smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccncc4)n3)ccn2)CC1 ZINC000035424715 526857592 /nfs/dbraw/zinc/85/75/92/526857592.db2.gz CUDBTTLPLLSTFM-IBGZPJMESA-N 1 2 433.516 2.565 40 0 biogenic,in-vitro IFABLO NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccncc4)n3)ccn2)CC1 ZINC000035424715 526857597 /nfs/dbraw/zinc/85/75/97/526857597.db2.gz CUDBTTLPLLSTFM-IBGZPJMESA-N 1 2 433.516 2.565 40 0 biogenic,in-vitro IFABLO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000035889441 527087510 /nfs/dbraw/zinc/08/75/10/527087510.db2.gz JKBMCKGAWQMYHU-TXXWUTRGSA-N 1 2 425.847 2.910 40 0 IFABLO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000035889441 527087515 /nfs/dbraw/zinc/08/75/15/527087515.db2.gz JKBMCKGAWQMYHU-TXXWUTRGSA-N 1 2 425.847 2.910 40 0 IFABLO COc1cccc(OC)c1C(=O)N1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000001372345 537129917 /nfs/dbraw/zinc/12/99/17/537129917.db2.gz WGVAGHUBMZUDOC-UHFFFAOYSA-N 1 2 444.495 2.795 40 0 IFABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2C)c1 ZINC000408618471 555982182 /nfs/dbraw/zinc/98/21/82/555982182.db2.gz JNZFFWJCUBNDIC-UHFFFAOYSA-N 1 2 431.558 2.556 40 0 IFABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)Cc2ccccc2F)cc1 ZINC000408625929 555996478 /nfs/dbraw/zinc/99/64/78/555996478.db2.gz XLSFGQNVWXSBJT-UHFFFAOYSA-N 1 2 444.532 2.728 40 0 IFABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1S(=O)(=O)NC(C)C ZINC000408701034 556103833 /nfs/dbraw/zinc/10/38/33/556103833.db2.gz QJDNRPWVYUYAHU-UHFFFAOYSA-N 1 2 445.585 2.730 40 0 IFABLO COc1cc([C@H]2NC(=O)CC[NH2+]2)cc(I)c1OCc1ccccc1 ZINC000408738823 556202421 /nfs/dbraw/zinc/20/24/21/556202421.db2.gz VYEZJAZOUKFYBE-GOSISDBHSA-N 1 2 438.265 2.987 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Br)c2)CC1 ZINC000028467084 556455373 /nfs/dbraw/zinc/45/53/73/556455373.db2.gz CNCCCISQDIGNMQ-UHFFFAOYSA-N 1 2 438.347 2.638 40 0 IFABLO CCOc1ccc(N([C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)cc1 ZINC000030853913 556509651 /nfs/dbraw/zinc/50/96/51/556509651.db2.gz BGHPFHBSPVKUOR-KRWDZBQOSA-N 1 2 442.541 2.742 40 0 IFABLO Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)N2 ZINC000019128674 556703835 /nfs/dbraw/zinc/70/38/35/556703835.db2.gz NAKWIZULVAHWKL-CIRFHOKZSA-N 1 2 443.514 2.827 40 0 IFABLO Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)N2 ZINC000019128674 556703839 /nfs/dbraw/zinc/70/38/39/556703839.db2.gz NAKWIZULVAHWKL-CIRFHOKZSA-N 1 2 443.514 2.827 40 0 IFABLO Cn1c2ccc(C[N@H+](CCNC(=O)c3cccs3)Cc3ccccn3)cc2n(C)c1=O ZINC000019289791 556729598 /nfs/dbraw/zinc/72/95/98/556729598.db2.gz YWFAGQWHNPEQOK-UHFFFAOYSA-N 1 2 435.553 2.766 40 0 IFABLO Cn1c2ccc(C[N@@H+](CCNC(=O)c3cccs3)Cc3ccccn3)cc2n(C)c1=O ZINC000019289791 556729600 /nfs/dbraw/zinc/72/96/00/556729600.db2.gz YWFAGQWHNPEQOK-UHFFFAOYSA-N 1 2 435.553 2.766 40 0 IFABLO COc1cc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)ccc1OCC(N)=O ZINC000019453625 556764317 /nfs/dbraw/zinc/76/43/17/556764317.db2.gz VQTZOTDDSOPRLE-UHFFFAOYSA-N 1 2 439.560 2.631 40 0 IFABLO COc1cc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)ccc1OCC(N)=O ZINC000019453625 556764320 /nfs/dbraw/zinc/76/43/20/556764320.db2.gz VQTZOTDDSOPRLE-UHFFFAOYSA-N 1 2 439.560 2.631 40 0 IFABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 ZINC000001224199 556769298 /nfs/dbraw/zinc/76/92/98/556769298.db2.gz NQVMCRCUZPSOOL-UHFFFAOYSA-N 1 2 440.569 2.638 40 0 IFABLO CCC(CC)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5CCCO5)CC4)[nH]n3c(=O)c2C1 ZINC000019500290 556772345 /nfs/dbraw/zinc/77/23/45/556772345.db2.gz NANLFMZODHDAPE-OAQYLSRUSA-N 1 2 441.576 2.867 40 0 IFABLO CCC(CC)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5CCCO5)CC4)[nH]n3c(=O)c2C1 ZINC000019500290 556772348 /nfs/dbraw/zinc/77/23/48/556772348.db2.gz NANLFMZODHDAPE-OAQYLSRUSA-N 1 2 441.576 2.867 40 0 IFABLO CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000019529262 556790759 /nfs/dbraw/zinc/79/07/59/556790759.db2.gz MZHSMOGPEQSOLN-HSZRJFAPSA-N 1 2 438.553 2.588 40 0 IFABLO COc1ccc(C[N@@H+](Cc2cnc(N3CCOCC3)nc2)C[C@H]2CCCO2)c(OC)c1 ZINC000019552170 556795965 /nfs/dbraw/zinc/79/59/65/556795965.db2.gz XZIGONKQGPTGAK-OAQYLSRUSA-N 1 2 428.533 2.512 40 0 IFABLO COc1ccc(C[N@H+](Cc2cnc(N3CCOCC3)nc2)C[C@H]2CCCO2)c(OC)c1 ZINC000019552170 556795968 /nfs/dbraw/zinc/79/59/68/556795968.db2.gz XZIGONKQGPTGAK-OAQYLSRUSA-N 1 2 428.533 2.512 40 0 IFABLO Cc1nc(-c2ccccn2)ncc1S(=O)(=O)N1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000019552832 556796832 /nfs/dbraw/zinc/79/68/32/556796832.db2.gz DXKOZARTJXTJCW-GOSISDBHSA-N 1 2 437.569 2.957 40 0 IFABLO COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCCC3)c(=O)[nH]c2c1 ZINC000006282909 556831415 /nfs/dbraw/zinc/83/14/15/556831415.db2.gz GJAZGBSYZQTJIS-GHTZIAJQSA-N 1 2 438.532 2.668 40 0 IFABLO C[NH+]1CCN(C(=O)c2ccc([C@H]3CCCN(C(=O)CCc4ccc(F)cc4)C3)nc2)CC1 ZINC000019705926 556863582 /nfs/dbraw/zinc/86/35/82/556863582.db2.gz XMLJHYPAESQIBP-NRFANRHFSA-N 1 2 438.547 2.947 40 0 IFABLO COc1ccc(CN(C)c2nc([C@H]3CCC[N@@H+]3C)nc3c2CN(C(C)=O)CC3)cc1OC ZINC000019710819 556874388 /nfs/dbraw/zinc/87/43/88/556874388.db2.gz VFBYIMDVTHCZSH-HXUWFJFHSA-N 1 2 439.560 2.802 40 0 IFABLO COc1ccc(CN(C)c2nc([C@H]3CCC[N@H+]3C)nc3c2CN(C(C)=O)CC3)cc1OC ZINC000019710819 556874393 /nfs/dbraw/zinc/87/43/93/556874393.db2.gz VFBYIMDVTHCZSH-HXUWFJFHSA-N 1 2 439.560 2.802 40 0 IFABLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccccc2OCCN2CCCC2=O)ncc1C(N)=O ZINC000019764500 556909051 /nfs/dbraw/zinc/90/90/51/556909051.db2.gz ZFCVRONHEMBZTH-HXUWFJFHSA-N 1 2 437.544 2.612 40 0 IFABLO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccccc2OCCN2CCCC2=O)ncc1C(N)=O ZINC000019764500 556909054 /nfs/dbraw/zinc/90/90/54/556909054.db2.gz ZFCVRONHEMBZTH-HXUWFJFHSA-N 1 2 437.544 2.612 40 0 IFABLO COc1ccc(CN2CCC(c3nnsc3S(C)(=O)=O)CC2)cc1Cn1cc[nH+]c1 ZINC000072392485 556963495 /nfs/dbraw/zinc/96/34/95/556963495.db2.gz JSKHPDHRMPRODM-UHFFFAOYSA-N 1 2 447.586 2.575 40 0 IFABLO O=C(Nc1ccccc1C(=O)NCC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000302765883 557142966 /nfs/dbraw/zinc/14/29/66/557142966.db2.gz GRUSYRSTHUQFSO-UHFFFAOYSA-N 1 2 432.318 2.763 40 0 IFABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006148930 557145927 /nfs/dbraw/zinc/14/59/27/557145927.db2.gz OZECXOVGFVIECL-NQIIRXRSSA-N 1 2 438.532 2.524 40 0 IFABLO Cc1ccc(NC(=O)c2ccc3nnc([C@H]4C[N@@H+](Cc5ccccn5)CCN4C)n3c2)cn1 ZINC000096156671 557181370 /nfs/dbraw/zinc/18/13/70/557181370.db2.gz LRTWNPDCPLIRGX-OAQYLSRUSA-N 1 2 442.527 2.569 40 0 IFABLO Cc1ccc(NC(=O)c2ccc3nnc([C@H]4C[N@H+](Cc5ccccn5)CCN4C)n3c2)cn1 ZINC000096156671 557181376 /nfs/dbraw/zinc/18/13/76/557181376.db2.gz LRTWNPDCPLIRGX-OAQYLSRUSA-N 1 2 442.527 2.569 40 0 IFABLO CCOC(=O)CN1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CC[N@H+]2Cc1ccccc1 ZINC000096230404 557185032 /nfs/dbraw/zinc/18/50/32/557185032.db2.gz ZXDSXEPUBDHLMK-UHFFFAOYSA-N 1 2 436.556 2.637 40 0 IFABLO CCOC(=O)CN1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CC[N@@H+]2Cc1ccccc1 ZINC000096230404 557185033 /nfs/dbraw/zinc/18/50/33/557185033.db2.gz ZXDSXEPUBDHLMK-UHFFFAOYSA-N 1 2 436.556 2.637 40 0 IFABLO CCOC(=O)C[NH+]1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CCN2Cc1ccccc1 ZINC000096230404 557185035 /nfs/dbraw/zinc/18/50/35/557185035.db2.gz ZXDSXEPUBDHLMK-UHFFFAOYSA-N 1 2 436.556 2.637 40 0 IFABLO Cc1cccc(C[N@@H+]2C[C@@H]3c4nc(N5CCC[C@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC000096251984 557189042 /nfs/dbraw/zinc/18/90/42/557189042.db2.gz JOJUSWBOVWXJML-DZFGPLHGSA-N 1 2 426.586 2.918 40 0 IFABLO Cc1cccc(C[N@H+]2C[C@@H]3c4nc(N5CCC[C@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC000096251984 557189045 /nfs/dbraw/zinc/18/90/45/557189045.db2.gz JOJUSWBOVWXJML-DZFGPLHGSA-N 1 2 426.586 2.918 40 0 IFABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)c1cccc(C(F)(F)F)c1)CC2 ZINC000096254916 557189199 /nfs/dbraw/zinc/18/91/99/557189199.db2.gz QMXXHTQWCQVOJF-UHFFFAOYSA-N 1 2 449.477 2.639 40 0 IFABLO O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(C[NH+](Cc3ccccc3F)C2)C1 ZINC000604381897 557236431 /nfs/dbraw/zinc/23/64/31/557236431.db2.gz UDNQMPAVMUZDQP-HXUWFJFHSA-N 1 2 429.923 2.890 40 0 biogenic,in-vitro IFABLO CC(C)C(=O)N1CCc2c(nc3cc(C4CC[NH+](CC5=CCCOC5)CC4)[nH]n3c2=O)C1 ZINC000100232753 557249940 /nfs/dbraw/zinc/24/99/40/557249940.db2.gz MQOJFLHWBKJOHW-UHFFFAOYSA-N 1 2 439.560 2.502 40 0 IFABLO Cc1cnccc1C[NH+]1CCC(c2cc3nc4c(c(=O)n3[nH]2)CN(C(=O)C2CC2)CC4)CC1 ZINC000100232619 557250006 /nfs/dbraw/zinc/25/00/06/557250006.db2.gz GIBBCCAMISUSNK-UHFFFAOYSA-N 1 2 446.555 2.813 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](C)c3nnnn3C(C)(C)C)cc2c1 ZINC000057674912 557253745 /nfs/dbraw/zinc/25/37/45/557253745.db2.gz JIHWWPWPHXFFAG-HNNXBMFYSA-N 1 2 428.537 2.614 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](C)c3nnnn3C(C)(C)C)cc2c1 ZINC000057674912 557253747 /nfs/dbraw/zinc/25/37/47/557253747.db2.gz JIHWWPWPHXFFAG-HNNXBMFYSA-N 1 2 428.537 2.614 40 0 IFABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[NH+]3CCC(O)CC3)cc2c1 ZINC000057594866 557254039 /nfs/dbraw/zinc/25/40/39/557254039.db2.gz OAOSNDOPNKQHME-FQEVSTJZSA-N 1 2 440.548 2.605 40 0 IFABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCCO)Cc3nnnn3Cc3ccccc3)cc2c1 ZINC000057642663 557255878 /nfs/dbraw/zinc/25/58/78/557255878.db2.gz VMAVRRCOVVJGHE-UHFFFAOYSA-N 1 2 432.528 2.564 40 0 IFABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)Cc3nnnn3Cc3ccccc3)cc2c1 ZINC000057642663 557255880 /nfs/dbraw/zinc/25/58/80/557255880.db2.gz VMAVRRCOVVJGHE-UHFFFAOYSA-N 1 2 432.528 2.564 40 0 IFABLO CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(=O)OCC)CC3)C2=O)cc1 ZINC000102242173 557300561 /nfs/dbraw/zinc/30/05/61/557300561.db2.gz RBIKYVHKKVUQHQ-IBGZPJMESA-N 1 2 430.501 2.551 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCO)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500287 557323946 /nfs/dbraw/zinc/32/39/46/557323946.db2.gz KPGTYTQNWTZIKP-FQEVSTJZSA-N 1 2 442.564 2.860 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCO)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500287 557323949 /nfs/dbraw/zinc/32/39/49/557323949.db2.gz KPGTYTQNWTZIKP-FQEVSTJZSA-N 1 2 442.564 2.860 40 0 IFABLO CCC[C@@H](c1nnnn1CCOC)[N@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499510 557328551 /nfs/dbraw/zinc/32/85/51/557328551.db2.gz BCPDIBANXRLROL-NRFANRHFSA-N 1 2 442.564 2.504 40 0 IFABLO CCC[C@@H](c1nnnn1CCOC)[N@@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499510 557328553 /nfs/dbraw/zinc/32/85/53/557328553.db2.gz BCPDIBANXRLROL-NRFANRHFSA-N 1 2 442.564 2.504 40 0 IFABLO CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1cc(C(F)(F)F)ccc1Cl ZINC000013566831 557345410 /nfs/dbraw/zinc/34/54/10/557345410.db2.gz MYSIVFHNGJNBOE-UHFFFAOYSA-N 1 2 438.859 2.528 40 0 IFABLO CCc1nn2c(nnc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccc(Br)cc1 ZINC000013639283 557384602 /nfs/dbraw/zinc/38/46/02/557384602.db2.gz FLRQRIZYICZBAT-UHFFFAOYSA-N 1 2 443.349 2.812 40 0 IFABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1CC[NH+]1CCOCC1 ZINC000223133446 557436744 /nfs/dbraw/zinc/43/67/44/557436744.db2.gz PEXWSBABAYVLJL-XZOQPEGZSA-N 1 2 448.596 2.631 40 0 IFABLO Oc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000223153295 557439575 /nfs/dbraw/zinc/43/95/75/557439575.db2.gz OBINZYBLDJTVCZ-XZOQPEGZSA-N 1 2 449.580 2.883 40 0 IFABLO Oc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000223153355 557439785 /nfs/dbraw/zinc/43/97/85/557439785.db2.gz OBINZYBLDJTVCZ-GOTSBHOMSA-N 1 2 449.580 2.883 40 0 IFABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1CCC[NH+]1CCOCC1 ZINC000223169426 557441057 /nfs/dbraw/zinc/44/10/57/557441057.db2.gz UECULOYVJGGBOU-DHIUTWEWSA-N 1 2 448.596 2.962 40 0 IFABLO CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000223599549 557490323 /nfs/dbraw/zinc/49/03/23/557490323.db2.gz YLAXEKVKTWXLHQ-UHFFFAOYSA-N 1 2 430.555 2.531 40 0 IFABLO CCOC(=O)[C@]1(C)[NH2+][C@H](c2sccc2C)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 ZINC000020150888 557516198 /nfs/dbraw/zinc/51/61/98/557516198.db2.gz GOVUQBBUCNXHLN-DVSDUFGPSA-N 1 2 428.510 2.837 40 0 IFABLO FC(F)(F)c1cc(Oc2ccccc2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225905745 557790186 /nfs/dbraw/zinc/79/01/86/557790186.db2.gz RYRALOPKQJXUCX-UHFFFAOYSA-N 1 2 427.452 2.906 40 0 IFABLO C[C@H]1C[C@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NCC[NH+]3CCOCC3)n2)C1 ZINC000225905636 557790262 /nfs/dbraw/zinc/79/02/62/557790262.db2.gz HJLCFCUXKDIKCU-KBPBESRZSA-N 1 2 446.543 2.596 40 0 IFABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1CCOC)c1cc2cc(OC)ccc2[nH]c1=O ZINC000020083770 568624625 /nfs/dbraw/zinc/62/46/25/568624625.db2.gz FGNFPNMACDNWRA-QFIPXVFZSA-N 1 2 448.527 2.781 40 0 IFABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1CCOC)c1cc2cc(OC)ccc2[nH]c1=O ZINC000020083770 568624628 /nfs/dbraw/zinc/62/46/28/568624628.db2.gz FGNFPNMACDNWRA-QFIPXVFZSA-N 1 2 448.527 2.781 40 0 IFABLO O=C(c1ccc(OCC[NH+]2CCOCC2)cc1)N1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000257200920 568665493 /nfs/dbraw/zinc/66/54/93/568665493.db2.gz AFJAQOVOUALACV-HSZRJFAPSA-N 1 2 447.539 2.956 40 0 IFABLO COc1ccc(NC(=O)C[NH+]2CCC3(CN(S(C)(=O)=O)C(C)(C)C3)CC2)cc1Cl ZINC000257207914 568668465 /nfs/dbraw/zinc/66/84/65/568668465.db2.gz BJXMSEZNKMBHCM-UHFFFAOYSA-N 1 2 443.997 2.813 40 0 IFABLO CCc1[nH+]c2ccccc2n1CCC(=O)N(C)C[C@]1(O)CCCN(c2cc(C)ncn2)C1 ZINC000257246598 568686669 /nfs/dbraw/zinc/68/66/69/568686669.db2.gz IUVKFBMCVGOJFC-XMMPIXPASA-N 1 2 436.560 2.577 40 0 IFABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C1)CO2 ZINC000257264258 568695374 /nfs/dbraw/zinc/69/53/74/568695374.db2.gz LTPZJOKDCITNOI-QHCPKHFHSA-N 1 2 431.496 2.979 40 0 IFABLO COc1ccc2c(c1)C=C(C[N@H+]1CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C1)CO2 ZINC000257264258 568695375 /nfs/dbraw/zinc/69/53/75/568695375.db2.gz LTPZJOKDCITNOI-QHCPKHFHSA-N 1 2 431.496 2.979 40 0 IFABLO Cc1cc2[nH]c(CCC(=O)N3C[C@@H](O)[C@H](n4ccc5cc(C(N)=O)ccc54)C3)[nH+]c2cc1C ZINC000257271364 568698261 /nfs/dbraw/zinc/69/82/61/568698261.db2.gz MXZQLCZGPKMBSO-FGZHOGPDSA-N 1 2 445.523 2.610 40 0 IFABLO Cc1nc2cc(NC(=O)C[N@@H+]3CC[C@H](Oc4cccc(F)c4)[C@@](C)(O)C3)ccc2n1C ZINC000257272106 568698455 /nfs/dbraw/zinc/69/84/55/568698455.db2.gz NBBXTLHCNKBPFS-GMAHTHKFSA-N 1 2 426.492 2.864 40 0 IFABLO Cc1nc2cc(NC(=O)C[N@H+]3CC[C@H](Oc4cccc(F)c4)[C@@](C)(O)C3)ccc2n1C ZINC000257272106 568698458 /nfs/dbraw/zinc/69/84/58/568698458.db2.gz NBBXTLHCNKBPFS-GMAHTHKFSA-N 1 2 426.492 2.864 40 0 IFABLO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000257308912 568715018 /nfs/dbraw/zinc/71/50/18/568715018.db2.gz TYSDBCQQQVZTEX-NRFANRHFSA-N 1 2 427.505 2.549 40 0 IFABLO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000257308912 568715021 /nfs/dbraw/zinc/71/50/21/568715021.db2.gz TYSDBCQQQVZTEX-NRFANRHFSA-N 1 2 427.505 2.549 40 0 IFABLO O=C1O[C@]2(CN1c1cccc(F)c1)COCC[N@H+](Cc1ccnc(N3CCCCC3)n1)C2 ZINC000257335780 568726844 /nfs/dbraw/zinc/72/68/44/568726844.db2.gz YLVQVRMCSNHUFR-HSZRJFAPSA-N 1 2 441.507 2.834 40 0 IFABLO O=C1O[C@]2(CN1c1cccc(F)c1)COCC[N@@H+](Cc1ccnc(N3CCCCC3)n1)C2 ZINC000257335780 568726847 /nfs/dbraw/zinc/72/68/47/568726847.db2.gz YLVQVRMCSNHUFR-HSZRJFAPSA-N 1 2 441.507 2.834 40 0 IFABLO O=C(C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1Oc1ccc(F)cc1)N1CCCCC1 ZINC000257341142 568729145 /nfs/dbraw/zinc/72/91/45/568729145.db2.gz ZIZWVQCPRLNJLO-RXVVDRJESA-N 1 2 428.508 2.721 40 0 IFABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3cccnc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306123055 568762333 /nfs/dbraw/zinc/76/23/33/568762333.db2.gz ADMQFTCXBKCIGN-OFVILXPXSA-N 1 2 444.539 2.913 40 0 IFABLO Cc1ncsc1C[N@H+]1C[C@@H]2[C@H](C1)Oc1ncccc1S(=O)(=O)N2Cc1ccccc1 ZINC000306132166 568767141 /nfs/dbraw/zinc/76/71/41/568767141.db2.gz LAPXEBKOFGIQSF-MSOLQXFVSA-N 1 2 442.566 2.683 40 0 IFABLO Cc1ncsc1C[N@@H+]1C[C@@H]2[C@H](C1)Oc1ncccc1S(=O)(=O)N2Cc1ccccc1 ZINC000306132166 568767142 /nfs/dbraw/zinc/76/71/42/568767142.db2.gz LAPXEBKOFGIQSF-MSOLQXFVSA-N 1 2 442.566 2.683 40 0 IFABLO Cc1ccsc1C[N@H+]1C[C@@H]2[C@H](C1)Oc1ncccc1S(=O)(=O)N2Cc1ccccn1 ZINC000306134982 568768681 /nfs/dbraw/zinc/76/86/81/568768681.db2.gz ODVUTSNMTANRNH-MSOLQXFVSA-N 1 2 442.566 2.683 40 0 IFABLO Cc1ccsc1C[N@@H+]1C[C@@H]2[C@H](C1)Oc1ncccc1S(=O)(=O)N2Cc1ccccn1 ZINC000306134982 568768682 /nfs/dbraw/zinc/76/86/82/568768682.db2.gz ODVUTSNMTANRNH-MSOLQXFVSA-N 1 2 442.566 2.683 40 0 IFABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccccn3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306138426 568770407 /nfs/dbraw/zinc/77/04/07/568770407.db2.gz RXGWGZYRQUZFFH-NBGIEHNGSA-N 1 2 444.539 2.913 40 0 IFABLO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000103518471 568897342 /nfs/dbraw/zinc/89/73/42/568897342.db2.gz JKBMCKGAWQMYHU-DBHNTLKXSA-N 1 2 425.847 2.910 40 0 IFABLO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000103518471 568897345 /nfs/dbraw/zinc/89/73/45/568897345.db2.gz JKBMCKGAWQMYHU-DBHNTLKXSA-N 1 2 425.847 2.910 40 0 IFABLO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](C(=O)OCC)C3)C2=O)cc1 ZINC000226318340 569182945 /nfs/dbraw/zinc/18/29/45/569182945.db2.gz FCYOHSVNGFHIEL-IEBWSBKVSA-N 1 2 430.501 2.551 40 0 IFABLO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@H](C(=O)OCC)C3)C2=O)cc1 ZINC000226318340 569182946 /nfs/dbraw/zinc/18/29/46/569182946.db2.gz FCYOHSVNGFHIEL-IEBWSBKVSA-N 1 2 430.501 2.551 40 0 IFABLO Cc1ccc2oc(=O)n(CC(=O)N3CCO[C@H](c4ccc(-c5ccc(N)[nH+]c5)cn4)C3)c2c1 ZINC000019692422 569228071 /nfs/dbraw/zinc/22/80/71/569228071.db2.gz QEYUDTLCQYBFMY-NRFANRHFSA-N 1 2 445.479 2.542 40 0 IFABLO NC(=O)c1cccc(-c2ccc([C@@H]3CN(C(=O)C[NH+]4Cc5ccccc5C4)CCO3)nc2)c1 ZINC000019692460 569228074 /nfs/dbraw/zinc/22/80/74/569228074.db2.gz ILAGTHOXNNFOKI-DEOSSOPVSA-N 1 2 442.519 2.763 40 0 IFABLO Nc1nc2c(cc1C(=O)Nc1ccc(F)cc1)CN(C(=O)C[NH+]1Cc3ccccc3C1)CC2 ZINC000019701092 569231394 /nfs/dbraw/zinc/23/13/94/569231394.db2.gz QGXZZXNASATZQL-UHFFFAOYSA-N 1 2 445.498 2.956 40 0 IFABLO COc1ccc(C[N@@H+]2CCO[C@@H](c3c4cccnc4sc3C(=O)N(C)CCO)C2)cc1 ZINC000019702659 569232183 /nfs/dbraw/zinc/23/21/83/569232183.db2.gz KIILUBQLKXOLGS-LJQANCHMSA-N 1 2 441.553 2.943 40 0 IFABLO COc1ccc(C[N@H+]2CCO[C@@H](c3c4cccnc4sc3C(=O)N(C)CCO)C2)cc1 ZINC000019702659 569232184 /nfs/dbraw/zinc/23/21/84/569232184.db2.gz KIILUBQLKXOLGS-LJQANCHMSA-N 1 2 441.553 2.943 40 0 IFABLO CNC(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CC[N@H+](CC(=O)Nc2cc(C)on2)C1 ZINC000019739065 569236471 /nfs/dbraw/zinc/23/64/71/569236471.db2.gz GBFSKQXDJKAJBP-QFIPXVFZSA-N 1 2 429.521 2.638 40 0 IFABLO CNC(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CC[N@@H+](CC(=O)Nc2cc(C)on2)C1 ZINC000019739065 569236473 /nfs/dbraw/zinc/23/64/73/569236473.db2.gz GBFSKQXDJKAJBP-QFIPXVFZSA-N 1 2 429.521 2.638 40 0 IFABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019762086 569328950 /nfs/dbraw/zinc/32/89/50/569328950.db2.gz XHLCVYSHAAITPJ-XMMPIXPASA-N 1 2 435.524 2.847 40 0 IFABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019762086 569328951 /nfs/dbraw/zinc/32/89/51/569328951.db2.gz XHLCVYSHAAITPJ-XMMPIXPASA-N 1 2 435.524 2.847 40 0 IFABLO C[N@@H+]1C[C@@H](NC(=O)c2cnccn2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000030879503 291343637 /nfs/dbraw/zinc/34/36/37/291343637.db2.gz KTVVDGBWMISVJH-WFASDCNBSA-N 1 2 434.378 2.600 40 0 biogenic,in-vitro IFABLO C[N@H+]1C[C@@H](NC(=O)c2cnccn2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000030879503 291343640 /nfs/dbraw/zinc/34/36/40/291343640.db2.gz KTVVDGBWMISVJH-WFASDCNBSA-N 1 2 434.378 2.600 40 0 biogenic,in-vitro IFABLO Cc1ccc(C)c(N([C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)c1 ZINC000020451161 524118070 /nfs/dbraw/zinc/11/80/70/524118070.db2.gz VOQNJWYTOKAGBP-GOSISDBHSA-N 1 2 426.542 2.960 40 0 IFABLO O=C1CN(c2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)CC(=O)N1CCc1ccccc1 ZINC000021118026 527008351 /nfs/dbraw/zinc/00/83/51/527008351.db2.gz OLJSROUVAGQYMU-UHFFFAOYSA-N 1 2 446.898 2.887 40 0 IFABLO O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCCCn1cc[nH+]c1 ZINC000408627518 555998345 /nfs/dbraw/zinc/99/83/45/555998345.db2.gz NKXTWTSSOWGUAT-UHFFFAOYSA-N 1 2 432.933 2.938 40 0 IFABLO COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000006148988 556078139 /nfs/dbraw/zinc/07/81/39/556078139.db2.gz BJZOKVJGTYDAHH-WIYYLYMNSA-N 1 2 438.532 2.524 40 0 IFABLO COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000408700420 556102530 /nfs/dbraw/zinc/10/25/30/556102530.db2.gz FTFOJDDPVBKIRO-IBGZPJMESA-N 1 2 448.589 2.622 40 0 IFABLO COc1cc(C(=O)O[C@H](COCCC(C)C)C[NH+]2CCOCC2)cc(OC)c1OC ZINC000031771397 556526192 /nfs/dbraw/zinc/52/61/92/556526192.db2.gz YOKPRDAUBGOISU-SFHVURJKSA-N 1 2 425.522 2.633 40 0 in-man IFABLO Cc1cc(Cl)ccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)S(C)(=O)=O ZINC000038753135 556616257 /nfs/dbraw/zinc/61/62/57/556616257.db2.gz GQRKBMXHAPCTNQ-UHFFFAOYSA-N 1 2 432.933 2.917 40 0 IFABLO CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000038755543 556617599 /nfs/dbraw/zinc/61/75/99/556617599.db2.gz TZDVBMZXBQGWQY-HXUWFJFHSA-N 1 2 430.505 2.872 40 0 IFABLO CCOc1ccc(N([C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)cc1 ZINC000038756660 556618281 /nfs/dbraw/zinc/61/82/81/556618281.db2.gz ZSGOIDVXOLVIFO-QGZVFWFLSA-N 1 2 442.541 2.742 40 0 IFABLO Cc1ccc(NC(=O)C[C@H]2C(=O)N(CCC[NH+]3CCOCC3)c3nc4ccccc4n32)cc1 ZINC000039964049 556631348 /nfs/dbraw/zinc/63/13/48/556631348.db2.gz TXILNSCMLIJAFW-QFIPXVFZSA-N 1 2 447.539 2.984 40 0 IFABLO Cc1ccc(NC(=O)C[C@@H]2C(=O)N(CCC[NH+]3CCOCC3)c3nc4ccccc4n32)cc1 ZINC000039964048 556631383 /nfs/dbraw/zinc/63/13/83/556631383.db2.gz TXILNSCMLIJAFW-JOCHJYFZSA-N 1 2 447.539 2.984 40 0 IFABLO COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044939494 556683378 /nfs/dbraw/zinc/68/33/78/556683378.db2.gz LMNOTLYYZJHCQP-UHFFFAOYSA-N 1 2 428.514 2.879 40 0 IFABLO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C[NH+]3C[C@H](C)O[C@@H](C)C3)CC1)N2 ZINC000019128689 556703717 /nfs/dbraw/zinc/70/37/17/556703717.db2.gz LKHLAJQRVURXDO-UOVPBQLFSA-N 1 2 425.524 2.530 40 0 IFABLO Cn1cc(C[N@@H+]2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)CC2CCCCC2)CC3)cn1 ZINC000019290694 556730817 /nfs/dbraw/zinc/73/08/17/556730817.db2.gz DBBSGEXATRLORG-NRFANRHFSA-N 1 2 438.576 2.696 40 0 IFABLO Cn1cc(C[N@H+]2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)CC2CCCCC2)CC3)cn1 ZINC000019290694 556730820 /nfs/dbraw/zinc/73/08/20/556730820.db2.gz DBBSGEXATRLORG-NRFANRHFSA-N 1 2 438.576 2.696 40 0 IFABLO COc1cc(C[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)ccc1O ZINC000019291265 556731388 /nfs/dbraw/zinc/73/13/88/556731388.db2.gz OGOYOMZMTHAZCW-JOCHJYFZSA-N 1 2 426.492 2.677 40 0 IFABLO CCOC(=O)Cn1nnnc1C[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000000926872 556753513 /nfs/dbraw/zinc/75/35/13/556753513.db2.gz WBPLNUMIKUEXEY-UHFFFAOYSA-N 1 2 438.532 2.639 40 0 IFABLO CCOC(=O)Cn1nnnc1C[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000000926872 556753517 /nfs/dbraw/zinc/75/35/17/556753517.db2.gz WBPLNUMIKUEXEY-UHFFFAOYSA-N 1 2 438.532 2.639 40 0 IFABLO CC(C)S(=O)(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)C1 ZINC000019451028 556761820 /nfs/dbraw/zinc/76/18/20/556761820.db2.gz UIBCEHGWEQPBNL-MRXNPFEDSA-N 1 2 447.605 2.653 40 0 IFABLO CC(C)S(=O)(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)C1 ZINC000019451028 556761823 /nfs/dbraw/zinc/76/18/23/556761823.db2.gz UIBCEHGWEQPBNL-MRXNPFEDSA-N 1 2 447.605 2.653 40 0 IFABLO CCc1cc(C(=O)N2CCC(c3cc4nc5c(c(=O)n4[nH]3)C[N@@H+](C(C)C)CC5)CC2)no1 ZINC000019522601 556779941 /nfs/dbraw/zinc/77/99/41/556779941.db2.gz LFYVXQPCDNLRJZ-UHFFFAOYSA-N 1 2 438.532 2.772 40 0 IFABLO CCc1cc(C(=O)N2CCC(c3cc4nc5c(c(=O)n4[nH]3)C[N@H+](C(C)C)CC5)CC2)no1 ZINC000019522601 556779944 /nfs/dbraw/zinc/77/99/44/556779944.db2.gz LFYVXQPCDNLRJZ-UHFFFAOYSA-N 1 2 438.532 2.772 40 0 IFABLO CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(OCC[NH+]4CCOCC4)cc3)n[nH]2)c1C ZINC000019523867 556781138 /nfs/dbraw/zinc/78/11/38/556781138.db2.gz ZSBXKHIQDHMJLG-UHFFFAOYSA-N 1 2 438.532 2.873 40 0 IFABLO CCn1cc([C@@H](O)C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c2ccccc21 ZINC000019524771 556782198 /nfs/dbraw/zinc/78/21/98/556782198.db2.gz FKIKVFVDDMLMAJ-QFIPXVFZSA-N 1 2 449.523 2.979 40 0 IFABLO CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000019529263 556790745 /nfs/dbraw/zinc/79/07/45/556790745.db2.gz MZHSMOGPEQSOLN-QHCPKHFHSA-N 1 2 438.553 2.588 40 0 IFABLO Cc1ccc(CSCCNC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000060905912 556809263 /nfs/dbraw/zinc/80/92/63/556809263.db2.gz OMCWJUDSQKKWSA-UHFFFAOYSA-N 1 2 447.626 2.594 40 0 IFABLO Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@@H+](Cc1ccccn1)C2 ZINC000019695656 556852132 /nfs/dbraw/zinc/85/21/32/556852132.db2.gz HNNMTPZYEQKUEL-NRFANRHFSA-N 1 2 432.503 2.894 40 0 IFABLO Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@H+](Cc1ccccn1)C2 ZINC000019695656 556852133 /nfs/dbraw/zinc/85/21/33/556852133.db2.gz HNNMTPZYEQKUEL-NRFANRHFSA-N 1 2 432.503 2.894 40 0 IFABLO COCCNC(=O)c1sc2ccccc2c1[C@H]1C[N@H+](Cc2cn(C)nc2C)CCO1 ZINC000019697677 556855231 /nfs/dbraw/zinc/85/52/31/556855231.db2.gz RARQVNKIUOYHDX-GOSISDBHSA-N 1 2 428.558 2.893 40 0 IFABLO COCCNC(=O)c1sc2ccccc2c1[C@H]1C[N@@H+](Cc2cn(C)nc2C)CCO1 ZINC000019697677 556855233 /nfs/dbraw/zinc/85/52/33/556855233.db2.gz RARQVNKIUOYHDX-GOSISDBHSA-N 1 2 428.558 2.893 40 0 IFABLO CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(C)c2)nc2c1C[N@H+](C)CC2 ZINC000019710247 556872244 /nfs/dbraw/zinc/87/22/44/556872244.db2.gz VBZMGBWLACKYTB-LJQANCHMSA-N 1 2 445.589 2.739 40 0 IFABLO CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(C)c2)nc2c1C[N@@H+](C)CC2 ZINC000019710247 556872249 /nfs/dbraw/zinc/87/22/49/556872249.db2.gz VBZMGBWLACKYTB-LJQANCHMSA-N 1 2 445.589 2.739 40 0 IFABLO CNc1nc([C@H]2CCCN(C(=O)c3cccc(N4CCCC4=O)c3)C2)nc2c1C[N@H+](C)CC2 ZINC000019710521 556873679 /nfs/dbraw/zinc/87/36/79/556873679.db2.gz PWZOBHYIUDARQO-SFHVURJKSA-N 1 2 448.571 2.653 40 0 IFABLO CNc1nc([C@H]2CCCN(C(=O)c3cccc(N4CCCC4=O)c3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710521 556873681 /nfs/dbraw/zinc/87/36/81/556873681.db2.gz PWZOBHYIUDARQO-SFHVURJKSA-N 1 2 448.571 2.653 40 0 IFABLO Cc1[nH]c2ccc(NC(=O)Cn3cccc(C(=O)NCc4ccc(F)cc4)c3=O)cc2[nH+]1 ZINC000019749957 556894087 /nfs/dbraw/zinc/89/40/87/556894087.db2.gz XTDAJQTVJXKCIV-UHFFFAOYSA-N 1 2 433.443 2.741 40 0 IFABLO COc1ccc2nc(C[N@@H+]3CCc4c(nc(N5C[C@H](C)O[C@@H](C)C5)[nH]c4=O)C3)ccc2c1 ZINC000072335595 556908452 /nfs/dbraw/zinc/90/84/52/556908452.db2.gz MNYOAYLEVBYXGA-HOTGVXAUSA-N 1 2 435.528 2.911 40 0 IFABLO COc1ccc2nc(C[N@H+]3CCc4c(nc(N5C[C@H](C)O[C@@H](C)C5)[nH]c4=O)C3)ccc2c1 ZINC000072335595 556908456 /nfs/dbraw/zinc/90/84/56/556908456.db2.gz MNYOAYLEVBYXGA-HOTGVXAUSA-N 1 2 435.528 2.911 40 0 IFABLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(OCCN3CCCC3=O)cc2)ncc1C(N)=O ZINC000019764493 556909087 /nfs/dbraw/zinc/90/90/87/556909087.db2.gz NGYXOLDQWUZTHP-NRFANRHFSA-N 1 2 437.544 2.612 40 0 IFABLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(OCCN3CCCC3=O)cc2)ncc1C(N)=O ZINC000019764493 556909089 /nfs/dbraw/zinc/90/90/89/556909089.db2.gz NGYXOLDQWUZTHP-NRFANRHFSA-N 1 2 437.544 2.612 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)NC3(c4ccc(F)cc4)CCCC3)cc2)CC1 ZINC000072346513 556917973 /nfs/dbraw/zinc/91/79/73/556917973.db2.gz AUKVEYHEERGTAW-UHFFFAOYSA-N 1 2 445.560 2.961 40 0 IFABLO COCCCN1C[NH+]=C2N[C@H](c3ccc(OC)cc3OC)n3c4ccccc4nc3N2C1 ZINC000019960354 556955277 /nfs/dbraw/zinc/95/52/77/556955277.db2.gz SQWQLPLDEFLRNG-NRFANRHFSA-N 1 2 436.516 2.633 40 0 IFABLO COc1ccc([C@H]2NC3=[NH+]CN(C[C@@H]4CCCO4)CN3c3nc4ccccc4n32)c(OC)c1 ZINC000019960398 556955293 /nfs/dbraw/zinc/95/52/93/556955293.db2.gz MLCZYSQSTFIVEQ-JTSKRJEESA-N 1 2 448.527 2.776 40 0 IFABLO Cc1nc(C)c(C[N@@H+]2CCO[C@@]3(CO[C@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)s1 ZINC000585102200 557035118 /nfs/dbraw/zinc/03/51/18/557035118.db2.gz PAGSOSKJXZNMNJ-GHTZIAJQSA-N 1 2 437.512 2.714 40 0 IFABLO Cc1nc(C)c(C[N@H+]2CCO[C@@]3(CO[C@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)s1 ZINC000585102200 557035119 /nfs/dbraw/zinc/03/51/19/557035119.db2.gz PAGSOSKJXZNMNJ-GHTZIAJQSA-N 1 2 437.512 2.714 40 0 IFABLO Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCC[NH+]3CCOCC3)c2)cc1 ZINC000216486535 557147814 /nfs/dbraw/zinc/14/78/14/557147814.db2.gz XYXLBLIZTMYXGS-UHFFFAOYSA-N 1 2 437.949 2.511 40 0 IFABLO CC[C@H](CNC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C)Cc1ccccc1 ZINC000096251302 557188331 /nfs/dbraw/zinc/18/83/31/557188331.db2.gz OMMPLCGFEOIBSL-FQEVSTJZSA-N 1 2 443.613 2.930 40 0 IFABLO Cc1cc(NC(=O)c2ccc3c(c2)[C@H](c2ncn(C(C)C)n2)CN3S(C)(=O)=O)cc[nH+]1 ZINC000096267810 557193277 /nfs/dbraw/zinc/19/32/77/557193277.db2.gz KOTUKCOEIYAXBD-GOSISDBHSA-N 1 2 440.529 2.726 40 0 IFABLO COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)c3nnnn3c2c1 ZINC000013513739 557335008 /nfs/dbraw/zinc/33/50/08/557335008.db2.gz SHTFMVKRIXRIQD-FQEVSTJZSA-N 1 2 433.520 2.963 40 0 IFABLO Cc1ccc(C[N@@H+]2C[C@@H]3c4nc(N5CCC[C@@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)cc1 ZINC000107260522 557336247 /nfs/dbraw/zinc/33/62/47/557336247.db2.gz RMRVTUMGJRUGPY-JRGCBEDISA-N 1 2 426.586 2.918 40 0 IFABLO Cc1ccc(C[N@H+]2C[C@@H]3c4nc(N5CCC[C@@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)cc1 ZINC000107260522 557336250 /nfs/dbraw/zinc/33/62/50/557336250.db2.gz RMRVTUMGJRUGPY-JRGCBEDISA-N 1 2 426.586 2.918 40 0 IFABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NC(C)(C)Cc1ccccc1 ZINC000222966662 557408986 /nfs/dbraw/zinc/40/89/86/557408986.db2.gz JUZNKORDVICHLV-UHFFFAOYSA-N 1 2 429.586 2.682 40 0 IFABLO C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc2c(c1)CCCC2 ZINC000222982693 557411060 /nfs/dbraw/zinc/41/10/60/557411060.db2.gz WKCRGMPRLKBZNN-GOSISDBHSA-N 1 2 441.597 2.993 40 0 IFABLO CC(C)C(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223061666 557423766 /nfs/dbraw/zinc/42/37/66/557423766.db2.gz VFAFQQQWAQFEGG-XMMPIXPASA-N 1 2 437.584 2.731 40 0 IFABLO O=C(NCC[NH+]1CCOCC1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000223078393 557427186 /nfs/dbraw/zinc/42/71/86/557427186.db2.gz IRKAERXWSLMCFB-UHFFFAOYSA-N 1 2 427.932 2.995 40 0 IFABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1CC[NH+]1CCOCC1 ZINC000223133549 557436753 /nfs/dbraw/zinc/43/67/53/557436753.db2.gz PEXWSBABAYVLJL-GOTSBHOMSA-N 1 2 448.596 2.631 40 0 IFABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1CC[NH+]1CCOCC1 ZINC000223134876 557437221 /nfs/dbraw/zinc/43/72/21/557437221.db2.gz BNXQEPHNXVNXRU-VXKWHMMOSA-N 1 2 437.569 2.829 40 0 IFABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1CCC[NH+]1CCOCC1 ZINC000223169488 557441063 /nfs/dbraw/zinc/44/10/63/557441063.db2.gz UECULOYVJGGBOU-GOTSBHOMSA-N 1 2 448.596 2.962 40 0 IFABLO CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223407264 557467891 /nfs/dbraw/zinc/46/78/91/557467891.db2.gz VKLGXUFKYIZFGZ-JOCHJYFZSA-N 1 2 429.948 2.878 40 0 IFABLO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)NCC(C)C)cc12 ZINC000019824097 557508230 /nfs/dbraw/zinc/50/82/30/557508230.db2.gz AHLJVBSWYCMQTL-UHFFFAOYSA-N 1 2 430.618 2.810 40 0 IFABLO CCCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000019824320 557508547 /nfs/dbraw/zinc/50/85/47/557508547.db2.gz QYLVQQFMNMMWQR-UHFFFAOYSA-N 1 2 430.618 2.954 40 0 IFABLO CC[C@H](C)NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000020081318 557514688 /nfs/dbraw/zinc/51/46/88/557514688.db2.gz OZIOZRFCUIBKPI-KRWDZBQOSA-N 1 2 430.618 2.952 40 0 IFABLO CC(C)c1ccccc1OCCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000223799156 557514776 /nfs/dbraw/zinc/51/47/76/557514776.db2.gz NPEHDLDFOSAGST-UHFFFAOYSA-N 1 2 445.585 2.555 40 0 IFABLO CCN(Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224450941 557607604 /nfs/dbraw/zinc/60/76/04/557607604.db2.gz KPMHSLSXKQCIAL-UHFFFAOYSA-N 1 2 426.542 2.914 40 0 IFABLO COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000225040300 557681742 /nfs/dbraw/zinc/68/17/42/557681742.db2.gz HQXXALYWDGUFJU-UHFFFAOYSA-N 1 2 437.949 2.845 40 0 IFABLO O=c1sc2cc(S(=O)(=O)NCCCn3cc[nH+]c3)ccc2n1Cc1ccccc1 ZINC000225748140 557772474 /nfs/dbraw/zinc/77/24/74/557772474.db2.gz JRLRRIGGMMCUQA-UHFFFAOYSA-N 1 2 428.539 2.676 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)CC1 ZINC000225787109 557778042 /nfs/dbraw/zinc/77/80/42/557778042.db2.gz LWGNYMDJNASPNI-UHFFFAOYSA-N 1 2 437.974 2.701 40 0 IFABLO C[C@@H]1C[C@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NCC[NH+]3CCOCC3)n2)C1 ZINC000225905621 557790142 /nfs/dbraw/zinc/79/01/42/557790142.db2.gz HJLCFCUXKDIKCU-OKILXGFUSA-N 1 2 446.543 2.596 40 0 IFABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccccc3)c2CN1S(=O)(=O)c1ccc(C)cc1 ZINC000015676403 560094592 /nfs/dbraw/zinc/09/45/92/560094592.db2.gz NVXVDHLTPWPMEH-FQEVSTJZSA-N 1 2 425.510 2.528 40 0 biogenic,in-vitro IFABLO CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000257211948 568670862 /nfs/dbraw/zinc/67/08/62/568670862.db2.gz CBFCTVGMHUNDFP-LJQANCHMSA-N 1 2 434.566 2.500 40 0 IFABLO CCN(CC)S(=O)(=O)N1CCO[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000257211947 568670905 /nfs/dbraw/zinc/67/09/05/568670905.db2.gz CBFCTVGMHUNDFP-IBGZPJMESA-N 1 2 434.566 2.500 40 0 IFABLO Cc1cccc(CNc2cc(-c3c[nH]nc3[C@H]3CCN(S(=O)(=O)N(C)C)C3)cc[nH+]2)c1 ZINC000257228584 568678166 /nfs/dbraw/zinc/67/81/66/568678166.db2.gz FUKRTZRTOMJCFT-IBGZPJMESA-N 1 2 440.573 2.988 40 0 IFABLO Cc1ccc2oc(=O)n(CC(=O)N3CCO[C@@H](c4cccc(-c5ccc(N)[nH+]c5)n4)C3)c2c1 ZINC000257252233 568689682 /nfs/dbraw/zinc/68/96/82/568689682.db2.gz JUANMZGBJHMXJL-OAQYLSRUSA-N 1 2 445.479 2.542 40 0 IFABLO C[NH+](C)CC(=O)N1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000257270965 568698070 /nfs/dbraw/zinc/69/80/70/568698070.db2.gz MWITZNGBQDIVFQ-SFHVURJKSA-N 1 2 426.439 2.512 40 0 IFABLO C[N@H+](C1CCOCC1)[C@H]1CC[NH+](Cc2cc(C(C)(C)C)ccc2OCC(=O)[O-])CC[C@@H]1O ZINC000257273320 568699151 /nfs/dbraw/zinc/69/91/51/568699151.db2.gz NGCHRTUESOAKEK-VXKWHMMOSA-N 1 2 448.604 2.884 40 0 IFABLO C[N@@H+](C1CCOCC1)[C@H]1CC[NH+](Cc2cc(C(C)(C)C)ccc2OCC(=O)[O-])CC[C@@H]1O ZINC000257273320 568699153 /nfs/dbraw/zinc/69/91/53/568699153.db2.gz NGCHRTUESOAKEK-VXKWHMMOSA-N 1 2 448.604 2.884 40 0 IFABLO C[NH+](C1CCOCC1)[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)ccc2OCC(=O)[O-])CC[C@@H]1O ZINC000257273320 568699156 /nfs/dbraw/zinc/69/91/56/568699156.db2.gz NGCHRTUESOAKEK-VXKWHMMOSA-N 1 2 448.604 2.884 40 0 IFABLO C[NH+](C1CCOCC1)[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2OCC(=O)[O-])CC[C@@H]1O ZINC000257273320 568699157 /nfs/dbraw/zinc/69/91/57/568699157.db2.gz NGCHRTUESOAKEK-VXKWHMMOSA-N 1 2 448.604 2.884 40 0 IFABLO COc1ccccc1C[N@H+](C)CC(=O)N1CCO[C@@H](c2ccc(Nc3cnccn3)cn2)C1 ZINC000257287519 568705626 /nfs/dbraw/zinc/70/56/26/568705626.db2.gz PQHYBEDPLZQUEW-JOCHJYFZSA-N 1 2 448.527 2.656 40 0 IFABLO COc1ccccc1C[N@@H+](C)CC(=O)N1CCO[C@@H](c2ccc(Nc3cnccn3)cn2)C1 ZINC000257287519 568705627 /nfs/dbraw/zinc/70/56/27/568705627.db2.gz PQHYBEDPLZQUEW-JOCHJYFZSA-N 1 2 448.527 2.656 40 0 IFABLO COc1ccccc1C[N@H+](C)CC(=O)N1CCO[C@H](c2ccc(Nc3cnccn3)cn2)C1 ZINC000257287520 568705654 /nfs/dbraw/zinc/70/56/54/568705654.db2.gz PQHYBEDPLZQUEW-QFIPXVFZSA-N 1 2 448.527 2.656 40 0 IFABLO COc1ccccc1C[N@@H+](C)CC(=O)N1CCO[C@H](c2ccc(Nc3cnccn3)cn2)C1 ZINC000257287520 568705655 /nfs/dbraw/zinc/70/56/55/568705655.db2.gz PQHYBEDPLZQUEW-QFIPXVFZSA-N 1 2 448.527 2.656 40 0 IFABLO Cc1ccc(F)c(NC(=O)C[NH+]2CCC3(CC2)CCC(C)(C)N(S(C)(=O)=O)C3)c1 ZINC000257311478 568715923 /nfs/dbraw/zinc/71/59/23/568715923.db2.gz UJQHNJLWCJULHS-UHFFFAOYSA-N 1 2 425.570 2.989 40 0 IFABLO CNc1nc([C@H]2CCN(C(=O)COc3cc(C)nc4ccccc43)C2)nc2c1C[N@H+](C)CC2 ZINC000257316785 568718418 /nfs/dbraw/zinc/71/84/18/568718418.db2.gz VGZIQQHGBJDOIR-KRWDZBQOSA-N 1 2 446.555 2.758 40 0 IFABLO CNc1nc([C@H]2CCN(C(=O)COc3cc(C)nc4ccccc43)C2)nc2c1C[N@@H+](C)CC2 ZINC000257316785 568718421 /nfs/dbraw/zinc/71/84/21/568718421.db2.gz VGZIQQHGBJDOIR-KRWDZBQOSA-N 1 2 446.555 2.758 40 0 IFABLO c1csc(CN2CC[N@@H+](CC3CC3)[C@@H](c3cn4c(cccc4N4CCOCC4)n3)C2)n1 ZINC000306123487 568762705 /nfs/dbraw/zinc/76/27/05/568762705.db2.gz AORHTJPPBILYFM-HXUWFJFHSA-N 1 2 438.601 2.896 40 0 IFABLO c1csc(CN2CC[N@H+](CC3CC3)[C@@H](c3cn4c(cccc4N4CCOCC4)n3)C2)n1 ZINC000306123487 568762706 /nfs/dbraw/zinc/76/27/06/568762706.db2.gz AORHTJPPBILYFM-HXUWFJFHSA-N 1 2 438.601 2.896 40 0 IFABLO c1c([C@@H]2CN(Cc3ccccn3)CC[N@H+]2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306128088 568764960 /nfs/dbraw/zinc/76/49/60/568764960.db2.gz GPUGOCUXLDLCFV-QHCPKHFHSA-N 1 2 432.572 2.835 40 0 IFABLO c1c([C@@H]2CN(Cc3ccccn3)CC[N@@H+]2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306128088 568764961 /nfs/dbraw/zinc/76/49/61/568764961.db2.gz GPUGOCUXLDLCFV-QHCPKHFHSA-N 1 2 432.572 2.835 40 0 IFABLO Cc1ncsc1C[N@@H+]1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@@H]2C1 ZINC000306132167 568767052 /nfs/dbraw/zinc/76/70/52/568767052.db2.gz LAPXEBKOFGIQSF-QZTJIDSGSA-N 1 2 442.566 2.683 40 0 IFABLO Cc1ncsc1C[N@H+]1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@@H]2C1 ZINC000306132167 568767053 /nfs/dbraw/zinc/76/70/53/568767053.db2.gz LAPXEBKOFGIQSF-QZTJIDSGSA-N 1 2 442.566 2.683 40 0 IFABLO COc1ccc(-n2nccc2-c2nc(C(=O)NCCCn3cc[nH+]c3)c3cnccn32)cc1 ZINC000306137139 568769844 /nfs/dbraw/zinc/76/98/44/568769844.db2.gz QMIUADRBTZSGDA-UHFFFAOYSA-N 1 2 442.483 2.607 40 0 IFABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccccn3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306138424 568770540 /nfs/dbraw/zinc/77/05/40/568770540.db2.gz RXGWGZYRQUZFFH-CJFMBICVSA-N 1 2 444.539 2.913 40 0 IFABLO CCOCC(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC000306138615 568770792 /nfs/dbraw/zinc/77/07/92/568770792.db2.gz SCFYLOSIUIALPW-AVRDEDQJSA-N 1 2 445.589 2.610 40 0 IFABLO COc1cccc(-n2nccc2-c2nc(C(=O)NCCCn3cc[nH+]c3)c3cnccn32)c1 ZINC000306142492 568772625 /nfs/dbraw/zinc/77/26/25/568772625.db2.gz XAQQJDSGOMRWQJ-UHFFFAOYSA-N 1 2 442.483 2.607 40 0 IFABLO O=S1(=O)c2cccnc2O[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2N1Cc1ccccc1 ZINC000306142555 568772628 /nfs/dbraw/zinc/77/26/28/568772628.db2.gz XCXKLHHFPLUQKK-RTBURBONSA-N 1 2 427.551 2.979 40 0 IFABLO O=S1(=O)c2cccnc2O[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2N1Cc1ccccc1 ZINC000306142555 568772630 /nfs/dbraw/zinc/77/26/30/568772630.db2.gz XCXKLHHFPLUQKK-RTBURBONSA-N 1 2 427.551 2.979 40 0 IFABLO COCCC(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC000306144011 568773682 /nfs/dbraw/zinc/77/36/82/568773682.db2.gz YTJMKXYSJLHEHT-AVRDEDQJSA-N 1 2 445.589 2.610 40 0 IFABLO COc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NCCO)n1 ZINC000329033729 568809868 /nfs/dbraw/zinc/80/98/68/568809868.db2.gz QVIIZGCXOAHOAZ-UHFFFAOYSA-N 1 2 434.418 2.911 40 0 IFABLO COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000231508533 569186017 /nfs/dbraw/zinc/18/60/17/569186017.db2.gz SUAOACBKXJPNLK-FQELHTAISA-N 1 2 438.532 2.524 40 0 IFABLO COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000231508533 569186019 /nfs/dbraw/zinc/18/60/19/569186019.db2.gz SUAOACBKXJPNLK-FQELHTAISA-N 1 2 438.532 2.524 40 0 IFABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)C2)s1 ZINC000019693034 569228622 /nfs/dbraw/zinc/22/86/22/569228622.db2.gz HCOHWYBJQPUUIC-IBGZPJMESA-N 1 2 438.557 2.647 40 0 IFABLO Cc1ncc(C[N@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)C2)s1 ZINC000019693034 569228623 /nfs/dbraw/zinc/22/86/23/569228623.db2.gz HCOHWYBJQPUUIC-IBGZPJMESA-N 1 2 438.557 2.647 40 0 IFABLO Cn1cc2c(n1)[C@@H](C(=O)Nc1nccs1)C[N@@H+](Cc1ccc(N3CCCC3=O)cc1)C2 ZINC000019701405 569231339 /nfs/dbraw/zinc/23/13/39/569231339.db2.gz DNJZDVHNSPILRM-SFHVURJKSA-N 1 2 436.541 2.742 40 0 IFABLO Cn1cc2c(n1)[C@@H](C(=O)Nc1nccs1)C[N@H+](Cc1ccc(N3CCCC3=O)cc1)C2 ZINC000019701405 569231341 /nfs/dbraw/zinc/23/13/41/569231341.db2.gz DNJZDVHNSPILRM-SFHVURJKSA-N 1 2 436.541 2.742 40 0 IFABLO O=C1N(CCc2ccccc2)CC=CC[C@]12C[N@H+](Cc1ccnc(N3CCCC3)n1)CCO2 ZINC000019704488 569233428 /nfs/dbraw/zinc/23/34/28/569233428.db2.gz WIUVPTWYXVMTIM-SANMLTNESA-N 1 2 447.583 2.679 40 0 IFABLO O=C1N(CCc2ccccc2)CC=CC[C@]12C[N@@H+](Cc1ccnc(N3CCCC3)n1)CCO2 ZINC000019704488 569233429 /nfs/dbraw/zinc/23/34/29/569233429.db2.gz WIUVPTWYXVMTIM-SANMLTNESA-N 1 2 447.583 2.679 40 0 IFABLO COc1cccc(OC)c1C[N@@H+]1CCO[C@@H](c2ccnc3c(Cn4cccn4)c(C)nn32)C1 ZINC000019707769 569234532 /nfs/dbraw/zinc/23/45/32/569234532.db2.gz XLAVCQLEOXGSJI-HSZRJFAPSA-N 1 2 448.527 2.873 40 0 IFABLO COc1cccc(OC)c1C[N@H+]1CCO[C@@H](c2ccnc3c(Cn4cccn4)c(C)nn32)C1 ZINC000019707769 569234533 /nfs/dbraw/zinc/23/45/33/569234533.db2.gz XLAVCQLEOXGSJI-HSZRJFAPSA-N 1 2 448.527 2.873 40 0 IFABLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](c3nc(C)c4c(n3)N(CCC(C)C)C(=O)CC4)C2)no1 ZINC000019738859 569236158 /nfs/dbraw/zinc/23/61/58/569236158.db2.gz ALHLDNONDDXFKM-QGZVFWFLSA-N 1 2 440.548 2.835 40 0 IFABLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](c3nc(C)c4c(n3)N(CCC(C)C)C(=O)CC4)C2)no1 ZINC000019738859 569236159 /nfs/dbraw/zinc/23/61/59/569236159.db2.gz ALHLDNONDDXFKM-QGZVFWFLSA-N 1 2 440.548 2.835 40 0 IFABLO CC1=C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000072320873 291341866 /nfs/dbraw/zinc/34/18/66/291341866.db2.gz LEMFYBPBNROVGX-BQFCYCMXSA-N 1 2 425.512 2.902 40 0 biogenic,in-vitro IFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)COc3ccccc3)CC[N@@H+]21 ZINC000253394169 291341889 /nfs/dbraw/zinc/34/18/89/291341889.db2.gz AORMAZGLTPZENH-NRFANRHFSA-N 1 2 436.556 2.582 40 0 biogenic,in-vitro IFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)COc3ccccc3)CC[N@H+]21 ZINC000253394169 291341892 /nfs/dbraw/zinc/34/18/92/291341892.db2.gz AORMAZGLTPZENH-NRFANRHFSA-N 1 2 436.556 2.582 40 0 biogenic,in-vitro IFABLO C[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccc(C(=O)[O-])cc4)n3)cn2)CC1 ZINC000049155099 291343614 /nfs/dbraw/zinc/34/36/14/291343614.db2.gz ZBNFCQDXLVOEHI-FQEVSTJZSA-N 1 2 448.527 2.919 40 0 biogenic,in-vitro IFABLO C[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccc(C(=O)[O-])cc4)n3)cn2)CC1 ZINC000049155099 291343616 /nfs/dbraw/zinc/34/36/16/291343616.db2.gz ZBNFCQDXLVOEHI-FQEVSTJZSA-N 1 2 448.527 2.919 40 0 biogenic,in-vitro IFABLO Cc1cc(NC(=O)c2ccc3c(c2)[C@@H](c2ncn(C(C)C)n2)CN3S(C)(=O)=O)cc[nH+]1 ZINC000096267811 193949303 /nfs/dbraw/zinc/94/93/03/193949303.db2.gz KOTUKCOEIYAXBD-SFHVURJKSA-N 1 2 440.529 2.726 40 0 IFABLO C[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000020490326 524212932 /nfs/dbraw/zinc/21/29/32/524212932.db2.gz SQFYZVYZYUULQQ-HNNXBMFYSA-N 1 2 432.933 2.997 40 0 IFABLO COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000022524279 525023105 /nfs/dbraw/zinc/02/31/05/525023105.db2.gz IFDHBNZEHLAOAN-UHFFFAOYSA-N 1 2 440.525 2.595 40 0 IFABLO O=C(N[C@H]1CCc2ccc(S(=O)(=O)NCCNc3cccc[nH+]3)cc21)C1CCCC1 ZINC000072345868 527070822 /nfs/dbraw/zinc/07/08/22/527070822.db2.gz CUROWRDPUXWNAH-FQEVSTJZSA-N 1 2 428.558 2.766 40 0 IFABLO CCOC(=O)Nc1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC000408585332 555936011 /nfs/dbraw/zinc/93/60/11/555936011.db2.gz DTMRTXYEYBKYKU-UHFFFAOYSA-N 1 2 433.530 2.770 40 0 IFABLO O=C(NCCCn1cc[nH+]c1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408597768 555956005 /nfs/dbraw/zinc/95/60/05/555956005.db2.gz YBEYANUYNFGPKZ-FQEVSTJZSA-N 1 2 426.542 2.644 40 0 IFABLO Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2C)c1 ZINC000408620103 555989319 /nfs/dbraw/zinc/98/93/19/555989319.db2.gz MXOQKMCKQNTYGV-UHFFFAOYSA-N 1 2 445.585 2.865 40 0 IFABLO COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000408700421 556102555 /nfs/dbraw/zinc/10/25/55/556102555.db2.gz FTFOJDDPVBKIRO-LJQANCHMSA-N 1 2 448.589 2.622 40 0 IFABLO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C(=O)N1CCCC1 ZINC000030754424 556504185 /nfs/dbraw/zinc/50/41/85/556504185.db2.gz IYDZGWCWFZAUQD-UHFFFAOYSA-N 1 2 440.525 2.595 40 0 IFABLO O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CC[NH+]1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000034878159 556585375 /nfs/dbraw/zinc/58/53/75/556585375.db2.gz IRMUKTVOJHDYFJ-GHSBBIOCSA-N 1 2 434.565 2.739 40 0 IFABLO CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000038755541 556617497 /nfs/dbraw/zinc/61/74/97/556617497.db2.gz TZDVBMZXBQGWQY-FQEVSTJZSA-N 1 2 430.505 2.872 40 0 IFABLO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@H](O)c3c(C)[nH]c4cc(C)ccc43)CC2)cc1 ZINC000019219628 556714002 /nfs/dbraw/zinc/71/40/02/556714002.db2.gz SIJVYBGPTRNJKN-QFIPXVFZSA-N 1 2 443.569 2.833 40 0 IFABLO Cc1cccc(-c2ccc(C[C@@]3(C(=O)N(C)C)CN(C(=O)Cn4cc[nH+]c4)CCO3)cc2)c1 ZINC000019235366 556719632 /nfs/dbraw/zinc/71/96/32/556719632.db2.gz BNXHZDQVHBRCBS-SANMLTNESA-N 1 2 446.551 2.787 40 0 IFABLO Cc1nc2c(c(N3CCN(C(=O)c4cccnc4)CC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000019286213 556727773 /nfs/dbraw/zinc/72/77/73/556727773.db2.gz VINOELRATDSTDJ-UHFFFAOYSA-N 1 2 428.540 2.701 40 0 IFABLO Cc1nc2c(c(N3CCN(C(=O)c4cccnc4)CC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000019286213 556727777 /nfs/dbraw/zinc/72/77/77/556727777.db2.gz VINOELRATDSTDJ-UHFFFAOYSA-N 1 2 428.540 2.701 40 0 IFABLO O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2C(=O)c1ccncc1 ZINC000019336194 556738556 /nfs/dbraw/zinc/73/85/56/556738556.db2.gz OYDZLFSQKISDHT-FKBYEOEOSA-N 1 2 433.487 2.574 40 0 IFABLO CC(C)NC(=O)C[NH+]1CCN(c2ncc(-c3cccs3)c(-c3nccs3)n2)CC1 ZINC000019449905 556760835 /nfs/dbraw/zinc/76/08/35/556760835.db2.gz JBLOREVWVBTKNA-UHFFFAOYSA-N 1 2 428.587 2.975 40 0 IFABLO CCOc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000001348223 556780227 /nfs/dbraw/zinc/78/02/27/556780227.db2.gz HXEMHDGGKHAKLK-NRFANRHFSA-N 1 2 438.507 2.546 40 0 IFABLO COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCCC3)c(=O)[nH]c2c1 ZINC000006282844 556831445 /nfs/dbraw/zinc/83/14/45/556831445.db2.gz GJAZGBSYZQTJIS-RXVVDRJESA-N 1 2 438.532 2.668 40 0 IFABLO CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)c(C)c2)nc2c1C[N@H+](C)CC2 ZINC000019710249 556872122 /nfs/dbraw/zinc/87/21/22/556872122.db2.gz CVBPHPBFGHMWDL-LJQANCHMSA-N 1 2 433.553 2.870 40 0 IFABLO CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)c(C)c2)nc2c1C[N@@H+](C)CC2 ZINC000019710249 556872125 /nfs/dbraw/zinc/87/21/25/556872125.db2.gz CVBPHPBFGHMWDL-LJQANCHMSA-N 1 2 433.553 2.870 40 0 IFABLO CN(C)c1nc([C@H]2CCCCN2C(=O)COc2ccc(F)cc2F)nc2c1C[N@H+](C)CC2 ZINC000019710368 556872750 /nfs/dbraw/zinc/87/27/50/556872750.db2.gz DIECFUBSMCEPCQ-LJQANCHMSA-N 1 2 445.514 2.941 40 0 IFABLO CN(C)c1nc([C@H]2CCCCN2C(=O)COc2ccc(F)cc2F)nc2c1C[N@@H+](C)CC2 ZINC000019710368 556872752 /nfs/dbraw/zinc/87/27/52/556872752.db2.gz DIECFUBSMCEPCQ-LJQANCHMSA-N 1 2 445.514 2.941 40 0 IFABLO CNc1nc(C2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)nc2c1C[N@H+](C)CC2 ZINC000019711415 556876105 /nfs/dbraw/zinc/87/61/05/556876105.db2.gz MBWOTNAKZZKNDX-OAHLLOKOSA-N 1 2 427.524 2.819 40 0 IFABLO CNc1nc(C2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)nc2c1C[N@@H+](C)CC2 ZINC000019711415 556876107 /nfs/dbraw/zinc/87/61/07/556876107.db2.gz MBWOTNAKZZKNDX-OAHLLOKOSA-N 1 2 427.524 2.819 40 0 IFABLO Cc1nonc1NC(=O)C[NH+]1CCC([C@H]2CCCCN(CCc3ccccc3)C2=O)CC1 ZINC000019744134 556889865 /nfs/dbraw/zinc/88/98/65/556889865.db2.gz IUIARSFRWQMKIY-OAQYLSRUSA-N 1 2 439.560 2.900 40 0 IFABLO Cc1cc(-c2cc3nc4c(c(NC[C@@H](O)C[NH+]5CCOCC5)n3n2)CCCC4)c(C)o1 ZINC000072337451 556910203 /nfs/dbraw/zinc/91/02/03/556910203.db2.gz LWMZJABUNNCAAS-QGZVFWFLSA-N 1 2 425.533 2.590 40 0 IFABLO Cc1cccnc1[C@H](O)c1cccc(F)c1N1CC[NH+](Cc2cnc(N(C)C)nc2)CC1 ZINC000072340681 556912466 /nfs/dbraw/zinc/91/24/66/556912466.db2.gz AJYSXBZEVVEAJQ-HSZRJFAPSA-N 1 2 436.535 2.789 40 0 IFABLO Cc1nc(C)c(C(=O)N2CCC[C@H](c3ccc(C(=O)N4CC[NH+](C)CC4)cn3)C2)s1 ZINC000019767368 556912484 /nfs/dbraw/zinc/91/24/84/556912484.db2.gz UGAUXMQZWYBGOP-SFHVURJKSA-N 1 2 427.574 2.562 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)NC3(c4cccc(F)c4)CCCC3)cc2)CC1 ZINC000072346524 556918011 /nfs/dbraw/zinc/91/80/11/556918011.db2.gz BXFORPDUXZRXIS-UHFFFAOYSA-N 1 2 445.560 2.961 40 0 IFABLO CC(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)N1CC[NH+](CCO)CC1 ZINC000072370823 556936805 /nfs/dbraw/zinc/93/68/05/556936805.db2.gz VQNLADVBHBSGBF-LJQANCHMSA-N 1 2 443.613 2.985 40 0 IFABLO CNc1nc([C@@H]2CCCCN2C(=O)CC2(NC(C)=O)CCCCC2)nc2c1C[N@H+](C)CC2 ZINC000072372305 556942222 /nfs/dbraw/zinc/94/22/22/556942222.db2.gz ILVRUNAGTVUUNO-FQEVSTJZSA-N 1 2 442.608 2.789 40 0 IFABLO CNc1nc([C@@H]2CCCCN2C(=O)CC2(NC(C)=O)CCCCC2)nc2c1C[N@@H+](C)CC2 ZINC000072372305 556942224 /nfs/dbraw/zinc/94/22/24/556942224.db2.gz ILVRUNAGTVUUNO-FQEVSTJZSA-N 1 2 442.608 2.789 40 0 IFABLO Cc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)S(C)(=O)=O ZINC000020105205 556981944 /nfs/dbraw/zinc/98/19/44/556981944.db2.gz DLXQAULDXIPESD-UHFFFAOYSA-N 1 2 432.933 2.917 40 0 IFABLO C[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000020108472 556984258 /nfs/dbraw/zinc/98/42/58/556984258.db2.gz QFKVHULMWONRBS-OAHLLOKOSA-N 1 2 432.933 2.997 40 0 IFABLO CC[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000020111380 556985963 /nfs/dbraw/zinc/98/59/63/556985963.db2.gz NPUVNPMAAORRGX-LJQANCHMSA-N 1 2 430.505 2.872 40 0 IFABLO COC(=O)[C@]1(CCSC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000020150619 556991285 /nfs/dbraw/zinc/99/12/85/556991285.db2.gz FXGOZSQZXFQEMS-NWZZKEMCSA-N 1 2 430.551 2.863 40 0 IFABLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NCc3cccs3)cn21 ZINC000096156663 557181479 /nfs/dbraw/zinc/18/14/79/557181479.db2.gz XHNIPJHKZDPRRU-HXUWFJFHSA-N 1 2 447.568 2.605 40 0 IFABLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NCc3cccs3)cn21 ZINC000096156663 557181484 /nfs/dbraw/zinc/18/14/84/557181484.db2.gz XHNIPJHKZDPRRU-HXUWFJFHSA-N 1 2 447.568 2.605 40 0 IFABLO O=C(C[C@]1(COc2ccc(F)cc2)C[N@H+](Cc2ccccc2F)CCO1)N1CCOCC1 ZINC000585273449 557215775 /nfs/dbraw/zinc/21/57/75/557215775.db2.gz OJALWRFGFVKVIP-XMMPIXPASA-N 1 2 446.494 2.864 40 0 IFABLO O=C(C[C@]1(COc2ccc(F)cc2)C[N@@H+](Cc2ccccc2F)CCO1)N1CCOCC1 ZINC000585273449 557215779 /nfs/dbraw/zinc/21/57/79/557215779.db2.gz OJALWRFGFVKVIP-XMMPIXPASA-N 1 2 446.494 2.864 40 0 IFABLO CCCC(=O)N1CCc2nc3cc(C4CC[NH+](Cc5cccnc5)CC4)[nH]n3c(=O)c2C1 ZINC000100232650 557250072 /nfs/dbraw/zinc/25/00/72/557250072.db2.gz RTASBVAAGVIKBJ-UHFFFAOYSA-N 1 2 434.544 2.894 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500288 557323965 /nfs/dbraw/zinc/32/39/65/557323965.db2.gz KPGTYTQNWTZIKP-HXUWFJFHSA-N 1 2 442.564 2.860 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500288 557323967 /nfs/dbraw/zinc/32/39/67/557323967.db2.gz KPGTYTQNWTZIKP-HXUWFJFHSA-N 1 2 442.564 2.860 40 0 IFABLO COC(=O)C1=C(C[NH2+]Cc2ccccc2Cl)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566246 557344272 /nfs/dbraw/zinc/34/42/72/557344272.db2.gz KIIAATQUOCCMIB-HXUWFJFHSA-N 1 2 445.903 2.928 40 0 IFABLO COC(=O)C1C(C[NH2+]Cc2ccccc2Cl)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566246 557344273 /nfs/dbraw/zinc/34/42/73/557344273.db2.gz KIIAATQUOCCMIB-HXUWFJFHSA-N 1 2 445.903 2.928 40 0 IFABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222772157 557385057 /nfs/dbraw/zinc/38/50/57/557385057.db2.gz RJBVQXVCSZEFEC-LJQANCHMSA-N 1 2 443.975 2.748 40 0 IFABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000222840952 557392664 /nfs/dbraw/zinc/39/26/64/557392664.db2.gz TVCZDZGTGUAOJY-LJQANCHMSA-N 1 2 443.975 2.748 40 0 IFABLO CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223056927 557422608 /nfs/dbraw/zinc/42/26/08/557422608.db2.gz WGMDKGFYLXBPST-DEOSSOPVSA-N 1 2 437.584 2.875 40 0 IFABLO CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223122116 557434571 /nfs/dbraw/zinc/43/45/71/557434571.db2.gz RWGFNVWPWHOFMM-QHCPKHFHSA-N 1 2 443.975 2.748 40 0 IFABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1CC[NH+]1CCOCC1 ZINC000223126836 557435526 /nfs/dbraw/zinc/43/55/26/557435526.db2.gz APORXRLDGGUEEX-FGZHOGPDSA-N 1 2 434.569 2.572 40 0 IFABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1CC[NH+]1CCOCC1 ZINC000223155897 557439803 /nfs/dbraw/zinc/43/98/03/557439803.db2.gz LOKXHRISPGSPFU-PKTZIBPZSA-N 1 2 448.596 2.631 40 0 IFABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1CC[NH+]1CCOCC1 ZINC000223155780 557439846 /nfs/dbraw/zinc/43/98/46/557439846.db2.gz LOKXHRISPGSPFU-DHIUTWEWSA-N 1 2 448.596 2.631 40 0 IFABLO CS(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000115168948 557444394 /nfs/dbraw/zinc/44/43/94/557444394.db2.gz AEWADQGOYJHBLH-RMKNXTFCSA-N 1 2 447.988 2.964 40 0 IFABLO CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223196421 557444974 /nfs/dbraw/zinc/44/49/74/557444974.db2.gz LFCDCVMZWJSJLI-HSZRJFAPSA-N 1 2 441.547 2.624 40 0 IFABLO CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223548335 557484500 /nfs/dbraw/zinc/48/45/00/557484500.db2.gz YBFJJAPUAFTYRM-XMMPIXPASA-N 1 2 439.556 2.624 40 0 IFABLO CCCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000019824129 557508181 /nfs/dbraw/zinc/50/81/81/557508181.db2.gz CIZLNRXSMUVEFP-UHFFFAOYSA-N 1 2 430.618 2.954 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)NCC(C)C)cc2c1 ZINC000019824453 557508561 /nfs/dbraw/zinc/50/85/61/557508561.db2.gz DDUHUVRCNWVXQH-UHFFFAOYSA-N 1 2 446.617 2.592 40 0 IFABLO CCc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000223961223 557535080 /nfs/dbraw/zinc/53/50/80/557535080.db2.gz NNZGGFDRLTVQSE-GOSISDBHSA-N 1 2 429.586 2.817 40 0 IFABLO COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCCCn3cc[nH+]c3)ccc2C)cc1 ZINC000224326842 557592017 /nfs/dbraw/zinc/59/20/17/557592017.db2.gz WZRNBPJVFAINIU-UHFFFAOYSA-N 1 2 442.541 2.845 40 0 IFABLO CS(=O)(=O)N(CCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1F ZINC000224855129 557659169 /nfs/dbraw/zinc/65/91/69/557659169.db2.gz XOQSRFDVYOMUFV-UHFFFAOYSA-N 1 2 430.505 2.874 40 0 IFABLO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000225478432 557727641 /nfs/dbraw/zinc/72/76/41/557727641.db2.gz XPZFWSGFSVAOCV-UHFFFAOYSA-N 1 2 438.553 2.898 40 0 IFABLO CSc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1NC(C)=O ZINC000225542755 557739273 /nfs/dbraw/zinc/73/92/73/557739273.db2.gz XUIXNUKNMYWEPR-UHFFFAOYSA-N 1 2 449.598 2.678 40 0 IFABLO Cc1nc(NS(C)(=O)=O)sc1C(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000225876585 557787933 /nfs/dbraw/zinc/78/79/33/557787933.db2.gz NFAIGBIGSZBKOM-UHFFFAOYSA-N 1 2 439.950 2.867 40 0 IFABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(CCOc3ccc(F)c(F)c3)n(C)n2)C1 ZINC000257209851 568669618 /nfs/dbraw/zinc/66/96/18/568669618.db2.gz BSEABLRLPDMZTO-QFIPXVFZSA-N 1 2 431.487 2.935 40 0 IFABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(CCOc3ccc(F)c(F)c3)n(C)n2)C1 ZINC000257209851 568669620 /nfs/dbraw/zinc/66/96/20/568669620.db2.gz BSEABLRLPDMZTO-QFIPXVFZSA-N 1 2 431.487 2.935 40 0 IFABLO O=C(CC[N@@H+]1CCO[C@H](c2cccc(Cc3cccc(Cl)c3)n2)C1)N1CCOCC1 ZINC000257220675 568674699 /nfs/dbraw/zinc/67/46/99/568674699.db2.gz DLROKKDXUKHHPE-QFIPXVFZSA-N 1 2 429.948 2.948 40 0 IFABLO O=C(CC[N@H+]1CCO[C@H](c2cccc(Cc3cccc(Cl)c3)n2)C1)N1CCOCC1 ZINC000257220675 568674703 /nfs/dbraw/zinc/67/47/03/568674703.db2.gz DLROKKDXUKHHPE-QFIPXVFZSA-N 1 2 429.948 2.948 40 0 IFABLO COc1ccc([C@H]2CN(CC(=O)Nc3cc(OC)ccc3NC(C)=O)CC[N@@H+]2C)cc1 ZINC000257253293 568690190 /nfs/dbraw/zinc/69/01/90/568690190.db2.gz JYHQBPKAFLUZNW-JOCHJYFZSA-N 1 2 426.517 2.589 40 0 IFABLO COc1ccc([C@H]2CN(CC(=O)Nc3cc(OC)ccc3NC(C)=O)CC[N@H+]2C)cc1 ZINC000257253293 568690191 /nfs/dbraw/zinc/69/01/91/568690191.db2.gz JYHQBPKAFLUZNW-JOCHJYFZSA-N 1 2 426.517 2.589 40 0 IFABLO Cc1nc2cc([C@H]3CCC[N@@H+]3Cc3cccnc3)nn2c(C)c1CCC(=O)N1CCOCC1 ZINC000257253898 568690353 /nfs/dbraw/zinc/69/03/53/568690353.db2.gz KASYPIOIQIGGAH-HSZRJFAPSA-N 1 2 448.571 2.870 40 0 IFABLO Cc1nc2cc([C@H]3CCC[N@H+]3Cc3cccnc3)nn2c(C)c1CCC(=O)N1CCOCC1 ZINC000257253898 568690356 /nfs/dbraw/zinc/69/03/56/568690356.db2.gz KASYPIOIQIGGAH-HSZRJFAPSA-N 1 2 448.571 2.870 40 0 IFABLO CN(C)S(=O)(=O)N1CC[C@H](c2n[nH]cc2-c2cc[nH+]c(NCc3ccc(F)cc3)c2)C1 ZINC000257289226 568706643 /nfs/dbraw/zinc/70/66/43/568706643.db2.gz PXQGRJRSMQJIRO-KRWDZBQOSA-N 1 2 444.536 2.819 40 0 IFABLO CN(C)S(=O)(=O)N1CC[C@H](c2n[nH]cc2-c2cc[nH+]c(NCc3cccc(F)c3)c2)C1 ZINC000257311905 568716266 /nfs/dbraw/zinc/71/62/66/568716266.db2.gz ULNMZAWTZJCKRB-KRWDZBQOSA-N 1 2 444.536 2.819 40 0 IFABLO Cc1nonc1COc1ccccc1C(=O)N1CCOC[C@H](Cc2ccc3[nH+]ccn3c2)C1 ZINC000257316846 568718606 /nfs/dbraw/zinc/71/86/06/568718606.db2.gz VHGRWJUSGGIVJU-LJQANCHMSA-N 1 2 447.495 2.936 40 0 IFABLO COc1cccc(C(=O)N2CCCC[C@H]3C[N@H+](CC(=O)Nc4nccs4)C[C@H]32)c1OC ZINC000257322566 568720922 /nfs/dbraw/zinc/72/09/22/568720922.db2.gz WGMYDHVUFSTKAO-DOTOQJQBSA-N 1 2 444.557 2.726 40 0 IFABLO COc1cccc(C(=O)N2CCCC[C@H]3C[N@@H+](CC(=O)Nc4nccs4)C[C@H]32)c1OC ZINC000257322566 568720926 /nfs/dbraw/zinc/72/09/26/568720926.db2.gz WGMYDHVUFSTKAO-DOTOQJQBSA-N 1 2 444.557 2.726 40 0 IFABLO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ncc(Cc3ccccc3)s2)C1 ZINC000257323150 568721476 /nfs/dbraw/zinc/72/14/76/568721476.db2.gz WIYFMNAFQLYDTK-QHCPKHFHSA-N 1 2 435.553 2.587 40 0 IFABLO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3)s2)C1 ZINC000257323150 568721478 /nfs/dbraw/zinc/72/14/78/568721478.db2.gz WIYFMNAFQLYDTK-QHCPKHFHSA-N 1 2 435.553 2.587 40 0 IFABLO O=C1O[C@@]2(CN1c1cccc(F)c1)COCC[N@H+](Cc1ccnc(N3CCCCC3)n1)C2 ZINC000257335781 568726938 /nfs/dbraw/zinc/72/69/38/568726938.db2.gz YLVQVRMCSNHUFR-QHCPKHFHSA-N 1 2 441.507 2.834 40 0 IFABLO O=C1O[C@@]2(CN1c1cccc(F)c1)COCC[N@@H+](Cc1ccnc(N3CCCCC3)n1)C2 ZINC000257335781 568726940 /nfs/dbraw/zinc/72/69/40/568726940.db2.gz YLVQVRMCSNHUFR-QHCPKHFHSA-N 1 2 441.507 2.834 40 0 IFABLO COc1ccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1OC ZINC000261363159 568733056 /nfs/dbraw/zinc/73/30/56/568733056.db2.gz GFIFJXWBCRBWHU-FQEVSTJZSA-O 1 2 425.490 2.789 40 0 IFABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4csc(C)n4)CC2)C[N@@H+](C)C3)cc1 ZINC000306126471 568764181 /nfs/dbraw/zinc/76/41/81/568764181.db2.gz DWUAQXCNVCPNMB-UHFFFAOYSA-N 1 2 438.557 2.796 40 0 IFABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4csc(C)n4)CC2)C[N@H+](C)C3)cc1 ZINC000306126471 568764182 /nfs/dbraw/zinc/76/41/82/568764182.db2.gz DWUAQXCNVCPNMB-UHFFFAOYSA-N 1 2 438.557 2.796 40 0 IFABLO Cc1nc(CN2CC[C@@]3(CN(C(=O)N(C)C)C[C@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306132031 568766865 /nfs/dbraw/zinc/76/68/65/568766865.db2.gz KVYASFZTGNRYCH-UWJYYQICSA-N 1 2 430.578 2.729 40 0 IFABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccncc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306131632 568766986 /nfs/dbraw/zinc/76/69/86/568766986.db2.gz KKPGPEYCTZFDGS-PXDATVDWSA-N 1 2 444.539 2.913 40 0 IFABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccccn3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306138425 568770419 /nfs/dbraw/zinc/77/04/19/568770419.db2.gz RXGWGZYRQUZFFH-CPJSRVTESA-N 1 2 444.539 2.913 40 0 IFABLO CCOCC(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC000306138616 568770643 /nfs/dbraw/zinc/77/06/43/568770643.db2.gz SCFYLOSIUIALPW-GCJKJVERSA-N 1 2 445.589 2.610 40 0 IFABLO O=S1(=O)c2ccccc2O[C@@]2(CC[N@H+](Cc3ccccn3)C2)CN1Cc1ccccn1 ZINC000306143090 568773063 /nfs/dbraw/zinc/77/30/63/568773063.db2.gz XTERSULCTFKIQK-HSZRJFAPSA-N 1 2 436.537 2.705 40 0 IFABLO O=S1(=O)c2ccccc2O[C@@]2(CC[N@@H+](Cc3ccccn3)C2)CN1Cc1ccccn1 ZINC000306143090 568773066 /nfs/dbraw/zinc/77/30/66/568773066.db2.gz XTERSULCTFKIQK-HSZRJFAPSA-N 1 2 436.537 2.705 40 0 IFABLO COCCC(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC000306144013 568773626 /nfs/dbraw/zinc/77/36/26/568773626.db2.gz YTJMKXYSJLHEHT-PGRDOPGGSA-N 1 2 445.589 2.610 40 0 IFABLO OCCNc1nc(Nc2ccc(I)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329032691 568809972 /nfs/dbraw/zinc/80/99/72/568809972.db2.gz QPBLEBKFXJHVNF-UHFFFAOYSA-N 1 2 430.677 2.604 40 0 IFABLO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccncc4)n3)ccn2)CC1 ZINC000049154998 291340339 /nfs/dbraw/zinc/34/03/39/291340339.db2.gz GMULYNAYOMLGDG-FQEVSTJZSA-N 1 2 433.516 2.532 40 0 biogenic,in-vitro IFABLO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccncc4)n3)ccn2)CC1 ZINC000049154998 291340341 /nfs/dbraw/zinc/34/03/41/291340341.db2.gz GMULYNAYOMLGDG-FQEVSTJZSA-N 1 2 433.516 2.532 40 0 biogenic,in-vitro IFABLO CC[NH+]1CCN(S(=O)(=O)c2cc(C)c(Br)cc2Br)CC1 ZINC000054362992 193931487 /nfs/dbraw/zinc/93/14/87/193931487.db2.gz QOKYGAHLBWPTGE-UHFFFAOYSA-N 1 2 426.174 2.846 40 0 IFABLO CC[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C)Cc1ccccc1 ZINC000096251305 193944097 /nfs/dbraw/zinc/94/40/97/193944097.db2.gz OMMPLCGFEOIBSL-HXUWFJFHSA-N 1 2 443.613 2.930 40 0 IFABLO CC(=O)N1CCN(c2ccc([NH2+]Cc3cc4cc5c(cc4[nH]c3=O)OCCO5)cc2)CC1 ZINC000013563006 132349874 /nfs/dbraw/zinc/34/98/74/132349874.db2.gz PVMLVGOWHMRQRQ-UHFFFAOYSA-N 1 2 434.496 2.580 40 0 IFABLO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 ZINC000022609216 521481249 /nfs/dbraw/zinc/48/12/49/521481249.db2.gz XEFHSALGGVOLTM-LJQANCHMSA-N 1 2 438.480 2.571 40 0 IFABLO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 ZINC000022609216 521481257 /nfs/dbraw/zinc/48/12/57/521481257.db2.gz