35/37/56/558353756.db2.gz FYUGFYHDZZGEMI-AWEZNQCLSA-N 1 0 403.483 1.264 50 0 HDAARO COC(=O)CCC(=O)N1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000012302757 558372306 /nfs/dbraw/zinc/37/23/06/558372306.db2.gz DHPYMVSUYHYTDY-UHFFFAOYSA-N 1 0 419.522 1.643 50 0 HDAARO CCN1CC[NH+](C2CCN(c3nc4nonc4nc3N3CCCCCC3)CC2)CC1 ZINC000020514971 558382715 /nfs/dbraw/zinc/38/27/15/558382715.db2.gz SLIQVKJUBGXHPQ-UHFFFAOYSA-N 1 0 414.558 2.000 50 0 HDAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc3c(c1)CCO3)CC2)[C@H]1CCCO1 ZINC000020912955 558422432 /nfs/dbraw/zinc/42/24/32/558422432.db2.gz XWWMCWPUAMWGKG-LJQANCHMSA-N 1 0 411.506 1.109 50 0 HDAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)CN1CCOC1=O ZINC000012581185 558432522 /nfs/dbraw/zinc/43/25/22/558432522.db2.gz UCCRRIZTECAHDG-UHFFFAOYSA-N 1 0 407.486 1.965 50 0 HDAARO COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(CN(C)Cc2nonc2C)c1 ZINC000012591081 558435730 /nfs/dbraw/zinc/43/57/30/558435730.db2.gz FJEKKZKDICZFOB-GOSISDBHSA-N 1 0 420.510 1.215 50 0 HDAARO O=C(CCN(C[C@H]1CCCO1)C(=O)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000021534816 558440840 /nfs/dbraw/zinc/44/08/40/558440840.db2.gz PWFSYEQBPJVHLN-QGZVFWFLSA-N 1 0 424.339 1.892 50 0 HDAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CCn1cnnn1 ZINC000012709880 558451877 /nfs/dbraw/zinc/45/18/77/558451877.db2.gz GTWZSGLUITYHEI-IBGZPJMESA-N 1 0 400.527 1.875 50 0 HDAARO COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(CNCC(F)(F)F)cc2)CC1 ZINC000012745222 558458175 /nfs/dbraw/zinc/45/81/75/558458175.db2.gz UYCDICLEMQGFKC-INIZCTEOSA-N 1 0 404.429 1.963 50 0 HDAARO Cc1ccc(NC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000013096099 558512927 /nfs/dbraw/zinc/51/29/27/558512927.db2.gz XNJSZQOFAPEPCX-HZPDHXFCSA-N 1 0 409.552 1.932 50 0 HDAARO CC[NH+](CC)CCCNC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@@H]13)O2 ZINC000013623536 558550091 /nfs/dbraw/zinc/55/00/91/558550091.db2.gz XGTPJIBZUWTHLC-VLVHOKLOSA-N 1 0 413.518 1.830 50 0 HDAARO Cc1cc(F)ccc1C(=O)N1CCC(Cn2cc(CN3CC[C@@H]([NH3+])C3)nn2)CC1 ZINC000023429622 558558202 /nfs/dbraw/zinc/55/82/02/558558202.db2.gz CVKNJKLVZMHDIK-GOSISDBHSA-N 1 0 400.502 1.811 50 0 HDAARO Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@@H]([N@@H+]1CCCN(C=O)CC1)C2 ZINC000014533306 558656863 /nfs/dbraw/zinc/65/68/63/558656863.db2.gz XPOCOVYYVPKFFA-GOSISDBHSA-N 1 0 413.497 1.511 50 0 HDAARO NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000014534187 558657391 /nfs/dbraw/zinc/65/73/91/558657391.db2.gz GNJKGEVAVHYYTJ-UHFFFAOYSA-N 1 0 421.501 1.408 50 0 HDAARO NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000014535898 558658245 /nfs/dbraw/zinc/65/82/45/558658245.db2.gz CNIPUCLHYMVDMH-UHFFFAOYSA-N 1 0 421.501 1.408 50 0 HDAARO Cc1ccc(F)c(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)c1 ZINC000014740988 558666902 /nfs/dbraw/zinc/66/69/02/558666902.db2.gz AMPCPGZKFQNAPM-JBACZVJFSA-N 1 0 411.477 1.908 50 0 HDAARO COCc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC(N)=O)C(=O)N3CCC(C)C)o1 ZINC000014741920 558667368 /nfs/dbraw/zinc/66/73/68/558667368.db2.gz IOSQYXXBRIJTKR-UHFFFAOYSA-N 1 0 420.510 1.556 50 0 HDAARO COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH+](Cc2cnn(C)c2)CC3)cc1 ZINC000014743168 558667781 /nfs/dbraw/zinc/66/77/81/558667781.db2.gz VHYCYPLQBJWQGA-UHFFFAOYSA-N 1 0 411.506 1.900 50 0 HDAARO CC(C)CN1C[C@@H](OCc2ccccn2)CN(C(=O)C2CC[NH+](C)CC2)CC1=O ZINC000014745582 558668885 /nfs/dbraw/zinc/66/88/85/558668885.db2.gz BTHCKUHCIKIFGZ-HXUWFJFHSA-N 1 0 402.539 1.635 50 0 HDAARO COc1ccccc1C[N@H+]1CCc2nnc([C@H](C)NC(=O)C3CCOCC3)n2CC1 ZINC000014883615 558676956 /nfs/dbraw/zinc/67/69/56/558676956.db2.gz OPNLLMKCRNPEMB-INIZCTEOSA-N 1 0 413.522 1.949 50 0 HDAARO Cc1nc(C)c(CC(=O)N2CCC([NH+]3CCC(C(=O)NC(C)C)CC3)CC2)c(=O)[nH]1 ZINC000014955769 558682554 /nfs/dbraw/zinc/68/25/54/558682554.db2.gz XGGYXCBFYDWVJW-UHFFFAOYSA-N 1 0 417.554 1.157 50 0 HDAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)C1(C(N)=O)CC1 ZINC000014973454 558688348 /nfs/dbraw/zinc/68/83/48/558688348.db2.gz HGCSWGCBJVOCAE-UHFFFAOYSA-N 1 0 403.523 1.648 50 0 HDAARO CCC[NH+](CCC)CCNC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O ZINC000004562811 558732879 /nfs/dbraw/zinc/73/28/79/558732879.db2.gz YJPWMCYJUZWOLI-UHFFFAOYSA-N 1 0 401.511 1.141 50 0 HDAARO COC(=O)C1=C(N)Oc2cc(C)n(CC[NH+](C)C)c(=O)c2[C@H]1c1cccc(OC)c1 ZINC000004570647 558742800 /nfs/dbraw/zinc/74/28/00/558742800.db2.gz SPEJXDZJJXWQLV-QGZVFWFLSA-N 1 0 413.474 1.595 50 0 HDAARO CC1(C)CC(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(Cc5ccco5)C(=O)[C@H]24)O3)CC(C)(C)[NH2+]1 ZINC000015905400 558761280 /nfs/dbraw/zinc/76/12/80/558761280.db2.gz RKFITMNYIQHZHA-SCYDXJQRSA-N 1 0 413.518 1.987 50 0 HDAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@@]21c2cc(Cl)ccc2NC1=O ZINC000016025077 558768765 /nfs/dbraw/zinc/76/87/65/558768765.db2.gz MUSLHQQFYBCSJC-IRHLFGLPSA-N 1 0 418.881 1.124 50 0 HDAARO CCCN(CCC)C(=O)c1coc(CN2CCN(C[C@H](O)C[N@H+](C)C(C)C)CC2)n1 ZINC000034677654 558782870 /nfs/dbraw/zinc/78/28/70/558782870.db2.gz SAQXYUIQGXXSML-LJQANCHMSA-N 1 0 423.602 1.756 50 0 HDAARO Cc1cc(C)cc(C(=O)N(CCCN2CCOCC2)CCC(=O)N2CC[NH2+]CC2)c1 ZINC000035421582 558791103 /nfs/dbraw/zinc/79/11/03/558791103.db2.gz AUQYKNSQGMZBKC-UHFFFAOYSA-N 1 0 416.566 1.290 50 0 HDAARO COC(=O)c1ccc2c(c1)-n1nnnc1C1(CC[NH+](Cc3ccccc3)CC1)NC2=O ZINC000035615772 558794407 /nfs/dbraw/zinc/79/44/07/558794407.db2.gz RLLDONAROVQCRE-UHFFFAOYSA-N 1 0 418.457 1.684 50 0 HDAARO COc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCC(OCc4ccccn4)CC3)C2)cc1 ZINC000039362767 558820381 /nfs/dbraw/zinc/82/03/81/558820381.db2.gz IWIYEJJKVNFIQU-VXKWHMMOSA-N 1 0 411.502 1.957 50 0 HDAARO CN(CC[NH+]1CCCCCC1)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000039420493 558821097 /nfs/dbraw/zinc/82/10/97/558821097.db2.gz ZCXGXNKOTMKXCX-IBGZPJMESA-N 1 0 406.571 1.572 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)c2cccc(NC(=O)c3nnc(C)s3)c2)CC1 ZINC000033022615 558837841 /nfs/dbraw/zinc/83/78/41/558837841.db2.gz WKCMYJBTJBQRQV-UHFFFAOYSA-N 1 0 416.551 1.856 50 0 HDAARO Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)N(C)C)ccc1N1CC[NH2+]CC1 ZINC000033033496 558857707 /nfs/dbraw/zinc/85/77/07/558857707.db2.gz ZWNIBHQOYYWUSI-UHFFFAOYSA-N 1 0 402.520 1.907 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(CC)CC2)=[NH+][C@H]1c1ccc(O)c(OCC)c1 ZINC000054254889 558866993 /nfs/dbraw/zinc/86/69/93/558866993.db2.gz NNGNSJNOYJBEIP-MSOLQXFVSA-N 1 0 418.494 1.135 50 0 HDAARO CC(=O)N1CCc2c(nc(C)nc2N2CCCN(CCC[NH+]3CCCC3)CC2)C1 ZINC000071738568 558908107 /nfs/dbraw/zinc/90/81/07/558908107.db2.gz IYOJGEVYKVEROV-UHFFFAOYSA-N 1 0 400.571 1.688 50 0 HDAARO CCc1cnc(C)nc1N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071745664 558908432 /nfs/dbraw/zinc/90/84/32/558908432.db2.gz XFMIVMBRYRDMFR-IBGZPJMESA-N 1 0 401.555 1.887 50 0 HDAARO CN(CC1(CO)CC1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071752208 558909391 /nfs/dbraw/zinc/90/93/91/558909391.db2.gz SRGNKYKCVHBTOB-HXUWFJFHSA-N 1 0 400.567 1.989 50 0 HDAARO COc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCC[NH+](C)C)CC4)nn32)cc1 ZINC000033260024 558928917 /nfs/dbraw/zinc/92/89/17/558928917.db2.gz ALHOIVTYXLUXMK-UHFFFAOYSA-N 1 0 423.521 1.694 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)CCc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033061698 558955268 /nfs/dbraw/zinc/95/52/68/558955268.db2.gz YWALSUVCYRJUMT-UHFFFAOYSA-N 1 0 416.551 1.477 50 0 HDAARO CCn1c2ccccc2n(CC(=O)NCCC[N@H+](C)C2CCCCC2)c(=O)c1=O ZINC000033068494 558962841 /nfs/dbraw/zinc/96/28/41/558962841.db2.gz LVRBMNLUJHSIBE-UHFFFAOYSA-N 1 0 400.523 1.954 50 0 HDAARO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 ZINC000065362703 558973481 /nfs/dbraw/zinc/97/34/81/558973481.db2.gz CSFZOSNHJFWULD-KRWDZBQOSA-N 1 0 409.552 1.447 50 0 HDAARO Cc1cc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)nc(N2CCOCC2)[nH+]1 ZINC000065364576 558975808 /nfs/dbraw/zinc/97/58/08/558975808.db2.gz MYQFPTSNBKNBQL-UHFFFAOYSA-N 1 0 421.498 1.272 50 0 HDAARO CCc1cc(CN2CCC3(CN(CCN4CC[NH+](CC)CC4)C(=O)O3)CC2)on1 ZINC000072425405 558978965 /nfs/dbraw/zinc/97/89/65/558978965.db2.gz HSWRJULLJXETSC-UHFFFAOYSA-N 1 0 405.543 1.661 50 0 HDAARO C[NH+](C)[C@H]1CCN(Cc2ccc(C(=O)NCc3cnc4ccccc4c3)c(=O)[nH]2)C1 ZINC000077504115 559007460 /nfs/dbraw/zinc/00/74/60/559007460.db2.gz ODHVDLSOELVJIW-IBGZPJMESA-N 1 0 405.502 1.989 50 0 HDAARO O=C(NCCN1CCOCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082099704 559038062 /nfs/dbraw/zinc/03/80/62/559038062.db2.gz LOCMCFNQGURIMS-NRFANRHFSA-N 1 0 415.582 1.206 50 0 HDAARO O=C([C@@H]1CCC[N@@H+](C2CCOCC2)C1)N1CCN(Cc2ccccc2F)C(=O)C1 ZINC000095352507 559079687 /nfs/dbraw/zinc/07/96/87/559079687.db2.gz GHYFCZBOGUZGJL-GOSISDBHSA-N 1 0 403.498 1.888 50 0 HDAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000095496672 559081569 /nfs/dbraw/zinc/08/15/69/559081569.db2.gz DPMODWAXWBONKV-INIZCTEOSA-N 1 0 402.470 1.089 50 0 HDAARO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC ZINC000095524400 559085745 /nfs/dbraw/zinc/08/57/45/559085745.db2.gz NVHKNGJOJKBSAA-KRWDZBQOSA-N 1 0 403.527 1.133 50 0 HDAARO Cc1cccc(Cn2c3c(nc2N2CC[NH+](CC(C)C)CC2)n(C)c(=O)[nH]c3=O)c1 ZINC000005147909 559252752 /nfs/dbraw/zinc/25/27/52/559252752.db2.gz WNANMMIQVINQLJ-UHFFFAOYSA-N 1 0 410.522 1.558 50 0 HDAARO C[C@H]1Sc2ccc(C(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)cc2NC1=O ZINC000247963642 559257058 /nfs/dbraw/zinc/25/70/58/559257058.db2.gz FXOBBRDJNYDYRA-CJNGLKHVSA-N 1 0 404.536 1.792 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](CCC(N)=O)[NH2+][C@]3(c4cccc(Cl)c4NC3=O)[C@H]2C1=O ZINC000248234942 559269100 /nfs/dbraw/zinc/26/91/00/559269100.db2.gz MFBMDYLIKLCJBX-LXJUHRJVSA-N 1 0 418.881 1.126 50 0 HDAARO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000003310809 560592000 /nfs/dbraw/zinc/59/20/00/560592000.db2.gz QTWCKXKUSOGVFC-IBGZPJMESA-N 1 0 417.531 1.441 50 0 HDAARO C[NH+](C)[C@H](CNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)c1ccccc1 ZINC000011998115 560776139 /nfs/dbraw/zinc/77/61/39/560776139.db2.gz WWOZPTWJYXQQEA-GOSISDBHSA-N 1 0 401.488 1.786 50 0 HDAARO CCOC(=O)[C@H]1CCCN(c2c(=O)c(=O)c2NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000101529754 560797015 /nfs/dbraw/zinc/79/70/15/560797015.db2.gz JKYFYMIMGWUQHP-SFHVURJKSA-N 1 0 413.518 1.996 50 0 HDAARO Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000013668739 560825322 /nfs/dbraw/zinc/82/53/22/560825322.db2.gz ULERNJSXRDDCAL-UHFFFAOYSA-N 1 0 409.552 1.622 50 0 HDAARO C[NH+]1CCN(c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)c[nH]3)cn2)CC1 ZINC000014810333 560852818 /nfs/dbraw/zinc/85/28/18/560852818.db2.gz HGINWKOBDSCJRJ-UHFFFAOYSA-N 1 0 418.523 1.198 50 0 HDAARO C[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000048312231 568436248 /nfs/dbraw/zinc/43/62/48/568436248.db2.gz YAOUVJVYXGQLNS-OAHLLOKOSA-N 1 0 403.570 1.337 50 0 HDAARO O=C(Cn1cc(Br)ccc1=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000048375491 568442453 /nfs/dbraw/zinc/44/24/53/568442453.db2.gz WAHILTZIKBSMLB-UHFFFAOYSA-N 1 0 405.296 1.787 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000020283655 568596684 /nfs/dbraw/zinc/59/66/84/568596684.db2.gz DFHGSMMFFUMATD-SFHVURJKSA-N 1 0 418.494 1.122 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)CCCN2C(=O)CSc3ncccc32)CC1 ZINC000020415195 568605934 /nfs/dbraw/zinc/60/59/34/568605934.db2.gz DIFXLHIEPBUIJF-UHFFFAOYSA-N 1 0 405.568 1.444 50 0 HDAARO CCC[NH+]1CCN(CCCNC(=O)Cn2c3ccccc3c3nc(=O)cc(C)n32)CC1 ZINC000020464846 568610182 /nfs/dbraw/zinc/61/01/82/568610182.db2.gz DVHHZSUPSICKOI-UHFFFAOYSA-N 1 0 424.549 1.492 50 0 HDAARO CC[NH+]1CCC(N(CC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)C2CC2)CC1 ZINC000095446697 568612016 /nfs/dbraw/zinc/61/20/16/568612016.db2.gz NJXOUOHQCCJQMC-SFHVURJKSA-N 1 0 423.583 1.438 50 0 HDAARO COc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1S(N)(=O)=O ZINC000095455944 568617409 /nfs/dbraw/zinc/61/74/09/568617409.db2.gz OGVNEWBWBSAGKF-SFHVURJKSA-N 1 0 417.531 1.666 50 0 HDAARO COC(=O)c1cc(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c(F)cc1F ZINC000095461249 568620651 /nfs/dbraw/zinc/62/06/51/568620651.db2.gz SMQYEXZBTWLNJL-UHFFFAOYSA-N 1 0 401.329 1.909 50 0 HDAARO CC1=C(C(=O)Nc2ccccc2C(=O)NCCCN2CC[NH+](C)CC2)SCCO1 ZINC000020919157 568650806 /nfs/dbraw/zinc/65/08/06/568650806.db2.gz TVDJYOWPFUOQFM-UHFFFAOYSA-N 1 0 418.563 1.987 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCN(c3ncnc4onc(C)c43)C2)CC1 ZINC000020945131 568653194 /nfs/dbraw/zinc/65/31/94/568653194.db2.gz UEKZJXBKKLNIDO-QGZVFWFLSA-N 1 0 415.542 1.286 50 0 HDAARO Cc1nn(C)c2ncc(C[NH2+]C[C@H]3CN(C(=O)c4ccccc4)[C@H]4CCN3C4)cc12 ZINC000095981126 568675368 /nfs/dbraw/zinc/67/53/68/568675368.db2.gz FKWPJFJARHSLQU-PMACEKPBSA-N 1 0 404.518 1.965 50 0 HDAARO Cc1nc2ccccc2c(=O)n1CC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000242047976 568732357 /nfs/dbraw/zinc/73/23/57/568732357.db2.gz VRSPBJZBQPDKQO-UHFFFAOYSA-N 1 0 406.490 1.168 50 0 HDAARO [NH2+]=C1c2ccccc2CN1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003191858 568860698 /nfs/dbraw/zinc/86/06/98/568860698.db2.gz QJWWJPXXXQZGIZ-UHFFFAOYSA-N 1 0 400.460 1.193 50 0 HDAARO COc1ccc(C(=O)NCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1OC ZINC000012613799 568871802 /nfs/dbraw/zinc/87/18/02/568871802.db2.gz DVXNRLXCUWUQKE-UHFFFAOYSA-N 1 0 413.478 1.219 50 0 HDAARO Cc1nc(CC(=O)NC[C@H]2CN(C3CC[NH+](C4CCC4)CC3)C(=O)CO2)cs1 ZINC000299756323 568872844 /nfs/dbraw/zinc/87/28/44/568872844.db2.gz GNZLPKVILDKLQB-SFHVURJKSA-N 1 0 406.552 1.355 50 0 HDAARO CCCc1cc(C(=O)NC[C@H]2CN(C3CC[NH+](C4CCC4)CC3)C(=O)CO2)n(C)n1 ZINC000299773472 568874397 /nfs/dbraw/zinc/87/43/97/568874397.db2.gz CDZCTVQCADBKQJ-IBGZPJMESA-N 1 0 417.554 1.347 50 0 HDAARO Cc1nc(C)c(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)o1 ZINC000299788011 568875611 /nfs/dbraw/zinc/87/56/11/568875611.db2.gz UPKFRFVAUHTTDE-SFHVURJKSA-N 1 0 404.511 1.371 50 0 HDAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCn2cccn2)CC1 ZINC000299793587 568876005 /nfs/dbraw/zinc/87/60/05/568876005.db2.gz HWJZUFFETJSZBX-HXUWFJFHSA-N 1 0 402.470 1.793 50 0 HDAARO CCC[N@@H+]1CC[C@@H](CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000058015485 568876390 /nfs/dbraw/zinc/87/63/90/568876390.db2.gz ZTJHYBDDEOBPFC-IBGZPJMESA-N 1 0 423.579 1.488 50 0 HDAARO O=C(NC12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000670439921 568889729 /nfs/dbraw/zinc/88/97/29/568889729.db2.gz IFKLBSVYKAQMQM-CDNWVTEYSA-N 1 0 414.554 1.728 50 0 HDAARO CC[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000012775583 568954447 /nfs/dbraw/zinc/95/44/47/568954447.db2.gz FZAIJPWBSHYPRO-UHFFFAOYSA-N 1 0 409.552 1.696 50 0 HDAARO CCCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000012787152 568960587 /nfs/dbraw/zinc/96/05/87/568960587.db2.gz FICCZXPQLWJIOQ-UHFFFAOYSA-N 1 0 413.540 1.269 50 0 HDAARO CC(C)C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)CC1 ZINC000004316517 568962313 /nfs/dbraw/zinc/96/23/13/568962313.db2.gz KVCAIQPNLGNAFS-UHFFFAOYSA-N 1 0 414.485 1.389 50 0 HDAARO COc1ccccc1CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1 ZINC000015862653 569015964 /nfs/dbraw/zinc/01/59/64/569015964.db2.gz NWCRVHIOWCLDOX-UHFFFAOYSA-N 1 0 417.531 1.708 50 0 HDAARO COc1cccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccccc2)c1 ZINC000015864235 569016418 /nfs/dbraw/zinc/01/64/18/569016418.db2.gz DPSISKAKCWNPIR-UHFFFAOYSA-N 1 0 403.504 1.318 50 0 HDAARO Cc1ccccc1S(=O)(=O)N(CC(=O)N1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000015864250 569016449 /nfs/dbraw/zinc/01/64/49/569016449.db2.gz QZPTYINCDZEZLT-UHFFFAOYSA-N 1 0 405.495 1.757 50 0 HDAARO NC(=O)CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 ZINC000227243048 569040029 /nfs/dbraw/zinc/04/00/29/569040029.db2.gz BGFHNBDEZXDKTG-GQAKTHPZSA-N 1 0 422.416 1.016 50 0 HDAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@@H](C(=O)NCC[NH+](C)C)C2)c1C ZINC000035510149 569042014 /nfs/dbraw/zinc/04/20/14/569042014.db2.gz DODJNBDQYOXQCZ-QGZVFWFLSA-N 1 0 420.554 1.657 50 0 HDAARO COCCS(=O)(=O)c1ncc(CN2CC[N@@H+]3CCC[C@H]3C2)n1Cc1ccccc1 ZINC000247829707 569057471 /nfs/dbraw/zinc/05/74/71/569057471.db2.gz KTGURTXAMHSXIB-IBGZPJMESA-N 1 0 418.563 1.632 50 0 HDAARO Cc1ccccc1N1CC[NH+](CCCNC(=O)c2nc(-c3cncnc3)no2)CC1 ZINC000064459807 569063018 /nfs/dbraw/zinc/06/30/18/569063018.db2.gz MYXQAKWWHWLWAB-UHFFFAOYSA-N 1 0 407.478 1.777 50 0 HDAARO Cc1cccc(N2CC[NH+](CCCNC(=O)c3nc(-c4ccncn4)no3)CC2)c1 ZINC000064459814 569063046 /nfs/dbraw/zinc/06/30/46/569063046.db2.gz CUJWHEAWMTYEBF-UHFFFAOYSA-N 1 0 407.478 1.777 50 0 HDAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(c4ccc5nccn5n4)CC3)C2)CC1 ZINC000426683692 569073770 /nfs/dbraw/zinc/07/37/70/569073770.db2.gz BMVSMCFCZABURW-SFHVURJKSA-N 1 0 411.554 1.184 50 0 HDAARO COC(=O)Cn1c(=O)c2c3c(sc2n(CC[NH+]2CCCC2)c1=O)COC(C)(C)C3 ZINC000006759339 569112865 /nfs/dbraw/zinc/11/28/65/569112865.db2.gz XVZMMSYDTINHHY-UHFFFAOYSA-N 1 0 421.519 1.345 50 0 HDAARO CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCC[NH+](C)C)c1=O)C[C@@H](C)CC3 ZINC000006760444 569113380 /nfs/dbraw/zinc/11/33/80/569113380.db2.gz IYOSUKWTNVKUAR-ZDUSSCGKSA-N 1 0 407.536 1.864 50 0 HDAARO CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)NCCC[NH+]1CCCCC1 ZINC000064889354 569115748 /nfs/dbraw/zinc/11/57/48/569115748.db2.gz JABVWVOVHYFYDX-UHFFFAOYSA-N 1 0 422.555 1.064 50 0 HDAARO CC[NH+](CC)CCCNC(=O)CCc1c(C)nc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000006772838 569118188 /nfs/dbraw/zinc/11/81/88/569118188.db2.gz JMUFJKSRGDYZIY-UHFFFAOYSA-N 1 0 403.527 1.030 50 0 HDAARO CC[NH+](CC)CCCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000006918215 569181513 /nfs/dbraw/zinc/18/15/13/569181513.db2.gz JJMNHJXVFVTTSQ-IAGOWNOFSA-N 1 0 424.592 1.829 50 0 HDAARO CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)CC)C2)CC1 ZINC000065195388 569194099 /nfs/dbraw/zinc/19/40/99/569194099.db2.gz MUDIDUMIWMOXFR-GOSISDBHSA-N 1 0 412.534 1.893 50 0 HDAARO CC(C)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CC3)C2)CC1 ZINC000065195551 569194381 /nfs/dbraw/zinc/19/43/81/569194381.db2.gz BSXHNPLIPMQZLN-IBGZPJMESA-N 1 0 424.545 1.891 50 0 HDAARO CCNc1cc(N2CCC[C@H](CCC(=O)NCCN3CC[NH+](C)CC3)C2)ncn1 ZINC000065245128 569204831 /nfs/dbraw/zinc/20/48/31/569204831.db2.gz JHGLDSNHGGFEJG-GOSISDBHSA-N 1 0 403.575 1.269 50 0 HDAARO O=C(NCCCN1CCOCC1)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065255907 569208047 /nfs/dbraw/zinc/20/80/47/569208047.db2.gz VLILMBNFPWCJQY-NRFANRHFSA-N 1 0 409.534 1.685 50 0 HDAARO Cc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2CC(=O)NCCC[NH+]1CCCCC1 ZINC000065306818 569220749 /nfs/dbraw/zinc/22/07/49/569220749.db2.gz GZUMYWKXVLPRQD-FQEVSTJZSA-N 1 0 412.534 1.938 50 0 HDAARO CC[NH+]1CCN(c2cc(C)nc3nc(CN4CCN(c5ccccn5)CC4)nn32)CC1 ZINC000065311640 569220877 /nfs/dbraw/zinc/22/08/77/569220877.db2.gz VHBUHBSYJDEEGU-UHFFFAOYSA-N 1 0 421.553 1.292 50 0 HDAARO Cc1nc(N2CCOCC2)cc(NCCNC(=O)Nc2ccc3c(c2)OCO3)[nH+]1 ZINC000036708098 569222129 /nfs/dbraw/zinc/22/21/29/569222129.db2.gz JIDOHILFXFOOPW-UHFFFAOYSA-N 1 0 400.439 1.584 50 0 HDAARO CCCCn1c2nc(COC(=O)[C@@H](C(C)C)[NH+](C)C)n(CCC)c2c(=O)[nH]c1=O ZINC000170622066 569249255 /nfs/dbraw/zinc/24/92/55/569249255.db2.gz SJYAEMLDDZYCIG-OAHLLOKOSA-N 1 0 407.515 1.726 50 0 HDAARO CCC[NH+]1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1 ZINC000096398473 569279500 /nfs/dbraw/zinc/27/95/00/569279500.db2.gz JXNDDENQLPXOQC-MRXNPFEDSA-N 1 0 405.564 1.880 50 0 HDAARO O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(O[C@H]4CCC[NH2+]C4)cc3)cc2c(=O)[nH]1 ZINC000253537649 569382923 /nfs/dbraw/zinc/38/29/23/569382923.db2.gz AAEZBEQEJUVXSE-AWEZNQCLSA-N 1 0 416.459 1.973 50 0 HDAARO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCCC3)C2)C1 ZINC000011847592 569399042 /nfs/dbraw/zinc/39/90/42/569399042.db2.gz AUHAVOPMYJBVFF-GUDVDZBRSA-N 1 0 414.616 1.523 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067285888 571064434 /nfs/dbraw/zinc/06/44/34/571064434.db2.gz JXMFDZIVRYBXDE-IBGZPJMESA-N 1 0 418.494 1.122 50 0 HDAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000067287610 571065525 /nfs/dbraw/zinc/06/55/25/571065525.db2.gz OUMJKOBRTSQGDE-LJQANCHMSA-N 1 0 402.495 1.504 50 0 HDAARO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000040086203 571156847 /nfs/dbraw/zinc/15/68/47/571156847.db2.gz OZLROGAXDOFAQS-CVEARBPZSA-N 1 0 415.581 1.995 50 0 HDAARO C[NH+](C)CCOc1ccccc1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000040115961 571173632 /nfs/dbraw/zinc/17/36/32/571173632.db2.gz GEEQFNLPJGTJSX-UHFFFAOYSA-N 1 0 402.495 1.612 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CC1 ZINC000040120974 571176860 /nfs/dbraw/zinc/17/68/60/571176860.db2.gz KBLWSLLAMNWGDS-UHFFFAOYSA-N 1 0 408.568 1.275 50 0 HDAARO CCOC(=O)[C@@H]1CCCN(c2c(=O)c(=O)c2NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000245257945 571221463 /nfs/dbraw/zinc/22/14/63/571221463.db2.gz IPPKHPDKOSWXBU-BRWVUGGUSA-N 1 0 405.539 1.842 50 0 HDAARO Cc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCc3ccccc3C2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000821809982 1075842898 /nfs/dbraw/zinc/84/28/98/1075842898.db2.gz GKARNWSVBRLZDC-AWEZNQCLSA-N 1 0 407.474 1.519 50 0 HDAARO CC1(C)CC(NC(=O)CCNC(=O)N2CC(=O)Nc3ccccc32)CC(C)(C)[NH2+]1 ZINC000009165928 132336874 /nfs/dbraw/zinc/33/68/74/132336874.db2.gz OMEQREHBXJYGHQ-UHFFFAOYSA-N 1 0 401.511 1.970 50 0 HDAARO CN(C)S(=O)(=O)Nc1ccc(N2CCC([NH2+]CCOc3cccnc3)CC2)cc1 ZINC000011910377 132352093 /nfs/dbraw/zinc/35/20/93/132352093.db2.gz IUIHYNXEVLLHBE-UHFFFAOYSA-N 1 0 419.551 1.937 50 0 HDAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012069425 132353287 /nfs/dbraw/zinc/35/32/87/132353287.db2.gz AIRRCWWDCUHQOP-UHFFFAOYSA-N 1 0 424.501 1.360 50 0 HDAARO CC[NH+]1CCN(C[C@H](O)COc2cccc(CN(C)Cc3nccn3C)c2)CC1 ZINC000020598978 521687252 /nfs/dbraw/zinc/68/72/52/521687252.db2.gz HEFPHMUOILSOGQ-FQEVSTJZSA-N 1 0 401.555 1.429 50 0 HDAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)CN3C(=O)COc4ccccc43)cc2)CC1 ZINC000032932415 521688058 /nfs/dbraw/zinc/68/80/58/521688058.db2.gz UNHIZDGOWICICC-UHFFFAOYSA-N 1 0 422.529 1.866 50 0 HDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccsc2)CC1 ZINC000022766322 523917080 /nfs/dbraw/zinc/91/70/80/523917080.db2.gz FTQIPSSOKYRCOE-IBGZPJMESA-N 1 0 400.548 1.512 50 0 HDAARO Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000044901984 524035477 /nfs/dbraw/zinc/03/54/77/524035477.db2.gz BLWRBJIYIPMQRN-UHFFFAOYSA-N 1 0 411.506 1.970 50 0 HDAARO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C2CCCCCC2)cc1 ZINC000045974194 525009966 /nfs/dbraw/zinc/00/99/66/525009966.db2.gz SGQRGPHSBOOTKI-UHFFFAOYSA-N 1 0 409.552 1.841 50 0 HDAARO Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3cccs3)CC2)[nH+]1 ZINC000032498039 525086165 /nfs/dbraw/zinc/08/61/65/525086165.db2.gz NGHGEZPMTWRTAS-UHFFFAOYSA-N 1 0 409.537 1.194 50 0 HDAARO Cc1cc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc(S(=O)(=O)N(C)C)c1C ZINC000032795958 526266337 /nfs/dbraw/zinc/26/63/37/526266337.db2.gz INNGKZZQSRBJQC-HZPDHXFCSA-N 1 0 411.568 1.783 50 0 HDAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000032760156 526313554 /nfs/dbraw/zinc/31/35/54/526313554.db2.gz MDICDIHCCLWQSP-FQEVSTJZSA-N 1 0 410.518 1.818 50 0 HDAARO COc1ccc(CCN2C(=O)C[C@H]([NH2+]Cc3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000000842704 557098027 /nfs/dbraw/zinc/09/80/27/557098027.db2.gz RABXTWXYUCXXKL-INIZCTEOSA-N 1 0 412.442 1.892 50 0 biogenic HDAARO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1ccco1 ZINC000002357388 557340158 /nfs/dbraw/zinc/34/01/58/557340158.db2.gz ZYZSZLFMTCDSCE-OALUTQOASA-N 1 0 410.474 1.804 50 0 HDAARO CC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccc4c(c3)OCO4)co2)CC1 ZINC000034677206 557364468 /nfs/dbraw/zinc/36/44/68/557364468.db2.gz AUSQSHKPAFQPIB-INIZCTEOSA-N 1 0 416.478 1.222 50 0 HDAARO COCCNC(=O)COc1ccc(OCC[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000003793213 557498827 /nfs/dbraw/zinc/49/88/27/557498827.db2.gz RVMBDLSFFNKKLG-SFHVURJKSA-N 1 0 418.490 1.236 50 0 in-vitro HDAARO CCOc1cccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 ZINC000004019245 557505681 /nfs/dbraw/zinc/50/56/81/557505681.db2.gz IQSKZGFWDYJBGE-GOSISDBHSA-N 1 0 417.487 1.197 50 0 HDAARO CCn1c(C)cc(O)c([C@@H](c2ccc(OC)cc2)N2CC[NH+](CCO)CC2)c1=O ZINC000022696848 557783755 /nfs/dbraw/zinc/78/37/55/557783755.db2.gz LDWNRWWKRZILLZ-OAQYLSRUSA-N 1 0 401.507 1.590 50 0 HDAARO COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1 ZINC000022796076 557822743 /nfs/dbraw/zinc/82/27/43/557822743.db2.gz YWCBBRZISQIJRG-HXUWFJFHSA-N 1 0 414.481 1.878 50 0 HDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022795771 557822781 /nfs/dbraw/zinc/82/27/81/557822781.db2.gz GGMYEFJCWYBRCV-HXUWFJFHSA-N 1 0 416.472 1.686 50 0 HDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCc2ccccc2)c2ccc3c(c2)OCO3)CC1 ZINC000022797141 557823347 /nfs/dbraw/zinc/82/33/47/557823347.db2.gz PDLOUHAXBUACFD-IBGZPJMESA-N 1 0 424.501 1.136 50 0 HDAARO COc1cc(C[NH2+]CCn2ccnc2C)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000011816803 558280087 /nfs/dbraw/zinc/28/00/87/558280087.db2.gz WORHZOPCTAIHHU-IBGZPJMESA-N 1 0 404.511 1.062 50 0 HDAARO COc1cc(C[NH2+]CCn2ccnc2C)ccc1OC[C@H](O)CN1CCOCC1 ZINC000011816804 558280100 /nfs/dbraw/zinc/28/01/00/558280100.db2.gz WORHZOPCTAIHHU-LJQANCHMSA-N 1 0 404.511 1.062 50 0 HDAARO COc1cc(C[NH2+]CCCn2ccnc2C)ccc1OC[C@H](O)CN1CCOCC1 ZINC000011820106 558283441 /nfs/dbraw/zinc/28/34/41/558283441.db2.gz HCEWJZQTHOYOCF-HXUWFJFHSA-N 1 0 418.538 1.452 50 0 HDAARO COc1ccc(CCN2C(=O)C[C@@H]([NH2+]Cc3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000019818558 558288925 /nfs/dbraw/zinc/28/89/25/558288925.db2.gz RABXTWXYUCXXKL-MRXNPFEDSA-N 1 0 412.442 1.892 50 0 biogenic HDAARO O=c1cc(C[N@H+]2C[C@H](O)[C@@H](N3CCN(c4ccccn4)CC3)C2)[nH]c2ccccc12 ZINC000020271527 558353185 /nfs/dbraw/zinc/35/31/85/558353185.db2.gz RJFWMUXBLLKDOV-UNMCSNQZSA-N 1 0 405.502 1.290 50 0 HDAARO COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(CN(C)Cc3cc[nH]n3)c2)CC1 ZINC000012306704 558375628 /nfs/dbraw/zinc/37/56/28/558375628.db2.gz FPDCMBCQPANMTE-HXUWFJFHSA-N 1 0 416.522 1.666 50 0 HDAARO CC[NH+](CC)CCCNC(=O)C1=CC(c2ccccc2OC)=NS(=O)(=O)N1C ZINC000020608597 558389086 /nfs/dbraw/zinc/38/90/86/558389086.db2.gz RXMZHYZLZJVXNP-UHFFFAOYSA-N 1 0 408.524 1.407 50 0 HDAARO CC1CCN(Cc2nnnn2CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000012433052 558407056 /nfs/dbraw/zinc/40/70/56/558407056.db2.gz XDOANZAJIGBPGJ-HXUWFJFHSA-N 1 0 411.554 1.686 50 0 HDAARO CN(Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000012434309 558408082 /nfs/dbraw/zinc/40/80/82/558408082.db2.gz WFHGOISMBAXIQR-IBGZPJMESA-N 1 0 410.584 1.772 50 0 HDAARO CSc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)cc1 ZINC000020920249 558423444 /nfs/dbraw/zinc/42/34/44/558423444.db2.gz DHQNAADPHXHTDC-GOSISDBHSA-N 1 0 415.563 1.896 50 0 HDAARO COc1ccc([C@@H](CNC(=O)COCc2nc3ccccc3c(=O)[nH]2)[NH+](C)C)cc1 ZINC000023178137 558540667 /nfs/dbraw/zinc/54/06/67/558540667.db2.gz JWWYCXUWYJVMSF-LJQANCHMSA-N 1 0 410.474 1.867 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000013575796 558543433 /nfs/dbraw/zinc/54/34/33/558543433.db2.gz KMHFBXBAEGQZNZ-QPXQOZNCSA-N 1 0 423.444 1.435 50 0 HDAARO O=C(c1nc2ccccn2c1C[NH2+]CCCn1nnc2ccccc21)N1CCOCC1 ZINC000013596808 558547428 /nfs/dbraw/zinc/54/74/28/558547428.db2.gz SMGRMUXDBDXERJ-UHFFFAOYSA-N 1 0 419.489 1.731 50 0 HDAARO NC(=O)c1ccccc1NC(=O)CC[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000025912430 558652158 /nfs/dbraw/zinc/65/21/58/558652158.db2.gz KYKZFJOWJBAXRY-UHFFFAOYSA-N 1 0 410.474 1.661 50 0 HDAARO CCC[NH+]1CCN(C(=O)C2CCN(c3cnc(N4CCSCC4)nc3)CC2)CC1 ZINC000065166892 558652729 /nfs/dbraw/zinc/65/27/29/558652729.db2.gz LNSQTKDHNLVCEA-UHFFFAOYSA-N 1 0 418.611 1.800 50 0 HDAARO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3cnn(C)c3)CC2)C1=O ZINC000014750923 558670887 /nfs/dbraw/zinc/67/08/87/558670887.db2.gz QQACMSTWDJJOOT-UHFFFAOYSA-N 1 0 411.506 1.866 50 0 HDAARO COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027607010 558677348 /nfs/dbraw/zinc/67/73/48/558677348.db2.gz ZKIDLKMZXDVCAE-OAHLLOKOSA-N 1 0 409.533 1.971 50 0 HDAARO CNS(=O)(=O)c1ccc(CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC000072273213 558693561 /nfs/dbraw/zinc/69/35/61/558693561.db2.gz QIUSUNRJCSKKPH-UHFFFAOYSA-N 1 0 416.547 1.272 50 0 HDAARO O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)N1CC[NH+](C2CCCC2)CC1 ZINC000015075735 558716287 /nfs/dbraw/zinc/71/62/87/558716287.db2.gz GWTGJKRHQYNKPM-HXUWFJFHSA-N 1 0 402.514 1.603 50 0 HDAARO COC(=O)c1sccc1-n1nnnc1C1([NH2+]CCO)C2CC3CC(C2)CC1C3 ZINC000035170825 558788666 /nfs/dbraw/zinc/78/86/66/558788666.db2.gz INVBCWSUONJSGL-UHFFFAOYSA-N 1 0 403.508 1.744 50 0 HDAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000046959708 558841459 /nfs/dbraw/zinc/84/14/59/558841459.db2.gz JBEOSRUXQUHTBA-KRWDZBQOSA-N 1 0 409.552 1.559 50 0 HDAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2sc3c(c2c1)CCNC3=O ZINC000067974713 558862561 /nfs/dbraw/zinc/86/25/61/558862561.db2.gz JENZPPLHRHJZTC-WFASDCNBSA-N 1 0 400.504 1.254 50 0 HDAARO COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(CN(C)Cc2nccs2)c1 ZINC000055099747 558872310 /nfs/dbraw/zinc/87/23/10/558872310.db2.gz XLBSXDNKCINBAF-GOSISDBHSA-N 1 0 421.563 1.980 50 0 HDAARO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCCN2CC[NH+](C)CC2)c(C)c1 ZINC000058175410 558909262 /nfs/dbraw/zinc/90/92/62/558909262.db2.gz IFCRGVBSXJRYLS-IBGZPJMESA-N 1 0 422.595 1.129 50 0 HDAARO Cc1ccccc1-c1nnc2ccc(N3CCC(C(=O)NCC[NH+](C)C)CC3)nn21 ZINC000033260191 558926089 /nfs/dbraw/zinc/92/60/89/558926089.db2.gz WABDONKRYZSVAN-UHFFFAOYSA-N 1 0 407.522 1.994 50 0 HDAARO C[NH+](C)CCNC(=O)C1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1 ZINC000033260344 558926116 /nfs/dbraw/zinc/92/61/16/558926116.db2.gz KVSYGTFFALTJDS-UHFFFAOYSA-N 1 0 411.485 1.825 50 0 HDAARO CN1CCN(C(=O)C[C@@H]2C(=O)NCC[N@H+]2CC(c2ccccc2)c2ccccc2)CC1 