smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)c4ccncc4)C3)CC2)cc1 ZINC000064131819 136156726 /nfs/dbraw/zinc/15/67/26/136156726.db2.gz GOLCTOJIIGFHHV-HXUWFJFHSA-N 1 0 380.492 2.517 50 10 GFCARO COc1cc(Br)cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1O ZINC000018218196 551113754 /nfs/dbraw/zinc/11/37/54/551113754.db2.gz FCPBUDBBAKOAKP-AWEZNQCLSA-N 1 0 388.225 2.609 50 10 GFCARO CN(C)c1ccc([C@@H](CNC(=O)NC2CCCCC2)N2CC[NH+](C)CC2)cc1 ZINC000022417536 570889878 /nfs/dbraw/zinc/88/98/78/570889878.db2.gz HBFPUPNUUFVARC-OAQYLSRUSA-N 1 0 387.572 2.673 50 10 GFCARO COc1ccc([N+]2=C3SCCCN3[C@@](O)(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000002965948 203977689 /nfs/dbraw/zinc/97/76/89/203977689.db2.gz OPTNKGOALVJGRZ-IBGZPJMESA-N 1 0 386.453 2.774 50 10 GFCARO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc4c(c3)CCC4)CC2)cc1 ZINC000004819381 204079622 /nfs/dbraw/zinc/07/96/22/204079622.db2.gz HMDPMSSIPLNPBJ-OAQYLSRUSA-N 1 0 382.504 2.746 50 10 GFCARO CN(C)c1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)[NH+](C)C)cc1 ZINC000005097750 204111602 /nfs/dbraw/zinc/11/16/02/204111602.db2.gz OMIIJLPRGQLHTH-IBGZPJMESA-N 1 0 379.460 2.892 50 10 GFCARO CN1CCCc2cc([C@@H](CNC(=O)c3cccs3)N3CC[NH+](C)CC3)ccc21 ZINC000022734779 136204620 /nfs/dbraw/zinc/20/46/20/136204620.db2.gz YPULMPNGJODRNG-HXUWFJFHSA-N 1 0 398.576 2.849 50 10 GFCARO COc1ccc(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)c(O)c1 ZINC000020166390 570245638 /nfs/dbraw/zinc/24/56/38/570245638.db2.gz XTLSGTPPMWYOBB-NRFANRHFSA-N 1 0 384.520 2.902 50 10 GFCARO COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)c4cccc(C)n4)C3)CC2)cc1 ZINC000055370574 570693168 /nfs/dbraw/zinc/69/31/68/570693168.db2.gz QNJVKRWROMTWGH-FQEVSTJZSA-N 1 0 394.519 2.825 50 10 GFCARO COc1ccc(N2CCN(C(=O)CC[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000032776700 570799085 /nfs/dbraw/zinc/79/90/85/570799085.db2.gz ZRJZZKFBSBEZOZ-UHFFFAOYSA-N 1 0 379.504 2.792 50 10 GFCARO CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000005098862 204111638 /nfs/dbraw/zinc/11/16/38/204111638.db2.gz KISCLWNUXKBHCJ-HXUWFJFHSA-N 1 0 391.537 2.733 50 10 GFCARO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000237872276 136192424 /nfs/dbraw/zinc/19/24/24/136192424.db2.gz FGDNKNOCGFMXBW-UKRRQHHQSA-N 1 0 385.430 2.676 50 10 GFCARO COc1ccc(C(=O)N[C@H](C)c2ccc(N3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000048367485 570246831 /nfs/dbraw/zinc/24/68/31/570246831.db2.gz AAJFKKUXMFHAAH-OAHLLOKOSA-N 1 0 398.463 2.846 50 10 GFCARO CCN1C(=O)C(=Cc2cc(C)n(-c3cc[nH+]cc3)c2C)C(=O)N(CC)C1=S ZINC000002351915 570283938 /nfs/dbraw/zinc/28/39/38/570283938.db2.gz NPRXKJUEPWBOJX-UHFFFAOYSA-N 1 0 382.489 2.868 50 10 GFCARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c(O)c1 ZINC000022853412 570331402 /nfs/dbraw/zinc/33/14/02/570331402.db2.gz YIALBQZDFDJXAA-QGZVFWFLSA-N 1 0 392.446 2.748 50 10 GFCARO CN1CCc2cc([C@@H](CNC(=O)c3ccccc3F)N3CC[NH+](C)CC3)ccc21 ZINC000022733658 570541515 /nfs/dbraw/zinc/54/15/15/570541515.db2.gz KPGVNBVKXWQMTE-JOCHJYFZSA-N 1 0 396.510 2.537 50 10 GFCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000004330499 570574564 /nfs/dbraw/zinc/57/45/64/570574564.db2.gz ULKRVZKJAJDTOC-NRFANRHFSA-N 1 0 394.519 2.953 50 10 GFCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2)[NH+]2CCCC2)cc1 ZINC000004330577 570575075 /nfs/dbraw/zinc/57/50/75/570575075.db2.gz LSUGNHSCOBDHBK-FQEVSTJZSA-N 1 0 380.492 2.644 50 10 GFCARO C[NH+](C)CCCNC=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000018118904 570950748 /nfs/dbraw/zinc/95/07/48/570950748.db2.gz VPFFRUVMJPSMTN-XDJHFCHBSA-N 1 0 393.447 2.771 50 10 GFCARO COc1ccc(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000011853378 204357528 /nfs/dbraw/zinc/35/75/28/204357528.db2.gz ZWKIZVCNSPYWLS-UHFFFAOYSA-N 1 0 383.492 2.646 50 10 GFCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3F)[NH+](C)C)ccc21 ZINC000013008611 536125069 /nfs/dbraw/zinc/12/50/69/536125069.db2.gz XUKUOPIKZMGPIQ-FQEVSTJZSA-N 1 0 398.482 2.566 50 10 GFCARO Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000004330621 570575108 /nfs/dbraw/zinc/57/51/08/570575108.db2.gz IARCDNJWUSTONF-OAQYLSRUSA-N 1 0 394.519 2.953 50 10 GFCARO COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)c4cccc(C)n4)C3)CC2)cc1 ZINC000055370577 570693140 /nfs/dbraw/zinc/69/31/40/570693140.db2.gz QNJVKRWROMTWGH-HXUWFJFHSA-N 1 0 394.519 2.825 50 10 GFCARO O=C(NC1CC1)c1ccc(N2CC[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2)nc1 ZINC000065256988 205223600 /nfs/dbraw/zinc/22/36/00/205223600.db2.gz HMKOGLNZHQXQCJ-KRWDZBQOSA-N 1 0 386.883 2.701 50 10 GFCARO Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000022925045 570336218 /nfs/dbraw/zinc/33/62/18/570336218.db2.gz PTSZOHKIDWNHAT-UHFFFAOYSA-N 1 0 380.536 2.948 50 10 GFCARO COc1ccc(O)c(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)c1 ZINC000023374570 570358279 /nfs/dbraw/zinc/35/82/79/570358279.db2.gz HQVPQNFWKWUNCD-NRFANRHFSA-N 1 0 384.520 2.902 50 10 GFCARO CN1CCc2cc([C@H](CNC(=O)c3ccc(F)cc3)N3CC[NH+](C)CC3)ccc21 ZINC000022733661 205964090 /nfs/dbraw/zinc/96/40/90/205964090.db2.gz RLTCVJSFXZHJFC-QFIPXVFZSA-N 1 0 396.510 2.537 50 10 GFCARO CN1CCCc2cc([C@@H](CNC(=O)c3ccccc3)N3CC[NH+](C)CC3)ccc21 ZINC000022734857 136204557 /nfs/dbraw/zinc/20/45/57/136204557.db2.gz BUFLLWSYCJVTBD-HSZRJFAPSA-N 1 0 392.547 2.788 50 10 GFCARO CCOc1cccc(C[N@@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)c1O ZINC000020118491 570241500 /nfs/dbraw/zinc/24/15/00/570241500.db2.gz XUDDVNUVYXAABR-FQEVSTJZSA-N 1 0 385.508 2.563 50 10 GFCARO CN1CCc2cc([C@H](CNC(=O)C3CCCCC3)N3CC[NH+](C)CC3)ccc21 ZINC000022733633 570541525 /nfs/dbraw/zinc/54/15/25/570541525.db2.gz YOQJMFIDJOPOML-QFIPXVFZSA-N 1 0 384.568 2.664 50 10 GFCARO CN(C)c1ccc([C@H](CNC(=O)NCc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022418594 205952820 /nfs/dbraw/zinc/95/28/20/205952820.db2.gz XUJAWIIEXXJLCD-QFIPXVFZSA-N 1 0 395.551 2.541 50 10 GFCARO Cc1c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nnn1C1CC[NH2+]CC1 ZINC000237220138 136192261 /nfs/dbraw/zinc/19/22/61/136192261.db2.gz WQLQHGIYBBCHNN-UHFFFAOYSA-N 1 0 396.539 2.774 50 10 GFCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(F)c3)[NH+](C)C)ccc21 ZINC000013008633 536125000 /nfs/dbraw/zinc/12/50/00/536125000.db2.gz BMSZPCMDORQPDO-FQEVSTJZSA-N 1 0 398.482 2.566 50 10 GFCARO