smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+](C)C ZINC000009135427 132228563 /nfs/dbraw/zinc/22/85/63/132228563.db2.gz VYTXTFIJEQFSQL-OAQYLSRUSA-N 1 0 408.546 3.043 50 10 HGCARO CN1CCc2cc([C@@H](CNC(=O)c3ccc(Cl)cc3)N3CC[NH+](C)CC3)ccc21 ZINC000022733595 557807519 /nfs/dbraw/zinc/80/75/19/557807519.db2.gz OWJYJXBZUBPQNN-JOCHJYFZSA-N 1 0 412.965 3.051 50 10 HGCARO COc1ccc(-c2noc(CN3CC[NH+](Cc4cc(C)c(C)cc4O)CC3)n2)cc1 ZINC000023269858 559077798 /nfs/dbraw/zinc/07/77/98/559077798.db2.gz AMXNZLPPTPDKHZ-UHFFFAOYSA-N 1 0 408.502 3.385 50 10 HGCARO COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1F ZINC000005098963 559244724 /nfs/dbraw/zinc/24/47/24/559244724.db2.gz YYCBRYMMDCGUEJ-HXUWFJFHSA-N 1 0 421.538 3.016 50 10 HGCARO CC1(C)Oc2ccc(/C=C/C(=O)N3CCCCC3)c(O)c2[C@@H]([NH+]2CCCCC2)[C@@H]1O ZINC000005118968 559247408 /nfs/dbraw/zinc/24/74/08/559247408.db2.gz LTAZBMAAZPCUIX-HRQOKUPJSA-N 1 0 414.546 3.477 50 10 biogenic HGCARO COC(=O)c1ccc(-n2c(C)cc([C@@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c2C)cc1 ZINC000012619539 568872472 /nfs/dbraw/zinc/87/24/72/568872472.db2.gz OUGIDVRHKJHYPC-HXUWFJFHSA-N 1 0 414.469 3.327 50 10 HGCARO Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c(C)c1 ZINC000008798845 571120421 /nfs/dbraw/zinc/12/04/21/571120421.db2.gz FKMLADKNPHXPFS-OAQYLSRUSA-N 1 0 401.576 3.267 50 10 HGCARO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1 ZINC000008801056 571120660 /nfs/dbraw/zinc/12/06/60/571120660.db2.gz VVNLKFLSYHBDFH-QFIPXVFZSA-N 1 0 413.587 3.411 50 10 HGCARO CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+](C)C)cc1 ZINC000008964018 571190792 /nfs/dbraw/zinc/19/07/92/571190792.db2.gz UMKNNMXYTAKUQS-JOCHJYFZSA-N 1 0 408.546 3.160 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c(C)c1 ZINC000004330646 558262611 /nfs/dbraw/zinc/26/26/11/558262611.db2.gz NZUFZEKIJKUPCB-JOCHJYFZSA-N 1 0 408.546 3.261 50 10 HGCARO COc1ccc2ccc(O)c(C[NH+]3CCN(CC(=O)N4CCCCCC4)CC3)c2c1 ZINC000022788266 558511597 /nfs/dbraw/zinc/51/15/97/558511597.db2.gz AOUHWULWMVOYCP-UHFFFAOYSA-N 1 0 411.546 3.074 50 10 HGCARO COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)CCOc4ccccc4)C3)CC2)cc1 ZINC000055211804 558876167 /nfs/dbraw/zinc/87/61/67/558876167.db2.gz ASOPUJDGHOQKGW-JOCHJYFZSA-N 1 0 423.557 3.277 50 10 HGCARO C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC000067604317 558988384 /nfs/dbraw/zinc/98/83/84/558988384.db2.gz BSMWPVSVENXQGG-UHFFFAOYSA-N 1 0 414.358 3.224 50 10 HGCARO COc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1 ZINC000008963403 571190547 /nfs/dbraw/zinc/19/05/47/571190547.db2.gz QIPRWANMPMNXAY-HSZRJFAPSA-N 1 0 409.530 3.020 50 10 HGCARO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1C ZINC000008964161 571190817 /nfs/dbraw/zinc/19/08/17/571190817.db2.gz JLEWJOUPNZCRQS-QHCPKHFHSA-N 1 0 420.557 3.188 50 10 HGCARO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c(C)c1 ZINC000009135428 132228621 /nfs/dbraw/zinc/22/86/21/132228621.db2.gz DARRGTJWMBBTEL-QFIPXVFZSA-N 1 0 422.573 3.352 50 10 HGCARO O=C(Nc1cccc(F)c1)c1coc(CN2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC000034678078 557366029 /nfs/dbraw/zinc/36/60/29/557366029.db2.gz MKQVAHJYFAAWFS-UHFFFAOYSA-N 1 0 410.449 3.089 50 10 HGCARO CN1CCc2cc([C@H](CNC(=O)c3ccccc3Cl)N3CC[NH+](C)CC3)ccc21 ZINC000022733735 557807572 /nfs/dbraw/zinc/80/75/72/557807572.db2.gz IZTMWYURSRRJIJ-QFIPXVFZSA-N 1 0 412.965 3.051 50 10 HGCARO CN1CCc2cc([C@@H](CNC(=O)c3ccccc3Cl)N3CC[NH+](C)CC3)ccc21 ZINC000022733738 557807671 /nfs/dbraw/zinc/80/76/71/557807671.db2.gz IZTMWYURSRRJIJ-JOCHJYFZSA-N 1 0 412.965 3.051 50 10 HGCARO COc1cccc(O)c1C[N@H+]1CCC[C@@H](N2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000019228877 558853133 /nfs/dbraw/zinc/85/31/33/558853133.db2.gz TTXZETGYPVHLOM-LJQANCHMSA-N 1 0 412.530 3.441 50 10 HGCARO CCc1cc(C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000040019901 568609822 /nfs/dbraw/zinc/60/98/22/568609822.db2.gz CWWNJNDFMLHCTN-UHFFFAOYSA-N 1 0 401.595 3.382 50 10 HGCARO CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1 ZINC000008798854 571120462 /nfs/dbraw/zinc/12/04/62/571120462.db2.gz HEKWJGKMNKZMTA-JOCHJYFZSA-N 1 0 417.575 3.049 50 10 HGCARO Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1 ZINC000008799046 571120499 /nfs/dbraw/zinc/12/04/99/571120499.db2.gz UKZLEQMHYJHSLG-HSZRJFAPSA-N 1 0 413.587 3.493 50 10 HGCARO CCOc1ccc(NC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000004791573 132288717 /nfs/dbraw/zinc/28/87/17/132288717.db2.gz SZWCFDONZOYIQM-UHFFFAOYSA-N 1 0 412.534 3.428 50 10 HGCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3)[NH+]3CCCC3)ccc21 ZINC000009135594 536397498 /nfs/dbraw/zinc/39/74/98/536397498.db2.gz WPGARFJFHLDYOA-QFIPXVFZSA-N 1 0 424.520 3.100 50 10 HGCARO CCOc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(OC)cc3F)C2)cc1 ZINC000002965993 557777673 /nfs/dbraw/zinc/77/76/73/557777673.db2.gz YWGBHPUTEGBGFF-NRFANRHFSA-N 1 0 403.499 3.404 50 10 HGCARO CN1CCc2cc([C@H](CNC(=O)c3ccc(Cl)cc3)N3CC[NH+](C)CC3)ccc21 ZINC000022733592 557807534 /nfs/dbraw/zinc/80/75/34/557807534.db2.gz OWJYJXBZUBPQNN-QFIPXVFZSA-N 1 0 412.965 3.051 50 10 HGCARO Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1C ZINC000022733748 557807624 /nfs/dbraw/zinc/80/76/24/557807624.db2.gz ZZTJNTHLLYBNDR-DEOSSOPVSA-N 1 0 406.574 3.014 50 10 HGCARO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1C ZINC000004330588 558262257 /nfs/dbraw/zinc/26/22/57/558262257.db2.gz GJNCKXLODBAPCP-JOCHJYFZSA-N 1 0 408.546 3.261 50 10 HGCARO CC1(C)Oc2ccc(/C=C/C(=O)N3CCCCC3)c(O)c2[C@H]([NH+]2CCCCC2)[C@H]1O ZINC000005118969 559247459 /nfs/dbraw/zinc/24/74/59/559247459.db2.gz LTAZBMAAZPCUIX-KPVVVLSSSA-N 1 0 414.546 3.477 50 10 biogenic HGCARO CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000005349647 560571204 /nfs/dbraw/zinc/57/12/04/560571204.db2.gz MOBAYNZXIIPJHM-NRFANRHFSA-N 1 0 424.545 3.043 50 10 HGCARO CC[NH+]1CCN(CCCNC(=O)c2ccc(-n3c(C)cc4c3CCCC4)cc2)CC1 ZINC000020927718 568651521 /nfs/dbraw/zinc/65/15/21/568651521.db2.gz PJHODLXRMOEMHM-UHFFFAOYSA-N 1 0 408.590 3.422 50 10 HGCARO CN(C)c1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CC[NH+](C)CC2)cc1 ZINC000022589399 568771274 /nfs/dbraw/zinc/77/12/74/568771274.db2.gz PCHIDKASECONBV-KENPWYROSA-N 1 0 424.633 3.374 50 10 HGCARO COc1cc(OC)cc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1 ZINC000008963208 571190195 /nfs/dbraw/zinc/19/01/95/571190195.db2.gz DMJCRIKXPQCNKY-QHCPKHFHSA-N 1 0 409.530 3.263 50 10 HGCARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 ZINC000008964165 571190855 /nfs/dbraw/zinc/19/08/55/571190855.db2.gz JQTPAOYFPCKOGA-QFIPXVFZSA-N 1 0 420.557 3.188 50 10 HGCARO CCCCN1C(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)C(=O)NC1=S ZINC000009359584 571251356 /nfs/dbraw/zinc/25/13/56/571251356.db2.gz QIHYHZOXHGFGNY-NBVRZTHBSA-N 1 0 400.548 3.423 50 10 HGCARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+](C)C ZINC000009135426 132228609 /nfs/dbraw/zinc/22/86/09/132228609.db2.gz VYTXTFIJEQFSQL-NRFANRHFSA-N 1 0 408.546 3.043 50 10 HGCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc4ncccc43)CC2)cc1 ZINC000032765152 524424313 /nfs/dbraw/zinc/42/43/13/524424313.db2.gz XYRKPSFIONKVJI-UHFFFAOYSA-N 1 0 404.514 3.186 50 10 HGCARO Cc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000044910855 525134913 /nfs/dbraw/zinc/13/49/13/525134913.db2.gz SLTISFGJOQHRKK-UHFFFAOYSA-N 1 0 407.558 3.360 50 10 HGCARO Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1C ZINC000022733751 557807677 /nfs/dbraw/zinc/80/76/77/557807677.db2.gz ZZTJNTHLLYBNDR-XMMPIXPASA-N 1 0 406.574 3.014 50 10 HGCARO CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000004330694 558262601 /nfs/dbraw/zinc/26/26/01/558262601.db2.gz GOLKIDJECKLHOS-QFIPXVFZSA-N 1 0 424.545 3.043 50 10 HGCARO CC(NCCC[NH+](C)C)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000017747022 558827736 /nfs/dbraw/zinc/82/77/36/558827736.db2.gz SDMRAMFBDVZZRU-SDNWHVSQSA-N 1 0 411.453 3.377 50 10 HGCARO COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)CCOc4ccccc4)C3)CC2)cc1 ZINC000055211805 558876226 /nfs/dbraw/zinc/87/62/26/558876226.db2.gz ASOPUJDGHOQKGW-QFIPXVFZSA-N 1 0 423.557 3.277 50 10 HGCARO CC[N@H+](CCC(=O)Nc1cc(C)on1)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000058248936 558914850 /nfs/dbraw/zinc/91/48/50/558914850.db2.gz IAFMKPCPCKERFI-UHFFFAOYSA-N 1 0 400.523 3.449 50 10 HGCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)[NH+]2CCCC2)cc1 ZINC000005340797 560567735 /nfs/dbraw/zinc/56/77/35/560567735.db2.gz YXLZQQBHNVNLCJ-JOCHJYFZSA-N 1 0 412.578 3.012 50 10 HGCARO CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc4c(c3)CCCC4)[NH+](C)C)ccc21 ZINC000008800653 560639455 /nfs/dbraw/zinc/63/94/55/560639455.db2.gz IJRZCIZZVUXRJO-QHCPKHFHSA-N 1 0 413.587 3.139 50 10 HGCARO COc1ccc(N2CCN([C@H]3CC(=O)N(c4cccc5ccccc54)C3=O)CC2)cc1 ZINC000022028183 