XEFHSALGGVOLTM-LJQANCHMSA-N 1 2 438.480 2.571 40 0 IFABLO COc1ccc(-c2noc([C@@H]3C[C@H](NS(=O)(=O)Cc4ccccc4)C[N@@H+]3C)n2)cc1 ZINC000012529938 523300513 /nfs/dbraw/zinc/30/05/13/523300513.db2.gz PIQLOXMGIKMVMG-HKUYNNGSSA-N 1 2 428.514 2.610 40 0 biogenic,in-vitro IFABLO COc1ccc(-c2noc([C@@H]3C[C@H](NS(=O)(=O)Cc4ccccc4)C[N@H+]3C)n2)cc1 ZINC000012529938 523300523 /nfs/dbraw/zinc/30/05/23/523300523.db2.gz PIQLOXMGIKMVMG-HKUYNNGSSA-N 1 2 428.514 2.610 40 0 biogenic,in-vitro IFABLO COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000020456849 524214689 /nfs/dbraw/zinc/21/46/89/524214689.db2.gz JWXYXKCYZZQTHD-UHFFFAOYSA-N 1 2 448.932 2.617 40 0 IFABLO COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)S(C)(=O)=O ZINC000020460333 524214761 /nfs/dbraw/zinc/21/47/61/524214761.db2.gz NMELDJFBDPEBNY-UHFFFAOYSA-N 1 2 448.932 2.617 40 0 IFABLO COc1ccc(SCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000022533849 525098987 /nfs/dbraw/zinc/09/89/87/525098987.db2.gz PTYQCVGOHNUFLS-UHFFFAOYSA-N 1 2 430.526 2.869 40 0 IFABLO O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020462689 527254227 /nfs/dbraw/zinc/25/42/27/527254227.db2.gz IUYWXFISHMXJEM-UHFFFAOYSA-N 1 2 443.569 2.946 40 0 IFABLO CCOc1ccccc1N(CC(=O)NCCCn1cc[nH+]c1)S(=O)(=O)c1ccccc1 ZINC000408610369 555980743 /nfs/dbraw/zinc/98/07/43/555980743.db2.gz QJXWLJNSDQZLDI-UHFFFAOYSA-N 1 2 442.541 2.684 40 0 IFABLO CCc1ccccc1N(CC(=O)NCCCn1cc[nH+]c1)S(=O)(=O)c1ccccc1 ZINC000408615201 555986244 /nfs/dbraw/zinc/98/62/44/555986244.db2.gz NHCIQUSRHRMYHP-UHFFFAOYSA-N 1 2 426.542 2.847 40 0 IFABLO COc1cccc(N(CC(=O)NCCCn2cc[nH+]c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408617006 555988026 /nfs/dbraw/zinc/98/80/26/555988026.db2.gz DQSLROYJINUAHM-UHFFFAOYSA-N 1 2 442.541 2.602 40 0 IFABLO Cc1cccc(C)c1N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(C)(=O)=O ZINC000408622136 555991131 /nfs/dbraw/zinc/99/11/31/555991131.db2.gz AYMIDYSALXZXLG-MDWZMJQESA-N 1 2 441.597 2.927 40 0 IFABLO Cc1ccc(CN(CC(=O)NCCCn2cc[nH+]c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408623290 555991950 /nfs/dbraw/zinc/99/19/50/555991950.db2.gz SDHLWDYEBYBZCJ-UHFFFAOYSA-N 1 2 440.569 2.897 40 0 IFABLO COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000006148987 556078258 /nfs/dbraw/zinc/07/82/58/556078258.db2.gz BJZOKVJGTYDAHH-GHTZIAJQSA-N 1 2 438.532 2.524 40 0 IFABLO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC000013581449 556527673 /nfs/dbraw/zinc/52/76/73/556527673.db2.gz KKKDEBFSDXNYCT-UHFFFAOYSA-N 1 2 445.585 2.684 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Br)cc3)c2)CC1 ZINC000016028024 556576580 /nfs/dbraw/zinc/57/65/80/556576580.db2.gz NDVRXUSYEDJQPJ-UHFFFAOYSA-N 1 2 438.347 2.638 40 0 IFABLO CS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(Cl)c1 ZINC000038773087 556619784 /nfs/dbraw/zinc/61/97/84/556619784.db2.gz SXYWOXGNYOWCJW-UHFFFAOYSA-N 1 2 436.896 2.747 40 0 IFABLO CCN(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000039986076 556632456 /nfs/dbraw/zinc/63/24/56/556632456.db2.gz HDDOUZVOVSRBJQ-RMKNXTFCSA-N 1 2 445.560 2.694 40 0 IFABLO Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000044848692 556670270 /nfs/dbraw/zinc/67/02/70/556670270.db2.gz SBHKGLRWFBHANK-UHFFFAOYSA-N 1 2 432.933 2.917 40 0 IFABLO CC(=O)N[C@H]1CC[C@](CNC(=O)Cn2c(C)[nH+]c3ccccc32)(c2ccccc2)CC[C@@H]1O ZINC000257229562 556708997 /nfs/dbraw/zinc/70/89/97/556708997.db2.gz FYONGJBSNDWWOE-GVUKDKGQSA-N 1 2 448.567 2.839 40 0 IFABLO O=C(C[N@@H+]1CCc2nc(N3CCCCC3)[nH]c(=O)c2C1)Nc1cccc(C(F)(F)F)c1 ZINC000019330689 556736805 /nfs/dbraw/zinc/73/68/05/556736805.db2.gz XSQCFPOEMYJILL-UHFFFAOYSA-N 1 2 435.450 2.776 40 0 IFABLO O=C(C[N@H+]1CCc2nc(N3CCCCC3)[nH]c(=O)c2C1)Nc1cccc(C(F)(F)F)c1 ZINC000019330689 556736808 /nfs/dbraw/zinc/73/68/08/556736808.db2.gz XSQCFPOEMYJILL-UHFFFAOYSA-N 1 2 435.450 2.776 40 0 IFABLO COc1ccc(C[N@@H+](Cc2ccnc(N3CCOCC3)n2)C[C@H]2CCCO2)c(OC)c1 ZINC000019552162 556796006 /nfs/dbraw/zinc/79/60/06/556796006.db2.gz IRRPSIAGBNSVPY-OAQYLSRUSA-N 1 2 428.533 2.512 40 0 IFABLO COc1ccc(C[N@H+](Cc2ccnc(N3CCOCC3)n2)C[C@H]2CCCO2)c(OC)c1 ZINC000019552162 556796008 /nfs/dbraw/zinc/79/60/08/556796008.db2.gz IRRPSIAGBNSVPY-OAQYLSRUSA-N 1 2 428.533 2.512 40 0 IFABLO C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc2c(c1)CCCC2 ZINC000060959894 556809505 /nfs/dbraw/zinc/80/95/05/556809505.db2.gz WKCRGMPRLKBZNN-SFHVURJKSA-N 1 2 441.597 2.993 40 0 IFABLO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@H](O)c3c(C)n(C)c4ccccc43)CC2)cc1 ZINC000019581820 556819943 /nfs/dbraw/zinc/81/99/43/556819943.db2.gz ISLNJIOIWGQWEO-QFIPXVFZSA-N 1 2 443.569 2.535 40 0 IFABLO CCC(C)(C)n1nnnc1C[NH+]1CCC(NC(=O)c2ccc(Br)cc2)CC1 ZINC000008828641 556849552 /nfs/dbraw/zinc/84/95/52/556849552.db2.gz CIDWMBFGIDEDKO-UHFFFAOYSA-N 1 2 435.370 2.975 40 0 IFABLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)n3cccn3)C2)nc2c1CC(=O)N2CCc1ccccc1 ZINC000019743738 556888755 /nfs/dbraw/zinc/88/87/55/556888755.db2.gz WKGPMSBSAPOEGA-HXUWFJFHSA-N 1 2 444.539 2.633 40 0 IFABLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)n3cccn3)C2)nc2c1CC(=O)N2CCc1ccccc1 ZINC000019743738 556888759 /nfs/dbraw/zinc/88/87/59/556888759.db2.gz WKGPMSBSAPOEGA-HXUWFJFHSA-N 1 2 444.539 2.633 40 0 IFABLO O=C([C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1)N1CC[NH+](Cc2ccco2)CC1 ZINC000072327031 556903586 /nfs/dbraw/zinc/90/35/86/556903586.db2.gz HXLRSHTYWMWOBI-FOUAFEINSA-N 1 2 434.540 2.912 40 0 IFABLO COc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)cc1O ZINC000072340556 556912334 /nfs/dbraw/zinc/91/23/34/556912334.db2.gz LQZALSCMHFZPHP-QFIPXVFZSA-N 1 2 426.492 2.677 40 0 IFABLO Cc1cccnc1[C@@H](O)c1cccc(F)c1N1CC[NH+](Cc2cnc(N(C)C)nc2)CC1 ZINC000072340682 556912585 /nfs/dbraw/zinc/91/25/85/556912585.db2.gz AJYSXBZEVVEAJQ-QHCPKHFHSA-N 1 2 436.535 2.789 40 0 IFABLO CC(=O)N1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)N1CC[NH+](CCO)CC1 ZINC000072370824 556936902 /nfs/dbraw/zinc/93/69/02/556936902.db2.gz VQNLADVBHBSGBF-IBGZPJMESA-N 1 2 443.613 2.985 40 0 IFABLO CNc1nc([C@H]2CCCCN2C(=O)CC2(NC(C)=O)CCCCC2)nc2c1C[N@H+](C)CC2 ZINC000072372304 556942256 /nfs/dbraw/zinc/94/22/56/556942256.db2.gz ILVRUNAGTVUUNO-HXUWFJFHSA-N 1 2 442.608 2.789 40 0 IFABLO CNc1nc([C@H]2CCCCN2C(=O)CC2(NC(C)=O)CCCCC2)nc2c1C[N@@H+](C)CC2 ZINC000072372304 556942258 /nfs/dbraw/zinc/94/22/58/556942258.db2.gz ILVRUNAGTVUUNO-HXUWFJFHSA-N 1 2 442.608 2.789 40 0 IFABLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1C[N@H+](Cc1ccc(N3CCCC3=O)cc1)CC2 ZINC000072372386 556942489 /nfs/dbraw/zinc/94/24/89/556942489.db2.gz PCJTYDFERDZJGP-JOCHJYFZSA-N 1 2 448.571 2.887 40 0 IFABLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1C[N@@H+](Cc1ccc(N3CCCC3=O)cc1)CC2 ZINC000072372386 556942492 /nfs/dbraw/zinc/94/24/92/556942492.db2.gz PCJTYDFERDZJGP-JOCHJYFZSA-N 1 2 448.571 2.887 40 0 IFABLO Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCCCn3cc[nH+]c3)cc2)cc1 ZINC000019937996 556952034 /nfs/dbraw/zinc/95/20/34/556952034.db2.gz UAXJITBYDRUWDF-UHFFFAOYSA-N 1 2 442.541 2.602 40 0 IFABLO COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020106115 556982670 /nfs/dbraw/zinc/98/26/70/556982670.db2.gz QCVMPCKQIGDZAQ-UHFFFAOYSA-N 1 2 440.525 2.595 40 0 IFABLO CCOC(=O)[C@]1(C)[NH2+][C@@H](c2sccc2C)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 ZINC000020150883 556991582 /nfs/dbraw/zinc/99/15/82/556991582.db2.gz GOVUQBBUCNXHLN-NRVIRDBHSA-N 1 2 428.510 2.837 40 0 IFABLO O=C(NCCc1ccncc1)c1cn(-c2[nH+]c(CNc3cccnc3)c3ccccn32)cn1 ZINC000096267082 557192928 /nfs/dbraw/zinc/19/29/28/557192928.db2.gz BKDKKLGQPSCRLZ-UHFFFAOYSA-N 1 2 438.495 2.895 40 0 IFABLO Cc1cc(NC(=O)c2ccc3nnc([C@@H]4C[N@@H+](Cc5ccccn5)CCN4C)n3c2)ccn1 ZINC000096268024 557193670 /nfs/dbraw/zinc/19/36/70/557193670.db2.gz VZFYGAPLZUXPIV-NRFANRHFSA-N 1 2 442.527 2.569 40 0 IFABLO Cc1cc(NC(=O)c2ccc3nnc([C@@H]4C[N@H+](Cc5ccccn5)CCN4C)n3c2)ccn1 ZINC000096268024 557193673 /nfs/dbraw/zinc/19/36/73/557193673.db2.gz VZFYGAPLZUXPIV-NRFANRHFSA-N 1 2 442.527 2.569 40 0 IFABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4ccc(C)cc4)CCOCC3)CC[N@@H+]2C)c1 ZINC000585261874 557197370 /nfs/dbraw/zinc/19/73/70/557197370.db2.gz GRXSNPYGEPGVQY-HSZRJFAPSA-N 1 2 435.568 2.918 40 0 IFABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4ccc(C)cc4)CCOCC3)CC[N@H+]2C)c1 ZINC000585261874 557197374 /nfs/dbraw/zinc/19/73/74/557197374.db2.gz GRXSNPYGEPGVQY-HSZRJFAPSA-N 1 2 435.568 2.918 40 0 IFABLO O=C(C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccccc1C[NH2+]CC2=O)NCc1ccccc1 ZINC000100034873 557208682 /nfs/dbraw/zinc/20/86/82/557208682.db2.gz KSCKOSAZKUICOZ-OFKJGTHESA-N 1 2 433.552 2.896 40 0 IFABLO CC(C)C(=O)N1CCc2nc3cc(C4CC[NH+](Cc5ccccn5)CC4)[nH]n3c(=O)c2C1 ZINC000100232627 557250023 /nfs/dbraw/zinc/25/00/23/557250023.db2.gz KBASZRRRFZEVKX-UHFFFAOYSA-N 1 2 434.544 2.750 40 0 IFABLO CCCC(=O)N1CCc2nc3cc(C4CC[NH+](CC5=CCCOC5)CC4)[nH]n3c(=O)c2C1 ZINC000100232602 557250127 /nfs/dbraw/zinc/25/01/27/557250127.db2.gz PRMSHXCBBBLLKR-UHFFFAOYSA-N 1 2 439.560 2.646 40 0 IFABLO O=C(C1CCC1)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](Cc2ccncc2)CC4)C1 ZINC000100233674 557250483 /nfs/dbraw/zinc/25/04/83/557250483.db2.gz NYXKCPZSJKZSBH-LJQANCHMSA-N 1 2 446.555 2.894 40 0 IFABLO O=C(C1CCC1)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](Cc2ccncc2)CC4)C1 ZINC000100233674 557250487 /nfs/dbraw/zinc/25/04/87/557250487.db2.gz NYXKCPZSJKZSBH-LJQANCHMSA-N 1 2 446.555 2.894 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCCO)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000057642701 557255933 /nfs/dbraw/zinc/25/59/33/557255933.db2.gz XZFNXBWSWXPNKU-UHFFFAOYSA-N 1 2 440.548 2.803 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000057642701 557255937 /nfs/dbraw/zinc/25/59/37/557255937.db2.gz XZFNXBWSWXPNKU-UHFFFAOYSA-N 1 2 440.548 2.803 40 0 IFABLO COc1ccc(Cn2nnnc2[C@@H](c2ccccc2Cl)[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000057671110 557256908 /nfs/dbraw/zinc/25/69/08/557256908.db2.gz QXYNGIZQMWQOJY-HXUWFJFHSA-N 1 2 440.935 2.670 40 0 IFABLO CCOC(=O)c1ccc(N2C(=O)C[C@H]([N@@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 ZINC000102332071 557301215 /nfs/dbraw/zinc/30/12/15/557301215.db2.gz XEFHSALGGVOLTM-IBGZPJMESA-N 1 2 438.480 2.571 40 0 IFABLO CCOC(=O)c1ccc(N2C(=O)C[C@H]([N@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 ZINC000102332071 557301218 /nfs/dbraw/zinc/30/12/18/557301218.db2.gz XEFHSALGGVOLTM-IBGZPJMESA-N 1 2 438.480 2.571 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2)CC1 ZINC000222804527 557388337 /nfs/dbraw/zinc/38/83/37/557388337.db2.gz QDXORVQFBLYLLM-UHFFFAOYSA-N 1 2 437.565 2.847 40 0 IFABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000222840884 557392315 /nfs/dbraw/zinc/39/23/15/557392315.db2.gz TVCZDZGTGUAOJY-IBGZPJMESA-N 1 2 443.975 2.748 40 0 IFABLO C[C@H]1Cc2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)ccc2N1S(C)(=O)=O ZINC000025767334 557419507 /nfs/dbraw/zinc/41/95/07/557419507.db2.gz PUOADDQVKODOFU-AIADIJKESA-N 1 2 439.581 2.868 40 0 IFABLO C[C@@H]1Cc2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)ccc2N1S(C)(=O)=O ZINC000025767331 557419527 /nfs/dbraw/zinc/41/95/27/557419527.db2.gz PUOADDQVKODOFU-MBNRZODZSA-N 1 2 439.581 2.868 40 0 IFABLO CS(=O)(=O)N1CCCc2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)ccc21 ZINC000223065923 557424805 /nfs/dbraw/zinc/42/48/05/557424805.db2.gz KGFPHAPMRYKKFM-WEVVVXLNSA-N 1 2 439.581 2.870 40 0 IFABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1CC[NH+]1CCOCC1 ZINC000223127074 557435465 /nfs/dbraw/zinc/43/54/65/557435465.db2.gz GDIBRPJGEYRSPR-FGZHOGPDSA-N 1 2 434.569 2.572 40 0 IFABLO Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)nc1 ZINC000223129827 557436130 /nfs/dbraw/zinc/43/61/30/557436130.db2.gz UWBMUORHGXIMDY-PKTZIBPZSA-N 1 2 448.596 2.880 40 0 IFABLO Oc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000223153185 557439468 /nfs/dbraw/zinc/43/94/68/557439468.db2.gz OBINZYBLDJTVCZ-DHIUTWEWSA-N 1 2 449.580 2.883 40 0 IFABLO C[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1)c1ccc2c(c1)CCC2 ZINC000223232394 557449048 /nfs/dbraw/zinc/44/90/48/557449048.db2.gz XNAVKLHKCSXIQP-GOSISDBHSA-N 1 2 441.597 2.744 40 0 IFABLO CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223407331 557467900 /nfs/dbraw/zinc/46/79/00/557467900.db2.gz VKLGXUFKYIZFGZ-QFIPXVFZSA-N 1 2 429.948 2.878 40 0 IFABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1 ZINC000019222128 557498090 /nfs/dbraw/zinc/49/80/90/557498090.db2.gz RPMUOPVZXXOQIZ-UHFFFAOYSA-N 1 2 434.540 2.881 40 0 IFABLO C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223889738 557525521 /nfs/dbraw/zinc/52/55/21/557525521.db2.gz LFLXCAZFDPLYPE-AWEZNQCLSA-N 1 2 434.468 2.621 40 0 IFABLO CC(C)[NH+]1CCN(C(=O)C[C@@H]2CCCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C2)CC1 ZINC000257206332 568667952 /nfs/dbraw/zinc/66/79/52/568667952.db2.gz BCXCWSMBFBYRFO-SFHVURJKSA-N 1 2 443.567 2.816 40 0 IFABLO Cc1cc(C(=O)N2CC[C@@H](c3n[nH]cc3-c3cc[nH+]c(N)c3)C2)nc(N2CCCCC2)n1 ZINC000257237942 568682822 /nfs/dbraw/zinc/68/28/22/568682822.db2.gz HIXJCJUCHYJPOL-QGZVFWFLSA-N 1 2 432.532 2.772 40 0 IFABLO COc1cc(C)c(C)cc1S(=O)(=O)N1CC[C@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000257260816 568693676 /nfs/dbraw/zinc/69/36/76/568693676.db2.gz LENDMXUJAXXJCP-KRWDZBQOSA-N 1 2 439.541 2.924 40 0 IFABLO CN(C(=O)c1cccc(N2CCCCS2(=O)=O)c1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257290945 568707124 /nfs/dbraw/zinc/70/71/24/568707124.db2.gz QFABRNOAJZHGER-FQEVSTJZSA-N 1 2 428.558 2.753 40 0 IFABLO Cc1nonc1CN(C)C(=O)[C@]1(C)CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000257316508 568718311 /nfs/dbraw/zinc/71/83/11/568718311.db2.gz VFXDTZRQACERGJ-HSZRJFAPSA-N 1 2 436.516 2.524 40 0 IFABLO CNc1nc([C@@H]2CCN(C(=O)COc3cc(C)nc4ccccc43)C2)nc2c1C[N@H+](C)CC2 ZINC000257316786 568718693 /nfs/dbraw/zinc/71/86/93/568718693.db2.gz VGZIQQHGBJDOIR-QGZVFWFLSA-N 1 2 446.555 2.758 40 0 IFABLO CNc1nc([C@@H]2CCN(C(=O)COc3cc(C)nc4ccccc43)C2)nc2c1C[N@@H+](C)CC2 ZINC000257316786 568718696 /nfs/dbraw/zinc/71/86/96/568718696.db2.gz VGZIQQHGBJDOIR-QGZVFWFLSA-N 1 2 446.555 2.758 40 0 IFABLO COc1cc(C[N@@H+]2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)ccc1OCC(N)=O ZINC000257327641 568723227 /nfs/dbraw/zinc/72/32/27/568723227.db2.gz XCDWIABZIIBIEG-QFIPXVFZSA-N 1 2 449.511 2.666 40 0 IFABLO COc1cc(C[N@H+]2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)ccc1OCC(N)=O ZINC000257327641 568723228 /nfs/dbraw/zinc/72/32/28/568723228.db2.gz XCDWIABZIIBIEG-QFIPXVFZSA-N 1 2 449.511 2.666 40 0 IFABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1C[C@@H](O)[C@H](n2ccc3cc(C(N)=O)ccc32)C1 ZINC000257334136 568725988 /nfs/dbraw/zinc/72/59/88/568725988.db2.gz YERPDKLKZILMLS-DHIUTWEWSA-N 1 2 445.523 2.623 40 0 IFABLO Cc1ccccc1CNc1cc(-c2c[nH]nc2[C@H]2CCN(S(=O)(=O)N(C)C)C2)cc[nH+]1 ZINC000257344968 568730912 /nfs/dbraw/zinc/73/09/12/568730912.db2.gz ZZKLBRLMPJKWJY-IBGZPJMESA-N 1 2 440.573 2.988 40 0 IFABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000261364340 568733483 /nfs/dbraw/zinc/73/34/83/568733483.db2.gz KWKMTKOIJQCAKV-FQEVSTJZSA-O 1 2 437.501 2.949 40 0 IFABLO Cc1cc(C(=O)N2C[C@H](c3cn(C(C)C)c[nH+]3)[C@@]3(CCN(Cc4ccncc4)C3=O)C2)no1 ZINC000306130647 568766109 /nfs/dbraw/zinc/76/61/09/568766109.db2.gz JMEMYDLXNVQWOS-NTKDMRAZSA-N 1 2 448.527 2.814 40 0 IFABLO C[C@@H](CO)Nc1nc(NCCc2ccncc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329023920 568809640 /nfs/dbraw/zinc/80/96/40/568809640.db2.gz OWJFBMHOOHWDRU-AWEZNQCLSA-N 1 2 433.434 2.728 40 0 IFABLO OCCCNc1nc(NCCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329067369 568810945 /nfs/dbraw/zinc/81/09/45/568810945.db2.gz YIJFLIVFSRRLIF-UHFFFAOYSA-N 1 2 433.434 2.730 40 0 IFABLO COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000000890416 568858905 /nfs/dbraw/zinc/85/89/05/568858905.db2.gz SUAOACBKXJPNLK-RRMPHLOHSA-N 1 2 438.532 2.524 40 0 IFABLO COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000000890416 568858907 /nfs/dbraw/zinc/85/89/07/568858907.db2.gz SUAOACBKXJPNLK-RRMPHLOHSA-N 1 2 438.532 2.524 40 0 IFABLO COC(=O)[C@]1(CCSC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000231643077 569185961 /nfs/dbraw/zinc/18/59/61/569185961.db2.gz FXGOZSQZXFQEMS-BZLDKRAPSA-N 1 2 430.551 2.863 40 0 IFABLO COc1ccc([C@H]2NC3=[NH+]CN(C[C@H]4CCCO4)CN3c3nc4ccccc4n32)c(OC)c1 ZINC000253569543 569208879 /nfs/dbraw/zinc/20/88/79/569208879.db2.gz MLCZYSQSTFIVEQ-VGSWGCGISA-N 1 2 448.527 2.776 40 0 IFABLO COc1ccc([C@@H]2NC3=[NH+]CN(C[C@H]4CCCO4)CN3c3nc4ccccc4n32)c(OC)c1 ZINC000253569542 569208887 /nfs/dbraw/zinc/20/88/87/569208887.db2.gz MLCZYSQSTFIVEQ-VGOFRKELSA-N 1 2 448.527 2.776 40 0 IFABLO COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000253616920 569209252 /nfs/dbraw/zinc/20/92/52/569209252.db2.gz SUAOACBKXJPNLK-UQASEVPWSA-N 1 2 438.532 2.936 40 0 IFABLO COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000253616920 569209253 /nfs/dbraw/zinc/20/92/53/569209253.db2.gz SUAOACBKXJPNLK-UQASEVPWSA-N 1 2 438.532 2.936 40 0 IFABLO O=C(NCC[NH+]1CCOCC1)c1ccccc1NC(=O)c1ccccc1Br ZINC000015373181 569225366 /nfs/dbraw/zinc/22/53/66/569225366.db2.gz IOXHZRNYMBSGNO-UHFFFAOYSA-N 1 2 432.318 2.763 40 0 IFABLO NC(=O)c1cccc(-c2ccc([C@H]3CN(C(=O)C[NH+]4Cc5ccccc5C4)CCO3)nc2)c1 ZINC000019692461 569228025 /nfs/dbraw/zinc/22/80/25/569228025.db2.gz ILAGTHOXNNFOKI-XMMPIXPASA-N 1 2 442.519 2.763 40 0 IFABLO O=C(CC[N@@H+]1CCO[C@H](c2ccc(Cc3ccccc3Cl)cn2)C1)N1CCOCC1 ZINC000019692880 569228280 /nfs/dbraw/zinc/22/82/80/569228280.db2.gz LSNOGUVUNSTFMS-QFIPXVFZSA-N 1 2 429.948 2.948 40 0 IFABLO O=C(CC[N@H+]1CCO[C@H](c2ccc(Cc3ccccc3Cl)cn2)C1)N1CCOCC1 ZINC000019692880 569228281 /nfs/dbraw/zinc/22/82/81/569228281.db2.gz LSNOGUVUNSTFMS-QFIPXVFZSA-N 1 2 429.948 2.948 40 0 IFABLO CNc1cc(CN(C)C(C)=O)nc(C2CC[NH+](CC(=O)Nc3cccc(F)c3C)CC2)n1 ZINC000019709690 569234809 /nfs/dbraw/zinc/23/48/09/569234809.db2.gz JGLODCMNCGBSNW-UHFFFAOYSA-N 1 2 442.539 2.762 40 0 IFABLO CC1=C[C@@H](CNC(=O)c2ccccn2)[C@H](C(C)C)C[C@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000030880002 291341991 /nfs/dbraw/zinc/34/19/91/291341991.db2.gz LKNXZPGZTVVXCC-FKBYEOEOSA-N 1 2 442.604 2.505 40 0 biogenic,in-vitro IFABLO Cn1cc[nH+]c1CN1C(=O)CO[C@H](c2ccc(NC(=O)Nc3ccccc3)cc2)[C@H]1CO ZINC000072321500 291348994 /nfs/dbraw/zinc/34/89/94/291348994.db2.gz WAKBBCINPLVYRJ-DENIHFKCSA-N 1 2 435.484 2.525 40 0 biogenic,in-vitro IFABLO CCOC(=O)[C@@]1(C)[NH2+][C@@H](c2sccc2C)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 ZINC000012635636 521177587 /nfs/dbraw/zinc/17/75/87/521177587.db2.gz GOVUQBBUCNXHLN-FSBGXSNOSA-N 1 2 428.510 2.837 40 0 IFABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000022524501 526649688 /nfs/dbraw/zinc/64/96/88/526649688.db2.gz BDTQCJJZRDQGSJ-KRWDZBQOSA-N 1 2 430.555 2.651 40 0 IFABLO O=C(C[NH+]1CCC(Nc2nc3c(c(=O)[nH]2)CCC3)CC1)Nc1ccccc1C(F)(F)F ZINC000012113684 526727790 /nfs/dbraw/zinc/72/77/90/526727790.db2.gz BGFQQRHLIZFBAW-UHFFFAOYSA-N 1 2 435.450 2.792 40 0 IFABLO O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1CC[NH+]1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000020512620 527119611 /nfs/dbraw/zinc/11/96/11/527119611.db2.gz IRMUKTVOJHDYFJ-YHELAOLJSA-N 1 2 434.565 2.739 40 0 IFABLO O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCCCn1cc[nH+]c1 ZINC000408594767 555961152 /nfs/dbraw/zinc/96/11/52/555961152.db2.gz PDUHUZKFGMFWBR-UHFFFAOYSA-N 1 2 440.569 2.543 40 0 IFABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)Cc2ccc(F)cc2)cc1 ZINC000408622572 555991378 /nfs/dbraw/zinc/99/13/78/555991378.db2.gz PFVNAJHGOCXFIM-UHFFFAOYSA-N 1 2 444.532 2.728 40 0 IFABLO COc1ccc(C)cc1N(CC(=O)NCCCn1cc[nH+]c1)S(=O)(=O)c1ccccc1 ZINC000408624786 555995373 /nfs/dbraw/zinc/99/53/73/555995373.db2.gz UMFLBBBWWGYJNC-UHFFFAOYSA-N 1 2 442.541 2.602 40 0 IFABLO Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NCCCn1cc[nH+]c1 ZINC000408674795 556066048 /nfs/dbraw/zinc/06/60/48/556066048.db2.gz CQODIHAJFUGNQE-UHFFFAOYSA-N 1 2 446.504 2.717 40 0 IFABLO COc1cc([C@@H]2NC(=O)CC[NH2+]2)cc(I)c1OCc1ccccc1 ZINC000408738824 556202736 /nfs/dbraw/zinc/20/27/36/556202736.db2.gz VYEZJAZOUKFYBE-SFHVURJKSA-N 1 2 438.265 2.987 40 0 IFABLO Cc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)cc1Cl ZINC000030856131 556510219 /nfs/dbraw/zinc/51/02/19/556510219.db2.gz IZBCNTFKIDTGTR-UHFFFAOYSA-N 1 2 432.933 2.917 40 0 IFABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000038756701 556618247 /nfs/dbraw/zinc/61/82/47/556618247.db2.gz SDWTWRWSNPMJOL-UHFFFAOYSA-N 1 2 438.553 2.731 40 0 IFABLO C[N@@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)NCc2ccccn2)C(=O)C1 ZINC000514287335 556623492 /nfs/dbraw/zinc/62/34/92/556623492.db2.gz LFDWXJIKCZDAGH-YGICRIAWSA-N 1 2 448.567 2.633 40 0 IFABLO C[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)NCc2ccccn2)C(=O)C1 ZINC000514287335 556623495 /nfs/dbraw/zinc/62/34/95/556623495.db2.gz LFDWXJIKCZDAGH-YGICRIAWSA-N 1 2 448.567 2.633 40 0 IFABLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000044903375 556678726 /nfs/dbraw/zinc/67/87/26/556678726.db2.gz YLJCXEZRCPVDSP-QGZVFWFLSA-N 1 2 430.555 2.651 40 0 IFABLO O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1)c1n[nH]c2ccccc21 ZINC000257226882 556708702 /nfs/dbraw/zinc/70/87/02/556708702.db2.gz FMPKZCULOUKFTB-JCYRPKCISA-N 1 2 448.567 2.866 40 0 IFABLO Cc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)NCc3ccco3)cc2c1 ZINC000000883314 556734251 /nfs/dbraw/zinc/73/42/51/556734251.db2.gz MDYOAQSXSRDVNT-UHFFFAOYSA-N 1 2 440.569 2.638 40 0 IFABLO O=C(C[N@@H+]1CCC[C@H](c2csnn2)C1)N1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000019368301 556746272 /nfs/dbraw/zinc/74/62/72/556746272.db2.gz YXXCFBMLZDUDKE-AWEZNQCLSA-N 1 2 426.521 2.832 40 0 IFABLO O=C(C[N@H+]1CCC[C@H](c2csnn2)C1)N1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000019368301 556746276 /nfs/dbraw/zinc/74/62/76/556746276.db2.gz YXXCFBMLZDUDKE-AWEZNQCLSA-N 1 2 426.521 2.832 40 0 IFABLO O=C(C[N@@H+]1CCC[C@]2(C1)CNC(=O)c1ccccc1O2)Nc1ccccc1OC(F)F ZINC000019374796 556751091 /nfs/dbraw/zinc/75/10/91/556751091.db2.gz XWZJWCSLBPLWRT-JOCHJYFZSA-N 1 2 431.439 2.884 40 0 IFABLO O=C(C[N@H+]1CCC[C@]2(C1)CNC(=O)c1ccccc1O2)Nc1ccccc1OC(F)F ZINC000019374796 556751095 /nfs/dbraw/zinc/75/10/95/556751095.db2.gz XWZJWCSLBPLWRT-JOCHJYFZSA-N 1 2 431.439 2.884 40 0 IFABLO Cc1cccc2cc(CN(CC[NH+]3CCOCC3)C(=S)NCc3ccco3)c(=O)[nH]c12 ZINC000001224314 556769480 /nfs/dbraw/zinc/76/94/80/556769480.db2.gz GCZOJUXPDYYDSY-UHFFFAOYSA-N 1 2 440.569 2.638 40 0 IFABLO C[C@@H]1CN(c2nccc(C[NH+]3CCC(c4nnc(-c5cccnc5)[nH]4)CC3)n2)C[C@H](C)O1 ZINC000019497686 556770251 /nfs/dbraw/zinc/77/02/51/556770251.db2.gz LOOUJUZVQXJWHC-CALCHBBNSA-N 1 2 434.548 2.650 40 0 IFABLO COc1ccc(CN2CCC[C@H](c3nnsc3S(C)(=O)=O)C2)cc1Cn1cc[nH+]c1 ZINC000019559486 556801257 /nfs/dbraw/zinc/80/12/57/556801257.db2.gz ISOKPTDATBDZAS-INIZCTEOSA-N 1 2 447.586 2.575 40 0 IFABLO COc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000006282929 556831360 /nfs/dbraw/zinc/83/13/60/556831360.db2.gz CIHJLLWHVWHXIY-OAQYLSRUSA-N 1 2 434.475 2.896 40 0 IFABLO COc1cccc(NC(=O)NC2CC[NH+](Cc3nnnn3Cc3ccc(F)cc3)CC2)c1 ZINC000006552140 556837489 /nfs/dbraw/zinc/83/74/89/556837489.db2.gz ZQXQOFISQNXAPJ-UHFFFAOYSA-N 1 2 439.495 2.655 40 0 IFABLO COCCNC(=O)c1sc2ccccc2c1[C@@H]1C[N@H+](Cc2cn(C)nc2C)CCO1 ZINC000019697676 556855338 /nfs/dbraw/zinc/85/53/38/556855338.db2.gz RARQVNKIUOYHDX-SFHVURJKSA-N 1 2 428.558 2.893 40 0 IFABLO COCCNC(=O)c1sc2ccccc2c1[C@@H]1C[N@@H+](Cc2cn(C)nc2C)CCO1 ZINC000019697676 556855340 /nfs/dbraw/zinc/85/53/40/556855340.db2.gz RARQVNKIUOYHDX-SFHVURJKSA-N 1 2 428.558 2.893 40 0 IFABLO CCCCc1nc(C[N@@H+]2C[C@@H](C(=O)NC(C)(C)C)[C@]3(C2)Cc2ccccc2C(=O)N3)c[nH]1 ZINC000072334514 556907221 /nfs/dbraw/zinc/90/72/21/556907221.db2.gz WRCOREYROZDWNF-NBGIEHNGSA-N 1 2 437.588 2.824 40 0 IFABLO CCCCc1nc(C[N@H+]2C[C@@H](C(=O)NC(C)(C)C)[C@]3(C2)Cc2ccccc2C(=O)N3)c[nH]1 ZINC000072334514 556907223 /nfs/dbraw/zinc/90/72/23/556907223.db2.gz WRCOREYROZDWNF-NBGIEHNGSA-N 1 2 437.588 2.824 40 0 IFABLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccccc2OCCN2CCCC2=O)ncc1C(N)=O ZINC000019764497 556908967 /nfs/dbraw/zinc/90/89/67/556908967.db2.gz ZFCVRONHEMBZTH-FQEVSTJZSA-N 1 2 437.544 2.612 40 0 IFABLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccccc2OCCN2CCCC2=O)ncc1C(N)=O ZINC000019764497 556908970 /nfs/dbraw/zinc/90/89/70/556908970.db2.gz ZFCVRONHEMBZTH-FQEVSTJZSA-N 1 2 437.544 2.612 40 0 IFABLO Cc1ncc(C(=O)NCc2ccc(F)cc2)c([C@@H]2CCCC[N@@H+]2CC(=O)N2CCC2)n1 ZINC000019767057 556912220 /nfs/dbraw/zinc/91/22/20/556912220.db2.gz NGMNEPLGMXWKSA-FQEVSTJZSA-N 1 2 425.508 2.613 40 0 IFABLO Cc1ncc(C(=O)NCc2ccc(F)cc2)c([C@@H]2CCCC[N@H+]2CC(=O)N2CCC2)n1 ZINC000019767057 556912225 /nfs/dbraw/zinc/91/22/25/556912225.db2.gz NGMNEPLGMXWKSA-FQEVSTJZSA-N 1 2 425.508 2.613 40 0 IFABLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1C[N@H+](Cc1cc(COC)ccc1OC)CC2 ZINC000072372378 556942452 /nfs/dbraw/zinc/94/24/52/556942452.db2.gz GVMIJVOEOHNNLB-OAQYLSRUSA-N 1 2 439.560 2.915 40 0 IFABLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1C[N@@H+](Cc1cc(COC)ccc1OC)CC2 ZINC000072372378 556942455 /nfs/dbraw/zinc/94/24/55/556942455.db2.gz GVMIJVOEOHNNLB-OAQYLSRUSA-N 1 2 439.560 2.915 40 0 IFABLO CCOC(=O)CN1CC[NH+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023478680 557094079 /nfs/dbraw/zinc/09/40/79/557094079.db2.gz NHVFSUCUTDFZHA-HSZRJFAPSA-N 1 2 429.948 2.726 40 0 IFABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006148967 557146444 /nfs/dbraw/zinc/14/64/44/557146444.db2.gz OZECXOVGFVIECL-GHTZIAJQSA-N 1 2 438.532 2.524 40 0 IFABLO CC[N@@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000096144973 557174015 /nfs/dbraw/zinc/17/40/15/557174015.db2.gz OWOHAOIVXQKIHD-UHFFFAOYSA-N 1 2 434.544 2.759 40 0 IFABLO CC[N@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000096144973 557174019 /nfs/dbraw/zinc/17/40/19/557174019.db2.gz OWOHAOIVXQKIHD-UHFFFAOYSA-N 1 2 434.544 2.759 40 0 IFABLO O=C(NCC[NH+]1CCOCC1)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn32)n1 ZINC000096155420 557179810 /nfs/dbraw/zinc/17/98/10/557179810.db2.gz HAAKTZIJICZMFN-UHFFFAOYSA-N 1 2 433.487 2.993 40 0 IFABLO O=C(Cc1ccccc1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251419 557188662 /nfs/dbraw/zinc/18/86/62/557188662.db2.gz JBNRVXIKCLQCJV-NVQXNPDNSA-N 1 2 432.568 2.896 40 0 IFABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4ccc(C)cc4)CCOCC3)CC[N@@H+]2C)c1 ZINC000585261875 557197267 /nfs/dbraw/zinc/19/72/67/557197267.db2.gz GRXSNPYGEPGVQY-QHCPKHFHSA-N 1 2 435.568 2.918 40 0 IFABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4ccc(C)cc4)CCOCC3)CC[N@H+]2C)c1 ZINC000585261875 557197270 /nfs/dbraw/zinc/19/72/70/557197270.db2.gz GRXSNPYGEPGVQY-QHCPKHFHSA-N 1 2 435.568 2.918 40 0 IFABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(O)CC3)c(=O)[nH]c2c1C ZINC000057589659 557249896 /nfs/dbraw/zinc/24/98/96/557249896.db2.gz XQZTVKRSVGRUOF-QHCPKHFHSA-N 1 2 444.539 2.726 40 0 IFABLO O=C(C1CC1)N1CCc2nc3cc(C4CC[NH+](Cc5ccccn5)CC4)[nH]n3c(=O)c2C1 ZINC000100232607 557249964 /nfs/dbraw/zinc/24/99/64/557249964.db2.gz KLHNPCQSWJJAGT-UHFFFAOYSA-N 1 2 432.528 2.504 40 0 IFABLO O=C(C1CC1)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](Cc2ccncc2)CC4)C1 ZINC000100233651 557250610 /nfs/dbraw/zinc/25/06/10/557250610.db2.gz KABCDEAAUUJDFP-GOSISDBHSA-N 1 2 432.528 2.504 40 0 IFABLO O=C(C1CC1)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](Cc2ccncc2)CC4)C1 ZINC000100233651 557250613 /nfs/dbraw/zinc/25/06/13/557250613.db2.gz KABCDEAAUUJDFP-GOSISDBHSA-N 1 2 432.528 2.504 40 0 IFABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(O)CC3)cc2c1 ZINC000057594881 557254133 /nfs/dbraw/zinc/25/41/33/557254133.db2.gz NCQFXNSMNLQZJN-NRFANRHFSA-N 1 2 438.532 2.575 40 0 IFABLO Cc1ccc2cc(C[N@H+](CCCO)Cc3nnnn3CCc3ccccc3)c(=O)[nH]c2c1C ZINC000057640323 557255948 /nfs/dbraw/zinc/25/59/48/557255948.db2.gz MXRKGCOSVKVSAK-UHFFFAOYSA-N 1 2 446.555 2.759 40 0 IFABLO Cc1ccc2cc(C[N@@H+](CCCO)Cc3nnnn3CCc3ccccc3)c(=O)[nH]c2c1C ZINC000057640323 557255952 /nfs/dbraw/zinc/25/59/52/557255952.db2.gz MXRKGCOSVKVSAK-UHFFFAOYSA-N 1 2 446.555 2.759 40 0 IFABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495988 557326023 /nfs/dbraw/zinc/32/60/23/557326023.db2.gz PRAUIDBIGSMLSR-FQEVSTJZSA-N 1 2 436.516 2.800 40 0 IFABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495988 557326026 /nfs/dbraw/zinc/32/60/26/557326026.db2.gz PRAUIDBIGSMLSR-FQEVSTJZSA-N 1 2 436.516 2.800 40 0 IFABLO COC(=O)C1C(C[NH2+]Cc2ccc(Cl)cc2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566248 557344144 /nfs/dbraw/zinc/34/41/44/557344144.db2.gz DFJFGBMRFCNVAM-HXUWFJFHSA-N 1 2 445.903 2.928 40 0 IFABLO CCS(=O)(=O)N(C)c1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000014401294 557442848 /nfs/dbraw/zinc/44/28/48/557442848.db2.gz UXNUMKHGXBAGOA-JXMROGBWSA-N 1 2 427.570 2.944 40 0 IFABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)CC1 ZINC000026119047 557449938 /nfs/dbraw/zinc/44/99/38/557449938.db2.gz QHEYHVAQOCSGTJ-UHFFFAOYSA-N 1 2 425.620 2.607 40 0 IFABLO CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223479190 557476787 /nfs/dbraw/zinc/47/67/87/557476787.db2.gz DNEWXRZUIOTBBV-HSZRJFAPSA-N 1 2 427.520 2.754 40 0 IFABLO CCCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000019824495 557508554 /nfs/dbraw/zinc/50/85/54/557508554.db2.gz YXAKAZNBALTFSA-UHFFFAOYSA-N 1 2 446.617 2.736 40 0 IFABLO CSc1ncc(-c2nnsc2C(=O)OCCNc2cc(C)[nH+]c(SC)n2)cn1 ZINC000223857518 557521595 /nfs/dbraw/zinc/52/15/95/557521595.db2.gz HDSALMNBHDZNHO-UHFFFAOYSA-N 1 2 435.560 2.806 40 0 IFABLO COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000224350964 557596561 /nfs/dbraw/zinc/59/65/61/557596561.db2.gz DEEATIMQMQDEAC-UHFFFAOYSA-N 1 2 437.949 2.561 40 0 IFABLO CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000225259348 557706183 /nfs/dbraw/zinc/70/61/83/557706183.db2.gz XHWDHTNUOYAWBZ-OAQYLSRUSA-N 1 2 442.541 2.742 40 0 IFABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1CCOC)c1cc2cc(OC)ccc2[nH]c1=O ZINC000020083766 568624647 /nfs/dbraw/zinc/62/46/47/568624647.db2.gz FGNFPNMACDNWRA-JOCHJYFZSA-N 1 2 448.527 2.781 40 0 IFABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1CCOC)c1cc2cc(OC)ccc2[nH]c1=O ZINC000020083766 568624650 /nfs/dbraw/zinc/62/46/50/568624650.db2.gz FGNFPNMACDNWRA-JOCHJYFZSA-N 1 2 448.527 2.781 40 0 IFABLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1ccc(N3CCCC3=O)cc1)CC2 ZINC000257232896 568680424 /nfs/dbraw/zinc/68/04/24/568680424.db2.gz GMXMDEJZAXCPHQ-IBGZPJMESA-N 1 2 448.571 2.539 40 0 IFABLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1ccc(N3CCCC3=O)cc1)CC2 ZINC000257232896 