COc1cccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c1O ZINC000023129803 570345794 /nfs/dbraw/zinc/34/57/94/570345794.db2.gz OSODXLBUXSYQFB-KRWDZBQOSA-N 1 0 392.446 2.748 50 10 GFCARO CCC(=O)N[C@@H](c1nnc2n1CC[N@@H+](Cc1ccc(N(C)C)cc1)CC2)C(C)C ZINC000012149641 204377559 /nfs/dbraw/zinc/37/75/59/204377559.db2.gz JWNOTTYOGGJHAY-OAQYLSRUSA-N 1 0 398.555 2.626 50 10 GFCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2Cl)[NH+](C)C)cc1 ZINC000004330398 570573514 /nfs/dbraw/zinc/57/35/14/570573514.db2.gz PFHSPABNZZZWHZ-GOSISDBHSA-N 1 0 388.899 2.764 50 10 GFCARO COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)CCSC)C3)CC2)cc1 ZINC000019837892 207166049 /nfs/dbraw/zinc/16/60/49/207166049.db2.gz BZTWPKRUVZCDEG-SFHVURJKSA-N 1 0 377.554 2.561 50 10 GFCARO COc1cccc(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)c1O ZINC000020774054 207213843 /nfs/dbraw/zinc/21/38/43/207213843.db2.gz YKNWZOKVVDBCIJ-NRFANRHFSA-N 1 0 384.520 2.902 50 10 GFCARO CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NN1CCN(C)CC1 ZINC000100423267 208375974 /nfs/dbraw/zinc/37/59/74/208375974.db2.gz USNAYTHGJXAKIO-JXAWBTAJSA-N 1 0 398.536 2.825 50 10 GFCARO COc1ccc(N2CC[NH+](Cc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)cc1 ZINC000023281446 570538568 /nfs/dbraw/zinc/53/85/68/570538568.db2.gz DBKAPJRMSSPVHM-UHFFFAOYSA-N 1 0 392.503 2.815 50 10 GFCARO CN(CCO)c1cc(NCCC[NH+](C)C)c2c3c1noc3-c1ccccc1C2=O ZINC000006738033 570562524 /nfs/dbraw/zinc/56/25/24/570562524.db2.gz AARHBONBPGXIQL-UHFFFAOYSA-N 1 0 394.475 2.831 50 10 GFCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000004330501 570574779 /nfs/dbraw/zinc/57/47/79/570574779.db2.gz ULKRVZKJAJDTOC-OAQYLSRUSA-N 1 0 394.519 2.953 50 10 GFCARO COc1ccc(OC)c([N+]2=C3SCCCN3[C@@](O)(c3cccs3)C2)c1 ZINC000015953397 207068963 /nfs/dbraw/zinc/06/89/63/207068963.db2.gz ZCZHFLYNGJTLHG-SFHVURJKSA-N 1 0 377.511 2.936 50 10 GFCARO CN1CCc2cc([C@H](CNC(=O)NC3CCCCC3)N3CC[NH+](C)CC3)ccc21 ZINC000035597251 570399874 /nfs/dbraw/zinc/39/98/74/570399874.db2.gz YVVBNPVEDFOWIC-QFIPXVFZSA-N 1 0 399.583 2.599 50 10 GFCARO Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+](C)C ZINC000009135447 206308235 /nfs/dbraw/zinc/30/82/35/206308235.db2.gz RUNBCUSOGWZIRI-OAQYLSRUSA-N 1 0 394.519 2.735 50 10 GFCARO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1 ZINC000014980561 207039438 /nfs/dbraw/zinc/03/94/38/207039438.db2.gz JVKNLZDDMVVQPO-HXUWFJFHSA-N 1 0 396.539 2.807 50 10 GFCARO CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000004330425 570573351 /nfs/dbraw/zinc/57/33/51/570573351.db2.gz MTGGZIUNDXHQGZ-FQEVSTJZSA-N 1 0 398.507 2.509 50 10 GFCARO CCCS(=O)(=O)NC1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000047272312 570952333 /nfs/dbraw/zinc/95/23/33/570952333.db2.gz NFVIKFMAHBWWRM-UHFFFAOYSA-N 1 0 392.521 2.848 50 10 GFCARO C[NH+]1CCN(CCCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)CC1 ZINC000071330141 207939460 /nfs/dbraw/zinc/93/94/60/207939460.db2.gz SHVOUJYJAODKDX-UHFFFAOYSA-N 1 0 387.483 2.850 50 10 GFCARO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c1 ZINC000013008546 136200683 /nfs/dbraw/zinc/20/06/83/136200683.db2.gz JURRHDSDLGLVNC-OAQYLSRUSA-N 1 0 394.519 2.735 50 10 GFCARO Cc1nn(C)c2sc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)cc12 ZINC000004362585 570371059 /nfs/dbraw/zinc/37/10/59/570371059.db2.gz PWRXNQHYEMJSCE-UHFFFAOYSA-N 1 0 383.521 2.625 50 10 GFCARO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)c1 ZINC000005098834 570416026 /nfs/dbraw/zinc/41/60/26/570416026.db2.gz JXLFWCLFDOYOTC-IBGZPJMESA-N 1 0 375.538 2.951 50 10 GFCARO Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)c1 ZINC000005098835 570416173 /nfs/dbraw/zinc/41/61/73/570416173.db2.gz JXLFWCLFDOYOTC-LJQANCHMSA-N 1 0 375.538 2.951 50 10 GFCARO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)N3CCN(CC)CC3)CC2)cc1 ZINC000004676955 570823701 /nfs/dbraw/zinc/82/37/01/570823701.db2.gz SPEQATPJICEGEO-UHFFFAOYSA-N 1 0 386.584 2.909 50 10 GFCARO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000019901748 207170466 /nfs/dbraw/zinc/17/04/66/207170466.db2.gz BOBFMTXLDXLPHI-GOSISDBHSA-N 1 0 376.884 2.911 50 10 GFCARO COc1ccc(O)c(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c1 ZINC000020783593 207214343 /nfs/dbraw/zinc/21/43/43/207214343.db2.gz APQUSVMXDQAESG-KRWDZBQOSA-N 1 0 392.446 2.748 50 10 GFCARO CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022589186 207256189 /nfs/dbraw/zinc/25/61/89/207256189.db2.gz NBCVBZKIBFPOPJ-NRFANRHFSA-N 1 0 384.499 2.610 50 10 GFCARO Cc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000022589067 207256966 /nfs/dbraw/zinc/25/69/66/207256966.db2.gz IRHJLWGFMATWHV-QFIPXVFZSA-N 1 0 380.536 2.780 50 10 GFCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1 ZINC000013008530 136200803 /nfs/dbraw/zinc/20/08/03/136200803.db2.gz DCOYIMDJTGZKIM-NRFANRHFSA-N 1 0 394.519 2.735 50 10 GFCARO COc1ccc(N2CCC([N@@H+]3C[C@H]4CC[C@@H](C3)C(=O)N4CC3CC3)CC2)cc1 ZINC000095359630 536669545 /nfs/dbraw/zinc/66/95/45/536669545.db2.gz NOORGNGTRIOPJI-GHTZIAJQSA-N 1 0 383.536 2.997 50 10 GFCARO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1C ZINC000005098832 570416122 /nfs/dbraw/zinc/41/61/22/570416122.db2.gz QMHZJYMXFZHSNG-FQEVSTJZSA-N 1 0 375.538 2.951 50 10 GFCARO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000011853412 570439044 /nfs/dbraw/zinc/43/90/44/570439044.db2.gz ZFTNCMJXONTYCV-UHFFFAOYSA-N 1 0 385.483 2.705 50 10 GFCARO COc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000002965946 570525296 /nfs/dbraw/zinc/52/52/96/570525296.db2.gz OEMWYSRVGVLHOJ-LJQANCHMSA-N 1 0 386.453 2.774 50 10 GFCARO O=C(C1CC[NH+](Cc2ccccc2O)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000004679594 570825923 /nfs/dbraw/zinc/82/59/23/570825923.db2.gz UBLSTMJEOPPESL-UHFFFAOYSA-N 1 0 393.531 2.949 50 10 GFCARO C[NH+](C)CCOC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000004839239 206560770 /nfs/dbraw/zinc/56/07/70/206560770.db2.gz PUGAVPFRIVQGLM-SDNWHVSQSA-N 1 0 382.482 2.522 50 10 GFCARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+](C)C ZINC000008963976 208700051 /nfs/dbraw/zinc/70/00/51/208700051.db2.gz VGLXTKRZDZGGIX-HXUWFJFHSA-N 1 0 394.519 2.653 50 10 GFCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3)[NH+](C)C)ccc21 ZINC000013008629 536124105 /nfs/dbraw/zinc/12/41/05/536124105.db2.gz UVPKBWHGQDRUND-FQEVSTJZSA-N 1 0 398.482 