ZINC000072150902 558929435 /nfs/dbraw/zinc/92/94/35/558929435.db2.gz IGEFPRBULGKLKM-HSZRJFAPSA-N 1 0 420.557 1.783 50 0 HDAARO COc1ccc(CN(C)Cc2nonc2C)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000019608728 558946860 /nfs/dbraw/zinc/94/68/60/558946860.db2.gz FBBQHDMRDFKMHY-GOSISDBHSA-N 1 0 419.526 1.006 50 0 HDAARO Cc1ccc(NC(=O)c2nnc(C(=O)NCCCN3CC[NH+](C)CC3)s2)cc1 ZINC000033060418 558954866 /nfs/dbraw/zinc/95/48/66/558954866.db2.gz BECRRVZPARTHHV-UHFFFAOYSA-N 1 0 402.524 1.466 50 0 HDAARO Cc1nc(N2CCOCC2)cc(NCCNS(=O)(=O)c2cc(F)ccc2F)[nH+]1 ZINC000065361815 558972559 /nfs/dbraw/zinc/97/25/59/558972559.db2.gz RCXDAPXECHJPPE-UHFFFAOYSA-N 1 0 413.450 1.290 50 0 HDAARO COc1ccc(C(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)cc1OC ZINC000065362843 558973737 /nfs/dbraw/zinc/97/37/37/558973737.db2.gz WJTBIPWAHXUHQS-UHFFFAOYSA-N 1 0 401.467 1.481 50 0 HDAARO O=C(COc1cccc(-n2cnnn2)c1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072474246 558983644 /nfs/dbraw/zinc/98/36/44/558983644.db2.gz WBKIPCUMGIRADK-IBGZPJMESA-N 1 0 406.490 1.864 50 0 HDAARO CS[C@@H]1CN(S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000097097539 558992367 /nfs/dbraw/zinc/99/23/67/558992367.db2.gz SKHGGXJYVIMRPW-ZWKOTPCHSA-N 1 0 412.577 1.961 50 0 HDAARO CS(=O)(=O)c1cnc(N2CCN(c3ccccc3)CC2)nc1[C@H]1CCC[NH2+]C1 ZINC000077472467 559006838 /nfs/dbraw/zinc/00/68/38/559006838.db2.gz ADJDQQATCBSZOE-INIZCTEOSA-N 1 0 401.536 1.674 50 0 HDAARO COC[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)NCc2cn3cc(C)sc3n2)c(=O)[nH]1 ZINC000077488014 559007221 /nfs/dbraw/zinc/00/72/21/559007221.db2.gz FSYZUQINEPIUJR-MRXNPFEDSA-N 1 0 415.519 1.933 50 0 HDAARO CCCCN1CCN([C@@H](C(=O)NC2CC[NH+](C)CC2)c2ccccc2)C(=O)C1=O ZINC000077566415 559009343 /nfs/dbraw/zinc/00/93/43/559009343.db2.gz DGDKZQZXOJPGNK-LJQANCHMSA-N 1 0 400.523 1.409 50 0 HDAARO Cc1ncc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c(=O)[nH]1 ZINC000082096461 559037300 /nfs/dbraw/zinc/03/73/00/559037300.db2.gz GUGSNOZMZYUSPB-MRXNPFEDSA-N 1 0 401.511 1.017 50 0 HDAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CCOCC3)CC2)C1 ZINC000082127263 559039875 /nfs/dbraw/zinc/03/98/75/559039875.db2.gz RKLQUHREELSHMW-IBGZPJMESA-N 1 0 414.550 1.827 50 0 HDAARO COc1ccnc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082138426 559040519 /nfs/dbraw/zinc/04/05/19/559040519.db2.gz CTHVZPIKXFVVST-KRWDZBQOSA-N 1 0 410.522 1.877 50 0 HDAARO Cc1cc(N2CC[C@H]([NH+]3CCOCC3)[C@H](CCC(=O)[O-])C2)nc(N2CCCC2)[nH+]1 ZINC000091706840 559073194 /nfs/dbraw/zinc/07/31/94/559073194.db2.gz BYSHVKWIBBJFMJ-MSOLQXFVSA-N 1 0 403.527 1.777 50 0 HDAARO O=C(CN1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1)N1CCOc2ccccc21 ZINC000095387953 559080645 /nfs/dbraw/zinc/08/06/45/559080645.db2.gz SRPMPOGRBOBUNE-MOPGFXCFSA-N 1 0 403.523 1.207 50 0 HDAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2c[nH]c(=O)[nH]c2=O)CC1 ZINC000095503392 559082723 /nfs/dbraw/zinc/08/27/23/559082723.db2.gz KRXVPVIIQUBMLZ-UHFFFAOYSA-N 1 0 400.479 1.099 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cc(C)[nH]c(=O)c2)CC1 ZINC000095519609 559084867 /nfs/dbraw/zinc/08/48/67/559084867.db2.gz CFBCJJBCAJQZDF-LJQANCHMSA-N 1 0 402.539 1.916 50 0 HDAARO C[C@@H](C(=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1)[NH+]1CCCC1 ZINC000095519630 559084941 /nfs/dbraw/zinc/08/49/41/559084941.db2.gz QSWIMBWSRLYZGW-IBGZPJMESA-N 1 0 401.555 1.989 50 0 HDAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@@H](C)[NH+]1CCCC1)CC2 ZINC000095520283 559085083 /nfs/dbraw/zinc/08/50/83/559085083.db2.gz VYZPBGYAEJPFJT-MRXNPFEDSA-N 1 0 403.527 1.133 50 0 HDAARO Cc1n[nH]c(CCC(=O)N2CCC3(CCC(=O)N([C@@H]4CC[N@@H+](C)C4)C3)CC2)c1C ZINC000095519759 559085120 /nfs/dbraw/zinc/08/51/20/559085120.db2.gz MAAMTUXLEQXNFJ-GOSISDBHSA-N 1 0 401.555 1.894 50 0 HDAARO COc1cccc(CNC(=O)CC[C@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)c1 ZINC000095523713 559085579 /nfs/dbraw/zinc/08/55/79/559085579.db2.gz LHZISDCVTZIQKT-GOSISDBHSA-N 1 0 403.523 1.662 50 0 HDAARO CC[NH+](CC)CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O ZINC000005042294 559235691 /nfs/dbraw/zinc/23/56/91/559235691.db2.gz FTLKRWZLTJMKSI-UHFFFAOYSA-N 1 0 422.551 1.251 50 0 HDAARO C[C@@H]1Sc2ccc(C(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)cc2NC1=O ZINC000247963638 559257119 /nfs/dbraw/zinc/25/71/19/559257119.db2.gz FXOBBRDJNYDYRA-BBRMVZONSA-N 1 0 404.536 1.792 50 0 HDAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)c1ccccc1 ZINC000011998113 559270072 /nfs/dbraw/zinc/27/00/72/559270072.db2.gz WWOZPTWJYXQQEA-SFHVURJKSA-N 1 0 401.488 1.786 50 0 HDAARO CCN(CC)c1ccc(C2=[NH+]O[C@H](Cn3c(=O)c4c(ncn4C)n(C)c3=O)C2)cc1 ZINC000005207931 560538654 /nfs/dbraw/zinc/53/86/54/560538654.db2.gz RXBOXRIRJHPKBB-INIZCTEOSA-N 1 0 410.478 1.473 50 0 HDAARO Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000049543634 568451154 /nfs/dbraw/zinc/45/11/54/568451154.db2.gz JOLWOGOITWIEIO-PKOBYXMFSA-N 1 0 423.517 1.970 50 0 biogenic HDAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)N4CCN(C)CC4)c(C)c32)CC1 ZINC000033048376 568510834 /nfs/dbraw/zinc/51/08/34/568510834.db2.gz MNCCHTYTXIVEPB-UHFFFAOYSA-N 1 0 402.568 1.919 50 0 HDAARO CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCC[NH+](CC)CC)CC1 ZINC000020287889 568597532 /nfs/dbraw/zinc/59/75/32/568597532.db2.gz OAHJPOATIDDZAC-HKUYNNGSSA-N 1 0 423.627 1.389 50 0 HDAARO CCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCC[NH+](CC)CC)CC1 ZINC000020287891 568597562 /nfs/dbraw/zinc/59/75/62/568597562.db2.gz OAHJPOATIDDZAC-MJGOQNOKSA-N 1 0 423.627 1.389 50 0 HDAARO CC[NH+](CC)CCCNC(=O)Cn1ncn2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000020466359 568610355 /nfs/dbraw/zinc/61/03/55/568610355.db2.gz ZKRCZFPOKVYONG-UHFFFAOYSA-N 1 0 412.494 1.415 50 0 HDAARO Cn1cc(S(=O)(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cc1C(N)=O ZINC000040118782 568620331 /nfs/dbraw/zinc/62/03/31/568620331.db2.gz YBJVAIFVXGCJMB-IBGZPJMESA-N 1 0 418.563 1.875 50 0 HDAARO Cn1c(C(=O)N2CCC(C(=O)NC(=O)C3CC[NH2+]CC3)CC2)cc2sccc21 ZINC000020861964 568645888 /nfs/dbraw/zinc/64/58/88/568645888.db2.gz JHACLGCUBNCHQZ-UHFFFAOYSA-N 1 0 402.520 1.734 50 0 HDAARO Cc1ccccc1C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000095950751 568667549 /nfs/dbraw/zinc/66/75/49/568667549.db2.gz MVSBYRAWAHJTKH-UHFFFAOYSA-N 1 0 416.547 1.733 50 0 HDAARO CC1CC[NH+](CCNC(=O)c2cnc3sc(N4CCCCCC4)nn3c2=O)CC1 ZINC000021161786 568674522 /nfs/dbraw/zinc/67/45/22/568674522.db2.gz HMQAFCSXPKWUFF-UHFFFAOYSA-N 1 0 418.567 1.993 50 0 HDAARO CCCc1cc(=O)n2nc(N(C)CC(=O)NCC[NH+]3CCCCCC3)sc2n1 ZINC000021165534 568674569 /nfs/dbraw/zinc/67/45/69/568674569.db2.gz QSAOSPQMAQFRAK-UHFFFAOYSA-N 1 0 406.556 1.532 50 0 HDAARO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000096012788 568685036 /nfs/dbraw/zinc/68/50/36/568685036.db2.gz DGPWKEJAEMXSFY-INIZCTEOSA-N 1 0 400.504 1.183 50 0 HDAARO CC[NH+](CC)CCNC(=O)[C@@H](C)n1nc(-c2ccc(OC)cc2)c(OC)cc1=O ZINC000096101074 568691169 /nfs/dbraw/zinc/69/11/69/568691169.db2.gz YZRZHFFWOSFWPQ-OAHLLOKOSA-N 1 0 402.495 1.947 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000096210262 568704500 /nfs/dbraw/zinc/70/45/00/568704500.db2.gz SJCIAXZAFULNMB-FQEVSTJZSA-N 1 0 416.522 1.846 50 0 HDAARO CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000021522427 568708732 /nfs/dbraw/zinc/70/87/32/568708732.db2.gz KGACGOBYFPUUBO-UHFFFAOYSA-N 1 0 418.538 1.770 50 0 HDAARO CCn1ccnc1CNCc1ccc(OC[C@@H](O)C[NH+]2CCSCC2)c(OC)c1 ZINC000012446244 568731791 /nfs/dbraw/zinc/73/17/91/568731791.db2.gz BEUCLWVSBYHNET-SFHVURJKSA-N 1 0 420.579 1.990 50 0 HDAARO CCc1nc2c(s1)c(C)nn(CC(=O)NCC[N@@H+]1CCc3ccccc3C1)c2=O ZINC000096400113 568749423 /nfs/dbraw/zinc/74/94/23/568749423.db2.gz SQLZQZMSVAPPBL-UHFFFAOYSA-N 1 0 411.531 1.898 50 0 HDAARO COc1ccc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cn1 ZINC000299771640 568874269 /nfs/dbraw/zinc/87/42/69/568874269.db2.gz RSAXEDZOGVXQJC-IBGZPJMESA-N 1 0 416.522 1.169 50 0 HDAARO Cc1noc(C)c1CC(=O)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299775783 568874816 /nfs/dbraw/zinc/87/48/16/568874816.db2.gz JMXMBRSMNYAERL-LJQANCHMSA-N 1 0 418.538 1.300 50 0 HDAARO O=C(Cc1cccnc1)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299799746 568876513 /nfs/dbraw/zinc/87/65/13/568876513.db2.gz ZVRYWGFUKMARHS-HXUWFJFHSA-N 1 0 400.523 1.090 50 0 HDAARO CCCC[N@@H+]1CCn2nc(CNC(=O)NCc3nc(C(F)(F)F)n[nH]3)cc2C1 ZINC000534593072 568878182 /nfs/dbraw/zinc/87/81/82/568878182.db2.gz XUNJTVCWDCOQEH-UHFFFAOYSA-N 1 0 400.409 1.635 50 0 HDAARO COc1ccc(CN2CCNC(=O)C2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012714294 568917866 /nfs/dbraw/zinc/91/78/66/568917866.db2.gz SJWMYCXURMHJRA-HXUWFJFHSA-N 1 0 413.518 1.499 50 0 HDAARO C[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 ZINC000012766428 568948570 /nfs/dbraw/zinc/94/85/70/568948570.db2.gz IWFDAPJVGMECFP-AWEZNQCLSA-N 1 0 401.479 1.530 50 0 HDAARO Cc1cccc(Cn2c3c(nc2N2CC[NH+](CCC(C)C)CC2)n(C)c(=O)[nH]c3=O)c1 ZINC000004316502 568962224 /nfs/dbraw/zinc/96/22/24/568962224.db2.gz IRVOMKKCAPKBHG-UHFFFAOYSA-N 1 0 424.549 1.948 50 0 HDAARO CCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)CC1 ZINC000004316525 568962309 /nfs/dbraw/zinc/96/23/09/568962309.db2.gz HUBGBWRDCWVJFC-UHFFFAOYSA-N 1 0 400.458 1.143 50 0 HDAARO NC(=O)COc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000670465042 568968140 /nfs/dbraw/zinc/96/81/40/568968140.db2.gz FOTYYMMTAQXNEQ-GOSISDBHSA-N 1 0 417.531 1.709 50 0 HDAARO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CSC3=[NH+]CCN3)cc2)C1 ZINC000012821310 569005571 /nfs/dbraw/zinc/00/55/71/569005571.db2.gz YHZSBDKXBJBIJH-OKILXGFUSA-N 1 0 410.565 1.984 50 0 HDAARO COc1cc(C(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)cc(OC)c1OC ZINC000015838296 569013704 /nfs/dbraw/zinc/01/37/04/569013704.db2.gz ASSSRZLXJRAQPQ-UHFFFAOYSA-N 1 0 415.494 1.839 50 0 HDAARO O=C(CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N1CC[NH2+]CC1 ZINC000015862675 569015988 /nfs/dbraw/zinc/01/59/88/569015988.db2.gz LMIFIERZJDFPBN-UHFFFAOYSA-N 1 0 405.495 1.839 50 0 HDAARO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2)cc1C ZINC000015864183 569016403 /nfs/dbraw/zinc/01/64/03/569016403.db2.gz SUELPXIGBHALFL-UHFFFAOYSA-N 1 0 401.532 1.926 50 0 HDAARO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000015957129 569024577 /nfs/dbraw/zinc/02/45/77/569024577.db2.gz BGSMTQUYFYYNNC-KGYLXKDPSA-N 1 0 419.437 1.996 50 0 biogenic HDAARO O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000575608324 569032212 /nfs/dbraw/zinc/03/22/12/569032212.db2.gz SAZAMPDDWPZCIK-KRWDZBQOSA-N 1 0 421.519 1.119 50 0 HDAARO C[NH+]1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(OC(F)F)cc3)cn2)CC1 ZINC000012997192 569048326 /nfs/dbraw/zinc/04/83/26/569048326.db2.gz ZHVUMBILYTXNRM-UHFFFAOYSA-N 1 0 419.432 1.803 50 0 HDAARO CN(C[C@H](O)CN1CC[NH+](C)CC1)C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000089382669 569058811 /nfs/dbraw/zinc/05/88/11/569058811.db2.gz CNRODABAPHPXLP-INIZCTEOSA-N 1 0 403.445 1.585 50 0 HDAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2cccc(I)c2)n1 ZINC000006533228 569064242 /nfs/dbraw/zinc/06/42/42/569064242.db2.gz FEVHYILPHAYOML-UHFFFAOYSA-N 1 0 401.233 1.976 50 0 HDAARO COc1ccc(-c2cc(C(=O)N3CCC[C@H](C(=O)NCC[NH+](C)C)C3)no2)cc1 ZINC000035989307 569074419 /nfs/dbraw/zinc/07/44/19/569074419.db2.gz HNNAIHIGBQBTFA-INIZCTEOSA-N 1 0 400.479 1.880 50 0 HDAARO COc1ccc(OC)c(-c2cc(C(=O)N[C@H](C(=O)NCC[NH+](C)C)C(C)C)no2)c1 ZINC000036016070 569076576 /nfs/dbraw/zinc/07/65/76/569076576.db2.gz WRSBGEHAEMYMRD-IBGZPJMESA-N 1 0 418.494 1.791 50 0 HDAARO Cc1cc(C)cc(-n2nc(C(=O)NCC[NH+](C)C)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036093957 569089456 /nfs/dbraw/zinc/08/94/56/569089456.db2.gz KFUXNCKZQPEPDZ-UHFFFAOYSA-N 1 0 421.501 1.351 50 0 HDAARO CC[C@@H](C(=O)NCCN1CC[NH+](CC)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787525 569094220 /nfs/dbraw/zinc/09/42/20/569094220.db2.gz MOKNFFODCPJBEM-IBGZPJMESA-N 1 0 424.549 1.593 50 0 HDAARO C[N@H+](CCNC(=O)c1cc(=O)nc2sc(N3CCCC3)nn21)C1CCCCC1 ZINC000064837032 569105058 /nfs/dbraw/zinc/10/50/58/569105058.db2.gz DUKJVLAMCYUBKC-UHFFFAOYSA-N 1 0 404.540 1.746 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)C2CCN(c3ccc(N4CCCC4)nn3)CC2)CC1 ZINC000064873110 569113914 /nfs/dbraw/zinc/11/39/14/569113914.db2.gz LPDNUPKRHJPFIF-UHFFFAOYSA-N 1 0 415.586 1.047 50 0 HDAARO Cn1c2sc(C(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)cc2c(=O)n(C)c1=O ZINC000064950552 569129523 /nfs/dbraw/zinc/12/95/23/569129523.db2.gz SDVBGGVVTFDRBE-UHFFFAOYSA-N 1 0 416.503 1.628 50 0 HDAARO CC(C)NC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025104 569156245 /nfs/dbraw/zinc/15/62/45/569156245.db2.gz RTYBDKWPPZZSFU-UHFFFAOYSA-N 1 0 421.498 1.569 50 0 HDAARO CC1CC[NH+](CCNC(=O)c2nc(CCS(=O)(=O)c3ccc(F)cc3)no2)CC1 ZINC000065117571 569180270 /nfs/dbraw/zinc/18/02/70/569180270.db2.gz LEWRMVFUWOZQKB-UHFFFAOYSA-N 1 0 424.498 1.687 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1 ZINC000065117638 569180649 /nfs/dbraw/zinc/18/06/49/569180649.db2.gz LUWFNGDDTQRYGU-CQSZACIVSA-N 1 0 422.507 1.309 50 0 HDAARO CC1CC[NH+](CCNC(=O)c2nnc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)CC1 ZINC000065114006 569180971 /nfs/dbraw/zinc/18/09/71/569180971.db2.gz YLSXUTKZGVESBP-UHFFFAOYSA-N 1 0 421.523 1.449 50 0 HDAARO O=C(NCC[NH+]1CCCCC1)C1CCN(c2cncnc2N2CCOCC2)CC1 ZINC000065226811 569200046 /nfs/dbraw/zinc/20/00/46/569200046.db2.gz RZOUIRIPVCSGRA-UHFFFAOYSA-N 1 0 402.543 1.132 50 0 HDAARO O=C(NCCCN1CCOCC1)c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000065256241 569208172 /nfs/dbraw/zinc/20/81/72/569208172.db2.gz KBFLVSACVSGYRX-NRFANRHFSA-N 1 0 409.534 1.685 50 0 HDAARO CCC[NH+]1CCN(C(=O)[C@@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)CC1 ZINC000065273756 569214705 /nfs/dbraw/zinc/21/47/05/569214705.db2.gz VKLCYUFYXVPRST-QGZVFWFLSA-N 1 0 419.595 1.471 50 0 HDAARO CC1CC[NH+](CCCNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)CC1 ZINC000004035726 569255293 /nfs/dbraw/zinc/25/52/93/569255293.db2.gz XNRVZGFYJHWWMF-UHFFFAOYSA-N 1 0 414.616 1.667 50 0 HDAARO Cc1cc(NC(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000250876878 569258387 /nfs/dbraw/zinc/25/83/87/569258387.db2.gz MADSUZUXPMRULE-ROUUACIJSA-N 1 0 423.583 1.440 50 0 HDAARO O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000089840317 569267009 /nfs/dbraw/zinc/26/70/09/569267009.db2.gz PWORPNHVVBMRBK-FQEVSTJZSA-N 1 0 421.563 1.304 50 0 HDAARO COc1cn(CC(=O)Nc2ccc(C(N)=O)cc2)c(C[NH+]2CCCCCC2)cc1=O ZINC000016974465 569269664 /nfs/dbraw/zinc/26/96/64/569269664.db2.gz NDCYDEAPGGFSIL-UHFFFAOYSA-N 1 0 412.490 1.971 50 0 HDAARO CSC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(N)=O)C(=O)N2CCc1ccccc1 ZINC000014743357 569292033 /nfs/dbraw/zinc/29/20/33/569292033.db2.gz CDGIZOSMWGLYNB-MRXNPFEDSA-N 1 0 418.563 1.565 50 0 HDAARO CCCn1c(N)c([C@@H](c2cc(OC)c(OC)c(OC)c2)[NH+]2CCCC2)c(=O)[nH]c1=O ZINC000007777528 569308707 /nfs/dbraw/zinc/30/87/07/569308707.db2.gz KJBHPNQANCKGPR-QGZVFWFLSA-N 1 0 418.494 1.740 50 0 HDAARO CC(=O)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)COc4ccccc4)CC3)C2)CC1 ZINC000581820178 569321095 /nfs/dbraw/zinc/32/10/95/569321095.db2.gz WPXSWTOAZTZERF-FQEVSTJZSA-N 1 0 415.534 1.770 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCCn2cncn2)CC1 ZINC000012050795 569364987 /nfs/dbraw/zinc/36/49/87/569364987.db2.gz WEABWPAODKCKRK-LJQANCHMSA-N 1 0 404.559 1.678 50 0 HDAARO CCOc1ccc([C@@H]2NC(=O)N=C(CN3CCC[N@H+](C)CC3)C2C(=O)OC)cc1 ZINC000067287213 571065088 /nfs/dbraw/zinc/06/50/88/571065088.db2.gz YGDKMQAADCQHSH-IBGZPJMESA-N 1 0 402.495 1.504 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286955 571065175 /nfs/dbraw/zinc/06/51/75/571065175.db2.gz OIQDJTGWABPUML-GOSISDBHSA-N 1 0 404.536 1.827 50 0 HDAARO O=C(Nc1cccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1)[C@H]1CCCO1 ZINC000040118548 571174803 /nfs/dbraw/zinc/17/48/03/571174803.db2.gz DXWDHTFZVJGZGU-HXUWFJFHSA-N 1 0 401.507 1.989 50 0 HDAARO COc1cccc(-c2n[nH]cc2C[NH2+]CCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000040153284 571200912 /nfs/dbraw/zinc/20/09/12/571200912.db2.gz APYAQLJVANVRBA-GASCZTMLSA-N 1 0 408.524 1.614 50 0 HDAARO CCOc1ccc(C(=O)N[C@@H](C)C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1 ZINC000008996833 571209205 /nfs/dbraw/zinc/20/92/05/571209205.db2.gz HDPYCQXCWNITQD-HNNXBMFYSA-N 1 0 411.506 1.590 50 0 HDAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCNC(=O)c2ccc3cccnc3n2)CC1 ZINC000245130865 571214939 /nfs/dbraw/zinc/21/49/39/571214939.db2.gz VBRQNHQQSMVCFU-SFHVURJKSA-N 1 0 415.538 1.153 50 0 HDAARO COc1ccc(-c2cc3c(=O)n(CC(=O)NCC[N@@H+]4CCCC[C@@H]4C)ncn3n2)cc1 ZINC000009727397 571282602 /nfs/dbraw/zinc/28/26/02/571282602.db2.gz QQAZPTAMPNYWFK-INIZCTEOSA-N 1 0 424.505 1.557 50 0 HDAARO Cc1cn2c3c(nc2n1CC[NH+](C)C)n(C)c(=O)n(Cc1cccc(Cl)c1)c3=O ZINC000010233401 571297629 /nfs/dbraw/zinc/29/76/29/571297629.db2.gz JWHPUPMQTFCHOK-UHFFFAOYSA-N 1 0 414.897 1.721 50 0 HDAARO O=C(C[C@@H]1C(=O)NCCN1Cc1cccnc1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000012387741 1073549078 /nfs/dbraw/zinc/54/90/78/1073549078.db2.gz KBCTZVLAUVPAMM-OAQYLSRUSA-N 1 0 413.566 1.639 50 0 HDAARO CC(C)[C@@H](CNS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1)[NH+]1CCCC1 ZINC000820696230 1075647931 /nfs/dbraw/zinc/64/79/31/1075647931.db2.gz CMJROKIYEOOWLU-QGZVFWFLSA-N 1 0 418.585 1.304 50 0 HDAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cc(C)c(C)[nH]c2=O)CC1 ZINC000012580646 1075750589 /nfs/dbraw/zinc/75/05/89/1075750589.db2.gz YTBXFRISTYWIFA-IBGZPJMESA-N 1 0 405.539 1.971 50 0 HDAARO COc1ccccc1N1CC[NH+](CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1 ZINC000002012436 132248522 /nfs/dbraw/zinc/24/85/22/132248522.db2.gz HIHZDNKKIUQQSC-UHFFFAOYSA-N 1 0 401.511 1.025 50 0 in-vitro HDAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)[nH+]1 ZINC000009620730 132341791 /nfs/dbraw/zinc/34/17/91/132341791.db2.gz QHXYJFHEVALPFO-GOSISDBHSA-N 1 0 411.506 1.738 50 0 HDAARO CC[NH+]1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3nccn3C)c2)CC1 ZINC000020598977 521684862 /nfs/dbraw/zinc/68/48/62/521684862.db2.gz HEFPHMUOILSOGQ-HXUWFJFHSA-N 1 0 401.555 1.429 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]21c2ccccc2NC1=O ZINC000020548508 523292617 /nfs/dbraw/zinc/29/26/17/523292617.db2.gz SUAAXFICVDZZOP-MTXNFPGFSA-N 1 0 419.481 1.686 50 0 HDAARO COc1ccc(CCN2C[C@@H](C(=O)N3CC[NH+](CC(C)C)CC3)CC2=O)cc1OC ZINC000043008177 523950773 /nfs/dbraw/zinc/95/07/73/523950773.db2.gz ADJDFAXNPSOKRG-IBGZPJMESA-N 1 0 417.550 1.895 50 0 HDAARO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000032815213 524043601 /nfs/dbraw/zinc/04/36/01/524043601.db2.gz MIUKNSUJMNCRTL-UHFFFAOYSA-N 1 0 413.849 1.753 50 0 HDAARO Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000045974347 525511651 /nfs/dbraw/zinc/51/16/51/525511651.db2.gz QCBQGTVTNZYNHX-UHFFFAOYSA-N 1 0 415.559 1.969 50 0 HDAARO Cc1ccc(S(=O)(=O)N(CCN2CCCCC2)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000045974778 525511947 /nfs/dbraw/zinc/51/19/47/525511947.db2.gz ZHWUMUYJGLASED-UHFFFAOYSA-N 1 0 422.595 1.212 50 0 HDAARO O=C(CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1=O)NCC[NH+]1CCCCC1 ZINC000035537136 526763126 /nfs/dbraw/zinc/76/31/26/526763126.db2.gz DMYDJMOGYHHKGY-UHFFFAOYSA-N 1 0 421.929 1.618 50 0 HDAARO O=C(c1nc2ccccn2c1CN1CCNC(=O)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019952138 526917764 /nfs/dbraw/zinc/91/77/64/526917764.db2.gz VGRONOWRBRMJET-UHFFFAOYSA-N 1 0 424.549 1.357 50 0 HDAARO CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCC([NH+]2CCOCC2)CC1 ZINC000022639406 557490226 /nfs/dbraw/zinc/49/02/26/557490226.db2.gz JOBAPLBFVDIWGC-UHFFFAOYSA-N 1 0 402.499 1.229 50 0 HDAARO COc1ccc(N2C(=O)C[C@H]([NH2+]C3CCN(c4cc(C)nc(C)n4)CC3)C2=O)cc1 ZINC000004770827 557596477 /nfs/dbraw/zinc/59/64/77/557596477.db2.gz NHCUJEZIPLIHQR-IBGZPJMESA-N 1 0 409.490 1.993 50 0 HDAARO Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022778614 557821491 /nfs/dbraw/zinc/82/14/91/557821491.db2.gz UTHSXNNFTAEHTO-OAQYLSRUSA-N 1 0 412.509 1.855 50 0 HDAARO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000019791079 558282465 /nfs/dbraw/zinc/28/24/65/558282465.db2.gz NFCPJMVIXFKRKY-KRWDZBQOSA-N 1 0 421.906 1.447 50 0 HDAARO COc1cc(CN2CCCN(C(C)=O)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011839557 558286107 /nfs/dbraw/zinc/28/61/07/558286107.db2.gz LQJNYUTUNFROEM-HXUWFJFHSA-N 1 0 407.555 1.829 50 0 HDAARO COC(=O)C1=C(O)NC(N2CCN(Cc3ccccc3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000019818012 558288242 /nfs/dbraw/zinc/28/82/42/558288242.db2.gz NSAZRCMDPIAHQB-PMACEKPBSA-N 1 0 406.486 1.821 50 0 HDAARO COc1ccc(CN2CCCN(C=O)CC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012051262 558314168 /nfs/dbraw/zinc/31/41/68/558314168.db2.gz AWQYFUHXSSOWOY-HXUWFJFHSA-N 1 0 405.539 1.585 50 0 HDAARO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccccc4)CC3)O2)NC(=S)N1 ZINC000012135352 558333820 /nfs/dbraw/zinc/33/38/20/558333820.db2.gz WGAWWYNMXBYBJU-NEWSRXKRSA-N 1 0 416.591 1.941 50 0 HDAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3cccc(OCCO)c3)CC2)O1)[C@H]1CCCO1 ZINC000012182976 558343930 /nfs/dbraw/zinc/34/39/30/558343930.db2.gz LVPWTIMEPDYLOD-LEWJYISDSA-N 1 0 418.534 1.867 50 0 HDAARO COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C[NH+]3CCCCC3)C2)cc1 ZINC000012202832 558351736 /nfs/dbraw/zinc/35/17/36/558351736.db2.gz WPXXAYOZKAHMPT-KRWDZBQOSA-N 1 0 409.552 1.698 50 0 HDAARO COc1cc(C[NH2+]CCc2c(C)n[nH]c2C)ccc1OC[C@H](O)CN1CCOCC1 ZINC000020362742 558358180 /nfs/dbraw/zinc/35/81/80/558358180.db2.gz PPBXFIRNLVXYQD-LJQANCHMSA-N 1 0 418.538 1.439 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@]2(CC)CCC(=O)NC2=O)cc1 ZINC000012409047 558399649 /nfs/dbraw/zinc/39/96/49/558399649.db2.gz CGHVAHMREGLLNB-VGOFRKELSA-N 1 0 414.506 1.310 50 0 HDAARO COc1ccc(OC)c(C[N@H+]2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)c1 ZINC000020908575 558421762 /nfs/dbraw/zinc/42/17/62/558421762.db2.gz HFQRBGCAIHBIQT-UHFFFAOYSA-N 1 0 413.522 1.812 50 0 HDAARO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)CCNC(C)=O ZINC000012575084 558430669 /nfs/dbraw/zinc/43/06/69/558430669.db2.gz GZBBBZMBBJLHAP-IBGZPJMESA-N 1 0 401.551 1.867 50 0 HDAARO COc1cc(CN2CCNC(=O)C2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012713667 558454149 /nfs/dbraw/zinc/45/41/49/558454149.db2.gz CEEWBRFSBYLEHJ-IBGZPJMESA-N 1 0 405.539 1.633 50 0 HDAARO CC[NH+](CC)[C@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000022758714 558508099 /nfs/dbraw/zinc/50/80/99/558508099.db2.gz MGBKJNWGSHQWML-GOSISDBHSA-N 1 0 409.490 1.445 50 0 HDAARO COc1ccc(Cn2c(=O)c3ccccc3n(CCN3CC[NH+](C)CC3)c2=O)cc1 ZINC000022873118 558518066 /nfs/dbraw/zinc/51/80/66/558518066.db2.gz JDIQYGYDBDDXFU-UHFFFAOYSA-N 1 0 408.502 1.468 50 0 HDAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CCN1CCOCC1)C2 ZINC000023353985 558551093 /nfs/dbraw/zinc/55/10/93/558551093.db2.gz UEAHNMWIXVSRIB-SFHVURJKSA-N 1 0 403.571 1.554 50 0 HDAARO COCCS(=O)(=O)c1ncc(CN2CC[N@@H+]3CCC[C@@H]3C2)n1Cc1ccccc1 ZINC000023375527 558554759 /nfs/dbraw/zinc/55/47/59/558554759.db2.gz KTGURTXAMHSXIB-LJQANCHMSA-N 1 0 418.563 1.632 50 0 HDAARO Cn1c(C(=O)NCCN2CC[NH+](C)CC2)cc2c1CCN(Cc1cccc(F)c1)C2 ZINC000065211138 558655425 /nfs/dbraw/zinc/65/54/25/558655425.db2.gz JUIWILCNWPALOA-UHFFFAOYSA-N 1 0 413.541 1.700 50 0 HDAARO Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1F)C2 ZINC000014751559 558670851 /nfs/dbraw/zinc/67/08/51/558670851.db2.gz SOLLFEDBVSAOCI-KRWDZBQOSA-N 1 0 415.513 1.268 50 0 HDAARO COc1ccc(Cc2nnc(C(=O)NCCCN3CC[NH+](C)CC3)o2)cc1OC ZINC000022936369 558674342 /nfs/dbraw/zinc/67/43/42/558674342.db2.gz RWXOOIADDRMNCH-UHFFFAOYSA-N 1 0 403.483 1.045 50 0 HDAARO COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@H+](CC1CC1)CC2 ZINC000014881655 558676228 /nfs/dbraw/zinc/67/62/28/558676228.db2.gz YJVVYMSBJHTYFY-KRWDZBQOSA-N 1 0 417.506 1.293 50 0 HDAARO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000014954871 558682021 /nfs/dbraw/zinc/68/20/21/558682021.db2.gz VLVYLDDJQYYIQF-HNNXBMFYSA-N 1 0 415.494 1.321 50 0 HDAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2cccnc2)CC3)cc1 ZINC000014973943 558688645 /nfs/dbraw/zinc/68/86/45/558688645.db2.gz DHFAMXNXQBGTNJ-UHFFFAOYSA-N 1 0 406.490 1.713 50 0 HDAARO COc1cccc(C[NH2+]CC2(O)CCCCC2)c1OC[C@H](O)CN1CCOCC1 ZINC000015063556 558706211 /nfs/dbraw/zinc/70/62/11/558706211.db2.gz NCFFMAPQVMFNRF-LJQANCHMSA-N 1 0 408.539 1.552 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016022209 558767982 /nfs/dbraw/zinc/76/79/82/558767982.db2.gz IXFIEDYTXCYCOX-YYQBIWNASA-N 1 0 405.882 1.753 50 0 HDAARO CC(C)[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000016033218 558769350 /nfs/dbraw/zinc/76/93/50/558769350.db2.gz GTXSVSJZDQTYDC-YJRWFECGSA-N 1 0 417.893 1.895 50 0 HDAARO CC(C)(C)c1ccc(OCC[NH2+]CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000016695413 558800967 /nfs/dbraw/zinc/80/09/67/558800967.db2.gz UEVRVPDRZYJJST-UHFFFAOYSA-N 1 0 419.547 1.916 50 0 HDAARO CCc1ccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)cc1 ZINC000038488313 558811572 /nfs/dbraw/zinc/81/15/72/558811572.db2.gz JHKLTVDXXKJBAA-UHFFFAOYSA-N 1 0 405.524 1.574 50 0 HDAARO Cc1nnc(C(=O)Nc2cccc(C(=O)NCCCN3CC[NH+](C)CC3)c2)s1 ZINC000033022592 558837771 /nfs/dbraw/zinc/83/77/71/558837771.db2.gz PWANLTHBAZNISY-UHFFFAOYSA-N 1 0 402.524 1.466 50 0 HDAARO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCCOC[C@H]2CCCO2)CC1 ZINC000058010604 558895044 /nfs/dbraw/zinc/89/50/44/558895044.db2.gz ARIHRWGBNJHGEY-QGZVFWFLSA-N 1 0 404.511 1.079 50 0 HDAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)CCc3nc(-c4cccnc4)no3)cn2)CC1 ZINC000058101394 558898896 /nfs/dbraw/zinc/89/88/96/558898896.db2.gz OVTOOMMVUJZMAM-UHFFFAOYSA-N 1 0 421.505 1.918 50 0 HDAARO Cc1ocnc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071714941 558907397 /nfs/dbraw/zinc/90/73/97/558907397.db2.gz ZOMNORAVVMOSFA-QGZVFWFLSA-N 1 0 403.527 1.074 50 0 HDAARO CCn1c2ccccc2nc(SCC(=O)NCCN2CC[NH+](CC)CC2)c1=O ZINC000033259824 558928612 /nfs/dbraw/zinc/92/86/12/558928612.db2.gz RVRDLGLYARKSRK-UHFFFAOYSA-N 1 0 403.552 1.262 50 0 HDAARO COc1ccc(CN(C)Cc2nccs2)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000019595175 558946019 /nfs/dbraw/zinc/94/60/19/558946019.db2.gz HJCDKAOXIBSMIY-SFHVURJKSA-N 1 0 420.579 1.771 50 0 HDAARO Cc1ccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)cc1C ZINC000065363261 558974099 /nfs/dbraw/zinc/97/40/99/558974099.db2.gz XVHQYVDNEBHAEA-UHFFFAOYSA-N 1 0 405.524 1.629 50 0 HDAARO CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000072436941 558980243 /nfs/dbraw/zinc/98/02/43/558980243.db2.gz ONPIGRLESFTCJX-IBGZPJMESA-N 1 0 408.568 1.069 50 0 HDAARO Cc1noc(C)c1S(=O)(=O)N1CCN(c2cc(N3CCCC3)[nH+]c(C)n2)CC1 ZINC000067603655 558988269 /nfs/dbraw/zinc/98/82/69/558988269.db2.gz IKKHDJNAJFVHCT-UHFFFAOYSA-N 1 0 406.512 1.501 50 0 HDAARO CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000067629577 558990224 /nfs/dbraw/zinc/99/02/24/558990224.db2.gz HCFUJVFCAMMVAG-INIZCTEOSA-N 1 0 424.567 1.617 50 0 HDAARO COc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)N2CC[NH+](C)CC2)cc1C ZINC000022457199 558995225 /nfs/dbraw/zinc/99/52/25/558995225.db2.gz MVSPVDWUWXDTFD-IBGZPJMESA-N 1 0 404.536 1.666 50 0 HDAARO CC[NH+]1CCN(CCCN2CC3(CCN(C(=O)[C@H]4CCCO4)CC3)OC2=O)CC1 ZINC000077342745 559001872 /nfs/dbraw/zinc/00/18/72/559001872.db2.gz MPYUFSRMZRPELE-GOSISDBHSA-N 1 0 408.543 1.006 50 0 HDAARO Cc1ccc(C)c(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCC[N@@H+](C)CC3)[C@H]4C2=O)c1 ZINC000077393143 559003660 /nfs/dbraw/zinc/00/36/60/559003660.db2.gz FQPJGMRWMSXWPR-XARGGIHNSA-N 1 0 409.530 1.750 50 0 HDAARO COc1ccc(-n2nc(Cc3ccccc3)n(CC(=O)NCC[NH+](C)C)c2=O)cc1 ZINC000077536226 559008643 /nfs/dbraw/zinc/00/86/43/559008643.db2.gz WDGBGBAACVOVFR-UHFFFAOYSA-N 1 0 409.490 1.311 50 0 HDAARO CN(C)S(=O)(=O)N(CC(=O)NCC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000033269412 559032201 /nfs/dbraw/zinc/03/22/01/559032201.db2.gz PYJUMBRZDANNJO-UHFFFAOYSA-N 1 0 404.536 1.548 50 0 HDAARO NC(=O)C1(NC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CCCC1 ZINC000082096839 559037570 /nfs/dbraw/zinc/03/75/70/559037570.db2.gz GQNLZWCYSUEQCT-IBGZPJMESA-N 1 0 413.566 1.672 50 0 HDAARO CC(C)S(=O)(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082137312 559040350 /nfs/dbraw/zinc/04/03/50/559040350.db2.gz GRAYLYZEMCQWKF-GOSISDBHSA-N 1 0 408.568 1.612 50 0 HDAARO CC(C)S(=O)(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082156943 559041485 /nfs/dbraw/zinc/04/14/85/559041485.db2.gz XDPSQNITVNIMLX-KRWDZBQOSA-N 1 0 408.568 1.612 50 0 HDAARO CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000082162147 559041935 /nfs/dbraw/zinc/04/19/35/559041935.db2.gz KCBLDVSJCGJHTI-NRFANRHFSA-N 1 0 413.566 1.449 50 0 HDAARO Cc1cn(CCNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)nn1 ZINC000082162721 559041968 /nfs/dbraw/zinc/04/19/68/559041968.db2.gz KPRZAJKGZMLWFN-FQEVSTJZSA-N 1 0 411.554 1.474 50 0 HDAARO CSCC[C@H]([NH3+])C(=O)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000091505707 559071812 /nfs/dbraw/zinc/07/18/12/559071812.db2.gz LHLPRFCGJGUHNM-SFHVURJKSA-N 1 0 404.580 1.936 50 0 HDAARO CC(C)(NC(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1)C(N)=O ZINC000092028203 559075086 /nfs/dbraw/zinc/07/50/86/559075086.db2.gz LEAOUPCBKUXDMT-LJQANCHMSA-N 1 0 400.567 1.786 50 0 HDAARO C[NH+](C)CCCN1CC2(CCC1=O)CCN(C(=O)[C@@H](O)Cc1ccccc1)CC2 ZINC000095362292 559080135 /nfs/dbraw/zinc/08/01/35/559080135.db2.gz DDJQAQOOUANFKF-FQEVSTJZSA-N 1 0 401.551 1.773 50 0 HDAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)Cc1c[nH]c(=O)[nH]c1=O ZINC000095497054 559081527 /nfs/dbraw/zinc/08/15/27/559081527.db2.gz FLEXGTLVWPKJAG-HNNXBMFYSA-N 1 0 402.470 1.158 50 0 HDAARO COc1ccc(CN(C)Cc2ncc[nH]2)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095520741 559085363 /nfs/dbraw/zinc/08/53/63/559085363.db2.gz AMURCUAPZFHKDQ-GOSISDBHSA-N 1 0 403.527 1.037 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(CC)CC2)=[NH+][C@H]1c1ccc(O)c(OCC)c1 