568680425 /nfs/dbraw/zinc/68/04/25/568680425.db2.gz GMXMDEJZAXCPHQ-IBGZPJMESA-N 1 2 448.571 2.539 40 0 IFABLO Cc1ccc(S(=O)(=O)CCC(=O)N2CC[C@H](c3n[nH]cc3-c3cc[nH+]c(N)c3)C2)cc1 ZINC000257246267 568686609 /nfs/dbraw/zinc/68/66/09/568686609.db2.gz ITJJBMGQVPNNJR-KRWDZBQOSA-N 1 2 439.541 2.542 40 0 IFABLO Cc1cc(Nc2nncs2)cc([C@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)[nH+]1 ZINC000257340573 568728781 /nfs/dbraw/zinc/72/87/81/568728781.db2.gz ZGSSQTGMKBIXIH-LJQANCHMSA-N 1 2 439.497 2.970 40 0 IFABLO O=C(c1ccco1)N1CCN(CC2CC2)[C@H](c2cn3c(cccc3N3CCOCC3)[nH+]2)C1 ZINC000306123348 568762547 /nfs/dbraw/zinc/76/25/47/568762547.db2.gz AKQBJVCISXERAP-FQEVSTJZSA-N 1 2 435.528 2.673 40 0 IFABLO c1csc(CN2CC[N@@H+](CC3CC3)[C@H](c3cn4c(cccc4N4CCOCC4)n3)C2)n1 ZINC000306123486 568762824 /nfs/dbraw/zinc/76/28/24/568762824.db2.gz AORHTJPPBILYFM-FQEVSTJZSA-N 1 2 438.601 2.896 40 0 IFABLO c1csc(CN2CC[N@H+](CC3CC3)[C@H](c3cn4c(cccc4N4CCOCC4)n3)C2)n1 ZINC000306123486 568762825 /nfs/dbraw/zinc/76/28/25/568762825.db2.gz AORHTJPPBILYFM-FQEVSTJZSA-N 1 2 438.601 2.896 40 0 IFABLO Cc1cc(C(=O)N2C[C@H](c3cn(C(C)C)c[nH+]3)[C@]3(CCN(Cc4ccncc4)C3=O)C2)no1 ZINC000306130646 568766246 /nfs/dbraw/zinc/76/62/46/568766246.db2.gz JMEMYDLXNVQWOS-DVECYGJZSA-N 1 2 448.527 2.814 40 0 IFABLO Cc1ccsc1C[N@@H+]1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@H]2C1 ZINC000306134985 568768714 /nfs/dbraw/zinc/76/87/14/568768714.db2.gz ODVUTSNMTANRNH-ZWKOTPCHSA-N 1 2 442.566 2.683 40 0 IFABLO Cc1ccsc1C[N@H+]1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@H]2C1 ZINC000306134985 568768715 /nfs/dbraw/zinc/76/87/15/568768715.db2.gz ODVUTSNMTANRNH-ZWKOTPCHSA-N 1 2 442.566 2.683 40 0 IFABLO Cc1cccc(C[N@@H+]2C[C@@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccn4)[C@H]3C2)c1 ZINC000306143252 568773213 /nfs/dbraw/zinc/77/32/13/568773213.db2.gz XXCLNCGGWFMQGK-SFTDATJTSA-N 1 2 436.537 2.621 40 0 IFABLO Cc1cccc(C[N@H+]2C[C@@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccn4)[C@H]3C2)c1 ZINC000306143252 568773214 /nfs/dbraw/zinc/77/32/14/568773214.db2.gz XXCLNCGGWFMQGK-SFTDATJTSA-N 1 2 436.537 2.621 40 0 IFABLO O=S1(=O)c2ccccc2O[C@@]2(CC[N@H+](Cc3cccnc3)C2)CN1Cc1ccccn1 ZINC000306145127 568774218 /nfs/dbraw/zinc/77/42/18/568774218.db2.gz ZZAPPYLXEBGOSY-HSZRJFAPSA-N 1 2 436.537 2.705 40 0 IFABLO O=S1(=O)c2ccccc2O[C@@]2(CC[N@@H+](Cc3cccnc3)C2)CN1Cc1ccccn1 ZINC000306145127 568774219 /nfs/dbraw/zinc/77/42/19/568774219.db2.gz ZZAPPYLXEBGOSY-HSZRJFAPSA-N 1 2 436.537 2.705 40 0 IFABLO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCO[C@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019703195 569232802 /nfs/dbraw/zinc/23/28/02/569232802.db2.gz CPZLJKKMXISKRM-INIZCTEOSA-N 1 2 443.573 2.613 40 0 IFABLO CC(C)(C)c1n[nH]cc1C[N@H+]1CCO[C@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019703195 569232803 /nfs/dbraw/zinc/23/28/03/569232803.db2.gz CPZLJKKMXISKRM-INIZCTEOSA-N 1 2 443.573 2.613 40 0 IFABLO O=C1N(CCc2ccccc2)CC=CC[C@@]12C[N@H+](Cc1ccnc(N3CCCC3)n1)CCO2 ZINC000019704487 569233447 /nfs/dbraw/zinc/23/34/47/569233447.db2.gz WIUVPTWYXVMTIM-AREMUKBSSA-N 1 2 447.583 2.679 40 0 IFABLO O=C1N(CCc2ccccc2)CC=CC[C@@]12C[N@@H+](Cc1ccnc(N3CCCC3)n1)CCO2 ZINC000019704487 569233448 /nfs/dbraw/zinc/23/34/48/569233448.db2.gz WIUVPTWYXVMTIM-AREMUKBSSA-N 1 2 447.583 2.679 40 0 IFABLO COc1cccc(OC)c1C[N@@H+]1CCO[C@H](c2ccnc3c(Cn4cccn4)c(C)nn32)C1 ZINC000019707770 569234632 /nfs/dbraw/zinc/23/46/32/569234632.db2.gz XLAVCQLEOXGSJI-QHCPKHFHSA-N 1 2 448.527 2.873 40 0 IFABLO COc1cccc(OC)c1C[N@H+]1CCO[C@H](c2ccnc3c(Cn4cccn4)c(C)nn32)C1 ZINC000019707770 569234633 /nfs/dbraw/zinc/23/46/33/569234633.db2.gz XLAVCQLEOXGSJI-QHCPKHFHSA-N 1 2 448.527 2.873 40 0 IFABLO O=C(C1CCOCC1)N1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225475393 291349440 /nfs/dbraw/zinc/34/94/40/291349440.db2.gz ACDWVLNWMKVBSL-UHFFFAOYSA-N 1 2 441.597 2.938 40 0 biogenic,in-vitro IFABLO O=C(C1CCOCC1)N1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225475393 291349445 /nfs/dbraw/zinc/34/94/45/291349445.db2.gz ACDWVLNWMKVBSL-UHFFFAOYSA-N 1 2 441.597 2.938 40 0 biogenic,in-vitro IFABLO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)OCC)CC3)C2=O)cc1 ZINC000020798974 520720493 /nfs/dbraw/zinc/72/04/93/520720493.db2.gz RBIKYVHKKVUQHQ-LJQANCHMSA-N 1 2 430.501 2.551 40 0 IFABLO COC(=O)[C@@]1(CCSC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000012497190 523838598 /nfs/dbraw/zinc/83/85/98/523838598.db2.gz FXGOZSQZXFQEMS-DLRJPAPCSA-N 1 2 430.551 2.863 40 0 IFABLO Cc1cc(OCC[NH+]2CCOCC2)c(C)c2c1CC[C@@H]([C@H](C)C(=O)N1CCOCC1)C2 ZINC000020504641 525372361 /nfs/dbraw/zinc/37/23/61/525372361.db2.gz MURWICCYIKIFFU-PZJWPPBQSA-N 1 2 430.589 2.614 40 0 biogenic,in-vitro IFABLO O=C(NCCCn1cc[nH+]c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000408591123 555951148 /nfs/dbraw/zinc/95/11/48/555951148.db2.gz IWQFDQNEAMTMSQ-HXUWFJFHSA-N 1 2 446.960 2.633 40 0 IFABLO CCNS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000408593648 555959496 /nfs/dbraw/zinc/95/94/96/555959496.db2.gz MYVJSXUXTOYAEZ-RMKNXTFCSA-N 1 2 441.597 2.775 40 0 IFABLO CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H]([C@@]2(O)C(=O)Nc3ccccc32)C1=O ZINC000005493138 556056604 /nfs/dbraw/zinc/05/66/04/556056604.db2.gz FYWMZXAKXGNCRK-SPTHLGFZSA-N 1 2 436.508 2.668 40 0 IFABLO CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H]([C@@]2(O)C(=O)Nc3ccccc32)C1=O ZINC000005493138 556056608 /nfs/dbraw/zinc/05/66/08/556056608.db2.gz FYWMZXAKXGNCRK-SPTHLGFZSA-N 1 2 436.508 2.668 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000014867826 556451838 /nfs/dbraw/zinc/45/18/38/556451838.db2.gz FFXFLXLLXAYZOX-UHFFFAOYSA-N 1 2 445.566 2.577 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Br)c3)c2)CC1 ZINC000016028384 556576804 /nfs/dbraw/zinc/57/68/04/556576804.db2.gz OISARVJFPKIHDA-UHFFFAOYSA-N 1 2 438.347 2.638 40 0 IFABLO COc1ccc([C@H]2CN(C(=O)c3ccccc3C[NH+]3CCOCC3)CCN2C(C)=O)cc1 ZINC000257231156 556708982 /nfs/dbraw/zinc/70/89/82/556708982.db2.gz GFOMTSRJPNSWFX-XMMPIXPASA-N 1 2 437.540 2.573 40 0 IFABLO O=C(CCn1cc[nH+]c1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)c1cccnc1 ZINC000019337797 556739062 /nfs/dbraw/zinc/73/90/62/556739062.db2.gz HDEGGAAPGLXAMZ-DNVJHFABSA-N 1 2 447.514 2.964 40 0 IFABLO O=C(C[N@@H+]1CCc2[nH]nc(-c3ccccc3F)c2C1)N1CCC[C@H](c2csnn2)C1 ZINC000019368306 556746375 /nfs/dbraw/zinc/74/63/75/556746375.db2.gz UWEGHCHHJMKLLL-AWEZNQCLSA-N 1 2 426.521 2.832 40 0 IFABLO O=C(C[N@H+]1CCc2[nH]nc(-c3ccccc3F)c2C1)N1CCC[C@H](c2csnn2)C1 ZINC000019368306 556746380 /nfs/dbraw/zinc/74/63/80/556746380.db2.gz UWEGHCHHJMKLLL-AWEZNQCLSA-N 1 2 426.521 2.832 40 0 IFABLO CCC(CC)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)CCOC)CC4)[nH]n3c(=O)c2C1 ZINC000019500291 556772264 /nfs/dbraw/zinc/77/22/64/556772264.db2.gz ZYOBVGJOKLDYKB-UHFFFAOYSA-N 1 2 429.565 2.724 40 0 IFABLO CCC(CC)[N@H+]1CCc2nc3cc(C4CCN(C(=O)CCOC)CC4)[nH]n3c(=O)c2C1 ZINC000019500291 556772266 /nfs/dbraw/zinc/77/22/66/556772266.db2.gz ZYOBVGJOKLDYKB-UHFFFAOYSA-N 1 2 429.565 2.724 40 0 IFABLO COc1ccc(OC)c(C[N@@H+](Cc2ccnc(N3CCOCC3)n2)C[C@@H]2CCCO2)c1 ZINC000019551398 556795611 /nfs/dbraw/zinc/79/56/11/556795611.db2.gz DYXCRZGQKBJVEV-NRFANRHFSA-N 1 2 428.533 2.512 40 0 IFABLO COc1ccc(OC)c(C[N@H+](Cc2ccnc(N3CCOCC3)n2)C[C@@H]2CCCO2)c1 ZINC000019551398 556795615 /nfs/dbraw/zinc/79/56/15/556795615.db2.gz DYXCRZGQKBJVEV-NRFANRHFSA-N 1 2 428.533 2.512 40 0 IFABLO COc1ccc(Cn2nnnc2C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccncc3)C2)cc1 ZINC000019556185 556799060 /nfs/dbraw/zinc/79/90/60/556799060.db2.gz VXNWZPRMBMOFJZ-IBGZPJMESA-N 1 2 430.516 2.895 40 0 IFABLO COc1ccc(Cn2nnnc2C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccncc3)C2)cc1 ZINC000019556185 556799061 /nfs/dbraw/zinc/79/90/61/556799061.db2.gz VXNWZPRMBMOFJZ-IBGZPJMESA-N 1 2 430.516 2.895 40 0 IFABLO COc1ccc(CN2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)cc1Cn1cc[nH+]c1 ZINC000019559483 556801245 /nfs/dbraw/zinc/80/12/45/556801245.db2.gz ISOKPTDATBDZAS-MRXNPFEDSA-N 1 2 447.586 2.575 40 0 IFABLO Cc1c2ccccc2[nH]c1C[NH+]1CCN(S(=O)(=O)c2c[nH]nc2-c2ccncc2)CC1 ZINC000019565912 556806428 /nfs/dbraw/zinc/80/64/28/556806428.db2.gz QLFCYJUKMHLMPO-UHFFFAOYSA-N 1 2 436.541 2.768 40 0 IFABLO COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)c1 ZINC000019566265 556806877 /nfs/dbraw/zinc/80/68/77/556806877.db2.gz CWKJQUGFNZXJJN-DNVJHFABSA-N 1 2 436.556 2.925 40 0 IFABLO Cc1noc(C)c1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)CC1 ZINC000019579877 556817806 /nfs/dbraw/zinc/81/78/06/556817806.db2.gz MDJGFTVYRGSNBS-UHFFFAOYSA-N 1 2 438.532 2.826 40 0 IFABLO Cc1noc(C)c1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)CC1 ZINC000019579877 556817808 /nfs/dbraw/zinc/81/78/08/556817808.db2.gz MDJGFTVYRGSNBS-UHFFFAOYSA-N 1 2 438.532 2.826 40 0 IFABLO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](O)c3c(C)n(C)c4ccccc43)CC2)cc1 ZINC000019581817 556819931 /nfs/dbraw/zinc/81/99/31/556819931.db2.gz ISLNJIOIWGQWEO-JOCHJYFZSA-N 1 2 443.569 2.535 40 0 IFABLO COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCCC3)c(=O)[nH]c2c1 ZINC000006282855 556831453 /nfs/dbraw/zinc/83/14/53/556831453.db2.gz GJAZGBSYZQTJIS-NQIIRXRSSA-N 1 2 438.532 2.668 40 0 IFABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)[NH+]1CCCCC1)OCCO3 ZINC000006445156 556833254 /nfs/dbraw/zinc/83/32/54/556833254.db2.gz MYAQNLDMOIUIGK-NRFANRHFSA-N 1 2 436.516 2.976 40 0 IFABLO CNc1nc(C2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)CC2)nc2c1C[N@H+](C)CC2 ZINC000019711416 556876054 /nfs/dbraw/zinc/87/60/54/556876054.db2.gz MBWOTNAKZZKNDX-HNNXBMFYSA-N 1 2 427.524 2.819 40 0 IFABLO CNc1nc(C2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)CC2)nc2c1C[N@@H+](C)CC2 ZINC000019711416 556876058 /nfs/dbraw/zinc/87/60/58/556876058.db2.gz MBWOTNAKZZKNDX-HNNXBMFYSA-N 1 2 427.524 2.819 40 0 IFABLO Cn1cc[nH+]c1[C@@H](NC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CC1 ZINC000019748781 556893195 /nfs/dbraw/zinc/89/31/95/556893195.db2.gz YNCOIAIGMSPKRP-FQEVSTJZSA-N 1 2 434.537 2.618 40 0 IFABLO COCCNC(=O)c1cc([C@@H]2C[N@H+](Cc3cnc(C)s3)CCO2)nc2ccccc21 ZINC000019762260 556906482 /nfs/dbraw/zinc/90/64/82/556906482.db2.gz DAYDDOILPXGUHV-NRFANRHFSA-N 1 2 426.542 2.949 40 0 IFABLO COCCNC(=O)c1cc([C@@H]2C[N@@H+](Cc3cnc(C)s3)CCO2)nc2ccccc21 ZINC000019762260 556906484 /nfs/dbraw/zinc/90/64/84/556906484.db2.gz DAYDDOILPXGUHV-NRFANRHFSA-N 1 2 426.542 2.949 40 0 IFABLO Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)C[NH+]3C[C@H](C)O[C@@H](C)C3)CC1)N2 ZINC000072337896 556910914 /nfs/dbraw/zinc/91/09/14/556910914.db2.gz NAKWIZULVAHWKL-UOVPBQLFSA-N 1 2 443.514 2.827 40 0 IFABLO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CC[N@H+](Cc1ccc(CN2CCOCC2)o1)C3 ZINC000072339371 556911812 /nfs/dbraw/zinc/91/18/12/556911812.db2.gz IDWASGSYFAATPT-UHFFFAOYSA-N 1 2 449.511 2.987 40 0 IFABLO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CC[N@@H+](Cc1ccc(CN2CCOCC2)o1)C3 ZINC000072339371 556911814 /nfs/dbraw/zinc/91/18/14/556911814.db2.gz IDWASGSYFAATPT-UHFFFAOYSA-N 1 2 449.511 2.987 40 0 IFABLO CC(C)c1nc2ccccc2c2nn(CC(=O)Nc3ccccc3-n3cc[nH+]c3)c(=O)n21 ZINC000072347038 556918055 /nfs/dbraw/zinc/91/80/55/556918055.db2.gz GWRVYTBNJJTOSL-UHFFFAOYSA-N 1 2 427.468 2.992 40 0 IFABLO Cc1ccc(C(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000409051730 556933203 /nfs/dbraw/zinc/93/32/03/556933203.db2.gz CFVNRVNBWIHQFP-UHFFFAOYSA-N 1 2 449.551 2.920 40 0 IFABLO O=C(c1ccccc1)N1CCC(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000409058101 556935169 /nfs/dbraw/zinc/93/51/69/556935169.db2.gz RFJRFBOXMIXCNC-UHFFFAOYSA-N 1 2 435.524 2.612 40 0 IFABLO Cc1cnccc1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)CC1 ZINC000072389792 556959948 /nfs/dbraw/zinc/95/99/48/556959948.db2.gz OFBFCLBSACZRGA-UHFFFAOYSA-N 1 2 434.544 2.925 40 0 IFABLO Cc1cnccc1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)CC1 ZINC000072389792 556959952 /nfs/dbraw/zinc/95/99/52/556959952.db2.gz OFBFCLBSACZRGA-UHFFFAOYSA-N 1 2 434.544 2.925 40 0 IFABLO C[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000020108474 556984232 /nfs/dbraw/zinc/98/42/32/556984232.db2.gz QFKVHULMWONRBS-HNNXBMFYSA-N 1 2 432.933 2.997 40 0 IFABLO CS(=O)(=O)N(CCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000216262991 557141596 /nfs/dbraw/zinc/14/15/96/557141596.db2.gz KUPGZBLGQJVGJP-UHFFFAOYSA-N 1 2 430.505 2.874 40 0 IFABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006148929 557145965 /nfs/dbraw/zinc/14/59/65/557145965.db2.gz OZECXOVGFVIECL-RXVVDRJESA-N 1 2 438.532 2.524 40 0 IFABLO Cc1ccc(N([C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)cc1C ZINC000216443617 557146310 /nfs/dbraw/zinc/14/63/10/557146310.db2.gz QBIHDBGWNGSPQW-GOSISDBHSA-N 1 2 426.542 2.960 40 0 IFABLO COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006283283 557150391 /nfs/dbraw/zinc/15/03/91/557150391.db2.gz SUAOACBKXJPNLK-XERREHJYSA-N 1 2 438.532 2.524 40 0 IFABLO COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006283283 557150394 /nfs/dbraw/zinc/15/03/94/557150394.db2.gz SUAOACBKXJPNLK-XERREHJYSA-N 1 2 438.532 2.524 40 0 IFABLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000209616194 557167975 /nfs/dbraw/zinc/16/79/75/557167975.db2.gz LMTKZMPIMPVEEZ-KRZKXXONSA-N 1 2 447.988 2.864 40 0 IFABLO CN(C)c1nc(N2CCOCC2)[nH+]c2c1CCN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000096254917 557189397 /nfs/dbraw/zinc/18/93/97/557189397.db2.gz OZUFMLPYYREEOG-UHFFFAOYSA-N 1 2 449.477 2.639 40 0 IFABLO CC[N@@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)Cc1ccc(OC)cc1)CC2 ZINC000096263302 557191137 /nfs/dbraw/zinc/19/11/37/557191137.db2.gz AQJXCATUBQWJHH-UHFFFAOYSA-N 1 2 448.571 2.688 40 0 IFABLO CC[N@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)Cc1ccc(OC)cc1)CC2 ZINC000096263302 557191143 /nfs/dbraw/zinc/19/11/43/557191143.db2.gz AQJXCATUBQWJHH-UHFFFAOYSA-N 1 2 448.571 2.688 40 0 IFABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(O)CC3)c(=O)[nH]c2c1 ZINC000057589634 557250067 /nfs/dbraw/zinc/25/00/67/557250067.db2.gz VSTSKESLFRLKNU-JOCHJYFZSA-N 1 2 448.502 2.557 40 0 IFABLO CC(C)C(=O)N1CCc2nc3cc([C@H]4CCC[N@H+](Cc5cccnc5)C4)[nH]n3c(=O)c2C1 ZINC000100233694 557251029 /nfs/dbraw/zinc/25/10/29/557251029.db2.gz UGAWOPFOBLDYJK-SFHVURJKSA-N 1 2 434.544 2.750 40 0 IFABLO CC(C)C(=O)N1CCc2nc3cc([C@H]4CCC[N@@H+](Cc5cccnc5)C4)[nH]n3c(=O)c2C1 ZINC000100233694 557251030 /nfs/dbraw/zinc/25/10/30/557251030.db2.gz UGAWOPFOBLDYJK-SFHVURJKSA-N 1 2 434.544 2.750 40 0 IFABLO CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCC[N@H+](Cc5cccnc5)C4)[nH]n3c(=O)c2C1 ZINC000100233692 557251086 /nfs/dbraw/zinc/25/10/86/557251086.db2.gz UGAWOPFOBLDYJK-GOSISDBHSA-N 1 2 434.544 2.750 40 0 IFABLO CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCC[N@@H+](Cc5cccnc5)C4)[nH]n3c(=O)c2C1 ZINC000100233692 557251088 /nfs/dbraw/zinc/25/10/88/557251088.db2.gz UGAWOPFOBLDYJK-GOSISDBHSA-N 1 2 434.544 2.750 40 0 IFABLO COC(=O)C1C(C[NH2+]Cc2ccc(Cl)cc2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000013566249 557344162 /nfs/dbraw/zinc/34/41/62/557344162.db2.gz DFJFGBMRFCNVAM-FQEVSTJZSA-N 1 2 445.903 2.928 40 0 IFABLO O=C(NCCCn1cc[nH+]c1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000013566287 557344231 /nfs/dbraw/zinc/34/42/31/557344231.db2.gz KBXGXUSPBIZUFL-UHFFFAOYSA-N 1 2 445.372 2.797 40 0 IFABLO CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223122177 557434637 /nfs/dbraw/zinc/43/46/37/557434637.db2.gz RWGFNVWPWHOFMM-HSZRJFAPSA-N 1 2 443.975 2.748 40 0 IFABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1CC[NH+]1CCOCC1 ZINC000223127177 557435413 /nfs/dbraw/zinc/43/54/13/557435413.db2.gz GDIBRPJGEYRSPR-YADHBBJMSA-N 1 2 434.569 2.572 40 0 IFABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1CC[NH+]1CCOCC1 ZINC000223126882 557435440 /nfs/dbraw/zinc/43/54/40/557435440.db2.gz APORXRLDGGUEEX-VXKWHMMOSA-N 1 2 434.569 2.572 40 0 IFABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1CCC[NH+]1CCOCC1 ZINC000223169373 557440983 /nfs/dbraw/zinc/44/09/83/557440983.db2.gz UECULOYVJGGBOU-XZOQPEGZSA-N 1 2 448.596 2.962 40 0 IFABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1CCC[NH+]1CCOCC1 ZINC000223169543 557441000 /nfs/dbraw/zinc/44/10/00/557441000.db2.gz UECULOYVJGGBOU-PKTZIBPZSA-N 1 2 448.596 2.962 40 0 IFABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 ZINC000223233390 557449189 /nfs/dbraw/zinc/44/91/89/557449189.db2.gz RXRRNYAFVGHYLF-GOSISDBHSA-N 1 2 441.597 2.911 40 0 IFABLO CS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1Cl ZINC000223322205 557459042 /nfs/dbraw/zinc/45/90/42/557459042.db2.gz PLSLWJSNFWSRMP-UHFFFAOYSA-N 1 2 432.933 2.604 40 0 IFABLO COC(=O)c1ccc(NCCCn2cc[nH+]c2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000223420515 557470267 /nfs/dbraw/zinc/47/02/67/557470267.db2.gz ULZYQCWNBRHOAJ-UHFFFAOYSA-N 1 2 444.513 2.981 40 0 IFABLO Cc1cccc(OC[C@@H](O)C[NH+]2CCN(CC(=O)c3ccc(Br)cc3)CC2)c1 ZINC000019229503 557498105 /nfs/dbraw/zinc/49/81/05/557498105.db2.gz DGBXRWBJIVSWCX-FQEVSTJZSA-N 1 2 447.373 2.998 40 0 IFABLO Cc1cc(C)c2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)NCC(C)C)cc2c1 ZINC000019823843 557508219 /nfs/dbraw/zinc/50/82/19/557508219.db2.gz HPYOKWJJJCWWCD-UHFFFAOYSA-N 1 2 430.618 2.810 40 0 IFABLO Cc1cc2cc(CN(CC[NH+]3CCOCC3)C(=S)NCC(C)C)c(=O)[nH]c2cc1C ZINC000019824290 557508571 /nfs/dbraw/zinc/50/85/71/557508571.db2.gz JGDHOPFXOWUWDV-UHFFFAOYSA-N 1 2 430.618 2.810 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCSC3CCCC3)c2)CC1 ZINC000224577797 557626591 /nfs/dbraw/zinc/62/65/91/557626591.db2.gz OGYKSTLCCMZQGU-UHFFFAOYSA-N 1 2 446.038 2.682 40 0 IFABLO Cc1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000224939017 557669180 /nfs/dbraw/zinc/66/91/80/557669180.db2.gz AWRINANNQQSFDU-UHFFFAOYSA-N 1 2 439.940 2.905 40 0 IFABLO CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000225259394 557706148 /nfs/dbraw/zinc/70/61/48/557706148.db2.gz XHWDHTNUOYAWBZ-NRFANRHFSA-N 1 2 442.541 2.742 40 0 IFABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000225534837 557738004 /nfs/dbraw/zinc/73/80/04/557738004.db2.gz JYZQZHXGTPOLQH-SFHVURJKSA-N 1 2 442.516 2.729 40 0 IFABLO COc1cccc(Nc2ncccc2C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C(N)=O)c1 ZINC000257205211 568667560 /nfs/dbraw/zinc/66/75/60/568667560.db2.gz AYCBBBBKBDLSHU-QFIPXVFZSA-N 1 2 445.523 2.646 40 0 IFABLO COc1cccc(Nc2ncccc2C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(N)=O)c1 ZINC000257205211 568667563 /nfs/dbraw/zinc/66/75/63/568667563.db2.gz AYCBBBBKBDLSHU-QFIPXVFZSA-N 1 2 445.523 2.646 40 0 IFABLO COc1cccc(Nc2ncccc2C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(N)=O)c1 ZINC000257205210 568667630 /nfs/dbraw/zinc/66/76/30/568667630.db2.gz AYCBBBBKBDLSHU-JOCHJYFZSA-N 1 2 445.523 2.646 40 0 IFABLO COc1cccc(Nc2ncccc2C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(N)=O)c1 ZINC000257205210 568667631 /nfs/dbraw/zinc/66/76/31/568667631.db2.gz AYCBBBBKBDLSHU-JOCHJYFZSA-N 1 2 445.523 2.646 40 0 IFABLO COc1ccc([C@@H]2CN(CC(=O)Nc3ccc4c(c3)[nH+]c(C)n4C)CCN2C(C)=O)cc1 ZINC000257221553 568674991 /nfs/dbraw/zinc/67/49/91/568674991.db2.gz DPOFLYJZUJEFCT-QHCPKHFHSA-N 1 2 435.528 2.734 40 0 IFABLO CC1(C)CC2(CN1S(C)(=O)=O)CC[NH+](CC(=O)Nc1ccccc1OC(F)F)CC2 ZINC000257221516 568675011 /nfs/dbraw/zinc/67/50/11/568675011.db2.gz DPJUGWXPDOOYCK-UHFFFAOYSA-N 1 2 445.532 2.753 40 0 IFABLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1C[C@@H](c2cc(F)cc(F)c2)[C@]2(C1)CCCCC(=O)N2 ZINC000257248749 568687880 /nfs/dbraw/zinc/68/78/80/568687880.db2.gz JEZZCLKYDATQMZ-PGRDOPGGSA-N 1 2 431.487 2.772 40 0 IFABLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1C[C@@H](c2cc(F)cc(F)c2)[C@]2(C1)CCCCC(=O)N2 ZINC000257248749 568687881 /nfs/dbraw/zinc/68/78/81/568687881.db2.gz JEZZCLKYDATQMZ-PGRDOPGGSA-N 1 2 431.487 2.772 40 0 IFABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3(Cc4ccccc4)CCOCC3)CC[N@@H+]2C)c1 ZINC000257257531 568692030 /nfs/dbraw/zinc/69/20/30/568692030.db2.gz KQAVWZISKVZGKN-HSZRJFAPSA-N 1 2 435.568 2.901 40 0 IFABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3(Cc4ccccc4)CCOCC3)CC[N@H+]2C)c1 ZINC000257257531 568692031 /nfs/dbraw/zinc/69/20/31/568692031.db2.gz KQAVWZISKVZGKN-HSZRJFAPSA-N 1 2 435.568 2.901 40 0 IFABLO O=C(C[N@@H+]1CCC[C@@]2(C1)C/C=C/Cc1ccccc1OCC(=O)NC2)Nc1nccs1 ZINC000257280260 568702278 /nfs/dbraw/zinc/70/22/78/568702278.db2.gz OKESTMAZCFIFSF-CRTIWDKESA-N 1 2 440.569 2.861 40 0 IFABLO O=C(C[N@H+]1CCC[C@@]2(C1)C/C=C/Cc1ccccc1OCC(=O)NC2)Nc1nccs1 ZINC000257280260 568702279 /nfs/dbraw/zinc/70/22/79/568702279.db2.gz OKESTMAZCFIFSF-CRTIWDKESA-N 1 2 440.569 2.861 40 0 IFABLO COc1cc2c(cc1C[N@@H+]1CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C1)OCO2 ZINC000257286800 568705318 /nfs/dbraw/zinc/70/53/18/568705318.db2.gz PNBWAXITZXFJQB-JOCHJYFZSA-N 1 2 448.903 2.603 40 0 IFABLO COc1cc2c(cc1C[N@H+]1CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C1)OCO2 ZINC000257286800 568705321 /nfs/dbraw/zinc/70/53/21/568705321.db2.gz PNBWAXITZXFJQB-JOCHJYFZSA-N 1 2 448.903 2.603 40 0 IFABLO CN(C(=O)c1cccc(N2CCCCS2(=O)=O)c1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257290946 568707040 /nfs/dbraw/zinc/70/70/40/568707040.db2.gz QFABRNOAJZHGER-HXUWFJFHSA-N 1 2 428.558 2.753 40 0 IFABLO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)C2)nc[nH+]1 ZINC000257325443 568722453 /nfs/dbraw/zinc/72/24/53/568722453.db2.gz WSYPVSMGXBVHRQ-HXUWFJFHSA-N 1 2 448.449 2.784 40 0 IFABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4cccc(C)c4)CCOCC3)CC[N@@H+]2C)c1 ZINC000257325713 568722463 /nfs/dbraw/zinc/72/24/63/568722463.db2.gz WUCSDRPZLNPSQA-HSZRJFAPSA-N 1 2 435.568 2.918 40 0 IFABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4cccc(C)c4)CCOCC3)CC[N@H+]2C)c1 ZINC000257325713 568722467 /nfs/dbraw/zinc/72/24/67/568722467.db2.gz WUCSDRPZLNPSQA-HSZRJFAPSA-N 1 2 435.568 2.918 40 0 IFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(C(=O)OC)cc1 ZINC000261365713 568733801 /nfs/dbraw/zinc/73/38/01/568733801.db2.gz UVAUZLDATHIIKA-FQEVSTJZSA-O 1 2 437.501 2.949 40 0 IFABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3cccnc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306123054 568762351 /nfs/dbraw/zinc/76/23/51/568762351.db2.gz ADMQFTCXBKCIGN-BWKNWUBXSA-N 1 2 444.539 2.913 40 0 IFABLO c1c([C@H]2CN(Cc3ccccn3)CC[N@H+]2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306128087 568764979 /nfs/dbraw/zinc/76/49/79/568764979.db2.gz GPUGOCUXLDLCFV-HSZRJFAPSA-N 1 2 432.572 2.835 40 0 IFABLO c1c([C@H]2CN(Cc3ccccn3)CC[N@@H+]2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306128087 568764980 /nfs/dbraw/zinc/76/49/80/568764980.db2.gz GPUGOCUXLDLCFV-HSZRJFAPSA-N 1 2 432.572 2.835 40 0 IFABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccncc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306131630 568766861 /nfs/dbraw/zinc/76/68/61/568766861.db2.gz KKPGPEYCTZFDGS-BWKNWUBXSA-N 1 2 444.539 2.913 40 0 IFABLO Cc1[nH+]c2c(n1CC1CC1)CN(C(=O)c1ccco1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306132560 568767475 /nfs/dbraw/zinc/76/74/75/568767475.db2.gz LMHUXFARFSVJLX-UHFFFAOYSA-N 1 2 425.533 2.866 40 0 IFABLO Cc1ccsc1C[N@@H+]1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@@H]2C1 ZINC000306134983 568768788 /nfs/dbraw/zinc/76/87/88/568768788.db2.gz ODVUTSNMTANRNH-QZTJIDSGSA-N 1 2 442.566 2.683 40 0 IFABLO Cc1ccsc1C[N@H+]1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@@H]2C1 ZINC000306134983 568768790 /nfs/dbraw/zinc/76/87/90/568768790.db2.gz ODVUTSNMTANRNH-QZTJIDSGSA-N 1 2 442.566 2.683 40 0 IFABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccccn3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306138427 568770538 /nfs/dbraw/zinc/77/05/38/568770538.db2.gz RXGWGZYRQUZFFH-NLFFAJNJSA-N 1 2 444.539 2.913 40 0 IFABLO O=S1(=O)c2ccccc2O[C@]2(CC[N@H+](Cc3ccccn3)C2)CN1Cc1ccccn1 ZINC000306143091 568773029 /nfs/dbraw/zinc/77/30/29/568773029.db2.gz XTERSULCTFKIQK-QHCPKHFHSA-N 1 2 436.537 2.705 40 0 IFABLO O=S1(=O)c2ccccc2O[C@]2(CC[N@@H+](Cc3ccccn3)C2)CN1Cc1ccccn1 ZINC000306143091 568773032 /nfs/dbraw/zinc/77/30/32/568773032.db2.gz XTERSULCTFKIQK-QHCPKHFHSA-N 1 2 436.537 2.705 40 0 IFABLO C[C@@H](CO)Nc1nc(NCCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328978329 568808136 /nfs/dbraw/zinc/80/81/36/568808136.db2.gz FXPORQYKQSOHST-AWEZNQCLSA-N 1 2 433.434 2.728 40 0 IFABLO Cc1nc2cc(C(=O)N3CCC(c4ccc(C(=O)N5CC[NH+](C)CC5)cn4)CC3)ccc2[nH]1 ZINC000019705812 569234255 /nfs/dbraw/zinc/23/42/55/569234255.db2.gz YEZGUIXWRDZZFJ-UHFFFAOYSA-N 1 2 446.555 2.674 40 0 IFABLO Cc1nc([C@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccn3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019766111 569239180 /nfs/dbraw/zinc/23/91/80/569239180.db2.gz LDFFAWSBSRXRPZ-IBGZPJMESA-N 1 2 444.539 2.880 40 0 IFABLO Cc1nc([C@H]2CCN(C(=O)C[N@H+](C)Cc3ccccn3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019766111 569239181 /nfs/dbraw/zinc/23/91/81/569239181.db2.gz LDFFAWSBSRXRPZ-IBGZPJMESA-N 1 2 444.539 2.880 40 0 IFABLO COc1ccc(OC)c([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1 ZINC000261363269 569315677 /nfs/dbraw/zinc/31/56/77/569315677.db2.gz QMVSCMPULQOCKS-HXUWFJFHSA-O 1 2 425.490 2.789 40 0 IFABLO COc1cccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1OC ZINC000261364648 569315808 /nfs/dbraw/zinc/31/58/08/569315808.db2.gz MRLZKMBMQRJCBD-FQEVSTJZSA-O 1 2 425.490 2.789 40 0 IFABLO O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccccc1C[NH2+]CC2=O)NCc1ccccn1 ZINC000067878817 569472999 /nfs/dbraw/zinc/47/29/99/569472999.db2.gz UHPUHOMLTBZWSU-FPOVZHCZSA-N 1 2 436.556 2.515 40 0 IFABLO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4Cc4cccnc4)n3)ccn2)CC1 ZINC000049154995 291339966 /nfs/dbraw/zinc/33/99/66/291339966.db2.gz MLCCTMMGQAVVRH-FQEVSTJZSA-N 1 2 433.516 2.532 40 0 biogenic,in-vitro IFABLO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4Cc4cccnc4)n3)ccn2)CC1 ZINC000049154995 291339969 /nfs/dbraw/zinc/33/99/69/291339969.db2.gz MLCCTMMGQAVVRH-FQEVSTJZSA-N 1 2 433.516 2.532 40 0 biogenic,in-vitro IFABLO COc1ccccc1C(=O)N1CC[N@@H+]2[C@@H](C1)CN(C(=O)NCc1ccccc1)CC2(C)C ZINC000253398294 291347505 /nfs/dbraw/zinc/34/75/05/291347505.db2.gz GWPDUWUGSIKVBA-FQEVSTJZSA-N 1 2 436.556 2.826 40 0 biogenic,in-vitro IFABLO COc1ccccc1C(=O)N1CC[N@H+]2[C@@H](C1)CN(C(=O)NCc1ccccc1)CC2(C)C ZINC000253398294 291347506 /nfs/dbraw/zinc/34/75/06/291347506.db2.gz GWPDUWUGSIKVBA-FQEVSTJZSA-N 1 2 436.556 2.826 40 0 biogenic,in-vitro IFABLO CCCS(=O)(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@H+](C)C1 ZINC000020464148 520536163 /nfs/dbraw/zinc/53/61/63/520536163.db2.gz GPVGLSNRUAZUIL-JSGCOSHPSA-N 1 2 434.440 2.710 40 0 biogenic,in-vitro IFABLO CCCS(=O)(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@@H+](C)C1 ZINC000020464148 520536170 /nfs/dbraw/zinc/53/61/70/520536170.db2.gz GPVGLSNRUAZUIL-JSGCOSHPSA-N 1 2 434.440 2.710 40 0 biogenic,in-vitro IFABLO CCOc1ccccc1C(=O)NC1CC[NH+](CC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000012644338 521456609 /nfs/dbraw/zinc/45/66/09/521456609.db2.gz VJBODMVJYRIMPW-UHFFFAOYSA-N 1 2 441.528 2.935 40 0 IFABLO COCCCN1C(=O)CCc2c(C)nc(CN(C)Cc3c(C)[nH+]c4c(C)cccn34)nc21 ZINC000019697984 523284563 /nfs/dbraw/zinc/28/45/63/523284563.db2.gz SMMPOEVYARIFAC-UHFFFAOYSA-N 1 2 436.560 2.997 40 0 IFABLO CCn1ncc(C[NH+]2CCN(C(=O)CCn3nc(C)c(Br)c3C)CC2)c1C ZINC000022500705 523692185 /nfs/dbraw/zinc/69/21/85/523692185.db2.gz LXDXNVRHTBDFFM-UHFFFAOYSA-N 1 2 437.386 2.522 40 0 IFABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCC[C@@H](C)C4)nc3C2)cc1Cn1cccn1 ZINC000012182721 524038264 /nfs/dbraw/zinc/03/82/64/524038264.db2.gz HAHRBECOQPAEBO-GOSISDBHSA-N 1 2 448.571 2.818 40 0 IFABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(N4CCC[C@@H](C)C4)nc3C2)cc1Cn1cccn1 ZINC000012182721 524038267 /nfs/dbraw/zinc/03/82/67/524038267.db2.gz HAHRBECOQPAEBO-GOSISDBHSA-N 1 2 448.571 2.818 40 0 IFABLO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cc1C(=O)N1CCCC1 ZINC000020451701 525067702 /nfs/dbraw/zinc/06/77/02/525067702.db2.gz KXKWHIJJNABPPK-UHFFFAOYSA-N 1 2 440.525 2.595 40 0 IFABLO CS(=O)(=O)N(CCCC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000020455288 525154696 /nfs/dbraw/zinc/15/46/96/525154696.db2.gz PPXZPFLNPYQLCM-UHFFFAOYSA-N 1 2 430.505 2.874 40 0 IFABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)c(Cl)c2)cc1 ZINC000020454926 525599745 /nfs/dbraw/zinc/59/97/45/525599745.db2.gz TXOFSDYQQMIBHB-UHFFFAOYSA-N 1 2 437.949 2.511 40 0 IFABLO C[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000020452324 526078702 /nfs/dbraw/zinc/07/87/02/526078702.db2.gz SJBHCQMSUPJXFI-OAHLLOKOSA-N 1 2 432.933 2.997 40 0 IFABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000408557892 555896279 /nfs/dbraw/zinc/89/62/79/555896279.db2.gz OORIOZYTSNVZQT-UHFFFAOYSA-N 1 2 437.949 2.927 40 0 IFABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408562034 555905023 /nfs/dbraw/zinc/90/50/23/555905023.db2.gz XDBIYPDEYJEBID-UHFFFAOYSA-N 1 2 437.949 2.927 40 0 IFABLO O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)NCCCn1cc[nH+]c1 ZINC000408605174 555965807 /nfs/dbraw/zinc/96/58/07/555965807.db2.gz MVGRBVRDPIKTEI-UHFFFAOYSA-N 1 2 448.932 2.923 40 0 IFABLO O=C(NCC[NH+]1CCOCC1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000408626952 555997790 /nfs/dbraw/zinc/99/77/90/555997790.db2.gz YNBGEAIGGDXJTO-XMMPIXPASA-N 1 2 439.581 2.565 40 0 IFABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000008680586 556198846 /nfs/dbraw/zinc/19/88/46/556198846.db2.gz RBAYRKPIKNRBGG-WOJBJXKFSA-N 1 2 440.548 2.750 40 0 IFABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000008680586 556198848 /nfs/dbraw/zinc/19/88/48/556198848.db2.gz RBAYRKPIKNRBGG-WOJBJXKFSA-N 1 2 440.548 2.750 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000015080069 556500721 /nfs/dbraw/zinc/50/07/21/556500721.db2.gz LDMSSCBRHLGNJN-UHFFFAOYSA-N 1 2 427.448 2.894 40 0 IFABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000030755089 556504561 /nfs/dbraw/zinc/50/45/61/556504561.db2.gz JRMJXFIRNZTEIY-UHFFFAOYSA-N 1 2 430.555 2.651 40 0 IFABLO CN(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016187594 556587706 /nfs/dbraw/zinc/58/77/06/556587706.db2.gz XXOOQKSBGMUYNG-VMPITWQZSA-N 1 2 447.988 2.818 40 0 IFABLO CCOc1ccc(N([C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)cc1 ZINC000038756658 556618254 /nfs/dbraw/zinc/61/82/54/556618254.db2.gz ZSGOIDVXOLVIFO-KRWDZBQOSA-N 1 2 442.541 2.742 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000016740355 556634237 /nfs/dbraw/zinc/63/42/37/556634237.db2.gz ZLIBWUJRVBPQGB-UHFFFAOYSA-N 1 2 427.448 2.894 40 0 IFABLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000044903377 