2.566 50 10 GFCARO CN1CCc2cc([C@@H](CNC(=O)c3cccc(F)c3)N3CC[NH+](C)CC3)ccc21 ZINC000022733681 570541383 /nfs/dbraw/zinc/54/13/83/570541383.db2.gz YKDYMLLTZJLCTA-JOCHJYFZSA-N 1 0 396.510 2.537 50 10 GFCARO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000026771520 654559413 /nfs/dbraw/zinc/55/94/13/654559413.db2.gz WUPFQEDVNYNDOH-OLZOCXBDSA-N 1 0 375.266 2.936 50 10 GFCARO Cc1cc2c(n1-c1ccc(C(=O)NCCN3CC[NH+](C)CC3)cc1)CC[C@@H](C)C2 ZINC000020927739 207221368 /nfs/dbraw/zinc/22/13/68/207221368.db2.gz PVPUXEZKVWRVDV-GOSISDBHSA-N 1 0 394.563 2.888 50 10 GFCARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005340501 570557133 /nfs/dbraw/zinc/55/71/33/570557133.db2.gz MZWNIOUGZHKMAN-IBGZPJMESA-N 1 0 382.508 2.727 50 10 GFCARO CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000004330379 570573478 /nfs/dbraw/zinc/57/34/78/570573478.db2.gz OLSZOSLKASIFCO-HXUWFJFHSA-N 1 0 382.508 2.673 50 10 GFCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1C ZINC000004330404 570573520 /nfs/dbraw/zinc/57/35/20/570573520.db2.gz GXFLUCTZBCSKEC-FQEVSTJZSA-N 1 0 382.508 2.727 50 10 GFCARO CCOc1cccc(C[N@@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)c1O ZINC000020598891 210350881 /nfs/dbraw/zinc/35/08/81/210350881.db2.gz IPQKBOPXQQPDEG-KRWDZBQOSA-N 1 0 376.522 2.921 50 10 GFCARO CCn1cc(CN2CCC[C@H]([NH+]3CCN(c4ccc(OC)cc4)CC3)C2)cn1 ZINC000020453732 210335635 /nfs/dbraw/zinc/33/56/35/210335635.db2.gz CSXKXYJTKZALFF-NRFANRHFSA-N 1 0 383.540 2.698 50 10 GFCARO Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022733803 570541284 /nfs/dbraw/zinc/54/12/84/570541284.db2.gz XAWMMIMRQKXBSK-HSZRJFAPSA-N 1 0 392.547 2.706 50 10 GFCARO CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000004330428 570573799 /nfs/dbraw/zinc/57/37/99/570573799.db2.gz MTGGZIUNDXHQGZ-HXUWFJFHSA-N 1 0 398.507 2.509 50 10 GFCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+](C)C)cc1C ZINC000008963998 211599778 /nfs/dbraw/zinc/59/97/78/211599778.db2.gz SHLQGGUEPQQCPL-OAQYLSRUSA-N 1 0 394.519 2.653 50 10 GFCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(F)c3)[NH+](C)C)ccc21 ZINC000013008635 136200687 /nfs/dbraw/zinc/20/06/87/136200687.db2.gz BMSZPCMDORQPDO-HXUWFJFHSA-N 1 0 398.482 2.566 50 10 GFCARO COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc(CO)o4)C3)CC2)cc1 ZINC000023373301 570357881 /nfs/dbraw/zinc/35/78/81/570357881.db2.gz PHBPXEPLKGROMF-LJQANCHMSA-N 1 0 385.508 2.567 50 10 GFCARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005340506 570556912 /nfs/dbraw/zinc/55/69/12/570556912.db2.gz MZWNIOUGZHKMAN-LJQANCHMSA-N 1 0 382.508 2.727 50 10 GFCARO CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000004330478 570574655 /nfs/dbraw/zinc/57/46/55/570574655.db2.gz QWQAZOAQBQUPGY-IBGZPJMESA-N 1 0 398.507 2.509 50 10 GFCARO OCC1CCN(c2ncc3c(n2)CCC[C@@H]3[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000011813336 570583374 /nfs/dbraw/zinc/58/33/74/570583374.db2.gz RXXYAPKBZXPALY-FQEVSTJZSA-N 1 0 394.519 2.787 50 10 GFCARO COc1ccc(N2CCN(C(=O)CC[N@@H+]3CCc4sccc4C3)CC2)cc1 ZINC000032776789 570799145 /nfs/dbraw/zinc/79/91/45/570799145.db2.gz JCJHAKPGXPWDDZ-UHFFFAOYSA-N 1 0 385.533 2.854 50 10 GFCARO CCc1ccc(/C=C2/SC(=S)N(CCC(=O)OCC[NH+](C)C)C2=O)cc1 ZINC000002951820 209399650 /nfs/dbraw/zinc/39/96/50/209399650.db2.gz VRSIVSOELLXLLB-DTQAZKPQSA-N 1 0 392.546 2.945 50 10 GFCARO CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccccc2Cl)[NH+](C)C)cc1 ZINC000005098899 551096701 /nfs/dbraw/zinc/09/67/01/551096701.db2.gz CISADTLSVBUPEL-KRWDZBQOSA-N 1 0 381.929 2.987 50 10 GFCARO Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000005098928 570416183 /nfs/dbraw/zinc/41/61/83/570416183.db2.gz CQHOJUWAUDRTQZ-LJQANCHMSA-N 1 0 375.538 2.951 50 10 GFCARO CCOc1cccc(C[N@@H+]2CCN(Cc3cccs3)[C@H](CCO)C2)c1O ZINC000039388260 570590952 /nfs/dbraw/zinc/59/09/52/570590952.db2.gz IPQKBOPXQQPDEG-QGZVFWFLSA-N 1 0 376.522 2.921 50 10 GFCARO COc1ccc(C(=O)N2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)cc1 ZINC000025475622 570753966 /nfs/dbraw/zinc/75/39/66/570753966.db2.gz FQDNBDZLPZDBLC-UHFFFAOYSA-N 1 0 377.444 2.907 50 10 GFCARO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3ccccc3F)CC2)cc1 ZINC000032765931 570802966 /nfs/dbraw/zinc/80/29/66/570802966.db2.gz HKUHCGKBHWMWKM-UHFFFAOYSA-N 1 0 385.483 2.705 50 10 GFCARO COc1ccc(/C=C2/SC(=O)N(CC(=O)OCC[NH+](C)C)C2=S)cc1 ZINC000016873064 551112518 /nfs/dbraw/zinc/11/25/18/551112518.db2.gz XMSMOXHKSOTNSX-GXDHUFHOSA-N 1 0 380.491 2.637 50 10 GFCARO O=C(CN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)NCc1ccccc1 ZINC000023256924 210437753 /nfs/dbraw/zinc/43/77/53/210437753.db2.gz CYWSDRZZIZHJGF-UHFFFAOYSA-N 1 0 389.499 2.979 50 10 GFCARO C[NH+](C)CCNc1cc(N2CCOCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000004961920 570383443 /nfs/dbraw/zinc/38/34/43/570383443.db2.gz QLNDYJMNWAIJGM-UHFFFAOYSA-N 1 0 392.459 2.849 50 10 GFCARO Cc1cc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccc1F ZINC000005098931 570416011 /nfs/dbraw/zinc/41/60/11/570416011.db2.gz QQWLTQAEXLOYLB-IBGZPJMESA-N 1 0 379.501 2.781 50 10 GFCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2Cl)[NH+](C)C)cc1 ZINC000004330402 570573432 /nfs/dbraw/zinc/57/34/32/570573432.db2.gz PFHSPABNZZZWHZ-SFHVURJKSA-N 1 0 388.899 2.764 50 10 GFCARO CCOc1cccc(C[N@@H+]2CCN(Cc3ccsc3)[C@H](CCO)C2)c1O ZINC000039485036 570592925 /nfs/dbraw/zinc/59/29/25/570592925.db2.gz VOUMDVDAFHYTEL-GOSISDBHSA-N 1 0 376.522 2.921 50 10 GFCARO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3ccccc3C)CC2)cc1 ZINC000032764132 570801223 /nfs/dbraw/zinc/80/12/23/570801223.db2.gz VTTJHWYBCFNESP-UHFFFAOYSA-N 1 0 381.520 2.875 50 10 GFCARO CN1CCCc2cc([C@H](CNC(=O)c3cccs3)N3CC[NH+](C)CC3)ccc21 ZINC000022734777 136204555 /nfs/dbraw/zinc/20/45/55/136204555.db2.gz YPULMPNGJODRNG-FQEVSTJZSA-N 1 0 398.576 2.849 50 10 GFCARO COc1cccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c1O ZINC000022852470 570331435 /nfs/dbraw/zinc/33/14/35/570331435.db2.gz OSODXLBUXSYQFB-QGZVFWFLSA-N 1 0 392.446 2.748 50 10 GFCARO CN(C)c1ccc([C@@H](CNS(=O)(=O)CCc2ccccc2)[NH+](C)C)cc1 ZINC000005098917 570416050 /nfs/dbraw/zinc/41/60/50/570416050.db2.gz RIPUKUYEVURKJZ-HXUWFJFHSA-N 1 0 375.538 2.517 50 10 GFCARO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(F)cc2F)[NH+](C)C)cc1 ZINC000005098894 570416117 /nfs/dbraw/zinc/41/61/17/570416117.db2.gz ISYQNWXYSCNQOD-QGZVFWFLSA-N 1 0 