ZINC000096300837 559109030 /nfs/dbraw/zinc/10/90/30/559109030.db2.gz NNGNSJNOYJBEIP-ROUUACIJSA-N 1 0 418.494 1.135 50 0 HDAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(c4cc(C)nc(C)n4)CC3)C2=O)cc1 ZINC000100213529 559132012 /nfs/dbraw/zinc/13/20/12/559132012.db2.gz NHCUJEZIPLIHQR-LJQANCHMSA-N 1 0 409.490 1.993 50 0 HDAARO Cc1cc(=O)n2nc(N3CCC(C(=O)NCC[NH+]4CCCCCC4)CC3)sc2n1 ZINC000005148994 559253103 /nfs/dbraw/zinc/25/31/03/559253103.db2.gz ZAQCANHERKCAQN-UHFFFAOYSA-N 1 0 418.567 1.668 50 0 HDAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 ZINC000011998176 559270039 /nfs/dbraw/zinc/27/00/39/559270039.db2.gz GYDYBRLSHOIMJW-QGZVFWFLSA-N 1 0 417.487 1.913 50 0 HDAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@]21c2cc(Cl)ccc2NC1=O ZINC000005349003 560571216 /nfs/dbraw/zinc/57/12/16/560571216.db2.gz BXFSNOBRBARMKI-FHCKRJPBSA-N 1 0 418.881 1.124 50 0 HDAARO CN(CC(=O)Nc1cccc(NC2CC[NH+](C)CC2)c1)S(=O)(=O)c1cccnc1 ZINC000062580748 560631623 /nfs/dbraw/zinc/63/16/23/560631623.db2.gz FCRWIPFLTIDVFH-UHFFFAOYSA-N 1 0 417.535 1.847 50 0 HDAARO C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)c1cccs1 ZINC000062581200 560631748 /nfs/dbraw/zinc/63/17/48/560631748.db2.gz LXOOPOXGHHPADC-CABCVRRESA-N 1 0 402.586 1.854 50 0 HDAARO CC(C)N1C(=O)C[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1=O ZINC000102217122 560808958 /nfs/dbraw/zinc/80/89/58/560808958.db2.gz ZUAMUCMSBCOTQX-CXAGYDPISA-N 1 0 400.479 1.878 50 0 HDAARO O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCc1ccccc1CN1CCOCC1 ZINC000103309646 560840811 /nfs/dbraw/zinc/84/08/11/560840811.db2.gz FVOCBOQAEWENHX-PMACEKPBSA-N 1 0 411.502 1.476 50 0 HDAARO CCN1CCC[C@@H]1C[NH2+][C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000103416375 560842100 /nfs/dbraw/zinc/84/21/00/560842100.db2.gz QNVUULNMKWCSKY-SJLPKXTDSA-N 1 0 408.568 1.872 50 0 HDAARO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048309165 568436345 /nfs/dbraw/zinc/43/63/45/568436345.db2.gz BAKJKTAMHRLWSH-FQEVSTJZSA-N 1 0 416.501 1.475 50 0 HDAARO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048326210 568439001 /nfs/dbraw/zinc/43/90/01/568439001.db2.gz XXWGNXDBDUBWFW-FQEVSTJZSA-N 1 0 416.501 1.475 50 0 HDAARO C[C@H]1Oc2ccccc2N(CCC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000048368162 568442085 /nfs/dbraw/zinc/44/20/85/568442085.db2.gz NADPHEIQLZKBJQ-QGZVFWFLSA-N 1 0 401.507 1.761 50 0 HDAARO Cn1c2ccc(NC(=O)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2n(C)c1=O ZINC000049546185 568451435 /nfs/dbraw/zinc/45/14/35/568451435.db2.gz RVBJPOJQWWWUSG-UHFFFAOYSA-N 1 0 421.501 1.596 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)CC1 ZINC000020415720 568605909 /nfs/dbraw/zinc/60/59/09/568605909.db2.gz CQJQHZQFJUWDIX-UHFFFAOYSA-N 1 0 410.522 1.032 50 0 HDAARO CC(=O)[C@@H]1CC(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)=NN1c1ccccc1 ZINC000095455953 568617345 /nfs/dbraw/zinc/61/73/45/568617345.db2.gz NBHQTJUTXSMLBJ-JTSKRJEESA-N 1 0 411.550 1.837 50 0 HDAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1 ZINC000020614349 568637835 /nfs/dbraw/zinc/63/78/35/568637835.db2.gz SKNQYCFGDLVNBV-KRWDZBQOSA-N 1 0 411.458 1.863 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2ccc(CN3c4cc(C)nn4CCC3=O)cc2)CC1 ZINC000020938353 568652599 /nfs/dbraw/zinc/65/25/99/568652599.db2.gz NZGPAYAVZFYCQY-UHFFFAOYSA-N 1 0 424.549 1.496 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000020996374 568656909 /nfs/dbraw/zinc/65/69/09/568656909.db2.gz NWBHPUUUIMZWCE-INIZCTEOSA-N 1 0 402.568 1.661 50 0 HDAARO COc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)N2CC[NH+](C)CC2)cc1OC ZINC000021154855 568673254 /nfs/dbraw/zinc/67/32/54/568673254.db2.gz FDIYVTVODMQONG-SFHVURJKSA-N 1 0 422.551 1.309 50 0 HDAARO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH2+]CCN2CCOCC2)cc1 ZINC000025436836 568768846 /nfs/dbraw/zinc/76/88/46/568768846.db2.gz ICQZQLCMYOMDJT-UHFFFAOYSA-N 1 0 412.490 1.808 50 0 HDAARO CCCn1c(CCC(=O)NC2CC[NH+](CC)CC2)nc2cc(S(N)(=O)=O)ccc21 ZINC000029607330 568827709 /nfs/dbraw/zinc/82/77/09/568827709.db2.gz KEQNMXHPNBYGFS-UHFFFAOYSA-N 1 0 421.567 1.627 50 0 HDAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC000003524854 568861742 /nfs/dbraw/zinc/86/17/42/568861742.db2.gz ONTNNWWFWKYCDT-UHFFFAOYSA-N 1 0 408.509 1.156 50 0 HDAARO O=C(Cc1cccc(O)c1)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299755519 568872684 /nfs/dbraw/zinc/87/26/84/568872684.db2.gz DUEIAWAJBLGHGM-OAQYLSRUSA-N 1 0 415.534 1.400 50 0 HDAARO Cc1noc(C)c1CC(=O)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299775780 568874600 /nfs/dbraw/zinc/87/46/00/568874600.db2.gz JMXMBRSMNYAERL-IBGZPJMESA-N 1 0 418.538 1.300 50 0 HDAARO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1scc2c1OCCO2 ZINC000670448938 568921858 /nfs/dbraw/zinc/92/18/58/568921858.db2.gz LKEDVPOREJCFRQ-BGWLNWIQSA-N 1 0 411.527 1.817 50 0 HDAARO CC(C)[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000004084010 568939448 /nfs/dbraw/zinc/93/94/48/568939448.db2.gz KHXXCMYWWWENOE-BXWFABGCSA-N 1 0 402.539 1.590 50 0 biogenic HDAARO CC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000004083610 568939543 /nfs/dbraw/zinc/93/95/43/568939543.db2.gz JBFBADKGGFXWLW-UWVAXJGDSA-N 1 0 416.566 1.981 50 0 biogenic HDAARO CC[NH+](CC)CCNC(=O)CCCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC000004101427 568942675 /nfs/dbraw/zinc/94/26/75/568942675.db2.gz ODBFPMJZUSYNSZ-UHFFFAOYSA-N 1 0 421.567 1.429 50 0 HDAARO CC(=O)N1CCC(C[NH2+]C[C@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)CC1 ZINC000012764074 568947313 /nfs/dbraw/zinc/94/73/13/568947313.db2.gz MGGUPDHEAIIGAP-OAQYLSRUSA-N 1 0 409.477 1.666 50 0 HDAARO O=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000015734722 568984022 /nfs/dbraw/zinc/98/40/22/568984022.db2.gz JFLGZIRRDUQETN-UHFFFAOYSA-N 1 0 417.535 1.902 50 0 HDAARO O=C1CCCC(=O)N1CCS(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000038583530 569002139 /nfs/dbraw/zinc/00/21/39/569002139.db2.gz PAIJHXQDMIINLB-UHFFFAOYSA-N 1 0 407.536 1.357 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)nc2sc(N3CCCCCC3)nn21 ZINC000015861445 569015569 /nfs/dbraw/zinc/01/55/69/569015569.db2.gz GDZKPHYIBLZKLN-CQSZACIVSA-N 1 0 404.540 1.746 50 0 HDAARO C[C@@H](CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccs1)c1ccccc1 ZINC000015864257 569016389 /nfs/dbraw/zinc/01/63/89/569016389.db2.gz YXXSDSJKXPVSNQ-INIZCTEOSA-N 1 0 407.561 1.974 50 0 HDAARO O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000015864240 569016398 /nfs/dbraw/zinc/01/63/98/569016398.db2.gz OJYDGQCJBNDEBP-UHFFFAOYSA-N 1 0 409.458 1.588 50 0 HDAARO Cc1cc(C(=O)NC[C@H](C(C)C)N2CCOCC2)cc(S(=O)(=O)N(C)C)c1C ZINC000012947805 569029240 /nfs/dbraw/zinc/02/92/40/569029240.db2.gz QWBBVCJJFWIPFJ-GOSISDBHSA-N 1 0 411.568 1.640 50 0 HDAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@]21c2cccc(Cl)c2NC1=O ZINC000035375410 569033994 /nfs/dbraw/zinc/03/39/94/569033994.db2.gz JYXHNNPQVSNEBQ-ZNBYNWONSA-N 1 0 418.881 1.124 50 0 HDAARO Cc1c(C(N)=O)sc(NC(=O)CN2CC[N@@H+]3CCC[C@H]3C2)c1C(=O)OC(C)C ZINC000239439134 569054417 /nfs/dbraw/zinc/05/44/17/569054417.db2.gz ZMGDKWZHOSZCMJ-ZDUSSCGKSA-N 1 0 408.524 1.439 50 0 HDAARO Cn1c2c(C(=O)NC[C@@H]3CCCO3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064836026 569104474 /nfs/dbraw/zinc/10/44/74/569104474.db2.gz FESAHQAWFVOROL-KRWDZBQOSA-N 1 0 421.501 1.500 50 0 HDAARO Cc1onc2c1c(C)nn(CC(=O)NCCC[NH+]1CCN(c3ccccc3)CC1)c2=O ZINC000064842293 569106922 /nfs/dbraw/zinc/10/69/22/569106922.db2.gz SKFDLHASGONZGY-UHFFFAOYSA-N 1 0 424.505 1.330 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@]2(CC)CCC(=O)NC2=O)cc1 ZINC000036352089 569147102 /nfs/dbraw/zinc/14/71/02/569147102.db2.gz CGHVAHMREGLLNB-JTSKRJEESA-N 1 0 414.506 1.310 50 0 HDAARO CCNC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025113 569156256 /nfs/dbraw/zinc/15/62/56/569156256.db2.gz HZOUQNZVEKZFKI-UHFFFAOYSA-N 1 0 407.471 1.181 50 0 HDAARO CCC(=O)N1CCc2cc(N3C[C@@H](C(=O)N4CC[NH+](C(C)C)CC4)CC3=O)ccc21 ZINC000065195439 569194235 /nfs/dbraw/zinc/19/42/35/569194235.db2.gz KEBTUJKREIRTLU-SFHVURJKSA-N 1 0 412.534 1.891 50 0 HDAARO CCCC[NH+]1CCN(C(=O)c2cn(-c3cc(N4CCSCC4)ncn3)cn2)CC1 ZINC000065240017 569203585 /nfs/dbraw/zinc/20/35/85/569203585.db2.gz AXEDMIZRSFQPQE-UHFFFAOYSA-N 1 0 415.567 1.773 50 0 HDAARO Cc1nc(C(=O)NCCC[NH+]2CCCC2)c(C)n1C1CCN(S(C)(=O)=O)CC1 ZINC000065257419 569208650 /nfs/dbraw/zinc/20/86/50/569208650.db2.gz FDQAOZYAZOBLRT-UHFFFAOYSA-N 1 0 411.572 1.312 50 0 HDAARO CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)N2CC[NH+](C(C)C)CC2)CC3)CC1 ZINC000065273760 569214782 /nfs/dbraw/zinc/21/47/82/569214782.db2.gz KIKQBJPYVULTOF-QGZVFWFLSA-N 1 0 419.595 1.469 50 0 HDAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCNC(=O)c2cccc3cccnc32)CC1 ZINC000239846230 569237160 /nfs/dbraw/zinc/23/71/60/569237160.db2.gz KZRQWQLSISTDAW-LJQANCHMSA-N 1 0 414.550 1.758 50 0 HDAARO CC[NH+](CC)CCN(C(=O)c1ccc(N2CCOC2=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000089968979 569270293 /nfs/dbraw/zinc/27/02/93/569270293.db2.gz NQYFGMGTMCCYTI-SFHVURJKSA-N 1 0 423.535 1.614 50 0 HDAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3c(F)cccc3F)CC2)[nH+]1 ZINC000017012210 569271449 /nfs/dbraw/zinc/27/14/49/569271449.db2.gz NTPYUALVNMGZHD-UHFFFAOYSA-N 1 0 416.476 1.777 50 0 HDAARO COc1ccc(C(=O)N2CCN(c3nc(N4CCN(C)CC4)cc(C)[nH+]3)CC2)cc1 ZINC000017012358 569271484 /nfs/dbraw/zinc/27/14/84/569271484.db2.gz YQHOMDNHPJSGOK-UHFFFAOYSA-N 1 0 410.522 1.508 50 0 HDAARO CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](C[NH+]3CCCCC3)[C@H]1[C@@H]2O ZINC000012877501 569404403 /nfs/dbraw/zinc/40/44/03/569404403.db2.gz VHWHLUAIVKKCCK-YZGXDHCWSA-N 1 0 409.523 1.350 50 0 biogenic HDAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)C1 ZINC000079023727 569424614 /nfs/dbraw/zinc/42/46/14/569424614.db2.gz UDKGLGXFHVIYSX-IYBDPMFKSA-N 1 0 403.527 1.596 50 0 HDAARO CC(=O)N1CCN(c2ccccc2C[NH2+]CCS(=O)(=O)c2ccccc2)CC1 ZINC000079073634 569426774 /nfs/dbraw/zinc/42/67/74/569426774.db2.gz SYBURVWYSAFCQZ-UHFFFAOYSA-N 1 0 401.532 1.919 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1 ZINC000067336570 571080048 /nfs/dbraw/zinc/08/00/48/571080048.db2.gz QZKIHEWHJLOSET-UHFFFAOYSA-N 1 0 423.521 1.621 50 0 HDAARO Cn1c(=O)c2ccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)nc2n(C)c1=O ZINC000040069586 571149958 /nfs/dbraw/zinc/14/99/58/571149958.db2.gz KOVKMIQUVJVNMW-UHFFFAOYSA-N 1 0 413.522 1.551 50 0 HDAARO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)CC2)cc1 ZINC000040086984 571157615 /nfs/dbraw/zinc/15/76/15/571157615.db2.gz UHQXXDJQEBUSNX-IBGZPJMESA-N 1 0 409.552 1.544 50 0 HDAARO CC1=NN(CC[NH+]2CCCCC2)c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2C1 ZINC000009060068 571217288 /nfs/dbraw/zinc/21/72/88/571217288.db2.gz BAFABPURTADLMN-UHFFFAOYSA-N 1 0 401.515 1.235 50 0 HDAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 ZINC000009130807 571227770 /nfs/dbraw/zinc/22/77/70/571227770.db2.gz FKKXAPUTVGVQEI-UHFFFAOYSA-N 1 0 422.536 1.546 50 0 HDAARO CN(C)S(=O)(=O)c1cc(NC(=O)CSc2nc(N)cc(N)[nH+]2)ccc1Cl ZINC000009508177 571263787 /nfs/dbraw/zinc/26/37/87/571263787.db2.gz ZLXPBUSDSWLODQ-UHFFFAOYSA-N 1 0 416.916 1.276 50 0 HDAARO CC1=NN(CC[N@@H+]2CCc3ccccc3C2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000010108927 571295181 /nfs/dbraw/zinc/29/51/81/571295181.db2.gz UJVATYHDVCPFJD-OAHLLOKOSA-N 1 0 421.505 1.249 50 0 HDAARO Cn1nc(C2CC[NH+](CC(=O)N3CCN(c4ccccc4)CC3)CC2)n(C2CC2)c1=O ZINC000077154446 571311763 /nfs/dbraw/zinc/31/17/63/571311763.db2.gz KRRKVZLNSIKGDD-UHFFFAOYSA-N 1 0 424.549 1.445 50 0 HDAARO COC(=O)c1cn([C@@H]2C[NH2+][C@H](C(=O)NC(c3ccccc3)c3ccccc3)C2)nn1 ZINC000824220736 1076295484 /nfs/dbraw/zinc/29/54/84/1076295484.db2.gz OTIFATXDSZCXFK-ROUUACIJSA-N 1 0 405.458 1.874 50 0 HDAARO COc1ccc(CC(=O)N2CCN(c3ccc(N4CC[NH+](C)CC4)nn3)CC2)cc1 ZINC000010213358 132244712 /nfs/dbraw/zinc/24/47/12/132244712.db2.gz XUECOKQBCNQTFA-UHFFFAOYSA-N 1 0 410.522 1.128 50 0 HDAARO CC(=O)Nc1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000012069483 132353385 /nfs/dbraw/zinc/35/33/85/132353385.db2.gz PHNCXWCMZGMCGZ-UHFFFAOYSA-N 1 0 423.517 1.912 50 0 HDAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCc1c(C)nc2nc(N)nn2c1C ZINC000012558042 132363791 /nfs/dbraw/zinc/36/37/91/132363791.db2.gz LFCALDPHRGXAEG-UHFFFAOYSA-N 1 0 422.537 1.955 50 0 HDAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@]21c2cccc(Cl)c2NC1=O ZINC000020549011 518705665 /nfs/dbraw/zinc/70/56/65/518705665.db2.gz VMUILMMGAYMIOF-PHDHYAMOSA-N 1 0 418.881 1.124 50 0 HDAARO CCOC(=O)c1n[nH]cc1CN1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000043154247 521595217 /nfs/dbraw/zinc/59/52/17/521595217.db2.gz GKWDTYHCMUOXQB-LJQANCHMSA-N 1 0 407.559 1.328 50 0 HDAARO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)CC1 ZINC000032594179 521690995 /nfs/dbraw/zinc/69/09/95/521690995.db2.gz RGAUIZHBNBNMLP-HNNXBMFYSA-N 1 0 400.479 1.869 50 0 HDAARO C[NH+](C)[C@H](CNC(=O)NCCc1ccc(S(N)(=O)=O)s1)c1cccs1 ZINC000043145402 522074794 /nfs/dbraw/zinc/07/47/94/522074794.db2.gz UPAUYDZAAIJQDA-GFCCVEGCSA-N 1 0 402.567 1.602 50 0 HDAARO COCCCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000045974619 523236162 /nfs/dbraw/zinc/23/61/62/523236162.db2.gz HHPDFVLYVHUKIS-UHFFFAOYSA-N 1 0 411.568 1.344 50 0 HDAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1nnc2ccccc2c1=O ZINC000263586874 523732011 /nfs/dbraw/zinc/73/20/11/523732011.db2.gz ZFFIASVJEVLQAZ-FXAWDEMLSA-N 1 0 413.522 1.531 50 0 biogenic HDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccsc2)CC1 ZINC000022766325 523920093 /nfs/dbraw/zinc/92/00/93/523920093.db2.gz FTQIPSSOKYRCOE-LJQANCHMSA-N 1 0 400.548 1.512 50 0 HDAARO Cc1ccc(C)c(S(=O)(=O)N(CCN2CCCCC2)CC(=O)N2CC[NH2+]CC2)c1 ZINC000045974772 524185558 /nfs/dbraw/zinc/18/55/58/524185558.db2.gz HEPFENZDUXFCQU-UHFFFAOYSA-N 1 0 422.595 1.212 50 0 HDAARO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H]2CCCO2)cc1C ZINC000045944390 524313526 /nfs/dbraw/zinc/31/35/26/524313526.db2.gz ZZGUPOBEBFNFAF-LJQANCHMSA-N 1 0 423.579 1.603 50 0 HDAARO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H](C)Sc3nncn3C)CC2)c1 ZINC000045732993 524555154 /nfs/dbraw/zinc/55/51/54/524555154.db2.gz MTLWJGYQJDNIMY-KRWDZBQOSA-N 1 0 402.568 1.933 50 0 HDAARO Cc1ccc(S(=O)(=O)N(CCCOC(C)C)CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000045944845 525511517 /nfs/dbraw/zinc/51/15/17/525511517.db2.gz CXOPAPIPEVBROY-UHFFFAOYSA-N 1 0 411.568 1.623 50 0 HDAARO Cc1cc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc(S(=O)(=O)N(C)C)c1C ZINC000032795960 526266488 /nfs/dbraw/zinc/26/64/88/526266488.db2.gz INNGKZZQSRBJQC-HOTGVXAUSA-N 1 0 411.568 1.783 50 0 HDAARO CC[NH+](CC)CCN1c2ccc(C)cc2[C@@]2(SC(NC(C)=O)=NN2C(C)=O)C1=O ZINC000002434102 557347045 /nfs/dbraw/zinc/34/70/45/557347045.db2.gz AWIQZFLTRWEGHB-HXUWFJFHSA-N 1 0 417.535 1.839 50 0 HDAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)CC1 ZINC000019720838 558259023 /nfs/dbraw/zinc/25/90/23/558259023.db2.gz LXUOHUBPNKWQKC-QGZVFWFLSA-N 1 0 423.583 1.718 50 0 HDAARO CN(CCC[NH+]1CCCCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F ZINC000011768628 558274063 /nfs/dbraw/zinc/27/40/63/558274063.db2.gz XKSLXFMUGINORL-LJQANCHMSA-N 1 0 422.520 1.990 50 0 HDAARO CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000011839142 558285942 /nfs/dbraw/zinc/28/59/42/558285942.db2.gz DPCIUAMPEMJACQ-UHFFFAOYSA-N 1 0 421.563 1.657 50 0 HDAARO COc1cccc([C@]2(CC(=O)N(C)CC(C)C)CC(=O)N(CC[NH+](C)C)C2=O)c1 ZINC000012037023 558312133 /nfs/dbraw/zinc/31/21/33/558312133.db2.gz VJQLVCGRNCEDEG-QFIPXVFZSA-N 1 0 403.523 1.758 50 0 HDAARO Cc1c(C(N)=O)sc(NC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1C(=O)OC(C)C ZINC000020295038 558354570 /nfs/dbraw/zinc/35/45/70/558354570.db2.gz ZMGDKWZHOSZCMJ-CYBMUJFWSA-N 1 0 408.524 1.439 50 0 HDAARO COC(=O)C1CC[NH+](Cc2ccc(OC[C@H](O)CN3CCOCC3)c(OC)c2)CC1 ZINC000012386171 558395111 /nfs/dbraw/zinc/39/51/11/558395111.db2.gz MSXXFLNVSAXKAF-LJQANCHMSA-N 1 0 422.522 1.152 50 0 HDAARO O[C@@H]1CCC[N@@H+](C2CCN(c3nc4nonc4nc3N3CCCCCC3)CC2)C1 ZINC000020782840 558413254 /nfs/dbraw/zinc/41/32/54/558413254.db2.gz UDCKVLPAYGIQGM-MRXNPFEDSA-N 1 0 401.515 1.819 50 0 HDAARO CCOC(=O)CNC(=O)N1CCC[C@H]([N@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000012702556 558448176 /nfs/dbraw/zinc/44/81/76/558448176.db2.gz VUYGGJVQZDUWRI-KRWDZBQOSA-N 1 0 407.511 1.915 50 0 HDAARO COc1ccccc1NC(=O)N1CCN(c2cc(N3CCOCC3)nc(C)[nH+]2)CC1 ZINC000021795274 558449511 /nfs/dbraw/zinc/44/95/11/558449511.db2.gz AZYOODUFQBVHHH-UHFFFAOYSA-N 1 0 412.494 1.984 50 0 HDAARO COc1cccc(C[NH2+]CCCn2ccnc2)c1OC[C@@H](O)CN1CCOCC1 ZINC000023338733 558550214 /nfs/dbraw/zinc/55/02/14/558550214.db2.gz HMBOYYOGFHMAEZ-IBGZPJMESA-N 1 0 404.511 1.144 50 0 HDAARO O=C(CN1CCN(c2ccc(O)cc2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023642332 558564486 /nfs/dbraw/zinc/56/44/86/558564486.db2.gz WHNXRTRKZHJSSE-UHFFFAOYSA-N 1 0 416.566 1.666 50 0 HDAARO CN(Cc1ccc(Br)s1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000023653761 558565534 /nfs/dbraw/zinc/56/55/34/558565534.db2.gz UDQLCURLNBKJBK-UHFFFAOYSA-N 1 0 401.330 1.916 50 0 HDAARO Cn1ncc2c1ncnc2N1CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000025307556 558637300 /nfs/dbraw/zinc/63/73/00/558637300.db2.gz PKWNCJFATWVPKY-MRXNPFEDSA-N 1 0 416.913 1.716 50 0 HDAARO [NH3+]CCCC[C@@H]1NC(=O)[C@H]2CN(Cc3nc(-c4ccccc4)cs3)CCN2C1=O ZINC000014538227 558658992 /nfs/dbraw/zinc/65/89/92/558658992.db2.gz USDVTOAKOKZJSN-FUHWJXTLSA-N 1 0 413.547 1.450 50 0 HDAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+]([C@@H](C)COC)CC2 ZINC000014541277 558660096 /nfs/dbraw/zinc/66/00/96/558660096.db2.gz JZQXAHDQGQIJTG-SFHVURJKSA-N 1 0 418.538 1.794 50 0 HDAARO Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@H]([NH2+]Cc1cccc(F)c1)C2 ZINC000014733507 558666047 /nfs/dbraw/zinc/66/60/47/558666047.db2.gz LFGVQLNHYSVYAK-SFHVURJKSA-N 1 0 415.513 1.268 50 0 HDAARO COc1cccc(C[NH2+]CCOc2ccccc2)c1OC[C@@H](O)CN1CCOCC1 ZINC000014952616 558681524 /nfs/dbraw/zinc/68/15/24/558681524.db2.gz CHSJWGKHEWFOMS-FQEVSTJZSA-N 1 0 416.518 1.936 50 0 HDAARO COC(=O)CNC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000014963856 558685010 /nfs/dbraw/zinc/68/50/10/558685010.db2.gz VKRAXWCMVCWBSD-UHFFFAOYSA-N 1 0 400.479 1.798 50 0 HDAARO COc1cc(=O)n2c(c1C(=O)NCCCn1cccn1)CC[N@@H+](CC(C)C)CC2 ZINC000014968840 558686551 /nfs/dbraw/zinc/68/65/51/558686551.db2.gz KYIBBFKMCWKQIZ-UHFFFAOYSA-N 1 0 401.511 1.388 50 0 HDAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1cc3ccccc3o1)CC2)[C@H]1CCCO1 ZINC000014993040 558695012 /nfs/dbraw/zinc/69/50/12/558695012.db2.gz LJSYKVGLNGICRE-LJQANCHMSA-N 1 0 409.490 1.920 50 0 HDAARO Cc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)o1 ZINC000014995071 558695900 /nfs/dbraw/zinc/69/59/00/558695900.db2.gz MAMOBDBWMGLOLT-UHFFFAOYSA-N 1 0 409.490 1.976 50 0 HDAARO O=C(C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1)N1CCNC(=O)C1 ZINC000015075804 558716425 /nfs/dbraw/zinc/71/64/25/558716425.db2.gz FAUUCLXODHAVSH-UHFFFAOYSA-N 1 0 411.506 1.467 50 0 HDAARO Cc1nonc1C(=O)N1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000015078903 558717864 /nfs/dbraw/zinc/71/78/64/558717864.db2.gz WYLCTHSLUUDGBD-UHFFFAOYSA-N 1 0 415.494 1.695 50 0 HDAARO Cc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)c1 ZINC000015671297 558748533 /nfs/dbraw/zinc/74/85/33/558748533.db2.gz FYKCMJUFWZDDQS-UHFFFAOYSA-N 1 0 417.535 1.441 50 0 HDAARO CC(C)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000015972358 558764624 /nfs/dbraw/zinc/76/46/24/558764624.db2.gz REWRZIFJQRXCJF-LCONNIHZSA-N 1 0 401.438 1.381 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@@]21c2ccccc2NC1=O ZINC000016022026 558767622 /nfs/dbraw/zinc/76/76/22/558767622.db2.gz VEGZLQMJTUOQDI-YWNPBTLJSA-N 1 0 405.454 1.296 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016022208 558767813 /nfs/dbraw/zinc/76/78/13/558767813.db2.gz IXFIEDYTXCYCOX-ZOZBEKFXSA-N 1 0 405.882 1.753 50 0 HDAARO C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000016022276 558768066 /nfs/dbraw/zinc/76/80/66/558768066.db2.gz KGIBNLXTGYSZQO-CIIVYKKGSA-N 1 0 406.280 1.988 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@@]21c2cccc(Cl)c2NC1=O ZINC000016024775 558768710 /nfs/dbraw/zinc/76/87/10/558768710.db2.gz MFBMDYLIKLCJBX-AUKZQPGHSA-N 1 0 418.881 1.126 50 0 HDAARO CCCN(CCC)C(=O)c1coc(CN2CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC2)n1 ZINC000034677655 558782811 /nfs/dbraw/zinc/78/28/11/558782811.db2.gz SAQXYUIQGXXSML-IBGZPJMESA-N 1 0 423.602 1.756 50 0 HDAARO Cc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000034847926 558784644 /nfs/dbraw/zinc/78/46/44/558784644.db2.gz CCSHWCKAUYDCJN-UHFFFAOYSA-N 1 0 412.515 1.845 50 0 HDAARO COc1ccc(C(=O)N2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)cc1 ZINC000034912222 558787586 /nfs/dbraw/zinc/78/75/86/558787586.db2.gz GURRTOWNIVWKEJ-UHFFFAOYSA-N 1 0 415.534 1.871 50 0 HDAARO COc1cccc(C[NH+]2CCC(CCO)CC2)c1OC[C@H](O)CN1CCOCC1 ZINC000039379714 558820598 /nfs/dbraw/zinc/82/05/98/558820598.db2.gz SGUPQHRCOCGMJX-HXUWFJFHSA-N 1 0 408.539 1.362 50 0 HDAARO O=C(CN1c2cc(F)ccc2C(=O)N2CCC[C@@H]2C1=O)NCCC[NH+]1CCCCC1 ZINC000065307024 558866820 /nfs/dbraw/zinc/86/68/20/558866820.db2.gz HQMWVNPNQXKFPC-GOSISDBHSA-N 1 0 416.497 1.769 50 0 HDAARO CCCCCn1c(N2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056900453 558886655 /nfs/dbraw/zinc/88/66/55/558886655.db2.gz PUHPJZDSMWUOBY-UHFFFAOYSA-N 1 0 410.522 1.936 50 0 HDAARO CC(=O)c1ccc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)nc1 ZINC000071524171 558904545 /nfs/dbraw/zinc/90/45/45/558904545.db2.gz FDBQHGINAXKQND-LJQANCHMSA-N 1 0 400.523 1.824 50 0 HDAARO Cn1ccc(NC(=O)CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071738572 558908486 /nfs/dbraw/zinc/90/84/86/558908486.db2.gz REBLHTIWMPZENS-QGZVFWFLSA-N 1 0 402.543 1.157 50 0 HDAARO CN1CCN(S(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2Cl)CC1 ZINC000071754822 558909520 /nfs/dbraw/zinc/90/95/20/558909520.db2.gz XFXDHHXYGIQCDE-UHFFFAOYSA-N 1 0 414.959 1.100 50 0 HDAARO CCCCOCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071776379 558911806 /nfs/dbraw/zinc/91/18/06/558911806.db2.gz BMHBVUKEYJDGDR-IBGZPJMESA-N 1 0 408.587 1.280 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000033060428 558954824 /nfs/dbraw/zinc/95/48/24/558954824.db2.gz JKOQWXFUHCDKAG-UHFFFAOYSA-N 1 0 416.551 1.856 50 0 HDAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000065361787 558972283 /nfs/dbraw/zinc/97/22/83/558972283.db2.gz ULXHTEHURYMBSN-HDICACEKSA-N 1 0 423.579 1.805 50 0 HDAARO CC(C)C[N@H+](C)CCCN1CC2(CCN(C(=O)c3ccc(=O)[nH]c3)CC2)OC1=O ZINC000072424896 558978867 /nfs/dbraw/zinc/97/88/67/558978867.db2.gz WQKPIPDRZSFPAD-UHFFFAOYSA-N 1 0 404.511 1.780 50 0 HDAARO COc1cccc(CN2CCC[C@@](O)(C[N@H+](C)Cc3cnccn3)C2=O)c1OC ZINC000067562156 558987274 /nfs/dbraw/zinc/98/72/74/558987274.db2.gz CARSYDQLVBJBSA-OAQYLSRUSA-N 1 0 400.479 1.479 50 0 HDAARO O=C(N[C@@H]1C[NH2+]C[C@H]1O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000067742743 558992247 /nfs/dbraw/zinc/99/22/47/558992247.db2.gz RXKFSBDPJLCISW-WOJBJXKFSA-N 1 0 407.518 1.298 50 0 HDAARO O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2[C@@H]3CC[C@H]2C[NH2+]CC3)[nH]c1=O ZINC000077287845 559000566 /nfs/dbraw/zinc/00/05/66/559000566.db2.gz HVVGGGHTHULQDZ-SJORKVTESA-N 1 0 410.474 1.360 50 0 HDAARO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000077354333 559002149 /nfs/dbraw/zinc/00/21/49/559002149.db2.gz HINKDSOOZNSFIW-SFHVURJKSA-N 1 0 413.478 1.172 50 0 HDAARO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)NC(C)(C)C)CC3)C1 ZINC000077519239 559008161 /nfs/dbraw/zinc/00/81/61/559008161.db2.gz QOUOWROYDGVLCY-QGZVFWFLSA-N 1 0 408.568 1.877 50 0 HDAARO Cc1ccc(N(CC(=O)NCCC[N@H+]2CCCC[C@@H]2C)S(=O)(=O)N(C)C)cc1 ZINC000033269468 559032268 /nfs/dbraw/zinc/03/22/68/559032268.db2.gz LRQNLUYTHKZETB-SFHVURJKSA-N 1 0 410.584 1.989 50 0 HDAARO Cc1ccc(N(CC(=O)NCCC[N@H+]2CCC[C@H](C)C2)S(=O)(=O)N(C)C)cc1 ZINC000033269474 559032426 /nfs/dbraw/zinc/03/24/26/559032426.db2.gz YQFKNEZOKBGUQD-SFHVURJKSA-N 1 0 410.584 1.846 50 0 HDAARO Cc1ccccc1S(=O)(=O)Nc1ccc(N2CC[NH2+]CC2)c(C(=O)N(C)C)c1 ZINC000033275435 559035200 /nfs/dbraw/zinc/03/52/00/559035200.db2.gz BXIBDYXQKYAWOR-UHFFFAOYSA-N 1 0 402.520 1.907 50 0 HDAARO Cn1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000082119925 559039240 /nfs/dbraw/zinc/03/92/40/559039240.db2.gz OGJBGVHONQPWDW-GOSISDBHSA-N 1 0 410.522 1.448 50 0 HDAARO Cn1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cn1 ZINC000082138501 559040446 /nfs/dbraw/zinc/04/04/46/559040446.db2.gz RXQAVSSQPXDOIJ-KRWDZBQOSA-N 1 0 410.522 1.448 50 0 HDAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cnccn3)CC2)C1 ZINC000082155699 559041381 /nfs/dbraw/zinc/04/13/81/559041381.db2.gz REEYTYWEOIBRID-KRWDZBQOSA-N 1 0 408.506 1.505 50 0 HDAARO COCCn1c(=O)[nH]c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2c1=O ZINC000004791362 559065635 /nfs/dbraw/zinc/06/56/35/559065635.db2.gz YSXIAWGSFAYVLV-UHFFFAOYSA-N 1 0 414.506 1.427 50 0 HDAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 ZINC000091616639 559072421 /nfs/dbraw/zinc/07/24/21/559072421.db2.gz PFKYGQLQGOOTFR-FGZHOGPDSA-N 1 0 401.551 1.265 50 0 HDAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCN3CCOCC3)C2)CC1 ZINC000095347272 559079611 /nfs/dbraw/zinc/07/96/11/559079611.db2.gz SPZVWSLNYPQQJF-HXUWFJFHSA-N 1 0 416.566 1.531 50 0 HDAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](C)[NH+]1CCCCC1)CC2 ZINC000095500903 559082310 /nfs/dbraw/zinc/08/23/10/559082310.db2.gz CEDBGHKEAQOSIV-INIZCTEOSA-N 1 0 403.527 1.133 50 0 HDAARO O[C@@H](COc1cccc(C[NH+]2CCC(c3ncon3)CC2)c1)CN1CCOCC1 ZINC000095517006 559084652 /nfs/dbraw/zinc/08/46/52/559084652.db2.gz HOGKCDDZEDEESY-LJQANCHMSA-N 1 0 402.495 1.521 50 0 HDAARO CC[NH+]1CCN(C[C@H](O)COc2cccc(CN(C)Cc3nc(C)no3)c2)CC1 ZINC000095528161 559086339 /nfs/dbraw/zinc/08/63/39/559086339.db2.gz AZWBCLSVCLMKQI-IBGZPJMESA-N 1 0 403.527 1.387 50 0 HDAARO CCNc1cc(C)[nH+]c(N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)n1 ZINC000023993991 559187190 /nfs/dbraw/zinc/18/71/90/559187190.db2.gz OEZXJXUACYMCAG-UHFFFAOYSA-N 1 0 421.523 1.745 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](CCC(N)=O)[NH2+][C@@]3(c4ccc(C)c(C)c4NC3=O)[C@H]2C1=O ZINC000248219586 559269078 /nfs/dbraw/zinc/26/90/78/559269078.db2.gz HJRBTQGLJOGHMF-XOTWJMMUSA-N 1 0 412.490 1.089 50 0 HDAARO O=C(C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O)N1CCOCC1 ZINC000426555464 559274797 /nfs/dbraw/zinc/27/47/97/559274797.db2.gz INMBDLPIHWSTGH-OAQYLSRUSA-N 1 0 407.461 1.638 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000005347901 560570877 /nfs/dbraw/zinc/57/08/77/560570877.db2.gz PMQGRELRZUNVEY-PZTGFMGMSA-N 1 0 403.454 1.629 50 0 HDAARO Cn1c(=O)c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)nc2n(C)c1=O ZINC000024556051 560845641 /nfs/dbraw/zinc/84/56/41/560845641.db2.gz KSGPPPSYSNMGKV-GOSISDBHSA-N 1 0 407.474 1.199 50 0 HDAARO COc1ccc(OC[C@H](O)C[N@H+](CCO)C[C@@H](O)Cn2ccc3ccccc32)cc1 ZINC000012080507 560889041 /nfs/dbraw/zinc/88/90/41/560889041.db2.gz RDLCNKMHHWWUDK-WOJBJXKFSA-N 1 0 414.502 1.745 50 0 HDAARO C[NH+](C)[C@@H](CNC(=O)NCCCn1nc2n(c1=O)CCCC2)c1cccc(F)c1 ZINC000049797965 568453537 /nfs/dbraw/zinc/45/35/37/568453537.db2.gz MIJJOSIREYCLPT-KRWDZBQOSA-N 1 0 404.490 1.512 50 0 HDAARO Cc1cccc(N2CC[NH+](CCCNC(=O)c3nc(-c4cncnc4)no3)CC2)c1 ZINC000064459805 568457470 /nfs/dbraw/zinc/45/74/70/568457470.db2.gz YEWQDQOEZIUVGR-UHFFFAOYSA-N 1 0 407.478 1.777 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)CC1 ZINC000020116048 568589437 /nfs/dbraw/zinc/58/94/37/568589437.db2.gz AOOUPEMRWBFPBT-UHFFFAOYSA-N 1 0 416.522 1.313 50 0 HDAARO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCCN2CC[NH+](C)CC2)o1 ZINC000020240613 568595888 /nfs/dbraw/zinc/59/58/88/568595888.db2.gz HTYJOPSXYANPGO-UHFFFAOYSA-N 1 0 419.547 1.929 50 0 HDAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCN4CCOCC4)[C@H]3C[C@]21O ZINC000020410992 568605214 /nfs/dbraw/zinc/60/52/14/568605214.db2.gz KIHWOIFCLKGLKQ-ZRJJWSOFSA-N 1 0 410.555 1.186 50 0 biogenic HDAARO CCC[NH+]1CCN(CCCNC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)CC1 ZINC000020415726 568605965 /nfs/dbraw/zinc/60/59/65/568605965.db2.gz CRMHUYUCEMLIEO-UHFFFAOYSA-N 1 0 424.549 1.422 50 0 HDAARO O[C@H](COc1cccc(C[NH2+]CCc2cn3cccnc3n2)c1)CN1CCOCC1 ZINC000020454648 568608863 /nfs/dbraw/zinc/60/88/63/568608863.db2.gz JOLBTSFZCZURTF-FQEVSTJZSA-N 1 0 411.506 1.134 50 0 HDAARO COc1cccc(-c2n[nH]cc2C[NH2+]CCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000040153286 568625700 /nfs/dbraw/zinc/62/57/00/568625700.db2.gz APYAQLJVANVRBA-HUUCEWRRSA-N 1 0 408.524 1.614 50 0 HDAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1 ZINC000020614248 568637778 /nfs/dbraw/zinc/63/77/78/568637778.db2.gz OETGIDMRWPAHAV-IBGZPJMESA-N 1 0 424.501 1.767 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2ccc(CS(=O)(=O)c3ccccc3C)o2)CC1 ZINC000020733586 568640838 /nfs/dbraw/zinc/64/08/38/568640838.db2.gz MJBQANIIUCRUEO-UHFFFAOYSA-N 1 0 419.547 1.929 50 0 HDAARO CCCCNC(=O)C1CCN(CC(O)C[NH+]2CCC(C(=O)NCCCC)CC2)CC1 ZINC000095996055 568678765 /nfs/dbraw/zinc/67/87/65/568678765.db2.gz HHZDTTRYCPKTJC-UHFFFAOYSA-N 1 0 424.630 1.604 50 0 HDAARO CCn1nnc2c1ncnc2N1CC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000096096796 568689333 /nfs/dbraw/zinc/68/93/33/568689333.db2.gz YLEIMPYNDBFAAW-UHFFFAOYSA-N 1 0 420.521 1.458 50 0 HDAARO COc1ccc(NC(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)c(C)c1 ZINC000096121345 568699598 /nfs/dbraw/zinc/69/95/98/568699598.db2.gz LTHUHPTUYSKGRI-UHFFFAOYSA-N 1 0 412.494 1.984 50 0 HDAARO COc1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022579243 568770532 /nfs/dbraw/zinc/77/05/32/568770532.db2.gz UOPVVYVJHRUOBY-OAQYLSRUSA-N 1 0 410.518 1.416 50 0 HDAARO Cc1noc(C)c1CC(=O)NC[C@@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1 ZINC000299758874 568873151 /nfs/dbraw/zinc/87/31/51/568873151.db2.gz LGYUQKUAYWVGBY-GOSISDBHSA-N 1 0 404.511 1.194 50 0 HDAARO COc1cc(C[N@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)ccc1O