556678735 /nfs/dbraw/zinc/67/87/35/556678735.db2.gz YLJCXEZRCPVDSP-KRWDZBQOSA-N 1 2 430.555 2.651 40 0 IFABLO COc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)c(OC)c1 ZINC000019291273 556731394 /nfs/dbraw/zinc/73/13/94/556731394.db2.gz DOFMJPMQXDHAQN-QHCPKHFHSA-N 1 2 440.519 2.980 40 0 IFABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)CC[C@@H]5CCCO5)CC4)[nH]n3c(=O)c2C1 ZINC000019448143 556757080 /nfs/dbraw/zinc/75/70/80/556757080.db2.gz LWKYKXFWPCUQID-SFHVURJKSA-N 1 2 441.576 2.867 40 0 IFABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)CC[C@@H]5CCCO5)CC4)[nH]n3c(=O)c2C1 ZINC000019448143 556757083 /nfs/dbraw/zinc/75/70/83/556757083.db2.gz LWKYKXFWPCUQID-SFHVURJKSA-N 1 2 441.576 2.867 40 0 IFABLO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](O)c3c(C)[nH]c4ccc(F)cc43)CC2)cc1 ZINC000019581430 556819713 /nfs/dbraw/zinc/81/97/13/556819713.db2.gz PUWSBFJMOVHNQK-OAQYLSRUSA-N 1 2 447.532 2.664 40 0 IFABLO Cc1ncccc1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)CC1 ZINC000019582837 556820391 /nfs/dbraw/zinc/82/03/91/556820391.db2.gz GXVWONTVTRJOPB-UHFFFAOYSA-N 1 2 434.544 2.925 40 0 IFABLO Cc1ncccc1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)CC1 ZINC000019582837 556820393 /nfs/dbraw/zinc/82/03/93/556820393.db2.gz GXVWONTVTRJOPB-UHFFFAOYSA-N 1 2 434.544 2.925 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCO)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000004847557 556823563 /nfs/dbraw/zinc/82/35/63/556823563.db2.gz UYPPZQZMUXWLKX-IBGZPJMESA-N 1 2 428.537 2.614 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCO)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000004847557 556823565 /nfs/dbraw/zinc/82/35/65/556823565.db2.gz UYPPZQZMUXWLKX-IBGZPJMESA-N 1 2 428.537 2.614 40 0 IFABLO COc1ccc2cc(C[N@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCC3)c(=O)[nH]c2c1 ZINC000006282817 556831297 /nfs/dbraw/zinc/83/12/97/556831297.db2.gz UHEZEDBFFHOQKM-FQEVSTJZSA-N 1 2 438.532 2.647 40 0 IFABLO COc1ccc2cc(C[N@@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCC3)c(=O)[nH]c2c1 ZINC000006282817 556831300 /nfs/dbraw/zinc/83/13/00/556831300.db2.gz UHEZEDBFFHOQKM-FQEVSTJZSA-N 1 2 438.532 2.647 40 0 IFABLO COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000006282864 556831392 /nfs/dbraw/zinc/83/13/92/556831392.db2.gz CIHJLLWHVWHXIY-NRFANRHFSA-N 1 2 434.475 2.896 40 0 IFABLO COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@@H]1CCCC[N@@H+]1CC(=O)N(C)C ZINC000019694815 556851060 /nfs/dbraw/zinc/85/10/60/556851060.db2.gz LSDOFGAFQMZJOC-KRWDZBQOSA-N 1 2 427.549 2.842 40 0 IFABLO COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@@H]1CCCC[N@H+]1CC(=O)N(C)C ZINC000019694815 556851063 /nfs/dbraw/zinc/85/10/63/556851063.db2.gz LSDOFGAFQMZJOC-KRWDZBQOSA-N 1 2 427.549 2.842 40 0 IFABLO Cc1nc(C)c(C(=O)N2CCC(c3ccc(C(=O)N4CC[NH+](C)CC4)cn3)CC2)s1 ZINC000019705807 556863166 /nfs/dbraw/zinc/86/31/66/556863166.db2.gz MMMGBAILJPYTAZ-UHFFFAOYSA-N 1 2 427.574 2.562 40 0 IFABLO CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(C)c2)nc2c1C[N@H+](C)CC2 ZINC000019710246 556872294 /nfs/dbraw/zinc/87/22/94/556872294.db2.gz VBZMGBWLACKYTB-IBGZPJMESA-N 1 2 445.589 2.739 40 0 IFABLO CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(C)c2)nc2c1C[N@@H+](C)CC2 ZINC000019710246 556872297 /nfs/dbraw/zinc/87/22/97/556872297.db2.gz VBZMGBWLACKYTB-IBGZPJMESA-N 1 2 445.589 2.739 40 0 IFABLO CN(C)c1nc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2F)nc2c1C[N@H+](C)CC2 ZINC000019710367 556872800 /nfs/dbraw/zinc/87/28/00/556872800.db2.gz DIECFUBSMCEPCQ-IBGZPJMESA-N 1 2 445.514 2.941 40 0 IFABLO CN(C)c1nc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2F)nc2c1C[N@@H+](C)CC2 ZINC000019710367 556872803 /nfs/dbraw/zinc/87/28/03/556872803.db2.gz DIECFUBSMCEPCQ-IBGZPJMESA-N 1 2 445.514 2.941 40 0 IFABLO CNc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)nc2c1C[N@H+](C)CC2 ZINC000019710584 556874045 /nfs/dbraw/zinc/87/40/45/556874045.db2.gz KAXWDRCJFVKRBB-OAHLLOKOSA-N 1 2 433.553 2.522 40 0 IFABLO CNc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710584 556874047 /nfs/dbraw/zinc/87/40/47/556874047.db2.gz KAXWDRCJFVKRBB-OAHLLOKOSA-N 1 2 433.553 2.522 40 0 IFABLO Cc1nonc1NC(=O)C[NH+]1CCC([C@@H]2CCCCN(CCc3ccccc3)C2=O)CC1 ZINC000019744132 556889903 /nfs/dbraw/zinc/88/99/03/556889903.db2.gz IUIARSFRWQMKIY-NRFANRHFSA-N 1 2 439.560 2.900 40 0 IFABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)s1 ZINC000019762268 556906470 /nfs/dbraw/zinc/90/64/70/556906470.db2.gz UWPLENSLEDESEQ-OAQYLSRUSA-N 1 2 426.542 2.638 40 0 IFABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)s1 ZINC000019762268 556906474 /nfs/dbraw/zinc/90/64/74/556906474.db2.gz UWPLENSLEDESEQ-OAQYLSRUSA-N 1 2 426.542 2.638 40 0 IFABLO O=C(Cc1ccccc1)N1CCC(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000409054713 556938348 /nfs/dbraw/zinc/93/83/48/556938348.db2.gz VYNGVCLHDZLCLJ-UHFFFAOYSA-N 1 2 449.551 2.541 40 0 IFABLO COCCCN1C[NH+]=C2N[C@@H](c3ccc(OC)cc3OC)n3c4ccccc4nc3N2C1 ZINC000019960350 556955324 /nfs/dbraw/zinc/95/53/24/556955324.db2.gz SQWQLPLDEFLRNG-OAQYLSRUSA-N 1 2 436.516 2.633 40 0 IFABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCC3)cc2c1 ZINC000006196829 557149492 /nfs/dbraw/zinc/14/94/92/557149492.db2.gz LCJVLPGOFNLIJO-RXVVDRJESA-N 1 2 438.532 2.668 40 0 IFABLO CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1nccs1)CC2 ZINC000096036918 557164107 /nfs/dbraw/zinc/16/41/07/557164107.db2.gz HJVNBSIWHRQZCA-UHFFFAOYSA-N 1 2 443.598 2.773 40 0 IFABLO CC[N@@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000096144972 557174058 /nfs/dbraw/zinc/17/40/58/557174058.db2.gz GQUCMTVMFCYWLS-UHFFFAOYSA-N 1 2 434.544 2.759 40 0 IFABLO CC[N@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000096144972 557174060 /nfs/dbraw/zinc/17/40/60/557174060.db2.gz GQUCMTVMFCYWLS-UHFFFAOYSA-N 1 2 434.544 2.759 40 0 IFABLO Cc1nc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccn23)cn1Cc1cccnc1 ZINC000096154954 557179064 /nfs/dbraw/zinc/17/90/64/557179064.db2.gz AUYFARGADYIUAF-UHFFFAOYSA-N 1 2 444.539 2.617 40 0 IFABLO COc1cccc(NC(=O)c2cn(-c3[nH+]c(CN4CCOCC4)c4ccccn43)cn2)c1 ZINC000096155552 557180068 /nfs/dbraw/zinc/18/00/68/557180068.db2.gz XAZNUXFNOXVCPY-UHFFFAOYSA-N 1 2 432.484 2.613 40 0 IFABLO COc1ccc([C@H]2CN(C(=O)c3ccccc3NC(=O)c3ccn(C)n3)CC[N@@H+]2C)cc1 ZINC000585261812 557197008 /nfs/dbraw/zinc/19/70/08/557197008.db2.gz PDHZFRGBQIKILZ-JOCHJYFZSA-N 1 2 433.512 2.810 40 0 IFABLO COc1ccc([C@H]2CN(C(=O)c3ccccc3NC(=O)c3ccn(C)n3)CC[N@H+]2C)cc1 ZINC000585261812 557197011 /nfs/dbraw/zinc/19/70/11/557197011.db2.gz PDHZFRGBQIKILZ-JOCHJYFZSA-N 1 2 433.512 2.810 40 0 IFABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(O)CC3)cc2c1 ZINC000057589459 557249834 /nfs/dbraw/zinc/24/98/34/557249834.db2.gz MCBUYXCINDYNKF-JOCHJYFZSA-N 1 2 448.502 2.557 40 0 IFABLO CC(C)(C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCOCC2)CC4)C1 ZINC000100233636 557250375 /nfs/dbraw/zinc/25/03/75/557250375.db2.gz PEPVHGJNVGBOSM-MRXNPFEDSA-N 1 2 441.576 2.724 40 0 IFABLO CC(C)(C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCOCC2)CC4)C1 ZINC000100233636 557250380 /nfs/dbraw/zinc/25/03/80/557250380.db2.gz PEPVHGJNVGBOSM-MRXNPFEDSA-N 1 2 441.576 2.724 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@H](C)c3nnnn3C(C)(C)C)cc2c1 ZINC000057674915 557253729 /nfs/dbraw/zinc/25/37/29/557253729.db2.gz JIHWWPWPHXFFAG-OAHLLOKOSA-N 1 2 428.537 2.614 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](C)c3nnnn3C(C)(C)C)cc2c1 ZINC000057674915 557253731 /nfs/dbraw/zinc/25/37/31/557253731.db2.gz JIHWWPWPHXFFAG-OAHLLOKOSA-N 1 2 428.537 2.614 40 0 IFABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(O)CC3)cc2c1 ZINC000057594885 557254098 /nfs/dbraw/zinc/25/40/98/557254098.db2.gz NCQFXNSMNLQZJN-OAQYLSRUSA-N 1 2 438.532 2.575 40 0 IFABLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000013119444 557296438 /nfs/dbraw/zinc/29/64/38/557296438.db2.gz MWVOVGRUZRZOAL-CQSZACIVSA-N 1 2 445.372 2.797 40 0 IFABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013496002 557326108 /nfs/dbraw/zinc/32/61/08/557326108.db2.gz IMVJFZBYGJDZNJ-NRFANRHFSA-N 1 2 436.516 2.800 40 0 IFABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013496002 557326112 /nfs/dbraw/zinc/32/61/12/557326112.db2.gz IMVJFZBYGJDZNJ-NRFANRHFSA-N 1 2 436.516 2.800 40 0 IFABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495987 557326156 /nfs/dbraw/zinc/32/61/56/557326156.db2.gz PRAUIDBIGSMLSR-HXUWFJFHSA-N 1 2 436.516 2.800 40 0 IFABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495987 557326159 /nfs/dbraw/zinc/32/61/59/557326159.db2.gz PRAUIDBIGSMLSR-HXUWFJFHSA-N 1 2 436.516 2.800 40 0 IFABLO Cc1nn2c(nnc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccc(Br)cc1 ZINC000013639242 557384566 /nfs/dbraw/zinc/38/45/66/557384566.db2.gz OKCWZVDVQQBCDZ-UHFFFAOYSA-N 1 2 429.322 2.558 40 0 IFABLO Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)nc1 ZINC000223129885 557436268 /nfs/dbraw/zinc/43/62/68/557436268.db2.gz UWBMUORHGXIMDY-XZOQPEGZSA-N 1 2 448.596 2.880 40 0 IFABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1CC[NH+]1CCOCC1 ZINC000223155839 557439744 /nfs/dbraw/zinc/43/97/44/557439744.db2.gz LOKXHRISPGSPFU-GOTSBHOMSA-N 1 2 448.596 2.631 40 0 IFABLO CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](C(=O)OCC)C3)C2=O)cc1 ZINC000018204385 557497001 /nfs/dbraw/zinc/49/70/01/557497001.db2.gz FCYOHSVNGFHIEL-MJGOQNOKSA-N 1 2 430.501 2.551 40 0 IFABLO CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](C(=O)OCC)C3)C2=O)cc1 ZINC000018204385 557497003 /nfs/dbraw/zinc/49/70/03/557497003.db2.gz FCYOHSVNGFHIEL-MJGOQNOKSA-N 1 2 430.501 2.551 40 0 IFABLO Cc1cccc(OC[C@H](O)C[NH+]2CCN(CC(=O)c3ccc(Br)cc3)CC2)c1 ZINC000019229505 557498119 /nfs/dbraw/zinc/49/81/19/557498119.db2.gz DGBXRWBJIVSWCX-HXUWFJFHSA-N 1 2 447.373 2.998 40 0 IFABLO Cc1c(Br)cnc(NC(=S)NCC[NH+]2CCOCC2)c1Br ZINC000223892152 557525949 /nfs/dbraw/zinc/52/59/49/557525949.db2.gz CCQDQEGEVWEYQX-UHFFFAOYSA-N 1 2 438.189 2.534 40 0 IFABLO Cc1nc(NC(=S)NCC[NH+]2CCOCC2)c(Br)cc1Br ZINC000223891521 557525914 /nfs/dbraw/zinc/52/59/14/557525914.db2.gz MFLUXTQHMXUUTQ-UHFFFAOYSA-N 1 2 438.189 2.534 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)NCCSC3CCCC3)ccc2Cl)CC1 ZINC000224328472 557592537 /nfs/dbraw/zinc/59/25/37/557592537.db2.gz NDXRHGBCWIEEMK-UHFFFAOYSA-N 1 2 446.038 2.682 40 0 IFABLO CCc1ccc(CC)c(CNC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)c1 ZINC000225700115 557766456 /nfs/dbraw/zinc/76/64/56/557766456.db2.gz PMIFDLWEGIHKKL-UHFFFAOYSA-N 1 2 443.613 2.986 40 0 IFABLO CCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1C ZINC000225873284 557787694 /nfs/dbraw/zinc/78/76/94/557787694.db2.gz ANEJAGGWSVOGBN-UHFFFAOYSA-N 1 2 431.558 2.891 40 0 IFABLO O=C(COc1ccc(C[NH+]2CCOCC2)cc1)N1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000257201723 568665833 /nfs/dbraw/zinc/66/58/33/568665833.db2.gz AITVQXXZIXASIV-HSZRJFAPSA-N 1 2 447.539 2.842 40 0 IFABLO O=C(C[N@H+]1C[C@@H](c2cccc(F)c2)[C@]2(C1)CCCC(=O)N2)Nc1ccc2c(c1)OCCO2 ZINC000257219930 568674411 /nfs/dbraw/zinc/67/44/11/568674411.db2.gz DIWJXTYIFDHQGM-YADARESESA-N 1 2 439.487 2.674 40 0 IFABLO O=C(C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@]2(C1)CCCC(=O)N2)Nc1ccc2c(c1)OCCO2 ZINC000257219930 568674414 /nfs/dbraw/zinc/67/44/14/568674414.db2.gz DIWJXTYIFDHQGM-YADARESESA-N 1 2 439.487 2.674 40 0 IFABLO COc1cccc(-c2cncc([C@H]3C[N@H+](Cc4ccc5c(c4)n(C)c(=O)n5C)CCO3)n2)c1 ZINC000257273064 568698840 /nfs/dbraw/zinc/69/88/40/568698840.db2.gz NFCOVALCLIKNTK-XMMPIXPASA-N 1 2 445.523 2.916 40 0 IFABLO COc1cccc(-c2cncc([C@H]3C[N@@H+](Cc4ccc5c(c4)n(C)c(=O)n5C)CCO3)n2)c1 ZINC000257273064 568698842 /nfs/dbraw/zinc/69/88/42/568698842.db2.gz NFCOVALCLIKNTK-XMMPIXPASA-N 1 2 445.523 2.916 40 0 IFABLO COC(=O)[C@@H]1C[C@@H](NC(C)=O)[C@H](c2ccccc2)N1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000257287939 568705677 /nfs/dbraw/zinc/70/56/77/568705677.db2.gz PSCZIHOVMCCICL-VJBWXMMDSA-N 1 2 446.507 2.565 40 0 IFABLO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(Nc4ccccn4)n3)C2)ccc1OCC(N)=O ZINC000257322471 568720995 /nfs/dbraw/zinc/72/09/95/568720995.db2.gz WGCKYJZIHDURAP-OAQYLSRUSA-N 1 2 449.511 2.666 40 0 IFABLO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(Nc4ccccn4)n3)C2)ccc1OCC(N)=O ZINC000257322471 568720999 /nfs/dbraw/zinc/72/09/99/568720999.db2.gz WGCKYJZIHDURAP-OAQYLSRUSA-N 1 2 449.511 2.666 40 0 IFABLO CC(C)(NC(=O)COc1ccccc1)C(=O)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000257333693 568726014 /nfs/dbraw/zinc/72/60/14/568726014.db2.gz YCQOMUWATWVYRE-HXUWFJFHSA-N 1 2 433.512 2.905 40 0 IFABLO COc1ccc(OC)c([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1 ZINC000261363268 568733069 /nfs/dbraw/zinc/73/30/69/568733069.db2.gz QMVSCMPULQOCKS-FQEVSTJZSA-O 1 2 425.490 2.789 40 0 IFABLO COc1ccc(C[N@@H+]2CCO[C@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)cc1 ZINC000306131213 568766585 /nfs/dbraw/zinc/76/65/85/568766585.db2.gz JYRUCQFLSDAJEM-FQEVSTJZSA-N 1 2 431.500 2.875 40 0 IFABLO COc1ccc(C[N@H+]2CCO[C@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)cc1 ZINC000306131213 568766586 /nfs/dbraw/zinc/76/65/86/568766586.db2.gz JYRUCQFLSDAJEM-FQEVSTJZSA-N 1 2 431.500 2.875 40 0 IFABLO c1c([C@H]2CN(Cc3cccnc3)CC[N@H+]2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306142721 568773000 /nfs/dbraw/zinc/77/30/00/568773000.db2.gz XHLNYFJKLZSBHX-HSZRJFAPSA-N 1 2 432.572 2.835 40 0 IFABLO c1c([C@H]2CN(Cc3cccnc3)CC[N@@H+]2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306142721 568773001 /nfs/dbraw/zinc/77/30/01/568773001.db2.gz XHLNYFJKLZSBHX-HSZRJFAPSA-N 1 2 432.572 2.835 40 0 IFABLO Cc1cccc(C[N@@H+]2C[C@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccn4)[C@@H]3C2)c1 ZINC000306143250 568773071 /nfs/dbraw/zinc/77/30/71/568773071.db2.gz XXCLNCGGWFMQGK-NHCUHLMSSA-N 1 2 436.537 2.621 40 0 IFABLO Cc1cccc(C[N@H+]2C[C@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccn4)[C@@H]3C2)c1 ZINC000306143250 568773074 /nfs/dbraw/zinc/77/30/74/568773074.db2.gz XXCLNCGGWFMQGK-NHCUHLMSSA-N 1 2 436.537 2.621 40 0 IFABLO COCCC(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC000306144014 568773675 /nfs/dbraw/zinc/77/36/75/568773675.db2.gz YTJMKXYSJLHEHT-XMSQKQJNSA-N 1 2 445.589 2.610 40 0 IFABLO Cn1cc2c(n1)[C@H](C(=O)Nc1nccs1)C[N@@H+](Cc1ccc(N3CCCC3=O)cc1)C2 ZINC000019701404 569231361 /nfs/dbraw/zinc/23/13/61/569231361.db2.gz DNJZDVHNSPILRM-GOSISDBHSA-N 1 2 436.541 2.742 40 0 IFABLO Cn1cc2c(n1)[C@H](C(=O)Nc1nccs1)C[N@H+](Cc1ccc(N3CCCC3=O)cc1)C2 ZINC000019701404 569231362 /nfs/dbraw/zinc/23/13/62/569231362.db2.gz DNJZDVHNSPILRM-GOSISDBHSA-N 1 2 436.541 2.742 40 0 IFABLO CC(=O)N[C@H]1C[C@@H](CCNC(=O)C[N@@H+](C)Cc2ccccn2)O[C@@H](c2ccccc2F)C1 ZINC000019712409 569235333 /nfs/dbraw/zinc/23/53/33/569235333.db2.gz ZDDYSNBCKUXTQC-MIZPHKNDSA-N 1 2 442.535 2.584 40 0 IFABLO CC(=O)N[C@H]1C[C@@H](CCNC(=O)C[N@H+](C)Cc2ccccn2)O[C@@H](c2ccccc2F)C1 ZINC000019712409 569235335 /nfs/dbraw/zinc/23/53/35/569235335.db2.gz ZDDYSNBCKUXTQC-MIZPHKNDSA-N 1 2 442.535 2.584 40 0 IFABLO Cc1nc([C@@H]2CC[N@H+](CC(=O)n3cccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019738992 569236275 /nfs/dbraw/zinc/23/62/75/569236275.db2.gz SKKHMDDHNGURSM-LJQANCHMSA-N 1 2 430.512 2.591 40 0 IFABLO Cc1nc([C@@H]2CC[N@@H+](CC(=O)n3cccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019738992 569236276 /nfs/dbraw/zinc/23/62/76/569236276.db2.gz SKKHMDDHNGURSM-LJQANCHMSA-N 1 2 430.512 2.591 40 0 IFABLO CC(C)[C@@H](c1nnnn1Cc1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020140886 519801743 /nfs/dbraw/zinc/80/17/43/519801743.db2.gz PQVFJSAIIGKSQK-QHCPKHFHSA-N 1 2 434.544 2.965 40 0 IFABLO C[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000020490324 526083919 /nfs/dbraw/zinc/08/39/19/526083919.db2.gz SQFYZVYZYUULQQ-OAHLLOKOSA-N 1 2 432.933 2.997 40 0 IFABLO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1NC(=O)c1ccc(C)cc1 ZINC000408597703 555955605 /nfs/dbraw/zinc/95/56/05/555955605.db2.gz VZEJANTUHSEFEE-UHFFFAOYSA-N 1 2 428.514 2.821 40 0 IFABLO Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408598021 555956327 /nfs/dbraw/zinc/95/63/27/555956327.db2.gz YWBUEICXKFJFKB-UHFFFAOYSA-N 1 2 428.514 2.578 40 0 IFABLO Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000408598102 555956647 /nfs/dbraw/zinc/95/66/47/555956647.db2.gz ZVBMDYDUOJNOLJ-AQDCRGGLSA-N 1 2 427.570 2.519 40 0 IFABLO Cc1cccc(N(CC(=O)NCCCn2cc[nH+]c2)S(=O)(=O)c2ccccc2)c1C ZINC000408601563 555970255 /nfs/dbraw/zinc/97/02/55/555970255.db2.gz ALYRGGVVEAJRAG-UHFFFAOYSA-N 1 2 426.542 2.902 40 0 IFABLO CCOc1ccc(N(CC(=O)NCCCn2cc[nH+]c2)S(=O)(=O)c2ccccc2)cc1 ZINC000408627888 555998762 /nfs/dbraw/zinc/99/87/62/555998762.db2.gz QZGBIWICDAEUNB-UHFFFAOYSA-N 1 2 442.541 2.684 40 0 IFABLO CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)C2CCCCC2)cc1 ZINC000408637079 556019830 /nfs/dbraw/zinc/01/98/30/556019830.db2.gz XBNPVLKGAXJGOO-UHFFFAOYSA-N 1 2 448.589 2.812 40 0 IFABLO CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H]([C@@]2(O)C(=O)Nc3ccccc32)C1=O ZINC000005493139 556056642 /nfs/dbraw/zinc/05/66/42/556056642.db2.gz FYWMZXAKXGNCRK-UNIGDQOCSA-N 1 2 436.508 2.668 40 0 IFABLO CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H]([C@@]2(O)C(=O)Nc3ccccc32)C1=O ZINC000005493139 556056649 /nfs/dbraw/zinc/05/66/49/556056649.db2.gz FYWMZXAKXGNCRK-UNIGDQOCSA-N 1 2 436.508 2.668 40 0 IFABLO COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000006148952 556078206 /nfs/dbraw/zinc/07/82/06/556078206.db2.gz BJZOKVJGTYDAHH-NQIIRXRSSA-N 1 2 438.532 2.524 40 0 IFABLO CC(=O)N1CCC[C@](C[C@H]2CC(c3ccccc3C)=NO2)(C(=O)NCc2[nH+]ccn2C)C1 ZINC000012087526 556400614 /nfs/dbraw/zinc/40/06/14/556400614.db2.gz GRBBPKCHVIHZAE-NTKDMRAZSA-N 1 2 437.544 2.557 40 0 IFABLO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)N2 ZINC000019128682 556703740 /nfs/dbraw/zinc/70/37/40/556703740.db2.gz LKHLAJQRVURXDO-CIRFHOKZSA-N 1 2 425.524 2.530 40 0 IFABLO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)N2 ZINC000019128682 556703743 /nfs/dbraw/zinc/70/37/43/556703743.db2.gz LKHLAJQRVURXDO-CIRFHOKZSA-N 1 2 425.524 2.530 40 0 IFABLO COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2OCCN2CCCC2=O)CC[N@@H+]1C ZINC000257221713 556707820 /nfs/dbraw/zinc/70/78/20/556707820.db2.gz DQFZHUDMNJWXGA-NRFANRHFSA-N 1 2 437.540 2.825 40 0 IFABLO COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2OCCN2CCCC2=O)CC[N@H+]1C ZINC000257221713 556707821 /nfs/dbraw/zinc/70/78/21/556707821.db2.gz DQFZHUDMNJWXGA-NRFANRHFSA-N 1 2 437.540 2.825 40 0 IFABLO COc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)c(OC)c1 ZINC000019291271 556731498 /nfs/dbraw/zinc/73/14/98/556731498.db2.gz DOFMJPMQXDHAQN-HSZRJFAPSA-N 1 2 440.519 2.980 40 0 IFABLO O=C(CN1N=C(c2ccccc2)Cn2c(cc3ccccc32)C1=O)NCCc1c[nH+]c[nH]1 ZINC000019369831 556747372 /nfs/dbraw/zinc/74/73/72/556747372.db2.gz YNCXMXBNNHAWOO-UHFFFAOYSA-N 1 2 426.480 2.583 40 0 IFABLO O=C(CN1N=C(c2ccccc2)Cn2c(cc3ccccc32)C1=O)NCCc1c[nH]c[nH+]1 ZINC000019369831 556747375 /nfs/dbraw/zinc/74/73/75/556747375.db2.gz YNCXMXBNNHAWOO-UHFFFAOYSA-N 1 2 426.480 2.583 40 0 IFABLO C[C@@H]1CN(c2nccc(C[NH+]3CCC(c4nnc(-c5cccnc5)[nH]4)CC3)n2)C[C@@H](C)O1 ZINC000019497685 556770322 /nfs/dbraw/zinc/77/03/22/556770322.db2.gz LOOUJUZVQXJWHC-IAGOWNOFSA-N 1 2 434.548 2.650 40 0 IFABLO C[C@H]1CN(c2nccc(C[NH+]3CCC(c4nnc(-c5cccnc5)[nH]4)CC3)n2)C[C@H](C)O1 ZINC000019497687 556770382 /nfs/dbraw/zinc/77/03/82/556770382.db2.gz LOOUJUZVQXJWHC-IRXDYDNUSA-N 1 2 434.548 2.650 40 0 IFABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)[NH+]1CCCCC1)OCCO3 ZINC000006445209 556833429 /nfs/dbraw/zinc/83/34/29/556833429.db2.gz MYAQNLDMOIUIGK-OAQYLSRUSA-N 1 2 436.516 2.976 40 0 IFABLO CCCn1c2ccccc2nc1N1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000006530492 556838452 /nfs/dbraw/zinc/83/84/52/556838452.db2.gz XIAYUDVFTKGRBI-UHFFFAOYSA-N 1 2 435.528 2.978 40 0 IFABLO COc1cc(C[N@H+](C)Cc2nc([C@@H]3CC(=O)N(C)C3)cc(N(C)C)n2)ccc1OC(C)C ZINC000019700993 556860742 /nfs/dbraw/zinc/86/07/42/556860742.db2.gz SLAVUGMFXLDEIU-GOSISDBHSA-N 1 2 441.576 2.916 40 0 IFABLO COc1cc(C[N@@H+](C)Cc2nc([C@@H]3CC(=O)N(C)C3)cc(N(C)C)n2)ccc1OC(C)C ZINC000019700993 556860746 /nfs/dbraw/zinc/86/07/46/556860746.db2.gz SLAVUGMFXLDEIU-GOSISDBHSA-N 1 2 441.576 2.916 40 0 IFABLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CC[N@H+](Cc1ccc(N3CCCC3=O)cc1)C2 ZINC000019707398 556866863 /nfs/dbraw/zinc/86/68/63/556866863.db2.gz YYWOWMKQSVRXQW-QFIPXVFZSA-N 1 2 448.571 2.887 40 0 IFABLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CC[N@@H+](Cc1ccc(N3CCCC3=O)cc1)C2 ZINC000019707398 556866864 /nfs/dbraw/zinc/86/68/64/556866864.db2.gz YYWOWMKQSVRXQW-QFIPXVFZSA-N 1 2 448.571 2.887 40 0 IFABLO CNc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)nc2c1C[N@H+](C)CC2 ZINC000019710544 556873715 /nfs/dbraw/zinc/87/37/15/556873715.db2.gz BFQGCBWGOOLYTN-OAHLLOKOSA-N 1 2 433.553 2.522 40 0 IFABLO CNc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710544 556873717 /nfs/dbraw/zinc/87/37/17/556873717.db2.gz BFQGCBWGOOLYTN-OAHLLOKOSA-N 1 2 433.553 2.522 40 0 IFABLO CNc1nc([C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)nc2c1C[N@H+](C)CC2 ZINC000019710532 556873824 /nfs/dbraw/zinc/87/38/24/556873824.db2.gz FHDGWEZPGXGRRG-LJQANCHMSA-N 1 2 443.617 2.648 40 0 IFABLO CNc1nc([C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710532 556873828 /nfs/dbraw/zinc/87/38/28/556873828.db2.gz FHDGWEZPGXGRRG-LJQANCHMSA-N 1 2 443.617 2.648 40 0 IFABLO CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)nc2c1C[N@H+](C)CC2 ZINC000019710545 556873836 /nfs/dbraw/zinc/87/38/36/556873836.db2.gz BFQGCBWGOOLYTN-HNNXBMFYSA-N 1 2 433.553 2.522 40 0 IFABLO CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710545 556873839 /nfs/dbraw/zinc/87/38/39/556873839.db2.gz BFQGCBWGOOLYTN-HNNXBMFYSA-N 1 2 433.553 2.522 40 0 IFABLO Cc1[nH]c2ccc(NC(=O)c3ccc(=O)n(CC(=O)NCc4ccc(F)cc4)c3)cc2[nH+]1 ZINC000019749167 556893218 /nfs/dbraw/zinc/89/32/18/556893218.db2.gz JGSPZPHNEQSNBP-UHFFFAOYSA-N 1 2 433.443 2.741 40 0 IFABLO Cc1[nH]c2cc(NC(=O)c3ccc(=O)n(CC(=O)NCc4ccc(F)cc4)c3)ccc2[nH+]1 ZINC000019749167 556893221 /nfs/dbraw/zinc/89/32/21/556893221.db2.gz JGSPZPHNEQSNBP-UHFFFAOYSA-N 1 2 433.443 2.741 40 0 IFABLO CCn1c(C[NH+]2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)nc2ccccc21 ZINC000072338932 556911380 /nfs/dbraw/zinc/91/13/80/556911380.db2.gz DNAZZJRQIHAJSX-JOCHJYFZSA-N 1 2 425.558 2.998 40 0 IFABLO Cc1ncc(C(=O)NCc2ccc(F)cc2)c([C@H]2CCCC[N@@H+]2CC(=O)N2CCC2)n1 ZINC000019767059 556912140 /nfs/dbraw/zinc/91/21/40/556912140.db2.gz NGMNEPLGMXWKSA-HXUWFJFHSA-N 1 2 425.508 2.613 40 0 IFABLO Cc1ncc(C(=O)NCc2ccc(F)cc2)c([C@H]2CCCC[N@H+]2CC(=O)N2CCC2)n1 ZINC000019767059 556912144 /nfs/dbraw/zinc/91/21/44/556912144.db2.gz NGMNEPLGMXWKSA-HXUWFJFHSA-N 1 2 425.508 2.613 40 0 IFABLO Cc1nc(C)c(C(=O)N2CCC[C@@H](c3ccc(C(=O)N4CC[NH+](C)CC4)cn3)C2)s1 ZINC000019767366 556912502 /nfs/dbraw/zinc/91/25/02/556912502.db2.gz UGAUXMQZWYBGOP-GOSISDBHSA-N 1 2 427.574 2.562 40 0 IFABLO O=C(C[C@@H]1C(=O)N(CCCn2cc[nH+]c2)c2nc3ccccc3n21)NCCc1ccccc1 ZINC000019819505 556922946 /nfs/dbraw/zinc/92/29/46/556922946.db2.gz KYXBJXZLPPPVLA-JOCHJYFZSA-N 1 2 442.523 2.960 40 0 IFABLO Cn1c2ccccc2n(Cc2cc(NCC3(c4ccccc4)CCOCC3)nc(N)[nH+]2)c1=O ZINC000072373328 556946275 /nfs/dbraw/zinc/94/62/75/556946275.db2.gz BRAWCJDMCVBDDJ-UHFFFAOYSA-N 1 2 444.539 2.921 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)CC1 ZINC000020766554 557128300 /nfs/dbraw/zinc/12/83/00/557128300.db2.gz YBQRTKGAZARKOA-UHFFFAOYSA-N 1 2 433.961 2.869 40 0 IFABLO CCCCCn1c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000096306419 557195848 /nfs/dbraw/zinc/19/58/48/557195848.db2.gz NFLUCWRIJBNGIH-UHFFFAOYSA-N 1 2 444.967 2.589 40 0 IFABLO CCCC(=O)N1CCc2nc3cc(C4CC[NH+](Cc5ccncc5)CC4)[nH]n3c(=O)c2C1 ZINC000100232657 557249898 /nfs/dbraw/zinc/24/98/98/557249898.db2.gz JSKOKSZHJQNQBP-UHFFFAOYSA-N 1 2 434.544 2.894 40 0 IFABLO O=C(C1CC1)N1CCc2nc3cc(C4CC[NH+](Cc5cccnc5)CC4)[nH]n3c(=O)c2C1 ZINC000100232603 557249913 /nfs/dbraw/zinc/24/99/13/557249913.db2.gz NTEBRMZGOKZUEY-UHFFFAOYSA-N 1 2 432.528 2.504 40 0 IFABLO COCC(=O)N1CCc2nc3cc(C4CC[NH+](C[C@@H]5CC=CCC5)CC4)[nH]n3c(=O)c2C1 ZINC000100232675 557250157 /nfs/dbraw/zinc/25/01/57/557250157.db2.gz PLGGCBJURDIRMG-QGZVFWFLSA-N 1 2 439.560 2.502 40 0 IFABLO CC(C)(C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCOCC2)CC4)C1 ZINC000100233633 557250302 /nfs/dbraw/zinc/25/03/02/557250302.db2.gz PEPVHGJNVGBOSM-INIZCTEOSA-N 1 2 441.576 2.724 40 0 IFABLO CC(C)(C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCOCC2)CC4)C1 ZINC000100233633 557250308 /nfs/dbraw/zinc/25/03/08/557250308.db2.gz PEPVHGJNVGBOSM-INIZCTEOSA-N 1 2 441.576 2.724 40 0 IFABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(O)CC3)c(=O)[nH]c2c1C ZINC000057589663 557250394 /nfs/dbraw/zinc/25/03/94/557250394.db2.gz XQZTVKRSVGRUOF-HSZRJFAPSA-N 1 2 444.539 2.726 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)CC1 ZINC000219973490 557273546 /nfs/dbraw/zinc/27/35/46/557273546.db2.gz BRSGERMLCFOISD-QFIPXVFZSA-N 1 2 427.570 2.571 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)CC1 ZINC000219973400 557273590 /nfs/dbraw/zinc/27/35/90/557273590.db2.gz BRSGERMLCFOISD-JOCHJYFZSA-N 1 2 427.570 2.571 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC(Cc4ccccc4)CC3)c2)CC1 ZINC000219973734 557273620 /nfs/dbraw/zinc/27/36/20/557273620.db2.gz KNGQCNIVCAYFRG-UHFFFAOYSA-N 1 2 441.597 2.718 40 0 IFABLO Cc1cc(N2CCN(CC[NH+]3CCOCC3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000022931168 557274751 /nfs/dbraw/zinc/27/47/51/557274751.db2.gz IZMLHDMEQGFFAQ-UHFFFAOYSA-N 1 2 440.979 2.812 40 0 IFABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000220009894 557277161 /nfs/dbraw/zinc/27/71/61/557277161.db2.gz LAYFPFFPDUCLPU-QFIPXVFZSA-N 1 2 427.570 2.739 40 0 IFABLO COc1cc([C@@H]2[NH+]=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)ccc1OCCC(C)C ZINC000104279766 557323928 /nfs/dbraw/zinc/32/39/28/557323928.db2.gz ZZXJNMJWMJUKSF-OAQYLSRUSA-N 1 2 441.532 2.646 40 0 IFABLO Cc1cccc(C[N@@H+]2C[C@@H]3c4nc(N5CCC[C@@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC000107260542 557336289 /nfs/dbraw/zinc/33/62/89/557336289.db2.gz JOJUSWBOVWXJML-JRGCBEDISA-N 1 2 426.586 2.918 40 0 IFABLO Cc1cccc(C[N@H+]2C[C@@H]3c4nc(N5CCC[C@@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC000107260542 557336290 /nfs/dbraw/zinc/33/62/90/557336290.db2.gz JOJUSWBOVWXJML-JRGCBEDISA-N 1 2 426.586 2.918 40 0 IFABLO COC(=O)C1=C(C[NH2+]Cc2ccccc2Cl)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000013566247 557344187 /nfs/dbraw/zinc/34/41/87/557344187.db2.gz KIIAATQUOCCMIB-FQEVSTJZSA-N 1 2 445.903 2.928 40 0 IFABLO COC(=O)C1C(C[NH2+]Cc2ccccc2Cl)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000013566247 557344190 /nfs/dbraw/zinc/34/41/90/557344190.db2.gz KIIAATQUOCCMIB-FQEVSTJZSA-N 1 2 445.903 2.928 40 0 IFABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000222922727 557403371 /nfs/dbraw/zinc/40/33/71/557403371.db2.gz OZESBRFMNDAHHB-FQEVSTJZSA-N 1 2 441.547 2.624 40 0 IFABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1CC[NH+]1CCOCC1 ZINC000223126938 557435482 /nfs/dbraw/zinc/43/54/82/557435482.db2.gz APORXRLDGGUEEX-YADHBBJMSA-N 1 2 434.569 2.572 40 0 IFABLO Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)n1-c1cccnc1 ZINC000223134136 557436893 /nfs/dbraw/zinc/43/68/93/557436893.db2.gz AOSVNYYXTIDCSH-GOTSBHOMSA-N 1 2 448.596 2.880 40 0 IFABLO CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223548400 557484445 /nfs/dbraw/zinc/48/44/45/557484445.db2.gz YBFJJAPUAFTYRM-DEOSSOPVSA-N 1 2 439.556 2.624 40 0 IFABLO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000224250288 557581241 /nfs/dbraw/zinc/58/12/41/557581241.db2.gz KYOUAJVICVJNRC-UHFFFAOYSA-N 1 2 437.949 2.561 40 0 IFABLO CCc1ccc(CC)c(CNC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000224769994 557649979 /nfs/dbraw/zinc/64/99/79/557649979.db2.gz BMDRDBPREYZFPI-UHFFFAOYSA-N 1 2 443.613 2.819 40 0 IFABLO CCc1ccc(CC)c(CNC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000225731711 557769999 /nfs/dbraw/zinc/76/99/99/557769999.db2.gz JTLICVOCQQIHNX-UHFFFAOYSA-N 1 2 429.586 2.678 40 0 IFABLO O=C(COc1ccc(C[NH+]2CCOCC2)cc1)N1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000257201724 568665763 /nfs/dbraw/zinc/66/57/63/568665763.db2.gz AITVQXXZIXASIV-QHCPKHFHSA-N 1 2 447.539 2.842 40 0 IFABLO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)CCc3nc4cc(Cl)ccc4[nH]3)C2)nc[nH+]1 ZINC000257204891 568667656 /nfs/dbraw/zinc/66/76/56/568667656.db2.gz AWSRHOKQKYQSKN-QFIPXVFZSA-N 1 2 442.951 2.737 40 0 IFABLO CNC(=O)c1cccc([C@H]2CN(CC(=O)Nc3ccccc3C(F)(F)F)CC[N@@H+]2C)c1 ZINC000257221833 568675297 /nfs/dbraw/zinc/67/52/97/568675297.db2.gz DQSDTIPBUKRWFV-LJQANCHMSA-N 1 2 434.462 2.992 40 0 IFABLO CNC(=O)c1cccc([C@H]2CN(CC(=O)Nc3ccccc3C(F)(F)F)CC[N@H+]2C)c1 ZINC000257221833 568675298 /nfs/dbraw/zinc/67/52/98/568675298.db2.gz DQSDTIPBUKRWFV-LJQANCHMSA-N 1 2 434.462 2.992 40 0 IFABLO COc1ccc([C@@H]2CN(CC(=O)Nc3cc(OC)ccc3NC(C)=O)CC[N@@H+]2C)cc1 ZINC000257253294 568690094 /nfs/dbraw/zinc/69/00/94/568690094.db2.gz JYHQBPKAFLUZNW-QFIPXVFZSA-N 1 2 426.517 2.589 40 0 IFABLO COc1ccc([C@@H]2CN(CC(=O)Nc3cc(OC)ccc3NC(C)=O)CC[N@H+]2C)cc1 ZINC000257253294 568690098 /nfs/dbraw/zinc/69/00/98/568690098.db2.gz JYHQBPKAFLUZNW-QFIPXVFZSA-N 1 2 426.517 2.589 40 0 IFABLO Cc1ccc(F)cc1NC(=O)C[NH+]1CCC2(CC1)CCC(C)(C)N(S(C)(=O)=O)C2 ZINC000257332186 568725460 /nfs/dbraw/zinc/72/54/60/568725460.db2.gz XWECLSMCMVMOFO-UHFFFAOYSA-N 1 2 425.570 2.989 40 0 IFABLO Cc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2[nH]ncc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257336604 568727013 /nfs/dbraw/zinc/72/70/13/568727013.db2.gz YPEMJICHJVQSCN-FQEVSTJZSA-N 1 2 434.544 2.983 40 0 IFABLO CN(C)S(=O)(=O)N1CC[C@@H](c2n[nH]cc2-c2cc[nH+]c(NCc3ccccc3)c2)C1 ZINC000257339272 568728172 /nfs/dbraw/zinc/72/81/72/568728172.db2.gz ZAZXEIRXQJORKQ-GOSISDBHSA-N 1 2 426.546 2.680 40 0 IFABLO Cc1cc(Nc2nncs2)cc([C@@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)[nH+]1 ZINC000257340572 568728667 /nfs/dbraw/zinc/72/86/67/568728667.db2.gz ZGSSQTGMKBIXIH-IBGZPJMESA-N 1 2 439.497 2.970 40 0 IFABLO COc1ccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c(OC)c1 ZINC000261361972 568733073 /nfs/dbraw/zinc/73/30/73/568733073.db2.gz BNESWXRFWHUGOC-FQEVSTJZSA-O 1 2 425.490 2.789 40 0 IFABLO Cc1cc(C(=O)N2C[C@@H](c3cn(C(C)C)c[nH+]3)[C@@]3(CCN(Cc4ccncc4)C3=O)C2)no1 ZINC000306130648 568766139 /nfs/dbraw/zinc/76/61/39/568766139.db2.gz JMEMYDLXNVQWOS-YADARESESA-N 1 2 448.527 2.814 40 0 IFABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccncc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306131631 568766825 /nfs/dbraw/zinc/76/68/25/568766825.db2.gz KKPGPEYCTZFDGS-OFVILXPXSA-N 1 2 444.539 2.913 40 0 IFABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccncc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306131633 568766977 /nfs/dbraw/zinc/76/69/77/568766977.db2.gz KKPGPEYCTZFDGS-SQJMNOBHSA-N 1 2 444.539 2.913 40 0 IFABLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NCc3cccs3)cn21 ZINC000306142727 568773003 /nfs/dbraw/zinc/77/30/03/568773003.db2.gz XHNIPJHKZDPRRU-FQEVSTJZSA-N 1 2 447.568 2.605 40 0 IFABLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NCc3cccs3)cn21 ZINC000306142727 568773004 /nfs/dbraw/zinc/77/30/04/568773004.db2.gz XHNIPJHKZDPRRU-FQEVSTJZSA-N 1 2 447.568 2.605 40 0 IFABLO Cc1cccc(C[N@@H+]2C[C@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccn4)[C@H]3C2)c1 ZINC000306143249 568773185 /nfs/dbraw/zinc/77/31/85/568773185.db2.gz XXCLNCGGWFMQGK-LEWJYISDSA-N 1 2 436.537 2.621 40 0 IFABLO Cc1cccc(C[N@H+]2C[C@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccn4)[C@H]3C2)c1 ZINC000306143249 568773186 /nfs/dbraw/zinc/77/31/86/568773186.db2.gz XXCLNCGGWFMQGK-LEWJYISDSA-N 1 2 436.537 2.621 40 0 IFABLO C[C@H](CO)Nc1nc(Nc2ccc(I)cc2Cl)cc(C2CC2)[nH+]1 ZINC000328974776 568808168 /nfs/dbraw/zinc/80/81/68/568808168.db2.gz FGNVYAWODZUIAO-SECBINFHSA-N 1 2 444.704 2.992 40 0 IFABLO C[C@H](CO)Nc1nc(NCCc2ccncc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329023923 568809598 /nfs/dbraw/zinc/80/95/98/568809598.db2.gz OWJFBMHOOHWDRU-CQSZACIVSA-N 1 2 433.434 2.728 40 0 IFABLO OCCCNc1nc(NCCc2ccncc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329068306 568810977 /nfs/dbraw/zinc/81/09/77/568810977.db2.gz YOTKSJNWENWIPP-UHFFFAOYSA-N 1 2 433.434 2.730 40 0 IFABLO CCOC(=O)[C@]1(C)[NH2+][C@H](c2sccc2C)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 ZINC000245229820 569205287 /nfs/dbraw/zinc/20/52/87/569205287.db2.gz GOVUQBBUCNXHLN-ACTFIFLWSA-N 1 2 428.510 2.837 40 0 IFABLO CN(C(=O)C[N@@H+]1CCO[C@]2(C1)CC=CCN(Cc1ccccc1)C2=O)C1CCCCC1 ZINC000019704265 569233134 /nfs/dbraw/zinc/23/31/34/569233134.db2.gz MTRSCBUJXAQLKK-VWLOTQADSA-N 1 2 425.573 2.837 40 0 IFABLO CN(C(=O)C[N@H+]1CCO[C@]2(C1)CC=CCN(Cc1ccccc1)C2=O)C1CCCCC1 ZINC000019704265 569233135 /nfs/dbraw/zinc/23/31/35/569233135.db2.gz MTRSCBUJXAQLKK-VWLOTQADSA-N 1 2 425.573 2.837 40 0 IFABLO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]3F)nc2c1 ZINC000096112377 291344241 /nfs/dbraw/zinc/34/42/41/291344241.db2.gz QFXKLXKIRNITRU-QRWLVFNGSA-N 1 2 427.432 2.817 40 0 biogenic,in-vitro IFABLO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]3F)nc2c1 ZINC000096112377 291344244 /nfs/dbraw/zinc/34/42/44/291344244.db2.gz QFXKLXKIRNITRU-QRWLVFNGSA-N 1 2 427.432 2.817 40 0 biogenic,in-vitro IFABLO COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000253401431 291346210 /nfs/dbraw/zinc/34/62/10/291346210.db2.gz MXDKTJHCVDJPIP-HNNXBMFYSA-N 1 2 438.484 2.770 40 0 biogenic,in-vitro IFABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(OC)ccc3[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000006239815 193893642 /nfs/dbraw/zinc/89/36/42/193893642.db2.gz ZQRGELSKWDOEAX-JOCHJYFZSA-N 1 2 446.511 2.765 40 0 IFABLO CN(C)c1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)[N@H+](C)C2)cc1 ZINC000020464376 522154301 /nfs/dbraw/zinc/15/43/01/522154301.db2.gz RCBDXAJQJUGFRV-WMZOPIPTSA-N 1 2 435.484 2.707 40 0 biogenic,in-vitro IFABLO CN(C)c1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)[N@@H+](C)C2)cc1 ZINC000020464376 522154310 /nfs/dbraw/zinc/15/43/10/522154310.db2.gz RCBDXAJQJUGFRV-WMZOPIPTSA-N 1 2 435.484 2.707 40 0 biogenic,in-vitro IFABLO CCn1nc(C)c(C[NH+]2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)c1C ZINC000036616625 523640605 /nfs/dbraw/zinc/64/06/05/523640605.db2.gz QPQVTFUIVGTLAS-UHFFFAOYSA-N 1 2 435.576 2.945 40 0 IFABLO CCc1c(C)sc(NC(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1C(N)=O ZINC000022587119 523717200 /nfs/dbraw/zinc/71/72/00/523717200.db2.gz DZLMGHIHGMIRGI-JXMROGBWSA-N 1 2 426.586 2.987 40 0 IFABLO COc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)cc1Cl ZINC000020450820 524361053 /nfs/dbraw/zinc/36/10/53/524361053.db2.gz LRRCXAGEUMDVQX-UHFFFAOYSA-N 1 2 448.932 2.617 40 0 IFABLO Cc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)cc1Cl ZINC000020492588 524893333 /nfs/dbraw/zinc/89/33/33/524893333.db2.gz FPZTVALFRKFTNA-UHFFFAOYSA-N 1 2 432.933 2.917 40 0 IFABLO COc1cccc(OC)c1OCCN1CC[NH+](CCOc2c(OC)cccc2OC)CC1 ZINC000022581244 526223356 /nfs/dbraw/zinc/22/33/56/526223356.db2.gz JISAGXABLBLWAH-UHFFFAOYSA-N 1 2 446.544 2.796 40 0 IFABLO O=C(N[C@@H]1CCc2ccc(S(=O)(=O)NCCNc3cccc[nH+]3)cc21)C1CCCC1 ZINC000072345867 526957464 /nfs/dbraw/zinc/95/74/64/526957464.db2.gz CUROWRDPUXWNAH-HXUWFJFHSA-N 1 2 428.558 2.766 40 0 IFABLO Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3cc[nH+]c3)cc2)c1 ZINC000408592189 555953586 /nfs/dbraw/zinc/95/35/86/555953586.db2.gz KMAGIESOYGIPMJ-UHFFFAOYSA-N 1 2 442.541 2.886 40 0 IFABLO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408597769 555956026 /nfs/dbraw/zinc/95/60/26/555956026.db2.gz YBEYANUYNFGPKZ-HXUWFJFHSA-N 1 2 426.542 2.644 40 0 IFABLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3cc[nH+]c3)c(C)c2)cc1 ZINC000408594391 555960794 /nfs/dbraw/zinc/96/07/94/555960794.db2.gz QFUDQBXEVGCCCO-UHFFFAOYSA-N 1 2 442.541 2.886 40 0 IFABLO O=C(Nc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)N1CCCC1 ZINC000408595209 555961336 /nfs/dbraw/zinc/96/13/36/555961336.db2.gz UHQOETVJEMWEDQ-UHFFFAOYSA-N 1 2 428.558 2.821 40 0 IFABLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3cc[nH+]c3)cc2)cc1C ZINC000408597498 555965450 /nfs/dbraw/zinc/96/54/50/555965450.db2.gz XAYGARFVUAUEGT-UHFFFAOYSA-N 1 2 442.541 2.886 40 0 IFABLO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C(=O)N1CCCC1 ZINC000408612831 555977973 /nfs/dbraw/zinc/97/79/73/555977973.db2.gz ZCPRWRZAHZDMMP-UHFFFAOYSA-N 1 2 427.570 2.738 40 0 IFABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)Cc2cccc(C)c2)cc1 ZINC000408617635 555988674 /nfs/dbraw/zinc/98/86/74/555988674.db2.gz CBFIJPCYWURAMU-UHFFFAOYSA-N 1 2 440.569 2.897 40 0 IFABLO CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000408621338 555990123 /nfs/dbraw/zinc/99/01/23/555990123.db2.gz RLWWECAYESNKSW-UHFFFAOYSA-N 1 2 442.541 2.684 40 0 IFABLO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H](C(=O)OCC)C3)C2=O)cc1 ZINC000037100414 556440323 /nfs/dbraw/zinc/44/03/23/556440323.db2.gz FCYOHSVNGFHIEL-PKOBYXMFSA-N 1 2 430.501 2.551 40 0 IFABLO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@H](C(=O)OCC)C3)C2=O)cc1 ZINC000037100414 556440326 /nfs/dbraw/zinc/44/03/26/556440326.db2.gz FCYOHSVNGFHIEL-PKOBYXMFSA-N 1 2 430.501 2.551 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)CC1 ZINC000014908150 556458362 /nfs/dbraw/zinc/45/83/62/556458362.db2.gz OUGLTXLIHDBYKZ-UHFFFAOYSA-N 1 2 442.585 2.865 40 0 IFABLO Cc1cccc(N(Cc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)S(C)(=O)=O)c1 ZINC000013679033 556555662 /nfs/dbraw/zinc/55/56/62/556555662.db2.gz LFOAMAQGHCOMNL-UHFFFAOYSA-N 1 2 426.542 2.978 40 0 IFABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2Cl)cc1 ZINC000038771320 556618882 /nfs/dbraw/zinc/61/88/82/556618882.db2.gz LYNPPVBCKLRDKG-UHFFFAOYSA-N 1 2 437.949 2.511 40 0 IFABLO COc1ccccc1[C@H]1CN(C(=O)c2ccccc2OCCN2CCCC2=O)CC[N@@H+]1C ZINC000257221714 556707742 /nfs/dbraw/zinc/70/77/42/556707742.db2.gz DQFZHUDMNJWXGA-OAQYLSRUSA-N 1 2 437.540 2.825 40 0 IFABLO COc1ccccc1[C@H]1CN(C(=O)c2ccccc2OCCN2CCCC2=O)CC[N@H+]1C ZINC000257221714 556707745 /nfs/dbraw/zinc/70/77/45/556707745.db2.gz DQFZHUDMNJWXGA-OAQYLSRUSA-N 1 2 437.540 2.825 40 0 IFABLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)CC2CCCCC2)CC3)cn1 ZINC000019290693 556730934 /nfs/dbraw/zinc/73/09/34/556730934.db2.gz DBBSGEXATRLORG-OAQYLSRUSA-N 1 2 438.576 2.696 40 0 IFABLO Cn1cc(C[N@H+]2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)CC2CCCCC2)CC3)cn1 ZINC000019290693 556730936 /nfs/dbraw/zinc/73/09/36/556730936.db2.gz DBBSGEXATRLORG-OAQYLSRUSA-N 1 2 438.576 2.696 40 0 IFABLO CCn1cc([C@H](O)C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c2ccccc21 ZINC000019524772 556782021 /nfs/dbraw/zinc/78/20/21/556782021.db2.gz FKIKVFVDDMLMAJ-JOCHJYFZSA-N 1 2 449.523 2.979 40 0 IFABLO Cc1nc(-c2ccccn2)ncc1S(=O)(=O)N1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000019552828 556796495 /nfs/dbraw/zinc/79/64/95/556796495.db2.gz DXKOZARTJXTJCW-SFHVURJKSA-N 1 2 437.569 2.957 40 0 IFABLO COc1ccc(Cn2nnnc2C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccncc3)C2)cc1 ZINC000019556182 556799074 /nfs/dbraw/zinc/79/90/74/556799074.db2.gz VXNWZPRMBMOFJZ-LJQANCHMSA-N 1 2 430.516 2.895 40 0 IFABLO COc1ccc(Cn2nnnc2C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccncc3)C2)cc1 ZINC000019556182 556799077 /nfs/dbraw/zinc/79/90/77/556799077.db2.gz VXNWZPRMBMOFJZ-LJQANCHMSA-N 1 2 430.516 2.895 40 0 IFABLO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@H](O)c3c(C)[nH]c4ccc(F)cc43)CC2)cc1 ZINC000019581433 556819667 /nfs/dbraw/zinc/81/96/67/556819667.db2.gz PUWSBFJMOVHNQK-NRFANRHFSA-N 1 2 447.532 2.664 40 0 IFABLO O=C(Nc1ccccc1F)NC1CC[NH+](Cc2nnnn2Cc2ccc(F)cc2)CC1 ZINC000004388938 556821994 /nfs/dbraw/zinc/82/19/94/556821994.db2.gz PIHLSLLZDWGGBG-UHFFFAOYSA-N 1 2 427.459 2.786 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCO)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000004847558 556823720 /nfs/dbraw/zinc/82/37/20/556823720.db2.gz UYPPZQZMUXWLKX-LJQANCHMSA-N 1 2 428.537 2.614 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCO)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000004847558 556823723 /nfs/dbraw/zinc/82/37/23/556823723.db2.gz UYPPZQZMUXWLKX-LJQANCHMSA-N 1 2 428.537 2.614 40 0 IFABLO COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(OC)cc3[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000006239865 556830498 /nfs/dbraw/zinc/83/04/98/556830498.db2.gz MJGCBUCBNWZCJX-QFIPXVFZSA-N 1 2 446.511 2.765 40 0 IFABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(OC)ccc3[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000006239847 556830679 /nfs/dbraw/zinc/83/06/79/556830679.db2.gz ZQRGELSKWDOEAX-QFIPXVFZSA-N 1 2 446.511 2.765 40 0 IFABLO Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@@H+](Cc1ccccn1)C2 ZINC000019695655 556852176 /nfs/dbraw/zinc/85/21/76/556852176.db2.gz HNNMTPZYEQKUEL-OAQYLSRUSA-N 1 2 432.503 2.894 40 0 IFABLO Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@H+](Cc1ccccn1)C2 ZINC000019695655 556852178 /nfs/dbraw/zinc/85/21/78/556852178.db2.gz HNNMTPZYEQKUEL-OAQYLSRUSA-N 1 2 432.503 2.894 40 0 IFABLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CC[N@H+](Cc1ccc(N3CCCC3=O)cc1)C2 ZINC000019707399 556866875 /nfs/dbraw/zinc/86/68/75/556866875.db2.gz YYWOWMKQSVRXQW-JOCHJYFZSA-N 1 2 448.571 2.887 40 0 IFABLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CC[N@@H+](Cc1ccc(N3CCCC3=O)cc1)C2 ZINC000019707399 556866878 /nfs/dbraw/zinc/86/68/78/556866878.db2.gz YYWOWMKQSVRXQW-JOCHJYFZSA-N 1 2 448.571 2.887 40 0 IFABLO C[NH+]1CCN(C(=O)c2ccc([C@@H]3CCCN3C(=O)CCN3CCc4ccccc43)nc2)CC1 ZINC000019708176 556868400 /nfs/dbraw/zinc/86/84/00/556868400.db2.gz SMXUWAFZJWTNRL-DEOSSOPVSA-N 1 2 447.583 2.586 40 0 IFABLO CN(C)c1nc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)nc2c1C[N@H+](C)CC2 ZINC000019710411 556873116 /nfs/dbraw/zinc/87/31/16/556873116.db2.gz LSGGWNROUGYZKG-FQEVSTJZSA-N 1 2 427.524 2.802 40 0 IFABLO CN(C)c1nc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)nc2c1C[N@@H+](C)CC2 ZINC000019710411 556873121 /nfs/dbraw/zinc/87/31/21/556873121.db2.gz LSGGWNROUGYZKG-FQEVSTJZSA-N 1 2 427.524 2.802 40 0 IFABLO COCCNC(=O)c1cc([C@H]2C[N@H+](Cc3cnc(C)s3)CCO2)nc2ccccc21 ZINC000019762262 556906671 /nfs/dbraw/zinc/90/66/71/556906671.db2.gz DAYDDOILPXGUHV-OAQYLSRUSA-N 1 2 426.542 2.949 40 0 IFABLO COCCNC(=O)c1cc([C@H]2C[N@@H+](Cc3cnc(C)s3)CCO2)nc2ccccc21 ZINC000019762262 556906673 /nfs/dbraw/zinc/90/66/73/556906673.db2.gz DAYDDOILPXGUHV-OAQYLSRUSA-N 1 2 426.542 2.949 40 0 IFABLO CCCn1ncc(C[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)c1C ZINC000072340604 556912590 /nfs/dbraw/zinc/91/25/90/556912590.db2.gz HGELTRIWVPUUCA-JOCHJYFZSA-N 1 2 426.540 2.878 40 0 IFABLO O=C(C[C@H]1C(=O)N(CCCn2cc[nH+]c2)c2nc3ccccc3n21)NCc1ccccc1 ZINC000019819503 556922795 /nfs/dbraw/zinc/92/27/95/556922795.db2.gz ACCLUOCOBSXPAC-NRFANRHFSA-N 1 2 428.496 2.917 40 0 IFABLO COCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C[C@H]2CC=CCC2)CC4)CC1 ZINC000072398761 556970621 /nfs/dbraw/zinc/97/06/21/556970621.db2.gz XTSOBTVJJYMGMF-KRWDZBQOSA-N 1 2 439.560 2.502 40 0 IFABLO COCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C[C@H]2CC=CCC2)CC4)CC1 ZINC000072398761 556970622 /nfs/dbraw/zinc/97/06/22/556970622.db2.gz XTSOBTVJJYMGMF-KRWDZBQOSA-N 1 2 439.560 2.502 40 0 IFABLO Cc1ccc2occ(C[N@H+]3CCc4c(nc(N5C[C@H](C)O[C@@H](C)C5)[nH]c4=O)C3)c(=O)c2c1 ZINC000257202577 556980397 /nfs/dbraw/zinc/98/03/97/556980397.db2.gz AMLRJHOGWVUOPT-HOTGVXAUSA-N 1 2 436.512 2.769 40 0 IFABLO Cc1ccc2occ(C[N@@H+]3CCc4c(nc(N5C[C@H](C)O[C@@H](C)C5)[nH]c4=O)C3)c(=O)c2c1 ZINC000257202577 556980402 /nfs/dbraw/zinc/98/04/02/556980402.db2.gz AMLRJHOGWVUOPT-HOTGVXAUSA-N 1 2 436.512 2.769 40 0 IFABLO CCOC(=O)[C@@]1(C)[NH2+][C@@H](c2sccc2C)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 ZINC000020150880 556991528 /nfs/dbraw/zinc/99/15/28/556991528.db2.gz GOVUQBBUCNXHLN-FSTVOOFJSA-N 1 2 428.510 2.837 40 0 IFABLO Cc1nc(C)c(C[N@@H+]2CCO[C@]3(CO[C@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)s1 ZINC000585102202 557035543 /nfs/dbraw/zinc/03/55/43/557035543.db2.gz PAGSOSKJXZNMNJ-RXVVDRJESA-N 1 2 437.512 2.714 40 0 IFABLO Cc1nc(C)c(C[N@H+]2CCO[C@]3(CO[C@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)s1 ZINC000585102202 557035545 /nfs/dbraw/zinc/03/55/45/557035545.db2.gz PAGSOSKJXZNMNJ-RXVVDRJESA-N 1 2 437.512 2.714 40 0 IFABLO CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](C(=O)OCC)C3)C2=O)cc1 ZINC000101982812 557128020 /nfs/dbraw/zinc/12/80/20/557128020.db2.gz FCYOHSVNGFHIEL-HKUYNNGSSA-N 1 2 430.501 2.551 40 0 IFABLO CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](C(=O)OCC)C3)C2=O)cc1 ZINC000101982812 557128025 /nfs/dbraw/zinc/12/80/25/557128025.db2.gz FCYOHSVNGFHIEL-HKUYNNGSSA-N 1 2 430.501 2.551 40 0 IFABLO Cc1c(Cl)cccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)S(C)(=O)=O ZINC000216247750 557141157 /nfs/dbraw/zinc/14/11/57/557141157.db2.gz GCELGPZZGWOKQY-UHFFFAOYSA-N 1 2 432.933 2.917 40 0 IFABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCC3)cc2c1 ZINC000006196846 557149296 /nfs/dbraw/zinc/14/92/96/557149296.db2.gz LCJVLPGOFNLIJO-NQIIRXRSSA-N 1 2 438.532 2.668 40 0 IFABLO CN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O ZINC000585262195 557201236 /nfs/dbraw/zinc/20/12/36/557201236.db2.gz ZSOXPKHHKJEZBS-JAOKQIQISA-N 1 2 441.572 2.729 40 0 IFABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[NH+]3CCC(O)CC3)cc2c1 ZINC000057594862 557254155 /nfs/dbraw/zinc/25/41/55/557254155.db2.gz OAOSNDOPNKQHME-HXUWFJFHSA-N 1 2 440.548 2.605 40 0 IFABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCCO)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000057643136 557256233 /nfs/dbraw/zinc/25/62/33/557256233.db2.gz WCSAFFQPAYSGKA-UHFFFAOYSA-N 1 2 446.555 2.759 40 0 IFABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000057643136 557256239 /nfs/dbraw/zinc/25/62/39/557256239.db2.gz WCSAFFQPAYSGKA-UHFFFAOYSA-N 1 2 446.555 2.759 40 0 IFABLO CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000013566580 557345125 /nfs/dbraw/zinc/34/51/25/557345125.db2.gz DCGMLKCZSBZHSL-UHFFFAOYSA-N 1 2 438.859 2.528 40 0 IFABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1CC[NH+]1CCOCC1 ZINC000223133608 557436634 /nfs/dbraw/zinc/43/66/34/557436634.db2.gz PEXWSBABAYVLJL-PKTZIBPZSA-N 1 2 448.596 2.631 40 0 IFABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1CC[NH+]1CCOCC1 ZINC000223155740 557439753 /nfs/dbraw/zinc/43/97/53/557439753.db2.gz LOKXHRISPGSPFU-XZOQPEGZSA-N 1 2 448.596 2.631 40 0 IFABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1CCC[NH+]1CCOCC1 ZINC000223169617 557441025 /nfs/dbraw/zinc/44/10/25/557441025.db2.gz PYKSQRXWLFKGSS-XZOQPEGZSA-N 1 2 448.596 2.962 40 0 IFABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1CCC[NH+]1CCOCC1 ZINC000223169735 557441067 /nfs/dbraw/zinc/44/10/67/557441067.db2.gz PYKSQRXWLFKGSS-GOTSBHOMSA-N 1 2 448.596 2.962 40 0 IFABLO C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc2c(c1)CCC2 ZINC000223232532 557448949 /nfs/dbraw/zinc/44/89/49/557448949.db2.gz SGBRCWVXXXRYMW-QGZVFWFLSA-N 1 2 427.570 2.602 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)CC1 ZINC000224928760 557668040 /nfs/dbraw/zinc/66/80/40/557668040.db2.gz LNKLLOBPCXKJCS-UHFFFAOYSA-N 1 2 442.585 2.616 40 0 IFABLO COc1ccc(N(CCCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)cc1 ZINC000225193576 557698530 /nfs/dbraw/zinc/69/85/30/557698530.db2.gz PJJABAYAZVVYJZ-UHFFFAOYSA-N 1 2 442.541 2.744 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NC(C)(C)Cc3ccccc3)cc2)CC1 ZINC000225826349 557781750 /nfs/dbraw/zinc/78/17/50/557781750.db2.gz LFHRPGBIHJFRSB-UHFFFAOYSA-N 1 2 429.586 2.515 40 0 IFABLO c1cncc([C@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000096900875 557838779 /nfs/dbraw/zinc/83/87/79/557838779.db2.gz HOERYMIIMXODNO-HSZRJFAPSA-N 1 2 447.543 2.819 40 0 IFABLO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)CCc3nc4cc(Cl)ccc4[nH]3)C2)nc[nH+]1 ZINC000257204890 568667335 /nfs/dbraw/zinc/66/73/35/568667335.db2.gz AWSRHOKQKYQSKN-JOCHJYFZSA-N 1 2 442.951 2.737 40 0 IFABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccc(F)c(F)c3)n(C)n2)C1 ZINC000257209850 568669735 /nfs/dbraw/zinc/66/97/35/568669735.db2.gz BSEABLRLPDMZTO-JOCHJYFZSA-N 1 2 431.487 2.935 40 0 IFABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(CCOc3ccc(F)c(F)c3)n(C)n2)C1 ZINC000257209850 568669738 /nfs/dbraw/zinc/66/97/38/568669738.db2.gz BSEABLRLPDMZTO-JOCHJYFZSA-N 1 2 431.487 2.935 40 0 IFABLO COc1ccc(C)cc1NC(=O)C[NH+]1CCC2(CC1)CCC(C)(C)N(S(C)(=O)=O)C2 ZINC000257248685 568687888 /nfs/dbraw/zinc/68/78/88/568687888.db2.gz JETQDQFWQCQCOU-UHFFFAOYSA-N 1 2 437.606 2.858 40 0 IFABLO Cc1nonc1CNC(=O)[C@@]1(C)CCCCN1C(=O)CCn1cc[nH+]c1-c1ccccc1 ZINC000257257951 568692315 /nfs/dbraw/zinc/69/23/15/568692315.db2.gz KRTAQLNXFYTFHO-HSZRJFAPSA-N 1 2 436.516 2.719 40 0 IFABLO Cc1cc(C)n(CCNC(=O)[C@]2(C)CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)n1 ZINC000257262323 568694191 /nfs/dbraw/zinc/69/41/91/568694191.db2.gz LKXWIBLYJXETMV-RUZDIDTESA-N 1 2 448.571 2.803 40 0 IFABLO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ncc(Cc3ccccc3)s2)C1 ZINC000257264117 568694936 /nfs/dbraw/zinc/69/49/36/568694936.db2.gz LTAGUFTZAXIZDA-DEOSSOPVSA-N 1 2 449.580 2.847 40 0 IFABLO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3)s2)C1 ZINC000257264117 568694941 /nfs/dbraw/zinc/69/49/41/568694941.db2.gz LTAGUFTZAXIZDA-DEOSSOPVSA-N 1 2 449.580 2.847 40 0 IFABLO C[NH+](C)CC(=O)N1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000257270964 568698238 /nfs/dbraw/zinc/69/82/38/568698238.db2.gz MWITZNGBQDIVFQ-GOSISDBHSA-N 1 2 426.439 2.512 40 0 IFABLO Cc1cc2[nH+]c(CCC(=O)N3C[C@@H](O)[C@H](n4ccc5cc(C(N)=O)ccc54)C3)[nH]c2c(C)c1 ZINC000257280197 568702097 /nfs/dbraw/zinc/70/20/97/568702097.db2.gz OJXGVVLDEPIFDA-NHCUHLMSSA-N 1 2 445.523 2.610 40 0 IFABLO CN(C[C@]1(O)CCN(c2ccnc3cccnc32)C1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000257284339 568704254 /nfs/dbraw/zinc/70/42/54/568704254.db2.gz PCGPTVZYLUYBPC-RUZDIDTESA-N 1 2 442.523 2.588 40 0 IFABLO COc1ccccc1[C@@H]1CN(C(=O)c2cccc(OCC[NH+]3CCOCC3)c2)CCN1C ZINC000257303348 568712785 /nfs/dbraw/zinc/71/27/85/568712785.db2.gz SGVJQDAYYQFOGD-QHCPKHFHSA-N 1 2 439.556 2.535 40 0 IFABLO CC(C)(NC(=O)CCc1ccccc1)C(=O)N1CCOC[C@@H](Cc2ccc3[nH+]ccn3c2)C1 ZINC000257325020 568722296 /nfs/dbraw/zinc/72/22/96/568722296.db2.gz WRCPBWPAMVBQGM-QFIPXVFZSA-N 1 2 448.567 2.879 40 0 IFABLO COc1cccc(OCCc2cc([C@H]3C[N@H+](Cc4cn(C)nc4C)CCO3)nn2C)c1 ZINC000257333448 568725822 /nfs/dbraw/zinc/72/58/22/568725822.db2.gz YBPCOMDKPLFZKL-HSZRJFAPSA-N 1 2 425.533 2.666 40 0 IFABLO COc1cccc(OCCc2cc([C@H]3C[N@@H+](Cc4cn(C)nc4C)CCO3)nn2C)c1 ZINC000257333448 568725824 /nfs/dbraw/zinc/72/58/24/568725824.db2.gz YBPCOMDKPLFZKL-HSZRJFAPSA-N 1 2 425.533 2.666 40 0 IFABLO CC(C)(NC(=O)COc1ccccc1)C(=O)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000257333692 568725948 /nfs/dbraw/zinc/72/59/48/568725948.db2.gz YCQOMUWATWVYRE-FQEVSTJZSA-N 1 2 433.512 2.905 40 0 IFABLO CN(C)S(=O)(=O)N1CC[C@H](c2n[nH]cc2-c2cc[nH+]c(NCc3ccccc3F)c2)C1 ZINC000257338519 568728020 /nfs/dbraw/zinc/72/80/20/568728020.db2.gz YXUMHHBGEGRLHC-KRWDZBQOSA-N 1 2 444.536 2.819 40 0 IFABLO Cc1nc(CN2CC[C@@]3(CN(C(=O)C4CC4)C[C@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306123719 568762714 /nfs/dbraw/zinc/76/27/14/568762714.db2.gz AUPFUFICHNNDLK-AVRDEDQJSA-N 1 2 427.574 2.984 40 0 IFABLO Cc1nc(CN2CC[C@@]3(CN(C(=O)C4CC4)C[C@@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306123720 568762771 /nfs/dbraw/zinc/76/27/71/568762771.db2.gz AUPFUFICHNNDLK-GCJKJVERSA-N 1 2 427.574 2.984 40 0 IFABLO O=C(Cc1ccccc1)N[C@@H]1CCS(=O)(=O)[C@H]2C[N@H+](Cc3ccc(Cl)s3)C[C@@H]21 ZINC000306125254 568763641 /nfs/dbraw/zinc/76/36/41/568763641.db2.gz CKQLWWCUWNDPJQ-KURKYZTESA-N 1 2 439.002 2.748 40 0 IFABLO O=C(Cc1ccccc1)N[C@@H]1CCS(=O)(=O)[C@H]2C[N@@H+](Cc3ccc(Cl)s3)C[C@@H]21 ZINC000306125254 568763644 /nfs/dbraw/zinc/76/36/44/568763644.db2.gz CKQLWWCUWNDPJQ-KURKYZTESA-N 1 2 439.002 2.748 40 0 IFABLO Cc1ccc(-n2nccc2-c2nc(C(=O)NCCCn3cc[nH+]c3)c3cnccn32)cc1 ZINC000306128058 568764897 /nfs/dbraw/zinc/76/48/97/568764897.db2.gz GPAWLJCDKHQRGT-UHFFFAOYSA-N 1 2 426.484 2.907 40 0 IFABLO O=S1(=O)c2cccnc2O[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2N1Cc1ccccc1 ZINC000306142554 568772779 /nfs/dbraw/zinc/77/27/79/568772779.db2.gz XCXKLHHFPLUQKK-RBUKOAKNSA-N 1 2 427.551 2.979 40 0 IFABLO O=S1(=O)c2cccnc2O[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2N1Cc1ccccc1 ZINC000306142554 568772781 /nfs/dbraw/zinc/77/27/81/568772781.db2.gz XCXKLHHFPLUQKK-RBUKOAKNSA-N 1 2 427.551 2.979 40 0 IFABLO c1c([C@@H]2CN(Cc3cccnc3)CC[N@H+]2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306142722 568772961 /nfs/dbraw/zinc/77/29/61/568772961.db2.gz XHLNYFJKLZSBHX-QHCPKHFHSA-N 1 2 432.572 2.835 40 0 IFABLO c1c([C@@H]2CN(Cc3cccnc3)CC[N@@H+]2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306142722 568772962 /nfs/dbraw/zinc/77/29/62/568772962.db2.gz XHLNYFJKLZSBHX-QHCPKHFHSA-N 1 2 432.572 2.835 40 0 IFABLO COCCC(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC000306144012 568773642 /nfs/dbraw/zinc/77/36/42/568773642.db2.gz YTJMKXYSJLHEHT-GCJKJVERSA-N 1 2 445.589 2.610 40 0 IFABLO O=C(NCCCn1cc[nH+]c1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101498701 568844509 /nfs/dbraw/zinc/84/45/09/568844509.db2.gz LOEGQDNMRKFIIN-CALCHBBNSA-N 1 2 438.981 2.828 40 0 IFABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019703266 569232984 /nfs/dbraw/zinc/23/29/84/569232984.db2.gz NUBPTTWQLHLYFD-IBGZPJMESA-N 1 2 441.553 2.909 40 0 IFABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019703266 569232986 /nfs/dbraw/zinc/23/29/86/569232986.db2.gz NUBPTTWQLHLYFD-IBGZPJMESA-N 1 2 441.553 2.909 40 0 IFABLO COc1cccc(C(=O)N2CC[C@H](c3ccnc4c(C[NH+]5CCOCC5)c(C)nn43)C2)c1 ZINC000019707920 569234529 /nfs/dbraw/zinc/23/45/29/569234529.db2.gz KGESCDLTRFURAZ-IBGZPJMESA-N 1 2 435.528 2.508 40 0 IFABLO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000020358148 569361806 /nfs/dbraw/zinc/36/18/06/569361806.db2.gz JKBMCKGAWQMYHU-ACTFIFLWSA-N 1 2 425.847 2.910 40 0 IFABLO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000020358148 569361807 /nfs/dbraw/zinc/36/18/07/569361807.db2.gz JKBMCKGAWQMYHU-ACTFIFLWSA-N 1 2 425.847 2.910 40 0 IFABLO CC1=C[C@@H](CNC(=O)c2cccnc2)[C@H](C(C)C)C[C@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000030879996 291341980 /nfs/dbraw/zinc/34/19/80/291341980.db2.gz YZPZQSPMXUTTEB-VABKMULXSA-N 1 2 442.604 2.505 40 0 biogenic,in-vitro IFABLO CCOC(=O)C1=C(C[NH2+]Cc2ccccc2F)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000020518229 520520184 /nfs/dbraw/zinc/52/01/84/520520184.db2.gz QZFLRQOUMVQHIF-HXUWFJFHSA-N 1 2 427.432 2.515 40 0 IFABLO CCOC(=O)CN1CC[NH+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022581206 520777888 /nfs/dbraw/zinc/77/78/88/520777888.db2.gz NHVFSUCUTDFZHA-QHCPKHFHSA-N 1 2 429.948 2.726 40 0 IFABLO CCOC(=O)[C@]1(C)[NH2+][C@@H](c2sccc2C)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 ZINC000012635641 521353994 /nfs/dbraw/zinc/35/39/94/521353994.db2.gz GOVUQBBUCNXHLN-QNFHRHJVSA-N 1 2 428.510 2.837 40 0 IFABLO COC(=O)[C@@H]1Cc2[nH+]cn(C(C)C)c2CN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012530297 523807964 /nfs/dbraw/zinc/80/79/64/523807964.db2.gz PDLLLAKBQZOIGB-HNNXBMFYSA-N 1 2 431.436 2.771 40 0 biogenic,in-vitro IFABLO C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000020452326 524206107 /nfs/dbraw/zinc/20/61/07/524206107.db2.gz SJBHCQMSUPJXFI-HNNXBMFYSA-N 1 2 432.933 2.997 40 0 IFABLO COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012466427 525639957 /nfs/dbraw/zinc/63/99/57/525639957.db2.gz SUAOACBKXJPNLK-FYINFDKHSA-N 1 2 438.532 2.524 40 0 IFABLO COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012466427 525639966 /nfs/dbraw/zinc/63/99/66/525639966.db2.gz SUAOACBKXJPNLK-FYINFDKHSA-N 1 2 438.532 2.524 40 0 IFABLO CCC[NH2+]CC(=O)O[C@@]1(CC)c2cc3n(c(=O)c2COC1=O)Cc1cc2ccccc2nc1-3 ZINC000001609315 555705659 /nfs/dbraw/zinc/70/56/59/555705659.db2.gz WSYVQVSIRSEFSJ-VWLOTQADSA-N 1 2 447.491 2.630 40 0 IFABLO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000408598103 555956619 /nfs/dbraw/zinc/95/66/19/555956619.db2.gz ZVBMDYDUOJNOLJ-ZGBFETHSSA-N 1 2 427.570 2.519 40 0 IFABLO Cc1ccc(CN(CC(=O)NCCCn2cc[nH+]c2)S(=O)(=O)c2ccccc2)cc1 ZINC000408619475 555983765 /nfs/dbraw/zinc/98/37/65/555983765.db2.gz IOEGFSJWQHGGGJ-UHFFFAOYSA-N 1 2 426.542 2.589 40 0 IFABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCCC1)OCO3 ZINC000006445518 556088211 /nfs/dbraw/zinc/08/82/11/556088211.db2.gz KEZJNXYBBDHGKS-OAQYLSRUSA-N 1 2 448.458 2.616 40 0 IFABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCCC1)OCO3 ZINC000006445538 556088248 /nfs/dbraw/zinc/08/82/48/556088248.db2.gz KEZJNXYBBDHGKS-NRFANRHFSA-N 1 2 448.458 2.616 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)CC1 ZINC000014906264 556457949 /nfs/dbraw/zinc/45/79/49/556457949.db2.gz QAEPPNKBKNNZKD-UHFFFAOYSA-N 1 2 443.447 2.774 40 0 IFABLO C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2C[N@H+](Cc3ccc(F)cc3)CCN21 ZINC000514288940 556625047 /nfs/dbraw/zinc/62/50/47/556625047.db2.gz HCWHCAJDMCZNKO-GMAHTHKFSA-N 1 2 431.939 2.872 40 0 biogenic,in-vitro IFABLO C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCN21 ZINC000514288940 556625049 /nfs/dbraw/zinc/62/50/49/556625049.db2.gz HCWHCAJDMCZNKO-GMAHTHKFSA-N 1 2 431.939 2.872 40 0 biogenic,in-vitro IFABLO CC(=O)N1CCc2c(=O)[nH]c([C@H]3CCC[N@@H+]3Cc3cccc(Oc4ncccn4)c3)nc2C1 ZINC000019019046 556692983 /nfs/dbraw/zinc/69/29/83/556692983.db2.gz VTEUJFLRIXKZDS-OAQYLSRUSA-N 1 2 446.511 2.594 40 0 IFABLO CC(=O)N1CCc2c(=O)[nH]c([C@H]3CCC[N@H+]3Cc3cccc(Oc4ncccn4)c3)nc2C1 ZINC000019019046 556692985 /nfs/dbraw/zinc/69/29/85/556692985.db2.gz VTEUJFLRIXKZDS-OAQYLSRUSA-N 1 2 446.511 2.594 40 0 IFABLO CC(=O)N1Cc2cc(C)ccc2OC2(CC[NH+](CC(=O)NCc3cccs3)CC2)C1 ZINC000019219534 556713990 /nfs/dbraw/zinc/71/39/90/556713990.db2.gz HABUHWHWDLYWSH-UHFFFAOYSA-N 1 2 427.570 2.948 40 0 IFABLO O=C(CN1N=C(c2ccccc2)Cn2c3ccsc3cc2C1=O)NCCCn1cc[nH+]c1 ZINC000019369825 556747352 /nfs/dbraw/zinc/74/73/52/556747352.db2.gz CPYCGLINFSSVTB-UHFFFAOYSA-N 1 2 446.536 2.966 40 0 IFABLO COc1cc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc(OC)c1O ZINC000019453669 556764377 /nfs/dbraw/zinc/76/43/77/556764377.db2.gz OXTKGLYBPIRBEQ-UHFFFAOYSA-N 1 2 428.533 2.718 40 0 IFABLO COc1cc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc(OC)c1O ZINC000019453669 556764381 /nfs/dbraw/zinc/76/43/81/556764381.db2.gz OXTKGLYBPIRBEQ-UHFFFAOYSA-N 1 2 428.533 2.718 40 0 IFABLO COc1cc2cc([C@H](c3nnnn3C(C)(C)C)[NH+]3CCCCC3)c(=O)[nH]c2cc1OC ZINC000001222816 556768294 /nfs/dbraw/zinc/76/82/94/556768294.db2.gz KQRFKRWOEUGMQT-LJQANCHMSA-N 1 2 426.521 2.862 40 0 IFABLO CCn1cc([C@H](O)C[NH+]2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c2ccccc21 ZINC000019524774 556782042 /nfs/dbraw/zinc/78/20/42/556782042.db2.gz ZMHZMNZFSVWEQE-HSZRJFAPSA-N 1 2 443.569 2.710 40 0 IFABLO CCc1nnc(NC(=O)CSc2nnc(CCc3[nH]c4ccccc4[nH+]3)n2C)s1 ZINC000006530341 556838460 /nfs/dbraw/zinc/83/84/60/556838460.db2.gz FGJIWVPVKJDONB-UHFFFAOYSA-N 1 2 428.547 2.621 40 0 IFABLO COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@H]1CCCC[N@@H+]1CC(=O)N(C)C ZINC000019694816 556850972 /nfs/dbraw/zinc/85/09/72/556850972.db2.gz LSDOFGAFQMZJOC-QGZVFWFLSA-N 1 2 427.549 2.842 40 0 IFABLO COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@H]1CCCC[N@H+]1CC(=O)N(C)C ZINC000019694816 556850975 /nfs/dbraw/zinc/85/09/75/556850975.db2.gz LSDOFGAFQMZJOC-QGZVFWFLSA-N 1 2 427.549 2.842 40 0 IFABLO C[NH+]1CCN(C(=O)c2ccc([C@H]3CCCN3C(=O)CCN3CCc4ccccc43)nc2)CC1 ZINC000019708178 556868371 /nfs/dbraw/zinc/86/83/71/556868371.db2.gz SMXUWAFZJWTNRL-XMMPIXPASA-N 1 2 447.583 2.586 40 0 IFABLO CNc1nc([C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)nc2c1C[N@H+](C)CC2 ZINC000019710533 556873732 /nfs/dbraw/zinc/87/37/32/556873732.db2.gz FHDGWEZPGXGRRG-IBGZPJMESA-N 1 2 443.617 2.648 40 0 IFABLO CNc1nc([C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710533 556873734 /nfs/dbraw/zinc/87/37/34/556873734.db2.gz FHDGWEZPGXGRRG-IBGZPJMESA-N 1 2 443.617 2.648 40 0 IFABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)s1 ZINC000019762265 556906545 /nfs/dbraw/zinc/90/65/45/556906545.db2.gz UWPLENSLEDESEQ-NRFANRHFSA-N 1 2 426.542 2.638 40 0 IFABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)s1 ZINC000019762265 556906548 /nfs/dbraw/zinc/90/65/48/556906548.db2.gz UWPLENSLEDESEQ-NRFANRHFSA-N 1 2 426.542 2.638 40 0 IFABLO C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000020045626 556973076 /nfs/dbraw/zinc/97/30/76/556973076.db2.gz QOMNYUKEJUMBEM-HNNXBMFYSA-N 1 2 432.933 2.997 40 0 IFABLO COC(=O)[C@@]1(CCSC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000020150618 556991122 /nfs/dbraw/zinc/99/11/22/556991122.db2.gz FXGOZSQZXFQEMS-IAGYGMIVSA-N 1 2 430.551 2.863 40 0 IFABLO Cc1nc(C)c(C[N@@H+]2CCO[C@]3(CO[C@@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)s1 ZINC000585102201 557035531 /nfs/dbraw/zinc/03/55/31/557035531.db2.gz