568764375 /nfs/dbraw/zinc/76/43/75/568764375.db2.gz UHAVPLRJRPQDRC-QHCPKHFHSA-N 1 0 415.493 3.303 50 10 HGCARO COc1ccc(N2CCN([C@@H](CNC(=O)c3cccs3)c3cccnc3)CC2)cc1 ZINC000056896144 568820957 /nfs/dbraw/zinc/82/09/57/568820957.db2.gz ZNFXRCZZTXAUOJ-NRFANRHFSA-N 1 0 422.554 3.445 50 10 HGCARO Oc1ccc(N2C[C@@](O)(c3ccc(Br)cc3)[N+]3=C2SCCC3)cc1 ZINC000004280249 568958662 /nfs/dbraw/zinc/95/86/62/568958662.db2.gz TZNFBCWLGIZAIZ-GOSISDBHSA-O 1 0 406.325 3.325 50 10 HGCARO COc1ccc(CCNC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1 ZINC000035597210 569045625 /nfs/dbraw/zinc/04/56/25/569045625.db2.gz VWJDETGVVSPVOK-DEOSSOPVSA-N 1 0 422.573 3.366 50 10 HGCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3)[NH+]3CCCCC3)ccc21 ZINC000013007997 569406765 /nfs/dbraw/zinc/40/67/65/569406765.db2.gz UCVVBXYPTIVXMJ-JOCHJYFZSA-N 1 0 424.520 3.100 50 10 HGCARO CN1CCc2cc([C@H](CNS(=O)(=O)Cc3ccc(F)cc3)[NH+]3CCCC3)ccc21 ZINC000008801123 571120752 /nfs/dbraw/zinc/12/07/52/571120752.db2.gz VHIHSFYSJVUQTM-QFIPXVFZSA-N 1 0 417.550 3.075 50 10 HGCARO COc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1 ZINC000008963404 571190330 /nfs/dbraw/zinc/19/03/30/571190330.db2.gz QIPRWANMPMNXAY-QHCPKHFHSA-N 1 0 409.530 3.020 50 10 HGCARO Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1 ZINC000008964193 571191084 /nfs/dbraw/zinc/19/10/84/571191084.db2.gz UIIIKFBGTCUHAL-QHCPKHFHSA-N 1 0 420.557 3.188 50 10 HGCARO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c1 ZINC000009135516 132336263 /nfs/dbraw/zinc/33/62/63/132336263.db2.gz IJMLJYWGGOVIIX-HSZRJFAPSA-N 1 0 420.557 3.269 50 10 HGCARO COc1cccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c1 ZINC000011613050 132348610 /nfs/dbraw/zinc/34/86/10/132348610.db2.gz VBCGVQCGRFSWQC-DEOSSOPVSA-N 1 0 423.557 3.410 50 10 HGCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3)[NH+]3CCCCC3)ccc21 ZINC000009138393 536397416 /nfs/dbraw/zinc/39/74/16/536397416.db2.gz CQRCEEHYQUBYJJ-QHCPKHFHSA-N 1 0 420.557 3.351 50 10 HGCARO COc1ccc(N2CC[N@H+](CCc3cc(OC)c(OC)c(OC)c3)C[C@@H]2C)cc1 ZINC000005336279 536697665 /nfs/dbraw/zinc/69/76/65/536697665.db2.gz OVOLWPCBVFFBNB-KRWDZBQOSA-N 1 0 400.519 3.474 50 10 HGCARO Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1 ZINC000004330655 558262615 /nfs/dbraw/zinc/26/26/15/558262615.db2.gz UORMODAVEQLWQK-QFIPXVFZSA-N 1 0 408.546 3.261 50 10 HGCARO COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4cccc5c4OCO5)C3)CC2)cc1 ZINC000022914513 558521076 /nfs/dbraw/zinc/52/10/76/558521076.db2.gz IJIFAXXQYQJBAN-NRFANRHFSA-N 1 0 409.530 3.211 50 10 HGCARO C[NH+](C)CCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000013555069 558540124 /nfs/dbraw/zinc/54/01/24/558540124.db2.gz XBJYQELRRYUWAK-BMRADRMJSA-N 1 0 405.527 3.472 50 10 HGCARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 ZINC000023214727 558542735 /nfs/dbraw/zinc/54/27/35/558542735.db2.gz QKHKHAIJTHOEGF-QHCPKHFHSA-N 1 0 423.557 3.268 50 10 HGCARO COC(=O)c1cc2ccccc2c(C[N@H+]2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1O ZINC000029539804 558716507 /nfs/dbraw/zinc/71/65/07/558716507.db2.gz DGIVGGJBMDBSMG-LJQANCHMSA-N 1 0 423.465 3.398 50 10 HGCARO CC(NCCC[NH+](C)C)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000100257019 559190368 /nfs/dbraw/zinc/19/03/68/559190368.db2.gz SDMRAMFBDVZZRU-KAMYIIQDSA-N 1 0 411.453 3.377 50 10 HGCARO Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3cc4c(cc3O)CCC4)CC2)cc1 ZINC000012850255 569010409 /nfs/dbraw/zinc/01/04/09/569010409.db2.gz YWRPJBVTLDWJDU-UHFFFAOYSA-N 1 0 400.544 3.086 50 10 HGCARO COc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=NC3(CC[NH+](C)CC3)N2)c1O ZINC000065298277 569219210 /nfs/dbraw/zinc/21/92/10/569219210.db2.gz WTXHCLXGPQROCL-GOSISDBHSA-N 1 0 409.486 3.075 50 10 biogenic HGCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3F)[NH+]3CCCCC3)ccc21 ZINC000013007980 569406864 /nfs/dbraw/zinc/40/68/64/569406864.db2.gz XLFHRRAGIQQMED-JOCHJYFZSA-N 1 0 424.520 3.100 50 10 HGCARO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1C ZINC000008964162 571190914 /nfs/dbraw/zinc/19/09/14/571190914.db2.gz JLEWJOUPNZCRQS-HSZRJFAPSA-N 1 0 420.557 3.188 50 10 HGCARO COc1ccc([C@@]2(O)C[N+](c3cc(OC)ccc3OC)=C3SCCCN32)c(F)c1 ZINC000002965898 557777609 /nfs/dbraw/zinc/77/76/09/557777609.db2.gz SNXZWCPMJJQPDJ-NRFANRHFSA-N 1 0 419.498 3.022 50 10 HGCARO CCOc1ccccc1CN1CC[N@H+](Cc2cccc(OCC)c2O)C[C@@H]1CCO ZINC000019740416 558261389 /nfs/dbraw/zinc/26/13/89/558261389.db2.gz JOKDJNFXYIZRRF-NRFANRHFSA-N 1 0 414.546 3.258 50 10 HGCARO CCCn1ncc(CN2CCC[C@H]([NH+]3CCN(c4ccc(OC)cc4)CC3)C2)c1C ZINC000020322317 558355285 /nfs/dbraw/zinc/35/52/85/558355285.db2.gz HDRUEAVMUVVGGN-QHCPKHFHSA-N 1 0 411.594 3.397 50 10 HGCARO CCOc1cccc(C[NH+]2CCC(c3nnc(SCCOC)n3C)CC2)c1O ZINC000014963214 558684823 /nfs/dbraw/zinc/68/48/23/558684823.db2.gz CNOKTUJASQXQHP-UHFFFAOYSA-N 1 0 406.552 3.038 50 10 HGCARO COc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4ccccc4F)CC3)CC2)cc1 ZINC000016606348 558796658 /nfs/dbraw/zinc/79/66/58/558796658.db2.gz XYKQOJTXCWEHHW-UHFFFAOYSA-N 1 0 411.521 3.395 50 10 HGCARO CC1(C)Oc2ccc(/C=C/C(=O)N3CCCCC3)c(O)c2[C@@H]([NH+]2CCCCC2)[C@H]1O ZINC000005118967 559247379 /nfs/dbraw/zinc/24/73/79/559247379.db2.gz LTAZBMAAZPCUIX-WYDOIBIDSA-N 1 0 414.546 3.477 50 10 biogenic HGCARO Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c1 ZINC000008798898 560638682 /nfs/dbraw/zinc/63/86/82/560638682.db2.gz JWBJGXBOZUVTOP-OAQYLSRUSA-N 1 0 401.576 3.267 50 10 HGCARO CCOc1ccccc1CN1CC[N@H+](Cc2cccc(OCC)c2O)C[C@H]1CCO ZINC000104310314 569008210 /nfs/dbraw/zinc/00/82/10/569008210.db2.gz JOKDJNFXYIZRRF-OAQYLSRUSA-N 1 0 414.546 3.258 50 10 HGCARO Cc1cccc(C[N@H+]2CC=C(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000064818034 569101270 /nfs/dbraw/zinc/10/12/70/569101270.db2.gz ZSHIVPUUZZDNSS-UHFFFAOYSA-N 1 0 405.542 3.280 50 10 HGCARO COCC[N@@H+](Cc1c([O-])ccc2ccc(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524731505 569212340 /nfs/dbraw/zinc/21/23/40/569212340.db2.gz AFEKFINJFJAMSQ-AZUAARDMSA-N 1 0 400.519 3.212 50 10 biogenic HGCARO O=C(COCCc1ccccc1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000089832414 569266881 /nfs/dbraw/zinc/26/68/81/569266881.db2.gz UXMZJAUBAASMLA-HXUWFJFHSA-N 1 0 402.922 3.386 50 10 HGCARO O=C(COCCc1ccccc1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000089832416 569266922 /nfs/dbraw/zinc/26/69/22/569266922.db2.gz UXMZJAUBAASMLA-FQEVSTJZSA-N 1 0 402.922 3.386 50 10 HGCARO CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(F)c3)[NH+]3CCCCC3)ccc21 ZINC000013008005 569406761 /nfs/dbraw/zinc/40/67/61/569406761.db2.gz PILRDTQUXIEKFN-QFIPXVFZSA-N 1 0 424.520 3.100 50 10 HGCARO CN1CCCc2cc([C@H](CNS(=O)(=O)c3cccc(F)c3)[NH+]3CCCC3)ccc21 ZINC000008799104 571120375 /nfs/dbraw/zinc/12/03/75/571120375.db2.gz IPNNOKQEPQWKCU-QFIPXVFZSA-N 1 0 417.550 3.324 50 10 HGCARO COc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 ZINC000008963399 571190456 /nfs/dbraw/zinc/19/04/56/571190456.db2.gz VQXGSYXURBMYOO-OAQYLSRUSA-N 1 0 409.530 3.020 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1 ZINC000009135501 132336293 /nfs/dbraw/zinc/33/62/93/132336293.db2.gz BVFRRBCKVCTGED-HSZRJFAPSA-N 1 0 420.557 3.269 50 10 HGCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000011853400 536697306 /nfs/dbraw/zinc/69/73/06/536697306.db2.gz DQQCFIWXZSESLV-UHFFFAOYSA-N 1 0 405.901 3.430 50 10 HGCARO CCOc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc(OC)cc3F)C2)cc1 ZINC000002965995 557777621 /nfs/dbraw/zinc/77/76/21/557777621.db2.gz YWGBHPUTEGBGFF-OAQYLSRUSA-N 1 0 403.499 3.404 50 10 HGCARO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1)c1cccc2cccnc21 ZINC000012302234 558371767 /nfs/dbraw/zinc/37/17/67/558371767.db2.gz IZMNSMJCBJJSCO-KRWDZBQOSA-N 1 0 411.527 3.131 50 10 HGCARO COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000005098960 559244687 /nfs/dbraw/zinc/24/46/87/559244687.db2.gz RUJBSJSWBYABMS-HXUWFJFHSA-N 1 0 417.575 3.185 50 10 HGCARO CCOc1ccc([C@@]2(O)C[N+](c3cc(OC)ccc3OC)=C3SCCCN32)cc1 ZINC000017307535 560707705 /nfs/dbraw/zinc/70/77/05/560707705.db2.gz HOWZFTJCBKEUNE-QFIPXVFZSA-N 1 0 415.535 3.273 50 10 HGCARO Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1C ZINC000008798843 571120412 /nfs/dbraw/zinc/12/04/12/571120412.db2.gz GGRCAKIKMQRAEL-JOCHJYFZSA-N 1 0 401.576 3.267 50 10 HGCARO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1C ZINC000008798842 571120437 /nfs/dbraw/zinc/12/04/37/571120437.db2.gz GGRCAKIKMQRAEL-QFIPXVFZSA-N 1 0 401.576 3.267 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1C ZINC000009135448 132228559 /nfs/dbraw/zinc/22/85/59/132228559.db2.gz USAVRKNHEPSOFK-QFIPXVFZSA-N 1 0 408.546 3.043 50 10 HGCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3F)[NH+]3CCCC3)ccc21 ZINC000009135578 132228588 /nfs/dbraw/zinc/22/85/88/132228588.db2.gz JAWRWPRYVSXNPO-JOCHJYFZSA-N 1 0 424.520 3.100 50 