ZINC000299770592 568874138 /nfs/dbraw/zinc/87/41/38/568874138.db2.gz VPDZGBMTWLFVCC-SFHVURJKSA-N 1 0 423.539 1.297 50 0 HDAARO COc1cc(C[N@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)ccc1O ZINC000299770574 568874192 /nfs/dbraw/zinc/87/41/92/568874192.db2.gz VPDZGBMTWLFVCC-GOSISDBHSA-N 1 0 423.539 1.297 50 0 HDAARO O=C1CCCN1CC[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299778005 568874822 /nfs/dbraw/zinc/87/48/22/568874822.db2.gz LYMRLSHMLJMTRC-FQEVSTJZSA-N 1 0 419.497 1.519 50 0 HDAARO O=C(Cc1ccccn1)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299778903 568874953 /nfs/dbraw/zinc/87/49/53/568874953.db2.gz IPDKKLSWZDDOEK-HXUWFJFHSA-N 1 0 400.523 1.090 50 0 HDAARO O=C(NC[C@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1)c1ccc(F)cc1F ZINC000299790694 568875855 /nfs/dbraw/zinc/87/58/55/568875855.db2.gz CJLWMKKQKQDFII-KRWDZBQOSA-N 1 0 407.461 1.939 50 0 HDAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCn2ccnc2)CC1 ZINC000299792803 568876045 /nfs/dbraw/zinc/87/60/45/568876045.db2.gz GMEHJZOVVRKMQP-FQEVSTJZSA-N 1 0 402.470 1.793 50 0 HDAARO NC(=O)C1CC[NH+](CCCNS(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000058017759 568876582 /nfs/dbraw/zinc/87/65/82/568876582.db2.gz PGJISAMZWSQOKE-UHFFFAOYSA-N 1 0 409.430 1.451 50 0 HDAARO Cc1nnc(SCC(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)s1 ZINC000670439360 568885447 /nfs/dbraw/zinc/88/54/47/568885447.db2.gz AYKFZTGCWOJLKQ-VDUSKEEQSA-N 1 0 415.588 1.622 50 0 HDAARO Cc1cccc2nc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)C[N@H+](C4)CC5)cn21 ZINC000670450901 568926943 /nfs/dbraw/zinc/92/69/43/568926943.db2.gz CKDGKHHJTRHQAJ-NBTXJNEHSA-N 1 0 401.514 1.940 50 0 HDAARO CC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000004083609 568939388 /nfs/dbraw/zinc/93/93/88/568939388.db2.gz JBFBADKGGFXWLW-ZWOKBUDYSA-N 1 0 416.566 1.981 50 0 biogenic HDAARO COc1cc(C[NH2+]CCn2cnnc2C)cc(I)c1OC ZINC000084297237 568945568 /nfs/dbraw/zinc/94/55/68/568945568.db2.gz PKJCEOACGWKLIR-UHFFFAOYSA-N 1 0 402.236 1.998 50 0 HDAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000084535894 568950548 /nfs/dbraw/zinc/95/05/48/568950548.db2.gz VYFFQAABBMFCSM-INIZCTEOSA-N 1 0 405.458 1.424 50 0 HDAARO CCc1c(C)nn(CC(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)c1C ZINC000670464094 568960691 /nfs/dbraw/zinc/96/06/91/568960691.db2.gz PHRAFLKPYXCMDW-JWLIYLPMSA-N 1 0 407.562 1.746 50 0 HDAARO CCC(C)(C)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012815836 568989552 /nfs/dbraw/zinc/98/95/52/568989552.db2.gz IQZWSIIJOXNDGI-UHFFFAOYSA-N 1 0 411.524 1.069 50 0 HDAARO COc1ccc(C(=O)NCCC[NH+](C)C)cc1S(=O)(=O)NCc1ccccn1 ZINC000006080350 568994118 /nfs/dbraw/zinc/99/41/18/568994118.db2.gz WLLOSWQAOMDLDT-UHFFFAOYSA-N 1 0 406.508 1.250 50 0 HDAARO NC(=O)CC[C@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000015957504 569024664 /nfs/dbraw/zinc/02/46/64/569024664.db2.gz ZDQVXJATZQRIFX-NZQNYPKQSA-N 1 0 424.501 1.395 50 0 biogenic HDAARO CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426471029 569073042 /nfs/dbraw/zinc/07/30/42/569073042.db2.gz ZOVCVKXWHGIDLV-ROUUACIJSA-N 1 0 404.536 1.970 50 0 HDAARO Cn1c2c(C(=O)NC[C@H]3CCCO3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064836028 569104614 /nfs/dbraw/zinc/10/46/14/569104614.db2.gz FESAHQAWFVOROL-QGZVFWFLSA-N 1 0 421.501 1.500 50 0 HDAARO Cc1ccccc1CN1CCN(CC(=O)NCCC[NH+]2CCCCC2)C(=O)C1=O ZINC000064888758 569115483 /nfs/dbraw/zinc/11/54/83/569115483.db2.gz URYMAXPLFXNQNE-UHFFFAOYSA-N 1 0 400.523 1.158 50 0 HDAARO C[NH+](C)CCNC(=O)CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000064889108 569115912 /nfs/dbraw/zinc/11/59/12/569115912.db2.gz QGHIRMVWWBXORT-UHFFFAOYSA-N 1 0 407.540 1.279 50 0 HDAARO Cc1cccc(CN2CCCn3nc(C(=O)NCCN4CC[NH+](C)CC4)cc3C2=O)c1 ZINC000064959767 569135417 /nfs/dbraw/zinc/13/54/17/569135417.db2.gz OELOMNKTPHGTJJ-UHFFFAOYSA-N 1 0 424.549 1.215 50 0 HDAARO CCC(CC)[NH+]1CCN(C(=O)c2nc3nn(C)cc3c(N3CCSCC3)n2)CC1 ZINC000065284435 569216622 /nfs/dbraw/zinc/21/66/22/569216622.db2.gz PKVLFBWVPKEXPM-UHFFFAOYSA-N 1 0 417.583 1.863 50 0 HDAARO CCC[NH+]1CCN(C(=O)CN2c3ccc(F)cc3C(=O)N3CCC[C@@H]3C2=O)CC1 ZINC000065306855 569220797 /nfs/dbraw/zinc/22/07/97/569220797.db2.gz JFNBEVHHPNXYRB-GOSISDBHSA-N 1 0 402.470 1.331 50 0 HDAARO C[NH+](C)CCNC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)no1 ZINC000065319231 569221889 /nfs/dbraw/zinc/22/18/89/569221889.db2.gz QQJRDZHZCMJQLR-UHFFFAOYSA-N 1 0 421.523 1.593 50 0 HDAARO CC(=O)N1CCN(Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)cc2)CC1 ZINC000170592317 569241098 /nfs/dbraw/zinc/24/10/98/569241098.db2.gz IUKIHJDWCQCRQR-JOCHJYFZSA-N 1 0 414.550 1.933 50 0 HDAARO CC[NH+](CC)CCN(C(=O)c1ccc(N2CCOC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000089968978 569270295 /nfs/dbraw/zinc/27/02/95/569270295.db2.gz NQYFGMGTMCCYTI-GOSISDBHSA-N 1 0 423.535 1.614 50 0 HDAARO COc1cc2ncn(CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)c2cc1OC ZINC000252522938 569292519 /nfs/dbraw/zinc/29/25/19/569292519.db2.gz BMCMFXYLUJCSQB-QAPCUYQASA-N 1 0 414.506 1.794 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000252571275 569294398 /nfs/dbraw/zinc/29/43/98/569294398.db2.gz XQZGFVDQBHBXOC-JKSUJKDBSA-N 1 0 416.478 1.421 50 0 HDAARO COCCOCC(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(CC(C)C)CC1)CCO2 ZINC000581819755 569320799 /nfs/dbraw/zinc/32/07/99/569320799.db2.gz IIBXFHXECMMHQK-HXUWFJFHSA-N 1 0 411.587 1.463 50 0 HDAARO CCC[NH+]1CCN(CCCNC(=O)CN2c3ccccc3O[C@H](CC)C2=O)CC1 ZINC000019359788 569420410 /nfs/dbraw/zinc/42/04/10/569420410.db2.gz SMUSYQLLDKQQOY-LJQANCHMSA-N 1 0 402.539 1.725 50 0 HDAARO COC1CC[NH+](CCNC(=O)[C@H](C)NC(=O)c2ccc(Br)s2)CC1 ZINC000079026234 569424893 /nfs/dbraw/zinc/42/48/93/569424893.db2.gz ZIIFNSFHQDVTIC-NSHDSACASA-N 1 0 418.357 1.856 50 0 HDAARO CC[NH+](CC)C[C@@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccccc1 ZINC000040069651 571150183 /nfs/dbraw/zinc/15/01/83/571150183.db2.gz VLAUGNODLRCSPT-GOSISDBHSA-N 1 0 409.490 1.445 50 0 HDAARO CCC[NH+]1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(C(=O)OC)cc1)C2=O ZINC000009660747 571277360 /nfs/dbraw/zinc/27/73/60/571277360.db2.gz UVYCDMKGTMITBS-UHFFFAOYSA-N 1 0 402.451 1.208 50 0 HDAARO Cc1cc2nc3sc(C(=O)NCCCN4CC[NH+](C)CC4)cc(=O)n3c2cc1C ZINC000033009072 571315646 /nfs/dbraw/zinc/31/56/46/571315646.db2.gz RZUGNQKKXBJOON-UHFFFAOYSA-N 1 0 413.547 1.893 50 0 HDAARO Cc1cc(C(=O)NCC2CCN(C(=O)CN3CCC[N@@H+](C)CC3)CC2)cc(C)n1 ZINC000823778389 1076212631 /nfs/dbraw/zinc/21/26/31/1076212631.db2.gz SKWLQDGLVILCRU-UHFFFAOYSA-N 1 0 401.555 1.304 50 0 HDAARO C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000008122321 132327483 /nfs/dbraw/zinc/32/74/83/132327483.db2.gz VBHABMPIMUTARU-QHCPKHFHSA-N 1 0 421.501 1.674 50 0 HDAARO CCOC(=O)C1CC[NH+](C2CCN(c3nc4nonc4nc3N(C)C)CC2)CC1 ZINC000011839244 132351355 /nfs/dbraw/zinc/35/13/55/132351355.db2.gz ZIOATRICLLAKFU-UHFFFAOYSA-N 1 0 403.487 1.323 50 0 HDAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000012069423 132353362 /nfs/dbraw/zinc/35/33/62/132353362.db2.gz AXHQTMIFMAMYCX-UHFFFAOYSA-N 1 0 424.501 1.725 50 0 HDAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@]21c2cc(Cl)ccc2NC1=O ZINC000020567017 518706145 /nfs/dbraw/zinc/70/61/45/518706145.db2.gz MUSLHQQFYBCSJC-ZCQATVAHSA-N 1 0 418.881 1.124 50 0 HDAARO CCCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000045944979 520487905 /nfs/dbraw/zinc/48/79/05/520487905.db2.gz FSAOKMAYEJKRHA-UHFFFAOYSA-N 1 0 413.540 1.317 50 0 HDAARO COc1cc(C)c(C[N@H+](C)CCn2cc(C(=O)N3CCN(C)CC3)nn2)cc1C ZINC000020542812 522190743 /nfs/dbraw/zinc/19/07/43/522190743.db2.gz DHMOJCVJURYVHL-UHFFFAOYSA-N 1 0 400.527 1.423 50 0 HDAARO C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccc2c(c1)OCO2 ZINC000032870853 522677145 /nfs/dbraw/zinc/67/71/45/522677145.db2.gz RXYPIUFRCZFXEJ-UHFFFAOYSA-N 1 0 419.503 1.244 50 0 HDAARO COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022766375 524584009 /nfs/dbraw/zinc/58/40/09/524584009.db2.gz AVJQEUWBYUTGNW-QGZVFWFLSA-N 1 0 402.520 1.800 50 0 HDAARO Cc1cccc(S(=O)(=O)N(CCCOC(C)C)CCC(=O)N2CC[NH2+]CC2)c1 ZINC000045944891 524793628 /nfs/dbraw/zinc/79/36/28/524793628.db2.gz BCJPUZQTSCKXRF-UHFFFAOYSA-N 1 0 411.568 1.623 50 0 HDAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)CC1 ZINC000012586186 526849773 /nfs/dbraw/zinc/84/97/73/526849773.db2.gz LEHVBJSOPUVJQC-QGZVFWFLSA-N 1 0 404.555 1.500 50 0 HDAARO O=C(Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O)NCc1ccccc1 ZINC000044890424 527415511 /nfs/dbraw/zinc/41/55/11/527415511.db2.gz CIEJBPOIXZPTLH-UHFFFAOYSA-N 1 0 417.513 1.882 50 0 HDAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1Cl ZINC000001308239 557254939 /nfs/dbraw/zinc/25/49/39/557254939.db2.gz XXTCHQYCFPCHIN-KRWDZBQOSA-N 1 0 421.906 1.760 50 0 HDAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2F)N2CC[NH+](C)CC2)cc1 ZINC000022778522 557821149 /nfs/dbraw/zinc/82/11/49/557821149.db2.gz LNPJUBAAKOOJCN-HXUWFJFHSA-N 1 0 414.481 1.878 50 0 HDAARO COc1ccc([C@@H](CNC(=O)C(=O)NC2CCCCCC2)N2CC[NH+](C)CC2)cc1 ZINC000022795325 557822638 /nfs/dbraw/zinc/82/26/38/557822638.db2.gz YOIJCSAJTDFNFL-OAQYLSRUSA-N 1 0 416.566 1.939 50 0 HDAARO COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022796141 557823115 /nfs/dbraw/zinc/82/31/15/557823115.db2.gz IQTJYCANRZNRJI-IBGZPJMESA-N 1 0 414.481 1.878 50 0 HDAARO COC(=O)C1CCN(Cc2c(C(=O)N3CCC[N@H+](C)CC3)nc3sccn23)CC1 ZINC000011820232 558283642 /nfs/dbraw/zinc/28/36/42/558283642.db2.gz POJZSOUZSYXRAA-UHFFFAOYSA-N 1 0 419.551 1.559 50 0 HDAARO COc1cccc(C[N@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)c1 ZINC000012127456 558331498 /nfs/dbraw/zinc/33/14/98/558331498.db2.gz BFCOYGSAWACJMJ-GOSISDBHSA-N 1 0 407.540 1.591 50 0 HDAARO COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(CN(C)Cc2nc(C)c[nH]2)c1 ZINC000020149064 558340158 /nfs/dbraw/zinc/34/01/58/558340158.db2.gz YQALIZOLSPXAGU-IBGZPJMESA-N 1 0 418.538 1.555 50 0 HDAARO COc1cccc(C[N@H+](C)CCn2ccnc2C)c1OC[C@@H](O)CN1CCOCC1 ZINC000020205082 558346451 /nfs/dbraw/zinc/34/64/51/558346451.db2.gz HXGUCSMZFIEMRG-FQEVSTJZSA-N 1 0 418.538 1.404 50 0 HDAARO COc1ccc(C[N@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1 ZINC000020993720 558426627 /nfs/dbraw/zinc/42/66/27/558426627.db2.gz NIHOUZDMLDZDNH-UHFFFAOYSA-N 1 0 420.517 1.989 50 0 HDAARO C[NH+]1CCC(N2CCN(Cc3cnn(-c4ccccc4F)c3)C[C@@H]2CCO)CC1 ZINC000020998556 558427378 /nfs/dbraw/zinc/42/73/78/558427378.db2.gz FHWOMFKNLHCRNF-FQEVSTJZSA-N 1 0 401.530 1.974 50 0 HDAARO COc1cc(CN(C)Cc2cnn(C)c2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012582767 558433137 /nfs/dbraw/zinc/43/31/37/558433137.db2.gz POISODKGWGPARE-IBGZPJMESA-N 1 0 420.579 1.849 50 0 HDAARO COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(CN(C)Cc2nonc2C)c1 ZINC000012591077 558435737 /nfs/dbraw/zinc/43/57/37/558435737.db2.gz FJEKKZKDICZFOB-SFHVURJKSA-N 1 0 420.510 1.215 50 0 HDAARO CCOC(=O)CNC(=O)N1CCC[C@@H]([N@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000012702548 558448248 /nfs/dbraw/zinc/44/82/48/558448248.db2.gz VUYGGJVQZDUWRI-QGZVFWFLSA-N 1 0 407.511 1.915 50 0 HDAARO CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](CC)CC2)=[NH+][C@H]1c1ccc(OC)cc1OC ZINC000013550781 558538979 /nfs/dbraw/zinc/53/89/79/558538979.db2.gz IOYDTSWBMBUVDA-MSOLQXFVSA-N 1 0 418.494 1.048 50 0 HDAARO CC[NH+](CC)[C@@H](CNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)Cc1ccccc1 ZINC000023197315 558542081 /nfs/dbraw/zinc/54/20/81/558542081.db2.gz UXMMDJGKYAJUKR-XMSQKQJNSA-N 1 0 400.523 1.776 50 0 HDAARO CCCn1nc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c2ccccc2c1=O ZINC000023318082 558548866 /nfs/dbraw/zinc/54/88/66/558548866.db2.gz RSXJQWDMCUDNLK-UHFFFAOYSA-N 1 0 420.517 1.883 50 0 HDAARO CC(=O)NCCC(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023374838 558554571 /nfs/dbraw/zinc/55/45/71/558554571.db2.gz HJVKEZGLCXOIPA-IBGZPJMESA-N 1 0 416.522 1.050 50 0 HDAARO Cn1ncc2c1ncnc2N1CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000025307560 558637285 /nfs/dbraw/zinc/63/72/85/558637285.db2.gz PKWNCJFATWVPKY-INIZCTEOSA-N 1 0 416.913 1.716 50 0 HDAARO O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014535342 558657986 /nfs/dbraw/zinc/65/79/86/558657986.db2.gz GTWNISPXZIEWSY-DNVJHFABSA-N 1 0 415.578 1.795 50 0 HDAARO Cc1ccc(Cl)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](CCCC[NH3+])C(=O)N2C1 ZINC000014731383 558665495 /nfs/dbraw/zinc/66/54/95/558665495.db2.gz NNAQAAGOVCJYIC-DZKIICNBSA-N 1 0 407.902 1.367 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)CC1 ZINC000022936557 558672897 /nfs/dbraw/zinc/67/28/97/558672897.db2.gz HMLFYBKOUAQCMV-UHFFFAOYSA-N 1 0 415.513 1.812 50 0 HDAARO C[NH+]1CCN(CCNC(=O)c2cccn2-c2nnc(N3CCCCCC3)s2)CC1 ZINC000022936245 558674102 /nfs/dbraw/zinc/67/41/02/558674102.db2.gz JFDJUKGUOLDKKR-UHFFFAOYSA-N 1 0 417.583 1.686 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 ZINC000022937146 558678906 /nfs/dbraw/zinc/67/89/06/558678906.db2.gz JEFOPTJIBZAETR-QGZVFWFLSA-N 1 0 417.583 1.299 50 0 HDAARO O=C(Cn1cnnn1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000014963678 558684976 /nfs/dbraw/zinc/68/49/76/558684976.db2.gz LNHIWAQWQFHSJF-IBGZPJMESA-N 1 0 416.501 1.732 50 0 HDAARO COc1cc(N2C[C@@H](C(=O)N3CCC(C[NH+](C)C)CC3)CC2=O)cc(OC)c1OC ZINC000072284858 558715335 /nfs/dbraw/zinc/71/53/35/558715335.db2.gz SQJBNQHSIRUSGC-INIZCTEOSA-N 1 0 419.522 1.866 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@@]21c2ccc(C)c(C)c2NC1=O ZINC000016022084 558767597 /nfs/dbraw/zinc/76/75/97/558767597.db2.gz HJRBTQGLJOGHMF-SKGWCBBHSA-N 1 0 412.490 1.089 50 0 HDAARO O=S(=O)(c1ccc(NC(=S)NCC[NH+]2CCCCC2)cc1)N1CCOCC1 ZINC000017089353 558818031 /nfs/dbraw/zinc/81/80/31/558818031.db2.gz KKNNXCRQVFZCEO-UHFFFAOYSA-N 1 0 412.581 1.480 50 0 HDAARO CCC[NH+]1CCN(CCCNC(=O)CSc2nc3ccccc3n(C)c2=O)CC1 ZINC000033006648 558827829 /nfs/dbraw/zinc/82/78/29/558827829.db2.gz IJSZCYKYLANNHM-UHFFFAOYSA-N 1 0 417.579 1.560 50 0 HDAARO COc1cc(CN2CC[N@@H+](C3CCN(C(C)=O)CC3)C[C@@H]2CCO)cc(OC)c1 ZINC000019223191 558852388 /nfs/dbraw/zinc/85/23/88/558852388.db2.gz ZJTRYIBEPRQIAN-FQEVSTJZSA-N 1 0 405.539 1.583 50 0 HDAARO CCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000033034131 558858264 /nfs/dbraw/zinc/85/82/64/558858264.db2.gz ASOAOPPCAACADS-UHFFFAOYSA-N 1 0 406.483 1.786 50 0 HDAARO CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000055226534 558876782 /nfs/dbraw/zinc/87/67/82/558876782.db2.gz QZUMZQRJRHMTOZ-GOSISDBHSA-N 1 0 401.555 1.540 50 0 HDAARO CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C[C@H](O)CN1CC[NH+](Cc3ccccc3)CC1)C2=O ZINC000019369112 558877707 /nfs/dbraw/zinc/87/77/07/558877707.db2.gz KJKAHKQPGIOZFJ-JXALWOEJSA-N 1 0 413.562 1.976 50 0 HDAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)CCN3C(=O)c4ccccc4C3=O)cn2)CC1 ZINC000058101044 558898905 /nfs/dbraw/zinc/89/89/05/558898905.db2.gz ZVUREWZKTVBEPR-UHFFFAOYSA-N 1 0 421.501 1.526 50 0 HDAARO COc1cccc(N2CCN([C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000058145947 558901881 /nfs/dbraw/zinc/90/18/81/558901881.db2.gz YSSPQZCQPLSQFC-HNNXBMFYSA-N 1 0 418.519 1.492 50 0 HDAARO Cc1ccncc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071747581 558908781 /nfs/dbraw/zinc/90/87/81/558908781.db2.gz BNJQAVVRBGVOAN-GOSISDBHSA-N 1 0 400.523 1.565 50 0 HDAARO CCc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCN(C)CC4)C3)CC2)ncn1 ZINC000071764417 558910313 /nfs/dbraw/zinc/91/03/13/558910313.db2.gz VINWTVFUHWCPHC-GOSISDBHSA-N 1 0 400.571 1.494 50 0 HDAARO CN(C)c1nccnc1N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071774479 558911542 /nfs/dbraw/zinc/91/15/42/558911542.db2.gz IYCLAMPOCTYOCC-QGZVFWFLSA-N 1 0 402.543 1.082 50 0 HDAARO C[NH+]1CCN(CCCNC(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000033060335 558954647 /nfs/dbraw/zinc/95/46/47/558954647.db2.gz LWVHCUYGAYAFHX-UHFFFAOYSA-N 1 0 422.942 1.811 50 0 HDAARO C[NH+](C)CCNC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)c1=O ZINC000033068538 558963287 /nfs/dbraw/zinc/96/32/87/558963287.db2.gz APWIWCRTIBHROS-UHFFFAOYSA-N 1 0 414.893 1.543 50 0 HDAARO CCOc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)cc1 ZINC000064799839 558965755 /nfs/dbraw/zinc/96/57/55/558965755.db2.gz UQCHJBMZAGJUCP-UHFFFAOYSA-N 1 0 411.506 1.983 50 0 HDAARO CCN1CCN(Cc2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2)C(=O)C1=O ZINC000065130572 558970268 /nfs/dbraw/zinc/97/02/68/558970268.db2.gz KQIMVQOGAAABPZ-UHFFFAOYSA-N 1 0 400.523 1.483 50 0 HDAARO CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000067601947 558987691 /nfs/dbraw/zinc/98/76/91/558987691.db2.gz PVTMBTQHKYOSTH-SFHVURJKSA-N 1 0 423.579 1.838 50 0 HDAARO Cc1noc(C)c1S(=O)(=O)N1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1 ZINC000067612602 558988982 /nfs/dbraw/zinc/98/89/82/558988982.db2.gz AHLSAPJFQXUKRA-UHFFFAOYSA-N 1 0 406.512 1.501 50 0 HDAARO Cc1cn2cc(CNC(=O)c3ccc(C[N@@H+]4CCC[C@](C)(O)C4)[nH]c3=O)nc2s1 ZINC000077354324 559002162 /nfs/dbraw/zinc/00/21/62/559002162.db2.gz MTJMYOYQSHCELI-FQEVSTJZSA-N 1 0 415.519 1.669 50 0 HDAARO C[NH+](C)[C@@H]1CCN(CCCN2CC3(CCN(C(=O)c4ccccn4)CC3)OC2=O)C1 ZINC000077406917 559004055 /nfs/dbraw/zinc/00/40/55/559004055.db2.gz SMYXMOUSSFOLKC-GOSISDBHSA-N 1 0 415.538 1.535 50 0 HDAARO CC(C)(C)NC(=O)CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082093618 559037320 /nfs/dbraw/zinc/03/73/20/559037320.db2.gz LAIFVMOPUAERPS-GOSISDBHSA-N 1 0 415.582 1.789 50 0 HDAARO O=C(NCCc1cnccn1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082108415 559038644 /nfs/dbraw/zinc/03/86/44/559038644.db2.gz OKXQJTBHZFZVGM-FQEVSTJZSA-N 1 0 408.550 1.907 50 0 HDAARO CN(C)C(=O)CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082138875 559040649 /nfs/dbraw/zinc/04/06/49/559040649.db2.gz AXTGCYBPFIRINQ-HXUWFJFHSA-N 1 0 400.567 1.610 50 0 HDAARO O=C(C[C@@H]1COCC[NH2+]1)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 ZINC000091304931 559070950 /nfs/dbraw/zinc/07/09/50/559070950.db2.gz YLFROGJSLGSCRS-LJQANCHMSA-N 1 0 400.523 1.234 50 0 HDAARO CN(C)C(=O)NCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095383762 559080692 /nfs/dbraw/zinc/08/06/92/559080692.db2.gz HDZGAWLDSJJBQG-CWFSZBLJSA-N 1 0 400.479 1.075 50 0 HDAARO COc1cc(CN2CCS(=O)(=O)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095503909 559082876 /nfs/dbraw/zinc/08/28/76/559082876.db2.gz PLNZKEPMMJMRQU-QGZVFWFLSA-N 1 0 400.541 1.006 50 0 HDAARO O=C(CCCNS(=O)(=O)c1ccc(F)cc1F)N1CCN(c2ccccn2)CC1 ZINC000014228715 559161059 /nfs/dbraw/zinc/16/10/59/559161059.db2.gz UQHQWBHXNJZMBJ-UHFFFAOYSA-N 1 0 424.473 1.767 50 0 HDAARO Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(C(C)(C)C)=NN3CC[NH+]1CCCCC1 ZINC000005148161 559252969 /nfs/dbraw/zinc/25/29/69/559252969.db2.gz BNSHSCUNFPIMCJ-UHFFFAOYSA-N 1 0 401.515 1.142 50 0 HDAARO CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(S(=O)(=O)c4cccnc4)CC3)C2)CC1 ZINC000575317735 560855598 /nfs/dbraw/zinc/85/55/98/560855598.db2.gz ZMCHOPYASYYTNK-LJQANCHMSA-N 1 0 422.595 1.810 50 0 HDAARO O=C(Nc1ccccc1)c1c(=O)n(-c2ccccc2)[n-][n+]1C[C@H](O)C[NH+]1CCCCC1 ZINC000025182958 560891337 /nfs/dbraw/zinc/89/13/37/560891337.db2.gz LKPCGKYJHWHMHB-HXUWFJFHSA-O 1 0 422.509 1.965 50 0 HDAARO CC(C)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000048325506 568438642 /nfs/dbraw/zinc/43/86/42/568438642.db2.gz SIGDKPILQOTUFO-UHFFFAOYSA-N 1 0 407.458 1.879 50 0 HDAARO COc1cc([C@@H](CC(=O)NCCC[NH+](C)C)c2oc(C)cc(=O)c2O)ccc1O ZINC000604405410 568492635 /nfs/dbraw/zinc/49/26/35/568492635.db2.gz SBZVVFRMEZXDAB-OAHLLOKOSA-N 1 0 404.463 1.958 50 0 biogenic HDAARO COc1ccccc1C[NH+]1CCC(CN2CNc3c(c(=O)n(C)c(=O)n3C)C2)CC1 ZINC000020320205 568598900 /nfs/dbraw/zinc/59/89/00/568598900.db2.gz FHIDLSKHYNAXPS-UHFFFAOYSA-N 1 0 413.522 1.190 50 0 HDAARO CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC(C)(C[NH+]3CCOCC3)CC2)cc1 ZINC000095441793 568610836 /nfs/dbraw/zinc/61/08/36/568610836.db2.gz SSGZCVLTPDHNBX-UHFFFAOYSA-N 1 0 423.579 1.948 50 0 HDAARO COc1cccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)NCC[NH+](C)C)C3)no2)c1 ZINC000096210406 568704453 /nfs/dbraw/zinc/70/44/53/568704453.db2.gz OUEBZIKXLJIECL-MRXNPFEDSA-N 1 0 400.479 1.880 50 0 HDAARO C[C@@H]1CCCN(c2nn3c(ncc(C(=O)NCC[NH+]4CCCCC4)c3=O)s2)C1 ZINC000021537627 568712683 /nfs/dbraw/zinc/71/26/83/568712683.db2.gz ZNDSRNVNWHTQGN-CQSZACIVSA-N 1 0 404.540 1.603 50 0 HDAARO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)CC2)C1=O ZINC000239762182 568729826 /nfs/dbraw/zinc/72/98/26/568729826.db2.gz CLDUQPPFUHJNKE-OALUTQOASA-N 1 0 414.506 1.229 50 0 HDAARO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000028070245 568779087 /nfs/dbraw/zinc/77/90/87/568779087.db2.gz ZBWITZHDIFBIKZ-UHFFFAOYSA-N 1 0 405.543 1.086 50 0 HDAARO CCCc1cc(C(=O)NC[C@@H]2CN(C3CC[NH+](C4CCC4)CC3)C(=O)CO2)n(C)n1 ZINC000299773473 568874364 /nfs/dbraw/zinc/87/43/64/568874364.db2.gz CDZCTVQCADBKQJ-LJQANCHMSA-N 1 0 417.554 1.347 50 0 HDAARO Cc1nc(C)c(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)o1 ZINC000299788007 568875651 /nfs/dbraw/zinc/87/56/51/568875651.db2.gz UPKFRFVAUHTTDE-GOSISDBHSA-N 1 0 404.511 1.371 50 0 HDAARO CN(C)c1cc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)ncn1 ZINC000299790928 568875825 /nfs/dbraw/zinc/87/58/25/568875825.db2.gz CFEXDJWFCVCREZ-GOSISDBHSA-N 1 0 402.543 1.304 50 0 HDAARO Cc1ccc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cn1 ZINC000299793394 568875983 /nfs/dbraw/zinc/87/59/83/568875983.db2.gz GDLPQZVJHKRFPG-HXUWFJFHSA-N 1 0 400.523 1.469 50 0 HDAARO O=C(COc1ccccc1)NC[C@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1 ZINC000299793500 568876040 /nfs/dbraw/zinc/87/60/40/568876040.db2.gz HJSDFMNTGBUMKW-FQEVSTJZSA-N 1 0 401.507 1.426 50 0 HDAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCn2ccnc2)CC1 ZINC000299792811 568876102 /nfs/dbraw/zinc/87/61/02/568876102.db2.gz GMEHJZOVVRKMQP-HXUWFJFHSA-N 1 0 402.470 1.793 50 0 HDAARO O=C(NC12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000670439922 568889675 /nfs/dbraw/zinc/88/96/75/568889675.db2.gz IFKLBSVYKAQMQM-VVLBCNRYSA-N 1 0 414.554 1.728 50 0 HDAARO COC(=O)c1ccc(C[NH2+]CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000058158711 568893834 /nfs/dbraw/zinc/89/38/34/568893834.db2.gz HXHDGOPWWLMWIA-UHFFFAOYSA-N 1 0 408.458 1.999 50 0 HDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cccc(CN3CCOCC3)c2)C1 ZINC000058162188 568894748 /nfs/dbraw/zinc/89/47/48/568894748.db2.gz LIXUZJVRPDBNSB-NRFANRHFSA-N 1 0 404.555 1.675 50 0 HDAARO COc1cc(OC)cc([C@H]2NC(=O)N(C)C3=C2C(=O)N(CC[NH+]2CCCCC2)C3)c1 ZINC000004143837 568916245 /nfs/dbraw/zinc/91/62/45/568916245.db2.gz RBCLBTHTGDDKOZ-HXUWFJFHSA-N 1 0 414.506 1.982 50 0 HDAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CNC(=O)Cn2ccc3ccccc3c2=O)C1 ZINC000004142254 568946376 /nfs/dbraw/zinc/94/63/76/568946376.db2.gz IVFASFAOFWYCHT-QZTJIDSGSA-N 1 0 412.534 1.602 50 0 HDAARO C[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 ZINC000012766425 568948577 /nfs/dbraw/zinc/94/85/77/568948577.db2.gz IWFDAPJVGMECFP-CQSZACIVSA-N 1 0 401.479 1.530 50 0 HDAARO COCC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2C)C1 ZINC000229570194 568951469 /nfs/dbraw/zinc/95/14/69/568951469.db2.gz QNDALPRURNGTNL-HOTGVXAUSA-N 1 0 413.522 1.830 50 0 HDAARO CCc1c(C)nn(CC(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)c1C ZINC000670464095 568960661 /nfs/dbraw/zinc/96/06/61/568960661.db2.gz PHRAFLKPYXCMDW-PAHOBDAQSA-N 1 0 407.562 1.746 50 0 HDAARO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 ZINC000670469808 568983089 /nfs/dbraw/zinc/98/30/89/568983089.db2.gz LDXFDIVHVNNITO-HNNXBMFYSA-N 1 0 404.558 1.058 50 0 HDAARO Cc1cn2c(nc3c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n3C)n1Cc1ccco1 ZINC000006059639 568990064 /nfs/dbraw/zinc/99/00/64/568990064.db2.gz CUAUFTVPPPGRCI-UHFFFAOYSA-N 1 0 410.478 1.585 50 0 HDAARO COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000670471139 568998130 /nfs/dbraw/zinc/99/81/30/568998130.db2.gz ABVGGIBAZRFQOY-CYBMUJFWSA-N 1 0 409.533 1.799 50 0 HDAARO CCCCCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000015864088 569016307 /nfs/dbraw/zinc/01/63/07/569016307.db2.gz HZIAMFIGNVOSRA-UHFFFAOYSA-N 1 0 407.511 1.777 50 0 HDAARO Cn1ncc2c3ccccc3n(CCCC(=O)NCCN3CC[NH+](C)CC3)c2c1=O ZINC000035372401 569033877 /nfs/dbraw/zinc/03/38/77/569033877.db2.gz HDGWIZOFRHZOOE-UHFFFAOYSA-N 1 0 410.522 1.032 50 0 HDAARO O=C(c1cc(=O)nc2sc(N3CCCC3)nn21)N1CCC([NH+]2CCCCC2)CC1 ZINC000035377864 569034454 /nfs/dbraw/zinc/03/44/54/569034454.db2.gz RCNOBXQNLMRRCW-UHFFFAOYSA-N 1 0 416.551 1.842 50 0 HDAARO C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1)n1nnnc1C(C)(C)C ZINC000222182088 569039730 /nfs/dbraw/zinc/03/97/30/569039730.db2.gz PHBJJIZLVQYXDD-GDBMZVCRSA-N 1 0 413.526 1.868 50 0 HDAARO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000229500281 569040512 /nfs/dbraw/zinc/04/05/12/569040512.db2.gz AEPMRHYULFQQRU-RXVVDRJESA-N 1 0 400.523 1.688 50 0 HDAARO COC(=O)c1cn(-c2ccc3c(c2)nc(C[NH+]2CCCC2)n3C)cc2c(=O)[nH]nc1-2 ZINC000253412373 569051405 /nfs/dbraw/zinc/05/14/05/569051405.db2.gz QUGQCAIXQOTOKW-UHFFFAOYSA-N 1 0 406.446 1.935 50 0 HDAARO C[N@@H+]1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@H]2C1 ZINC000245326922 569055907 /nfs/dbraw/zinc/05/59/07/569055907.db2.gz NEMLDXOKRDIZGR-AUSIDOKSSA-N 1 0 404.470 1.628 50 0 HDAARO C[N@H+](CCNC(=O)N1CCCN(C(=O)C(F)(F)F)CC1)CCc1ccccc1 ZINC000426590000 569073451 /nfs/dbraw/zinc/07/34/51/569073451.db2.gz PNNSCNJLMYHUME-UHFFFAOYSA-N 1 0 400.445 1.967 50 0 HDAARO Cc1noc(C)c1CN1CCc2c(C(=O)N(CCO)CC[NH+](C)C)csc2C1 ZINC000426669171 569073836 /nfs/dbraw/zinc/07/38/36/569073836.db2.gz VYZMTALPSGZVCE-UHFFFAOYSA-N 1 0 406.552 1.907 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035991651 569074697 /nfs/dbraw/zinc/07/46/97/569074697.db2.gz QPVIEOBFURDSRQ-LJQANCHMSA-N 1 0 404.486 1.977 50 0 HDAARO COc1ccc(-c2cc(C(=O)N[C@H](C(=O)NCC[NH+](C)C)C(C)C)no2)c(OC)c1 ZINC000035992487 569074791 /nfs/dbraw/zinc/07/47/91/569074791.db2.gz KHGIMWOEYKSNJQ-IBGZPJMESA-N 1 0 418.494 1.791 50 0 HDAARO CC[NH+](CC)CCn1c2sc3c(c2c(=O)n(CC(=O)OC)c1=O)CC(C)(C)OC3 ZINC000006759960 569113314 /nfs/dbraw/zinc/11/33/14/569113314.db2.gz YAPWGIXJAXXPSH-UHFFFAOYSA-N 1 0 423.535 1.591 50 0 HDAARO Cn1nc(C(=O)NCCC[NH+]2CCCCC2)c2c1-c1ccccc1S(=O)(=O)C2 ZINC000006839858 569151206 /nfs/dbraw/zinc/15/12/06/569151206.db2.gz DIGKCBYIVSWVIB-UHFFFAOYSA-N 1 0 402.520 1.980 50 0 HDAARO CN(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)cnc1N1CC[NH2+]CC1 ZINC000065025157 569156236 /nfs/dbraw/zinc/15/62/36/569156236.db2.gz JZYPOCZSOOWZDC-UHFFFAOYSA-N 1 0 403.508 1.135 50 0 HDAARO C[NH+]1CCN(c2ccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cc2)CC1 ZINC000524733262 569212804 /nfs/dbraw/zinc/21/28/04/569212804.db2.gz BVPONIBQKNXMHB-FQEVSTJZSA-N 1 0 421.501 1.908 50 0 HDAARO CCC[NH+]1CCN(C(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)CC1 ZINC000065273757 569214721 /nfs/dbraw/zinc/21/47/21/569214721.db2.gz VKLCYUFYXVPRST-KRWDZBQOSA-N 1 0 419.595 1.471 50 0 HDAARO CCCNc1cc(N2CCC(CCC(=O)NCCN3CC[NH+](C)CC3)CC2)ncn1 ZINC000065274202 569214979 /nfs/dbraw/zinc/21/49/79/569214979.db2.gz LZDYVWLAVYBHGL-UHFFFAOYSA-N 1 0 417.602 1.659 50 0 HDAARO O=C(C[NH+]1CCCCC1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000007338988 569234077 /nfs/dbraw/zinc/23/40/77/569234077.db2.gz ZRMMMJKZDIIZJN-UHFFFAOYSA-N 1 0 403.907 1.798 50 0 HDAARO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000065591185 569236700 /nfs/dbraw/zinc/23/67/00/569236700.db2.gz JWDRMFIGJWVHJD-NSHDSACASA-N 1 0 411.421 1.710 50 0 HDAARO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000007425509 569238137 /nfs/dbraw/zinc/23/81/37/569238137.db2.gz ARTGLBDUYMNIPE-UHFFFAOYSA-N 1 0 421.505 1.115 50 0 HDAARO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(OCCOCCOC)cc2)CC1 ZINC000170607417 569244711 /nfs/dbraw/zinc/24/47/11/569244711.db2.gz MIKAXDNWLNBBMC-UHFFFAOYSA-N 1 0 407.555 1.714 50 0 HDAARO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1S(=O)(=O)NC1CC1 ZINC000089840181 569266932 /nfs/dbraw/zinc/26/69/32/569266932.db2.gz WRRLCVFEZKUQPG-QGZVFWFLSA-N 1 0 409.552 1.986 50 0 HDAARO COc1ccc(CN2C[C@@H](C(=O)N(C)CC3CC[NH+](C[C@H](C)O)CC3)CC2=O)cc1 ZINC000089895909 569267968 /nfs/dbraw/zinc/26/79/68/569267968.db2.gz IUALEDUAIQJFAZ-PXNSSMCTSA-N 1 0 417.550 1.595 50 0 HDAARO Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)[nH+]1 ZINC000017012942 569271343 /nfs/dbraw/zinc/27/13/43/569271343.db2.gz ZCKNWHCUYCTWMO-UHFFFAOYSA-N 1 0 421.498 1.272 50 0 HDAARO COc1ccccc1C(=O)N1CCN(c2nc(N3CCN(C)CC3)cc(C)[nH+]2)CC1 ZINC000017012615 569271519 /nfs/dbraw/zinc/27/15/19/569271519.db2.gz DECMWASZOBNKFZ-UHFFFAOYSA-N 1 0 410.522 1.508 50 0 HDAARO COc1cc(C(=O)N2CCN(c3nc(N(C)C)cc(C)[nH+]3)CC2)cc(OC)c1OC ZINC000017012217 569271567 /nfs/dbraw/zinc/27/15/67/569271567.db2.gz MIRRYPMEMJXLOE-UHFFFAOYSA-N 1 0 415.494 1.839 50 0 HDAARO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)C1 ZINC000079023730 569424590 /nfs/dbraw/zinc/42/45/90/569424590.db2.gz UDKGLGXFHVIYSX-HOTGVXAUSA-N 1 0 403.527 1.596 50 0 HDAARO COc1ccc(C[N@@H+]2CCCN(C(=O)CNC(=O)COc3ccccc3)CC2)cc1 ZINC000040023682 571139658 /nfs/dbraw/zinc/13/96/58/571139658.db2.gz RDFYVKASXMEAFD-UHFFFAOYSA-N 1 0 411.502 1.925 50 0 HDAARO O=C(Nc1cccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1)[C@@H]1CCCO1 ZINC000040118547 571174820 /nfs/dbraw/zinc/17/48/20/571174820.db2.gz DXWDHTFZVJGZGU-FQEVSTJZSA-N 1 0 401.507 1.989 50 0 HDAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCNC(=O)c2ccnc3ccccc32)CC1 ZINC000245020873 571212093 /nfs/dbraw/zinc/21/20/93/571212093.db2.gz MLFCSTWGWZVLFW-GOSISDBHSA-N 1 0 414.550 1.758 50 0 HDAARO CCNC(=O)c1cc(NS(=O)(=O)c2ccccc2C)ccc1N1CC[NH2+]CC1 ZINC000033275437 571315961 /nfs/dbraw/zinc/31/59/61/571315961.db2.gz KCAARRPEISSZGH-UHFFFAOYSA-N 1 0 402.520 1.955 50 0 HDAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCn4cnnn4)C3)C2)c1 ZINC000012468540 1074172775 /nfs/dbraw/zinc/17/27/75/1074172775.db2.gz UXAJZBLLPKLFCI-HXUWFJFHSA-N 1 0 402.474 1.726 50 0 HDAARO COc1cc(C[N@H+](C)CC2CCOCC2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012575942 1075706628 /nfs/dbraw/zinc/70/66/28/1075706628.db2.gz