383.464 2.612 50 10 GFCARO COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4cc[nH+]cc4)C3)CC2)cc1 ZINC000021707288 210389789 /nfs/dbraw/zinc/38/97/89/210389789.db2.gz OXCYLGCQTQSHEG-SFHVURJKSA-N 1 0 380.492 2.655 50 10 GFCARO COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)CCSC)C3)CC2)cc1 ZINC000019837890 210302050 /nfs/dbraw/zinc/30/20/50/210302050.db2.gz BZTWPKRUVZCDEG-GOSISDBHSA-N 1 0 377.554 2.561 50 10 GFCARO CN1CCCc2cc([C@H](CNC(=O)c3ccccc3)N3CC[NH+](C)CC3)ccc21 ZINC000022734854 136204635 /nfs/dbraw/zinc/20/46/35/136204635.db2.gz BUFLLWSYCJVTBD-QHCPKHFHSA-N 1 0 392.547 2.788 50 10 GFCARO C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccc(F)cc3Cl)cc2)CC1 ZINC000004362634 570371121 /nfs/dbraw/zinc/37/11/21/570371121.db2.gz YTSSIZTZUWIYCL-UHFFFAOYSA-N 1 0 397.903 2.709 50 10 GFCARO COc1ccc(O)c(CN2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)c1 ZINC000036379415 570564035 /nfs/dbraw/zinc/56/40/35/570564035.db2.gz HQVPQNFWKWUNCD-OAQYLSRUSA-N 1 0 384.520 2.902 50 10 GFCARO COc1cccc(CN2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)c1O ZINC000036379414 570564112 /nfs/dbraw/zinc/56/41/12/570564112.db2.gz YKNWZOKVVDBCIJ-OAQYLSRUSA-N 1 0 384.520 2.902 50 10 GFCARO CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000004330377 570573417 /nfs/dbraw/zinc/57/34/17/570573417.db2.gz OLSZOSLKASIFCO-FQEVSTJZSA-N 1 0 382.508 2.673 50 10 GFCARO Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000004330416 570573467 /nfs/dbraw/zinc/57/34/67/570573467.db2.gz VGTOOHSPDHRRSA-HXUWFJFHSA-N 1 0 382.508 2.727 50 10 GFCARO O=C(C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)N1CCc2ccccc2C1 ZINC000012984014 210040705 /nfs/dbraw/zinc/04/07/05/210040705.db2.gz AHYWBLQNIVQHQL-UHFFFAOYSA-N 1 0 394.471 2.918 50 10 GFCARO C[NH+](C)CCOC(=O)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000002239754 209352813 /nfs/dbraw/zinc/35/28/13/209352813.db2.gz JBQPNBJHWUEOEE-SQFISAMPSA-N 1 0 378.519 2.773 50 10 GFCARO Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005098930 570416128 /nfs/dbraw/zinc/41/61/28/570416128.db2.gz SJSUXVSYZPYNDD-GOSISDBHSA-N 1 0 379.501 2.781 50 10 GFCARO COc1ccc2c3c(n(CC[NH+](C)C)c(=O)c2c1OC)-c1ccccc1C3=O ZINC000524729154 570420280 /nfs/dbraw/zinc/42/02/80/570420280.db2.gz GNRJATMQOZLFRY-UHFFFAOYSA-N 1 0 378.428 2.792 50 10 GFCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1F ZINC000004330453 570574765 /nfs/dbraw/zinc/57/47/65/570574765.db2.gz JJHUJRIHCBRCPQ-LJQANCHMSA-N 1 0 386.471 2.558 50 10 GFCARO CCOc1cccc(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)c1O ZINC000038145417 570578721 /nfs/dbraw/zinc/57/87/21/570578721.db2.gz HHZNTKHCALSYGC-OAQYLSRUSA-N 1 0 384.520 2.902 50 10 GFCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3F)[NH+](C)C)ccc21 ZINC000013008613 136200714 /nfs/dbraw/zinc/20/07/14/136200714.db2.gz XUKUOPIKZMGPIQ-HXUWFJFHSA-N 1 0 398.482 2.566 50 10 GFCARO Cc1cccc(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2SCCC3)c1 ZINC000002966140 570525341 /nfs/dbraw/zinc/52/53/41/570525341.db2.gz QPLMEEGDYHAEES-NRFANRHFSA-N 1 0 383.493 2.937 50 10 GFCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000004330544 570574806 /nfs/dbraw/zinc/57/48/06/570574806.db2.gz SNUBVKTUQZUPII-HXUWFJFHSA-N 1 0 398.482 2.784 50 10 GFCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+](C)C)cc1C ZINC000008963997 221065284 /nfs/dbraw/zinc/06/52/84/221065284.db2.gz SHLQGGUEPQQCPL-NRFANRHFSA-N 1 0 394.519 2.653 50 10 GFCARO CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3)[NH+]3CCCC3)ccc21 ZINC000008964140 221065901 /nfs/dbraw/zinc/06/59/01/221065901.db2.gz KSVDRNXBABGTTO-NRFANRHFSA-N 1 0 392.503 2.571 50 10 GFCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3)[NH+](C)C)ccc21 ZINC000013008631 136200668 /nfs/dbraw/zinc/20/06/68/136200668.db2.gz UVPKBWHGQDRUND-HXUWFJFHSA-N 1 0 398.482 2.566 50 10 GFCARO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000019901750 570228909 /nfs/dbraw/zinc/22/89/09/570228909.db2.gz BOBFMTXLDXLPHI-SFHVURJKSA-N 1 0 376.884 2.911 50 10 GFCARO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC000004330391 570573483 /nfs/dbraw/zinc/57/34/83/570573483.db2.gz WNFACUNZUPVOKU-HXUWFJFHSA-N 1 0 382.508 2.727 50 10 GFCARO CN1CCc2cc([C@H](CNC(=O)c3cc4ccccc4oc3=O)[NH+](C)C)ccc21 ZINC000008963102 221065937 /nfs/dbraw/zinc/06/59/37/221065937.db2.gz BQCOHCIVOVNPEQ-FQEVSTJZSA-N 1 0 391.471 2.818 50 10 GFCARO CSc1ccc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000067621563 222152160 /nfs/dbraw/zinc/15/21/60/222152160.db2.gz DLEFHIAKQUWWCE-UHFFFAOYSA-N 1 0 391.562 2.639 50 10 GFCARO COc1ccc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)c(O)c1 ZINC000019882871 570227690 /nfs/dbraw/zinc/22/76/90/570227690.db2.gz UTRSIPYEKSQUKC-UHFFFAOYSA-N 1 0 378.476 2.836 50 10 GFCARO CN(C)c1ccc(CN(Cc2ccccn2)C(=S)NCCC[NH+](C)C)cc1 ZINC000005878971 570459835 /nfs/dbraw/zinc/45/98/35/570459835.db2.gz AEQDXVQAOKFDOC-UHFFFAOYSA-N 1 0 385.581 2.976 50 10 GFCARO Cc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000022733589 570541437 /nfs/dbraw/zinc/54/14/37/570541437.db2.gz SZUAOQPZCWRWCX-HSZRJFAPSA-N 1 0 392.547 2.706 50 10 GFCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000004330342 570573383 /nfs/dbraw/zinc/57/33/83/570573383.db2.gz BCCFWAHPHHIFAK-GOSISDBHSA-N 1 0 388.899 2.764 50 10 GFCARO CC(=O)N1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000236609883 570978588 /nfs/dbraw/zinc/97/85/88/570978588.db2.gz NPJWLBGKDMZSBX-UHFFFAOYSA-N 1 0 385.430 2.643 50 10 GFCARO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c1 ZINC000013008544 136200758 /nfs/dbraw/zinc/20/07/58/136200758.db2.gz JURRHDSDLGLVNC-NRFANRHFSA-N 1 0 394.519 2.735 50 10 GFCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc(F)c2)[NH+]2CCCC2)cc1 ZINC000004330556 570574506 /nfs/dbraw/zinc/57/45/06/570574506.db2.gz JBZWDJIIJBEURC-FQEVSTJZSA-N 1 0 398.482 2.784 50 10 GFCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2F)[NH+]2CCCC2)cc1 ZINC000004330540 570574572 /nfs/dbraw/zinc/57/45/72/570574572.db2.gz SZXKNIUWYQKJNH-FQEVSTJZSA-N 1 0 398.482 2.784 50 10 GFCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2)[NH+]2CCCC2)cc1 ZINC000004330551 570574837 /nfs/dbraw/zinc/57/48/37/570574837.db2.gz JBZWDJIIJBEURC-HXUWFJFHSA-N 1 0 398.482 2.784 50 10 GFCARO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000012512047 221199931 /nfs/dbraw/zinc/19/99/31/221199931.db2.gz