10 HGCARO CN1CCCc2cc(CNC(=O)c3ccc(C[N@H+](C)C4CCCCC4)[nH]c3=O)ccc21 ZINC000012456589 132360860 /nfs/dbraw/zinc/36/08/60/132360860.db2.gz KEUUNGKIBVZLIG-UHFFFAOYSA-N 1 0 422.573 3.452 50 10 HGCARO COc1ccc(N2CC[NH+](CCCNC(=O)COc3cccc(C)c3C)CC2)cc1 ZINC000032763985 524423502 /nfs/dbraw/zinc/42/35/02/524423502.db2.gz CTTPUJLDWQAKAB-UHFFFAOYSA-N 1 0 411.546 3.019 50 10 HGCARO COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc(OC)c(O)c4)C3)CC2)cc1 ZINC000020540514 524431266 /nfs/dbraw/zinc/43/12/66/524431266.db2.gz FAOOTGCMDDWOFG-OAQYLSRUSA-N 1 0 411.546 3.196 50 10 HGCARO COc1cccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c1O ZINC000020601089 525937958 /nfs/dbraw/zinc/93/79/58/525937958.db2.gz CLIYWGMDRAFQDF-HXUWFJFHSA-N 1 0 411.546 3.196 50 10 HGCARO CN1CCCc2cc([C@@H](CNS(=O)(=O)c3cccc(F)c3)[NH+]3CCCC3)ccc21 ZINC000008799099 571120368 /nfs/dbraw/zinc/12/03/68/571120368.db2.gz IPNNOKQEPQWKCU-JOCHJYFZSA-N 1 0 417.550 3.324 50 10 HGCARO Cc1cc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)ccc1F ZINC000008801061 571120744 /nfs/dbraw/zinc/12/07/44/571120744.db2.gz SAYKXEVEPWZLIY-JOCHJYFZSA-N 1 0 417.550 3.242 50 10 HGCARO CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(F)cc3)[NH+]3CCCCC3)ccc21 ZINC000008801572 571120748 /nfs/dbraw/zinc/12/07/48/571120748.db2.gz VWOGCRXTQNFYLH-JOCHJYFZSA-N 1 0 417.550 3.324 50 10 HGCARO Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1 ZINC000008801057 571120807 /nfs/dbraw/zinc/12/08/07/571120807.db2.gz VVNLKFLSYHBDFH-JOCHJYFZSA-N 1 0 413.587 3.411 50 10 HGCARO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1 ZINC000008801592 571120813 /nfs/dbraw/zinc/12/08/13/571120813.db2.gz YVPJDYVLUITWGM-QHCPKHFHSA-N 1 0 413.587 3.493 50 10 HGCARO CCOc1ccc(N2CC[NH+](CCCNC(=S)NC3CCCCC3)CC2)cc1 ZINC000005063858 535735560 /nfs/dbraw/zinc/73/55/60/535735560.db2.gz ZYHZKIXAKNVOQP-UHFFFAOYSA-N 1 0 404.624 3.394 50 10 HGCARO Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1 ZINC000004330516 558262352 /nfs/dbraw/zinc/26/23/52/558262352.db2.gz CIKPECMBKCDSAJ-JOCHJYFZSA-N 1 0 408.546 3.261 50 10 HGCARO CCN(CC)c1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)cc1 ZINC000020918830 558423473 /nfs/dbraw/zinc/42/34/73/558423473.db2.gz WVMAHSHEPRCBDB-SFHVURJKSA-N 1 0 412.582 3.016 50 10 HGCARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c(O)c1 ZINC000020992134 558426208 /nfs/dbraw/zinc/42/62/08/558426208.db2.gz CBUPTQRJUFOQDP-NRFANRHFSA-N 1 0 414.546 3.095 50 10 HGCARO COc1ccccc1C(=O)Nc1cccc(N2CCC([NH2+]CCn3ccnc3)CC2)c1 ZINC000015001770 558698188 /nfs/dbraw/zinc/69/81/88/558698188.db2.gz CVBLOZUKLMAALM-UHFFFAOYSA-N 1 0 419.529 3.403 50 10 HGCARO COc1ccc(N(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C(C)C)cc1F ZINC000058341225 558920381 /nfs/dbraw/zinc/92/03/81/558920381.db2.gz SVHAJYKUIYJXCV-UHFFFAOYSA-N 1 0 421.557 3.200 50 10 HGCARO COc1ccc(N2CC[NH+](CCCNC(=O)CSc3ccccc3C)CC2)cc1 ZINC000024088410 559190000 /nfs/dbraw/zinc/19/00/00/559190000.db2.gz QHIAOJKKEHXNLA-UHFFFAOYSA-N 1 0 413.587 3.424 50 10 HGCARO COc1ccccc1[N+]1=C2SCCCN2[C@@](O)(c2ccc(OC(F)F)cc2)C1 ZINC000003236910 568847749 /nfs/dbraw/zinc/84/77/49/568847749.db2.gz WMDLYZCLASGEIZ-FQEVSTJZSA-N 1 0 407.462 3.467 50 10 HGCARO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1 ZINC000013007893 569406757 /nfs/dbraw/zinc/40/67/57/569406757.db2.gz RMHQLYJOUPPOIO-QHCPKHFHSA-N 1 0 420.557 3.269 50 10 HGCARO COc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1 ZINC000013007844 569406842 /nfs/dbraw/zinc/40/68/42/569406842.db2.gz VHRHXGNRIOEQRF-XMMPIXPASA-N 1 0 423.557 3.410 50 10 HGCARO O=C(Nc1ccc(F)cc1)c1coc(CN2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC000034678046 557365928 /nfs/dbraw/zinc/36/59/28/557365928.db2.gz SBWHLFFXTNBBJF-UHFFFAOYSA-N 1 0 410.449 3.089 50 10 HGCARO COc1ccc(C[NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)cc1Cn1cncn1 ZINC000019794592 558283992 /nfs/dbraw/zinc/28/39/92/558283992.db2.gz GGXYSMKXBGUHBI-QHCPKHFHSA-N 1 0 417.557 3.056 50 10 HGCARO COc1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3F)C2)cc1Cn1cncn1 ZINC000023375325 558554961 /nfs/dbraw/zinc/55/49/61/558554961.db2.gz YAOPMKKVUUVRBR-NRFANRHFSA-N 1 0 409.509 3.228 50 10 HGCARO COc1ccc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C(C)C ZINC000067601914 558987702 /nfs/dbraw/zinc/98/77/02/558987702.db2.gz IEABPGFFOXOVEM-UHFFFAOYSA-N 1 0 417.575 3.049 50 10 HGCARO Cc1ccc(F)c(NC(=O)c2coc(CN3CC[NH+](Cc4ccccc4O)CC3)n2)c1 ZINC000034678206 569292530 /nfs/dbraw/zinc/29/25/30/569292530.db2.gz CDRVDARIBUTLEV-UHFFFAOYSA-N 1 0 424.476 3.398 50 10 HGCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(F)c3)[NH+]3CCCCC3)ccc21 ZINC000013008002 569406818 /nfs/dbraw/zinc/40/68/18/569406818.db2.gz PILRDTQUXIEKFN-JOCHJYFZSA-N 1 0 424.520 3.100 50 10 HGCARO CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(Cl)cc3)[NH+]3CCCC3)ccc21 ZINC000008801001 571120515 /nfs/dbraw/zinc/12/05/15/571120515.db2.gz IBFXVIBSEPSBEF-NRFANRHFSA-N 1 0 419.978 3.448 50 10 HGCARO COc1ccc(N2CCN([C@H]3CCC[N@@H+](C4CSCCSC4)C3)CC2)cc1 ZINC000020539970 524433365 /nfs/dbraw/zinc/43/33/65/524433365.db2.gz ODCQUVIOWBNQDP-IBGZPJMESA-N 1 0 407.649 3.130 50 10 HGCARO Cc1ccccc1N1C(=O)C(=CNCC[NH+](C)C)C(=O)N(c2ccccc2C)C1=S ZINC000019995227 525218978 /nfs/dbraw/zinc/21/89/78/525218978.db2.gz MAADXRNCRSDOBU-UHFFFAOYSA-N 1 0 422.554 3.003 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1Cl ZINC000004330484 558262361 /nfs/dbraw/zinc/26/23/61/558262361.db2.gz ATSVVVQEMAXPGA-IBGZPJMESA-N 1 0 402.926 3.072 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1C ZINC000004330633 558262546 /nfs/dbraw/zinc/26/25/46/558262546.db2.gz YSTARAYNHNGFNR-JOCHJYFZSA-N 1 0 408.546 3.261 50 10 HGCARO CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccccc1O)CC2 ZINC000012184822 558344523 /nfs/dbraw/zinc/34/45/23/558344523.db2.gz FLMVCIGUARIARS-SFHVURJKSA-N 1 0 423.517 3.152 50 10 HGCARO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000020906534 558421150 /nfs/dbraw/zinc/42/11/50/558421150.db2.gz BFELIELXCCFTKN-HXUWFJFHSA-N 1 0 411.546 3.196 50 10 HGCARO COc1cccc(O)c1C[N@H+]1CCC[C@H](N2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000019228879 558853249 /nfs/dbraw/zinc/85/32/49/558853249.db2.gz TTXZETGYPVHLOM-IBGZPJMESA-N 1 0 412.530 3.441 50 10 HGCARO CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2Cl)N2CC[NH+](C)CC2)cc1 ZINC000022417339 558990734 /nfs/dbraw/zinc/99/07/34/558990734.db2.gz BUZPKHKICMXFTO-OAQYLSRUSA-N 1 0 400.954 3.125 50 10 HGCARO COc1ccc(N2CCN([C@H](CNC(=O)c3cccs3)c3cccnc3)CC2)cc1 ZINC000056896147 568820962 /nfs/dbraw/zinc/82/09/62/568820962.db2.gz ZNFXRCZZTXAUOJ-OAQYLSRUSA-N 1 0 422.554 3.445 50 10 HGCARO O[C@]1(c2ccc3c(c2)OCCO3)CN(c2ccc(Cl)cc2)C2=[N+]1CCCS2 ZINC000004086800 568940614 /nfs/dbraw/zinc/94/06/14/568940614.db2.gz JOWFNOIOCIDRCZ-FQEVSTJZSA-N 1 0 403.911 3.282 50 10 HGCARO CN1CCCc2cc([C@@H](CNC(=O)c3ccc4c(c3)OCO4)[NH+]3CCCC3)ccc21 ZINC000013008252 569406753 /nfs/dbraw/zinc/40/67/53/569406753.db2.gz TZRWMHOXFPFPNK-OAQYLSRUSA-N 1 0 407.514 3.365 50 10 HGCARO Cc1cc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)ccc1F ZINC000008801060 571120708 /nfs/dbraw/zinc/12/07/08/571120708.db2.gz SAYKXEVEPWZLIY-QFIPXVFZSA-N 1 0 417.550 3.242 50 10 HGCARO CN1CCc2cc([C@@H](CNC(=O)c3cc4ccccc4oc3=O)[NH+]3CCCC3)ccc21 ZINC000008963313 571190389 /nfs/dbraw/zinc/19/03/89/571190389.db2.gz HLFXULCZPRYFLS-JOCHJYFZSA-N 1 0 417.509 3.352 50 10 HGCARO O=C(NCc1ccc(N2CCOCC2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000044910892 526682196 /nfs/dbraw/zinc/68/21/96/526682196.db2.gz YLKFXFVKVAUYJT-UHFFFAOYSA-N 1 0 411.521 3.191 50 10 HGCARO CN(C)c1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccccn4)O3)CC2)cc1 ZINC000012338093 558385717 /nfs/dbraw/zinc/38/57/17/558385717.db2.gz GTZMJHHPGRMHQI-OAQYLSRUSA-N 1 0 408.546 3.091 50 10 HGCARO CCN1C(=O)N(CCC(C)C)C2(CC[NH+](Cc3cccc(OC)c3O)CC2)C1=O ZINC000014745401 558668947 /nfs/dbraw/zinc/66/89/47/558668947.db2.gz QXNSZOKRXVOPEM-UHFFFAOYSA-N 1 0 403.523 3.066 50 10 HGCARO CC1N=[N+]([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccc(Oc2ccccc2)cc1 ZINC000340847645 560540194 /nfs/dbraw/zinc/54/01/94/560540194.db2.gz NLCGALQKSVWEPP-KRWDZBQOSA-N 1 0 411.483 3.018 50 10 HGCARO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc(Br)ccc1O ZINC000096009173 568683395 /nfs/dbraw/zinc/68/33/95/568683395.db2.gz XDWLCSSIQPQFCB-CXAGYDPISA-N 1 0 401.370 3.013 50 10 HGCARO COc1ccccc1[N+]1=C2SCCCN2[C@](O)(c2ccc(OC(F)F)cc2)C1 ZINC000003236911 568847824 /nfs/dbraw/zinc/84/78/24/568847824.db2.gz WMDLYZCLASGEIZ-HXUWFJFHSA-N 1 0 407.462 3.467 50 10 HGCARO CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)[NH+]3CCCC3)ccc21 ZINC000008801000 571120478 /nfs/dbraw/zinc/12/04/78/571120478.db2.gz IBFXVIBSEPSBEF-OAQYLSRUSA-N 1 0 419.978 3.448 50 10 HGCARO COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c(OC)c1 ZINC000008963363 