VKTGCVDZKIEGFI-FQEVSTJZSA-N 1 0 408.539 1.626 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000009049233 132335183 /nfs/dbraw/zinc/33/51/83/132335183.db2.gz PPHWWJCJQDCCCJ-RTBURBONSA-N 1 0 407.474 1.610 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@]21c2ccc(C)c(C)c2NC1=O ZINC000020548778 520561868 /nfs/dbraw/zinc/56/18/68/520561868.db2.gz HJRBTQGLJOGHMF-RPWDQDSNSA-N 1 0 412.490 1.089 50 0 HDAARO CCC(=O)c1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000032682385 521247838 /nfs/dbraw/zinc/24/78/38/521247838.db2.gz ADILIJBAJVMKBJ-KRWDZBQOSA-N 1 0 406.504 1.499 50 0 HDAARO COCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Br)c1 ZINC000045966851 523240237 /nfs/dbraw/zinc/24/02/37/523240237.db2.gz UHTVXEVLPVTSBJ-UHFFFAOYSA-N 1 0 412.328 1.750 50 0 HDAARO Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C[C@@H]2CCCO2)cc1C ZINC000045974406 524313589 /nfs/dbraw/zinc/31/35/89/524313589.db2.gz MIVDSWLGLSNVBR-SFHVURJKSA-N 1 0 409.552 1.213 50 0 HDAARO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H](C)Sc3nncn3C)CC2)c1 ZINC000045732992 524554624 /nfs/dbraw/zinc/55/46/24/524554624.db2.gz MTLWJGYQJDNIMY-QGZVFWFLSA-N 1 0 402.568 1.933 50 0 HDAARO CC[NH+](CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000004812655 557600785 /nfs/dbraw/zinc/60/07/85/557600785.db2.gz NUQZVNRZNAJTAV-UHFFFAOYSA-N 1 0 402.474 1.375 50 0 biogenic HDAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2)N2CC[NH+](C)CC2)cc1 ZINC000022778531 557821229 /nfs/dbraw/zinc/82/12/29/557821229.db2.gz GPVOSBZHRSAFTF-HXUWFJFHSA-N 1 0 414.481 1.878 50 0 HDAARO O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022804637 557824731 /nfs/dbraw/zinc/82/47/31/557824731.db2.gz PSRJYRJXETVWNL-UHFFFAOYSA-N 1 0 420.579 1.325 50 0 HDAARO CCOC(=O)c1sc(NC(=O)CN2CC[NH+](CC)CC2)c(C(=O)OCC)c1C ZINC000019790494 558282527 /nfs/dbraw/zinc/28/25/27/558282527.db2.gz JPLARIRONLKSNE-UHFFFAOYSA-N 1 0 411.524 1.986 50 0 HDAARO COc1cc(C[NH2+]CCCn2ccnc2C)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000011820105 558283373 /nfs/dbraw/zinc/28/33/73/558283373.db2.gz HCEWJZQTHOYOCF-FQEVSTJZSA-N 1 0 418.538 1.452 50 0 HDAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000012048069 558313318 /nfs/dbraw/zinc/31/33/18/558313318.db2.gz DTIBCVSJIPGATC-SFHVURJKSA-N 1 0 407.540 1.591 50 0 HDAARO O=C(Cc1cccc2ccccc21)NCC(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022935164 558653824 /nfs/dbraw/zinc/65/38/24/558653824.db2.gz SAJVNHOAPSKNJB-UHFFFAOYSA-N 1 0 408.546 1.739 50 0 HDAARO O=C(NCCO)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014741540 558667184 /nfs/dbraw/zinc/66/71/84/558667184.db2.gz AYAHZNGZXUNHBM-NFBKMPQASA-N 1 0 411.546 1.719 50 0 HDAARO [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3c(Cl)cccc3Cl)CN2C1=O ZINC000014749849 558670346 /nfs/dbraw/zinc/67/03/46/558670346.db2.gz OVQLWYWJCNSVNI-BPNCWPANSA-N 1 0 413.305 1.320 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)CC1 ZINC000022936497 558672744 /nfs/dbraw/zinc/67/27/44/558672744.db2.gz VDAQWAAXIVYBDK-UHFFFAOYSA-N 1 0 416.478 1.341 50 0 HDAARO CC[NH+](CC)[C@H](C(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1)c1ccccc1 ZINC000072274131 558699571 /nfs/dbraw/zinc/69/95/71/558699571.db2.gz QXJRYWIGNOUHKA-NRFANRHFSA-N 1 0 412.538 1.679 50 0 HDAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000015671247 558748180 /nfs/dbraw/zinc/74/81/80/558748180.db2.gz AUYKDMIVLNTYAZ-UHFFFAOYSA-N 1 0 417.535 1.905 50 0 HDAARO CCOc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)cc1 ZINC000015671224 558748306 /nfs/dbraw/zinc/74/83/06/558748306.db2.gz SUQTXXOHBBAYPC-UHFFFAOYSA-N 1 0 405.524 1.761 50 0 HDAARO Cc1ccnc(N2CCC[C@@H](C(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)C2)n1 ZINC000035454359 558792087 /nfs/dbraw/zinc/79/20/87/558792087.db2.gz BSZJRNVCAMVXRW-GOSISDBHSA-N 1 0 414.554 1.334 50 0 HDAARO COc1cccc(C[N@H+](C)CCc2cnn(C)c2)c1OC[C@H](O)CN1CCOCC1 ZINC000039478304 558821703 /nfs/dbraw/zinc/82/17/03/558821703.db2.gz QTFZPCJCPQNWGG-HXUWFJFHSA-N 1 0 418.538 1.175 50 0 HDAARO CCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cccc(C)c2)c1 ZINC000033034172 558858062 /nfs/dbraw/zinc/85/80/62/558858062.db2.gz ZYQFCHCXSVDKPD-UHFFFAOYSA-N 1 0 402.520 1.955 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(CC)CC2)=[NH+][C@@H]1c1ccc(O)c(OCC)c1 ZINC000054254896 558866985 /nfs/dbraw/zinc/86/69/85/558866985.db2.gz NNGNSJNOYJBEIP-QZTJIDSGSA-N 1 0 418.494 1.135 50 0 HDAARO CN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000055226544 558876724 /nfs/dbraw/zinc/87/67/24/558876724.db2.gz QZUMZQRJRHMTOZ-SFHVURJKSA-N 1 0 401.555 1.540 50 0 HDAARO CCCc1nc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCN(C)CC4)C3)CC2)no1 ZINC000071416215 558897635 /nfs/dbraw/zinc/89/76/35/558897635.db2.gz UWKHSTYNZPOMQH-KRWDZBQOSA-N 1 0 404.559 1.477 50 0 HDAARO Cn1cc(NC(=O)CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cn1 ZINC000071439698 558899612 /nfs/dbraw/zinc/89/96/12/558899612.db2.gz POEYESKBEYBVED-QGZVFWFLSA-N 1 0 402.543 1.157 50 0 HDAARO COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)NCC[NH+](C)C ZINC000033171404 558900055 /nfs/dbraw/zinc/90/00/55/558900055.db2.gz NEYPCXIPHFJVHE-UHFFFAOYSA-N 1 0 403.508 1.862 50 0 HDAARO CN(C)c1ccnc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071749275 558908730 /nfs/dbraw/zinc/90/87/30/558908730.db2.gz AGBQKOGVVDTVNY-KRWDZBQOSA-N 1 0 402.543 1.082 50 0 HDAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCN(C)CC4)C3)CC2)no1 ZINC000071754399 558909383 /nfs/dbraw/zinc/90/93/83/558909383.db2.gz MZKBXLBGPQLOCJ-QGZVFWFLSA-N 1 0 403.527 1.074 50 0 HDAARO CCc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)nc(C)n1 ZINC000071759474 558909761 /nfs/dbraw/zinc/90/97/61/558909761.db2.gz ZHUDPIOHDJOZHJ-SFHVURJKSA-N 1 0 401.555 1.887 50 0 HDAARO Cn1cccc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071765440 558910559 /nfs/dbraw/zinc/91/05/59/558910559.db2.gz PDMCPJRIZSJMIX-GOSISDBHSA-N 1 0 401.555 1.116 50 0 HDAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCc1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000033062708 558956212 /nfs/dbraw/zinc/95/62/12/558956212.db2.gz HYFASSUZEOEYEW-INIZCTEOSA-N 1 0 420.535 1.967 50 0 HDAARO C[NH+]1CCC(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)CC1 ZINC000065362353 558972999 /nfs/dbraw/zinc/97/29/99/558972999.db2.gz CXAGYXBUGUTCTE-UHFFFAOYSA-N 1 0 404.330 1.426 50 0 HDAARO Cc1ccc(F)cc1S(=O)(=O)NCCNc1cc(N2CCOCC2)nc(C)[nH+]1 ZINC000067604039 558988404 /nfs/dbraw/zinc/98/84/04/558988404.db2.gz KOZMKZPJLREXTH-UHFFFAOYSA-N 1 0 409.487 1.460 50 0 HDAARO COc1cccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)c1 ZINC000067613985 558989415 /nfs/dbraw/zinc/98/94/15/558989415.db2.gz NFOJGCNRPDNRHS-UHFFFAOYSA-N 1 0 407.496 1.021 50 0 HDAARO CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000067630276 558990494 /nfs/dbraw/zinc/99/04/94/558990494.db2.gz QJAGLBNFZYTELY-UHFFFAOYSA-N 1 0 424.567 1.617 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000097165417 558998546 /nfs/dbraw/zinc/99/85/46/558998546.db2.gz GSRSOCLLZSJXHO-LLVKDONJSA-N 1 0 405.314 1.983 50 0 HDAARO C[NH+](C)CCNC(=O)Cn1c(Cc2ccccc2)nn(-c2ccc(Cl)cc2)c1=O ZINC000077454470 559005647 /nfs/dbraw/zinc/00/56/47/559005647.db2.gz HJVJTXGPYNLEQK-UHFFFAOYSA-N 1 0 413.909 1.956 50 0 HDAARO CCCCN1CCN([C@H](C(=O)NCC2CC[NH+](C)CC2)c2ccccc2)C(=O)C1=O ZINC000077470779 559006547 /nfs/dbraw/zinc/00/65/47/559006547.db2.gz QSYICKLQEVKKGG-FQEVSTJZSA-N 1 0 414.550 1.657 50 0 HDAARO Cc1cn2cc(CNC(=O)c3ccc(CN4CCCC[C@@H]4C[NH3+])[nH]c3=O)nc2s1 ZINC000077505359 559007729 /nfs/dbraw/zinc/00/77/29/559007729.db2.gz SZQNAVJFNVCJDW-MRXNPFEDSA-N 1 0 414.535 1.636 50 0 HDAARO Cc1ccc(N(CC(=O)NCCC[N@H+]2CCCC[C@H]2C)S(=O)(=O)N(C)C)cc1 ZINC000033269467 559032243 /nfs/dbraw/zinc/03/22/43/559032243.db2.gz LRQNLUYTHKZETB-GOSISDBHSA-N 1 0 410.584 1.989 50 0 HDAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cccnn3)CC2)C1 ZINC000082137056 559040224 /nfs/dbraw/zinc/04/02/24/559040224.db2.gz ZQGLAZOMAJHZLU-KRWDZBQOSA-N 1 0 408.506 1.505 50 0 HDAARO O=C(C[C@H]1COCC[NH2+]1)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 ZINC000091304934 559070934 /nfs/dbraw/zinc/07/09/34/559070934.db2.gz YLFROGJSLGSCRS-IBGZPJMESA-N 1 0 400.523 1.234 50 0 HDAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@@H]1CCCC[N@@H+]1C)CC2 ZINC000095512547 559084239 /nfs/dbraw/zinc/08/42/39/559084239.db2.gz MRKUPQZYVZDUFN-INIZCTEOSA-N 1 0 403.527 1.133 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cc(C)[nH]c(=O)c2)CC1 ZINC000095519610 559084910 /nfs/dbraw/zinc/08/49/10/559084910.db2.gz CFBCJJBCAJQZDF-IBGZPJMESA-N 1 0 402.539 1.916 50 0 HDAARO CC[NH+]1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3nc(C)no3)c2)CC1 ZINC000095528162 559086358 /nfs/dbraw/zinc/08/63/58/559086358.db2.gz AZWBCLSVCLMKQI-LJQANCHMSA-N 1 0 403.527 1.387 50 0 HDAARO O=C(NCCc1nc2ccccc2s1)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1 ZINC000096141443 559095619 /nfs/dbraw/zinc/09/56/19/559095619.db2.gz ZHNDVMDOGVXFHY-CABCVRRESA-N 1 0 402.520 1.040 50 0 HDAARO COc1cc(OC)cc(C(=O)N(CC[NH+]2CCCC2)CC(=O)Nc2ccon2)c1 ZINC000004872997 559194697 /nfs/dbraw/zinc/19/46/97/559194697.db2.gz LPANPCIYDSFRFS-UHFFFAOYSA-N 1 0 402.451 1.869 50 0 HDAARO CCCC[N@H+](CC)CCNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O ZINC000004876194 559195341 /nfs/dbraw/zinc/19/53/41/559195341.db2.gz XPCRNHHOYGPIJK-UHFFFAOYSA-N 1 0 400.523 1.746 50 0 HDAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C[C@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000409413878 559250842 /nfs/dbraw/zinc/25/08/42/559250842.db2.gz FUCAKXSWTSBMKR-JQHSSLGASA-N 1 0 402.495 1.813 50 0 HDAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000011998132 559270056 /nfs/dbraw/zinc/27/00/56/559270056.db2.gz WKGFXKDQVHWSLB-KRWDZBQOSA-N 1 0 417.487 1.913 50 0 HDAARO COCCC(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000575560107 560855629 /nfs/dbraw/zinc/85/56/29/560855629.db2.gz WPFWWDZHPCZFAM-LJQANCHMSA-N 1 0 402.539 1.780 50 0 HDAARO O=C(Cn1ncc2ccccc21)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2 ZINC000108455616 568419015 /nfs/dbraw/zinc/41/90/15/568419015.db2.gz FBCDCUHKZTZCSX-VQTJNVASSA-N 1 0 403.486 1.751 50 0 HDAARO C[NH+](C)[C@H](CNC(=O)NCCCn1nc2n(c1=O)CCCC2)c1cccc(F)c1 ZINC000049797966 568453558 /nfs/dbraw/zinc/45/35/58/568453558.db2.gz MIJJOSIREYCLPT-QGZVFWFLSA-N 1 0 404.490 1.512 50 0 HDAARO C[NH+](C)CCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21 ZINC000012233346 568454537 /nfs/dbraw/zinc/45/45/37/568454537.db2.gz YEROMHOTEVXPPM-CQSZACIVSA-N 1 0 416.482 1.436 50 0 HDAARO COc1c(C)cc(S(=O)(=O)NC[C@@H](c2cccn2C)N2CC[NH+](C)CC2)cc1C ZINC000021155212 568462201 /nfs/dbraw/zinc/46/22/01/568462201.db2.gz VTFHQZAXXNNGLP-FQEVSTJZSA-N 1 0 420.579 1.918 50 0 HDAARO O=C(Cc1ccccc1Br)NC1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000390829695 568591933 /nfs/dbraw/zinc/59/19/33/568591933.db2.gz FZMHFKLKVCEBDA-HNNXBMFYSA-N 1 0 415.353 1.759 50 0 HDAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(CN2CNc3c(c(=O)n(C)c(=O)n3C)C2)o1 ZINC000020320252 568598875 /nfs/dbraw/zinc/59/88/75/568598875.db2.gz AIFWKKCDAPVQNN-HNNXBMFYSA-N 1 0 401.511 1.827 50 0 HDAARO O=C(c1cccc(O)c1)N1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000095350918 568601078 /nfs/dbraw/zinc/60/10/78/568601078.db2.gz GARLPBSQDLTNKQ-QFIPXVFZSA-N 1 0 423.513 1.875 50 0 HDAARO CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCC[NH+]3CCCCC3)C2)CC1 ZINC000020389262 568603933 /nfs/dbraw/zinc/60/39/33/568603933.db2.gz RTYXKAGODPRMDG-SFHVURJKSA-N 1 0 400.589 1.277 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)CCC(=O)N2CCOc3ccc(Cl)cc32)CC1 ZINC000020465993 568610364 /nfs/dbraw/zinc/61/03/64/568610364.db2.gz QZHBOWFNEMVGTF-UHFFFAOYSA-N 1 0 422.957 1.989 50 0 HDAARO O=C(CN1C(=O)COc2ccccc21)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020688194 568640289 /nfs/dbraw/zinc/64/02/89/568640289.db2.gz RNMUXJXDYNIQDQ-UHFFFAOYSA-N 1 0 422.529 1.736 50 0 HDAARO CC[NH+]1CCN(CC(=O)NCc2noc(-c3cccc(Br)c3)n2)CC1 ZINC000225740394 568669935 /nfs/dbraw/zinc/66/99/35/568669935.db2.gz SEWYZRVGTJXBGP-UHFFFAOYSA-N 1 0 408.300 1.753 50 0 HDAARO Cn1cccc1[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CC[NH+](C)CC1 ZINC000021155016 568673435 /nfs/dbraw/zinc/67/34/35/568673435.db2.gz KGSOJRYYERDMJU-GOSISDBHSA-N 1 0 420.535 1.063 50 0 HDAARO C[C@@H]1[C@H](NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCC[N@@H+]1C ZINC000096010238 568683775 /nfs/dbraw/zinc/68/37/75/568683775.db2.gz NFXLZIZQVZTWTK-IUODEOHRSA-N 1 0 418.357 1.716 50 0 HDAARO O=c1c2ccccc2c(CNS(=O)(=O)c2cccnc2)nn1CC[NH+]1CCCC1 ZINC000096096334 568688823 /nfs/dbraw/zinc/68/88/23/568688823.db2.gz XWCUMBWYNPALJH-UHFFFAOYSA-N 1 0 413.503 1.366 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2ccc(CN3c4ccnn4CCC3=O)cc2)CC1 ZINC000021531105 568710868 /nfs/dbraw/zinc/71/08/68/568710868.db2.gz RABGNPIJMCWMOZ-UHFFFAOYSA-N 1 0 410.522 1.187 50 0 HDAARO COC(=O)CC[C@H]1C[N@H+](Cc2cc(OC)c(O)c(OC)c2)CC[C@H]1N1CCOCC1 ZINC000014992645 568721740 /nfs/dbraw/zinc/72/17/40/568721740.db2.gz UNBMJKNDSOOFAY-ZWKOTPCHSA-N 1 0 422.522 1.885 50 0 HDAARO COCCN1C(=O)C(=C(C)NC[C@@H](c2ccc(OC)cc2)[NH+](C)C)C(=O)NC1=S ZINC000025571576 568822101 /nfs/dbraw/zinc/82/21/01/568822101.db2.gz HQHGLNKEWJTRIK-MUBYSKIDSA-N 1 0 420.535 1.051 50 0 HDAARO COc1cc2ncn(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)c2cc1OC ZINC000226848353 568824581 /nfs/dbraw/zinc/82/45/81/568824581.db2.gz BMCMFXYLUJCSQB-YJBOKZPZSA-N 1 0 414.506 1.794 50 0 HDAARO COc1cccc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@@H]3C(=O)N(CC[NH+](C)C)C(=O)[C@H]23)c1OC ZINC000168120033 568829305 /nfs/dbraw/zinc/82/93/05/568829305.db2.gz PDGGZHFADDVANG-XDWVOIJPSA-N 1 0 413.474 1.235 50 0 HDAARO COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+]CCc1ccccc1 ZINC000005935754 568830502 /nfs/dbraw/zinc/83/05/02/568830502.db2.gz PMGBELFMHZQDMS-UHFFFAOYSA-N 1 0 419.503 1.729 50 0 HDAARO COc1cc2nc(CN3C[C@@H]([NH+]4CCCC4)[C@@H](SC)C3)[nH]c(=O)c2cc1OC ZINC000230247808 568856517 /nfs/dbraw/zinc/85/65/17/568856517.db2.gz IXKQWVHGVCUEDA-QAPCUYQASA-N 1 0 404.536 1.952 50 0 HDAARO O=c1[nH]ccn1CC[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299763528 568873500 /nfs/dbraw/zinc/87/35/00/568873500.db2.gz WPVIKDXMSSOKGF-IBGZPJMESA-N 1 0 418.469 1.086 50 0 HDAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccccc1F ZINC000299772386 568874278 /nfs/dbraw/zinc/87/42/78/568874278.db2.gz VPCXOVYORHZSNS-SFHVURJKSA-N 1 0 403.498 1.905 50 0 HDAARO Cn1cc(C[NH+]2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)cn1 ZINC000299778711 568874814 /nfs/dbraw/zinc/87/48/14/568874814.db2.gz HGHRLLUTCJXQQN-HXUWFJFHSA-N 1 0 402.470 1.830 50 0 HDAARO Cc1cc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cc(=O)[nH]1 ZINC000299798526 568876444 /nfs/dbraw/zinc/87/64/44/568876444.db2.gz SGHHEKSPUARJOU-LJQANCHMSA-N 1 0 416.522 1.175 50 0 HDAARO O=C(Cc1cccnc1)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299799745 568876546 /nfs/dbraw/zinc/87/65/46/568876546.db2.gz ZVRYWGFUKMARHS-FQEVSTJZSA-N 1 0 400.523 1.090 50 0 HDAARO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccc2c(c1)OCC(=O)N2 ZINC000670448943 568921774 /nfs/dbraw/zinc/92/17/74/568921774.db2.gz QBRKEQJCRCTBCH-XAHYOPIXSA-N 1 0 418.497 1.315 50 0 HDAARO Cn1nc(C(F)F)cc1C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670453458 568929026 /nfs/dbraw/zinc/92/90/26/568929026.db2.gz ONIIYPSTXOAUGB-UARVQCNDSA-N 1 0 401.461 1.655 50 0 HDAARO Cc1cc(NC(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000084102010 568937768 /nfs/dbraw/zinc/93/77/68/568937768.db2.gz MADSUZUXPMRULE-MSOLQXFVSA-N 1 0 423.583 1.440 50 0 HDAARO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)cc1 ZINC000012772718 568952790 /nfs/dbraw/zinc/95/27/90/568952790.db2.gz CGTJMTGYZCKCJD-UHFFFAOYSA-N 1 0 407.536 1.454 50 0 HDAARO CCc1ccc([C@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)[NH+](C)C)cc1 ZINC000012779799 568956705 /nfs/dbraw/zinc/95/67/05/568956705.db2.gz YHRQBZQBVFCZCV-SFHVURJKSA-N 1 0 405.520 1.938 50 0 HDAARO COc1ccc(C)cc1S(=O)(=O)NCCNc1cc(N2CCOCC2)nc(C)[nH+]1 ZINC000038488315 568997464 /nfs/dbraw/zinc/99/74/64/568997464.db2.gz MREBNPNEQHYKQO-UHFFFAOYSA-N 1 0 421.523 1.329 50 0 HDAARO CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)NCCC[NH+]1CCCC1 ZINC000085648436 569005538 /nfs/dbraw/zinc/00/55/38/569005538.db2.gz DAZLUXFGBLGWIB-UHFFFAOYSA-N 1 0 422.555 1.064 50 0 HDAARO CC[N@H+](C)CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@H]3COC)cc2C1 ZINC000107112989 569009169 /nfs/dbraw/zinc/00/91/69/569009169.db2.gz VNHAZOMDWOGIGL-SFHVURJKSA-N 1 0 409.552 1.323 50 0 HDAARO O=C(NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000583652781 569009316 /nfs/dbraw/zinc/00/93/16/569009316.db2.gz NHJPOQJLVGKCER-SQNIBIBYSA-N 1 0 424.501 1.025 50 0 biogenic HDAARO Cc1nc2ncc3c(ccn(CC(=O)NC[C@@H]4CCC[N@@H+]5CCCC[C@H]45)c3=O)n2n1 ZINC000085875844 569009567 /nfs/dbraw/zinc/00/95/67/569009567.db2.gz VXGXENJFBDPUSY-DOTOQJQBSA-N 1 0 409.494 1.128 50 0 biogenic HDAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@H](C(=O)NCC[NH+](C)C)C2)c1C ZINC000035510147 569042025 /nfs/dbraw/zinc/04/20/25/569042025.db2.gz DODJNBDQYOXQCZ-KRWDZBQOSA-N 1 0 420.554 1.657 50 0 HDAARO O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000137854087 569053755 /nfs/dbraw/zinc/05/37/55/569053755.db2.gz BIFWRLIMBVQLOC-LEWJJULVSA-N 1 0 417.421 1.847 50 0 HDAARO C[C@@H]1Oc2ccccc2N(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1=O ZINC000242292581 569055076 /nfs/dbraw/zinc/05/50/76/569055076.db2.gz YNLHLKONCYNHNY-VDZJLULYSA-N 1 0 401.507 1.685 50 0 HDAARO CCc1ccc(CN2CCc3c(C(=O)N[C@@H]4CC[NH2+]C[C@H]4O)csc3C2)nc1 ZINC000426668349 569073778 /nfs/dbraw/zinc/07/37/78/569073778.db2.gz NFXCBPAOTBNJSG-RTBURBONSA-N 1 0 400.548 1.716 50 0 HDAARO CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCC[NH+](C)C)c1=O)CC[C@@H](C)C3 ZINC000006759250 569113142 /nfs/dbraw/zinc/11/31/42/569113142.db2.gz ZGSFUTXQOXPVPD-CYBMUJFWSA-N 1 0 407.536 1.864 50 0 HDAARO C[NH+](C)CCNC(=O)CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)c2ccccc21 ZINC000064971541 569139566 /nfs/dbraw/zinc/13/95/66/569139566.db2.gz TXZYEQIWCLRJGP-UHFFFAOYSA-N 1 0 413.453 1.889 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)c2cnn3c2ncc2c3CC(C)(C)CC2=O)CC1 ZINC000064987474 569145078 /nfs/dbraw/zinc/14/50/78/569145078.db2.gz JIPNSGWUQIYHQD-UHFFFAOYSA-N 1 0 412.538 1.642 50 0 HDAARO COCCCNC1=[NH+]CCNC12CCN(S(=O)(=O)c1ccc(C)cc1C)CC2 ZINC000065074815 569169167 /nfs/dbraw/zinc/16/91/67/569169167.db2.gz QSMZEKGQLNGFOY-UHFFFAOYSA-N 1 0 408.568 1.455 50 0 biogenic HDAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)C1 ZINC000006942894 569186964 /nfs/dbraw/zinc/18/69/64/569186964.db2.gz GAKHQIWEWWRFSS-GUDVDZBRSA-N 1 0 414.616 1.523 50 0 HDAARO CCCNc1cc(N2CCC[C@@H](CCC(=O)NCCN3CC[NH+](C)CC3)C2)ncn1 ZINC000065244911 569204953 /nfs/dbraw/zinc/20/49/53/569204953.db2.gz XSRNRCMSPONCBV-IBGZPJMESA-N 1 0 417.602 1.659 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2cn3ccnc(-c4ccc(OC)cc4)c3n2)CC1 ZINC000065274459 569215114 /nfs/dbraw/zinc/21/51/14/569215114.db2.gz NSSFILYZDQBSIA-UHFFFAOYSA-N 1 0 408.506 1.772 50 0 HDAARO Cn1cc2c(n1)nc(C(=O)N1CC[NH+](C3CCCC3)CC1)nc2N1CCSCC1 ZINC000065284433 569216646 /nfs/dbraw/zinc/21/66/46/569216646.db2.gz JAEPREOXIJAHSU-UHFFFAOYSA-N 1 0 415.567 1.617 50 0 HDAARO Cc1cc(N2CC[NH+](C)CC2)n2nc(CN3CCN(c4ccccc4C)CC3)nc2n1 ZINC000065311631 569220934 /nfs/dbraw/zinc/22/09/34/569220934.db2.gz NLONEMCKSAHYPW-UHFFFAOYSA-N 1 0 420.565 1.815 50 0 HDAARO Cn1ncc(N2CCC[C@H](C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C2)cc1=O ZINC000065313909 569222993 /nfs/dbraw/zinc/22/29/93/569222993.db2.gz PCOFNKDEOMISGL-FQEVSTJZSA-N 1 0 409.534 1.561 50 0 HDAARO C[C@H](C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1 ZINC000170601434 569243244 /nfs/dbraw/zinc/24/32/44/569243244.db2.gz MQMPZNSQYGDVHE-JPYJTQIMSA-N 1 0 420.517 1.997 50 0 HDAARO CC[NH+](CC)CCNc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)n1C ZINC000010386061 569254444 /nfs/dbraw/zinc/25/44/44/569254444.db2.gz SSUJIRDDWLXNRF-UHFFFAOYSA-N 1 0 418.929 1.889 50 0 HDAARO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000089895928 569267946 /nfs/dbraw/zinc/26/79/46/569267946.db2.gz KLEMROIIZDNSTC-CYBMUJFWSA-N 1 0 400.317 1.162 50 0 HDAARO COc1cccc(C(=O)NCCN2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)c1OC ZINC000252494508 569290700 /nfs/dbraw/zinc/29/07/00/569290700.db2.gz NXOONJPYHMGHQV-KRWDZBQOSA-N 1 0 423.554 1.227 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000253535035 569382810 /nfs/dbraw/zinc/38/28/10/569382810.db2.gz FDYKSRFLVHUALH-IEBWSBKVSA-N 1 0 416.522 1.743 50 0 HDAARO CN(C(=O)COc1coc(C[NH+]2CCCCCC2)cc1=O)[C@H]1CCS(=O)(=O)C1 ZINC000079491173 569432537 /nfs/dbraw/zinc/43/25/37/569432537.db2.gz IEVXGWZJODVBEZ-HNNXBMFYSA-N 1 0 412.508 1.040 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@@H]1c1ccccc1OCC ZINC000067286835 571065211 /nfs/dbraw/zinc/06/52/11/571065211.db2.gz ONLWNBIOJYYUFM-LJQANCHMSA-N 1 0 402.495 1.504 50 0 HDAARO CCOc1ccc(CC(=O)NCC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1 ZINC000008791920 571120172 /nfs/dbraw/zinc/12/01/72/571120172.db2.gz LXKFSIOPKHWHIA-UHFFFAOYSA-N 1 0 411.506 1.131 50 0 biogenic HDAARO CCOC(=O)c1sc(NC(=O)C(=O)NCCC[NH+](C)C)c(C(=O)OCC)c1C ZINC000009183636 571234531 /nfs/dbraw/zinc/23/45/31/571234531.db2.gz YVOWQPBSMPRVHF-UHFFFAOYSA-N 1 0 413.496 1.416 50 0 HDAARO Cc1cn2c3c(nc2n1CC[NH+](C)C)n(C)c(=O)n(Cc1ccc(Cl)cc1)c3=O ZINC000009418620 571256447 /nfs/dbraw/zinc/25/64/47/571256447.db2.gz JBGKBXSCJFRQJQ-UHFFFAOYSA-N 1 0 414.897 1.721 50 0 HDAARO Cc1cn2c3c(nc2n1CCC[N@@H+]1CCc2ccccc2C1)n(C)c(=O)n(C)c3=O ZINC000009421328 571257058 /nfs/dbraw/zinc/25/70/58/571257058.db2.gz SZRIIFQEVCMRON-UHFFFAOYSA-N 1 0 406.490 1.443 50 0 HDAARO COc1cc(C[N@H+](C)CC2CCOCC2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012575947 1075706782 /nfs/dbraw/zinc/70/67/82/1075706782.db2.gz VKTGCVDZKIEGFI-HXUWFJFHSA-N 1 0 408.539 1.626 50 0 HDAARO Cc1cc(C)cc(N2CCN(C(=O)c3cn(CC[NH+]4CCCCC4)nn3)CC2=O)c1 ZINC000011814019 132351027 /nfs/dbraw/zinc/35/10/27/132351027.db2.gz QNALWKYXGYGPFK-UHFFFAOYSA-N 1 0 410.522 1.870 50 0 HDAARO CC(C)OCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(N(C)C)cc1 ZINC000045966863 519762381 /nfs/dbraw/zinc/76/23/81/519762381.db2.gz IFYXSWIAWGVFDW-UHFFFAOYSA-N 1 0 404.555 1.832 50 0 HDAARO C[NH+](C)CCN1CCN(C(=O)c2csc(NC(=O)c3ccccc3F)n2)CC1 ZINC000040356024 521760243 /nfs/dbraw/zinc/76/02/43/521760243.db2.gz LSSWHDMTCKNRON-UHFFFAOYSA-N 1 0 405.499 1.854 50 0 HDAARO COc1ccc(CCN2C[C@H](C(=O)N3CC[NH+](CC(C)C)CC3)CC2=O)cc1OC ZINC000043008174 523952655 /nfs/dbraw/zinc/95/26/55/523952655.db2.gz ADJDFAXNPSOKRG-LJQANCHMSA-N 1 0 417.550 1.895 50 0 HDAARO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H](C)C[NH+]3CCCC3)C2)cc1 ZINC000072437101 525029873 /nfs/dbraw/zinc/02/98/73/525029873.db2.gz PFCKZGUAMLSVOT-ZWKOTPCHSA-N 1 0 423.579 1.944 50 0 HDAARO CC[NH+](CC)CCN1c2ccc(C)cc2[C@]2(SC(NC(C)=O)=NN2C(C)=O)C1=O ZINC000002434103 557347031 /nfs/dbraw/zinc/34/70/31/557347031.db2.gz AWIQZFLTRWEGHB-FQEVSTJZSA-N 1 0 417.535 1.839 50 0 HDAARO COc1cccc(C(=O)N2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)c1 ZINC000034912255 557486781 /nfs/dbraw/zinc/48/67/81/557486781.db2.gz VGBGBBCRLAFQTJ-UHFFFAOYSA-N 1 0 415.534 1.871 50 0 HDAARO COc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)ccc1OCC(N)=O ZINC000007540259 557746136 /nfs/dbraw/zinc/74/61/36/557746136.db2.gz SDTXCMLVNOMCAF-UHFFFAOYSA-N 1 0 414.491 1.417 50 0 HDAARO CCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2)N2CC[NH+](CCO)CC2)c1=O ZINC000022696845 557783862 /nfs/dbraw/zinc/78/38/62/557783862.db2.gz LDWNRWWKRZILLZ-NRFANRHFSA-N 1 0 401.507 1.590 50 0 HDAARO COc1cccc(C[NH2+]CCNC(=O)c2nonc2N)c1OCc1ccccc1F ZINC000008495647 557793399 /nfs/dbraw/zinc/79/33/99/557793399.db2.gz GDQRYVPWXVZKMW-UHFFFAOYSA-N 1 0 415.425 1.898 50 0 HDAARO Cc1ccc([C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022796500 557823334 /nfs/dbraw/zinc/82/33/34/557823334.db2.gz RQZLQQQMMSJAKH-NRFANRHFSA-N 1 0 412.509 1.855 50 0 HDAARO O=C(CCC1CCN(C(=O)Cn2cncn2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000011814056 558278447 /nfs/dbraw/zinc/27/84/47/558278447.db2.gz KXRRLYGNNUQSOI-NRFANRHFSA-N 1 0 424.549 1.688 50 0 HDAARO CCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000011874241 558292005 /nfs/dbraw/zinc/29/20/05/558292005.db2.gz HFRNYAMVRKIDDL-IBGZPJMESA-N 1 0 406.571 1.572 50 0 HDAARO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1cccc(OC)c1OC)CC2 ZINC000012034383 558311529 /nfs/dbraw/zinc/31/15/29/558311529.db2.gz ZPMMAGVXNQXIAW-OAHLLOKOSA-N 1 0 417.510 1.567 50 0 HDAARO CCN(CCn1cccn1)Cc1c(C(=O)N2CCC[N@H+](C)CC2)nc2sccn12 ZINC000020119125 558336757 /nfs/dbraw/zinc/33/67/57/558336757.db2.gz ABWHEJSBVKAJRG-UHFFFAOYSA-N 1 0 415.567 1.892 50 0 HDAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1cccc3cccnc31)CC2)[C@@H]1CCCO1 ZINC000020450760 558365524 /nfs/dbraw/zinc/36/55/24/558365524.db2.gz OKUZPZIWHHWHTQ-IBGZPJMESA-N 1 0 420.517 1.722 50 0 HDAARO CN1C(=O)N(C)C(=O)C2(Cc3ccccc3N3CC[N@H+](Cc4ccccc4)C[C@@H]32)C1=O ZINC000020533559 558384880 /nfs/dbraw/zinc/38/48/80/558384880.db2.gz NZCTWCOWHRQUSJ-HXUWFJFHSA-N 1 0 418.497 1.970 50 0 HDAARO CC(C)(C[NH2+]Cc1c(C(=O)N2CCOCC2)nc2ccccn21)N1CCOCC1 ZINC000020776420 558412232 /nfs/dbraw/zinc/41/22/32/558412232.db2.gz QGEMUJGHXJAEOG-UHFFFAOYSA-N 1 0 401.511 1.007 50 0 HDAARO COCC(=O)N1CCC(Oc2ccc(C(=O)NC[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000020863263 558417887 /nfs/dbraw/zinc/41/78/87/558417887.db2.gz DYVLHQFAZUZEES-QGZVFWFLSA-N 1 0 403.523 1.774 50 0 HDAARO COc1cc(CN(C)Cc2cnn(C)c2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012582774 558433148 /nfs/dbraw/zinc/43/31/48/558433148.db2.gz POISODKGWGPARE-LJQANCHMSA-N 1 0 420.579 1.849 50 0 HDAARO O=C(CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000021534813 558440907 /nfs/dbraw/zinc/44/09/07/558440907.db2.gz PWFSYEQBPJVHLN-KRWDZBQOSA-N 1 0 424.339 1.892 50 0 HDAARO COc1ccc([C@@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)[NH+]2CCCC2)cc1 ZINC000012792148 558466238 /nfs/dbraw/zinc/46/62/38/558466238.db2.gz MMFBEDWQOFWBNK-GOSISDBHSA-N 1 0 414.506 1.813 50 0 HDAARO COCCn1nc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)ccc1=O ZINC000022516049 558493885 /nfs/dbraw/zinc/49/38/85/558493885.db2.gz MZVBIUOZJRYAAI-IBGZPJMESA-N 1 0 400.479 1.465 50 0 HDAARO CC[NH+](CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccc(OC)cc1 ZINC000013494771 558534883 /nfs/dbraw/zinc/53/48/83/558534883.db2.gz CCMLKHXUPYOYLW-UHFFFAOYSA-N 1 0 414.510 1.428 50 0 HDAARO CC[NH+](CC)[C@H](CNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)Cc1ccccc1 ZINC000023197318 558542164 /nfs/dbraw/zinc/54/21/64/558542164.db2.gz UXMMDJGKYAJUKR-PGRDOPGGSA-N 1 0 400.523 1.776 50 0 HDAARO C[NH+](C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1Cc2ccccc2C1 ZINC000013734605 558587938 /nfs/dbraw/zinc/58/79/38/558587938.db2.gz NHTUZIWUBPISOZ-UHFFFAOYSA-N 1 0 408.502 1.590 50 0 HDAARO C[C@@H](CNC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1)[N@@H+]1CCc2ccccc2C1 ZINC000024624408 558605423 /nfs/dbraw/zinc/60/54/23/558605423.db2.gz SWZALRGSXPRCME-DLBZAZTESA-N 1 0 405.502 1.888 50 0 HDAARO Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014241081 558643902 /nfs/dbraw/zinc/64/39/02/558643902.db2.gz HHNYKFVPPIFECU-UHFFFAOYSA-N 1 0 415.542 1.407 50 0 HDAARO CSc1cccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CCCC[NH3+])C(=O)N3C2)c1 ZINC000014748544 558669950 /nfs/dbraw/zinc/66/99/50/558669950.db2.gz RQFVJPGAVMHPAX-BPUTZDHNSA-N 1 0 405.524 1.127 50 0 HDAARO CCc1c(C(=O)NCCN2CCOCC2)c(=O)cc(C)n1CC[NH+]1CCCCC1 ZINC000014881551 558676272 /nfs/dbraw/zinc/67/62/72/558676272.db2.gz KCSDGAYGEUWWOS-UHFFFAOYSA-N 1 0 404.555 1.267 50 0 HDAARO COc1cc(O)ccc1C[N@H+]1CCc2nnc([C@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000014885584 558677436 /nfs/dbraw/zinc/67/74/36/558677436.db2.gz KYCQEZSTDUCVIQ-GOSISDBHSA-N 1 0 423.539 1.297 50 0 HDAARO COc1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)NCCCO)nn3)C2)c(C)c1C ZINC000015070775 558712572 /nfs/dbraw/zinc/71/25/72/558712572.db2.gz ZCHOCPANCFSHGK-SFHVURJKSA-N 1 0 401.511 1.853 50 0 HDAARO COc1cc(CN2CCN(C(C)=O)CC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000015075447 558716143 /nfs/dbraw/zinc/71/61/43/558716143.db2.gz JLGHCESUHKFDHS-IBGZPJMESA-N 1 0 423.579 1.148 50 0 HDAARO Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[nH+]1 ZINC000033318437 558766371 /nfs/dbraw/zinc/76/63/71/558766371.db2.gz YORCKGKTSCOIOM-UHFFFAOYSA-N 1 0 421.498 1.272 50 0 HDAARO NC(=O)CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000016012441 558766678 /nfs/dbraw/zinc/76/66/78/558766678.db2.gz BGFHNBDEZXDKTG-TVZIFOOBSA-N 1 0 422.416 1.016 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@]21C(=O)Nc2c1ccc(C)c2C ZINC000016024565 558768672 /nfs/dbraw/zinc/76/86/72/558768672.db2.gz YFTBBHYIRIHMIZ-YJXLLHPSSA-N 1 0 417.531 1.423 50 0 HDAARO CCC[NH+]1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000016316395 558785942 /nfs/dbraw/zinc/78/59/42/558785942.db2.gz LCDQUJGNJMDNDJ-UHFFFAOYSA-N 1 0 412.581 1.432 50 0 HDAARO CC[NH+]1CCC(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000017089354 558818041 /nfs/dbraw/zinc/81/80/41/558818041.db2.gz ZIPVPDZXKVCQBJ-UHFFFAOYSA-N 1 0 412.581 1.478 50 0 HDAARO O=C1N(CC2CCCCC2)CCC[C@@]1(O)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000067967449 558862294 /nfs/dbraw/zinc/86/22/94/558862294.db2.gz HVWIOQLZYHXGRI-JOCHJYFZSA-N 1 0 401.555 1.923 50 0 HDAARO COCCNC(=O)NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019364465 558876527 /nfs/dbraw/zinc/87/65/27/558876527.db2.gz PIHCJMPLBGUWFN-UHFFFAOYSA-N 1 0 410.518 1.866 50 0 HDAARO CN1N=C(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)CCC1=O ZINC000055369510 558880360 /nfs/dbraw/zinc/88/03/60/558880360.db2.gz ZZUMLXNMTABWPN-GOSISDBHSA-N 1 0 401.486 1.547 50 0 HDAARO COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+]Cc1ccc(F)cc1 ZINC000058164896 558906649 /nfs/dbraw/zinc/90/66/49/558906649.db2.gz