PJPYDQFASVETKG-MRXNPFEDSA-N 1 0 391.903 2.956 50 10 GFCARO CN1CCCc2cc([C@H](CNS(=O)(=O)c3cccs3)[NH+](C)C)ccc21 ZINC000008798777 136195672 /nfs/dbraw/zinc/19/56/72/136195672.db2.gz OTAVIQHDLKJNRO-KRWDZBQOSA-N 1 0 379.551 2.712 50 10 GFCARO Cc1cc(C)c(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000049740694 570665097 /nfs/dbraw/zinc/66/50/97/570665097.db2.gz CVWUABXFYYJKOJ-UHFFFAOYSA-N 1 0 387.549 2.842 50 10 GFCARO CCc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000005098890 551096432 /nfs/dbraw/zinc/09/64/32/551096432.db2.gz AVGAMFJQZWQOMK-KRWDZBQOSA-N 1 0 381.567 2.958 50 10 GFCARO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000005098927 570416032 /nfs/dbraw/zinc/41/60/32/570416032.db2.gz CQHOJUWAUDRTQZ-IBGZPJMESA-N 1 0 375.538 2.951 50 10 GFCARO CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(F)cc2F)[NH+](C)C)cc1 ZINC000005098895 570416039 /nfs/dbraw/zinc/41/60/39/570416039.db2.gz ISYQNWXYSCNQOD-KRWDZBQOSA-N 1 0 383.464 2.612 50 10 GFCARO CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+](C)C)cc1 ZINC000008963945 221065177 /nfs/dbraw/zinc/06/51/77/221065177.db2.gz UCTNLSCDKDWKSA-NRFANRHFSA-N 1 0 394.519 2.599 50 10 GFCARO COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)c4ccncc4)C3)CC2)cc1 ZINC000064131820 136156635 /nfs/dbraw/zinc/15/66/35/136156635.db2.gz GOLCTOJIIGFHHV-FQEVSTJZSA-N 1 0 380.492 2.517 50 10 GFCARO COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000048367483 570246878 /nfs/dbraw/zinc/24/68/78/570246878.db2.gz AAJFKKUXMFHAAH-HNNXBMFYSA-N 1 0 398.463 2.846 50 10 GFCARO COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc(CO)o4)C3)CC2)cc1 ZINC000023373304 570357919 /nfs/dbraw/zinc/35/79/19/570357919.db2.gz PHBPXEPLKGROMF-IBGZPJMESA-N 1 0 385.508 2.567 50 10 GFCARO COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005098842 204110772 /nfs/dbraw/zinc/11/07/72/204110772.db2.gz IXGWTSCLUINZCK-SFHVURJKSA-N 1 0 391.537 2.651 50 10 GFCARO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3c3cccn3C)CC2)cc1 ZINC000006980008 524410144 /nfs/dbraw/zinc/41/01/44/524410144.db2.gz CLACSZYGNADMJL-OAQYLSRUSA-N 1 0 382.508 2.519 50 10 GFCARO COc1cccc(C[NH+]2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)c1O ZINC000000795490 570223893 /nfs/dbraw/zinc/22/38/93/570223893.db2.gz IPKPYIDPQWITHA-UHFFFAOYSA-N 1 0 398.503 2.634 50 10 GFCARO CCOc1cccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c1O ZINC000023375088 570358371 /nfs/dbraw/zinc/35/83/71/570358371.db2.gz BYXGCYQRPBXMSQ-FQEVSTJZSA-N 1 0 388.483 2.999 50 10 GFCARO CN1CCc2cc([C@@H](CNC(=O)C3CCCCC3)N3CC[NH+](C)CC3)ccc21 ZINC000022733636 570541267 /nfs/dbraw/zinc/54/12/67/570541267.db2.gz YOQJMFIDJOPOML-JOCHJYFZSA-N 1 0 384.568 2.664 50 10 GFCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)c1 ZINC000004330410 570573402 /nfs/dbraw/zinc/57/34/02/570573402.db2.gz RDSMSLIVWABWJF-FQEVSTJZSA-N 1 0 382.508 2.727 50 10 GFCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2)[NH+]2CCCC2)cc1 ZINC000004330574 570575195 /nfs/dbraw/zinc/57/51/95/570575195.db2.gz LSUGNHSCOBDHBK-HXUWFJFHSA-N 1 0 380.492 2.644 50 10 GFCARO COc1ccc(OC)c([N+]2=C3SCCCN3[C@](O)(c3cccs3)C2)c1 ZINC000015953396 204585087 /nfs/dbraw/zinc/58/50/87/204585087.db2.gz ZCZHFLYNGJTLHG-GOSISDBHSA-N 1 0 377.511 2.936 50 10 GFCARO COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)c4cccc(O)c4)C3)CC2)cc1 ZINC000072167347 136167260 /nfs/dbraw/zinc/16/72/60/136167260.db2.gz OFDTXKZSPXJPKY-FQEVSTJZSA-N 1 0 395.503 2.828 50 10 GFCARO O=C1[C@H]2CC[C@H](C[N@@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)N1CC1CC1 ZINC000095370313 136178491 /nfs/dbraw/zinc/17/84/91/136178491.db2.gz PCRJNRXVAXFWAH-FXAWDEMLSA-N 1 0 397.519 2.717 50 10 GFCARO COCCSc1nnc(C2CC[NH+](Cc3cccc(OC)c3O)CC2)n1C ZINC000014988033 570870192 /nfs/dbraw/zinc/87/01/92/570870192.db2.gz NDKOPQTXEMSOQS-UHFFFAOYSA-N 1 0 392.525 2.647 50 10 GFCARO COc1ccc(N2CCC(N3CC[C@@H]([NH+]4CCCCCC4)[C@H](O)C3)CC2)cc1 ZINC000067909386 205267600 /nfs/dbraw/zinc/26/76/00/205267600.db2.gz SQMHNRFAONNMTG-DHIUTWEWSA-N 1 0 387.568 2.975 50 10 GFCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1C ZINC000004330408 570573375 /nfs/dbraw/zinc/57/33/75/570573375.db2.gz GXFLUCTZBCSKEC-HXUWFJFHSA-N 1 0 382.508 2.727 50 10 GFCARO Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000004330361 570573527 /nfs/dbraw/zinc/57/35/27/570573527.db2.gz SWQFNNSCLXELNL-FQEVSTJZSA-N 1 0 382.508 2.727 50 10 GFCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000004330547 570574841 /nfs/dbraw/zinc/57/48/41/570574841.db2.gz SNUBVKTUQZUPII-FQEVSTJZSA-N 1 0 398.482 2.784 50 10 GFCARO Cc1ccccc1[N+]1=C2SCCCN2[C@@](O)(c2ccc3c(c2)OCCO3)C1 ZINC000002966095 203978264 /nfs/dbraw/zinc/97/82/64/203978264.db2.gz YKCIJODVIITZBI-NRFANRHFSA-N 1 0 383.493 2.937 50 10 GFCARO C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000004362628 204040835 /nfs/dbraw/zinc/04/08/35/204040835.db2.gz ICXZDLIUAROBMP-UHFFFAOYSA-N 1 0 379.913 2.570 50 10 GFCARO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000004435023 204045018 /nfs/dbraw/zinc/04/50/18/204045018.db2.gz ZVWAYDAUKMSQGJ-UHFFFAOYSA-N 1 0 381.948 2.962 50 10 GFCARO COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005098843 204110642 /nfs/dbraw/zinc/11/06/42/204110642.db2.gz IXGWTSCLUINZCK-GOSISDBHSA-N 1 0 391.537 2.651 50 10 GFCARO Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1C ZINC000005098833 204111708 /nfs/dbraw/zinc/11/17/08/204111708.db2.gz QMHZJYMXFZHSNG-HXUWFJFHSA-N 1 0 375.538 2.951 50 10 GFCARO C[NH+](C)CCOC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000005555142 204140092 /nfs/dbraw/zinc/14/00/92/204140092.db2.gz VGILNAVAMRIRBY-ACCUITESSA-N 1 0 384.548 2.834 50 10 GFCARO CCn1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccc(OC)cc4)CC3)C2)cn1 ZINC000020453730 570258181 /nfs/dbraw/zinc/25/81/81/570258181.db2.gz CSXKXYJTKZALFF-OAQYLSRUSA-N 1 0 383.540 2.698 50 10 GFCARO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cc(F)ccc2F)[NH+](C)C)cc1 ZINC000005098870 204111015 /nfs/dbraw/zinc/11/10/15/204111015.db2.gz JIXJGVGWKXTNAB-QGZVFWFLSA-N 1 0 383.464 2.612 50 10 GFCARO CC(=O)Oc1ccc2ccc(O)c(C[NH+]3CCN(c4ncccn4)CC3)c2c1 ZINC000095464578 136179439 /nfs/dbraw/zinc/17/94/39/136179439.db2.gz QKKFICAFKJXKEB-UHFFFAOYSA-N 1 0 378.432 2.583 50 10 GFCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000004330344 570573364 /nfs/dbraw/zinc/57/33/64/570573364.db2.gz