571190356 /nfs/dbraw/zinc/19/03/56/571190356.db2.gz DJLZXVHZGJSZCY-JOCHJYFZSA-N 1 0 409.530 3.263 50 10 HGCARO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c1C ZINC000009135422 132228513 /nfs/dbraw/zinc/22/85/13/132228513.db2.gz OOBTZKLNEXIBPN-QFIPXVFZSA-N 1 0 408.546 3.043 50 10 HGCARO CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000004330560 558262343 /nfs/dbraw/zinc/26/23/43/558262343.db2.gz RYRWKNNBEMUKLV-QFIPXVFZSA-N 1 0 408.546 3.207 50 10 HGCARO COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)NCc4ccccc4)C3)CC2)cc1 ZINC000055281485 558878398 /nfs/dbraw/zinc/87/83/98/558878398.db2.gz VGDHPUNKXUFLAM-JOCHJYFZSA-N 1 0 408.546 3.191 50 10 HGCARO COc1ccc(N2CC[NH+](C[C@H](O)COC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000023114558 559012674 /nfs/dbraw/zinc/01/26/74/559012674.db2.gz PZUSFRIBRFPPFL-GAWOJFTKSA-N 1 0 400.563 3.164 50 10 HGCARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1F ZINC000005098964 559244675 /nfs/dbraw/zinc/24/46/75/559244675.db2.gz YYCBRYMMDCGUEJ-FQEVSTJZSA-N 1 0 421.538 3.016 50 10 HGCARO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cc(Br)ccc1O ZINC000096009174 568683527 /nfs/dbraw/zinc/68/35/27/568683527.db2.gz XDWLCSSIQPQFCB-GUYCJALGSA-N 1 0 401.370 3.013 50 10 HGCARO COc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1 ZINC000013008259 569406860 /nfs/dbraw/zinc/40/68/60/569406860.db2.gz FFZVDRPHQDWHTE-QFIPXVFZSA-N 1 0 423.557 3.410 50 10 HGCARO CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(F)cc3F)[NH+]3CCCC3)ccc21 ZINC000008801036 571120539 /nfs/dbraw/zinc/12/05/39/571120539.db2.gz FVNYBRCDPWRPBI-HXUWFJFHSA-N 1 0 421.513 3.073 50 10 HGCARO COc1cccc(OC)c1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 ZINC000008963247 571190520 /nfs/dbraw/zinc/19/05/20/571190520.db2.gz KVTQSTUWZDTKGG-HXUWFJFHSA-N 1 0 409.530 3.263 50 10 HGCARO COC(=O)C=C1NN(c2ccccc2)C([O-])=C1C(C)=[NH+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000001432918 557262684 /nfs/dbraw/zinc/26/26/84/557262684.db2.gz ZPPFOUZRSLCNNR-HKWRFOASSA-N 1 0 412.534 3.125 50 10 HGCARO COc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000002965942 557777650 /nfs/dbraw/zinc/77/76/50/557777650.db2.gz BBBGUDKQMQBMNI-HXUWFJFHSA-N 1 0 407.462 3.467 50 10 HGCARO CN1CCc2cc([C@H](CNC(=O)c3cccc(Cl)c3)N3CC[NH+](C)CC3)ccc21 ZINC000022733741 557807555 /nfs/dbraw/zinc/80/75/55/557807555.db2.gz ZXHPZNDIDWYFQW-QFIPXVFZSA-N 1 0 412.965 3.051 50 10 HGCARO CN1CCc2cc([C@@H](CNC(=O)c3cccc(Cl)c3)N3CC[NH+](C)CC3)ccc21 ZINC000022733745 557807688 /nfs/dbraw/zinc/80/76/88/557807688.db2.gz ZXHPZNDIDWYFQW-JOCHJYFZSA-N 1 0 412.965 3.051 50 10 HGCARO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1C ZINC000004330581 558262276 /nfs/dbraw/zinc/26/22/76/558262276.db2.gz GJNCKXLODBAPCP-QFIPXVFZSA-N 1 0 408.546 3.261 50 10 HGCARO Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000004330488 558262365 /nfs/dbraw/zinc/26/23/65/558262365.db2.gz NRRNKDMDJBWQOG-IBGZPJMESA-N 1 0 402.926 3.072 50 10 HGCARO COc1ccc(C[NH2+][C@@H]2CCCN(C3Cc4ccccc4C3)C2)cc1Cn1cncn1 ZINC000019794591 558283892 /nfs/dbraw/zinc/28/38/92/558283892.db2.gz GGXYSMKXBGUHBI-HSZRJFAPSA-N 1 0 417.557 3.056 50 10 HGCARO COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC000011964473 558304102 /nfs/dbraw/zinc/30/41/02/558304102.db2.gz NPNXUVVYSWMQKG-FQEVSTJZSA-N 1 0 424.541 3.370 50 10 HGCARO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c1 ZINC000012315551 558378835 /nfs/dbraw/zinc/37/88/35/558378835.db2.gz FLYKXSININFVOM-QGZVFWFLSA-N 1 0 406.486 3.437 50 10 HGCARO CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000005098971 559244704 /nfs/dbraw/zinc/24/47/04/559244704.db2.gz UXRABPCWIHASIC-JOCHJYFZSA-N 1 0 417.575 3.267 50 10 HGCARO COC(=O)c1ccc(-n2c(C)cc([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c2C)cc1 ZINC000012619542 568872433 /nfs/dbraw/zinc/87/24/33/568872433.db2.gz OUGIDVRHKJHYPC-FQEVSTJZSA-N 1 0 414.469 3.327 50 10 HGCARO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1 ZINC000013007890 569406769 /nfs/dbraw/zinc/40/67/69/569406769.db2.gz RMHQLYJOUPPOIO-HSZRJFAPSA-N 1 0 420.557 3.269 50 10 HGCARO COc1cccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1 ZINC000013007838 569406771 /nfs/dbraw/zinc/40/67/71/569406771.db2.gz SALIUHICUXTKKI-XMMPIXPASA-N 1 0 423.557 3.410 50 10 HGCARO Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c1 ZINC000013008551 569407002 /nfs/dbraw/zinc/40/70/02/569407002.db2.gz UEMXWMLKGGXMLM-JOCHJYFZSA-N 1 0 408.546 3.043 50 10 HGCARO Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c1 ZINC000009135455 132228536 /nfs/dbraw/zinc/22/85/36/132228536.db2.gz SWQLGAZNESACHZ-JOCHJYFZSA-N 1 0 408.546 3.043 50 10 HGCARO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c(O)c1 ZINC000020599938 524028350 /nfs/dbraw/zinc/02/83/50/524028350.db2.gz WDGGTMDKIMEUFE-HXUWFJFHSA-N 1 0 411.546 3.196 50 10 HGCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(C)nc4ccccc43)CC2)cc1 ZINC000032763896 524424792 /nfs/dbraw/zinc/42/47/92/524424792.db2.gz RZTHSHPHYYXQGE-UHFFFAOYSA-N 1 0 418.541 3.494 50 10 HGCARO COc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)cc1Cn1cncn1 ZINC000023375324 558554755 /nfs/dbraw/zinc/55/47/55/558554755.db2.gz YAOPMKKVUUVRBR-OAQYLSRUSA-N 1 0 409.509 3.228 50 10 HGCARO Cc1ccccc1C[N@H+]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000059384427 558935028 /nfs/dbraw/zinc/93/50/28/558935028.db2.gz GMTDIMXYDMWHQJ-UHFFFAOYSA-N 1 0 408.590 3.227 50 10 HGCARO Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1 ZINC000013008114 569406777 /nfs/dbraw/zinc/40/67/77/569406777.db2.gz AOBCJGQLHGVIDU-HSZRJFAPSA-N 1 0 420.557 3.269 50 10 HGCARO CN1CCc2cc([C@@H](CNS(=O)(=O)Cc3ccc(F)cc3)[NH+]3CCCC3)ccc21 ZINC000008801122 571120703 /nfs/dbraw/zinc/12/07/03/571120703.db2.gz VHIHSFYSJVUQTM-JOCHJYFZSA-N 1 0 417.550 3.075 50 10 HGCARO COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c(OC)c1 ZINC000008963364 571190443 /nfs/dbraw/zinc/19/04/43/571190443.db2.gz DJLZXVHZGJSZCY-QFIPXVFZSA-N 1 0 409.530 3.263 50 10 HGCARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 ZINC000008964166 571190680 /nfs/dbraw/zinc/19/06/80/571190680.db2.gz JQTPAOYFPCKOGA-JOCHJYFZSA-N 1 0 420.557 3.188 50 10 HGCARO CCOc1ccc([N+]2=C3SCCCN3[C@](O)(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000002965987 557777678 /nfs/dbraw/zinc/77/76/78/557777678.db2.gz FCBOKRGGWKMASQ-HXUWFJFHSA-N 1 0 400.480 3.164 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1Cl ZINC000004330486 558262290 /nfs/dbraw/zinc/26/22/90/558262290.db2.gz ATSVVVQEMAXPGA-LJQANCHMSA-N 1 0 402.926 3.072 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c(C)c1 ZINC000004330638 558262540 /nfs/dbraw/zinc/26/25/40/558262540.db2.gz NZUFZEKIJKUPCB-QFIPXVFZSA-N 1 0 408.546 3.261 50 10 HGCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000004330610 558262595 /nfs/dbraw/zinc/26/25/95/558262595.db2.gz WABRMFDHENTYMQ-FQEVSTJZSA-N 1 0 414.937 3.298 50 10 HGCARO COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4cc(CC(C)C)n[nH]4)C3)CC2)cc1 ZINC000020999390 558427842 /nfs/dbraw/zinc/42/78/42/558427842.db2.gz MBMQWKHRUPGWKQ-HSZRJFAPSA-N 1 0 411.594 3.403 50 10 HGCARO C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000015930193 558762551 /nfs/dbraw/zinc/76/25/51/558762551.db2.gz XWYGQPITEXYHRX-SDNWHVSQSA-N 1 0 409.437 3.083 50 10 HGCARO CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000005098970 559244720 /nfs/dbraw/zinc/24/47/20/559244720.db2.gz UXRABPCWIHASIC-QFIPXVFZSA-N 1 0 417.575 3.267 50 10 HGCARO O=C1C[C@H]([NH2+]CCCN2CCOCC2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000100712864 559259465 /nfs/dbraw/zinc/25/94/65/559259465.db2.gz DGPKHVBKAVUMDY-WTVYTQLBSA-N 1 0 421.501 3.046 50 10 HGCARO CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)N2CC[NH+](C)CC2)cc1 ZINC000022589224 568770886 /nfs/dbraw/zinc/77/08/86/568770886.db2.gz VTEXCIBGLSUDSD-OAQYLSRUSA-N 1 0 400.954 3.125 50 10 HGCARO CN1CCCc2cc([C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)[NH+](C)C)ccc21 ZINC000008798828 571120546 /nfs/dbraw/zinc/12/05/46/571120546.db2.gz HFLGLGLPZJFRFN-HXUWFJFHSA-N 1 0 407.967 3.304 50 10 HGCARO CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc4c(c3)CCCC4)[NH+](C)C)ccc21 ZINC000008800651 571120549 /nfs/dbraw/zinc/12/05/49/571120549.db2.gz IJRZCIZZVUXRJO-HSZRJFAPSA-N 1 0 413.587 3.139 50 10 HGCARO Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1 ZINC000008964055 571190754 /nfs/dbraw/zinc/19/07/54/571190754.db2.gz QABLHNCQTAYYIU-QHCPKHFHSA-N 1 0 420.557 3.188 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1C ZINC000008964188 571191126 /nfs/dbraw/zinc/19/11/26/571191126.db2.gz PFTANCMGMNQIOA-HSZRJFAPSA-N 1 0 420.557 3.188 50 10 HGCARO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c1C ZINC000009135423 132228547 /nfs/dbraw/zinc/22/85/47/132228547.db2.gz OOBTZKLNEXIBPN-JOCHJYFZSA-N 1 0 408.546 3.043 50 10 HGCARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC000004560640 132278565 /nfs/dbraw/zinc/27/85/65/132278565.db2.gz NCZWTLLZOLJPEL-UHFFFAOYSA-N 1 0 423.557 3.352 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1 ZINC000009135500 132336214 /nfs/dbraw/zinc/33/62/14/132336214.db2.gz BVFRRBCKVCTGED-QHCPKHFHSA-N 1 0 420.557 3.269 50 10 HGCARO CN1CCCc2cc([C@H](CNC(=O)c3ccc(Br)o3)[NH+](C)C)ccc21 ZINC000023858355 559181259 /nfs/dbraw/zinc/18/12/59/559181259.db2.gz VDVHODBHJRZURO-INIZCTEOSA-N 1 0 406.324 3.457 50 10 HGCARO CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Br)o3)[NH+](C)C)ccc21 ZINC000023858357 559181267 /nfs/dbraw/zinc/18/12/67/559181267.db2.gz VDVHODBHJRZURO-MRXNPFEDSA-N 1 0 406.324 3.457 50 10 HGCARO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005340556 560567586 /nfs/dbraw/zinc/56/75/86/560567586.db2.gz FGXIEJAYYCYYKU-IBGZPJMESA-N 1 0 402.926 3.072 50 10 HGCARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000005341056 560567762 /nfs/dbraw/zinc/56/77/62/560567762.db2.gz HKGNXVNZRMONIF-OAQYLSRUSA-N 1 0 408.546 3.261 50 10 HGCARO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022589139 568770915 /nfs/dbraw/zinc/77/09/15/568770915.db2.gz HWBYAOVXWCVIMQ-JOCHJYFZSA-N 1 0 414.981 3.053 50 10 HGCARO CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022589132 568771000 /nfs/dbraw/zinc/77/10/00/568771000.db2.gz HWBYAOVXWCVIMQ-QFIPXVFZSA-N 1 0 414.981 3.053 50 10 HGCARO CN1CCCc2cc([C@H](CNS(=O)(=O)c3ccccc3Cl)[NH+](C)C)ccc21 ZINC000008798797 571120336 /nfs/dbraw/zinc/12/03/36/571120336.db2.gz IRORSHBQTMHVGJ-IBGZPJMESA-N 1 0 407.967 3.304 50 10 HGCARO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c(C)c1 ZINC000008801014 571120486 /nfs/dbraw/zinc/12/04/86/571120486.db2.gz ANYNRVZVBICCAA-QFIPXVFZSA-N 1 0 413.587 3.411 50 10 HGCARO Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1 ZINC000008964056 571190821 /nfs/dbraw/zinc/19/08/21/571190821.db2.gz QABLHNCQTAYYIU-HSZRJFAPSA-N 1 0 420.557 3.188 50 10 HGCARO Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c(C)c1 ZINC000009135429 132228605 /nfs/dbraw/zinc/22/86/05/132228605.db2.gz DARRGTJWMBBTEL-JOCHJYFZSA-N 1 0 422.573 3.352 50 10 HGCARO C[NH+](C)CCCNc1cc(N2CCCCC2)c(N)c2c1C(=O)c1ccccc1C2=O ZINC000006661233 132312713 /nfs/dbraw/zinc/31/27/13/132312713.db2.gz OLDOQGFMCWRVDO-UHFFFAOYSA-N 1 0 406.530 3.398 50 10 HGCARO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c1 ZINC000009135515 132336280 /nfs/dbraw/zinc/33/62/80/132336280.db2.gz IJMLJYWGGOVIIX-QHCPKHFHSA-N 1 0 420.557 3.269 50 10 HGCARO COc1ccc(O)c(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000020906536 558421055 /nfs/dbraw/zinc/42/10/55/558421055.db2.gz BFELIELXCCFTKN-FQEVSTJZSA-N 1 0 411.546 3.196 50 10 HGCARO COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4cccc5c4OCO5)C3)CC2)cc1 ZINC000022914507 558521113 /nfs/dbraw/zinc/52/11/13/558521113.db2.gz IJIFAXXQYQJBAN-OAQYLSRUSA-N 1 0 409.530 3.211 50 10 HGCARO O[C@@]1(c2ccc3c(c2)OCCO3)CN(c2ccc(Cl)cc2)C2=[N+]1CCCS2 ZINC000004086799 568940465 /nfs/dbraw/zinc/94/04/65/568940465.db2.gz JOWFNOIOCIDRCZ-HXUWFJFHSA-N 1 0 403.911 3.282 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1F ZINC000008964115 571190644 /nfs/dbraw/zinc/19/06/44/571190644.db2.gz FTFDJNFLSHBVHP-QFIPXVFZSA-N 1 0 424.520 3.018 50 10 HGCARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CN1Cc1ccc(Cl)cc1 ZINC000020600886 521745035 /nfs/dbraw/zinc/74/50/35/521745035.db2.gz FHXHWOHZFFBLSQ-UNMCSNQZSA-N 1 0 414.981 3.275 50 10 HGCARO COc1ccc(N2CC[NH+](C[C@@H](O)COCC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000023115038 536697861 /nfs/dbraw/zinc/69/78/61/536697861.db2.gz UYQPMEDXEJQYRZ-ZFDSFTMVSA-N 1 0 414.590 3.411 50 10 HGCARO COc1cccc(C[NH+]2CCC(N(C(C)=O)c3ccc(OC)c(OC)c3)CC2)c1O ZINC000034683245 557386264 /nfs/dbraw/zinc/38/62/64/557386264.db2.gz WPKRZFQSQSNHEH-UHFFFAOYSA-N 1 0 414.502 3.436 50 10 HGCARO COc1ccc([C@]2(O)C[N+](c3cc(OC)ccc3OC)=C3SCCCN32)c(F)c1 ZINC000002965899 557777670 /nfs/dbraw/zinc/77/76/70/557777670.db2.gz SNXZWCPMJJQPDJ-OAQYLSRUSA-N 1 0 419.498 3.022 50 10 HGCARO COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCc3ccccc3OC)CC2)c(O)c1 ZINC000011881138 558295117 /nfs/dbraw/zinc/29/51/17/558295117.db2.gz HPGPPIRVRWNCEN-OAQYLSRUSA-N 1 0 424.541 3.370 50 10 HGCARO CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000005349666 560571253 /nfs/dbraw/zinc/57/12/53/560571253.db2.gz MOBAYNZXIIPJHM-OAQYLSRUSA-N 1 0 424.545 3.043 50 10 HGCARO COc1ccc(CCN(C)C(=O)C2CC[NH+](Cc3ccccc3O)CC2)cc1OC ZINC000004590592 569255579 /nfs/dbraw/zinc/25/55/79/569255579.db2.gz UDWZGWXSSACDIR-UHFFFAOYSA-N 1 0 412.530 3.323 50 10 HGCARO CN1CCCc2cc([C@H](CNC(=O)c3cc4ccccc4oc3=O)[NH+](C)C)ccc21 ZINC000013008178 569406882 /nfs/dbraw/zinc/40/68/82/569406882.db2.gz KAWIDRWOILDCNT-NRFANRHFSA-N 1 0 405.498 3.208 50 10 HGCARO Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c1 ZINC000013008549 569407010 /nfs/dbraw/zinc/40/70/10/569407010.db2.gz UEMXWMLKGGXMLM-QFIPXVFZSA-N 1 0 408.546 3.043 50 10 HGCARO CCc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)s1 ZINC000008798866 571120558 /nfs/dbraw/zinc/12/05/58/571120558.db2.gz BFWIYGIBMKISRV-IBGZPJMESA-N 1 0 407.605 3.274 50 10 HGCARO COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC000011964471 558304069 /nfs/dbraw/zinc/30/40/69/558304069.db2.gz NPNXUVVYSWMQKG-HXUWFJFHSA-N 1 0 424.541 3.370 50 10 HGCARO CCN(CC)c1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)cc1 ZINC000020918822 558423397 /nfs/dbraw/zinc/42/33/97/558423397.db2.gz WVMAHSHEPRCBDB-GOSISDBHSA-N 1 0 412.582 3.016 50 10 HGCARO CCN1C(=O)N(CCC(C)C)C2(CC[NH+](Cc3cc(OC)ccc3O)CC2)C1=O ZINC000014751975 558671143 /nfs/dbraw/zinc/67/11/43/558671143.db2.gz IYELZZGXIWHQBW-UHFFFAOYSA-N 1 0 403.523 3.066 50 10 HGCARO O=C([C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1ccccc1O)N1CCOCC1 ZINC000014976392 558689463 /nfs/dbraw/zinc/68/94/63/558689463.db2.gz CJDWLDBEOIFGPX-UXHICEINSA-N 1 0 416.518 3.125 50 10 HGCARO COC(=O)c1cc2ccccc2c(C[N@H+]2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c1O ZINC000029539805 558716581 /nfs/dbraw/zinc/71/65/81/558716581.db2.gz DGIVGGJBMDBSMG-IBGZPJMESA-N 1 0 423.465 3.398 50 10 HGCARO COc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1OC ZINC000005098073 559245287 /nfs/dbraw/zinc/24/52/87/559245287.db2.gz KJYFLRXQAWHHRO-OAQYLSRUSA-N 1 0 411.546 3.266 50 10 HGCARO COc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1OC ZINC000005098075 559245310 /nfs/dbraw/zinc/24/53/10/559245310.db2.gz KJYFLRXQAWHHRO-NRFANRHFSA-N 1 0 411.546 3.266 50 10 HGCARO COc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1 ZINC000013007835 569406790 /nfs/dbraw/zinc/40/67/90/569406790.db2.gz WURABHNYIJVMHI-QFIPXVFZSA-N 1 0 423.557 3.410 50 10 HGCARO COc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1 ZINC000013008266 569406803 /nfs/dbraw/zinc/40/68/03/569406803.db2.gz GMEFBCRMSOUVIX-DEOSSOPVSA-N 1 0 423.557 3.410 50 10 HGCARO Cc1cc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)ccc1F ZINC000008798901 571120309 /nfs/dbraw/zinc/12/03/09/571120309.db2.gz UKEDQRPAPFURNN-NRFANRHFSA-N 1 0 405.539 3.098 50 10 HGCARO CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1 ZINC000008798853 571120455 /nfs/dbraw/zinc/12/04/55/571120455.db2.gz HEKWJGKMNKZMTA-QFIPXVFZSA-N 1 0 417.575 3.049 50 10 HGCARO Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000040151638 571199484 /nfs/dbraw/zinc/19/94/84/571199484.db2.gz DPECWWYEHKLZJD-UHFFFAOYSA-N 1 0 403.530 3.171 50 10 HGCARO COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc(OC)c(O)c4)C3)CC2)cc1 ZINC000020540516 524433688 /nfs/dbraw/zinc/43/36/88/524433688.db2.gz FAOOTGCMDDWOFG-NRFANRHFSA-N 1 0 411.546 3.196 50 10 HGCARO COc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000002965940 557777660 /nfs/dbraw/zinc/77/76/60/557777660.db2.gz BBBGUDKQMQBMNI-FQEVSTJZSA-N 1 0 407.462 3.467 50 10 HGCARO Cc1cc(CN2CCN(CC[NH+]3CCCC3)CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000022812422 557829332 /nfs/dbraw/zinc/82/93/32/557829332.db2.gz GKCWKQODWMZBLP-UHFFFAOYSA-N 1 0 410.562 3.036 50 10 HGCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000004330496 558262263 /nfs/dbraw/zinc/26/22/63/558262263.db2.gz WCAFJEKFPGYCAD-HXUWFJFHSA-N 1 0 414.937 3.298 50 10 HGCARO CCCn1ncc(CN2CCC[C@@H]([NH+]3CCN(c4ccc(OC)cc4)CC3)C2)c1C ZINC000020322310 558355270 /nfs/dbraw/zinc/35/52/70/558355270.db2.gz HDRUEAVMUVVGGN-HSZRJFAPSA-N 1 0 411.594 3.397 50 10 HGCARO COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)c4ccccc4N(C)C)C3)CC2)cc1 ZINC000055099984 558872326 /nfs/dbraw/zinc/87/23/26/558872326.db2.gz QCLISXQLYLSPEQ-OAQYLSRUSA-N 1 0 422.573 3.188 50 10 HGCARO CN(C)c1ccc([C@@H](CNS(=O)(=O)CCc2ccccc2)[NH+]2CCCC2)cc1 ZINC000005099021 559244722 /nfs/dbraw/zinc/24/47/22/559244722.db2.gz JWNPIWMODXYZTH-JOCHJYFZSA-N 1 0 401.576 3.052 50 10 HGCARO CC1(C)Oc2ccc(/C=C/C(=O)N3CCCCC3)c(O)c2[C@H]([NH+]2CCCCC2)[C@@H]1O