YKAIABWINYPZFC-UHFFFAOYSA-N 1 0 423.466 1.826 50 0 HDAARO CCn1cnnc1CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071762935 558910368 /nfs/dbraw/zinc/91/03/68/558910368.db2.gz AHZGIMWQLMFEIS-QGZVFWFLSA-N 1 0 402.543 1.369 50 0 HDAARO C[NH+]1CCN(CCCNC(=O)CC2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000033254505 558918421 /nfs/dbraw/zinc/91/84/21/558918421.db2.gz ILELAYGDKOXEQW-UHFFFAOYSA-N 1 0 422.595 1.231 50 0 HDAARO NC(=O)NCC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072132163 558928660 /nfs/dbraw/zinc/92/86/60/558928660.db2.gz QZTNSHMMUCXEDU-INIZCTEOSA-N 1 0 413.444 1.487 50 0 HDAARO COc1ccccc1N1C[C@@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1=O ZINC000060131189 558941307 /nfs/dbraw/zinc/94/13/07/558941307.db2.gz YTTLTCWCCFCJAO-SFHVURJKSA-N 1 0 423.517 1.511 50 0 HDAARO CC[NH+]1CCN(CC(=O)N2CCC(n3nccc3NC(=O)CC(C)C)CC2)CC1 ZINC000019595678 558946379 /nfs/dbraw/zinc/94/63/79/558946379.db2.gz ODNFENBDLXBHEQ-UHFFFAOYSA-N 1 0 404.559 1.669 50 0 HDAARO Cc1nc(N2CCOCC2)cc(NCCNS(=O)(=O)c2ccccc2Cl)[nH+]1 ZINC000065364595 558975793 /nfs/dbraw/zinc/97/57/93/558975793.db2.gz MORLPXWHLHOIOA-UHFFFAOYSA-N 1 0 411.915 1.665 50 0 HDAARO C[NH+]1CCN(c2ccc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1 ZINC000065365464 558976405 /nfs/dbraw/zinc/97/64/05/558976405.db2.gz LABRVEFUNSZIPT-UHFFFAOYSA-N 1 0 414.487 1.222 50 0 HDAARO O=C(Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)NCCC[NH+]1CCCC1 ZINC000021944376 558978372 /nfs/dbraw/zinc/97/83/72/558978372.db2.gz RBNZIKRACPPWSR-UHFFFAOYSA-N 1 0 420.513 1.814 50 0 HDAARO Cc1nc(C)c(C(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)s1 ZINC000072436863 558980274 /nfs/dbraw/zinc/98/02/74/558980274.db2.gz XFDYGENNXVLHNT-UHFFFAOYSA-N 1 0 402.524 1.657 50 0 HDAARO O=C(CN1C(=O)N[C@](Cc2ccccc2Cl)(C2CC[NH2+]CC2)C1=O)NC1CC1 ZINC000067757039 558992506 /nfs/dbraw/zinc/99/25/06/558992506.db2.gz FDPDWCRSQAFNPF-HXUWFJFHSA-N 1 0 404.898 1.451 50 0 HDAARO COc1ccc(S(=O)(=O)NC[C@H](c2cccnc2)N2CC[NH+](C)CC2)cc1C ZINC000022457204 558995310 /nfs/dbraw/zinc/99/53/10/558995310.db2.gz MVSPVDWUWXDTFD-LJQANCHMSA-N 1 0 404.536 1.666 50 0 HDAARO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000097163837 558998340 /nfs/dbraw/zinc/99/83/40/558998340.db2.gz XYKTYDRICCBPMZ-QWHCGFSZSA-N 1 0 407.458 1.925 50 0 HDAARO C[NH+](C)[C@@H]1CCN(CCCN2CC3(CCN(C(=O)c4ccc[nH]4)CC3)OC2=O)C1 ZINC000077319670 559001262 /nfs/dbraw/zinc/00/12/62/559001262.db2.gz JBFPUMSHOSNLFF-QGZVFWFLSA-N 1 0 403.527 1.468 50 0 HDAARO Cc1cn2cc(CNC(=O)c3ccc(C[N@@H+]4CCC[C@@](C)(O)C4)[nH]c3=O)nc2s1 ZINC000077354323 559002132 /nfs/dbraw/zinc/00/21/32/559002132.db2.gz MTJMYOYQSHCELI-HXUWFJFHSA-N 1 0 415.519 1.669 50 0 HDAARO CCCCN1CCN([C@H](C(=O)N2CCC[N@H+](CC)CC2)c2ccccc2)C(=O)C1=O ZINC000077393314 559003708 /nfs/dbraw/zinc/00/37/08/559003708.db2.gz NNBIBWFGFWXFBS-FQEVSTJZSA-N 1 0 414.550 1.753 50 0 HDAARO Cc1c[nH]c(C(=O)N2CCC3(CN(CCN4CC[C@@H]([NH+](C)C)C4)C(=O)O3)CC2)c1 ZINC000077487719 559007243 /nfs/dbraw/zinc/00/72/43/559007243.db2.gz HTHZJPJMBHAUPS-QGZVFWFLSA-N 1 0 403.527 1.386 50 0 HDAARO Cc1ncc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c(=O)[nH]1 ZINC000082096460 559037346 /nfs/dbraw/zinc/03/73/46/559037346.db2.gz GUGSNOZMZYUSPB-INIZCTEOSA-N 1 0 401.511 1.017 50 0 HDAARO NC(=O)C1(NC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CCCC1 ZINC000082096841 559037574 /nfs/dbraw/zinc/03/75/74/559037574.db2.gz GQNLZWCYSUEQCT-LJQANCHMSA-N 1 0 413.566 1.672 50 0 HDAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccc4c(c3)OCO4)CC2)C1)N1CCOCC1 ZINC000082121712 559039587 /nfs/dbraw/zinc/03/95/87/559039587.db2.gz YMWZJKIWAYSMKF-LJQANCHMSA-N 1 0 415.534 1.951 50 0 HDAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CCOCC3)CC2)C1 ZINC000082127258 559039914 /nfs/dbraw/zinc/03/99/14/559039914.db2.gz RKLQUHREELSHMW-LJQANCHMSA-N 1 0 414.550 1.827 50 0 HDAARO COCCn1c(=O)[nH]c2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)ccc2c1=O ZINC000004791953 559065912 /nfs/dbraw/zinc/06/59/12/559065912.db2.gz APKKWVSVMBVQIF-OAHLLOKOSA-N 1 0 402.495 1.331 50 0 HDAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCC(CO)CC1 ZINC000091626337 559072650 /nfs/dbraw/zinc/07/26/50/559072650.db2.gz LFMRRHOKSAYGKQ-NRFANRHFSA-N 1 0 400.567 1.989 50 0 HDAARO Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1C[C@H](CO)[C@H](C[N@H+](C)CCO)C1 ZINC000092019380 559075159 /nfs/dbraw/zinc/07/51/59/559075159.db2.gz MFWGEBAFKRDTJX-RTBURBONSA-N 1 0 400.523 1.023 50 0 HDAARO O=C(c1cncc(N2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)n1)N1CCCC1 ZINC000095368315 559080187 /nfs/dbraw/zinc/08/01/87/559080187.db2.gz AGCDJBPXWNGZSZ-MJGOQNOKSA-N 1 0 403.527 1.012 50 0 HDAARO CN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C(F)(F)F)n[nH]3)C[C@H]2CCCO)CC1 ZINC000095372105 559080418 /nfs/dbraw/zinc/08/04/18/559080418.db2.gz QKPJTIJRFZRPRA-HIFRSBDPSA-N 1 0 403.449 1.279 50 0 HDAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C[C@H](C)[NH+]1CCCC1)CC2 ZINC000095520282 559085100 /nfs/dbraw/zinc/08/51/00/559085100.db2.gz VYZPBGYAEJPFJT-INIZCTEOSA-N 1 0 403.527 1.133 50 0 HDAARO O=S(=O)(c1ccc(NCC2([NH+]3CCOCC3)CCCCC2)nc1)N1CCOCC1 ZINC000024002004 559187350 /nfs/dbraw/zinc/18/73/50/559187350.db2.gz YSWHEWVFAZJKGK-UHFFFAOYSA-N 1 0 424.567 1.550 50 0 HDAARO C[NH+](C)CCn1c2c(c(SCC(=O)Nc3ccc4c(c3)OCO4)nc1=O)CCC2 ZINC000004851663 559191292 /nfs/dbraw/zinc/19/12/92/559191292.db2.gz KCWHASFBWJDAME-UHFFFAOYSA-N 1 0 416.503 1.753 50 0 HDAARO CCN(C(=O)C[NH+]1CCCCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003538925 560596251 /nfs/dbraw/zinc/59/62/51/560596251.db2.gz URFBUCQWVNJEGR-UHFFFAOYSA-N 1 0 413.522 1.786 50 0 HDAARO CC1(C)CC(NC(=O)[C@H]2[C@H]3C(=O)N(Cc4ccco4)C[C@@]34C=C[C@@H]2O4)CC(C)(C)[NH2+]1 ZINC000006760409 560634746 /nfs/dbraw/zinc/63/47/46/560634746.db2.gz RKFITMNYIQHZHA-FXKZBUDASA-N 1 0 413.518 1.987 50 0 HDAARO CCOC(=O)[C@@H]1CCCN(c2c(=O)c(=O)c2NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000103657652 560843714 /nfs/dbraw/zinc/84/37/14/560843714.db2.gz IPPKHPDKOSWXBU-YESZJQIVSA-N 1 0 405.539 1.842 50 0 HDAARO COc1cc(C[NH2+]CCc2ccc(O)cc2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012072322 560888533 /nfs/dbraw/zinc/88/85/33/560888533.db2.gz JADBTMRSUPILAA-OAQYLSRUSA-N 1 0 416.518 1.805 50 0 HDAARO C[C@@H](C1CC1)[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 ZINC000031654069 568505218 /nfs/dbraw/zinc/50/52/18/568505218.db2.gz TUHSTPBPEUMTHD-HNNXBMFYSA-N 1 0 407.536 1.909 50 0 HDAARO COc1ccc(N(C[C@H](O)CN2CC[NH2+]CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000023118684 568507394 /nfs/dbraw/zinc/50/73/94/568507394.db2.gz YKTFGIWJWCVRQH-LJQANCHMSA-N 1 0 419.547 1.465 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)c2cc3c(c4ccccc4n(C)c3=O)n2C)CC1 ZINC000020286278 568596923 /nfs/dbraw/zinc/59/69/23/568596923.db2.gz KJAMDJDNKGOJHZ-UHFFFAOYSA-N 1 0 409.534 1.788 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCC4)CC1 ZINC000020489139 568614117 /nfs/dbraw/zinc/61/41/17/568614117.db2.gz MGGSCXVNKNPXQT-UHFFFAOYSA-N 1 0 417.579 1.860 50 0 HDAARO NC(=O)CC[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@@H]21 ZINC000020610935 568637154 /nfs/dbraw/zinc/63/71/54/568637154.db2.gz ZDQVXJATZQRIFX-FAODYONGSA-N 1 0 424.501 1.395 50 0 biogenic HDAARO COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2cccn2C)N2CC[NH+](C)CC2)c1 ZINC000021154812 568673428 /nfs/dbraw/zinc/67/34/28/568673428.db2.gz BQKFLASJTWZIOW-GOSISDBHSA-N 1 0 422.551 1.309 50 0 HDAARO COc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)N2CC[NH+](C)CC2)cc1OC ZINC000021154851 568673440 /nfs/dbraw/zinc/67/34/40/568673440.db2.gz FDIYVTVODMQONG-GOSISDBHSA-N 1 0 422.551 1.309 50 0 HDAARO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000095995459 568678527 /nfs/dbraw/zinc/67/85/27/568678527.db2.gz GJHZBCUSNSGMMW-SJORKVTESA-N 1 0 412.575 1.449 50 0 HDAARO COc1ccccc1CN1C(=O)N[C@@H](CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1=O ZINC000096231858 568707653 /nfs/dbraw/zinc/70/76/53/568707653.db2.gz MFPCGOFGCPLUKG-INIZCTEOSA-N 1 0 416.522 1.931 50 0 HDAARO COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CC[N@H+](C)C[C@H]43)C2=O)cc1 ZINC000229901184 568715815 /nfs/dbraw/zinc/71/58/15/568715815.db2.gz XGMSQGKASJXCND-CVDCTZTESA-N 1 0 420.469 1.641 50 0 HDAARO O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000504051111 568864750 /nfs/dbraw/zinc/86/47/50/568864750.db2.gz SYKNUZNEAKWIRA-UFYCRDLUSA-N 1 0 412.534 1.920 50 0 HDAARO Cc1noc(C)c1CC(=O)NC[C@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1 ZINC000299758876 568873215 /nfs/dbraw/zinc/87/32/15/568873215.db2.gz LGYUQKUAYWVGBY-SFHVURJKSA-N 1 0 404.511 1.194 50 0 HDAARO Cc1nc(CC(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cs1 ZINC000299760381 568873321 /nfs/dbraw/zinc/87/33/21/568873321.db2.gz QRZOKYHBDWKDFE-LJQANCHMSA-N 1 0 420.579 1.460 50 0 HDAARO Cc1ccc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c(=O)[nH]1 ZINC000299769054 568873908 /nfs/dbraw/zinc/87/39/08/568873908.db2.gz IPONFCZTWKASRG-GOSISDBHSA-N 1 0 416.522 1.175 50 0 HDAARO Cc1cc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cc(C)n1 ZINC000299775559 568874606 /nfs/dbraw/zinc/87/46/06/568874606.db2.gz DTKUJXPHTUKTQE-OAQYLSRUSA-N 1 0 414.550 1.778 50 0 HDAARO CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CC[NH+](C)CC1 ZINC000003310562 568878252 /nfs/dbraw/zinc/87/82/52/568878252.db2.gz RTOOYOJQUFWNMR-UHFFFAOYSA-N 1 0 415.943 1.527 50 0 HDAARO COC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000004063277 568881705 /nfs/dbraw/zinc/88/17/05/568881705.db2.gz RHLDYWVJWRBWJF-OALUTQOASA-N 1 0 403.523 1.499 50 0 biogenic HDAARO CCn1c2ccc(C(=O)NC[C@@H](c3ccc(OC)cc3)[NH+](C)C)cc2[nH]c(=O)c1=O ZINC000003334497 568882679 /nfs/dbraw/zinc/88/26/79/568882679.db2.gz PGQWGEGZNZEROE-IBGZPJMESA-N 1 0 410.474 1.751 50 0 HDAARO COc1cc(OC)cc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(CC[NH+]2CCCCC2)C3)c1 ZINC000004143816 568916130 /nfs/dbraw/zinc/91/61/30/568916130.db2.gz RBCLBTHTGDDKOZ-FQEVSTJZSA-N 1 0 414.506 1.982 50 0 HDAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc(I)cc2)n1 ZINC000003605745 568919487 /nfs/dbraw/zinc/91/94/87/568919487.db2.gz MGRXOZKYKOHTIG-UHFFFAOYSA-N 1 0 401.233 1.976 50 0 HDAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CNC(=O)Cn2ccc3ccccc3c2=O)C1 ZINC000004142250 568946400 /nfs/dbraw/zinc/94/64/00/568946400.db2.gz IVFASFAOFWYCHT-ROUUACIJSA-N 1 0 412.534 1.602 50 0 HDAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)cc1OC ZINC000015671226 568961652 /nfs/dbraw/zinc/96/16/52/568961652.db2.gz UBJPDTCWBYOAGE-UHFFFAOYSA-N 1 0 421.523 1.379 50 0 HDAARO NC(=O)CC[C@H]1[NH2+][C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000015957505 569024717 /nfs/dbraw/zinc/02/47/17/569024717.db2.gz ZDQVXJATZQRIFX-YQYRJILISA-N 1 0 424.501 1.395 50 0 biogenic HDAARO Cc1cn2c3c(nc2n1CCC[NH+](C)C)n(C)c(=O)n(Cc1ccc(F)cc1)c3=O ZINC000006665079 569086036 /nfs/dbraw/zinc/08/60/36/569086036.db2.gz VQPBXWDQOZIYQO-UHFFFAOYSA-N 1 0 412.469 1.597 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000006798642 569126532 /nfs/dbraw/zinc/12/65/32/569126532.db2.gz AFPGVYRIAKOOLS-HNNXBMFYSA-N 1 0 406.556 1.482 50 0 HDAARO COCCN(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)COC ZINC000036312096 569132673 /nfs/dbraw/zinc/13/26/73/569132673.db2.gz RBEIZESRNKUPLZ-UHFFFAOYSA-N 1 0 420.485 1.854 50 0 HDAARO CCN(CC)C(=O)c1cc(NS(=O)(=O)c2ccccc2)cnc1N1CC[NH2+]CC1 ZINC000065025147 569156180 /nfs/dbraw/zinc/15/61/80/569156180.db2.gz JZAHNVIKJHECCR-UHFFFAOYSA-N 1 0 417.535 1.774 50 0 HDAARO COc1ccc(S(=O)(=O)CCc2noc(C(=O)NCCC[NH+]3CCCC3)n2)cc1 ZINC000065117664 569180715 /nfs/dbraw/zinc/18/07/15/569180715.db2.gz FGPXIXFRKMPIRT-UHFFFAOYSA-N 1 0 422.507 1.310 50 0 HDAARO CCNc1cc(N2CCC[C@@H](CCC(=O)NCCN3CC[NH+](C)CC3)C2)ncn1 ZINC000065245129 569204813 /nfs/dbraw/zinc/20/48/13/569204813.db2.gz JHGLDSNHGGFEJG-SFHVURJKSA-N 1 0 403.575 1.269 50 0 HDAARO CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NC2CC[NH+](C)CC2)CC3)CC1 ZINC000065273393 569216185 /nfs/dbraw/zinc/21/61/85/569216185.db2.gz MCPFOIIGZYRYQI-HNNXBMFYSA-N 1 0 405.568 1.127 50 0 HDAARO C[NH+](C)Cc1ccccc1CNC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000007065705 569217235 /nfs/dbraw/zinc/21/72/35/569217235.db2.gz PUHUOQCLAGDSAI-UHFFFAOYSA-N 1 0 408.502 1.921 50 0 HDAARO C[C@H](C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1 ZINC000170601432 569243194 /nfs/dbraw/zinc/24/31/94/569243194.db2.gz MQMPZNSQYGDVHE-WZONZLPQSA-N 1 0 420.517 1.997 50 0 HDAARO O=C(CNC(=O)NCc1ccco1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000089834879 569266767 /nfs/dbraw/zinc/26/67/67/569266767.db2.gz FYBKNGSXCOCAOE-IEBWSBKVSA-N 1 0 400.479 1.078 50 0 HDAARO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)cc2)CC1 ZINC000089885203 569267692 /nfs/dbraw/zinc/26/76/92/569267692.db2.gz XRRNSRLMFSMLOH-UHFFFAOYSA-N 1 0 413.522 1.373 50 0 HDAARO Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[nH+]1 ZINC000017012743 569271498 /nfs/dbraw/zinc/27/14/98/569271498.db2.gz GAKOXMSJZCYCNN-UHFFFAOYSA-N 1 0 421.498 1.272 50 0 HDAARO COc1ccc(S(=O)(=O)N2CCN(c3nc(N(C)C)cc(C)[nH+]3)CC2)cc1OC ZINC000017012681 569271577 /nfs/dbraw/zinc/27/15/77/569271577.db2.gz AAASLCNSYXZCQB-UHFFFAOYSA-N 1 0 421.523 1.379 50 0 HDAARO CN(C)C(=O)c1cccc(CCNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)c1 ZINC000237072657 569281942 /nfs/dbraw/zinc/28/19/42/569281942.db2.gz ORTPLHILQNZNQL-QFIPXVFZSA-N 1 0 419.529 1.862 50 0 HDAARO CCN(C(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013057133 569408167 /nfs/dbraw/zinc/40/81/67/569408167.db2.gz ISEFWOKZPQQBFR-HZPDHXFCSA-N 1 0 413.522 1.498 50 0 HDAARO CCn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)cc(C3CC3)nc21 ZINC000078710767 569419788 /nfs/dbraw/zinc/41/97/88/569419788.db2.gz DBABXVMNJRCMMH-CQSZACIVSA-N 1 0 413.522 1.832 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)CN2C(=O)COc3ccc(C(C)(C)C)cc32)CC1 ZINC000019361368 569420420 /nfs/dbraw/zinc/42/04/20/569420420.db2.gz TUZMATDTODALQN-UHFFFAOYSA-N 1 0 416.566 1.853 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@H]1c1ccccc1OCC ZINC000067286837 571065100 /nfs/dbraw/zinc/06/51/00/571065100.db2.gz ONLWNBIOJYYUFM-IBGZPJMESA-N 1 0 402.495 1.504 50 0 HDAARO CC[NH+]1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C2=O ZINC000008769167 571116339 /nfs/dbraw/zinc/11/63/39/571116339.db2.gz UBUALBXYPZBCJJ-UHFFFAOYSA-N 1 0 414.384 1.930 50 0 HDAARO COCC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2C)C1 ZINC000069815224 571245549 /nfs/dbraw/zinc/24/55/49/571245549.db2.gz QNDALPRURNGTNL-HZPDHXFCSA-N 1 0 413.522 1.830 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncn2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000009727369 571282596 /nfs/dbraw/zinc/28/25/96/571282596.db2.gz UPGGNSMMMWOYFM-INIZCTEOSA-N 1 0 410.478 1.167 50 0 HDAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)CCn3cncn3)C2)cc1OC ZINC000012385866 1073543376 /nfs/dbraw/zinc/54/33/76/1073543376.db2.gz QHOJSDBOFSYERT-SFHVURJKSA-N 1 0 401.511 1.851 50 0 HDAARO C[NH+]1CCN(c2ccc(C(=O)NC34C[C@H]5C[C@@H](C3)CC(n3ncnn3)(C5)C4)cc2)CC1 ZINC000823792782 1076220011 /nfs/dbraw/zinc/22/00/11/1076220011.db2.gz VWFLZRYGSHCOHD-WVKNIADZSA-N 1 0 421.549 1.903 50 0 HDAARO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000008734783 132332652 /nfs/dbraw/zinc/33/26/52/132332652.db2.gz XLLGNFLIBBRIQO-QGZVFWFLSA-N 1 0 408.502 1.982 50 0 HDAARO O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NCCC[NH+]1CCCC1 ZINC000035375645 132801299 /nfs/dbraw/zinc/80/12/99/132801299.db2.gz AIUCTARAYORGHE-UHFFFAOYSA-N 1 0 424.549 1.172 50 0 HDAARO CC(C)OCCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccs1 ZINC000045944851 519762278 /nfs/dbraw/zinc/76/22/78/519762278.db2.gz QEIOKDBJKDLPII-UHFFFAOYSA-N 1 0 403.570 1.376 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(Cn2nc(-c3ccccc3)ccc2=O)no1 ZINC000040455197 521657778 /nfs/dbraw/zinc/65/77/78/521657778.db2.gz RMSJNADOPYVDHI-INIZCTEOSA-N 1 0 408.462 1.556 50 0 HDAARO COc1cc(C(=O)N2CCC(CC(=O)NCC[NH+](C)C)CC2)cc(OC)c1OC ZINC000032974250 522068612 /nfs/dbraw/zinc/06/86/12/522068612.db2.gz XOQLZJZTKPSYGI-UHFFFAOYSA-N 1 0 407.511 1.633 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@]21c2ccccc2NC1=O ZINC000020548510 523292083 /nfs/dbraw/zinc/29/20/83/523292083.db2.gz SUAAXFICVDZZOP-CMCWBKRRSA-N 1 0 419.481 1.686 50 0 HDAARO CCc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H]2CCCO2)cc1 ZINC000045944373 524011043 /nfs/dbraw/zinc/01/10/43/524011043.db2.gz USNOJGVHGNGSKD-SFHVURJKSA-N 1 0 409.552 1.241 50 0 HDAARO Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](O)C1 ZINC000020535810 527540162 /nfs/dbraw/zinc/54/01/62/527540162.db2.gz FJVMDICBBFFNPQ-FGZHOGPDSA-N 1 0 411.550 1.241 50 0 HDAARO COc1ccccc1N1C(=O)C[C@H](N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1=O ZINC000001481082 557270113 /nfs/dbraw/zinc/27/01/13/557270113.db2.gz DZKHHEZFBBZFNF-KRWDZBQOSA-N 1 0 414.506 1.133 50 0 HDAARO CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1ccco1 ZINC000002357386 557340173 /nfs/dbraw/zinc/34/01/73/557340173.db2.gz ZYZSZLFMTCDSCE-RTBURBONSA-N 1 0 410.474 1.804 50 0 HDAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCc1ccccc1F ZINC000008472254 557792278 /nfs/dbraw/zinc/79/22/78/557792278.db2.gz LDZXJUGHXSVAIR-UHFFFAOYSA-N 1 0 415.425 1.898 50 0 HDAARO Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022778609 557821456 /nfs/dbraw/zinc/82/14/56/557821456.db2.gz UTHSXNNFTAEHTO-NRFANRHFSA-N 1 0 412.509 1.855 50 0 HDAARO Cc1ccc([C@H](CNC(=O)C(=O)NCCc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022796615 557823227 /nfs/dbraw/zinc/82/32/27/557823227.db2.gz RBWJMKMFOFSLRB-QFIPXVFZSA-N 1 0 408.546 1.759 50 0 HDAARO Cc1cn2c(nc3c2c(=O)n(CCc2ccccc2)c(=O)n3C)n1CCC[NH+](C)C ZINC000011666726 558268945 /nfs/dbraw/zinc/26/89/45/558268945.db2.gz RHNHMNHJPVPCLI-UHFFFAOYSA-N 1 0 408.506 1.652 50 0 HDAARO COc1ccccc1CN1CCN(C(=O)C[C@H]2C(=O)NCC[N@@H+]2C2CCCC2)CC1 ZINC000011717529 558271692 /nfs/dbraw/zinc/27/16/92/558271692.db2.gz OGVJHOQNPVFUCE-FQEVSTJZSA-N 1 0 414.550 1.473 50 0 HDAARO CCn1ccnc1CN(C)Cc1cccc(OC[C@H](O)CN2CC[NH+](CC)CC2)c1 ZINC000019799752 558285221 /nfs/dbraw/zinc/28/52/21/558285221.db2.gz YSTNWFXCKMTFFJ-OAQYLSRUSA-N 1 0 415.582 1.912 50 0 HDAARO COC(=O)C1=C(O)NC(N2CCN(Cc3ccccc3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000019818010 558288099 /nfs/dbraw/zinc/28/80/99/558288099.db2.gz NSAZRCMDPIAHQB-UXHICEINSA-N 1 0 406.486 1.821 50 0 HDAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2)c1ccco1 ZINC000011872743 558290696 /nfs/dbraw/zinc/29/06/96/558290696.db2.gz OGFOXFVZUOHRFL-UHFFFAOYSA-N 1 0 409.446 1.631 50 0 HDAARO Cc1cc(C(F)(F)F)nc(CCNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C2CCCC2)n1 ZINC000011947734 558302490 /nfs/dbraw/zinc/30/24/90/558302490.db2.gz JJLIIDLDIDSEJP-AWEZNQCLSA-N 1 0 413.444 1.596 50 0 HDAARO COc1ccc(CN2CCCN(C=O)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012051258 558314114 /nfs/dbraw/zinc/31/41/14/558314114.db2.gz AWQYFUHXSSOWOY-FQEVSTJZSA-N 1 0 405.539 1.585 50 0 HDAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)[C@H](C)NC(C)=O ZINC000012051756 558314439 /nfs/dbraw/zinc/31/44/39/558314439.db2.gz ZAGAWLKVUZQUJT-KRWDZBQOSA-N 1 0 405.539 1.907 50 0 HDAARO COc1ccc(CN(C)Cc2nccs2)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000020452165 558366314 /nfs/dbraw/zinc/36/63/14/558366314.db2.gz AMACLFIJKFDWJZ-GOSISDBHSA-N 1 0 420.579 1.771 50 0 HDAARO O=C([C@@H]1CCC(=O)N(CCc2ccccn2)C1)N1CCC([NH+]2CCSCC2)CC1 ZINC000012320036 558382022 /nfs/dbraw/zinc/38/20/22/558382022.db2.gz NHSWPGVLVFNPQD-GOSISDBHSA-N 1 0 416.591 1.903 50 0 HDAARO COc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)cc1 ZINC000021795238 558449621 /nfs/dbraw/zinc/44/96/21/558449621.db2.gz HWULDNUSJZLUAP-UHFFFAOYSA-N 1 0 412.494 1.984 50 0 HDAARO CN1C(=O)N(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)C(=O)C12CCCCC2 ZINC000022324467 558478196 /nfs/dbraw/zinc/47/81/96/558478196.db2.gz JZGRPCAKLKMRBG-UHFFFAOYSA-N 1 0 414.510 1.369 50 0 HDAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2c(F)cccc2Cl)CC1 ZINC000004386768 558487478 /nfs/dbraw/zinc/48/74/78/558487478.db2.gz OJUIGFYQXMPKCM-UHFFFAOYSA-N 1 0 420.876 1.406 50 0 HDAARO COCCn1nc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)ccc1=O ZINC000022516044 558493932 /nfs/dbraw/zinc/49/39/32/558493932.db2.gz MZVBIUOZJRYAAI-LJQANCHMSA-N 1 0 400.479 1.465 50 0 HDAARO CC[NH+](CC)Cc1ccccc1CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000012984226 558494520 /nfs/dbraw/zinc/49/45/20/558494520.db2.gz WIZQMPMGDGNWQY-UHFFFAOYSA-N 1 0 402.520 1.642 50 0 HDAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000013573161 558542819 /nfs/dbraw/zinc/54/28/19/558542819.db2.gz USHOXFDLHHVRMJ-XZDOFFSESA-N 1 0 406.280 1.988 50 0 HDAARO CC[C@@]1(c2ccc(NC(=O)C(=O)NCC[NH+]3CCCCC3)cc2)CCC(=O)NC1=O ZINC000013691230 558573208 /nfs/dbraw/zinc/57/32/08/558573208.db2.gz CCCWPUYXOIAOKV-QFIPXVFZSA-N 1 0 414.506 1.312 50 0 HDAARO O=C(NCCN1CCOCC1)[C@H]1C[NH2+]C[C@@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014750140 558670554 /nfs/dbraw/zinc/67/05/54/558670554.db2.gz JLOUWYPZEPOMME-JKSUJKDBSA-N 1 0 415.456 1.758 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)CC1 ZINC000022937137 558678854 /nfs/dbraw/zinc/67/88/54/558678854.db2.gz TYUUAJZPYINAQC-UHFFFAOYSA-N 1 0 417.583 1.299 50 0 HDAARO CSCCC(=O)N1CCc2nnc([C@@H](CC(C)C)NC(=O)C[NH+](C)C)n2CC1 ZINC000014969947 558687016 /nfs/dbraw/zinc/68/70/16/558687016.db2.gz AZXAXBDQCOKRDO-OAHLLOKOSA-N 1 0 410.588 1.181 50 0 HDAARO CC1CC[NH+](CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000028067894 558690685 /nfs/dbraw/zinc/69/06/85/558690685.db2.gz GFYOELPJPBCKFN-UHFFFAOYSA-N 1 0 409.552 1.559 50 0 HDAARO CCOc1ccc(C[N@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000014991856 558694827 /nfs/dbraw/zinc/69/48/27/558694827.db2.gz ICWAUHMEWZXXHU-IBGZPJMESA-N 1 0 421.567 1.981 50 0 HDAARO Cc1ccc(CCC2CC[NH+](CC(=O)N3CCN(S(C)(=O)=O)CC3)CC2)cc1 ZINC000029168590 558711207 /nfs/dbraw/zinc/71/12/07/558711207.db2.gz XHWJESJMPKLTJM-UHFFFAOYSA-N 1 0 407.580 1.743 50 0 HDAARO O=C(NCCN1CCNC1=O)c1cccc(OC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000015072810 558713816 /nfs/dbraw/zinc/71/38/16/558713816.db2.gz QCKVFLFPDHAWPJ-UHFFFAOYSA-N 1 0 423.517 1.880 50 0 HDAARO O=C(CCCn1nnnc1CN1CCOCC1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000015077549 558717190 /nfs/dbraw/zinc/71/71/90/558717190.db2.gz SJUQCYWKJCUKSM-LJQANCHMSA-N 1 0 419.574 1.153 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)c2ccccc2NC(=O)C2=CSCCO2)CC1 ZINC000022937731 558726032 /nfs/dbraw/zinc/72/60/32/558726032.db2.gz LVXSDFOKYKHAGG-UHFFFAOYSA-N 1 0 418.563 1.987 50 0 HDAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CCN(S(=O)(=O)c3c[nH]cn3)CC2)C1 ZINC000020855900 558770556 /nfs/dbraw/zinc/77/05/56/558770556.db2.gz FMHYJIKDYDDDAO-HZPDHXFCSA-N 1 0 411.572 1.295 50 0 HDAARO CN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000039420492 558821180 /nfs/dbraw/zinc/82/11/80/558821180.db2.gz ZCXGXNKOTMKXCX-LJQANCHMSA-N 1 0 406.571 1.572 50 0 HDAARO COc1cccc(N2C(=O)C[C@H](N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)C2=O)c1 ZINC000018250513 558834769 /nfs/dbraw/zinc/83/47/69/558834769.db2.gz VTQWDUXFSVNYKY-SFHVURJKSA-N 1 0 414.506 1.133 50 0 HDAARO O=C(Cc1ccccc1)NCc1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000019229486 558853522 /nfs/dbraw/zinc/85/35/22/558853522.db2.gz OYHNBLKZNBRHQN-UHFFFAOYSA-N 1 0 419.485 1.924 50 0 HDAARO C[NH+]1CCN(CCNC(=O)CC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CC1 ZINC000033113850 558875666 /nfs/dbraw/zinc/87/56/66/558875666.db2.gz WTFSTLBFWBCSLF-UHFFFAOYSA-N 1 0 411.550 1.774 50 0 HDAARO COc1cccc(N2CCN([C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000058145957 558901904 /nfs/dbraw/zinc/90/19/04/558901904.db2.gz YSSPQZCQPLSQFC-OAHLLOKOSA-N 1 0 418.519 1.492 50 0 HDAARO CC(=O)c1ccc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)nc1 ZINC000071524167 558904575 /nfs/dbraw/zinc/90/45/75/558904575.db2.gz FDBQHGINAXKQND-IBGZPJMESA-N 1 0 400.523 1.824 50 0 HDAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cccnn3)CC2)C1 ZINC000071751210 558909075 /nfs/dbraw/zinc/90/90/75/558909075.db2.gz ISQRIFOEQVZOGX-SFHVURJKSA-N 1 0 408.506 1.505 50 0 HDAARO CCn1cnnc1CN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071762936 558910320 /nfs/dbraw/zinc/91/03/20/558910320.db2.gz AHZGIMWQLMFEIS-KRWDZBQOSA-N 1 0 402.543 1.369 50 0 HDAARO O=C(c1cnc[nH]c1=O)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072141595 558929194 /nfs/dbraw/zinc/92/91/94/558929194.db2.gz KHFATZPVHUGKNZ-KRWDZBQOSA-N 1 0 401.898 1.850 50 0 HDAARO COCc1ccc(C(=O)NCc2nnc3n2CC[N@@H+](Cc2cccc(C)n2)CC3)o1 ZINC000019636327 558947452 /nfs/dbraw/zinc/94/74/52/558947452.db2.gz HDCPSQCSSVQTIN-UHFFFAOYSA-N 1 0 410.478 1.709 50 0 HDAARO C[NH+]1CCN(CCNC(=O)CCc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033061731 558955450 /nfs/dbraw/zinc/95/54/50/558955450.db2.gz BIYZSSPWAFDOBM-UHFFFAOYSA-N 1 0 402.524 1.087 50 0 HDAARO Cn1c2ccccc2n(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(=O)c1=O ZINC000033068427 558961943 /nfs/dbraw/zinc/96/19/43/558961943.db2.gz NPIVHKAHXZLMBF-UHFFFAOYSA-N 1 0 406.486 1.481 50 0 HDAARO CCNc1nc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc(C)[nH+]1 ZINC000064800473 558966036 /nfs/dbraw/zinc/96/60/36/558966036.db2.gz PEXKUSVDTWOXIX-UHFFFAOYSA-N 1 0 418.523 1.686 50 0 HDAARO CCNc1cc(C)[nH+]c(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 ZINC000065364559 558975718 /nfs/dbraw/zinc/97/57/18/558975718.db2.gz NWURVDYEHXXPKZ-UHFFFAOYSA-N 1 0 419.507 1.499 50 0 HDAARO C[NH+]1CCC(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)CC1 ZINC000065365343 558976419 /nfs/dbraw/zinc/97/64/19/558976419.db2.gz GIIIXGKAYXYJNI-UHFFFAOYSA-N 1 0 404.330 1.426 50 0 HDAARO C[N@H+](CCCN1CC2(CCN(C(=O)CNC(N)=O)CC2)OC1=O)C1CCCCC1 ZINC000072421791 558978377 /nfs/dbraw/zinc/97/83/77/558978377.db2.gz ZUOBNQXYXHARBQ-UHFFFAOYSA-N 1 0 409.531 1.123 50 0 HDAARO Cn1ccnc1C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000097019038 558988075 /nfs/dbraw/zinc/98/80/75/558988075.db2.gz LKMCRJOXARDDRY-LBPRGKRZSA-N 1 0 409.284 1.987 50 0 HDAARO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000097163838 558998271 /nfs/dbraw/zinc/99/82/71/558998271.db2.gz XYKTYDRICCBPMZ-STQMWFEESA-N 1 0 407.458 1.925 50 0 HDAARO C[NH+](C)[C@@H]1CCN(CCCN2CC3(CCN(C(=O)c4ccncc4)CC3)OC2=O)C1 ZINC000077302281 559001013 /nfs/dbraw/zinc/00/10/13/559001013.db2.gz OADFNSAINVXFIS-LJQANCHMSA-N 1 0 415.538 1.535 50 0 HDAARO CC(C)C[N@H+](C)Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(=O)[nH]1 ZINC000077378690 559002857 /nfs/dbraw/zinc/00/28/57/559002857.db2.gz VSLZXZMBEOYOQF-UHFFFAOYSA-N 1 0 406.508 1.040 50 0 HDAARO C[NH+](C)[C@H]1CCCN(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)C1 ZINC000077387702 559003396 /nfs/dbraw/zinc/00/33/96/559003396.db2.gz VSWGECLGGLCGHV-KRWDZBQOSA-N 1 0 412.490 1.560 50 0 HDAARO CC[NH+]1CCN(CCN2CC3(CCN(C(=O)c4ccsc4)CC3)OC2=O)CC1 ZINC000077458558 559006011 /nfs/dbraw/zinc/00/60/11/559006011.db2.gz GXWFUAZQPZBFTF-UHFFFAOYSA-N 1 0 406.552 1.813 50 0 HDAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)OC1=O ZINC000077471914 559006748 /nfs/dbraw/zinc/00/67/48/559006748.db2.gz VEWXJURCJDTCGI-UHFFFAOYSA-N 1 0 415.494 1.568 50 0 HDAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)c3sc(C)nc3C)CC2)OC1=O ZINC000077523907 559008316 /nfs/dbraw/zinc/00/83/16/559008316.db2.gz ZRMWFFIZMHAAGZ-UHFFFAOYSA-N 1 0 410.540 1.765 50 0 HDAARO CC(C)OCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082109469 559038810 /nfs/dbraw/zinc/03/88/10/559038810.db2.gz QONMANOPVNMKIM-GOSISDBHSA-N 1 0 402.539 1.826 50 0 HDAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3cnccn3)CC2)C1 ZINC000082161520 559041718 /nfs/dbraw/zinc/04/17/18/559041718.db2.gz ORYZLAQIRPPUGQ-GOSISDBHSA-N 1 0 408.506 1.505 50 0 HDAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CCN3CCOCC3)C2)CC1 ZINC000095347273 559079554 /nfs/dbraw/zinc/07/95/54/559079554.db2.gz SPZVWSLNYPQQJF-FQEVSTJZSA-N 1 0 416.566 1.531 50 0 HDAARO O=C(NCC[NH+]1CCCCC1)c1cccc(S(=O)(=O)NCc2cccnc2)c1 ZINC000095373142 559080411 /nfs/dbraw/zinc/08/04/11/559080411.db2.gz CEAWUBYZJOWJPJ-UHFFFAOYSA-N 1 0 402.520 1.776 50 0 HDAARO CCCOc1ccc(N2C(=O)C[C@H](NCCC[NH+]3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000095482843 559081277 /nfs/dbraw/zinc/08/12/77/559081277.db2.gz GSPNRZLNIMOZGS-IBGZPJMESA-N 1 0 416.522 1.284 50 0 HDAARO COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)[NH+]1CCCCC1)CC2 ZINC000095500904 559082215 /nfs/dbraw/zinc/08/22/15/559082215.db2.gz CEDBGHKEAQOSIV-MRXNPFEDSA-N 1 0 403.527 1.133 50 0 HDAARO CC[NH+]1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3noc(C)n3)c2)CC1 ZINC000095512302 559084295 /nfs/dbraw/zinc/08/42/95/559084295.db2.gz MWUPQHUXRBVKFX-LJQANCHMSA-N 1 0 403.527 1.387 50 0 HDAARO CCOC(=O)C1=C(O)NC(N2CCN(CC)CC2)=[NH+][C@@H]1c1ccc(O)c(OCC)c1 ZINC000096300838 559108899 /nfs/dbraw/zinc/10/88/99/559108899.db2.gz NNGNSJNOYJBEIP-ZWKOTPCHSA-N 1 0 418.494 1.135 50 0 HDAARO CCCn1c(N2CC[NH+](CCCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000005147882 559252802 /nfs/dbraw/zinc/25/28/02/559252802.db2.gz HOSHSAWTFYQJJI-UHFFFAOYSA-N 1 0 410.522 1.588 50 0 HDAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)Cn1cnc2c1ncnc2OC ZINC000526052523 560640129 /nfs/dbraw/zinc/64/01/29/560640129.db2.gz LESKQOSFSJBVIL-IRXDYDNUSA-N 1 0 416.526 1.574 50 0 HDAARO Cc1c(C)n2c3c(nc2n1CC(C)C)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000016606597 560844333 /nfs/dbraw/zinc/84/43/33/560844333.db2.gz GLXMQKVFINRRHR-UHFFFAOYSA-N 1 0 400.527 1.908 50 0 HDAARO COCCN(C[C@H]1CN(C[C@H](O)COC(C)(C)C)CCO1)C(=O)c1ccccc1 ZINC000105022832 560860239 /nfs/dbraw/zinc/86/02/39/560860239.db2.gz NPXIEYJEFOLUPP-VQTJNVASSA-N 1 0 408.539 1.652 50 0 HDAARO C[NH+](C)C[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)[C@@H](O)c1ccccc1 ZINC000048081007 568432073 /nfs/dbraw/zinc/43/20/73/568432073.db2.gz NDGSBEUPJQPSIZ-NQIIRXRSSA-N 1 0 413.522 1.951 50 0 HDAARO