BCCFWAHPHHIFAK-SFHVURJKSA-N 1 0 388.899 2.764 50 10 GFCARO CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000004330481 570574692 /nfs/dbraw/zinc/57/46/92/570574692.db2.gz QWQAZOAQBQUPGY-LJQANCHMSA-N 1 0 398.507 2.509 50 10 GFCARO CN(C)c1ccc([C@H](CNS(=O)(=O)CCc2ccccc2)[NH+](C)C)cc1 ZINC000005098918 204111084 /nfs/dbraw/zinc/11/10/84/204111084.db2.gz RIPUKUYEVURKJZ-FQEVSTJZSA-N 1 0 375.538 2.517 50 10 GFCARO CCOc1cccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c1O ZINC000039552344 205043216 /nfs/dbraw/zinc/04/32/16/205043216.db2.gz BYXGCYQRPBXMSQ-HXUWFJFHSA-N 1 0 388.483 2.999 50 10 GFCARO CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)[NH+](C)C)ccc21 ZINC000008800574 570683235 /nfs/dbraw/zinc/68/32/35/570683235.db2.gz MDKZLJKFOBYKSG-LJQANCHMSA-N 1 0 393.940 2.914 50 10 GFCARO CN(C)c1ccc([C@H](CNC(=O)c2cccc(F)c2)N2CC[NH+](C)CC2)cc1 ZINC000022589176 207256484 /nfs/dbraw/zinc/25/64/84/207256484.db2.gz WBUNBKGGLFSSKJ-NRFANRHFSA-N 1 0 384.499 2.610 50 10 GFCARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CN1Cc1ccccc1 ZINC000023362749 207275408 /nfs/dbraw/zinc/27/54/08/207275408.db2.gz CMZWOCSXRCAIHJ-RTWAWAEBSA-N 1 0 381.520 2.993 50 10 GFCARO COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)CC(F)(F)F)C3)CC2)cc1 ZINC000055255868 132444770 /nfs/dbraw/zinc/44/47/70/132444770.db2.gz GJNVIAMEDOJQTL-MRXNPFEDSA-N 1 0 385.430 2.761 50 10 GFCARO CN1CCCc2cc([C@@H](CNS(=O)(=O)c3cccs3)[NH+](C)C)ccc21 ZINC000008798776 136195679 /nfs/dbraw/zinc/19/56/79/136195679.db2.gz OTAVIQHDLKJNRO-QGZVFWFLSA-N 1 0 379.551 2.712 50 10 GFCARO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3c3cccn3C)CC2)cc1 ZINC000006980005 524410946 /nfs/dbraw/zinc/41/09/46/524410946.db2.gz CLACSZYGNADMJL-NRFANRHFSA-N 1 0 382.508 2.519 50 10 GFCARO CN1CCc2cc([C@@H](CNC(=O)c3ccc(F)cc3)N3CC[NH+](C)CC3)ccc21 ZINC000022733664 570541454 /nfs/dbraw/zinc/54/14/54/570541454.db2.gz RLTCVJSFXZHJFC-JOCHJYFZSA-N 1 0 396.510 2.537 50 10 GFCARO COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4cnn(C)c4C)C3)CC2)cc1 ZINC000022914428 207263319 /nfs/dbraw/zinc/26/33/19/207263319.db2.gz OWACDPQMCFBINS-OAQYLSRUSA-N 1 0 383.540 2.524 50 10 GFCARO COc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(OC)c3O)CC2)cc1 ZINC000015855974 221348210 /nfs/dbraw/zinc/34/82/10/221348210.db2.gz PDNWQMXMCKZTMV-UHFFFAOYSA-N 1 0 384.476 2.938 50 10 GFCARO CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000005098873 551096478 /nfs/dbraw/zinc/09/64/78/551096478.db2.gz ORLJSRYIWFKBSU-SFHVURJKSA-N 1 0 381.929 2.987 50 10 GFCARO CN(C)c1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1 ZINC000014980564 207037935 /nfs/dbraw/zinc/03/79/35/207037935.db2.gz JVKNLZDDMVVQPO-FQEVSTJZSA-N 1 0 396.539 2.807 50 10 GFCARO CCOc1cccc(C[N@@H+]2CCN(Cc3ccsc3)[C@@H](CCO)C2)c1O ZINC000023357989 207275483 /nfs/dbraw/zinc/27/54/83/207275483.db2.gz VOUMDVDAFHYTEL-SFHVURJKSA-N 1 0 376.522 2.921 50 10 GFCARO COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)c4cccc(O)c4)C3)CC2)cc1 ZINC000072167346 136167227 /nfs/dbraw/zinc/16/72/27/136167227.db2.gz OFDTXKZSPXJPKY-HXUWFJFHSA-N 1 0 395.503 2.828 50 10 GFCARO Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000004330613 570575127 /nfs/dbraw/zinc/57/51/27/570575127.db2.gz IARCDNJWUSTONF-NRFANRHFSA-N 1 0 394.519 2.953 50 10 GFCARO Cc1cc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccc1F ZINC000005098932 570416147 /nfs/dbraw/zinc/41/61/47/570416147.db2.gz QQWLTQAEXLOYLB-LJQANCHMSA-N 1 0 379.501 2.781 50 10 GFCARO COc1ccc(CN2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)c(O)c1 ZINC000036379413 570564157 /nfs/dbraw/zinc/56/41/57/570564157.db2.gz XTLSGTPPMWYOBB-OAQYLSRUSA-N 1 0 384.520 2.902 50 10 GFCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2F)[NH+]2CCCC2)cc1 ZINC000004330533 570574708 /nfs/dbraw/zinc/57/47/08/570574708.db2.gz SZXKNIUWYQKJNH-HXUWFJFHSA-N 1 0 398.482 2.784 50 10 GFCARO CN1CCN(c2ccc(CN3C[C@H]([NH3+])[C@@H](c4ccc(F)cc4)C3)cc2F)CC1 ZINC000221878522 206258450 /nfs/dbraw/zinc/25/84/50/206258450.db2.gz WRTTYIGJNLLQHI-CTNGQTDRSA-N 1 0 386.490 2.643 50 10 GFCARO Cc1[nH]c2ccc(NC=C3C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)cc2[nH+]1 ZINC000101114120 208387756 /nfs/dbraw/zinc/38/77/56/208387756.db2.gz YTZAYFFVVBXAIZ-GDNBJRDFSA-N 1 0 375.388 2.759 50 10 GFCARO CN1CCc2cc([C@@H](CNC(=O)NC3CCCCC3)N3CC[NH+](C)CC3)ccc21 ZINC000035597252 570399882 /nfs/dbraw/zinc/39/98/82/570399882.db2.gz YVVBNPVEDFOWIC-JOCHJYFZSA-N 1 0 399.583 2.599 50 10 GFCARO COc1ccc([N+]2=C3SCCCN3[C@](O)(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000002965950 570525176 /nfs/dbraw/zinc/52/51/76/570525176.db2.gz OPTNKGOALVJGRZ-LJQANCHMSA-N 1 0 386.453 2.774 50 10 GFCARO Cc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c1 ZINC000022733797 570541668 /nfs/dbraw/zinc/54/16/68/570541668.db2.gz KJIGSHXAYZYENH-HSZRJFAPSA-N 1 0 392.547 2.706 50 10 GFCARO COc1ccc(O)c(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c1 ZINC000039405895 570590645 /nfs/dbraw/zinc/59/06/45/570590645.db2.gz APQUSVMXDQAESG-QGZVFWFLSA-N 1 0 392.446 2.748 50 10 GFCARO CC[NH+](CC)CCNC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000004745895 570960349 /nfs/dbraw/zinc/96/03/49/570960349.db2.gz BKPCJLKQPXQNBI-QINSGFPZSA-N 1 0 377.535 2.589 50 10 GFCARO CCc1ccc(/C=C2\SC(=S)N(CCC(=O)OCC[NH+](C)C)C2=O)cc1 ZINC000015746512 207060007 /nfs/dbraw/zinc/06/00/07/207060007.db2.gz VRSIVSOELLXLLB-SSZFMOIBSA-N 1 0 392.546 2.945 50 10 GFCARO CN1CCN(c2ccc(CN3C[C@@H](c4ccc(F)cc4)[C@H]([NH3+])C3)cc2F)CC1 ZINC000097096744 136188048 /nfs/dbraw/zinc/18/80/48/136188048.db2.gz WRTTYIGJNLLQHI-PZJWPPBQSA-N 1 0 386.490 2.643 50 10 GFCARO Cc1cc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)s1 ZINC000004362658 570371075 /nfs/dbraw/zinc/37/10/75/570371075.db2.gz JEPYDRIKKCWFRT-UHFFFAOYSA-N 1 0 379.551 2.595 50 10 GFCARO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc4c(c3)CCC4)CC2)cc1 ZINC000004819380 570408623 /nfs/dbraw/zinc/40/86/23/570408623.db2.gz HMDPMSSIPLNPBJ-NRFANRHFSA-N 1 0 382.504 2.746 50 10 GFCARO Cc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000022733586 570541346 /nfs/dbraw/zinc/54/13/46/570541346.db2.gz SZUAOQPZCWRWCX-QHCPKHFHSA-N 1 0 392.547 2.706 50 10 GFCARO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000004330355 570573503 /nfs/dbraw/zinc/57/35/03/570573503.db2.gz FENRCNVNHRNXDQ-SFHVURJKSA-N 1 0 388.899 2.764 50 