ZINC000005118973 559247465 /nfs/dbraw/zinc/24/74/65/559247465.db2.gz LTAZBMAAZPCUIX-NUACWBKLSA-N 1 0 414.546 3.477 50 10 biogenic HGCARO CC1N=[N+]([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccc(Oc2ccccc2)cc1 ZINC000340847669 560540187 /nfs/dbraw/zinc/54/01/87/560540187.db2.gz NLCGALQKSVWEPP-QGZVFWFLSA-N 1 0 411.483 3.018 50 10 HGCARO Oc1ccc(N2C[C@](O)(c3ccc(Br)cc3)[N+]3=C2SCCC3)cc1 ZINC000004280250 568958760 /nfs/dbraw/zinc/95/87/60/568958760.db2.gz TZNFBCWLGIZAIZ-SFHVURJKSA-O 1 0 406.325 3.325 50 10 HGCARO Cc1cccc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c1 ZINC000035597256 569045688 /nfs/dbraw/zinc/04/56/88/569045688.db2.gz SCYOKZWIQDDPEZ-HSZRJFAPSA-N 1 0 407.562 3.098 50 10 HGCARO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](C4CSCCSC4)C3)CC2)cc1 ZINC000020539968 524431450 /nfs/dbraw/zinc/43/14/50/524431450.db2.gz ODCQUVIOWBNQDP-LJQANCHMSA-N 1 0 407.649 3.130 50 10 HGCARO COc1cccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c1O ZINC000020601090 525937561 /nfs/dbraw/zinc/93/75/61/525937561.db2.gz CLIYWGMDRAFQDF-FQEVSTJZSA-N 1 0 411.546 3.196 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1F ZINC000004330717 558262588 /nfs/dbraw/zinc/26/25/88/558262588.db2.gz TZZJBFKHYVQAJT-NRFANRHFSA-N 1 0 412.509 3.092 50 10 HGCARO CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000004330697 558262593 /nfs/dbraw/zinc/26/25/93/558262593.db2.gz GOLKIDJECKLHOS-JOCHJYFZSA-N 1 0 424.545 3.043 50 10 HGCARO CC[NH+](CC)CCNC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000019996659 558317530 /nfs/dbraw/zinc/31/75/30/558317530.db2.gz QTRCZBCJEWHNMQ-UHFFFAOYSA-N 1 0 422.554 3.167 50 10 HGCARO COc1ccc(N2CC[NH+](CCCNC(=O)C3(n4cccc4)CCCCC3)CC2)cc1 ZINC000033019324 558835889 /nfs/dbraw/zinc/83/58/89/558835889.db2.gz LIANJAHQUGUJNG-UHFFFAOYSA-N 1 0 424.589 3.485 50 10 HGCARO COc1ccc(N2CC[NH+](C[C@@H](O)COC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000023114557 559012665 /nfs/dbraw/zinc/01/26/65/559012665.db2.gz PZUSFRIBRFPPFL-GPUVRGFBSA-N 1 0 400.563 3.164 50 10 HGCARO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)[NH+](C)C)cc1 ZINC000005098886 559244526 /nfs/dbraw/zinc/24/45/26/559244526.db2.gz BBMVRBLAYVODLG-JOCHJYFZSA-N 1 0 401.576 3.213 50 10 HGCARO O=C1C[C@@H]([NH2+]CCCN2CCOCC2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000100712866 559259436 /nfs/dbraw/zinc/25/94/36/559259436.db2.gz DGPKHVBKAVUMDY-RGCCPRADSA-N 1 0 421.501 3.046 50 10 HGCARO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccc(F)cc3F)CC2)cc1 ZINC000018176754 560781558 /nfs/dbraw/zinc/78/15/58/560781558.db2.gz OYWFAMIPNKGBTB-UHFFFAOYSA-N 1 0 404.461 3.307 50 10 HGCARO COc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1 ZINC000013007834 569406724 /nfs/dbraw/zinc/40/67/24/569406724.db2.gz WURABHNYIJVMHI-JOCHJYFZSA-N 1 0 423.557 3.410 50 10 HGCARO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1 ZINC000008799045 571120352 /nfs/dbraw/zinc/12/03/52/571120352.db2.gz UKZLEQMHYJHSLG-QHCPKHFHSA-N 1 0 413.587 3.493 50 10 HGCARO CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(F)cc3)[NH+]3CCCCC3)ccc21 ZINC000008801573 571120683 /nfs/dbraw/zinc/12/06/83/571120683.db2.gz VWOGCRXTQNFYLH-QFIPXVFZSA-N 1 0 417.550 3.324 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1C ZINC000008964187 571191015 /nfs/dbraw/zinc/19/10/15/571191015.db2.gz PFTANCMGMNQIOA-QHCPKHFHSA-N 1 0 420.557 3.188 50 10 HGCARO Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c1 ZINC000009135454 132228543 /nfs/dbraw/zinc/22/85/43/132228543.db2.gz SWQLGAZNESACHZ-QFIPXVFZSA-N 1 0 408.546 3.043 50 10 HGCARO COc1cccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c1 ZINC000011613049 132348650 /nfs/dbraw/zinc/34/86/50/132348650.db2.gz VBCGVQCGRFSWQC-XMMPIXPASA-N 1 0 423.557 3.410 50 10 HGCARO COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4nc5ccccc5n4C)C3)CC2)cc1 ZINC000020598339 524432243 /nfs/dbraw/zinc/43/22/43/524432243.db2.gz OTTLISISSFSICC-OAQYLSRUSA-N 1 0 419.573 3.369 50 10 HGCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(F)c3)[NH+]3CCCC3)ccc21 ZINC000009135597 536397782 /nfs/dbraw/zinc/39/77/82/536397782.db2.gz QFJUPFYNIGVFNK-QFIPXVFZSA-N 1 0 424.520 3.100 50 10 HGCARO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c1 ZINC000012315552 558378787 /nfs/dbraw/zinc/37/87/87/558378787.db2.gz FLYKXSININFVOM-KRWDZBQOSA-N 1 0 406.486 3.437 50 10 HGCARO COc1ccc(OC)c(-c2ccc(O)c(C[NH+]3CCN(c4ncccn4)CC3)c2)c1 ZINC000014976064 558689229 /nfs/dbraw/zinc/68/92/29/558689229.db2.gz SZYZOMQNMMSTNF-UHFFFAOYSA-N 1 0 406.486 3.189 50 10 HGCARO COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)c4ccccc4N(C)C)C3)CC2)cc1 ZINC000055099981 558872214 /nfs/dbraw/zinc/87/22/14/558872214.db2.gz QCLISXQLYLSPEQ-NRFANRHFSA-N 1 0 422.573 3.188 50 10 HGCARO COc1ccc(N2CC[N@H+](CCc3cc(OC)c(OC)c(OC)c3)C[C@H]2C)cc1 ZINC000055112107 558873035 /nfs/dbraw/zinc/87/30/35/558873035.db2.gz OVOLWPCBVFFBNB-QGZVFWFLSA-N 1 0 400.519 3.474 50 10 HGCARO COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc5c(c4)OCCO5)C3)CC2)cc1 ZINC000096410087 559110181 /nfs/dbraw/zinc/11/01/81/559110181.db2.gz WMEHIIXJQOAAJL-QFIPXVFZSA-N 1 0 423.557 3.253 50 10 HGCARO COc1ccc(O)c(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c1 ZINC000104415178 569008659 /nfs/dbraw/zinc/00/86/59/569008659.db2.gz UTAKFJUJBDAJBM-OAQYLSRUSA-N 1 0 414.546 3.095 50 10 HGCARO COc1ccc(CCNC(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1 ZINC000035597209 569045628 /nfs/dbraw/zinc/04/56/28/569045628.db2.gz VWJDETGVVSPVOK-XMMPIXPASA-N 1 0 422.573 3.366 50 10 HGCARO CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3)[NH+]3CCCCC3)ccc21 ZINC000013007999 569406807 /nfs/dbraw/zinc/40/68/07/569406807.db2.gz UCVVBXYPTIVXMJ-QFIPXVFZSA-N 1 0 424.520 3.100 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1 ZINC000013007874 569406884 /nfs/dbraw/zinc/40/68/84/569406884.db2.gz HSACVGRAYPXUIL-HSZRJFAPSA-N 1 0 420.557 3.269 50 10 HGCARO CN1CCCc2cc([C@H](CNS(=O)(=O)c3ccc(Cl)cc3)[NH+](C)C)ccc21 ZINC000008798830 571120475 /nfs/dbraw/zinc/12/04/75/571120475.db2.gz HFLGLGLPZJFRFN-FQEVSTJZSA-N 1 0 407.967 3.304 50 10 HGCARO COc1cccc(OC)c1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 ZINC000008963248 571190349 /nfs/dbraw/zinc/19/03/49/571190349.db2.gz KVTQSTUWZDTKGG-FQEVSTJZSA-N 1 0 409.530 3.263 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c(C)c1 ZINC000009135451 132228616 /nfs/dbraw/zinc/22/86/16/132228616.db2.gz FWVINLWGTWCGSC-JOCHJYFZSA-N 1 0 408.546 3.043 50 10 HGCARO CC[NH+](CC)CCSc1nnc(N2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000023140022 132478212 /nfs/dbraw/zinc/47/82/12/132478212.db2.gz NSLQVYSQWXSJDM-UHFFFAOYSA-N 1 0 407.609 3.307 50 10 HGCARO COc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c(O)c1 ZINC000020599939 524029265 /nfs/dbraw/zinc/02/92/65/524029265.db2.gz WDGGTMDKIMEUFE-FQEVSTJZSA-N 1 0 411.546 3.196 50 10 HGCARO Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1 ZINC000004330513 558262356 /nfs/dbraw/zinc/26/23/56/558262356.db2.gz CIKPECMBKCDSAJ-QFIPXVFZSA-N 1 0 408.546 3.261 50 10 HGCARO CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000004330722 558262607 /nfs/dbraw/zinc/26/26/07/558262607.db2.gz LYUZEJMNMXIDLQ-QFIPXVFZSA-N 1 0 408.546 3.207 50 10 HGCARO CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccccc1O)CC2 ZINC000012184819 558344534 /nfs/dbraw/zinc/34/45/34/558344534.db2.gz FLMVCIGUARIARS-GOSISDBHSA-N 1 0 423.517 3.152 50 10 HGCARO CCOc1cccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c1O ZINC000023374108 558554176 /nfs/dbraw/zinc/55/41/76/558554176.db2.gz NLZOUYGLYYCKLF-SFHVURJKSA-N 1 0 406.473 3.138 50 10 HGCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc4ccccc4n3)CC2)cc1 ZINC000024088691 558588292 /nfs/dbraw/zinc/58/82/92/558588292.db2.gz RJGAQSNTMZRKHW-UHFFFAOYSA-N 1 0 404.514 3.186 50 10 HGCARO COc1ccc(N2CC[NH+](C[C@H](O)COCC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000023115040 559012615 /nfs/dbraw/zinc/01/26/15/559012615.db2.gz UYQPMEDXEJQYRZ-RZTYHALVSA-N 1 0 414.590 3.411 50 10 HGCARO COc1ccc(N2CC[NH+](CCCNC(=O)COc3c(C)cccc3C)CC2)cc1 ZINC000024088528 559190032 /nfs/dbraw/zinc/19/00/32/559190032.db2.gz BICOGDKBDWXFKT-UHFFFAOYSA-N 1 0 411.546 3.019 50 10 HGCARO COc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=NC3(CC[NH+](C)CC3)N2)c1O ZINC000065298275 569219270 /nfs/dbraw/zinc/21/92/70/569219270.db2.gz WTXHCLXGPQROCL-SFHVURJKSA-N 1 0 409.486 3.075 50 10 biogenic HGCARO COc1ccc(N2CCN(CCC[NH2+]Cc3c(C)nc4sc(C)cn34)CC2)cc1 ZINC000237273301 569281950 /nfs/dbraw/zinc/28/19/50/569281950.db2.gz ASYXMLYNIGONOB-UHFFFAOYSA-N 1 0 413.591 3.323 50 10 HGCARO CCc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)s1 ZINC000008798867 571120472 /nfs/dbraw/zinc/12/04/72/571120472.db2.gz BFWIYGIBMKISRV-LJQANCHMSA-N 1 0 407.605 3.274 50 10 HGCARO CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+](C)C)cc1 