COc1ccc(-c2n[nH]cc2C[NH2+]CCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000048249895 568433180 /nfs/dbraw/zinc/43/31/80/568433180.db2.gz AAMAERZKEZMSON-GASCZTMLSA-N 1 0 408.524 1.614 50 0 HDAARO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000048274276 568434129 /nfs/dbraw/zinc/43/41/29/568434129.db2.gz IXJUQKCQXXQDSM-MOPGFXCFSA-N 1 0 404.490 1.377 50 0 HDAARO CNC(=O)COc1ccc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)cc1OC ZINC000048277657 568435744 /nfs/dbraw/zinc/43/57/44/568435744.db2.gz SUBMDVPKMINZPQ-UHFFFAOYSA-N 1 0 421.519 1.029 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)c2cn(C)c(=O)c3c2c2ccccc2n3C)CC1 ZINC000020137375 568590170 /nfs/dbraw/zinc/59/01/70/568590170.db2.gz HEXCZSQSTLNQMY-UHFFFAOYSA-N 1 0 409.534 1.788 50 0 HDAARO C[N@H+](CCN1CCOCC1)C1CCN(C(=O)CNC(=O)/C=C/c2cccs2)CC1 ZINC000020241413 568595931 /nfs/dbraw/zinc/59/59/31/568595931.db2.gz ZLXBDFMZQDATEO-SNAWJCMRSA-N 1 0 420.579 1.133 50 0 HDAARO Cc1cc(S(N)(=O)=O)cc(NC(=O)CN(CC[NH+](C)C)c2ccccc2)c1C ZINC000095446711 568612083 /nfs/dbraw/zinc/61/20/83/568612083.db2.gz PRENKFSHUMZPMQ-UHFFFAOYSA-N 1 0 404.536 1.958 50 0 HDAARO COc1cc(-c2noc(CN3CCC(O)(C[NH+]4CCOCC4)CC3)n2)ccc1C ZINC000095459750 568619719 /nfs/dbraw/zinc/61/97/19/568619719.db2.gz VZKBNSFAMKMXAU-UHFFFAOYSA-N 1 0 402.495 1.713 50 0 HDAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)CC1 ZINC000021019291 568658191 /nfs/dbraw/zinc/65/81/91/568658191.db2.gz DFJNIYXXJDSPSJ-UHFFFAOYSA-N 1 0 418.563 1.987 50 0 HDAARO CCCC[N@H+](CC)CCNC(=O)[C@@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000021148465 568672021 /nfs/dbraw/zinc/67/20/21/568672021.db2.gz JRLKKIYUWWAELG-MRXNPFEDSA-N 1 0 420.583 1.914 50 0 HDAARO Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000021156641 568673908 /nfs/dbraw/zinc/67/39/08/568673908.db2.gz LAGDWRQPTNVMRZ-LJQANCHMSA-N 1 0 417.941 1.400 50 0 HDAARO C[NH+]1CCN(CCNC(=O)[C@@H]2CCc3sc(C(=O)N4CCCC4)cc3C2)CC1 ZINC000096398325 568746940 /nfs/dbraw/zinc/74/69/40/568746940.db2.gz RGEBVSFEAAKNMZ-MRXNPFEDSA-N 1 0 404.580 1.453 50 0 HDAARO CN(C)S(=O)(=O)c1ccc(C(=O)NCC2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000225571367 568774461 /nfs/dbraw/zinc/77/44/61/568774461.db2.gz FDNJNURUUKUWII-QGZVFWFLSA-N 1 0 411.593 1.884 50 0 HDAARO Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@H]2CCC[N@@H+](C3CCOCC3)C2)cc1 ZINC000670433752 568868731 /nfs/dbraw/zinc/86/87/31/568868731.db2.gz NTGWFRCWSKGJFL-SFHVURJKSA-N 1 0 423.579 1.671 50 0 HDAARO COc1ccc(C(=O)NC[C@@H]2CN(C3CC[NH+](C4CCC4)CC3)C(=O)CO2)cc1 ZINC000299763017 568873335 /nfs/dbraw/zinc/87/33/35/568873335.db2.gz XZBOJKORQNGPOO-HXUWFJFHSA-N 1 0 401.507 1.669 50 0 HDAARO Cc1cc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)ccc1O ZINC000299780656 568874967 /nfs/dbraw/zinc/87/49/67/568874967.db2.gz AXXHNAIILKTHAT-FQEVSTJZSA-N 1 0 415.534 1.780 50 0 HDAARO Cc1nc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c(C)s1 ZINC000299786018 568875294 /nfs/dbraw/zinc/87/52/94/568875294.db2.gz OZNIOGDGOQLSSK-GOSISDBHSA-N 1 0 420.579 1.839 50 0 HDAARO COc1ccc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cc1 ZINC000299792900 568876024 /nfs/dbraw/zinc/87/60/24/568876024.db2.gz HEGKXQRGNOBYFO-OAQYLSRUSA-N 1 0 415.534 1.774 50 0 HDAARO Cc1cc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cc(=O)[nH]1 ZINC000299798521 568876463 /nfs/dbraw/zinc/87/64/63/568876463.db2.gz SGHHEKSPUARJOU-IBGZPJMESA-N 1 0 416.522 1.175 50 0 HDAARO COc1cccc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c1 ZINC000299800936 568876654 /nfs/dbraw/zinc/87/66/54/568876654.db2.gz WJCXLGXUZDJHLG-NRFANRHFSA-N 1 0 415.534 1.774 50 0 HDAARO C[NH+]1CCC(CCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000058185702 568897945 /nfs/dbraw/zinc/89/79/45/568897945.db2.gz ZCKGVMFDGJSCDK-UHFFFAOYSA-N 1 0 415.581 1.481 50 0 HDAARO CC(C)CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)CC1 ZINC000001295114 568912784 /nfs/dbraw/zinc/91/27/84/568912784.db2.gz FAUUSMBDFLWWFI-UHFFFAOYSA-N 1 0 410.522 1.640 50 0 HDAARO CC[NH+](CC)CCN1CC2=C(C1=O)[C@H](c1cc(OC)cc(OC)c1)NC(=O)N2C ZINC000004145212 568916358 /nfs/dbraw/zinc/91/63/58/568916358.db2.gz UJICHHZSNWDGMO-IBGZPJMESA-N 1 0 402.495 1.838 50 0 HDAARO CCCC[NH+](CCCC)CCC(=O)NN1S(=O)(=O)c2ccccc2S1(=O)=O ZINC000003583948 568917335 /nfs/dbraw/zinc/91/73/35/568917335.db2.gz IOKUJTUYVUSKOK-UHFFFAOYSA-N 1 0 417.553 1.703 50 0 HDAARO O=C(C[C@H]1C(=O)NCCN1Cc1cccc2ccccc21)NCCN1CCOC1=O ZINC000012706571 568917412 /nfs/dbraw/zinc/91/74/12/568917412.db2.gz QLESOCFUWHZADI-IBGZPJMESA-N 1 0 410.474 1.099 50 0 HDAARO COCCCn1c(C)c(C)n2c1nc1c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n1C ZINC000004314338 568961535 /nfs/dbraw/zinc/96/15/35/568961535.db2.gz MGILRLSICVEJBE-UHFFFAOYSA-N 1 0 416.526 1.289 50 0 HDAARO CCCn1c(N2CC[NH+](Cc3cc(C)ccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004316402 568962185 /nfs/dbraw/zinc/96/21/85/568962185.db2.gz WYEUJKGWDWSWAU-UHFFFAOYSA-N 1 0 410.522 1.772 50 0 HDAARO COc1ccc([C@H](CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)[NH+](C)C)cc1 ZINC000007989412 568966323 /nfs/dbraw/zinc/96/63/23/568966323.db2.gz XZZIBMRJSGREIU-KRWDZBQOSA-N 1 0 402.495 1.669 50 0 HDAARO O=C(NCCC[NH+]1CCCC1)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000015786794 569007666 /nfs/dbraw/zinc/00/76/66/569007666.db2.gz OFZREKJYUFXIMH-UHFFFAOYSA-N 1 0 412.899 1.913 50 0 HDAARO C[C@@H]([NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc2c(c1)CCCC2 ZINC000012854024 569010812 /nfs/dbraw/zinc/01/08/12/569010812.db2.gz WNTPZYKQCVKEAJ-DYESRHJHSA-N 1 0 419.591 1.547 50 0 HDAARO C[C@@H]([NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc2c(c1)CCCC2 ZINC000012854035 569010815 /nfs/dbraw/zinc/01/08/15/569010815.db2.gz WNTPZYKQCVKEAJ-UTKZUKDTSA-N 1 0 419.591 1.547 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(=O)nc2sc(N3CCCCCC3)nn21 ZINC000015861446 569015574 /nfs/dbraw/zinc/01/55/74/569015574.db2.gz GDZKPHYIBLZKLN-AWEZNQCLSA-N 1 0 404.540 1.746 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(=O)nc2sc(N3CCC(C)CC3)nn21 ZINC000015861442 569015612 /nfs/dbraw/zinc/01/56/12/569015612.db2.gz GRYNMDQSHWEDNQ-AWEZNQCLSA-N 1 0 404.540 1.601 50 0 HDAARO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCCC3)C2)C1 ZINC000006266244 569036134 /nfs/dbraw/zinc/03/61/34/569036134.db2.gz AUHAVOPMYJBVFF-OTWHNJEPSA-N 1 0 414.616 1.523 50 0 HDAARO NS(=O)(=O)c1ccc(CC[NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000006530519 569063399 /nfs/dbraw/zinc/06/33/99/569063399.db2.gz OECPBOGBNGKJCX-UHFFFAOYSA-N 1 0 415.559 1.947 50 0 HDAARO Cc1nc2c(c(C)c1CCC(=O)NCC[NH+]1CCCCCC1)c(=O)n(C)c(=O)n2C ZINC000006772870 569118207 /nfs/dbraw/zinc/11/82/07/569118207.db2.gz PLONDVRCGDLIID-UHFFFAOYSA-N 1 0 415.538 1.174 50 0 HDAARO O=C(CCN1C(=O)COc2ccccc21)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000019359278 569120319 /nfs/dbraw/zinc/12/03/19/569120319.db2.gz CMZVGWNTIJNACK-UHFFFAOYSA-N 1 0 422.529 1.736 50 0 HDAARO CCS(=O)(=O)Nc1cnc(N2CC[NH2+]CC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000065025151 569156223 /nfs/dbraw/zinc/15/62/23/569156223.db2.gz KQTVTINFUSVDLL-UHFFFAOYSA-N 1 0 417.535 1.525 50 0 HDAARO CC1CCN(S(=O)(=O)c2ccc(-c3noc(C(=O)NCC[NH+](C)C)n3)cc2)CC1 ZINC000065319185 569221910 /nfs/dbraw/zinc/22/19/10/569221910.db2.gz XTGZJUKAXHURDW-UHFFFAOYSA-N 1 0 421.523 1.449 50 0 HDAARO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000065549764 569234839 /nfs/dbraw/zinc/23/48/39/569234839.db2.gz WXEUXHUPGQSLOO-ICSRJNTNSA-N 1 0 411.506 1.914 50 0 HDAARO CCn1c(=O)c2ccccc2n(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1=O ZINC000010218155 569253657 /nfs/dbraw/zinc/25/36/57/569253657.db2.gz OQVLPQCPRNPOBX-GOSISDBHSA-N 1 0 410.474 1.729 50 0 HDAARO COc1cccc(C(=O)N2CCN(c3nc(N4CCN(C)CC4)cc(C)[nH+]3)CC2)c1 ZINC000017012501 569271515 /nfs/dbraw/zinc/27/15/15/569271515.db2.gz PTOITAYTMHADAJ-UHFFFAOYSA-N 1 0 410.522 1.508 50 0 HDAARO COc1ccc(OC)c(S(=O)(=O)N2CCN(c3nc(N(C)C)cc(C)[nH+]3)CC2)c1 ZINC000017012667 569271584 /nfs/dbraw/zinc/27/15/84/569271584.db2.gz DPHPCTZPORGBRP-UHFFFAOYSA-N 1 0 421.523 1.379 50 0 HDAARO CCN(CC)C(=O)CN1CCN(CN2C(=O)N[C@@]3(C2=O)[C@H](C)CCC[C@@H]3C)CC1 ZINC000252444519 569286068 /nfs/dbraw/zinc/28/60/68/569286068.db2.gz RFFZUQCTJCKALN-LFUKPOHLSA-N 1 0 407.559 1.177 50 0 HDAARO CCc1ccccc1S(=O)(=O)N1CCCN([C@H]2CCN(CCOC)C2=O)CC1 ZINC000225328823 569389732 /nfs/dbraw/zinc/38/97/32/569389732.db2.gz NEKSPVRPOXDPNM-SFHVURJKSA-N 1 0 409.552 1.193 50 0 HDAARO COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]C2CCCCCC2)cc1 ZINC000013371750 569413076 /nfs/dbraw/zinc/41/30/76/569413076.db2.gz JQCGJLOLWVOOMP-ROUUACIJSA-N 1 0 401.550 1.947 50 0 HDAARO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000079023669 569424624 /nfs/dbraw/zinc/42/46/24/569424624.db2.gz OGLBCFPCZNGSGO-OAHLLOKOSA-N 1 0 417.535 1.413 50 0 HDAARO COC(=O)CNC(=O)Cc1ccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)cc1 ZINC000079052590 569425716 /nfs/dbraw/zinc/42/57/16/569425716.db2.gz FWGHAVQVCUWPTN-UHFFFAOYSA-N 1 0 404.511 1.856 50 0 HDAARO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000079066763 569426569 /nfs/dbraw/zinc/42/65/69/569426569.db2.gz LJVBCERZVHTEPW-IFMALSPDSA-N 1 0 413.518 1.827 50 0 HDAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000067287127 571064923 /nfs/dbraw/zinc/06/49/23/571064923.db2.gz DQFMPJKOAPYFDO-LJQANCHMSA-N 1 0 402.495 1.504 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286958 571065159 /nfs/dbraw/zinc/06/51/59/571065159.db2.gz OIQDJTGWABPUML-SFHVURJKSA-N 1 0 404.536 1.827 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000067287690 571065771 /nfs/dbraw/zinc/06/57/71/571065771.db2.gz CNGOSRARIPZKNX-IBGZPJMESA-N 1 0 402.495 1.504 50 0 HDAARO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)CC2)cc1 ZINC000040086985 571157630 /nfs/dbraw/zinc/15/76/30/571157630.db2.gz UHQXXDJQEBUSNX-LJQANCHMSA-N 1 0 409.552 1.544 50 0 HDAARO Cn1c2nc3n(c2c(=O)n(CC[NH+]2CCCCC2)c1=O)CCCN3C1CCCCC1 ZINC000009156880 571231931 /nfs/dbraw/zinc/23/19/31/571231931.db2.gz KRBMDSVXIFHFCO-UHFFFAOYSA-N 1 0 414.554 1.925 50 0 HDAARO CCN1c2ccc(Br)cc2[C@@H](NC(=O)C(=O)NCCC[NH+](C)C)C1=O ZINC000009306745 571246716 /nfs/dbraw/zinc/24/67/16/571246716.db2.gz YFHULIDSCDRLGT-CQSZACIVSA-N 1 0 411.300 1.041 50 0 HDAARO Cn1c(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)C3CC3)CC2)cc(=O)n(C)c1=O ZINC000069951343 571251077 /nfs/dbraw/zinc/25/10/77/571251077.db2.gz BCQWJBHSRCDTDX-IBGZPJMESA-N 1 0 402.539 1.477 50 0 HDAARO CS(=O)(=O)N1CCN(C(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000010225294 571297388 /nfs/dbraw/zinc/29/73/88/571297388.db2.gz WPAOOPCCKGRIOD-UHFFFAOYSA-N 1 0 404.536 1.451 50 0 HDAARO O=C(C[C@H]1C(=O)NCCN1Cc1cccnc1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000012387740 1073549187 /nfs/dbraw/zinc/54/91/87/1073549187.db2.gz KBCTZVLAUVPAMM-NRFANRHFSA-N 1 0 413.566 1.639 50 0 HDAARO O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000012438966 1073962408 /nfs/dbraw/zinc/96/24/08/1073962408.db2.gz KIAOWDLWCWWRDH-HXUWFJFHSA-N 1 0 402.514 1.603 50 0 HDAARO Cc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CC[NH+](C)CC4)nn3)CC2)cc1 ZINC000010221062 132244854 /nfs/dbraw/zinc/24/48/54/132244854.db2.gz RYUUGNWBRWIDFC-UHFFFAOYSA-N 1 0 416.551 1.048 50 0 HDAARO O=C(CN1C(=O)COc2ccc(C(=O)N3CCCC3)cc21)NCCC[NH+]1CCCC1 ZINC000035376833 132801330 /nfs/dbraw/zinc/80/13/30/132801330.db2.gz NJPUDRLGLNEQKN-UHFFFAOYSA-N 1 0 414.506 1.250 50 0 HDAARO CCOC(=O)N1CCN(Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)CC1 ZINC000020540229 520955854 /nfs/dbraw/zinc/95/58/54/520955854.db2.gz AKJQJGOVRVTROE-IBGZPJMESA-N 1 0 423.579 1.749 50 0 HDAARO CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCCC2)cc1 ZINC000045944121 521190223 /nfs/dbraw/zinc/19/02/23/521190223.db2.gz AFAHNABEDZIDTL-UHFFFAOYSA-N 1 0 409.552 1.841 50 0 HDAARO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)CC1 ZINC000032594180 521694106 /nfs/dbraw/zinc/69/41/06/521694106.db2.gz RGAUIZHBNBNMLP-OAHLLOKOSA-N 1 0 400.479 1.869 50 0 HDAARO COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022766226 524045035 /nfs/dbraw/zinc/04/50/35/524045035.db2.gz XRIPBCQKWUNKFW-IBGZPJMESA-N 1 0 416.547 1.478 50 0 HDAARO C[C@H]1Oc2ccccc2N(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1=O ZINC000032868924 525065647 /nfs/dbraw/zinc/06/56/47/525065647.db2.gz MOHSJYXXPCSERJ-QGZVFWFLSA-N 1 0 401.507 1.952 50 0 HDAARO COc1cccc(-n2cc(C(=O)NCCN3CC[NH+](C)CC3)c3ccccc3c2=O)c1 ZINC000020509082 525751179 /nfs/dbraw/zinc/75/11/79/525751179.db2.gz VWYXAIINZFTRRW-UHFFFAOYSA-N 1 0 420.513 1.977 50 0 HDAARO CCCOc1ccc(N2C(=O)C[C@@H](NCCC[NH+]3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000004176776 557524859 /nfs/dbraw/zinc/52/48/59/557524859.db2.gz GSPNRZLNIMOZGS-LJQANCHMSA-N 1 0 416.522 1.284 50 0 HDAARO O=C(CCNC(=O)c1ccc(F)c(F)c1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008738395 557803267 /nfs/dbraw/zinc/80/32/67/557803267.db2.gz PBEMKVYGCZCJIE-UHFFFAOYSA-N 1 0 403.433 1.471 50 0 HDAARO C[C@@H](NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008744222 557804292 /nfs/dbraw/zinc/80/42/92/557804292.db2.gz YBJCGHBXEDJUGC-GFCCVEGCSA-N 1 0 403.433 1.470 50 0 HDAARO COc1ccc([C@H](CNS(=O)(=O)c2ccc(OC)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022795030 557822298 /nfs/dbraw/zinc/82/22/98/557822298.db2.gz KWEDHJVPFCRMLZ-NRFANRHFSA-N 1 0 419.547 1.971 50 0 HDAARO Cc1ccc([C@@H](CNC(=O)C(=O)NCc2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000022796549 557823249 /nfs/dbraw/zinc/82/32/49/557823249.db2.gz OUVKWHPUBODUTR-LJQANCHMSA-N 1 0 400.548 1.778 50 0 HDAARO COc1cccc(CNC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)c1 ZINC000022796586 557823308 /nfs/dbraw/zinc/82/33/08/557823308.db2.gz MHHWBBCZSTZRTN-QFIPXVFZSA-N 1 0 424.545 1.725 50 0 HDAARO COc1ccccc1C[N@H+]1CCc2nnc([C@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000012030821 558311141 /nfs/dbraw/zinc/31/11/41/558311141.db2.gz FOALPLMHTGOCPC-GOSISDBHSA-N 1 0 407.540 1.591 50 0 HDAARO COc1cc(C[NH2+]CCOc2ccccc2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012076764 558320169 /nfs/dbraw/zinc/32/01/69/558320169.db2.gz VBMYEWAETJRGPP-FQEVSTJZSA-N 1 0 416.518 1.936 50 0 HDAARO CCn1c(N2CC[NH+](Cc3cccc4ccccc43)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000020052260 558328637 /nfs/dbraw/zinc/32/86/37/558328637.db2.gz SBDBTHGUNAWJEP-UHFFFAOYSA-N 1 0 418.501 1.919 50 0 HDAARO COc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1C ZINC000020777101 558412111 /nfs/dbraw/zinc/41/21/11/558412111.db2.gz NQLGDLHOWOGHEN-UHFFFAOYSA-N 1 0 406.490 1.978 50 0 HDAARO C(C1CCN(c2nc3nonc3nc2N2CCSCC2)CC1)[NH+]1CCOCC1 ZINC000020877735 558419258 /nfs/dbraw/zinc/41/92/58/558419258.db2.gz VVFUKNJIAAMNSF-UHFFFAOYSA-N 1 0 405.528 1.115 50 0 HDAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc3c(c1)CCO3)CC2)[C@@H]1CCCO1 ZINC000020912950 558422437 /nfs/dbraw/zinc/42/24/37/558422437.db2.gz XWWMCWPUAMWGKG-IBGZPJMESA-N 1 0 411.506 1.109 50 0 HDAARO COc1ccc(OC)c(CN2CC[C@@H]([NH+]3CCN(c4ccccn4)CC3)[C@H](O)C2)c1 ZINC000012595206 558437440 /nfs/dbraw/zinc/43/74/40/558437440.db2.gz SRYKMXGLFFXZSQ-NHCUHLMSSA-N 1 0 412.534 1.856 50 0 HDAARO COc1cc(OC)nc(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)n1 ZINC000022835269 558515841 /nfs/dbraw/zinc/51/58/41/558515841.db2.gz UJBXJQYDIZDJRH-UHFFFAOYSA-N 1 0 413.478 1.185 50 0 HDAARO CCCCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000022924079 558522803 /nfs/dbraw/zinc/52/28/03/558522803.db2.gz ZJUDQCFLDHCGSE-UHFFFAOYSA-N 1 0 424.549 1.552 50 0 HDAARO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3Sc4ccccc4NC3=O)cn2)CC1 ZINC000023318698 558549130 /nfs/dbraw/zinc/54/91/30/558549130.db2.gz QKSGTESHCVMXGQ-GOSISDBHSA-N 1 0 411.531 1.953 50 0 HDAARO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccccc1C(=O)NCc1ccccn1 ZINC000013722711 558582785 /nfs/dbraw/zinc/58/27/85/558582785.db2.gz BBNWPKYDIHVGFU-UHFFFAOYSA-N 1 0 409.490 1.552 50 0 HDAARO COc1ccc2c(c1)c(C[NH+]1CCC(C(=O)NCCN3CCOCC3)CC1)cn2C ZINC000065060032 558599010 /nfs/dbraw/zinc/59/90/10/558599010.db2.gz HMLWOIVUIRFYFF-UHFFFAOYSA-N 1 0 414.550 1.847 50 0 HDAARO COc1ccccc1COC[C@H](O)C[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000025307612 558637258 /nfs/dbraw/zinc/63/72/58/558637258.db2.gz WAVPCOUCKCIAJU-QGZVFWFLSA-N 1 0 412.494 1.072 50 0 HDAARO Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@H]([N@@H+]1CCCN(C=O)CC1)C2 ZINC000014533305 558656792 /nfs/dbraw/zinc/65/67/92/558656792.db2.gz XPOCOVYYVPKFFA-SFHVURJKSA-N 1 0 413.497 1.511 50 0 HDAARO Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(F)cc1)C2 ZINC000014747806 558669766 /nfs/dbraw/zinc/66/97/66/558669766.db2.gz OEWYYMWYIODYHO-GOSISDBHSA-N 1 0 415.513 1.268 50 0 HDAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+]([C@H]1CCSC1)CC2 ZINC000014752110 558671121 /nfs/dbraw/zinc/67/11/21/558671121.db2.gz SLOCZJPGYYUWNA-KRWDZBQOSA-N 1 0 404.536 1.832 50 0 HDAARO Cc1ccc(N2C(=O)N(CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C(=O)[C@H]2C)cc1 ZINC000028016093 558689568 /nfs/dbraw/zinc/68/95/68/558689568.db2.gz AWBDIAQDNFQWSG-IEBWSBKVSA-N 1 0 416.522 1.625 50 0 HDAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1cc3ccccc3o1)CC2)[C@@H]1CCCO1 ZINC000014993038 558694969 /nfs/dbraw/zinc/69/49/69/558694969.db2.gz LJSYKVGLNGICRE-IBGZPJMESA-N 1 0 409.490 1.920 50 0 HDAARO COC(=O)[C@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@H+](CC(C)C)CC2 ZINC000015003158 558698384 /nfs/dbraw/zinc/69/83/84/558698384.db2.gz CJZOOYHTEHGWIE-QGZVFWFLSA-N 1 0 419.522 1.539 50 0 HDAARO O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)N1CC[NH+](CC2CC2)CC1 ZINC000015067293 558710111 /nfs/dbraw/zinc/71/01/11/558710111.db2.gz DPKOCNSQEQNJOY-IBGZPJMESA-N 1 0 406.477 1.210 50 0 HDAARO COCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Br)cc1 ZINC000035421947 558791435 /nfs/dbraw/zinc/79/14/35/558791435.db2.gz XBIKWKXEUBZFMY-UHFFFAOYSA-N 1 0 412.328 1.750 50 0 HDAARO Cc1ccnc(N2CCC[C@H](C(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)C2)n1 ZINC000035454355 558792044 /nfs/dbraw/zinc/79/20/44/558792044.db2.gz BSZJRNVCAMVXRW-SFHVURJKSA-N 1 0 414.554 1.334 50 0 HDAARO CC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCC[NH+]3CCCC3)ccc21 ZINC000033023975 558841063 /nfs/dbraw/zinc/84/10/63/558841063.db2.gz VJBIHHPBMNUWEE-UHFFFAOYSA-N 1 0 422.555 1.235 50 0 HDAARO O=C(CN1C(=O)CSC1=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055576186 558883215 /nfs/dbraw/zinc/88/32/15/558883215.db2.gz OYJXUBFTBXOZOS-QGZVFWFLSA-N 1 0 402.520 1.495 50 0 HDAARO CCCN1CCN(C(=O)c2sc3ncnc(N4CC[NH+](C)CC4)c3c2C)CC1 ZINC000033048217 558884699 /nfs/dbraw/zinc/88/46/99/558884699.db2.gz YDFYPXJXELZAIG-UHFFFAOYSA-N 1 0 402.568 1.919 50 0 HDAARO O=C(NCC[NH+]1CCCC1)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl ZINC000033131485 558887923 /nfs/dbraw/zinc/88/79/23/558887923.db2.gz YYDBHVVSMONYQK-UHFFFAOYSA-N 1 0 417.984 1.903 50 0 HDAARO O=C(COc1cccnc1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071613697 558905899 /nfs/dbraw/zinc/90/58/99/558905899.db2.gz PYYCUHDYWHRSDE-SFHVURJKSA-N 1 0 400.523 1.786 50 0 HDAARO CN1C(=O)c2ccc(NC(=O)NCc3ccc(N4CCC[N@H+](C)CC4)nc3)cc2C1=O ZINC000058168176 558907602 /nfs/dbraw/zinc/90/76/02/558907602.db2.gz GISNHQBJEDWOBH-UHFFFAOYSA-N 1 0 422.489 1.771 50 0 HDAARO CCn1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cc1=O ZINC000071746408 558908236 /nfs/dbraw/zinc/90/82/36/558908236.db2.gz ZYEDZWDFIXEROU-IBGZPJMESA-N 1 0 414.550 1.807 50 0 HDAARO O=C(c1cccc(O)c1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071746575 558908471 /nfs/dbraw/zinc/90/84/71/558908471.db2.gz OTULCGOWLGQGKL-GOSISDBHSA-N 1 0 401.507 1.568 50 0 HDAARO CCCc1cncnc1N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071751313 558909079 /nfs/dbraw/zinc/90/90/79/558909079.db2.gz VYRCMHFPQWAGFQ-LJQANCHMSA-N 1 0 401.555 1.969 50 0 HDAARO O=C(C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1)c1ccco1 ZINC000071755391 558909517 /nfs/dbraw/zinc/90/95/17/558909517.db2.gz XXDIDSHXUCUPPO-MRXNPFEDSA-N 1 0 403.479 1.024 50 0 HDAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(c3ncnc4nc[nH]c43)CC2)C1 ZINC000071760018 558910099 /nfs/dbraw/zinc/91/00/99/558910099.db2.gz YSJGQTMUJMOQEV-MRXNPFEDSA-N 1 0 420.521 1.745 50 0 HDAARO CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)c4cscn4)CC3)C2)CC1 ZINC000071760934 558910113 /nfs/dbraw/zinc/91/01/13/558910113.db2.gz OCAPBKHWXBUIFX-INIZCTEOSA-N 1 0 405.568 1.234 50 0 HDAARO Cn1ccn2ncc(C(=O)N3CCC([N@@H+]4CCC[C@H](C(=O)N5CCCC5)C4)CC3)c12 ZINC000071763779 558910360 /nfs/dbraw/zinc/91/03/60/558910360.db2.gz AXODPGPXIZZRGO-KRWDZBQOSA-N 1 0 412.538 1.612 50 0 HDAARO CCNc1ncc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000071771002 558911256 /nfs/dbraw/zinc/91/12/56/558911256.db2.gz SCRYWJSVTSKYLD-OAHLLOKOSA-N 1 0 400.527 1.504 50 0 HDAARO Cc1cc(C)c(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)c(C)c1 ZINC000065364367 558975601 /nfs/dbraw/zinc/97/56/01/558975601.db2.gz VWVKXMHLKJMHKU-UHFFFAOYSA-N 1 0 419.551 1.937 50 0 HDAARO COc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c1 ZINC000065364540 558975803 /nfs/dbraw/zinc/97/58/03/558975803.db2.gz VJOMZDGDAKDOEF-UHFFFAOYSA-N 1 0 417.535 1.905 50 0 HDAARO COc1ccc(N([C@@H](C)C(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)cc1Cl ZINC000065365036 558976132 /nfs/dbraw/zinc/97/61/32/558976132.db2.gz IXFXCHCGMRYINI-LBPRGKRZSA-N 1 0 403.932 1.714 50 0 HDAARO Cc1sc2nc(CC[NH3+])nc(N3CCN(c4ncccc4C(N)=O)CC3)c2c1C ZINC000065406330 558977411 /nfs/dbraw/zinc/97/74/11/558977411.db2.gz GLYNGAXWMUHBHX-UHFFFAOYSA-N 1 0 411.535 1.630 50 0 HDAARO CCC[NH+]1CCN(C(=O)Cn2c3ccccc3n(Cc3ccccc3)c(=O)c2=O)CC1 ZINC000021944249 558978388 /nfs/dbraw/zinc/97/83/88/558978388.db2.gz URQYBCLNDYKLSD-UHFFFAOYSA-N 1 0 420.513 1.766 50 0 HDAARO CC(C)C[N@H+](C)CCCN1CC2(CCN(C(=O)c3c[nH]c(=O)cn3)CC2)OC1=O ZINC000072479781 558984018 /nfs/dbraw/zinc/98/40/18/558984018.db2.gz OUTZTDLEXUFASW-UHFFFAOYSA-N 1 0 405.499 1.175 50 0 HDAARO Cc1nc(N2CCOCC2)cc(NCCNC(=O)c2ccc(Br)o2)[nH+]1 ZINC000067621120 558989732 /nfs/dbraw/zinc/98/97/32/558989732.db2.gz IZJADCOJPXKDNU-UHFFFAOYSA-N 1 0 410.272 1.819 50 0 HDAARO CC[NH+]1CCN([C@H](CNS(=O)(=O)c2ccc(OC)cc2)c2cccnc2)CC1 ZINC000022457254 558995322 /nfs/dbraw/zinc/99/53/22/558995322.db2.gz DDUMFVXYKJZFQN-HXUWFJFHSA-N 1 0 404.536 1.747 50 0 HDAARO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2ccccn2)CC3)C1 ZINC000077298440 559000712 /nfs/dbraw/zinc/00/07/12/559000712.db2.gz LBZVNAWKSSEUHN-GOSISDBHSA-N 1 0 414.531 1.605 50 0 HDAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)c3ccc(F)cc3F)CC2)OC1=O ZINC000077427511 559004910 /nfs/dbraw/zinc/00/49/10/559004910.db2.gz JCLACCZNZPLBQX-UHFFFAOYSA-N 1 0 411.449 1.970 50 0 HDAARO Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CCC[N@@H+](C)CC3)[C@@H]4C2=O)cc1C ZINC000077518310 559008031 /nfs/dbraw/zinc/00/80/31/559008031.db2.gz REVWQCQJVKMNKM-JCUDRXCFSA-N 1 0 409.530 1.750 50 0 HDAARO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2ccncc2)CC3)C1 ZINC000077556507 559009335 /nfs/dbraw/zinc/00/93/35/559009335.db2.gz ZGKCCIVXJOXCCV-LJQANCHMSA-N 1 0 414.531 1.605 50 0 HDAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)[nH]n1 ZINC000082087607 559036813 /nfs/dbraw/zinc/03/68/13/559036813.db2.gz YSIBXBIYIVCRQW-KRWDZBQOSA-N 1 0 410.522 1.746 50 0 HDAARO CNc1ccnc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000082126827 559039837 /nfs/dbraw/zinc/03/98/37/559039837.db2.gz PAWBQPZVXRVLOR-GOSISDBHSA-N 1 0 409.538 1.911 50 0 HDAARO CN(C)C(=O)CN1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082138874 559040647 /nfs/dbraw/zinc/04/06/47/559040647.db2.gz AXTGCYBPFIRINQ-FQEVSTJZSA-N 1 0 400.567 1.610 50 0 HDAARO O=C(Cn1ccnc1)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082156228 559041410 /nfs/dbraw/zinc/04/14/10/559041410.db2.gz QLVGFZSQUVXSFT-SFHVURJKSA-N 1 0 410.522 1.298 50 0 HDAARO Cc1ccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)c(C)c1 ZINC000082230206 559042501 /nfs/dbraw/zinc/04/25/01/559042501.db2.gz QIJVUDPIRXCQAF-UHFFFAOYSA-N 1 0 405.524 1.629 50 0 HDAARO Cc1cc(C(=O)N2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc(=O)[nH]1 ZINC000095510582 559083805 /nfs/dbraw/zinc/08/38/05/559083805.db2.gz SRGKNDYKPHRZAJ-QGZVFWFLSA-N 1 0 402.539 1.868 50 0 HDAARO O=C(Nc1ccc(F)cc1)N1CCC(Cn2cc(CN3CC[NH2+]CC3)nn2)CC1 ZINC000023505075 559176527 /nfs/dbraw/zinc/17/65/27/559176527.db2.gz KVVNOJYVKFLIDJ-UHFFFAOYSA-N 1 0 401.490 1.767 50 0 HDAARO CCn1cc(C(=O)NCC[NH+](CC)CC)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000005042391 559235917 /nfs/dbraw/zinc/23/59/17/559235917.db2.gz KHNRFUKVSKGILW-UHFFFAOYSA-N 1 0 422.551 1.343 50 0 aggregator HDAARO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000005149038 559253179 /nfs/dbraw/zinc/25/31/79/559253179.db2.gz QJGGHCHZDNVFKJ-HNNXBMFYSA-N 1 0 406.556 1.524 50 0 HDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000005149107 559253210 /nfs/dbraw/zinc/25/32/10/559253210.db2.gz WBTQCHLHWMXQJH-HUUCEWRRSA-N 1 0 404.540 1.276 50 0 HDAARO CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2cccn2C)[NH+]2CCCC2)cc1 ZINC000011845718 559261796 /nfs/dbraw/zinc/26/17/96/559261796.db2.gz RXJJUMDPWDAKLI-LJQANCHMSA-N 1 0 404.536 1.842 50 0 HDAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000005346192 560570255 /nfs/dbraw/zinc/57/02/55/560570255.db2.gz USHOXFDLHHVRMJ-CFDQXOQFSA-N 1 0 406.280 1.988 50 0 HDAARO C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)c1cccs1 ZINC000062581204 560631752 /nfs/dbraw/zinc/63/17/52/560631752.db2.gz LXOOPOXGHHPADC-GJZGRUSLSA-N 1 0 402.586 1.854 50 0 HDAARO Cn1c2ccc(S(=O)(=O)NC[C@H](c3ccco3)N3CCCC3)cc2n(C)c1=O ZINC000051134334 560811522 /nfs/dbraw/zinc/81/15/22/560811522.db2.gz AEPVXEGEZRCTIH-QGZVFWFLSA-N 1 0 404.492 1.585 50 0 HDAARO C[NH+](C)C[C@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)[C@@H](O)c1ccccc1 ZINC000048081011 568432101 /nfs/dbraw/zinc/43/21/01/568432101.db2.gz NDGSBEUPJQPSIZ-RXVVDRJESA-N 1 0 413.522 1.951 50 0 HDAARO COc1ccc(-c2n[nH]cc2C[NH2+]CCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000048249900 568433205 /nfs/dbraw/zinc/43/32/05/568433205.db2.gz AAMAERZKEZMSON-GJZGRUSLSA-N 1 0 408.524 1.614 50 0 HDAARO O=C(Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O)Nc1nccs1 ZINC000049545973 568451366 /nfs/dbraw/zinc/45/13/66/568451366.db2.gz JJLUUSTULYEXPS-UHFFFAOYSA-N 1 0 410.503 1.661 50 0 HDAARO C[NH+](C)CCCNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095478982 568631934 /nfs/dbraw/zinc/63/19/34/568631934.db2.gz ATCIJSHDADKNSE-LLVKDONJSA-N 1 0 408.300 1.746 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2ccc(C)c(NC(=O)C3=CSCCO3)c2)CC1 ZINC000021019801 568658051 /nfs/dbraw/zinc/65/80/51/568658051.db2.gz ODNLDVRNCIYMIA-UHFFFAOYSA-N 1 0 418.563 1.906 50 0 HDAARO COCCNC(=O)Cn1cc(OC)c(=O)cc1C[NH+]1CCC(c2ccccc2)CC1 ZINC000096224101 568706517 /nfs/dbraw/zinc/70/65/17/568706517.db2.gz NZFLQIMZAGJSIS-UHFFFAOYSA-N 1 0 413.518 1.999 50 0 HDAARO COc1ccc(-c2cc3c4nnc(CCC(=O)NCC[NH+](C)C)n4ccn3n2)cc1 ZINC000096322363 568730290 /nfs/dbraw/zinc/73/02/90/568730290.db2.gz KHUCISRCSJXGEE-UHFFFAOYSA-N 1 0 407.478 1.663 50 0 HDAARO Cc1cc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3Cc3cccnc3)CC2)cc(C)[nH+]1 ZINC000015064751 568748852 /nfs/dbraw/zinc/74/88/52/568748852.db2.gz CTYGAMGULONEOT-OAQYLSRUSA-N 1 0 422.533 1.133 50 0 HDAARO C[NH+]1CCN([C@H](CNS(=O)(=O)c2cccs2)c2ccc3c(c2)OCO3)CC1 ZINC000022577329 568770177 /nfs/dbraw/zinc/77/01/77/568770177.db2.gz RIPWYVYKDVMLGZ-OAHLLOKOSA-N 1 0 409.533 1.744 50 0 HDAARO CCN1C(=O)N(CC)C(=O)C2(Cc3c(Cl)cccc3N3CC[N@H+](C)C[C@H]32)C1=O ZINC000057122054 568824375 /nfs/dbraw/zinc/82/43/75/568824375.db2.gz BSZFPVILXMNRLO-INIZCTEOSA-N 1 0 404.898 1.834 50 0 HDAARO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000230160532 568853632 /nfs/dbraw/zinc/85/36/32/568853632.db2.gz OZLROGAXDOFAQS-HZPDHXFCSA-N 1 0 415.581 1.995 50 0 HDAARO Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)cc1 ZINC000670433751 568868726 /nfs/dbraw/zinc/86/87/26/568868726.db2.gz NTGWFRCWSKGJFL-GOSISDBHSA-N 1 0 423.579 1.671 50 0 HDAARO Cc1ncccc1C(=O)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299769147 568873997 /nfs/dbraw/zinc/87/39/97/568873997.db2.gz JYLGSWZAVKIEKF-IBGZPJMESA-N 1 0 400.523 1.469 50 0 HDAARO O=C(Cc1ccc(O)cc1)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299801521 568876745 /nfs/dbraw/zinc/87/67/45/568876745.db2.gz YZJYHPBEAYHBOW-NRFANRHFSA-N 1 0 415.534 1.400 50 0 HDAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(S(=O)(=O)NC2CC2)o1 ZINC000030640704 568878521 /nfs/dbraw/zinc/87/85/21/568878521.db2.gz YRLITZYDCYQLJZ-UHFFFAOYSA-N 1 0 403.504 1.899 50 0 HDAARO CCn1c2ccc(C(=O)NC[C@H](c3ccc(OC)cc3)[NH+](C)C)cc2[nH]c(=O)c1=O ZINC000003334498 568882672 /nfs/dbraw/zinc/88/26/72/568882672.db2.gz PGQWGEGZNZEROE-LJQANCHMSA-N 1 0 410.474 1.751 50 0 HDAARO O=C(c1cccnc1S(=O)(=O)C(F)(F)F)N1CCN(c2ccccn2)CC1 ZINC000058196318 568899119 /nfs/dbraw/zinc/89/91/19/568899119.db2.gz MKQQUCKFJNFTLW-UHFFFAOYSA-N 1 0 400.382 1.733 50 0 HDAARO CSCC[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)Nc2ccccc2F)CC1 ZINC000004082399 568939121 /nfs/dbraw/zinc/93/91/21/568939121.db2.gz GXCQJIRBBJSMIO-BBRMVZONSA-N 1 0 424.542 1.588 50 0 biogenic HDAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CNC(=O)Cn2ccc3ccccc3c2=O)C1 ZINC000004142247 568946406 /nfs/dbraw/zinc/94/64/06/568946406.db2.gz IVFASFAOFWYCHT-HDICACEKSA-N 1 0 412.534 1.602 50 0 HDAARO COc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000670463494 568956788 /nfs/dbraw/zinc/95/67/88/568956788.db2.gz UOODLGSIKKMXLR-INIZCTEOSA-N 1 0 411.568 1.993 50 0 HDAARO CCCCn1c(N2CC[NH+](Cc3cccc(C)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004316413 568962173 /nfs/dbraw/zinc/96/21/73/568962173.db2.gz XSUSLJZQDGOFQN-UHFFFAOYSA-N 1 0 410.522 1.854 50 0 HDAARO COc1ccc([C@@H](CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)[NH+](C)C)cc1 ZINC000007989413 568966518 /nfs/dbraw/zinc/96/65/18/568966518.db2.gz XZZIBMRJSGREIU-QGZVFWFLSA-N 1 0 402.495 1.669 50 0 HDAARO O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)NCCC[NH+]1CCCCCC1 ZINC000015772614 568998638 /nfs/dbraw/zinc/99/86/38/568998638.db2.gz