10 GFCARO C[N@H+](CCc1ccccn1)[C@@H]1CCN(Cc2cc(Cl)ccc2O)C[C@H]1O ZINC000011821562 570586269 /nfs/dbraw/zinc/58/62/69/570586269.db2.gz QKVDUQALPQSUHX-UYAOXDASSA-N 1 0 375.900 2.550 50 10 GFCARO CCOc1cccc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)c1O ZINC000019224380 210232716 /nfs/dbraw/zinc/23/27/16/210232716.db2.gz HHZNTKHCALSYGC-NRFANRHFSA-N 1 0 384.520 2.902 50 10 GFCARO COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccccc3O)CC2)cc1OC ZINC000000795467 209264601 /nfs/dbraw/zinc/26/46/01/209264601.db2.gz PAVWGIWCNAOXOQ-UHFFFAOYSA-N 1 0 398.503 2.980 50 10 GFCARO COc1cccc(-c2ccc(O)c(C[NH+]3CCN(c4ncccn4)CC3)c2)n1 ZINC000020118505 210317984 /nfs/dbraw/zinc/31/79/84/210317984.db2.gz DUABQVTVEOTIJX-UHFFFAOYSA-N 1 0 377.448 2.575 50 10 GFCARO COc1ccc(N2CCN(C(=O)C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000033128984 570818122 /nfs/dbraw/zinc/81/81/22/570818122.db2.gz ROAWHOPBQRIVKC-UHFFFAOYSA-N 1 0 380.492 2.655 50 10 GFCARO COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1C ZINC000005098841 570416070 /nfs/dbraw/zinc/41/60/70/570416070.db2.gz ZUIQBICKXPIGGI-LJQANCHMSA-N 1 0 391.537 2.651 50 10 GFCARO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1 ZINC000004330510 570574732 /nfs/dbraw/zinc/57/47/32/570574732.db2.gz BEFIIXIGLRKQDM-OAQYLSRUSA-N 1 0 394.519 2.953 50 10 GFCARO OCC1CCN(c2ncc3c(n2)CCC[C@H]3[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000011813335 570583535 /nfs/dbraw/zinc/58/35/35/570583535.db2.gz RXXYAPKBZXPALY-HXUWFJFHSA-N 1 0 394.519 2.787 50 10 GFCARO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000004330353 570573248 /nfs/dbraw/zinc/57/32/48/570573248.db2.gz FENRCNVNHRNXDQ-GOSISDBHSA-N 1 0 388.899 2.764 50 10 GFCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1F ZINC000004330451 570574619 /nfs/dbraw/zinc/57/46/19/570574619.db2.gz JJHUJRIHCBRCPQ-IBGZPJMESA-N 1 0 386.471 2.558 50 10 GFCARO CN(C)c1ccc([C@H](CNC(=O)NC2CCCCC2)N2CC[NH+](C)CC2)cc1 ZINC000022417534 570889859 /nfs/dbraw/zinc/88/98/59/570889859.db2.gz HBFPUPNUUFVARC-NRFANRHFSA-N 1 0 387.572 2.673 50 10 GFCARO Cc1ccc(/C=C2/SC(=S)N(CCC(=O)OCC[NH+](C)C)C2=O)cc1 ZINC000002372050 209360267 /nfs/dbraw/zinc/36/02/67/209360267.db2.gz JVQMGRFULLEKQR-NTCAYCPXSA-N 1 0 378.519 2.691 50 10 GFCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1 ZINC000013008532 136200675 /nfs/dbraw/zinc/20/06/75/136200675.db2.gz DCOYIMDJTGZKIM-OAQYLSRUSA-N 1 0 394.519 2.735 50 10 GFCARO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccccc2Cl)[NH+](C)C)cc1 ZINC000005098898 551096519 /nfs/dbraw/zinc/09/65/19/551096519.db2.gz CISADTLSVBUPEL-QGZVFWFLSA-N 1 0 381.929 2.987 50 10 GFCARO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000005098872 551096796 /nfs/dbraw/zinc/09/67/96/551096796.db2.gz ORLJSRYIWFKBSU-GOSISDBHSA-N 1 0 381.929 2.987 50 10 GFCARO COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4cnn(C)c4C)C3)CC2)cc1 ZINC000022914433 570334549 /nfs/dbraw/zinc/33/45/49/570334549.db2.gz OWACDPQMCFBINS-NRFANRHFSA-N 1 0 383.540 2.524 50 10 GFCARO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000024088485 570345353 /nfs/dbraw/zinc/34/53/53/570345353.db2.gz JCCQLRBPCMMKKE-UHFFFAOYSA-N 1 0 385.483 2.705 50 10 GFCARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c(O)c1 ZINC000023145726 570346937 /nfs/dbraw/zinc/34/69/37/570346937.db2.gz YIALBQZDFDJXAA-KRWDZBQOSA-N 1 0 392.446 2.748 50 10 GFCARO C[NH+]1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(Cl)cc3)cc2)CC1 ZINC000004362639 570371048 /nfs/dbraw/zinc/37/10/48/570371048.db2.gz SZXYLQCFPUYUFG-UHFFFAOYSA-N 1 0 393.940 2.711 50 10 GFCARO CN1CCc2cc([C@H](CNC(=O)c3cccc(F)c3)N3CC[NH+](C)CC3)ccc21 ZINC000022733678 570541541 /nfs/dbraw/zinc/54/15/41/570541541.db2.gz YKDYMLLTZJLCTA-QFIPXVFZSA-N 1 0 396.510 2.537 50 10 GFCARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CN1Cc1ccccc1 ZINC000020779450 210361501 /nfs/dbraw/zinc/36/15/01/210361501.db2.gz ZTKZJSJARIGFFW-SFTDATJTSA-N 1 0 381.520 2.872 50 10 GFCARO CCc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000005098891 551096645 /nfs/dbraw/zinc/09/66/45/551096645.db2.gz AVGAMFJQZWQOMK-QGZVFWFLSA-N 1 0 381.567 2.958 50 10 GFCARO CN1CCc2cc([C@H](CNC(=O)c3ccccc3F)N3CC[NH+](C)CC3)ccc21 ZINC000022733655 570541575 /nfs/dbraw/zinc/54/15/75/570541575.db2.gz KPGVNBVKXWQMTE-QFIPXVFZSA-N 1 0 396.510 2.537 50 10 GFCARO Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000004330365 570573456 /nfs/dbraw/zinc/57/34/56/570573456.db2.gz SWQFNNSCLXELNL-HXUWFJFHSA-N 1 0 382.508 2.727 50 10 GFCARO Cc1cccc(C[NH+]2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)c1O ZINC000067676134 211014744 /nfs/dbraw/zinc/01/47/44/211014744.db2.gz FJQBVYUJRPEAKX-UHFFFAOYSA-N 1 0 378.476 2.965 50 10 GFCARO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1 ZINC000004330508 570574814 /nfs/dbraw/zinc/57/48/14/570574814.db2.gz BEFIIXIGLRKQDM-NRFANRHFSA-N 1 0 394.519 2.953 50 10 GFCARO C[NH+](C)CCCNC=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000100257022 570346396 /nfs/dbraw/zinc/34/63/96/570346396.db2.gz VPFFRUVMJPSMTN-CYVLTUHYSA-N 1 0 393.447 2.771 50 10 GFCARO O=C(c1cn(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)nn1)N1CCCC1 ZINC000012079475 221148640 /nfs/dbraw/zinc/14/86/40/221148640.db2.gz HTGRTUQGAUOFLB-UHFFFAOYSA-N 1 0 389.887 2.710 50 10 GFCARO CN1CCN(c2ccc(CN3C[C@@H]([NH3+])[C@@H](c4ccc(F)cc4)C3)cc2F)CC1 ZINC000097096743 136188029 /nfs/dbraw/zinc/18/80/29/136188029.db2.gz WRTTYIGJNLLQHI-TZIWHRDSSA-N 1 0 386.490 2.643 50 10 GFCARO COc1ccc(CC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000011853379 136199865 /nfs/dbraw/zinc/19/98/65/136199865.db2.gz SVTPCNUZEPZVOE-UHFFFAOYSA-N 1 0 397.519 2.575 50 10 GFCARO C[NH+]1CCN(c2ccc(CNC(=O)C3(c4ccccc4)CCOCC3)cc2)CC1 ZINC000072119194 222207305 /nfs/dbraw/zinc/20/73/05/222207305.db2.gz WNWXCZRHICFYGB-UHFFFAOYSA-N 1 0 393.531 2.803 50 10 GFCARO Cc1ccc(/C=C2\SC(=S)N(CCC(=O)OCC[NH+](C)C)C2=O)cc1 ZINC000002372052 570284567 /nfs/dbraw/zinc/28/45/67/570284567.db2.gz JVQMGRFULLEKQR-QINSGFPZSA-N 1 0 378.519 2.691 50 10 GFCARO Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022733800 570541446 /nfs/dbraw/zinc/54/14/46/570541446.db2.gz XAWMMIMRQKXBSK-QHCPKHFHSA-N 1 0 392.547 2.706 50 10 GFCARO Cc1cccc(N2C[C@@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2SCCC3)c1 ZINC000002966141 220590932 /nfs/dbraw/zinc/59/09/32/220590932.db2.gz QPLMEEGDYHAEES-OAQYLSRUSA-N 1 