ZINC000008964017 571190831 /nfs/dbraw/zinc/19/08/31/571190831.db2.gz UMKNNMXYTAKUQS-QFIPXVFZSA-N 1 0 408.546 3.160 50 10 HGCARO C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1c(O)ccc2ccccc21 ZINC000003307602 132264377 /nfs/dbraw/zinc/26/43/77/132264377.db2.gz DXKUZRNURNZDIK-UHFFFAOYSA-N 1 0 405.498 3.453 50 10 HGCARO O=C(NCc1ccc(N2CCOCC2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000044910889 526681979 /nfs/dbraw/zinc/68/19/79/526681979.db2.gz GCCGATIVTQAJNX-UHFFFAOYSA-N 1 0 411.521 3.191 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1C ZINC000004330628 558262620 /nfs/dbraw/zinc/26/26/20/558262620.db2.gz YSTARAYNHNGFNR-QFIPXVFZSA-N 1 0 408.546 3.261 50 10 HGCARO COc1ccc(CN2CC[N@H+](Cc3cccc(OC)c3O)C[C@@H]2CCO)c(C)c1C ZINC000020775895 558412181 /nfs/dbraw/zinc/41/21/81/558412181.db2.gz USOKSXGYKNYDKF-NRFANRHFSA-N 1 0 414.546 3.095 50 10 HGCARO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)CC2)cc1 ZINC000025264979 558636161 /nfs/dbraw/zinc/63/61/61/558636161.db2.gz CRYRDOHHWHMZED-GOSISDBHSA-N 1 0 421.335 3.020 50 10 HGCARO CCOc1cccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c1O ZINC000039543400 558822110 /nfs/dbraw/zinc/82/21/10/558822110.db2.gz NLZOUYGLYYCKLF-GOSISDBHSA-N 1 0 406.473 3.138 50 10 HGCARO Cc1cccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c1 ZINC000035597255 569045719 /nfs/dbraw/zinc/04/57/19/569045719.db2.gz SCYOKZWIQDDPEZ-QHCPKHFHSA-N 1 0 407.562 3.098 50 10 HGCARO COc1cccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1 ZINC000013007840 569406846 /nfs/dbraw/zinc/40/68/46/569406846.db2.gz SALIUHICUXTKKI-DEOSSOPVSA-N 1 0 423.557 3.410 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1 ZINC000013007876 569406888 /nfs/dbraw/zinc/40/68/88/569406888.db2.gz HSACVGRAYPXUIL-QHCPKHFHSA-N 1 0 420.557 3.269 50 10 HGCARO CCc1cc(C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)c(O)c(C(C)(C)C)c1 ZINC000040040174 571142300 /nfs/dbraw/zinc/14/23/00/571142300.db2.gz CWSVIYIFOZVCGR-UHFFFAOYSA-N 1 0 408.550 3.251 50 10 HGCARO CN1CCc2cc([C@H](CNC(=O)c3cc4ccccc4oc3=O)[NH+]3CCCC3)ccc21 ZINC000008963314 571190492 /nfs/dbraw/zinc/19/04/92/571190492.db2.gz HLFXULCZPRYFLS-QFIPXVFZSA-N 1 0 417.509 3.352 50 10 HGCARO Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1 ZINC000008964194 571191080 /nfs/dbraw/zinc/19/10/80/571191080.db2.gz UIIIKFBGTCUHAL-HSZRJFAPSA-N 1 0 420.557 3.188 50 10 HGCARO Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000044910861 524434144 /nfs/dbraw/zinc/43/41/44/524434144.db2.gz LPTDSQNEQSIQJC-UHFFFAOYSA-N 1 0 407.558 3.360 50 10 HGCARO CCOc1ccc([N+]2=C3SCCCN3[C@@](O)(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000002965985 557777631 /nfs/dbraw/zinc/77/76/31/557777631.db2.gz FCBOKRGGWKMASQ-FQEVSTJZSA-N 1 0 400.480 3.164 50 10 HGCARO CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000004330726 558262591 /nfs/dbraw/zinc/26/25/91/558262591.db2.gz LYUZEJMNMXIDLQ-JOCHJYFZSA-N 1 0 408.546 3.207 50 10 HGCARO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2ccccc2O)C1)c1cccc2cccnc21 ZINC000012302236 558372090 /nfs/dbraw/zinc/37/20/90/558372090.db2.gz IZMNSMJCBJJSCO-QGZVFWFLSA-N 1 0 411.527 3.131 50 10 HGCARO COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000005098959 559244637 /nfs/dbraw/zinc/24/46/37/559244637.db2.gz RUJBSJSWBYABMS-FQEVSTJZSA-N 1 0 417.575 3.185 50 10 HGCARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000005341044 560567705 /nfs/dbraw/zinc/56/77/05/560567705.db2.gz HKGNXVNZRMONIF-NRFANRHFSA-N 1 0 408.546 3.261 50 10 HGCARO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cc(Br)ccc1O ZINC000096009175 568683403 /nfs/dbraw/zinc/68/34/03/568683403.db2.gz XDWLCSSIQPQFCB-DYVFJYSZSA-N 1 0 401.370 3.013 50 10 HGCARO CN(C)c1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CC[NH+](C)CC2)cc1 ZINC000022589404 568771160 /nfs/dbraw/zinc/77/11/60/568771160.db2.gz PCHIDKASECONBV-LKUXSMQASA-N 1 0 424.633 3.374 50 10 HGCARO Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1 ZINC000008801593 571120764 /nfs/dbraw/zinc/12/07/64/571120764.db2.gz YVPJDYVLUITWGM-HSZRJFAPSA-N 1 0 413.587 3.493 50 10 HGCARO CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1 ZINC000008964135 571190724 /nfs/dbraw/zinc/19/07/24/571190724.db2.gz JKHJSLWWPFDGNB-QHCPKHFHSA-N 1 0 420.557 3.133 50 10 HGCARO O=C1c2ccccc2-c2onc3c2c1c(NCC[NH+]1CCCC1)cc3N1CCOCC1 ZINC000004961917 132296947 /nfs/dbraw/zinc/29/69/47/132296947.db2.gz OJFCIYVFPZCHCN-UHFFFAOYSA-N 1 0 418.497 3.384 50 10 HGCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3)[NH+]3CCCCC3)ccc21 ZINC000009138392 132336619 /nfs/dbraw/zinc/33/66/19/132336619.db2.gz CQRCEEHYQUBYJJ-HSZRJFAPSA-N 1 0 420.557 3.351 50 10 HGCARO COc1ccc(N2CC[NH+](CCCNC(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000009919422 536697143 /nfs/dbraw/zinc/69/71/43/536697143.db2.gz YHWVWYOLDRSWLD-UHFFFAOYSA-N 1 0 417.937 3.056 50 10 HGCARO COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCCc3ccccc3OC)CC2)c(O)c1 ZINC000011881139 558294996 /nfs/dbraw/zinc/29/49/96/558294996.db2.gz HPGPPIRVRWNCEN-NRFANRHFSA-N 1 0 424.541 3.370 50 10 HGCARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 ZINC000023214724 558542826 /nfs/dbraw/zinc/54/28/26/558542826.db2.gz QKHKHAIJTHOEGF-HSZRJFAPSA-N 1 0 423.557 3.268 50 10 HGCARO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(Br)cc3)CC2)cc1 ZINC000025264983 558636146 /nfs/dbraw/zinc/63/61/46/558636146.db2.gz CRYRDOHHWHMZED-SFHVURJKSA-N 1 0 421.335 3.020 50 10 HGCARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccccc1O)CC2 ZINC000014535399 558658058 /nfs/dbraw/zinc/65/80/58/558658058.db2.gz ZQIGPAMCAIEHTE-UHFFFAOYSA-N 1 0 422.529 3.242 50 10 HGCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccccc3OC(F)F)CC2)cc1 ZINC000028065208 558690559 /nfs/dbraw/zinc/69/05/59/558690559.db2.gz KPZWUOXGDZARCU-UHFFFAOYSA-N 1 0 419.472 3.239 50 10 HGCARO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005340561 560567567 /nfs/dbraw/zinc/56/75/67/560567567.db2.gz FGXIEJAYYCYYKU-LJQANCHMSA-N 1 0 402.926 3.072 50 10 HGCARO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022589090 568770877 /nfs/dbraw/zinc/77/08/77/568770877.db2.gz BTTMWFIVFUFDNG-DEOSSOPVSA-N 1 0 424.589 3.258 50 10 HGCARO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022589094 568770964 /nfs/dbraw/zinc/77/09/64/568770964.db2.gz BTTMWFIVFUFDNG-XMMPIXPASA-N 1 0 424.589 3.258 50 10 HGCARO CN1CCCc2cc([C@H](CNC(=O)c3ccc4c(c3)OCO4)[NH+]3CCCC3)ccc21 ZINC000013008255 569406868 /nfs/dbraw/zinc/40/68/68/569406868.db2.gz TZRWMHOXFPFPNK-NRFANRHFSA-N 1 0 407.514 3.365 50 10 HGCARO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c1 ZINC000008798897 571120512 /nfs/dbraw/zinc/12/05/12/571120512.db2.gz JWBJGXBOZUVTOP-NRFANRHFSA-N 1 0 401.576 3.267 50 10 HGCARO CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1 ZINC000008964136 571190886 /nfs/dbraw/zinc/19/08/86/571190886.db2.gz JKHJSLWWPFDGNB-HSZRJFAPSA-N 1 0 420.557 3.133 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1C ZINC000009135449 132228613 /nfs/dbraw/zinc/22/86/13/132228613.db2.gz USAVRKNHEPSOFK-JOCHJYFZSA-N 1 0 408.546 3.043 50 10 HGCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(OC(F)F)cc3)CC2)cc1 ZINC000032763946 524422700 /nfs/dbraw/zinc/42/27/00/524422700.db2.gz BUFPRLAKZUFLAS-UHFFFAOYSA-N 1 0 419.472 3.239 50 10 HGCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3F)[NH+]3CCCC3)ccc21 ZINC000009135580 536397422 /nfs/dbraw/zinc/39/74/22/536397422.db2.gz JAWRWPRYVSXNPO-QFIPXVFZSA-N 1 0 424.520 3.100 50 10 HGCARO O=C(C1CC[NH+](Cc2ccccc2O)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000004551055 557566102 /nfs/dbraw/zinc/56/61/02/557566102.db2.gz RXYJXBLTXVQXPJ-RMKNXTFCSA-N 1 0 419.569 3.462 50 10 HGCARO CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000004330568 558262333 /nfs/dbraw/zinc/26/23/33/558262333.db2.gz RYRWKNNBEMUKLV-JOCHJYFZSA-N 1 0 408.546 3.207 50 10 HGCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000004330504 558262338 /nfs/dbraw/zinc/26/23/38/558262338.db2.gz VJSWHXPHAXOPCP-HXUWFJFHSA-N 1 0 414.937 3.298 50 10 HGCARO C/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000033334494 559063480 /nfs/dbraw/zinc/06/34/80/559063480.db2.gz XWYGQPITEXYHRX-KAMYIIQDSA-N 1 0 409.437 3.083 50 10 HGCARO COc1ccc(O)c(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c1 ZINC000091587528 559072336 /nfs/dbraw/zinc/07/23/36/559072336.db2.gz UTAKFJUJBDAJBM-NRFANRHFSA-N 1 0 414.546 3.095 50 10 HGCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)[NH+]2CCCC2)cc1 ZINC000005340803 560567694 /nfs/dbraw/zinc/56/76/94/560567694.db2.gz YXLZQQBHNVNLCJ-QFIPXVFZSA-N 1 0 412.578 3.012 50 10 HGCARO Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+](C)C)c(C)c1 ZINC000008800540 560639465 /nfs/dbraw/zinc/63/94/65/560639465.db2.gz RMWPITAQOWXWKR-NRFANRHFSA-N 1 0 401.576 3.185 50 10 HGCARO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3cc(O)cc(Br)c3O)cn2)n1 