DLYQTPJSLZZQLQ-UHFFFAOYSA-N 1 0 408.506 1.940 50 0 HDAARO CC[N@H+](CCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(C)c1=O)Cc1ccccc1 ZINC000015786487 569007601 /nfs/dbraw/zinc/00/76/01/569007601.db2.gz UTNCEJHPTWGREW-UHFFFAOYSA-N 1 0 421.501 1.492 50 0 HDAARO C[NH+]1CCC(N2CCN(Cc3cc(F)ccc3-n3cccn3)C[C@H]2CCO)CC1 ZINC000104412905 569008664 /nfs/dbraw/zinc/00/86/64/569008664.db2.gz ZGIFCFNRGNFRTF-OAQYLSRUSA-N 1 0 401.530 1.974 50 0 HDAARO C[NH+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000012900637 569020741 /nfs/dbraw/zinc/02/07/41/569020741.db2.gz FHRLERNSAYIEFP-UHFFFAOYSA-N 1 0 421.501 1.757 50 0 biogenic HDAARO COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCO3)[NH+](C)C)cc1 ZINC000090607290 569041919 /nfs/dbraw/zinc/04/19/19/569041919.db2.gz AVQIAHLDLWRIHZ-SFHVURJKSA-N 1 0 411.458 1.766 50 0 HDAARO COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000239248081 569054049 /nfs/dbraw/zinc/05/40/49/569054049.db2.gz YABHZRMACQNXDY-ZDUSSCGKSA-N 1 0 408.524 1.263 50 0 HDAARO CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCC[NH+](C)C)c1=O)CC[C@H](C)C3 ZINC000006759249 569113213 /nfs/dbraw/zinc/11/32/13/569113213.db2.gz ZGSFUTXQOXPVPD-ZDUSSCGKSA-N 1 0 407.536 1.864 50 0 HDAARO COc1ccc(C(=O)N2CCN(C[C@H]3C[N@H+](C[C@@H](O)C(C)C)CCO3)CC2)cc1 ZINC000169681995 569133803 /nfs/dbraw/zinc/13/38/03/569133803.db2.gz QLAHAXZKDAHRTO-LEWJYISDSA-N 1 0 405.539 1.171 50 0 HDAARO CC[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccccc2)cnc1N1CC[NH2+]CC1 ZINC000065025140 569156175 /nfs/dbraw/zinc/15/61/75/569156175.db2.gz XOFVARLQBCVFOC-HNNXBMFYSA-N 1 0 417.535 1.820 50 0 HDAARO CC1CCN(S(=O)(=O)c2ccc(-c3nnc(C(=O)NCC[NH+](C)C)o3)cc2)CC1 ZINC000065113815 569180850 /nfs/dbraw/zinc/18/08/50/569180850.db2.gz OGYAGNBCSWBICR-UHFFFAOYSA-N 1 0 421.523 1.449 50 0 HDAARO CCC(=O)N1[C@H](C(=O)NCc2ccc3c(c2)OCO3)CSC12CC[NH+](C)CC2 ZINC000006943496 569186923 /nfs/dbraw/zinc/18/69/23/569186923.db2.gz FJPIDSTWEVCTCW-HNNXBMFYSA-N 1 0 405.520 1.807 50 0 HDAARO Cn1ncc(N2CCC[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1=O ZINC000065313678 569222813 /nfs/dbraw/zinc/22/28/13/569222813.db2.gz FCPZNHFOQXKPOC-LJQANCHMSA-N 1 0 409.534 1.778 50 0 HDAARO C[N@H+](CCC(=O)NCCNC(=O)OC(C)(C)C)[C@H]1CCN(c2ccccc2)C1=O ZINC000170599949 569242828 /nfs/dbraw/zinc/24/28/28/569242828.db2.gz RSMJJVSIFFCFSJ-KRWDZBQOSA-N 1 0 404.511 1.755 50 0 HDAARO O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000089840318 569267022 /nfs/dbraw/zinc/26/70/22/569267022.db2.gz PWORPNHVVBMRBK-HXUWFJFHSA-N 1 0 421.563 1.304 50 0 HDAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)c4cn(C)cn4)CC3)C2)CC1 ZINC000581819789 569320811 /nfs/dbraw/zinc/32/08/11/569320811.db2.gz KXUFKDGGHDTLFQ-LJQANCHMSA-N 1 0 403.571 1.848 50 0 HDAARO CC(=O)NC1=NN(C(C)=O)[C@]2(S1)c1ccccc1N(CC[NH+]1CCCCC1)C2=O ZINC000002341646 569376426 /nfs/dbraw/zinc/37/64/26/569376426.db2.gz UVCUXCMRLMWIPM-FQEVSTJZSA-N 1 0 415.519 1.674 50 0 HDAARO C[C@@H]([NH2+]CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)c1ccccc1 ZINC000013040352 569407922 /nfs/dbraw/zinc/40/79/22/569407922.db2.gz HDGROSRDZIUFLA-OAHLLOKOSA-N 1 0 407.474 1.481 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)CCN2N=C(c3ccc(OC)cc3)CCC2=O)CC1 ZINC000019359995 569420456 /nfs/dbraw/zinc/42/04/56/569420456.db2.gz ISBMBTNLVJGBDI-UHFFFAOYSA-N 1 0 415.538 1.166 50 0 HDAARO CCCC(=O)N1CSC[C@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000079025045 569424789 /nfs/dbraw/zinc/42/47/89/569424789.db2.gz SBSXRFCBUQXFJV-INIZCTEOSA-N 1 0 412.600 1.431 50 0 HDAARO COC(=O)[C@]1(NC(=O)Cn2c3ccccc3oc2=O)CCC[N@H+](Cc2ccccc2)C1 ZINC000079071285 569426852 /nfs/dbraw/zinc/42/68/52/569426852.db2.gz URDYZELQQXXOEK-QHCPKHFHSA-N 1 0 423.469 1.919 50 0 HDAARO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000040086204 571156885 /nfs/dbraw/zinc/15/68/85/571156885.db2.gz OZLROGAXDOFAQS-HOTGVXAUSA-N 1 0 415.581 1.995 50 0 HDAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3nnn(-c4cccs4)c3=O)CC2)cc1 ZINC000040087006 571157577 /nfs/dbraw/zinc/15/75/77/571157577.db2.gz ZIEBWUBMHJEGLD-UHFFFAOYSA-N 1 0 412.519 1.533 50 0 HDAARO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC000008992931 571207629 /nfs/dbraw/zinc/20/76/29/571207629.db2.gz SGKMJGSJZKAYMA-UHFFFAOYSA-N 1 0 406.490 1.741 50 0 HDAARO COCC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c2C)C1 ZINC000069815222 571245546 /nfs/dbraw/zinc/24/55/46/571245546.db2.gz QNDALPRURNGTNL-IYBDPMFKSA-N 1 0 413.522 1.830 50 0 HDAARO CC[NH+](CC)CCNC(=O)Cn1nc(C)n2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000009727859 571282556 /nfs/dbraw/zinc/28/25/56/571282556.db2.gz NGSZHCALBXEMKN-UHFFFAOYSA-N 1 0 412.494 1.333 50 0 HDAARO CC[NH+]1CCN(c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C)CC1 ZINC000010386265 571301687 /nfs/dbraw/zinc/30/16/87/571301687.db2.gz FHMGUXSTXBLZTP-UHFFFAOYSA-N 1 0 416.913 1.277 50 0 HDAARO O=C(Cc1cccnc1)N1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000012439411 1073962732 /nfs/dbraw/zinc/96/27/32/1073962732.db2.gz LOXNJDAVZJAKEF-NRFANRHFSA-N 1 0 414.550 1.622 50 0 HDAARO Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)NCCC[NH+](C)C ZINC000012004321 132353065 /nfs/dbraw/zinc/35/30/65/132353065.db2.gz WVCZHBNRLMBJSK-UHFFFAOYSA-N 1 0 403.570 1.463 50 0 HDAARO C[N@H+](Cc1cc[nH]n1)C1CCN(c2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2)CC1 ZINC000012241601 132357613 /nfs/dbraw/zinc/35/76/13/132357613.db2.gz WNGFQBVRFWJTML-NRFANRHFSA-N 1 0 424.549 1.909 50 0 HDAARO CC(C)N(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000045974254 519635637 /nfs/dbraw/zinc/63/56/37/519635637.db2.gz SFRZQROUGANNBR-UHFFFAOYSA-N 1 0 404.330 1.280 50 0 HDAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@]21c2ccc(C)c(C)c2NC1=O ZINC000020548776 520563074 /nfs/dbraw/zinc/56/30/74/520563074.db2.gz HJRBTQGLJOGHMF-PPSDVSMJSA-N 1 0 412.490 1.089 50 0 HDAARO CCOc1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)ccc1OCC(=O)N1CCCCC1 ZINC000032739809 520729936 /nfs/dbraw/zinc/72/99/36/520729936.db2.gz NXNVMEDUYFTXFR-KRWDZBQOSA-N 1 0 410.536 1.753 50 0 HDAARO CCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000045944752 521628305 /nfs/dbraw/zinc/62/83/05/521628305.db2.gz YXDFSNGSSCURII-UHFFFAOYSA-N 1 0 403.932 1.571 50 0 HDAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c2c(c(OC)c3c1CCN(C)C3)OCO2 ZINC000040312987 521658307 /nfs/dbraw/zinc/65/83/07/521658307.db2.gz QPGBTMLNSCHNPS-ZDUSSCGKSA-N 1 0 411.524 1.174 50 0 biogenic HDAARO CC[NH+]1CCN([C@H](CNC(=O)C(=O)NCCc2ccccc2)c2cccnc2)CC1 ZINC000023203182 521694915 /nfs/dbraw/zinc/69/49/15/521694915.db2.gz NFTSVIIIYRQOEM-OAQYLSRUSA-N 1 0 409.534 1.235 50 0 HDAARO Cn1c2nc(NCC[NH+](C)C)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000032508910 521793131 /nfs/dbraw/zinc/79/31/31/521793131.db2.gz KBLXYSCLAANVFY-UHFFFAOYSA-N 1 0 406.490 1.609 50 0 HDAARO Cn1c2sc3c(c2c(=O)n(Cc2nnc(SCC[NH+](C)C)o2)c1=O)CCC3 ZINC000031816888 521808428 /nfs/dbraw/zinc/80/84/28/521808428.db2.gz SMPSJHSLPZPNDS-UHFFFAOYSA-N 1 0 407.521 1.335 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000020549004 523292710 /nfs/dbraw/zinc/29/27/10/523292710.db2.gz ZIKFKRQUMPHCAR-KSVNGYGVSA-N 1 0 403.504 1.197 50 0 HDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccsc2)CC1 ZINC000022766197 523920651 /nfs/dbraw/zinc/92/06/51/523920651.db2.gz IDGFNLXQUBBHKE-GOSISDBHSA-N 1 0 404.511 1.608 50 0 HDAARO COc1ccc(CCN2C[C@H](C(=O)N3CC[NH+](C(C)C)CC3)CC2=O)cc1OC ZINC000045427523 523953090 /nfs/dbraw/zinc/95/30/90/523953090.db2.gz UKRFQDMJDDBCDA-GOSISDBHSA-N 1 0 403.523 1.647 50 0 HDAARO Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C[C@H]2CCCO2)cc1C ZINC000045974407 524312880 /nfs/dbraw/zinc/31/28/80/524312880.db2.gz MIVDSWLGLSNVBR-GOSISDBHSA-N 1 0 409.552 1.213 50 0 HDAARO COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C2CCCC2)c1 ZINC000045974231 524873626 /nfs/dbraw/zinc/87/36/26/524873626.db2.gz VFCILRKMLHTDFV-UHFFFAOYSA-N 1 0 411.524 1.069 50 0 HDAARO Cc1ccc(C(=O)N2CCC(CC(=O)NCCCN3CC[NH+](C)CC3)CC2)cc1 ZINC000032974192 526082273 /nfs/dbraw/zinc/08/22/73/526082273.db2.gz BEUNAACFWKEYKQ-UHFFFAOYSA-N 1 0 400.567 1.991 50 0 HDAARO O=C(CCN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N1CC[NH2+]CC1 ZINC000045944297 526475591 /nfs/dbraw/zinc/47/55/91/526475591.db2.gz PKOGVIVERWQGRH-UHFFFAOYSA-N 1 0 401.532 1.742 50 0 HDAARO O=C(CC[NH+]1CCN(c2ccc(F)cc2)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000032868762 526487785 /nfs/dbraw/zinc/48/77/85/526487785.db2.gz SSZCINFIVLEXTA-UHFFFAOYSA-N 1 0 417.485 1.624 50 0 HDAARO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@@H+](Cc1cccnc1)CC2 ZINC000020600998 527231555 /nfs/dbraw/zinc/23/15/55/527231555.db2.gz RPIPNDHEJUJJGV-UHFFFAOYSA-N 1 0 408.481 1.772 50 0 HDAARO COc1ccc([C@H](CNC(=O)C(=O)NCc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022795172 557822330 /nfs/dbraw/zinc/82/23/30/557822330.db2.gz UOPVVYVJHRUOBY-NRFANRHFSA-N 1 0 410.518 1.416 50 0 HDAARO COc1ccc([C@H](CNC(=O)C(=O)NC2CCCCCC2)N2CC[NH+](C)CC2)cc1 ZINC000022795316 557822604 /nfs/dbraw/zinc/82/26/04/557822604.db2.gz YOIJCSAJTDFNFL-NRFANRHFSA-N 1 0 416.566 1.939 50 0 HDAARO COc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)cc1OC ZINC000019745154 558265715 /nfs/dbraw/zinc/26/57/15/558265715.db2.gz OCXGRUTVVZMFGP-UHFFFAOYSA-N 1 0 422.489 1.679 50 0 HDAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)CN3CCCC3=O)C2)cc1OC ZINC000011878449 558292747 /nfs/dbraw/zinc/29/27/47/558292747.db2.gz WESKFXJXCWZGBR-SFHVURJKSA-N 1 0 403.523 1.792 50 0 HDAARO Cc1cc(C(F)(F)F)nc(CCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C2CCCC2)n1 ZINC000011947744 558302511 /nfs/dbraw/zinc/30/25/11/558302511.db2.gz JJLIIDLDIDSEJP-CQSZACIVSA-N 1 0 413.444 1.596 50 0 HDAARO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1cc(OC)ccc1OC)CC2 ZINC000012042802 558313270 /nfs/dbraw/zinc/31/32/70/558313270.db2.gz XXCABKZKMQPFAD-HNNXBMFYSA-N 1 0 417.510 1.567 50 0 HDAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000012048072 558313297 /nfs/dbraw/zinc/31/32/97/558313297.db2.gz DTIBCVSJIPGATC-GOSISDBHSA-N 1 0 407.540 1.591 50 0 HDAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3cccc(OCCO)c3)CC2)O1)[C@H]1CCCO1 ZINC000012182980 558343917 /nfs/dbraw/zinc/34/39/17/558343917.db2.gz LVPWTIMEPDYLOD-NHCUHLMSSA-N 1 0 418.534 1.867 50 0 HDAARO CC(C)CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000020533466 558384604 /nfs/dbraw/zinc/38/46/04/558384604.db2.gz TYBBJDDBWYYFGL-UHFFFAOYSA-N 1 0 424.549 1.787 50 0 HDAARO CC1(C)CC(NC(=O)c2nc(COc3ccc(CC(N)=O)cc3)no2)CC(C)(C)[NH2+]1 ZINC000020723887 558404159 /nfs/dbraw/zinc/40/41/59/558404159.db2.gz ZJKUBPLMKGQPFU-UHFFFAOYSA-N 1 0 415.494 1.715 50 0 HDAARO COc1ccc(CC[N@H+](C)[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2O)cc1OC ZINC000012443414 558412991 /nfs/dbraw/zinc/41/29/91/558412991.db2.gz QORMGZKGCMPERE-OALUTQOASA-N 1 0 420.531 1.612 50 0 HDAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)Cn2nc3ccccc3n2)CC1 ZINC000020906689 558421038 /nfs/dbraw/zinc/42/10/38/558421038.db2.gz DEAPZJCKONRAMI-IBGZPJMESA-N 1 0 415.538 1.797 50 0 HDAARO C[C@H](CNC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1)[N@@H+]1CCc2ccccc2C1 ZINC000024624409 558605498 /nfs/dbraw/zinc/60/54/98/558605498.db2.gz SWZALRGSXPRCME-IAGOWNOFSA-N 1 0 405.502 1.888 50 0 HDAARO O=C(Cn1nc(-c2ccccc2)oc1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014141763 558625067 /nfs/dbraw/zinc/62/50/67/558625067.db2.gz PCFBCAZUUQFBLL-UHFFFAOYSA-N 1 0 400.479 1.655 50 0 HDAARO CC(C)[NH+]1CCN(C(=O)C2CCN(c3cnc(N4CCSCC4)nc3)CC2)CC1 ZINC000065166881 558652836 /nfs/dbraw/zinc/65/28/36/558652836.db2.gz SUDVNPRCYLXYOL-UHFFFAOYSA-N 1 0 418.611 1.799 50 0 HDAARO Cc1cccc(CN2CCc3c(cc(C(=O)NCCN4CC[NH+](C)CC4)n3C)C2)c1 ZINC000065210893 558655414 /nfs/dbraw/zinc/65/54/14/558655414.db2.gz NUIFZWFSWOBMPV-UHFFFAOYSA-N 1 0 409.578 1.869 50 0 HDAARO CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H]([NH2+]CC1(O)CCCCC1)C2 ZINC000014534374 558657335 /nfs/dbraw/zinc/65/73/35/558657335.db2.gz BFHXWZZHLXEJHR-SFHVURJKSA-N 1 0 417.598 1.823 50 0 HDAARO COCCN1C(=O)N(C)C(=O)C12CC[NH+](C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000014740574 558666793 /nfs/dbraw/zinc/66/67/93/558666793.db2.gz WNHVTACXKOLKQR-INIZCTEOSA-N 1 0 417.506 1.969 50 0 HDAARO O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014743935 558668033 /nfs/dbraw/zinc/66/80/33/558668033.db2.gz HUYKNIOMAKLSMQ-SJBKTWHCSA-N 1 0 417.550 1.458 50 0 HDAARO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000014954875 558681899 /nfs/dbraw/zinc/68/18/99/558681899.db2.gz VLVYLDDJQYYIQF-OAHLLOKOSA-N 1 0 415.494 1.321 50 0 HDAARO O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)N1CC[NH+](CC2CC2)CC1 ZINC000015067295 558710069 /nfs/dbraw/zinc/71/00/69/558710069.db2.gz DPKOCNSQEQNJOY-LJQANCHMSA-N 1 0 406.477 1.210 50 0 HDAARO COc1cc(CN2CCN(C(C)=O)CC2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000015075449 558716026 /nfs/dbraw/zinc/71/60/26/558716026.db2.gz JLGHCESUHKFDHS-LJQANCHMSA-N 1 0 423.579 1.148 50 0 HDAARO COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cc(N(C)C)[nH+]c(C)n2)CC1 ZINC000015671236 558748205 /nfs/dbraw/zinc/74/82/05/558748205.db2.gz VSHHFSVISTZQQA-UHFFFAOYSA-N 1 0 405.524 1.679 50 0 HDAARO CC1(C)CC(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(Cc5ccco5)C(=O)[C@@H]24)O3)CC(C)(C)[NH2+]1 ZINC000015905398 558761299 /nfs/dbraw/zinc/76/12/99/558761299.db2.gz RKFITMNYIQHZHA-YTSMVRMISA-N 1 0 413.518 1.987 50 0 HDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016022116 558767883 /nfs/dbraw/zinc/76/78/83/558767883.db2.gz HNFXQMYEYFSSGC-GBPOLFSSSA-N 1 0 421.453 1.002 50 0 HDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016024607 558768588 /nfs/dbraw/zinc/76/85/88/558768588.db2.gz GMVWDFZCSGUWIP-KZDUYQQSSA-N 1 0 405.882 1.753 50 0 HDAARO C/C=C/Cn1c(=O)c2c(nc3n(CCC[NH+]4CCOCC4)c(C)c(C)n32)n(C)c1=O ZINC000019201053 558847413 /nfs/dbraw/zinc/84/74/13/558847413.db2.gz ZIWWEVMECFUSSL-AATRIKPKSA-N 1 0 414.510 1.065 50 0 HDAARO CC(=O)Nc1ccc(C(=O)N(CCc2ccccc2)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000033032543 558856821 /nfs/dbraw/zinc/85/68/21/558856821.db2.gz AKELKNCHEFVFKM-UHFFFAOYSA-N 1 0 408.502 1.762 50 0 HDAARO Cn1ccnc1SCC[NH2+]Cc1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000019334393 558869511 /nfs/dbraw/zinc/86/95/11/558869511.db2.gz OFKFPQRPDNVRKI-GOSISDBHSA-N 1 0 406.552 1.374 50 0 HDAARO CN1N=C(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)CCC1=O ZINC000055369508 558880420 /nfs/dbraw/zinc/88/04/20/558880420.db2.gz ZZUMLXNMTABWPN-SFHVURJKSA-N 1 0 401.486 1.547 50 0 HDAARO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000058166760 558907120 /nfs/dbraw/zinc/90/71/20/558907120.db2.gz DIRJZGJGAGRHPD-ICSRJNTNSA-N 1 0 416.522 1.781 50 0 HDAARO CCc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)nc(C)n1 ZINC000071759475 558909905 /nfs/dbraw/zinc/90/99/05/558909905.db2.gz ZHUDPIOHDJOZHJ-GOSISDBHSA-N 1 0 401.555 1.887 50 0 HDAARO O=C(c1cc2ncccn2n1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071768022 558910846 /nfs/dbraw/zinc/91/08/46/558910846.db2.gz QWZHTZAPLCMBHM-KRWDZBQOSA-N 1 0 410.522 1.668 50 0 HDAARO Cc1nc(N2CCOCC2)cc(NCCNS(=O)(=O)c2ccc(F)cc2F)[nH+]1 ZINC000072139986 558929029 /nfs/dbraw/zinc/92/90/29/558929029.db2.gz VKPSUKSOUZKZBS-UHFFFAOYSA-N 1 0 413.450 1.290 50 0 HDAARO CC[NH+]1CCN(CCNC(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000033060348 558954896 /nfs/dbraw/zinc/95/48/96/558954896.db2.gz CGJRLEUEAHWKFR-UHFFFAOYSA-N 1 0 422.942 1.811 50 0 HDAARO COc1ccc(CC(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)cc1 ZINC000065361937 558972498 /nfs/dbraw/zinc/97/24/98/558972498.db2.gz WLFZULMTQYSPDU-UHFFFAOYSA-N 1 0 411.506 1.522 50 0 HDAARO CCNc1cc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)nc(C)[nH+]1 ZINC000065364658 558975691 /nfs/dbraw/zinc/97/56/91/558975691.db2.gz PQUGTOJRDHOGHV-UHFFFAOYSA-N 1 0 418.523 1.686 50 0 HDAARO COc1ccc(N([C@H](C)C(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)cc1Cl ZINC000065365037 558976162 /nfs/dbraw/zinc/97/61/62/558976162.db2.gz IXFXCHCGMRYINI-GFCCVEGCSA-N 1 0 403.932 1.714 50 0 HDAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC000065365043 558976209 /nfs/dbraw/zinc/97/62/09/558976209.db2.gz PEOSPPJUDGNNBC-UHFFFAOYSA-N 1 0 417.535 1.905 50 0 HDAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)[nH+]1 ZINC000072434316 558979872 /nfs/dbraw/zinc/97/98/72/558979872.db2.gz BJSMWSREFLVUSV-UHFFFAOYSA-N 1 0 403.433 1.862 50 0 HDAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)[nH+]1 ZINC000067604316 558988428 /nfs/dbraw/zinc/98/84/28/558988428.db2.gz BVKOQIWTBUFCDJ-UHFFFAOYSA-N 1 0 420.517 1.994 50 0 HDAARO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 ZINC000097097517 558992408 /nfs/dbraw/zinc/99/24/08/558992408.db2.gz HQVKJVGPODOFQT-AWEZNQCLSA-N 1 0 406.957 1.578 50 0 HDAARO COc1ccc(OC)c(CNC(=O)[C@@H]2C[C@@H](NC(=O)c3cccc(F)c3)C[NH2+]2)c1 ZINC000067851366 558994098 /nfs/dbraw/zinc/99/40/98/558994098.db2.gz RCAQWOPYQDVGFE-AEFFLSMTSA-N 1 0 401.438 1.620 50 0 HDAARO Cc1nccc(N2CCC3(CN(CCCN4CC[C@H]([NH+](C)C)C4)C(=O)O3)CC2)n1 ZINC000077300303 559000846 /nfs/dbraw/zinc/00/08/46/559000846.db2.gz NXJOUXVZVAMNRI-SFHVURJKSA-N 1 0 402.543 1.602 50 0 HDAARO CC[C@H]([NH3+])C(=O)N1CCc2ccc(S(=O)(=O)N(C)Cc3nccs3)cc2C1 ZINC000077322099 559001454 /nfs/dbraw/zinc/00/14/54/559001454.db2.gz OTBDJEDXYGMFSN-INIZCTEOSA-N 1 0 408.549 1.586 50 0 HDAARO Cc1ccc(CN(C)C(=O)[C@H]2[C@H]3C(=O)N(CC[NH+]4CCCCC4)C[C@@]34C=C[C@@H]2O4)o1 ZINC000077405990 559003855 /nfs/dbraw/zinc/00/38/55/559003855.db2.gz MHYVVOYREOYGKL-SRYPRDQNSA-N 1 0 413.518 1.814 50 0 HDAARO Cc1nccnc1N1CCC2(CN(CCCN3CC[NH+](C(C)C)CC3)C(=O)O2)CC1 ZINC000077520842 559008179 /nfs/dbraw/zinc/00/81/79/559008179.db2.gz SPECNZADFMPWDS-UHFFFAOYSA-N 1 0 416.570 1.992 50 0 HDAARO Cc1cn(CC(=O)N[C@@H]2CCCC[N@H+](Cc3ccccc3Cl)C2)c(=O)[nH]c1=O ZINC000082097859 559037781 /nfs/dbraw/zinc/03/77/81/559037781.db2.gz KUDHMCBDUDUPKL-MRXNPFEDSA-N 1 0 404.898 1.669 50 0 HDAARO CC(C)OCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082116304 559039188 /nfs/dbraw/zinc/03/91/88/559039188.db2.gz UIGGAGKSXDBDPZ-IBGZPJMESA-N 1 0 402.539 1.826 50 0 HDAARO Cn1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000082119923 559039250 /nfs/dbraw/zinc/03/92/50/559039250.db2.gz OGJBGVHONQPWDW-SFHVURJKSA-N 1 0 410.522 1.448 50 0 HDAARO CC(C)NC(=O)CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082121088 559039525 /nfs/dbraw/zinc/03/95/25/559039525.db2.gz ZVIJJXDKNJGUEJ-GOSISDBHSA-N 1 0 401.555 1.399 50 0 HDAARO Cn1nccc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082127473 559040075 /nfs/dbraw/zinc/04/00/75/559040075.db2.gz IGPNENHWBRVIEJ-QGZVFWFLSA-N 1 0 410.522 1.448 50 0 HDAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)CC1 ZINC000091656984 559072799 /nfs/dbraw/zinc/07/27/99/559072799.db2.gz LXUOHUBPNKWQKC-KRWDZBQOSA-N 1 0 423.583 1.718 50 0 HDAARO O=C(NCC1(COc2ccccc2)CC1)[C@H]1C[NH2+]C[C@H](C(=O)N2CCOCC2)C1 ZINC000091966015 559074830 /nfs/dbraw/zinc/07/48/30/559074830.db2.gz SLAWCOOMZBAZGD-QZTJIDSGSA-N 1 0 401.507 1.046 50 0 HDAARO CC[NH+]1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3cc(C)on3)c2)CC1 ZINC000095515311 559084502 /nfs/dbraw/zinc/08/45/02/559084502.db2.gz PCDIMEVBWDJHEG-OAQYLSRUSA-N 1 0 402.539 1.992 50 0 HDAARO CCCCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)CC1 ZINC000005147931 559252924 /nfs/dbraw/zinc/25/29/24/559252924.db2.gz FNHXBSGLCHHVRA-UHFFFAOYSA-N 1 0 424.549 1.978 50 0 HDAARO CN(CC1([NH+]2CCCCC2)CCCCC1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O ZINC000426489692 559271848 /nfs/dbraw/zinc/27/18/48/559271848.db2.gz SGHNAAPCBFQXFK-MRXNPFEDSA-N 1 0 403.527 1.248 50 0 HDAARO CC1(C)CC(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccco5)C(=O)[C@@H]24)O3)CC(C)(C)[NH2+]1 ZINC000006760411 560634752 /nfs/dbraw/zinc/63/47/52/560634752.db2.gz RKFITMNYIQHZHA-JFNLIGNMSA-N 1 0 413.518 1.987 50 0 HDAARO CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2NCC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC000101445668 560795061 /nfs/dbraw/zinc/79/50/61/560795061.db2.gz KTHHCXHXSBKHKA-INIZCTEOSA-N 1 0 406.527 1.992 50 0 HDAARO COC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000106615824 560892726 /nfs/dbraw/zinc/89/27/26/560892726.db2.gz QTWHPKCUSCGRHL-LJQANCHMSA-N 1 0 418.494 1.122 50 0 HDAARO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000048274279 568434163 /nfs/dbraw/zinc/43/41/63/568434163.db2.gz IXJUQKCQXXQDSM-RTBURBONSA-N 1 0 404.490 1.377 50 0 HDAARO C1CCc2c(c3c(nc2N2CCOCC2)sc2c3nnnc2N2CC[NH2+]CC2)C1 ZINC000000779464 568474199 /nfs/dbraw/zinc/47/41/99/568474199.db2.gz ZPVQONCMKZBGTB-UHFFFAOYSA-N 1 0 411.535 1.760 50 0 HDAARO CC(C)n1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020026529 568586268 /nfs/dbraw/zinc/58/62/68/568586268.db2.gz FPNNYSMMGIXOKU-UHFFFAOYSA-N 1 0 410.522 1.332 50 0 HDAARO CCc1nn(CC(=O)NCCCN2CC[NH+](C)CC2)c(=O)c2cc3sccc3n21 ZINC000020384067 568603051 /nfs/dbraw/zinc/60/30/51/568603051.db2.gz GVHVLFUPLDUASC-UHFFFAOYSA-N 1 0 416.551 1.027 50 0 HDAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCN4CCOCC4)[C@H]3C[C@]21O ZINC000020410989 568605121 /nfs/dbraw/zinc/60/51/21/568605121.db2.gz KIHWOIFCLKGLKQ-PACCEGMYSA-N 1 0 410.555 1.186 50 0 biogenic HDAARO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1F ZINC000095452573 568615462 /nfs/dbraw/zinc/61/54/62/568615462.db2.gz RKZJXCAFVSCEJQ-UHFFFAOYSA-N 1 0 405.517 1.492 50 0 HDAARO C[NH+]1CCN(CCCNC(=O)CCCn2c(=O)c3cccn3c3cccnc32)CC1 ZINC000020512842 568622169 /nfs/dbraw/zinc/62/21/69/568622169.db2.gz IGBHCDUYSKEQDE-UHFFFAOYSA-N 1 0 410.522 1.183 50 0 HDAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000020530934 568626900 /nfs/dbraw/zinc/62/69/00/568626900.db2.gz MVXTWFUNIQUEJZ-IBGZPJMESA-N 1 0 402.495 1.504 50 0 HDAARO CC[NH+](CC)CCNC(=O)[C@H](C)n1nc(-c2ccc(OC)cc2)c(OC)cc1=O ZINC000096101075 568691348 /nfs/dbraw/zinc/69/13/48/568691348.db2.gz YZRZHFFWOSFWPQ-HNNXBMFYSA-N 1 0 402.495 1.947 50 0 HDAARO COc1ccc(C(=O)N2CCN(C[C@@H]3C[N@H+](C[C@@H](O)C(C)C)CCO3)CC2)cc1 ZINC000096281269 568718781 /nfs/dbraw/zinc/71/87/81/568718781.db2.gz QLAHAXZKDAHRTO-NHCUHLMSSA-N 1 0 405.539 1.171 50 0 HDAARO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)CC2)C1=O ZINC000239762184 568729680 /nfs/dbraw/zinc/72/96/80/568729680.db2.gz CLDUQPPFUHJNKE-RTBURBONSA-N 1 0 414.506 1.229 50 0 HDAARO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)CC2)C1=O ZINC000239762181 568729701 /nfs/dbraw/zinc/72/97/01/568729701.db2.gz CLDUQPPFUHJNKE-MOPGFXCFSA-N 1 0 414.506 1.229 50 0 HDAARO C[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000025077129 568748529 /nfs/dbraw/zinc/74/85/29/568748529.db2.gz JEZQKGIJXMVCTQ-CQSZACIVSA-N 1 0 415.925 1.774 50 0 HDAARO COCCN1C(=O)C(=C(C)NC[C@H](c2ccc(OC)cc2)[NH+](C)C)C(=O)NC1=S ZINC000025571573 568822031 /nfs/dbraw/zinc/82/20/31/568822031.db2.gz HQHGLNKEWJTRIK-UDLNKVAWSA-N 1 0 420.535 1.051 50 0 HDAARO C[N@H+](C[C@@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCC1 ZINC000003211819 568846655 /nfs/dbraw/zinc/84/66/55/568846655.db2.gz JAAWIAFOLYWFDX-GOSISDBHSA-N 1 0 412.552 1.712 50 0 HDAARO Cc1nc(CC(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cs1 ZINC000299760378 568873294 /nfs/dbraw/zinc/87/32/94/568873294.db2.gz QRZOKYHBDWKDFE-IBGZPJMESA-N 1 0 420.579 1.460 50 0 HDAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1cccc(F)c1 ZINC000299765324 568873788 /nfs/dbraw/zinc/87/37/88/568873788.db2.gz FNDRKZAVOXVBDH-FQEVSTJZSA-N 1 0 403.498 1.905 50 0 HDAARO Cc1c(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)ccn1C ZINC000299774434 568874599 /nfs/dbraw/zinc/87/45/99/568874599.db2.gz CYMSAECUSSTXNC-LJQANCHMSA-N 1 0 402.539 1.413 50 0 HDAARO O=C1CCCN1CC[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299778027 568874833 /nfs/dbraw/zinc/87/48/33/568874833.db2.gz LYMRLSHMLJMTRC-HXUWFJFHSA-N 1 0 419.497 1.519 50 0 HDAARO O=C(Cc1ccc(F)cc1)NC[C@@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1 ZINC000299782037 568875227 /nfs/dbraw/zinc/87/52/27/568875227.db2.gz MDALSTHEYJCABF-HXUWFJFHSA-N 1 0 403.498 1.729 50 0 HDAARO Cc1cc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cnc1C ZINC000299783758 568875400 /nfs/dbraw/zinc/87/54/00/568875400.db2.gz UYTDCVZTJNCAOY-NRFANRHFSA-N 1 0 414.550 1.778 50 0 HDAARO Cc1ncsc1C(=O)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299798878 568876459 /nfs/dbraw/zinc/87/64/59/568876459.db2.gz WFKQLNUKUUPOGG-KRWDZBQOSA-N 1 0 406.552 1.531 50 0 HDAARO CCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cc(C)ccc2C)CC1 ZINC000004316510 568962381 /nfs/dbraw/zinc/96/23/81/568962381.db2.gz JNTRLMZBVPOMSU-UHFFFAOYSA-N 1 0 410.522 1.620 50 0 HDAARO Cn1c2nc(N3CC[NH2+]CC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)[nH]c1=O ZINC000004316574 568962460 /nfs/dbraw/zinc/96/24/60/568962460.db2.gz JZDHHDMXSNRGIY-UHFFFAOYSA-N 1 0 409.277 1.188 50 0 HDAARO CC[NH+](CC)CCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000006046644 568982419 /nfs/dbraw/zinc/98/24/19/568982419.db2.gz ONWKBVREXBUENR-UHFFFAOYSA-N 1 0 413.540 1.178 50 0 HDAARO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CSC3=[NH+]CCN3)cc2)C1 ZINC000012821311 569005577 /nfs/dbraw/zinc/00/55/77/569005577.db2.gz YHZSBDKXBJBIJH-KBPBESRZSA-N 1 0 410.565 1.984 50 0 HDAARO COc1cccc(NC(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)c1 ZINC000015825160 569011348 /nfs/dbraw/zinc/01/13/48/569011348.db2.gz XPPBEFLZDZLBGH-UHFFFAOYSA-N 1 0 412.494 1.984 50 0 HDAARO Cn1c(CSc2nc(N)cc(N)[nH+]2)nnc1SCC(=O)NCc1ccccc1 ZINC000006147848 569014799 /nfs/dbraw/zinc/01/47/99/569014799.db2.gz XLIFQNKMWNBHOQ-UHFFFAOYSA-N 1 0 416.536 1.470 50 0 HDAARO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000035428622 569036626 /nfs/dbraw/zinc/03/66/26/569036626.db2.gz FJHXGNLMSNQGOP-UHFFFAOYSA-N 1 0 421.501 1.335 50 0 HDAARO C[N@@H+]1CCN2c3ccccc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)[C@H]2C1 ZINC000245329447 569056038 /nfs/dbraw/zinc/05/60/38/569056038.db2.gz ZCGAAJZZWYCMKO-GCJKJVERSA-N 1 0 408.433 1.772 50 0 HDAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc(=O)n1CCOc1ccccc1Cl ZINC000089382522 569058819 /nfs/dbraw/zinc/05/88/19/569058819.db2.gz CPTBRWXSPZJIJI-MRXNPFEDSA-N 1 0 418.925 1.556 50 0 HDAARO COCCN1C(=O)NC(=O)[C@]2(Cc3c(Cl)cccc3N3CC[N@H+](C)C[C@H]32)C1=O ZINC000035877378 569064336 /nfs/dbraw/zinc/06/43/36/569064336.db2.gz BIXOVXYSMVYVII-HNAYVOBHSA-N 1 0 406.870 1.568 50 0 HDAARO Cc1ccc(Cn2c(=O)c(C(=O)NCC[NH+](C)C)nn(-c3ccccc3)c2=O)cc1 ZINC000036085995 569087814 /nfs/dbraw/zinc/08/78/14/569087814.db2.gz YVRPEWZSZORPOF-UHFFFAOYSA-N 1 0 407.474 1.042 50 0 HDAARO CC[C@H](C(=O)NCCN1CC[NH+](CC)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787527 569094204 /nfs/dbraw/zinc/09/42/04/569094204.db2.gz MOKNFFODCPJBEM-LJQANCHMSA-N 1 0 424.549 1.593 50 0 HDAARO CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[NH+]3CCCCCC3)C2)c1 ZINC000064958052 569134306 /nfs/dbraw/zinc/13/43/06/569134306.db2.gz NALVVANJWHGTDS-KRWDZBQOSA-N 1 0 411.572 1.296 50 0 HDAARO CC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccccc2)cnc1N1CC[NH2+]CC1 ZINC000065025139 569156195 /nfs/dbraw/zinc/15/61/95/569156195.db2.gz XOFVARLQBCVFOC-OAHLLOKOSA-N 1 0 417.535 1.820 50 0 HDAARO O=C(NCCCN1CCOCC1)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000065255748 569207932 /nfs/dbraw/zinc/20/79/32/569207932.db2.gz MVGBPJQXGPCGES-NRFANRHFSA-N 1 0 409.534 1.685 50 0 HDAARO O=C(NCCCN1CCOCC1)c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000065255749 569207944 /nfs/dbraw/zinc/20/79/44/569207944.db2.gz MVGBPJQXGPCGES-OAQYLSRUSA-N 1 0 409.534 1.685 50 0 HDAARO CCn1c2cc(C(=O)NCCCOC3CC[NH+](C)CC3)ccc2n2nccc2c1=O ZINC000065270829 569213453 /nfs/dbraw/zinc/21/34/53/569213453.db2.gz ZONUDEALQPZIRL-UHFFFAOYSA-N 1 0 411.506 1.900 50 0 HDAARO Cn1ncc(N2CCC[C@@H](C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C2)cc1=O ZINC000065313910 569222988 /nfs/dbraw/zinc/22/29/88/569222988.db2.gz PCOFNKDEOMISGL-HXUWFJFHSA-N 1 0 409.534 1.561 50 0 HDAARO CC[NH+](CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)c1ccc(C)cc1 ZINC000170624347 569249363 /nfs/dbraw/zinc/24/93/63/569249363.db2.gz JEUWQXJVNLSMGE-UHFFFAOYSA-N 1 0 412.494 1.368 50 0 HDAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3c(F)cccc3F)CC2)[nH+]1 ZINC000017012212 569271365 /nfs/dbraw/zinc/27/13/65/569271365.db2.gz WTJPQCBQTUVDRW-UHFFFAOYSA-N 1 0 403.433 1.862 50 0 HDAARO O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000252506578 569291371 /nfs/dbraw/zinc/29/13/71/569291371.db2.gz WAQZYKRESISBCJ-LJQANCHMSA-N 1 0 407.474 1.953 50 0 HDAARO COc1ccc(C(=O)/N=c2\scc(C)n2CC(=O)NCC[NH+](C)C)cc1OC ZINC000037428278 569298812 /nfs/dbraw/zinc/29/88/12/569298812.db2.gz SYOBHWCHQXQUTG-VZCXRCSSSA-N 1 0 406.508 1.294 50 0 HDAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)c4cnccn4)CC3)C2)CC1 ZINC000581820136 569320985 /nfs/dbraw/zinc/32/09/85/569320985.db2.gz UJBIRKXMEBLLCS-LJQANCHMSA-N 1 0 401.555 1.904 50 0 HDAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)cc2)CC1 ZINC000002449769 569402845 /nfs/dbraw/zinc/40/28/45/569402845.db2.gz NTLBMUVEGUJKLB-UHFFFAOYSA-N 1 0 402.886 1.267 50 0 HDAARO CCN(C(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013057137 569408208 /nfs/dbraw/zinc/40/82/08/569408208.db2.gz ISEFWOKZPQQBFR-IYBDPMFKSA-N 1 0 413.522 1.498 50 0 HDAARO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccn(-c3ccccc3Cl)n2)CC1=O ZINC000328591898 569415085 /nfs/dbraw/zinc/41/50/85/569415085.db2.gz QACGLPKMXMAEJR-OAHLLOKOSA-N 1 0 419.913 1.435 50 0 HDAARO C[NH+]1CCN(CCCNC(=O)CCc2nc3cc(Br)cnc3[nH]2)CC1 ZINC000079491921 569432455 /nfs/dbraw/zinc/43/24/55/569432455.db2.gz DRVVSNFFSLILTA-UHFFFAOYSA-N 1 0 409.332 1.407 50 0 HDAARO COc1ccc(CC(=O)N[C@@H](C)C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1 ZINC000008996281 571208685 /nfs/dbraw/zinc/20/86/85/571208685.db2.gz MBALDADSYRWHNH-HNNXBMFYSA-N 1 0 411.506 1.129 50 0 HDAARO COc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[NH+]4CCCC4)nc(C)n3n2)cc1 ZINC000009727983 571282711 /nfs/dbraw/zinc/28/27/11/571282711.db2.gz FLVKPBMSRFAEIO-UHFFFAOYSA-N 1 0 424.505 1.477 50 0 HDAARO