0 383.493 2.937 50 10 GFCARO CN(C)c1ccc([C@H](CNS(=O)(=O)c2cc(F)ccc2F)[NH+](C)C)cc1 ZINC000005098871 570416211 /nfs/dbraw/zinc/41/62/11/570416211.db2.gz JIXJGVGWKXTNAB-KRWDZBQOSA-N 1 0 383.464 2.612 50 10 GFCARO CN(C)c1ccc(CN(Cc2cccnc2)C(=S)NCCC[NH+](C)C)cc1 ZINC000005878973 570459798 /nfs/dbraw/zinc/45/97/98/570459798.db2.gz ZYYKWQXRIIILOY-UHFFFAOYSA-N 1 0 385.581 2.976 50 10 GFCARO Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C)c(C)cc3O)CC2)s1 ZINC000015286344 221334233 /nfs/dbraw/zinc/33/42/33/221334233.db2.gz AGZYDPUGFHLSAI-UHFFFAOYSA-N 1 0 380.535 2.885 50 10 GFCARO COc1ccc(N2CC[NH+](CCCN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000057750202 536697044 /nfs/dbraw/zinc/69/70/44/536697044.db2.gz AMIISXPVPIMHAL-UHFFFAOYSA-N 1 0 379.460 2.504 50 10 GFCARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1C ZINC000005098840 570416159 /nfs/dbraw/zinc/41/61/59/570416159.db2.gz ZUIQBICKXPIGGI-IBGZPJMESA-N 1 0 391.537 2.651 50 10 GFCARO COc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+](C)C)c1OC ZINC000008963022 221065231 /nfs/dbraw/zinc/06/52/31/221065231.db2.gz WHWGQZXGJAVXSC-IBGZPJMESA-N 1 0 383.492 2.729 50 10 GFCARO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000014316944 221308371 /nfs/dbraw/zinc/30/83/71/221308371.db2.gz KTTMHEAFYHIYKG-UHFFFAOYSA-N 1 0 397.427 2.987 50 10 GFCARO O=C(NC1CC1)c1ccc(N2CC[C@@H]([NH2+]Cc3cc(Cl)ccc3O)C2)nc1 ZINC000065256987 222117606 /nfs/dbraw/zinc/11/76/06/222117606.db2.gz HMKOGLNZHQXQCJ-QGZVFWFLSA-N 1 0 386.883 2.701 50 10 GFCARO Oc1ccc2ccccc2c1C[NH+]1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000025476432 570414585 /nfs/dbraw/zinc/41/45/85/570414585.db2.gz DLULGVIJTASWIO-UHFFFAOYSA-N 1 0 386.459 2.843 50 10 GFCARO Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005098929 570416057 /nfs/dbraw/zinc/41/60/57/570416057.db2.gz SJSUXVSYZPYNDD-SFHVURJKSA-N 1 0 379.501 2.781 50 10 GFCARO COc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1OC ZINC000005097813 570417129 /nfs/dbraw/zinc/41/71/29/570417129.db2.gz IGCMCLHHVUGKPZ-IBGZPJMESA-N 1 0 385.508 2.731 50 10 GFCARO [NH3+][C@H]1CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000238044146 570427136 /nfs/dbraw/zinc/42/71/36/570427136.db2.gz FGDNKNOCGFMXBW-ZFWWWQNUSA-N 1 0 385.430 2.676 50 10 GFCARO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000238017515 570427234 /nfs/dbraw/zinc/42/72/34/570427234.db2.gz FGDNKNOCGFMXBW-HIFRSBDPSA-N 1 0 385.430 2.676 50 10 GFCARO CCC(=O)N[C@H](c1nnc2n1CC[N@@H+](Cc1ccc(N(C)C)cc1)CC2)C(C)C ZINC000012149640 221160650 /nfs/dbraw/zinc/16/06/50/221160650.db2.gz JWNOTTYOGGJHAY-NRFANRHFSA-N 1 0 398.555 2.626 50 10 GFCARO COc1cccc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)c1O ZINC000019850552 570225825 /nfs/dbraw/zinc/22/58/25/570225825.db2.gz RYIRHWNORFTXAB-UHFFFAOYSA-N 1 0 378.476 2.836 50 10 GFCARO Cc1ccccc1[N+]1=C2SCCCN2[C@](O)(c2ccc3c(c2)OCCO3)C1 ZINC000002966097 570525327 /nfs/dbraw/zinc/52/53/27/570525327.db2.gz YKCIJODVIITZBI-OAQYLSRUSA-N 1 0 383.493 2.937 50 10 GFCARO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC000004330386 570573292 /nfs/dbraw/zinc/57/32/92/570573292.db2.gz WNFACUNZUPVOKU-FQEVSTJZSA-N 1 0 382.508 2.727 50 10 GFCARO C[NH+](C)CCOC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001829308 212257743 /nfs/dbraw/zinc/25/77/43/212257743.db2.gz VGILNAVAMRIRBY-QBFSEMIESA-N 1 0 384.548 2.834 50 10 GFCARO COc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000002965944 220591111 /nfs/dbraw/zinc/59/11/11/220591111.db2.gz OEMWYSRVGVLHOJ-IBGZPJMESA-N 1 0 386.453 2.774 50 10 GFCARO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+](C)C)c1C ZINC000008963971 221065429 /nfs/dbraw/zinc/06/54/29/221065429.db2.gz VDMNRSWIUWESKK-NRFANRHFSA-N 1 0 394.519 2.653 50 10 GFCARO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(N(C)C)cc2)C3)CC1 ZINC000015779513 221344797 /nfs/dbraw/zinc/34/47/97/221344797.db2.gz ZFKCLJOOJFEWEG-UHFFFAOYSA-N 1 0 394.567 2.633 50 10 GFCARO COc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1OC ZINC000005097812 570417174 /nfs/dbraw/zinc/41/71/74/570417174.db2.gz IGCMCLHHVUGKPZ-LJQANCHMSA-N 1 0 385.508 2.731 50 10 GFCARO Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000004330415 570573287 /nfs/dbraw/zinc/57/32/87/570573287.db2.gz VGTOOHSPDHRRSA-FQEVSTJZSA-N 1 0 382.508 2.727 50 10 GFCARO CCn1c(CN2CCN(c3ccc(OC)cc3)C(C)(C)C2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244874870 570697661 /nfs/dbraw/zinc/69/76/61/570697661.db2.gz XIRQDOMEJFMKKD-QAQDUYKDSA-N 1 0 398.555 2.612 50 10 GFCARO C[NH+](C)CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S ZINC000013552829 221273062 /nfs/dbraw/zinc/27/30/62/221273062.db2.gz QKPQJCLTTCKBJX-GXDHUFHOSA-N 1 0 397.953 2.609 50 10 GFCARO COc1ccc(N2CC[N@H+](Cc3cccc(OCC(N)=O)c3)CC2(C)C)cc1 ZINC000072159284 136167184 /nfs/dbraw/zinc/16/71/84/136167184.db2.gz CXJQQVKGTHNYLL-UHFFFAOYSA-N 1 0 383.492 2.660 50 10 GFCARO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000237899559 136192485 /nfs/dbraw/zinc/19/24/85/136192485.db2.gz FGDNKNOCGFMXBW-DZGCQCFKSA-N 1 0 385.430 2.676 50 10 GFCARO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022589192 221564566 /nfs/dbraw/zinc/56/45/66/221564566.db2.gz NBCVBZKIBFPOPJ-OAQYLSRUSA-N 1 0 384.499 2.610 50 10 GFCARO Cc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c1 ZINC000022733794 570541398 /nfs/dbraw/zinc/54/13/98/570541398.db2.gz KJIGSHXAYZYENH-QHCPKHFHSA-N 1 0 392.547 2.706 50 10 GFCARO O=C(C1CC[NH+](Cc2ccccc2O)CC1)N1CCN(c2ccccc2)CC1 ZINC000004662924 220741967 /nfs/dbraw/zinc/74/19/67/220741967.db2.gz BVGWHQCVZSESBH-UHFFFAOYSA-N 1 0 379.504 2.953 50 10 GFCARO CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000005098861 570416002 /nfs/dbraw/zinc/41/60/02/570416002.db2.gz KISCLWNUXKBHCJ-FQEVSTJZSA-N 1 0 391.537 2.733 50 10 GFCARO CN(C)c1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)[NH+](C)C)cc1 ZINC000005097749 570417026 /nfs/dbraw/zinc/41/70/26/570417026.db2.gz OMIIJLPRGQLHTH-LJQANCHMSA-N 1 0 379.460 2.892 50 10 GFCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)c1 ZINC000004330412 570573320 /nfs/dbraw/zinc/57/33/20/570573320.db2.gz RDSMSLIVWABWJF-HXUWFJFHSA-N 1 0 382.508 2.727 50 10 GFCARO CCOc1cccc(C[N@@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)c1O ZINC000039500186 570592563 /nfs/dbraw/zinc/59/25/63/570592563.db2.gz XUDDVNUVYXAABR-HXUWFJFHSA-N 1 0 385.508 2.563 50 10 GFCARO