ZINC000095467805 568624736 /nfs/dbraw/zinc/62/47/36/568624736.db2.gz OEYOVYSNAQEJCZ-UHFFFAOYSA-N 1 0 403.280 3.348 50 10 HGCARO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc(Br)ccc1O ZINC000096009172 568683408 /nfs/dbraw/zinc/68/34/08/568683408.db2.gz XDWLCSSIQPQFCB-SUMWQHHRSA-N 1 0 401.370 3.013 50 10 HGCARO CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022589282 568771278 /nfs/dbraw/zinc/77/12/78/568771278.db2.gz PKEIVDPXTADJBZ-NRFANRHFSA-N 1 0 400.954 3.125 50 10 HGCARO CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3F)[NH+]3CCCCC3)ccc21 ZINC000013007983 569406755 /nfs/dbraw/zinc/40/67/55/569406755.db2.gz XLFHRRAGIQQMED-QFIPXVFZSA-N 1 0 424.520 3.100 50 10 HGCARO COc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1 ZINC000013008263 569406876 /nfs/dbraw/zinc/40/68/76/569406876.db2.gz GMEFBCRMSOUVIX-XMMPIXPASA-N 1 0 423.557 3.410 50 10 HGCARO Cc1cc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)ccc1F ZINC000008798902 571120326 /nfs/dbraw/zinc/12/03/26/571120326.db2.gz UKEDQRPAPFURNN-OAQYLSRUSA-N 1 0 405.539 3.098 50 10 HGCARO CN1CCCc2cc([C@@H](CNS(=O)(=O)c3ccccc3Cl)[NH+](C)C)ccc21 ZINC000008798796 571120544 /nfs/dbraw/zinc/12/05/44/571120544.db2.gz IRORSHBQTMHVGJ-LJQANCHMSA-N 1 0 407.967 3.304 50 10 HGCARO COc1cc(OC)cc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1 ZINC000008963207 571189996 /nfs/dbraw/zinc/18/99/96/571189996.db2.gz DMJCRIKXPQCNKY-HSZRJFAPSA-N 1 0 409.530 3.263 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1F ZINC000008964116 571190769 /nfs/dbraw/zinc/19/07/69/571190769.db2.gz FTFDJNFLSHBVHP-JOCHJYFZSA-N 1 0 424.520 3.018 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c(C)c1 ZINC000009135450 132228523 /nfs/dbraw/zinc/22/85/23/132228523.db2.gz FWVINLWGTWCGSC-QFIPXVFZSA-N 1 0 408.546 3.043 50 10 HGCARO C[NH+](C)CCCNc1cc(N2CCOCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006738032 132314349 /nfs/dbraw/zinc/31/43/49/132314349.db2.gz UVNTXSBOADTUJB-UHFFFAOYSA-N 1 0 406.486 3.239 50 10 HGCARO CN1CCCc2cc([C@@H](CNC(=O)c3cc4ccccc4oc3=O)[NH+](C)C)ccc21 ZINC000013008180 132451488 /nfs/dbraw/zinc/45/14/88/132451488.db2.gz KAWIDRWOILDCNT-OAQYLSRUSA-N 1 0 405.498 3.208 50 10 HGCARO Cc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000044910858 524385786 /nfs/dbraw/zinc/38/57/86/524385786.db2.gz NQYRYVVIROHVBU-UHFFFAOYSA-N 1 0 407.558 3.360 50 10 HGCARO Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000004330489 558262300 /nfs/dbraw/zinc/26/23/00/558262300.db2.gz NRRNKDMDJBWQOG-LJQANCHMSA-N 1 0 402.926 3.072 50 10 HGCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000004330603 558262304 /nfs/dbraw/zinc/26/23/04/558262304.db2.gz WABRMFDHENTYMQ-HXUWFJFHSA-N 1 0 414.937 3.298 50 10 HGCARO Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1 ZINC000004330662 558262605 /nfs/dbraw/zinc/26/26/05/558262605.db2.gz UORMODAVEQLWQK-JOCHJYFZSA-N 1 0 408.546 3.261 50 10 HGCARO COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4cc(CC(C)C)n[nH]4)C3)CC2)cc1 ZINC000020999391 558427812 /nfs/dbraw/zinc/42/78/12/558427812.db2.gz MBMQWKHRUPGWKQ-QHCPKHFHSA-N 1 0 411.594 3.403 50 10 HGCARO O=C(NCCc1ccccc1)C1CC[NH+](C2CCN(Cc3ccccc3O)CC2)CC1 ZINC000012707461 558450560 /nfs/dbraw/zinc/45/05/60/558450560.db2.gz SVNPJNGFUKCPBQ-UHFFFAOYSA-N 1 0 421.585 3.428 50 10 HGCARO CCOC(=O)C1(CCOC)CC[NH+](C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000039466426 558821547 /nfs/dbraw/zinc/82/15/47/558821547.db2.gz LNBSSQNEHXKRIP-UHFFFAOYSA-N 1 0 404.551 3.346 50 10 HGCARO COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)NCc4ccccc4)C3)CC2)cc1 ZINC000055281489 558878449 /nfs/dbraw/zinc/87/84/49/558878449.db2.gz VGDHPUNKXUFLAM-QFIPXVFZSA-N 1 0 408.546 3.191 50 10 HGCARO CN(C)c1ccc([C@H](CNS(=O)(=O)CCc2ccccc2)[NH+]2CCCC2)cc1 ZINC000005099022 559244695 /nfs/dbraw/zinc/24/46/95/559244695.db2.gz JWNPIWMODXYZTH-QFIPXVFZSA-N 1 0 401.576 3.052 50 10 HGCARO Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+](C)C)c(C)c1 ZINC000008800544 560639449 /nfs/dbraw/zinc/63/94/49/560639449.db2.gz RMWPITAQOWXWKR-OAQYLSRUSA-N 1 0 401.576 3.185 50 10 HGCARO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022589287 568771252 /nfs/dbraw/zinc/77/12/52/568771252.db2.gz PKEIVDPXTADJBZ-OAQYLSRUSA-N 1 0 400.954 3.125 50 10 HGCARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c(O)c1 ZINC000105607972 569009220 /nfs/dbraw/zinc/00/92/20/569009220.db2.gz CBUPTQRJUFOQDP-OAQYLSRUSA-N 1 0 414.546 3.095 50 10 HGCARO Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c(C)c1 ZINC000008801015 571120533 /nfs/dbraw/zinc/12/05/33/571120533.db2.gz ANYNRVZVBICCAA-JOCHJYFZSA-N 1 0 413.587 3.411 50 10 HGCARO CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(F)cc3F)[NH+]3CCCC3)ccc21 ZINC000008801037 571120675 /nfs/dbraw/zinc/12/06/75/571120675.db2.gz FVNYBRCDPWRPBI-FQEVSTJZSA-N 1 0 421.513 3.073 50 10 HGCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3)[NH+]3CCCC3)ccc21 ZINC000009135592 132228584 /nfs/dbraw/zinc/22/85/84/132228584.db2.gz WPGARFJFHLDYOA-JOCHJYFZSA-N 1 0 424.520 3.100 50 10 HGCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(F)c3)[NH+]3CCCC3)ccc21 ZINC000009135596 132228750 /nfs/dbraw/zinc/22/87/50/132228750.db2.gz QFJUPFYNIGVFNK-JOCHJYFZSA-N 1 0 424.520 3.100 50 10 HGCARO COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4nc5ccccc5n4C)C3)CC2)cc1 ZINC000020598340 524433888 /nfs/dbraw/zinc/43/38/88/524433888.db2.gz OTTLISISSFSICC-NRFANRHFSA-N 1 0 419.573 3.369 50 10 HGCARO C[NH+](C)CCOC(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000001867365 557293200 /nfs/dbraw/zinc/29/32/00/557293200.db2.gz JWELNXGAOXAPMY-QINSGFPZSA-N 1 0 412.964 3.426 50 10 HGCARO CN(C)c1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccccn4)O3)CC2)cc1 ZINC000012338092 558385817 /nfs/dbraw/zinc/38/58/17/558385817.db2.gz GTZMJHHPGRMHQI-NRFANRHFSA-N 1 0 408.546 3.091 50 10 HGCARO COCc1cc(C[NH2+]C[C@H]2C[C@@H](CO)N(C)[C@H]2c2ccccc2F)ccc1OC ZINC000019146956 558846751 /nfs/dbraw/zinc/84/67/51/558846751.db2.gz ZPHMQMWYLJIWDZ-HFJQGTKSSA-N 1 0 402.510 3.124 50 10 HGCARO CN(C)c1ccc([C@H](CNC(=O)c2ccccc2Cl)N2CC[NH+](C)CC2)cc1 ZINC000022417337 558990683 /nfs/dbraw/zinc/99/06/83/558990683.db2.gz BUZPKHKICMXFTO-NRFANRHFSA-N 1 0 400.954 3.125 50 10 HGCARO COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc5c(c4)OCCO5)C3)CC2)cc1 ZINC000096410086 559110230 /nfs/dbraw/zinc/11/02/30/559110230.db2.gz WMEHIIXJQOAAJL-JOCHJYFZSA-N 1 0 423.557 3.253 50 10 HGCARO CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)[NH+](C)C)cc1 ZINC000005098887 559244522 /nfs/dbraw/zinc/24/45/22/559244522.db2.gz BBMVRBLAYVODLG-QFIPXVFZSA-N 1 0 401.576 3.213 50 10 HGCARO CCOc1ccc([C@]2(O)C[N+](c3cc(OC)ccc3OC)=C3SCCCN32)cc1 ZINC000017307537 560707700 /nfs/dbraw/zinc/70/77/00/560707700.db2.gz HOWZFTJCBKEUNE-JOCHJYFZSA-N 1 0 415.535 3.273 50 10 HGCARO CN(C)c1ccc([C@H](CNC(=O)c2cccc(Cl)c2)N2CC[NH+](C)CC2)cc1 ZINC000022589219 568770867 /nfs/dbraw/zinc/77/08/67/568770867.db2.gz VTEXCIBGLSUDSD-NRFANRHFSA-N 1 0 400.954 3.125 50 10 HGCARO COc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1 ZINC000013008257 569406896 /nfs/dbraw/zinc/40/68/96/569406896.db2.gz FFZVDRPHQDWHTE-JOCHJYFZSA-N 1 0 423.557 3.410 50 10 HGCARO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c(C)c1 ZINC000008798844 571120360 /nfs/dbraw/zinc/12/03/60/571120360.db2.gz FKMLADKNPHXPFS-NRFANRHFSA-N 1 0 401.576 3.267 50 10 HGCARO CCOc1cccc(C[NH+]2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)c1O ZINC000000795492 557082873 /nfs/dbraw/zinc/08/28/73/557082873.db2.gz YNBDQDPSCJCDLD-UHFFFAOYSA-N 1 0 412.530 3.024 50 10 HGCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000004330498 558262372 /nfs/dbraw/zinc/26/23/72/558262372.db2.gz WCAFJEKFPGYCAD-FQEVSTJZSA-N 1 0 414.937 3.298 50 10 HGCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000004330506 558262377 /nfs/dbraw/zinc/26/23/77/558262377.db2.gz VJSWHXPHAXOPCP-FQEVSTJZSA-N 1 0 414.937 3.298 50 10 HGCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1F ZINC000004330720 558262584 /nfs/dbraw/zinc/26/25/84/558262584.db2.gz TZZJBFKHYVQAJT-OAQYLSRUSA-N 1 0 412.509 3.092 50 10 HGCARO COc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1 ZINC000013007846 569406815 /nfs/dbraw/zinc/40/68/15/569406815.db2.gz VHRHXGNRIOEQRF-DEOSSOPVSA-N 1 0 423.557 3.410 50 10 HGCARO Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1 ZINC000013008116 569406878 /nfs/dbraw/zinc/40/68/78/569406878.db2.gz AOBCJGQLHGVIDU-QHCPKHFHSA-N 1 0 420.557 3.269 50 10 HGCARO COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CC[NH+](C)CC4)c32)cc1 ZINC000019794012 569430069 /nfs/dbraw/zinc/43/00/69/569430069.db2.gz UOKBUZASIGPLHL-UHFFFAOYSA-N 1 0 409.486 3.455 50 10 HGCARO COc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1 ZINC000008963400 571190574 /nfs/dbraw/zinc/19/05/74/571190574.db2.gz VQXGSYXURBMYOO-NRFANRHFSA-N 1 0 409.530 3.020 50 10 HGCARO