PAGSOSKJXZNMNJ-NQIIRXRSSA-N 1 2 437.512 2.714 40 0 IFABLO Cc1nc(C)c(C[N@H+]2CCO[C@]3(CO[C@@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)s1 ZINC000585102201 557035533 /nfs/dbraw/zinc/03/55/33/557035533.db2.gz PAGSOSKJXZNMNJ-NQIIRXRSSA-N 1 2 437.512 2.714 40 0 IFABLO Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)cc1C ZINC000216448062 557146678 /nfs/dbraw/zinc/14/66/78/557146678.db2.gz PSEIYOZGPQBLOC-SFHVURJKSA-N 1 2 426.542 2.960 40 0 IFABLO Cc1ccsc1C(=O)N1CCC2(CC1)C(=O)N(c1cnn(C)c1)CC[N@@H+]2CC1CC1 ZINC000096230336 557184495 /nfs/dbraw/zinc/18/44/95/557184495.db2.gz UXQWHSHTCDMBDW-UHFFFAOYSA-N 1 2 427.574 2.524 40 0 IFABLO Cc1ccsc1C(=O)N1CCC2(CC1)C(=O)N(c1cnn(C)c1)CC[N@H+]2CC1CC1 ZINC000096230336 557184500 /nfs/dbraw/zinc/18/45/00/557184500.db2.gz UXQWHSHTCDMBDW-UHFFFAOYSA-N 1 2 427.574 2.524 40 0 IFABLO CC[N@@H+]1CCN(c2ccc(C)nc2)C(=O)C12CCN(C(=O)c1cccc(N(C)C)c1)CC2 ZINC000096230361 557184968 /nfs/dbraw/zinc/18/49/68/557184968.db2.gz DRECKTBNQZQGQD-UHFFFAOYSA-N 1 2 435.572 2.800 40 0 IFABLO CC[N@H+]1CCN(c2ccc(C)nc2)C(=O)C12CCN(C(=O)c1cccc(N(C)C)c1)CC2 ZINC000096230361 557184969 /nfs/dbraw/zinc/18/49/69/557184969.db2.gz DRECKTBNQZQGQD-UHFFFAOYSA-N 1 2 435.572 2.800 40 0 IFABLO Cc1cccc(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4cccc[nH+]4)C[C@@H]3C2)c1 ZINC000096251487 557188973 /nfs/dbraw/zinc/18/89/73/557188973.db2.gz NSSSNHBGUKKJIP-NVQXNPDNSA-N 1 2 448.567 2.608 40 0 IFABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4cccc(F)c4)CCOCC3)CC[N@@H+]2C)c1 ZINC000585261928 557197956 /nfs/dbraw/zinc/19/79/56/557197956.db2.gz WBGJNSKMUSSHPG-JOCHJYFZSA-N 1 2 439.531 2.749 40 0 IFABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4cccc(F)c4)CCOCC3)CC[N@H+]2C)c1 ZINC000585261928 557197960 /nfs/dbraw/zinc/19/79/60/557197960.db2.gz WBGJNSKMUSSHPG-JOCHJYFZSA-N 1 2 439.531 2.749 40 0 IFABLO COCC(=O)N1CCc2c(nc3cc(C4CC[NH+](C[C@H]5CC=CCC5)CC4)[nH]n3c2=O)C1 ZINC000100232746 557249848 /nfs/dbraw/zinc/24/98/48/557249848.db2.gz BZBBCEFWWLIVAI-KRWDZBQOSA-N 1 2 439.560 2.502 40 0 IFABLO CC(C)C(=O)N1CCc2nc3cc(C4CC[NH+](Cc5cccnc5)CC4)[nH]n3c(=O)c2C1 ZINC000100232620 557250045 /nfs/dbraw/zinc/25/00/45/557250045.db2.gz NCGHIOKMWIUMHA-UHFFFAOYSA-N 1 2 434.544 2.750 40 0 IFABLO O=C(C1CC1)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](Cc2ccncc2)CC4)C1 ZINC000100233653 557250624 /nfs/dbraw/zinc/25/06/24/557250624.db2.gz KABCDEAAUUJDFP-SFHVURJKSA-N 1 2 432.528 2.504 40 0 IFABLO O=C(C1CC1)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](Cc2ccncc2)CC4)C1 ZINC000100233653 557250627 /nfs/dbraw/zinc/25/06/27/557250627.db2.gz KABCDEAAUUJDFP-SFHVURJKSA-N 1 2 432.528 2.504 40 0 IFABLO CCC[C@H](c1nnnn1CCOC)[N@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499509 557328537 /nfs/dbraw/zinc/32/85/37/557328537.db2.gz BCPDIBANXRLROL-OAQYLSRUSA-N 1 2 442.564 2.504 40 0 IFABLO CCC[C@H](c1nnnn1CCOC)[N@@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499509 557328541 /nfs/dbraw/zinc/32/85/41/557328541.db2.gz BCPDIBANXRLROL-OAQYLSRUSA-N 1 2 442.564 2.504 40 0 IFABLO Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)nc1 ZINC000223129934 557436205 /nfs/dbraw/zinc/43/62/05/557436205.db2.gz UWBMUORHGXIMDY-GOTSBHOMSA-N 1 2 448.596 2.880 40 0 IFABLO CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223196371 557444871 /nfs/dbraw/zinc/44/48/71/557444871.db2.gz LFCDCVMZWJSJLI-QHCPKHFHSA-N 1 2 441.547 2.624 40 0 IFABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 ZINC000223233340 557449249 /nfs/dbraw/zinc/44/92/49/557449249.db2.gz RXRRNYAFVGHYLF-SFHVURJKSA-N 1 2 441.597 2.911 40 0 IFABLO C[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)cc2)CC1 ZINC000223668365 557499738 /nfs/dbraw/zinc/49/97/38/557499738.db2.gz XUGOSMMZGCASMO-UHFFFAOYSA-N 1 2 443.569 2.979 40 0 IFABLO C[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223889796 557525510 /nfs/dbraw/zinc/52/55/10/557525510.db2.gz LFLXCAZFDPLYPE-CQSZACIVSA-N 1 2 434.468 2.621 40 0 IFABLO Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)cc1 ZINC000224427953 557605310 /nfs/dbraw/zinc/60/53/10/557605310.db2.gz XPRGCSFTYYMGMM-UHFFFAOYSA-N 1 2 426.542 2.832 40 0 IFABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000225487002 557728666 /nfs/dbraw/zinc/72/86/66/557728666.db2.gz DDBKIOKFUKTPME-UHFFFAOYSA-N 1 2 442.516 2.729 40 0 IFABLO CCc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)cc1 ZINC000225776928 557776364 /nfs/dbraw/zinc/77/63/64/557776364.db2.gz OXBVXZQJXKLLNH-SFHVURJKSA-N 1 2 429.586 2.985 40 0 IFABLO CCCn1c[nH+]c2c1CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)[C@H](C(=O)OC)C2 ZINC000015706976 560096741 /nfs/dbraw/zinc/09/67/41/560096741.db2.gz ACKZYWNXSDNHGJ-HNNXBMFYSA-N 1 2 431.436 2.601 40 0 biogenic,in-vitro IFABLO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@@H+]2CC(=O)Nc2nncs2)c1 ZINC000257232049 568679838 /nfs/dbraw/zinc/67/98/38/568679838.db2.gz GJFPBLFUZLODTK-FIKGOQFSSA-N 1 2 429.546 2.750 40 0 IFABLO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@H+]2CC(=O)Nc2nncs2)c1 ZINC000257232049 568679840 /nfs/dbraw/zinc/67/98/40/568679840.db2.gz GJFPBLFUZLODTK-FIKGOQFSSA-N 1 2 429.546 2.750 40 0 IFABLO Cc1ccc(S(=O)(=O)CCC(=O)N2CC[C@@H](c3n[nH]cc3-c3cc[nH+]c(N)c3)C2)cc1 ZINC000257246268 568686797 /nfs/dbraw/zinc/68/67/97/568686797.db2.gz ITJJBMGQVPNNJR-QGZVFWFLSA-N 1 2 439.541 2.542 40 0 IFABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CCc3nc4ccccc4[nH]3)C2)c2cnccc2[nH+]1 ZINC000257253631 568690039 /nfs/dbraw/zinc/69/00/39/568690039.db2.gz JZRBMFUGABMNNL-RUZDIDTESA-N 1 2 444.539 2.847 40 0 IFABLO CNc1nc([C@@H]2CCN(C(=O)C3(c4cccc(C)c4)CCOCC3)C2)nc2c1C[N@H+](C)CC2 ZINC000257254495 568690771 /nfs/dbraw/zinc/69/07/71/568690771.db2.gz KDHHRUQTEBTURZ-LJQANCHMSA-N 1 2 449.599 2.879 40 0 IFABLO CNc1nc([C@@H]2CCN(C(=O)C3(c4cccc(C)c4)CCOCC3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257254495 568690775 /nfs/dbraw/zinc/69/07/75/568690775.db2.gz KDHHRUQTEBTURZ-LJQANCHMSA-N 1 2 449.599 2.879 40 0 IFABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@@H]1Oc1cccc(F)c1 ZINC000257255139 568691100 /nfs/dbraw/zinc/69/11/00/568691100.db2.gz KGGLTQXEXUVXCL-GMAHTHKFSA-N 1 2 430.476 2.830 40 0 IFABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@@H]1Oc1cccc(F)c1 ZINC000257255139 568691102 /nfs/dbraw/zinc/69/11/02/568691102.db2.gz KGGLTQXEXUVXCL-GMAHTHKFSA-N 1 2 430.476 2.830 40 0 IFABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(Cc4ccccc4)CCOCC3)CC[N@@H+]2C)c1 ZINC000257257532 568692131 /nfs/dbraw/zinc/69/21/31/568692131.db2.gz KQAVWZISKVZGKN-QHCPKHFHSA-N 1 2 435.568 2.901 40 0 IFABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(Cc4ccccc4)CCOCC3)CC[N@H+]2C)c1 ZINC000257257532 568692134 /nfs/dbraw/zinc/69/21/34/568692134.db2.gz KQAVWZISKVZGKN-QHCPKHFHSA-N 1 2 435.568 2.901 40 0 IFABLO O=C(C[N@@H+]1CCC[C@]2(C1)C/C=C/Cc1ccccc1OCC(=O)NC2)Nc1nccs1 ZINC000257280261 568702065 /nfs/dbraw/zinc/70/20/65/568702065.db2.gz OKESTMAZCFIFSF-OSFWOZTASA-N 1 2 440.569 2.861 40 0 IFABLO O=C(C[N@H+]1CCC[C@]2(C1)C/C=C/Cc1ccccc1OCC(=O)NC2)Nc1nccs1 ZINC000257280261 568702067 /nfs/dbraw/zinc/70/20/67/568702067.db2.gz OKESTMAZCFIFSF-OSFWOZTASA-N 1 2 440.569 2.861 40 0 IFABLO CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)c2ccccc2C[NH+]2CCCCC2)C1 ZINC000257283857 568703822 /nfs/dbraw/zinc/70/38/22/568703822.db2.gz PADRITBKCMTVBY-GOSISDBHSA-N 1 2 444.601 2.894 40 0 IFABLO CN(C)S(=O)(=O)N1CC[C@@H](c2n[nH]cc2-c2cc[nH+]c(NCc3ccc(F)cc3)c2)C1 ZINC000257289227 568706587 /nfs/dbraw/zinc/70/65/87/568706587.db2.gz PXQGRJRSMQJIRO-QGZVFWFLSA-N 1 2 444.536 2.819 40 0 IFABLO CN1C(=O)N(CC(=O)N2CCC[C@@H]2c2cccc(-n3cc[nH+]c3)n2)C(=O)C12CCCCC2 ZINC000257308290 568714564 /nfs/dbraw/zinc/71/45/64/568714564.db2.gz TWEWXUSPOJLLRF-GOSISDBHSA-N 1 2 436.516 2.528 40 0 IFABLO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)C2)nc[nH+]1 ZINC000257325442 568722567 /nfs/dbraw/zinc/72/25/67/568722567.db2.gz WSYPVSMGXBVHRQ-FQEVSTJZSA-N 1 2 448.449 2.784 40 0 IFABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000261364341 568733442 /nfs/dbraw/zinc/73/34/42/568733442.db2.gz KWKMTKOIJQCAKV-HXUWFJFHSA-O 1 2 437.501 2.949 40 0 IFABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3cccnc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306123056 568762487 /nfs/dbraw/zinc/76/24/87/568762487.db2.gz ADMQFTCXBKCIGN-PXDATVDWSA-N 1 2 444.539 2.913 40 0 IFABLO O=C(Cc1ccccc1)N[C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3ccc(Cl)s3)C[C@H]21 ZINC000306125256 568763715 /nfs/dbraw/zinc/76/37/15/568763715.db2.gz CKQLWWCUWNDPJQ-RCCFBDPRSA-N 1 2 439.002 2.748 40 0 IFABLO O=C(Cc1ccccc1)N[C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccc(Cl)s3)C[C@H]21 ZINC000306125256 568763717 /nfs/dbraw/zinc/76/37/17/568763717.db2.gz CKQLWWCUWNDPJQ-RCCFBDPRSA-N 1 2 439.002 2.748 40 0 IFABLO O=C(Cc1ccccc1)N[C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3ccc(Cl)s3)C[C@@H]21 ZINC000306125255 568763785 /nfs/dbraw/zinc/76/37/85/568763785.db2.gz CKQLWWCUWNDPJQ-KZNAEPCWSA-N 1 2 439.002 2.748 40 0 IFABLO O=C(Cc1ccccc1)N[C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccc(Cl)s3)C[C@@H]21 ZINC000306125255 568763786 /nfs/dbraw/zinc/76/37/86/568763786.db2.gz CKQLWWCUWNDPJQ-KZNAEPCWSA-N 1 2 439.002 2.748 40 0 IFABLO Cc1nc(C[N@H+]2C[C@@H]3C(N4CCC(C(=O)NCc5ccccc5)CC4)=NO[C@@H]3C2)cs1 ZINC000306140062 568771574 /nfs/dbraw/zinc/77/15/74/568771574.db2.gz UILRXKMTJBIQOX-LEWJYISDSA-N 1 2 439.585 2.624 40 0 IFABLO Cc1nc(C[N@@H+]2C[C@@H]3C(N4CCC(C(=O)NCc5ccccc5)CC4)=NO[C@@H]3C2)cs1 ZINC000306140062 568771575 /nfs/dbraw/zinc/77/15/75/568771575.db2.gz UILRXKMTJBIQOX-LEWJYISDSA-N 1 2 439.585 2.624 40 0 IFABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)Cc4ccccc4)CC2)C[N@@H+](C)C3)cc1 ZINC000306141633 568772342 /nfs/dbraw/zinc/77/23/42/568772342.db2.gz WCPJEFZQJJDKKD-UHFFFAOYSA-N 1 2 431.540 2.960 40 0 IFABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)Cc4ccccc4)CC2)C[N@H+](C)C3)cc1 ZINC000306141633 568772344 /nfs/dbraw/zinc/77/23/44/568772344.db2.gz WCPJEFZQJJDKKD-UHFFFAOYSA-N 1 2 431.540 2.960 40 0 IFABLO Cc1ccc2oc(=O)n(CC(=O)N3CCO[C@@H](c4ccc(-c5ccc(N)[nH+]c5)cn4)C3)c2c1 ZINC000019692421 569228043 /nfs/dbraw/zinc/22/80/43/569228043.db2.gz QEYUDTLCQYBFMY-OAQYLSRUSA-N 1 2 445.479 2.542 40 0 IFABLO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(Cc3ccccc3Cl)cn2)C1)N1CCOCC1 ZINC000019692881 569228319 /nfs/dbraw/zinc/22/83/19/569228319.db2.gz LSNOGUVUNSTFMS-JOCHJYFZSA-N 1 2 429.948 2.948 40 0 IFABLO O=C(CC[N@H+]1CCO[C@@H](c2ccc(Cc3ccccc3Cl)cn2)C1)N1CCOCC1 ZINC000019692881 569228321 /nfs/dbraw/zinc/22/83/21/569228321.db2.gz LSNOGUVUNSTFMS-JOCHJYFZSA-N 1 2 429.948 2.948 40 0 IFABLO CCN(c1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)S(C)(=O)=O ZINC000026111483 569242182 /nfs/dbraw/zinc/24/21/82/569242182.db2.gz JMIYUVRFRQQZFH-JXMROGBWSA-N 1 2 427.570 2.944 40 0 IFABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)CC1 ZINC000026120471 569242671 /nfs/dbraw/zinc/24/26/71/569242671.db2.gz BQNXEMRSFBKNKX-UHFFFAOYSA-N 1 2 425.620 2.751 40 0 IFABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019762088 569328933 /nfs/dbraw/zinc/32/89/33/569328933.db2.gz XHLCVYSHAAITPJ-DEOSSOPVSA-N 1 2 435.524 2.847 40 0 IFABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019762088 569328934 /nfs/dbraw/zinc/32/89/34/569328934.db2.gz XHLCVYSHAAITPJ-DEOSSOPVSA-N 1 2 435.524 2.847 40 0 IFABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccc(Br)cc1)CC(=O)N2 ZINC000020635648 527554789 /nfs/dbraw/zinc/55/47/89/527554789.db2.gz YLALCVOXFDNGFV-ZDUSSCGKSA-N 1 2 445.321 2.876 40 0 IFABLO C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCCCn2cc[nH+]c2)cc1)c1ccccc1 ZINC000408590473 555947658 /nfs/dbraw/zinc/94/76/58/555947658.db2.gz HIWUKOOGHFBYRV-GOSISDBHSA-N 1 2 442.541 2.508 40 0 IFABLO O=C(NCCCn1cc[nH+]c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000408591121 555951079 /nfs/dbraw/zinc/95/10/79/555951079.db2.gz IWQFDQNEAMTMSQ-FQEVSTJZSA-N 1 2 446.960 2.633 40 0 IFABLO COc1ccccc1N(CC(=O)NCCCn1cc[nH+]c1)S(=O)(=O)c1ccc(C)cc1 ZINC000408611267 555976784 /nfs/dbraw/zinc/97/67/84/555976784.db2.gz STJSDOGQYRBBPP-UHFFFAOYSA-N 1 2 442.541 2.602 40 0 IFABLO O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000408619149 555982873 /nfs/dbraw/zinc/98/28/73/555982873.db2.gz MLIMCIGZYAWRKM-UHFFFAOYSA-N 1 2 432.933 2.938 40 0 IFABLO Cc1cc(C)cc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000408616853 555988053 /nfs/dbraw/zinc/98/80/53/555988053.db2.gz CKLWVIXLJWVZTI-JXMROGBWSA-N 1 2 441.597 2.927 40 0 IFABLO Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)c1 ZINC000030868025 556512835 /nfs/dbraw/zinc/51/28/35/556512835.db2.gz ZJKGUKKVSRJLGO-SFHVURJKSA-N 1 2 426.542 2.960 40 0 IFABLO O[C@@H]1C[C@H]2C[N@H+](Cc3cccnc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)N2C1 ZINC000514290325 556626544 /nfs/dbraw/zinc/62/65/44/556626544.db2.gz XKBSDZZMVRBENA-LEWJYISDSA-N 1 2 432.490 2.606 40 0 biogenic,in-vitro IFABLO O[C@@H]1C[C@H]2C[N@@H+](Cc3cccnc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)N2C1 ZINC000514290325 556626546 /nfs/dbraw/zinc/62/65/46/556626546.db2.gz XKBSDZZMVRBENA-LEWJYISDSA-N 1 2 432.490 2.606 40 0 biogenic,in-vitro IFABLO CCN(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000039986014 556632408 /nfs/dbraw/zinc/63/24/08/556632408.db2.gz ZOGBMTVYCJZWSK-FMIVXFBMSA-N 1 2 427.570 2.555 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000018088610 556683651 /nfs/dbraw/zinc/68/36/51/556683651.db2.gz DPNRKCNRXAEVHC-UHFFFAOYSA-N 1 2 438.347 2.638 40 0 IFABLO CC(=O)N1CCc2c(=O)[nH]c([C@@H]3CCC[N@@H+]3Cc3cccc(Oc4ncccn4)c3)nc2C1 ZINC000019019042 556693047 /nfs/dbraw/zinc/69/30/47/556693047.db2.gz VTEUJFLRIXKZDS-NRFANRHFSA-N 1 2 446.511 2.594 40 0 IFABLO CC(=O)N1CCc2c(=O)[nH]c([C@@H]3CCC[N@H+]3Cc3cccc(Oc4ncccn4)c3)nc2C1 ZINC000019019042 556693049 /nfs/dbraw/zinc/69/30/49/556693049.db2.gz VTEUJFLRIXKZDS-NRFANRHFSA-N 1 2 446.511 2.594 40 0 IFABLO Cc1ccc(C(=O)N2CCC(c3cc4nc5c(c(=O)n4[nH]3)C[N@H+](C(C)C)CC5)CC2)cn1 ZINC000019214821 556711302 /nfs/dbraw/zinc/71/13/02/556711302.db2.gz ZKOPGXAZJJLEAF-UHFFFAOYSA-N 1 2 434.544 2.925 40 0 IFABLO Cc1ccc(C(=O)N2CCC(c3cc4nc5c(c(=O)n4[nH]3)C[N@@H+](C(C)C)CC5)CC2)cn1 ZINC000019214821 556711307 /nfs/dbraw/zinc/71/13/07/556711307.db2.gz ZKOPGXAZJJLEAF-UHFFFAOYSA-N 1 2 434.544 2.925 40 0 IFABLO Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)CCC(C)(C)N(S(C)(=O)=O)C3)cc1F ZINC000257247610 556711339 /nfs/dbraw/zinc/71/13/39/556711339.db2.gz IZSDWLIXXWICLT-UHFFFAOYSA-N 1 2 425.570 2.989 40 0 IFABLO COc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1 ZINC000000880311 556732063 /nfs/dbraw/zinc/73/20/63/556732063.db2.gz RQXDXNIDTHNEBL-UHFFFAOYSA-N 1 2 436.512 2.903 40 0 IFABLO O=C(C[N@@H+]1CCC[C@@H](c2csnn2)C1)N1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000019368298 556746265 /nfs/dbraw/zinc/74/62/65/556746265.db2.gz YXXCFBMLZDUDKE-CQSZACIVSA-N 1 2 426.521 2.832 40 0 IFABLO O=C(C[N@H+]1CCC[C@@H](c2csnn2)C1)N1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000019368298 556746267 /nfs/dbraw/zinc/74/62/67/556746267.db2.gz YXXCFBMLZDUDKE-CQSZACIVSA-N 1 2 426.521 2.832 40 0 IFABLO O=C(C[N@@H+]1CCC[C@@]2(C1)CNC(=O)c1ccccc1O2)Nc1ccccc1OC(F)F ZINC000019374797 556751075 /nfs/dbraw/zinc/75/10/75/556751075.db2.gz XWZJWCSLBPLWRT-QFIPXVFZSA-N 1 2 431.439 2.884 40 0 IFABLO O=C(C[N@H+]1CCC[C@@]2(C1)CNC(=O)c1ccccc1O2)Nc1ccccc1OC(F)F ZINC000019374797 556751078 /nfs/dbraw/zinc/75/10/78/556751078.db2.gz XWZJWCSLBPLWRT-QFIPXVFZSA-N 1 2 431.439 2.884 40 0 IFABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)CC[C@H]5CCCO5)CC4)[nH]n3c(=O)c2C1 ZINC000019448145 556757536 /nfs/dbraw/zinc/75/75/36/556757536.db2.gz LWKYKXFWPCUQID-GOSISDBHSA-N 1 2 441.576 2.867 40 0 IFABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)CC[C@H]5CCCO5)CC4)[nH]n3c(=O)c2C1 ZINC000019448145 556757539 /nfs/dbraw/zinc/75/75/39/556757539.db2.gz LWKYKXFWPCUQID-GOSISDBHSA-N 1 2 441.576 2.867 40 0 IFABLO COc1cc2cc([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCCCC3)c(=O)[nH]c2cc1OC ZINC000001222817 556768301 /nfs/dbraw/zinc/76/83/01/556768301.db2.gz KQRFKRWOEUGMQT-IBGZPJMESA-N 1 2 426.521 2.862 40 0 IFABLO COc1ccc(OC)c(C[N@@H+](Cc2ccnc(N3CCOCC3)n2)C[C@H]2CCCO2)c1 ZINC000019551400 556795639 /nfs/dbraw/zinc/79/56/39/556795639.db2.gz DYXCRZGQKBJVEV-OAQYLSRUSA-N 1 2 428.533 2.512 40 0 IFABLO COc1ccc(OC)c(C[N@H+](Cc2ccnc(N3CCOCC3)n2)C[C@H]2CCCO2)c1 ZINC000019551400 556795643 /nfs/dbraw/zinc/79/56/43/556795643.db2.gz DYXCRZGQKBJVEV-OAQYLSRUSA-N 1 2 428.533 2.512 40 0 IFABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)c5cccnc5)C4)nc3C2)cc1 ZINC000019555654 556798626 /nfs/dbraw/zinc/79/86/26/556798626.db2.gz VQRQCALWAZSTTO-IBGZPJMESA-N 1 2 445.523 2.774 40 0 IFABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)c5cccnc5)C4)nc3C2)cc1 ZINC000019555654 556798628 /nfs/dbraw/zinc/79/86/28/556798628.db2.gz VQRQCALWAZSTTO-IBGZPJMESA-N 1 2 445.523 2.774 40 0 IFABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)c5ccccn5)C4)nc3C2)cc1 ZINC000019555645 556798752 /nfs/dbraw/zinc/79/87/52/556798752.db2.gz KGQFEEYUUZMBLD-GOSISDBHSA-N 1 2 445.523 2.774 40 0 IFABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)c5ccccn5)C4)nc3C2)cc1 ZINC000019555645 556798756 /nfs/dbraw/zinc/79/87/56/556798756.db2.gz KGQFEEYUUZMBLD-GOSISDBHSA-N 1 2 445.523 2.774 40 0 IFABLO COc1cc(C)c(C[NH+]2CCN(S(=O)(=O)c3c[nH]nc3-c3ccncc3)CC2)cc1C ZINC000019567364 556807547 /nfs/dbraw/zinc/80/75/47/556807547.db2.gz YXXZMCYZIGQLJY-UHFFFAOYSA-N 1 2 441.557 2.604 40 0 IFABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(OC)cc3[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000006239833 556830539 /nfs/dbraw/zinc/83/05/39/556830539.db2.gz MJGCBUCBNWZCJX-JOCHJYFZSA-N 1 2 446.511 2.765 40 0 IFABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCCC1)[NH+]1CCCC1)OCCO3 ZINC000006445219 556833467 /nfs/dbraw/zinc/83/34/67/556833467.db2.gz CBFCJGUFYOBPTM-OAQYLSRUSA-N 1 2 436.516 2.976 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NCCCSc3ccccc3)c2)CC1 ZINC000068789582 556849975 /nfs/dbraw/zinc/84/99/75/556849975.db2.gz GUBLMNPRLXZFGB-UHFFFAOYSA-N 1 2 433.599 2.535 40 0 IFABLO C[NH+]1CCN(C(=O)c2ccc(C3CCN(C(=O)CCc4ccc(F)cc4)CC3)nc2)CC1 ZINC000019708406 556868918 /nfs/dbraw/zinc/86/89/18/556868918.db2.gz RFVGVPPBBKYZDU-UHFFFAOYSA-N 1 2 438.547 2.947 40 0 IFABLO CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)c(C)c2)nc2c1C[N@H+](C)CC2 ZINC000019710248 556872285 /nfs/dbraw/zinc/87/22/85/556872285.db2.gz CVBPHPBFGHMWDL-IBGZPJMESA-N 1 2 433.553 2.870 40 0 IFABLO CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)c(C)c2)nc2c1C[N@@H+](C)CC2 ZINC000019710248 556872289 /nfs/dbraw/zinc/87/22/89/556872289.db2.gz CVBPHPBFGHMWDL-IBGZPJMESA-N 1 2 433.553 2.870 40 0 IFABLO CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)nc2c1C[N@H+](C)CC2 ZINC000019710585 556874084 /nfs/dbraw/zinc/87/40/84/556874084.db2.gz KAXWDRCJFVKRBB-HNNXBMFYSA-N 1 2 433.553 2.522 40 0 IFABLO CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710585 556874087 /nfs/dbraw/zinc/87/40/87/556874087.db2.gz KAXWDRCJFVKRBB-HNNXBMFYSA-N 1 2 433.553 2.522 40 0 IFABLO CCCn1ncc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)c1C ZINC000072340603 556912494 /nfs/dbraw/zinc/91/24/94/556912494.db2.gz HGELTRIWVPUUCA-QFIPXVFZSA-N 1 2 426.540 2.878 40 0 IFABLO O=C(C[C@H]1C(=O)N(CCCn2cc[nH+]c2)c2nc3ccccc3n21)NCCc1ccccc1 ZINC000019819507 556922889 /nfs/dbraw/zinc/92/28/89/556922889.db2.gz KYXBJXZLPPPVLA-QFIPXVFZSA-N 1 2 442.523 2.960 40 0 IFABLO COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2[nH+]c(N3CCCCC3)nc(N)c21 ZINC000019819917 556923377 /nfs/dbraw/zinc/92/33/77/556923377.db2.gz NZDVHQDBIOQXLJ-LBPRGKRZSA-N 1 2 430.896 2.776 40 0 IFABLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1C[N@H+](Cc1ccc(N3CCCC3=O)cc1)CC2 ZINC000072372387 556942559 /nfs/dbraw/zinc/94/25/59/556942559.db2.gz PCJTYDFERDZJGP-QFIPXVFZSA-N 1 2 448.571 2.887 40 0 IFABLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1C[N@@H+](Cc1ccc(N3CCCC3=O)cc1)CC2 ZINC000072372387 556942560 /nfs/dbraw/zinc/94/25/60/556942560.db2.gz PCJTYDFERDZJGP-QFIPXVFZSA-N 1 2 448.571 2.887 40 0 IFABLO O=C(Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000409144011 556975639 /nfs/dbraw/zinc/97/56/39/556975639.db2.gz NTYRUIBBKVSYBF-UHFFFAOYSA-N 1 2 436.497 2.699 40 0 IFABLO Cc1nc(C)c(C[N@@H+]2CCO[C@@]3(CO[C@@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)s1 ZINC000585102203 557035657 /nfs/dbraw/zinc/03/56/57/557035657.db2.gz PAGSOSKJXZNMNJ-WIYYLYMNSA-N 1 2 437.512 2.714 40 0 IFABLO Cc1nc(C)c(C[N@H+]2CCO[C@@]3(CO[C@@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)s1 ZINC000585102203 557035660 /nfs/dbraw/zinc/03/56/60/557035660.db2.gz PAGSOSKJXZNMNJ-WIYYLYMNSA-N 1 2 437.512 2.714 40 0 IFABLO O=C([C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000101699037 557125939 /nfs/dbraw/zinc/12/59/39/557125939.db2.gz NLZQAQLBKPPACK-BGYRXZFFSA-N 1 2 431.540 2.947 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)CC1 ZINC000020767294 557128965 /nfs/dbraw/zinc/12/89/65/557128965.db2.gz UKZRGKGGQQFMTL-UHFFFAOYSA-N 1 2 433.961 2.869 40 0 IFABLO Cc1ccc(N([C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)cc1C ZINC000216448109 557146641 /nfs/dbraw/zinc/14/66/41/557146641.db2.gz PSEIYOZGPQBLOC-GOSISDBHSA-N 1 2 426.542 2.960 40 0 IFABLO COc1cccc(C(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4cccc[nH+]4)C[C@@H]3C2)c1 ZINC000096251433 557188640 /nfs/dbraw/zinc/18/86/40/557188640.db2.gz PDYCKZGNEXCDLG-LVXARBLLSA-N 1 2 448.567 2.975 40 0 IFABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(O)CC3)c(=O)[nH]c2c1 ZINC000057589631 557249935 /nfs/dbraw/zinc/24/99/35/557249935.db2.gz VSTSKESLFRLKNU-QFIPXVFZSA-N 1 2 448.502 2.557 40 0 IFABLO O=C(CCc1nc(-c2cccs2)no1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026935152 557251874 /nfs/dbraw/zinc/25/18/74/557251874.db2.gz YUDQZUAUJZKRFO-UHFFFAOYSA-N 1 2 426.498 2.804 40 0 IFABLO COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(O)CC3)c(=O)[nH]c2c1 ZINC000057594687 557254073 /nfs/dbraw/zinc/25/40/73/557254073.db2.gz FAPMUZPLKRJQOL-NRFANRHFSA-N 1 2 438.532 2.575 40 0 IFABLO Cc1cc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(O)CC3)c(=O)[nH]c2cc1C ZINC000057589929 557254083 /nfs/dbraw/zinc/25/40/83/557254083.db2.gz GWICLXDGNRSVLB-HSZRJFAPSA-N 1 2 444.539 2.726 40 0 IFABLO Cc1cc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(O)CC3)c(=O)[nH]c2cc1C ZINC000057589926 557254114 /nfs/dbraw/zinc/25/41/14/557254114.db2.gz GWICLXDGNRSVLB-QHCPKHFHSA-N 1 2 444.539 2.726 40 0 IFABLO Cc1ccc([NH+]2CCC(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cc1 ZINC000219860132 557270371 /nfs/dbraw/zinc/27/03/71/557270371.db2.gz DCZFDIFLWPZGML-UHFFFAOYSA-N 1 2 427.570 2.745 40 0 IFABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000220009820 557277260 /nfs/dbraw/zinc/27/72/60/557277260.db2.gz LAYFPFFPDUCLPU-JOCHJYFZSA-N 1 2 427.570 2.739 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCO)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495978 557326218 /nfs/dbraw/zinc/32/62/18/557326218.db2.gz PHJSTPGDPLWRKY-NRFANRHFSA-N 1 2 440.548 2.974 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCO)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495978 557326219 /nfs/dbraw/zinc/32/62/19/557326219.db2.gz PHJSTPGDPLWRKY-NRFANRHFSA-N 1 2 440.548 2.974 40 0 IFABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](C)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013510406 557331946 /nfs/dbraw/zinc/33/19/46/557331946.db2.gz CHCALWRKVHHVJW-SFHVURJKSA-N 1 2 432.528 2.817 40 0 IFABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](C)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013510406 557331948 /nfs/dbraw/zinc/33/19/48/557331948.db2.gz CHCALWRKVHHVJW-SFHVURJKSA-N 1 2 432.528 2.817 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3cccc4ccccc43)cc2)CC1 ZINC000222880560 557397409 /nfs/dbraw/zinc/39/74/09/557397409.db2.gz WSFFBEWSTAVYOF-UHFFFAOYSA-N 1 2 437.565 2.847 40 0 IFABLO CN(C)S(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000223046226 557420538 /nfs/dbraw/zinc/42/05/38/557420538.db2.gz XVDKNOCABIDLLB-RMKNXTFCSA-N 1 2 441.597 2.727 40 0 IFABLO CS(=O)(=O)N(CCCC(=O)NCCCn1cc[nH+]c1)c1cc(Cl)ccc1Cl ZINC000014396926 557435310 /nfs/dbraw/zinc/43/53/10/557435310.db2.gz HVXMQLCACGIZJS-UHFFFAOYSA-N 1 2 433.361 2.943 40 0 IFABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1CC[NH+]1CCOCC1 ZINC000223134766 557437193 /nfs/dbraw/zinc/43/71/93/557437193.db2.gz BNXQEPHNXVNXRU-FCHUYYIVSA-N 1 2 437.569 2.829 40 0 IFABLO Oc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000223153235 557439497 /nfs/dbraw/zinc/43/94/97/557439497.db2.gz OBINZYBLDJTVCZ-PKTZIBPZSA-N 1 2 449.580 2.883 40 0 IFABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1CCC[NH+]1CCOCC1 ZINC000223169796 557440990 /nfs/dbraw/zinc/44/09/90/557440990.db2.gz PYKSQRXWLFKGSS-PKTZIBPZSA-N 1 2 448.596 2.962 40 0 IFABLO CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc(OC)c(C)c1 ZINC000223230712 557448943 /nfs/dbraw/zinc/44/89/43/557448943.db2.gz GGYYHOPCFDFCOR-NRFANRHFSA-N 1 2 445.585 2.821 40 0 IFABLO COc1ccccc1N(CCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000223460214 557474717 /nfs/dbraw/zinc/47/47/17/557474717.db2.gz JREDVMOLAQDLLQ-UHFFFAOYSA-N 1 2 442.541 2.744 40 0 IFABLO Cc1ccc(CN(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000223732842 557507218 /nfs/dbraw/zinc/50/72/18/557507218.db2.gz MMVKXYDLXCSXCD-RMKNXTFCSA-N 1 2 441.597 2.614 40 0 IFABLO CC[C@@H](C)NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000020081315 557514727 /nfs/dbraw/zinc/51/47/27/557514727.db2.gz OZIOZRFCUIBKPI-QGZVFWFLSA-N 1 2 430.618 2.952 40 0 IFABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000225521295 557735082 /nfs/dbraw/zinc/73/50/82/557735082.db2.gz BQLHNORUVGIFPW-HXUWFJFHSA-N 1 2 438.553 2.898 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)CC1 ZINC000225800777 557778970 /nfs/dbraw/zinc/77/89/70/557778970.db2.gz MRMDZBMOSGBUHU-UHFFFAOYSA-N 1 2 437.974 2.701 40 0 IFABLO C[C@@H]1C[C@@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NCC[NH+]3CCOCC3)n2)C1 ZINC000225905605 557790135 /nfs/dbraw/zinc/79/01/35/557790135.db2.gz HJLCFCUXKDIKCU-ZIAGYGMSSA-N 1 2 446.543 2.596 40 0 IFABLO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(Cc3cccc(Cl)c3)n2)C1)N1CCOCC1 ZINC000257220674 568674772 /nfs/dbraw/zinc/67/47/72/568674772.db2.gz DLROKKDXUKHHPE-JOCHJYFZSA-N 1 2 429.948 2.948 40 0 IFABLO O=C(CC[N@H+]1CCO[C@@H](c2cccc(Cc3cccc(Cl)c3)n2)C1)N1CCOCC1 ZINC000257220674 568674774 /nfs/dbraw/zinc/67/47/74/568674774.db2.gz DLROKKDXUKHHPE-JOCHJYFZSA-N 1 2 429.948 2.948 40 0 IFABLO CNC(=O)c1cccc([C@@H]2CN(CC(=O)Nc3ccccc3C(F)(F)F)CC[N@@H+]2C)c1 ZINC000257221832 568675253 /nfs/dbraw/zinc/67/52/53/568675253.db2.gz DQSDTIPBUKRWFV-IBGZPJMESA-N 1 2 434.462 2.992 40 0 IFABLO CNC(=O)c1cccc([C@@H]2CN(CC(=O)Nc3ccccc3C(F)(F)F)CC[N@H+]2C)c1 ZINC000257221832 568675254 /nfs/dbraw/zinc/67/52/54/568675254.db2.gz DQSDTIPBUKRWFV-IBGZPJMESA-N 1 2 434.462 2.992 40 0 IFABLO COc1cc(C)c(S(=O)(=O)N2CC[C@@H](c3n[nH]cc3-c3cc[nH+]c(N)c3)C2)cc1C ZINC000257237342 568682431 /nfs/dbraw/zinc/68/24/31/568682431.db2.gz HGAUYVUIZPUIBB-MRXNPFEDSA-N 1 2 427.530 2.858 40 0 IFABLO CCc1[nH+]c2ccccc2n1CCC(=O)N(C)C[C@@]1(O)CCCN(c2cc(C)ncn2)C1 ZINC000257246597 568686780 /nfs/dbraw/zinc/68/67/80/568686780.db2.gz IUVKFBMCVGOJFC-DEOSSOPVSA-N 1 2 436.560 2.577 40 0 IFABLO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cccnc1Oc1ccc(C)nc1 ZINC000257258299 568692322 /nfs/dbraw/zinc/69/23/22/568692322.db2.gz KTGCNHGMANCBAE-JOCHJYFZSA-N 1 2 445.523 2.650 40 0 IFABLO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccnc1Oc1ccc(C)nc1 ZINC000257258299 568692326 /nfs/dbraw/zinc/69/23/26/568692326.db2.gz KTGCNHGMANCBAE-JOCHJYFZSA-N 1 2 445.523 2.650 40 0 IFABLO Cc1cc(C)n(CCNC(=O)[C@@]2(C)CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)n1 ZINC000257262324 568694164 /nfs/dbraw/zinc/69/41/64/568694164.db2.gz LKXWIBLYJXETMV-VWLOTQADSA-N 1 2 448.571 2.803 40 0 IFABLO C[C@]1(O)C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC[C@@H]1Oc1cccc(F)c1 ZINC000257266653 568696141 /nfs/dbraw/zinc/69/61/41/568696141.db2.gz MDXNTBBVWJREPW-GMAHTHKFSA-N 1 2 430.476 2.830 40 0 IFABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC[C@@H]1Oc1cccc(F)c1 ZINC000257266653 568696144 /nfs/dbraw/zinc/69/61/44/568696144.db2.gz MDXNTBBVWJREPW-GMAHTHKFSA-N 1 2 430.476 2.830 40 0 IFABLO CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(C(=O)c2ccccc2C[NH+]2CCCCC2)C1 ZINC000257283858 568703898 /nfs/dbraw/zinc/70/38/98/568703898.db2.gz PADRITBKCMTVBY-SFHVURJKSA-N 1 2 444.601 2.894 40 0 IFABLO CN(C)S(=O)(=O)N1CC[C@@H](c2n[nH]cc2-c2cc[nH+]c(NCc3cccc(F)c3)c2)C1 ZINC000257311906 568716338 /nfs/dbraw/zinc/71/63/38/568716338.db2.gz ULNMZAWTZJCKRB-QGZVFWFLSA-N 1 2 444.536 2.819 40 0 IFABLO Cc1nc2cc(C(=O)N(C)C[C@]3(O)CCN(c4cc(C)[nH+]c5ccncc54)C3)ccc2n1C ZINC000257314124 568717355 /nfs/dbraw/zinc/71/73/55/568717355.db2.gz UVKRZSYNVFYSFO-RUZDIDTESA-N 1 2 444.539 2.847 40 0 IFABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4cccc(C)c4)CCOCC3)CC[N@@H+]2C)c1 ZINC000257325714 568722478 /nfs/dbraw/zinc/72/24/78/568722478.db2.gz WUCSDRPZLNPSQA-QHCPKHFHSA-N 1 2 435.568 2.918 40 0 IFABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4cccc(C)c4)CCOCC3)CC[N@H+]2C)c1 ZINC000257325714 568722482 /nfs/dbraw/zinc/72/24/82/568722482.db2.gz WUCSDRPZLNPSQA-QHCPKHFHSA-N 1 2 435.568 2.918 40 0 IFABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC000257333417 568725836 /nfs/dbraw/zinc/72/58/36/568725836.db2.gz YBKYGJOTDMUBEO-KRWDZBQOSA-N 1 2 427.530 2.850 40 0 IFABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC000257333417 568725838 /nfs/dbraw/zinc/72/58/38/568725838.db2.gz YBKYGJOTDMUBEO-KRWDZBQOSA-N 1 2 427.530 2.850 40 0 IFABLO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2[nH]ncc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257336605 568727215 /nfs/dbraw/zinc/72/72/15/568727215.db2.gz YPEMJICHJVQSCN-HXUWFJFHSA-N 1 2 434.544 2.983 40 0 IFABLO OCCCNc1nc(Nc2ccc(I)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329030371 568754280 /nfs/dbraw/zinc/75/42/80/568754280.db2.gz QDWSAMPIYFSXNG-UHFFFAOYSA-N 1 2 444.704 2.994 40 0 IFABLO Cc1ccc(F)c(C[N@@H+]2CCN3CCn4c(C(=O)NCc5cccs5)nnc4[C@H]3C2)c1 ZINC000306124885 568763440 /nfs/dbraw/zinc/76/34/40/568763440.db2.gz CBIBKMBCRHGMJC-LJQANCHMSA-N 1 2 440.548 2.590 40 0 IFABLO Cc1ccc(F)c(C[N@H+]2CCN3CCn4c(C(=O)NCc5cccs5)nnc4[C@H]3C2)c1 ZINC000306124885 568763442 /nfs/dbraw/zinc/76/34/42/568763442.db2.gz CBIBKMBCRHGMJC-LJQANCHMSA-N 1 2 440.548 2.590 40 0 IFABLO Cc1nc(CN2CC[C@]3(CN(C(=O)N(C)C)C[C@@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306132028 568766905 /nfs/dbraw/zinc/76/69/05/568766905.db2.gz KVYASFZTGNRYCH-DYESRHJHSA-N 1 2 430.578 2.729 40 0 IFABLO CCOCC(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC000306138618 568770697 /nfs/dbraw/zinc/77/06/97/568770697.db2.gz SCFYLOSIUIALPW-XMSQKQJNSA-N 1 2 445.589 2.610 40 0 IFABLO Cc1nc(C[N@@H+]2C[C@@H]3ON=C(N4CCC(C(=O)NCc5ccccc5)CC4)[C@@H]3C2)cs1 ZINC000306140064 568771531 /nfs/dbraw/zinc/77/15/31/568771531.db2.gz UILRXKMTJBIQOX-RTWAWAEBSA-N 1 2 439.585 2.624 40 0 IFABLO Cc1nc(C[N@H+]2C[C@@H]3ON=C(N4CCC(C(=O)NCc5ccccc5)CC4)[C@@H]3C2)cs1 ZINC000306140064 568771533 /nfs/dbraw/zinc/77/15/33/568771533.db2.gz UILRXKMTJBIQOX-RTWAWAEBSA-N 1 2 439.585 2.624 40 0 IFABLO Cc1nc(C[N@@H+]2C[C@H]3ON=C(N4CCC(C(=O)NCc5ccccc5)CC4)[C@@H]3C2)cs1 ZINC000306140063 568771555 /nfs/dbraw/zinc/77/15/55/568771555.db2.gz UILRXKMTJBIQOX-NHCUHLMSSA-N 1 2 439.585 2.624 40 0 IFABLO Cc1nc(C[N@H+]2C[C@H]3ON=C(N4CCC(C(=O)NCc5ccccc5)CC4)[C@@H]3C2)cs1 ZINC000306140063 568771556 /nfs/dbraw/zinc/77/15/56/568771556.db2.gz UILRXKMTJBIQOX-NHCUHLMSSA-N 1 2 439.585 2.624 40 0 IFABLO O=S1(=O)c2cccnc2O[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2N1Cc1ccccc1 ZINC000306142552 568772597 /nfs/dbraw/zinc/77/25/97/568772597.db2.gz XCXKLHHFPLUQKK-MOPGFXCFSA-N 1 2 427.551 2.979 40 0 IFABLO O=S1(=O)c2cccnc2O[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2N1Cc1ccccc1 ZINC000306142552 568772598 /nfs/dbraw/zinc/77/25/98/568772598.db2.gz XCXKLHHFPLUQKK-MOPGFXCFSA-N 1 2 427.551 2.979 40 0 IFABLO COC(=O)[C@]1(CCSC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245229799 569205260 /nfs/dbraw/zinc/20/52/60/569205260.db2.gz FXGOZSQZXFQEMS-KYFSNAEOSA-N 1 2 430.551 2.863 40 0 IFABLO COc1cccc(C[N@@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c1OC ZINC000019694976 569229352 /nfs/dbraw/zinc/22/93/52/569229352.db2.gz HJSNPNSTMGMMHP-HXUWFJFHSA-N 1 2 436.516 2.590 40 0 IFABLO COc1cccc(C[N@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c1OC ZINC000019694976 569229354 /nfs/dbraw/zinc/22/93/54/569229354.db2.gz HJSNPNSTMGMMHP-HXUWFJFHSA-N 1 2 436.516 2.590 40 0 IFABLO CN(C(=O)C[N@@H+]1CCO[C@@]2(C1)CC=CCN(Cc1ccccc1)C2=O)C1CCCCC1 ZINC000019704266 569233310 /nfs/dbraw/zinc/23/33/10/569233310.db2.gz MTRSCBUJXAQLKK-RUZDIDTESA-N 1 2 425.573 2.837 40 0 IFABLO CN(C(=O)C[N@H+]1CCO[C@@]2(C1)CC=CCN(Cc1ccccc1)C2=O)C1CCCCC1 ZINC000019704266 569233311 /nfs/dbraw/zinc/23/33/11/569233311.db2.gz MTRSCBUJXAQLKK-RUZDIDTESA-N 1 2 425.573 2.837 40 0 IFABLO COc1ccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1OC ZINC000261363160 569315574 /nfs/dbraw/zinc/31/55/74/569315574.db2.gz GFIFJXWBCRBWHU-HXUWFJFHSA-O 1 2 425.490 2.789 40 0 IFABLO CCn1c(SC)nnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2N2CCOCC2)C1 ZINC000013565192 132350226 /nfs/dbraw/zinc/35/02/26/132350226.db2.gz ODZQRPUZDCIDIV-KRWDZBQOSA-N 1 2 444.605 2.675 40 0 IFABLO CCn1c(SC)nnc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2N2CCOCC2)C1 ZINC000013565192 132350227 /nfs/dbraw/zinc/35/02/27/132350227.db2.gz ODZQRPUZDCIDIV-KRWDZBQOSA-N 1 2 444.605 2.675 40 0 IFABLO CCOC(=O)C1=C(C[NH2+]Cc2ccccc2F)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000020518231 520520156 /nfs/dbraw/zinc/52/01/56/520520156.db2.gz QZFLRQOUMVQHIF-FQEVSTJZSA-N 1 2 427.432 2.515 40 0 IFABLO COc1cc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3F)CC2)cc(OC)c1OC ZINC000012644636 522102218 /nfs/dbraw/zinc/10/22/18/522102218.db2.gz BELHJSZRWKPPOW-UHFFFAOYSA-N 1 2 445.491 2.684 40 0 IFABLO C[N@@H+]1C[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000020464027 524011880 /nfs/dbraw/zinc/01/18/80/524011880.db2.gz YHIUVQOQTFDXFK-WFASDCNBSA-N 1 2 449.393 2.992 40 0 biogenic,in-vitro IFABLO C[N@H+]1C[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000020464027 524011884 /nfs/dbraw/zinc/01/18/84/524011884.db2.gz YHIUVQOQTFDXFK-WFASDCNBSA-N 1 2 449.393 2.992 40 0 biogenic,in-vitro IFABLO COC(=O)[C@]1(CCSC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000012497191 524014490 /nfs/dbraw/zinc/01/44/90/524014490.db2.gz FXGOZSQZXFQEMS-GRXQJBFDSA-N 1 2 430.551 2.863 40 0 IFABLO Cc1c(Cl)cccc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000020453987 525757805 /nfs/dbraw/zinc/75/78/05/525757805.db2.gz VCWFHCUEXPYHEG-UHFFFAOYSA-N 1 2 432.933 2.917 40 0 IFABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000022524497 526649775 /nfs/dbraw/zinc/64/97/75/526649775.db2.gz BDTQCJJZRDQGSJ-QGZVFWFLSA-N 1 2 430.555 2.651 40 0 IFABLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000020451452 526741911 /nfs/dbraw/zinc/74/19/11/526741911.db2.gz MJULPCKRITYPET-UHFFFAOYSA-N 1 2 430.555 2.651 40 0 IFABLO C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCCCn2cc[nH+]c2)cc1)c1ccccc1 ZINC000408590474 555947652 /nfs/dbraw/zinc/94/76/52/555947652.db2.gz HIWUKOOGHFBYRV-SFHVURJKSA-N 1 2 442.541 2.508 40 0 IFABLO CC(C)CNC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408595679 555962243 /nfs/dbraw/zinc/96/22/43/555962243.db2.gz RAULEIFOJJCLOV-UHFFFAOYSA-N 1 2 430.574 2.971 40 0 IFABLO Cc1ccc(N(CC(=O)NCCCn2cc[nH+]c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408603992 555973463 /nfs/dbraw/zinc/97/34/63/555973463.db2.gz GQDRXDFMIMTKIE-UHFFFAOYSA-N 1 2 430.505 2.732 40 0 IFABLO COc1ccc(N(CC(=O)NCCCn2cc[nH+]c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408613383 555978425 /nfs/dbraw/zinc/97/84/25/555978425.db2.gz WSORFBHRAAFKEF-UHFFFAOYSA-N 1 2 442.541 2.602 40 0 IFABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000408617433 555988323 /nfs/dbraw/zinc/98/83/23/555988323.db2.gz BARSYFNGHVLVDH-UHFFFAOYSA-N 1 2 442.541 2.602 40 0 IFABLO O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCCn1cc[nH+]c1 ZINC000408617654 555988639 /nfs/dbraw/zinc/98/86/39/555988639.db2.gz CZUGWRLOHJLMSJ-UHFFFAOYSA-N 1 2 446.960 2.934 40 0 IFABLO Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408621363 555990103 /nfs/dbraw/zinc/99/01/03/555990103.db2.gz NUCZNNGCNUFVIC-UHFFFAOYSA-N 1 2 440.569 2.631 40 0 IFABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2ccc(F)cc2)cc1 ZINC000408630383 556001062 /nfs/dbraw/zinc/00/10/62/556001062.db2.gz SUVOPNNDZUVYTP-UHFFFAOYSA-N 1 2 430.505 2.732 40 0 IFABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)C1CCCCC1 ZINC000408635722 556013749 /nfs/dbraw/zinc/01/37/49/556013749.db2.gz HTQCDMSOOPCCCN-UHFFFAOYSA-N 1 2 448.589 2.730 40 0 IFABLO Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCCCn1cc[nH+]c1 ZINC000408675836 556068423 /nfs/dbraw/zinc/06/84/23/556068423.db2.gz LAWWJNDQSXLMAO-UHFFFAOYSA-N 1 2 428.514 2.578 40 0 IFABLO Cc1cc(C)cc(N([C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)c1 ZINC000030868019 556512859 /nfs/dbraw/zinc/51/28/59/556512859.db2.gz ZJKGUKKVSRJLGO-GOSISDBHSA-N 1 2 426.542 2.960 40 0 IFABLO COc1cc(C(=O)O[C@@H](COCCC(C)C)C[NH+]2CCOCC2)cc(OC)c1OC ZINC000031771396 556526124 /nfs/dbraw/zinc/52/61/24/556526124.db2.gz YOKPRDAUBGOISU-GOSISDBHSA-N 1 2 425.522 2.633 40 0 in-man IFABLO COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044939297 556683337 /nfs/dbraw/zinc/68/33/37/556683337.db2.gz ODPZSSNEKLRSAM-UHFFFAOYSA-N 1 2 440.525 2.977 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)CC1 ZINC000018088607 556683645 /nfs/dbraw/zinc/68/36/45/556683645.db2.gz WLMATAYCEIZJBZ-UHFFFAOYSA-N 1 2 438.347 2.638 40 0 IFABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)CCc5cccnc5)CC4)[nH]n3c(=O)c2C1 ZINC000019448149 556757439 /nfs/dbraw/zinc/75/74/39/556757439.db2.gz SBUCFQWTZVLHRX-UHFFFAOYSA-N 1 2 448.571 2.935 40 0 IFABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)CCc5cccnc5)CC4)[nH]n3c(=O)c2C1 ZINC000019448149 556757441 /nfs/dbraw/zinc/75/74/41/556757441.db2.gz SBUCFQWTZVLHRX-UHFFFAOYSA-N 1 2 448.571 2.935 40 0 IFABLO CC(C)S(=O)(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)C1 ZINC000019451030 556761906 /nfs/dbraw/zinc/76/19/06/556761906.db2.gz UIBCEHGWEQPBNL-INIZCTEOSA-N 1 2 447.605 2.653 40 0 IFABLO CC(C)S(=O)(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)C1 ZINC000019451030 556761908 /nfs/dbraw/zinc/76/19/08/556761908.db2.gz UIBCEHGWEQPBNL-INIZCTEOSA-N 1 2 447.605 2.653 40 0 IFABLO CCc1[nH+]ccn1CC(=O)N1CCC(c2[nH]ncc2C(=O)N2CCc3ccccc3C2)CC1 ZINC000019523488 556781038 /nfs/dbraw/zinc/78/10/38/556781038.db2.gz DBDFTJKGHDLBSQ-UHFFFAOYSA-N 1 2 446.555 2.773 40 0 IFABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)c5cccnc5)C4)nc3C2)cc1 ZINC000019555651 556798737 /nfs/dbraw/zinc/79/87/37/556798737.db2.gz VQRQCALWAZSTTO-LJQANCHMSA-N 1 2 445.523 2.774 40 0 IFABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)c5cccnc5)C4)nc3C2)cc1 ZINC000019555651 556798739 /nfs/dbraw/zinc/79/87/39/556798739.db2.gz VQRQCALWAZSTTO-LJQANCHMSA-N 1 2 445.523 2.774 40 0 IFABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCCC1)OCCO3 ZINC000006445169 556833248 /nfs/dbraw/zinc/83/32/48/556833248.db2.gz CBFCJGUFYOBPTM-NRFANRHFSA-N 1 2 436.516 2.976 40 0 IFABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccc4c(c3)OCO4)[NH+]3CCCC3)c(=O)[nH]c12 ZINC000008586239 556841479 /nfs/dbraw/zinc/84/14/79/556841479.db2.gz RYCAEYBFASCZEV-JOCHJYFZSA-N 1 2 444.495 2.785 40 0 aggregator IFABLO CNc1nc([C@@H]2CCCN(C(=O)c3cccc(N4CCCC4=O)c3)C2)nc2c1C[N@H+](C)CC2 ZINC000019710520 556873792 /nfs/dbraw/zinc/87/37/92/556873792.db2.gz PWZOBHYIUDARQO-GOSISDBHSA-N 1 2 448.571 2.653 40 0 IFABLO CNc1nc([C@@H]2CCCN(C(=O)c3cccc(N4CCCC4=O)c3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710520 556873794 /nfs/dbraw/zinc/87/37/94/556873794.db2.gz PWZOBHYIUDARQO-GOSISDBHSA-N 1 2 448.571 2.653 40 0 IFABLO Cc1nc([C@H]2CCC[N@H+](CC(=O)n3cccn3)C2)nc2c1CC(=O)N2CCc1ccccc1 ZINC000019743740 556888661 /nfs/dbraw/zinc/88/86/61/556888661.db2.gz WKGPMSBSAPOEGA-FQEVSTJZSA-N 1 2 444.539 2.633 40 0 IFABLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)n3cccn3)C2)nc2c1CC(=O)N2CCc1ccccc1 ZINC000019743740 556888664 /nfs/dbraw/zinc/88/86/64/556888664.db2.gz WKGPMSBSAPOEGA-FQEVSTJZSA-N 1 2 444.539 2.633 40 0 IFABLO COc1ccc2nc(C[N@@H+]3CCc4c(nc(N5C[C@@H](C)O[C@H](C)C5)[nH]c4=O)C3)ccc2c1 ZINC000072335596 556908557 /nfs/dbraw/zinc/90/85/57/556908557.db2.gz MNYOAYLEVBYXGA-HZPDHXFCSA-N 1 2 435.528 2.911 40 0 IFABLO COc1ccc2nc(C[N@H+]3CCc4c(nc(N5C[C@@H](C)O[C@H](C)C5)[nH]c4=O)C3)ccc2c1 ZINC000072335596 556908562 /nfs/dbraw/zinc/90/85/62/556908562.db2.gz MNYOAYLEVBYXGA-HZPDHXFCSA-N 1 2 435.528 2.911 40 0 IFABLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(OCCN3CCCC3=O)cc2)ncc1C(N)=O ZINC000019764495 556909033 /nfs/dbraw/zinc/90/90/33/556909033.db2.gz NGYXOLDQWUZTHP-OAQYLSRUSA-N 1 2 437.544 2.612 40 0 IFABLO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccc(OCCN3CCCC3=O)cc2)ncc1C(N)=O ZINC000019764495 556909038 /nfs/dbraw/zinc/90/90/38/556909038.db2.gz NGYXOLDQWUZTHP-OAQYLSRUSA-N 1 2 437.544 2.612 40 0 IFABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCCC4)nc3C2)cc1Cn1cccn1 ZINC000072347217 556918269 /nfs/dbraw/zinc/91/82/69/556918269.db2.gz JHQFHDQWZDPSJH-UHFFFAOYSA-N 1 2 434.544 2.984 40 0 IFABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(N4CCCCC4)nc3C2)cc1Cn1cccn1 ZINC000072347217 556918272 /nfs/dbraw/zinc/91/82/72/556918272.db2.gz JHQFHDQWZDPSJH-UHFFFAOYSA-N 1 2 434.544 2.984 40 0 IFABLO CCOc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCN4C(C)=O)nc(NC)c3C2)cc1CO ZINC000072372402 556942519 /nfs/dbraw/zinc/94/25/19/556942519.db2.gz GEHHNYQEDFGXFE-NRFANRHFSA-N 1 2 439.560 2.651 40 0 IFABLO CCOc1ccc(C[N@H+]2CCc3nc([C@@H]4CCCN4C(C)=O)nc(NC)c3C2)cc1CO ZINC000072372402 556942522 /nfs/dbraw/zinc/94/25/22/556942522.db2.gz GEHHNYQEDFGXFE-NRFANRHFSA-N 1 2 439.560 2.651 40 0 IFABLO COCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C[C@@H]2CC=CCC2)CC4)CC1 ZINC000072398762 556970794 /nfs/dbraw/zinc/97/07/94/556970794.db2.gz XTSOBTVJJYMGMF-QGZVFWFLSA-N 1 2 439.560 2.502 40 0 IFABLO COCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C[C@@H]2CC=CCC2)CC4)CC1 ZINC000072398762 556970797 /nfs/dbraw/zinc/97/07/97/556970797.db2.gz XTSOBTVJJYMGMF-QGZVFWFLSA-N 1 2 439.560 2.502 40 0 IFABLO O=C(NCCC[NH+]1CCOCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020105617 556982217 /nfs/dbraw/zinc/98/22/17/556982217.db2.gz UNGPPFXTISCRMW-UHFFFAOYSA-N 1 2 437.949 2.593 40 0 IFABLO Cc1ccc(Cl)cc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000020110443 556985026 /nfs/dbraw/zinc/98/50/26/556985026.db2.gz SXEBJCZLKVZDQL-UHFFFAOYSA-N 1 2 432.933 2.917 40 0 IFABLO Cc1cc(C)cc(N([C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)c1 ZINC000020110662 556985245 /nfs/dbraw/zinc/98/52/45/556985245.db2.gz GXVZXPLBHGXSEN-GOSISDBHSA-N 1 2 426.542 2.960 40 0 IFABLO Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)c1 ZINC000020110663 556985272 /nfs/dbraw/zinc/98/52/72/556985272.db2.gz GXVZXPLBHGXSEN-SFHVURJKSA-N 1 2 426.542 2.960 40 0 IFABLO O=C(NCC[NH+]1CCOCC1)c1nc(-c2cn(CC3CCCCC3)cn2)n2ccccc12 ZINC000096155137 557179516 /nfs/dbraw/zinc/17/95/16/557179516.db2.gz KBYLXOIUBQWJRF-UHFFFAOYSA-N 1 2 436.560 2.840 40 0 IFABLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NCc3ccccc3)cn21 ZINC000096156673 557181838 /nfs/dbraw/zinc/18/18/38/557181838.db2.gz OADBTKCSHSOWQP-JOCHJYFZSA-N 1 2 441.539 2.543 40 0 IFABLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NCc3ccccc3)cn21 ZINC000096156673 557181842 /nfs/dbraw/zinc/18/18/42/557181842.db2.gz OADBTKCSHSOWQP-JOCHJYFZSA-N 1 2 441.539 2.543 40 0 IFABLO COc1ccc(C(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4cccc[nH+]4)C[C@@H]3C2)cc1 ZINC000096251434 557188669 /nfs/dbraw/zinc/18/86/69/557188669.db2.gz FDMVDMUMSHHISN-LVXARBLLSA-N 1 2 448.567 2.975 40 0 IFABLO COc1cccc(CCNC(=O)[C@@H]2c3c([nH+]cn3C(C)C)CCN2C(=O)c2cccnc2)c1 ZINC000096265076 557192087 /nfs/dbraw/zinc/19/20/87/557192087.db2.gz DDUOZYTVNLPPIO-QHCPKHFHSA-N 1 2 447.539 2.966 40 0 IFABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCOC[C@@H](Cc2cccc3n[nH]cc32)C1 ZINC000585261887 557197299 /nfs/dbraw/zinc/19/72/99/557197299.db2.gz KJHYFMCCZSTKLM-IBGZPJMESA-N 1 2 434.540 2.726 40 0 IFABLO COCC(=O)N1CCc2nc3cc(C4CC[NH+](C[C@H]5CC=CCC5)CC4)[nH]n3c(=O)c2C1 ZINC000100232673 557249878 /nfs/dbraw/zinc/24/98/78/557249878.db2.gz PLGGCBJURDIRMG-KRWDZBQOSA-N 1 2 439.560 2.502 40 0 IFABLO COCCN(CCOC)c1nc(N2CCCC2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000057731540 557260007 /nfs/dbraw/zinc/26/00/07/557260007.db2.gz LYFLPVJQMKLSQP-UHFFFAOYSA-N 1 2 425.577 2.734 40 0 IFABLO COCCN(CCOC)c1nc(N2CCCC2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000057731540 557260010 /nfs/dbraw/zinc/26/00/10/557260010.db2.gz LYFLPVJQMKLSQP-UHFFFAOYSA-N 1 2 425.577 2.734 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2Cl)CC1 ZINC000220008815 557276785 /nfs/dbraw/zinc/27/67/85/557276785.db2.gz QTUOYHHOFQXJLF-UHFFFAOYSA-N 1 2 433.961 2.869 40 0 IFABLO COc1cc([C@H]2[NH+]=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)ccc1OCCC(C)C ZINC000104279759 557323973 /nfs/dbraw/zinc/32/39/73/557323973.db2.gz ZZXJNMJWMJUKSF-NRFANRHFSA-N 1 2 441.532 2.646 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCO)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495979 557326183 /nfs/dbraw/zinc/32/61/83/557326183.db2.gz PHJSTPGDPLWRKY-OAQYLSRUSA-N 1 2 440.548 2.974 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCO)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495979 557326185 /nfs/dbraw/zinc/32/61/85/557326185.db2.gz PHJSTPGDPLWRKY-OAQYLSRUSA-N 1 2 440.548 2.974 40 0 IFABLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NCc3ccccc3)cn21 ZINC000107189406 557336065 /nfs/dbraw/zinc/33/60/65/557336065.db2.gz OADBTKCSHSOWQP-QFIPXVFZSA-N 1 2 441.539 2.543 40 0 IFABLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NCc3ccccc3)cn21 ZINC000107189406 557336067 /nfs/dbraw/zinc/33/60/67/557336067.db2.gz OADBTKCSHSOWQP-QFIPXVFZSA-N 1 2 441.539 2.543 40 0 IFABLO Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)n1-c1cccnc1 ZINC000223134067 557436968 /nfs/dbraw/zinc/43/69/68/557436968.db2.gz AOSVNYYXTIDCSH-XZOQPEGZSA-N 1 2 448.596 2.880 40 0 IFABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1CC[NH+]1CCOCC1 ZINC000223134821 557437201 /nfs/dbraw/zinc/43/72/01/557437201.db2.gz BNXQEPHNXVNXRU-FGZHOGPDSA-N 1 2 437.569 2.829 40 0 IFABLO C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc2c(c1)CCC2 ZINC000223232593 557449323 /nfs/dbraw/zinc/44/93/23/557449323.db2.gz SGBRCWVXXXRYMW-KRWDZBQOSA-N 1 2 427.570 2.602 40 0 IFABLO CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223479243 557476812 /nfs/dbraw/zinc/47/68/12/557476812.db2.gz DNEWXRZUIOTBBV-QHCPKHFHSA-N 1 2 427.520 2.754 40 0 IFABLO COc1cc2c(cc1S(=O)(=O)NCc1ccccc1C[NH+]1CCOCC1)CCCC2 ZINC000223573589 557487702 /nfs/dbraw/zinc/48/77/02/557487702.db2.gz XUOMYRYOIGKHFA-UHFFFAOYSA-N 1 2 430.570 2.885 40 0 IFABLO CCCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000019823877 557508236 /nfs/dbraw/zinc/50/82/36/557508236.db2.gz XUEVBTOEFHFNIT-UHFFFAOYSA-N 1 2 430.618 2.954 40 0 IFABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000224929001 557668046 /nfs/dbraw/zinc/66/80/46/557668046.db2.gz XOHWZIDDNJNDED-UHFFFAOYSA-N 1 2 442.585 2.784 40 0 IFABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000225534798 557738031 /nfs/dbraw/zinc/73/80/31/557738031.db2.gz JYZQZHXGTPOLQH-GOSISDBHSA-N 1 2 442.516 2.729 40 0 IFABLO COc1cccc(N(CCCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)c1 ZINC000225672306 557760761 /nfs/dbraw/zinc/76/07/61/557760761.db2.gz AGNCACWNYVUWHB-UHFFFAOYSA-N 1 2 442.541 2.744 40 0 IFABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(Oc2ccccc2)cc(N2CCCCC2)n1 ZINC000225903628 557789662 /nfs/dbraw/zinc/78/96/62/557789662.db2.gz IMUKBMBLTAYQCU-UHFFFAOYSA-N 1 2 442.589 2.878 40 0 IFABLO Cc1cccc(CNc2cc(-c3c[nH]nc3[C@@H]3CCN(S(=O)(=O)N(C)C)C3)cc[nH+]2)c1 ZINC000257228585 568678135 /nfs/dbraw/zinc/67/81/35/568678135.db2.gz FUKRTZRTOMJCFT-LJQANCHMSA-N 1 2 440.573 2.988 40 0 IFABLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1ccc(N3CCCC3=O)cc1)CC2 ZINC000257232897 568680397 /nfs/dbraw/zinc/68/03/97/568680397.db2.gz GMXMDEJZAXCPHQ-LJQANCHMSA-N 1 2 448.571 2.539 40 0 IFABLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1ccc(N3CCCC3=O)cc1)CC2 ZINC000257232897 568680399 /nfs/dbraw/zinc/68/03/99/568680399.db2.gz GMXMDEJZAXCPHQ-LJQANCHMSA-N 1 2 448.571 2.539 40 0 IFABLO COc1cc(C)c(S(=O)(=O)N2CC[C@H](c3n[nH]cc3-c3cc[nH+]c(N)c3)C2)cc1C ZINC000257237341 568682523 /nfs/dbraw/zinc/68/25/23/568682523.db2.gz HGAUYVUIZPUIBB-INIZCTEOSA-N 1 2 427.530 2.858 40 0 IFABLO Cc1ccc2oc(=O)n(CC(=O)N3CCO[C@H](c4cccc(-c5ccc(N)[nH+]c5)n4)C3)c2c1 ZINC000257252232 568689709 /nfs/dbraw/zinc/68/97/09/568689709.db2.gz JUANMZGBJHMXJL-NRFANRHFSA-N 1 2 445.479 2.542 40 0 IFABLO Cc1cc(N2CC[C@](O)(CN(C)C(=O)CCc3nc4ccccc4[nH]3)C2)c2cnccc2[nH+]1 ZINC000257253632 568690050 /nfs/dbraw/zinc/69/00/50/568690050.db2.gz JZRBMFUGABMNNL-VWLOTQADSA-N 1 2 444.539 2.847 40 0 IFABLO CNc1nc([C@H]2CCN(C(=O)C3(c4cccc(C)c4)CCOCC3)C2)nc2c1C[N@H+](C)CC2 ZINC000257254494 568690725 /nfs/dbraw/zinc/69/07/25/568690725.db2.gz KDHHRUQTEBTURZ-IBGZPJMESA-N 1 2 449.599 2.879 40 0 IFABLO CNc1nc([C@H]2CCN(C(=O)C3(c4cccc(C)c4)CCOCC3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257254494 568690729 /nfs/dbraw/zinc/69/07/29/568690729.db2.gz KDHHRUQTEBTURZ-IBGZPJMESA-N 1 2 449.599 2.879 40 0 IFABLO Cc1[nH+]ccn1CCC(=O)N1CCO[C@@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 ZINC000257256640 568691848 /nfs/dbraw/zinc/69/18/48/568691848.db2.gz KMIDRLVSJNGKCC-OAQYLSRUSA-N 1 2 445.470 2.805 40 0 IFABLO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cccnc1Oc1ccc(C)nc1 ZINC000257258300 568692365 /nfs/dbraw/zinc/69/23/65/568692365.db2.gz KTGCNHGMANCBAE-QFIPXVFZSA-N 1 2 445.523 2.650 40 0 IFABLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccnc1Oc1ccc(C)nc1 ZINC000257258300 568692367 /nfs/dbraw/zinc/69/23/67/568692367.db2.gz KTGCNHGMANCBAE-QFIPXVFZSA-N 1 2 445.523 2.650 40 0 IFABLO Cc1nc2cc(NC(=O)C[N@@H+]3CC[C@](C)(O)[C@@H](Oc4cccc(F)c4)C3)ccc2n1C ZINC000257275119 568700041 /nfs/dbraw/zinc/70/00/41/568700041.db2.gz NNZGDKYAJSLJKU-GMAHTHKFSA-N 1 2 426.492 2.864 40 0 IFABLO Cc1nc2cc(NC(=O)C[N@H+]3CC[C@](C)(O)[C@@H](Oc4cccc(F)c4)C3)ccc2n1C ZINC000257275119 568700045 /nfs/dbraw/zinc/70/00/45/568700045.db2.gz NNZGDKYAJSLJKU-GMAHTHKFSA-N 1 2 426.492 2.864 40 0 IFABLO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000257308913 568715203 /nfs/dbraw/zinc/71/52/03/568715203.db2.gz TYSDBCQQQVZTEX-OAQYLSRUSA-N 1 2 427.505 2.549 40 0 IFABLO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000257308913 568715204 /nfs/dbraw/zinc/71/52/04/568715204.db2.gz TYSDBCQQQVZTEX-OAQYLSRUSA-N 1 2 427.505 2.549 40 0 IFABLO Cc1nc2cc(C(=O)N(C)C[C@@]3(O)CCN(c4cc(C)[nH+]c5ccncc54)C3)ccc2n1C ZINC000257314125 568717361 /nfs/dbraw/zinc/71/73/61/568717361.db2.gz UVKRZSYNVFYSFO-VWLOTQADSA-N 1 2 444.539 2.847 40 0 IFABLO Cc1ccc(F)c(C[N@@H+]2CCN3CCn4c(C(=O)NCc5cccs5)nnc4[C@@H]3C2)c1 ZINC000306124884 568763512 /nfs/dbraw/zinc/76/35/12/568763512.db2.gz CBIBKMBCRHGMJC-IBGZPJMESA-N 1 2 440.548 2.590 40 0 IFABLO Cc1ccc(F)c(C[N@H+]2CCN3CCn4c(C(=O)NCc5cccs5)nnc4[C@@H]3C2)c1 ZINC000306124884 568763514 /nfs/dbraw/zinc/76/35/14/568763514.db2.gz CBIBKMBCRHGMJC-IBGZPJMESA-N 1 2 440.548 2.590 40 0 IFABLO Cc1nc2c(n1CC1CC1)C[N@@H+](Cc1cnn(C)c1)CC21CCN(c2ncccn2)CC1 ZINC000306128114 568764881 /nfs/dbraw/zinc/76/48/81/568764881.db2.gz GQGXQNRDWSKZPC-UHFFFAOYSA-N 1 2 432.576 2.679 40 0 IFABLO Cc1nc2c(n1CC1CC1)C[N@H+](Cc1cnn(C)c1)CC21CCN(c2ncccn2)CC1 ZINC000306128114 568764882 /nfs/dbraw/zinc/76/48/82/568764882.db2.gz GQGXQNRDWSKZPC-UHFFFAOYSA-N 1 2 432.576 2.679 40 0 IFABLO Cc1[nH+]c2c(n1CC1CC1)CN(Cc1cnn(C)c1)CC21CCN(c2ncccn2)CC1 ZINC000306128114 568764883 /nfs/dbraw/zinc/76/48/83/568764883.db2.gz GQGXQNRDWSKZPC-UHFFFAOYSA-N 1 2 432.576 2.679 40 0 IFABLO Cc1cc(C(=O)N2C[C@@H](c3cn(C(C)C)c[nH+]3)[C@]3(CCN(Cc4ccncc4)C3=O)C2)no1 ZINC000306130645 568766224 /nfs/dbraw/zinc/76/62/24/568766224.db2.gz JMEMYDLXNVQWOS-CYFREDJKSA-N 1 2 448.527 2.814 40 0 IFABLO Cc1nc(CN2CC[C@@]3(CN(C(=O)N(C)C)C[C@@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306132030 568766895 /nfs/dbraw/zinc/76/68/95/568766895.db2.gz KVYASFZTGNRYCH-UTKZUKDTSA-N 1 2 430.578 2.729 40 0 IFABLO Cc1ncsc1C[N@@H+]1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2C1 ZINC000306132168 568767058 /nfs/dbraw/zinc/76/70/58/568767058.db2.gz LAPXEBKOFGIQSF-ROUUACIJSA-N 1 2 442.566 2.683 40 0 IFABLO Cc1ncsc1C[N@H+]1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2C1 ZINC000306132168 568767060 /nfs/dbraw/zinc/76/70/60/568767060.db2.gz LAPXEBKOFGIQSF-ROUUACIJSA-N 1 2 442.566 2.683 40 0 IFABLO Cc1ncsc1C[N@@H+]1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2C1 ZINC000306132169 568767091 /nfs/dbraw/zinc/76/70/91/568767091.db2.gz LAPXEBKOFGIQSF-ZWKOTPCHSA-N 1 2 442.566 2.683 40 0 IFABLO Cc1ncsc1C[N@H+]1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2C1 ZINC000306132169 568767093 /nfs/dbraw/zinc/76/70/93/568767093.db2.gz LAPXEBKOFGIQSF-ZWKOTPCHSA-N 1 2 442.566 2.683 40 0 IFABLO Cc1ccsc1C[N@@H+]1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@H]2C1 ZINC000306134984 568768630 /nfs/dbraw/zinc/76/86/30/568768630.db2.gz ODVUTSNMTANRNH-ROUUACIJSA-N 1 2 442.566 2.683 40 0 IFABLO Cc1ccsc1C[N@H+]1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@H]2C1 ZINC000306134984 568768631 /nfs/dbraw/zinc/76/86/31/568768631.db2.gz ODVUTSNMTANRNH-ROUUACIJSA-N 1 2 442.566 2.683 40 0 IFABLO CN(C)C(=O)N1CCC[C@H]1c1nc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccn21 ZINC000306136934 568769729 /nfs/dbraw/zinc/76/97/29/568769729.db2.gz QHAKYCIDQNPNQI-IBGZPJMESA-N 1 2 447.543 2.510 40 0 IFABLO O=S1(=O)c2ccccc2O[C@]2(CC[N@H+](Cc3cccnc3)C2)CN1Cc1ccccn1 ZINC000306145128 568774221 /nfs/dbraw/zinc/77/42/21/568774221.db2.gz ZZAPPYLXEBGOSY-QHCPKHFHSA-N 1 2 436.537 2.705 40 0 IFABLO O=S1(=O)c2ccccc2O[C@]2(CC[N@@H+](Cc3cccnc3)C2)CN1Cc1ccccn1 ZINC000306145128 568774222 /nfs/dbraw/zinc/77/42/22/568774222.db2.gz ZZAPPYLXEBGOSY-QHCPKHFHSA-N 1 2 436.537 2.705 40 0 IFABLO CCOC(=O)[C@]1(C)[NH2+][C@H](c2sccc2C)[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 ZINC000231431132 569186029 /nfs/dbraw/zinc/18/60/29/569186029.db2.gz GOVUQBBUCNXHLN-DBHNTLKXSA-N 1 2 428.510 2.837 40 0 IFABLO CCOC(=O)[C@]1(C)[NH2+][C@H](c2sccc2C)[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 ZINC000245229821 569205248 /nfs/dbraw/zinc/20/52/48/569205248.db2.gz GOVUQBBUCNXHLN-TXXWUTRGSA-N 1 2 428.510 2.837 40 0 IFABLO Cc1nc([C@@H]2CCN(C(=O)CCn3cc[nH+]c3-c3ccccc3)C2)nc2c1CCC(=O)N2C ZINC000019738787 569236008 /nfs/dbraw/zinc/23/60/08/569236008.db2.gz CZIAXYMFRAGNBG-LJQANCHMSA-N 1 2 444.539 2.964 40 0 IFABLO CC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000030881614 291341962 /nfs/dbraw/zinc/34/19/62/291341962.db2.gz SZKXNWFXCSYGBQ-ACRUOGEOSA-N 1 2 448.633 2.524 40 0 biogenic,in-vitro IFABLO CC1=C[C@@H](CNC(=O)c2ccncc2)[C@H](C(C)C)C[C@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000030879989 291342016 /nfs/dbraw/zinc/34/20/16/291342016.db2.gz VJYCJOMHMGSEEK-VABKMULXSA-N 1 2 442.604 2.505 40 0 biogenic,in-vitro IFABLO CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc(OC)c(C)c1 ZINC000223230640 193954971 /nfs/dbraw/zinc/95/49/71/193954971.db2.gz GGYYHOPCFDFCOR-OAQYLSRUSA-N 1 2 445.585 2.821 40 0 IFABLO CCn1c(SC)nnc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2N2CCOCC2)C1 ZINC000013565191 132350205 /nfs/dbraw/zinc/35/02/05/132350205.db2.gz ODZQRPUZDCIDIV-QGZVFWFLSA-N 1 2 444.605 2.675 40 0 IFABLO CCn1c(SC)nnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2N2CCOCC2)C1 ZINC000013565191 132350206 /nfs/dbraw/zinc/35/02/06/132350206.db2.gz ODZQRPUZDCIDIV-QGZVFWFLSA-N 1 2 444.605 2.675 40 0 IFABLO CC(C)[C@H](c1nnnn1Cc1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020140883 519824283 /nfs/dbraw/zinc/82/42/83/519824283.db2.gz PQVFJSAIIGKSQK-HSZRJFAPSA-N 1 2 434.544 2.965 40 0 IFABLO Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)c1 ZINC000020451163 524117525 /nfs/dbraw/zinc/11/75/25/524117525.db2.gz VOQNJWYTOKAGBP-SFHVURJKSA-N 1 2 426.542 2.960 40 0 IFABLO COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022251701 524357430 /nfs/dbraw/zinc/35/74/30/524357430.db2.gz VFACEVKTXWPNEC-JXMROGBWSA-N 1 2 443.569 2.562 40 0 IFABLO NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4Cc4cccnc4)n3)ccn2)CC1 ZINC000035424712 526857346 /nfs/dbraw/zinc/85/73/46/526857346.db2.gz SYFNQKFBXFJNGO-IBGZPJMESA-N 1 2 433.516 2.565 40 0 biogenic,in-vitro IFABLO NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4Cc4cccnc4)n3)ccn2)CC1 ZINC000035424712 526857355 /nfs/dbraw/zinc/85/73/55/526857355.db2.gz SYFNQKFBXFJNGO-IBGZPJMESA-N 1 2 433.516 2.565 40 0 biogenic,in-vitro IFABLO NC(=O)C1CCN(c2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4cccnc4)n3)cn2)CC1 ZINC000035425352 526858012 /nfs/dbraw/zinc/85/80/12/526858012.db2.gz ZOMPBCRVVYDONX-IBGZPJMESA-N 1 2 433.516 2.565 40 0 biogenic,in-vitro IFABLO NC(=O)C1CCN(c2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4cccnc4)n3)cn2)CC1 ZINC000035425352 526858018 /nfs/dbraw/zinc/85/80/18/526858018.db2.gz ZOMPBCRVVYDONX-IBGZPJMESA-N 1 2 433.516 2.565 40 0 biogenic,in-vitro IFABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@H](C(=O)Nc1ccc(Br)cc1)CC(=O)N2 ZINC000020635645 527555087 /nfs/dbraw/zinc/55/50/87/527555087.db2.gz YLALCVOXFDNGFV-CYBMUJFWSA-N 1 2 445.321 2.876 40 0 IFABLO Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3cc[nH+]c3)cc2)c1 ZINC000408593681 555959889 /nfs/dbraw/zinc/95/98/89/555959889.db2.gz NTAWGDQEROTOBD-UHFFFAOYSA-N 1 2 428.514 2.578 40 0 IFABLO O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCCn1cc[nH+]c1 ZINC000408615675 555986749 /nfs/dbraw/zinc/98/67/49/555986749.db2.gz CARFGAZFLMKHRO-UHFFFAOYSA-N 1 2 432.933 2.938 40 0 IFABLO O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccccc1C[NH2+]CC2=O)NCc1cccnc1 ZINC000067878820 556581268 /nfs/dbraw/zinc/58/12/68/556581268.db2.gz ZBCRDHSXAQMVKX-UNMCSNQZSA-N 1 2 436.556 2.515 40 0 IFABLO COc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)cc1Cl ZINC000038773063 556619810 /nfs/dbraw/zinc/61/98/10/556619810.db2.gz BFUGBBHWTNLROD-UHFFFAOYSA-N 1 2 448.932 2.617 40 0 IFABLO CCc1nc2nc3ccn(CC[NH+]4CCOCC4)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 ZINC000038828903 556620786 /nfs/dbraw/zinc/62/07/86/556620786.db2.gz ADEMDBDCOJQPSG-UHFFFAOYSA-N 1 2 438.919 2.654 40 0 IFABLO O[C@@H]1C[C@@H]2C[N@H+](Cc3cccnc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)N2C1 ZINC000514290326 556626494 /nfs/dbraw/zinc/62/64/94/556626494.db2.gz XKBSDZZMVRBENA-NHCUHLMSSA-N 1 2 432.490 2.606 40 0 biogenic,in-vitro IFABLO O[C@@H]1C[C@@H]2C[N@@H+](Cc3cccnc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)N2C1 ZINC000514290326 556626496 /nfs/dbraw/zinc/62/64/96/556626496.db2.gz XKBSDZZMVRBENA-NHCUHLMSSA-N 1 2 432.490 2.606 40 0 biogenic,in-vitro IFABLO COCc1nn2c(nnc3c(=O)n(CCc4c[nH+]c[nH]4)ccc32)c1-c1ccc(Cl)cc1 ZINC000040396180 556638713 /nfs/dbraw/zinc/63/87/13/556638713.db2.gz CZYOOPZIXSPYRZ-UHFFFAOYSA-N 1 2 435.875 2.872 40 0 IFABLO COCc1nn2c(nnc3c(=O)n(CCc4c[nH]c[nH+]4)ccc32)c1-c1ccc(Cl)cc1 ZINC000040396180 556638718 /nfs/dbraw/zinc/63/87/18/556638718.db2.gz CZYOOPZIXSPYRZ-UHFFFAOYSA-N 1 2 435.875 2.872 40 0 IFABLO COc1ccc(-c2cccc(CC3(C(=O)N4CC[NH+](CCO)CC4)CCOCC3)c2)cc1 ZINC000257322177 556704566 /nfs/dbraw/zinc/70/45/66/556704566.db2.gz WEWJFOJAJGUKCX-UHFFFAOYSA-N 1 2 438.568 2.838 40 0 IFABLO COc1ccc([C@@H]2CN(C(=O)c3ccccc3C[NH+]3CCOCC3)CCN2C(C)=O)cc1 ZINC000257231155 556708993 /nfs/dbraw/zinc/70/89/93/556708993.db2.gz GFOMTSRJPNSWFX-DEOSSOPVSA-N 1 2 437.540 2.573 40 0 IFABLO COCCn1nnnc1C[N@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000019222158 556716191 /nfs/dbraw/zinc/71/61/91/556716191.db2.gz DILNJUBBTOUFLB-UHFFFAOYSA-N 1 2 432.528 2.714 40 0 IFABLO COCCn1nnnc1C[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000019222158 556716193 /nfs/dbraw/zinc/71/61/93/556716193.db2.gz DILNJUBBTOUFLB-UHFFFAOYSA-N 1 2 432.528 2.714 40 0 IFABLO Cc1cccc(-c2ccc(C[C@]3(C(=O)N(C)C)CN(C(=O)Cn4cc[nH+]c4)CCO3)cc2)c1 ZINC000019235365 556719714 /nfs/dbraw/zinc/71/97/14/556719714.db2.gz BNXHZDQVHBRCBS-AREMUKBSSA-N 1 2 446.551 2.787 40 0 IFABLO COc1cc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)ccc1O ZINC000019291266 556731447 /nfs/dbraw/zinc/73/14/47/556731447.db2.gz OGOYOMZMTHAZCW-QFIPXVFZSA-N 1 2 426.492 2.677 40 0 IFABLO CCOC(=O)Cn1nnnc1C[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000000926667 556753579 /nfs/dbraw/zinc/75/35/79/556753579.db2.gz WNUOAVQRQHVIBZ-UHFFFAOYSA-N 1 2 438.532 2.639 40 0 IFABLO CCOC(=O)Cn1nnnc1C[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000000926667 556753583 /nfs/dbraw/zinc/75/35/83/556753583.db2.gz WNUOAVQRQHVIBZ-UHFFFAOYSA-N 1 2 438.532 2.639 40 0 IFABLO Cc1ncsc1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)CC1 ZINC000019562062 556803377 /nfs/dbraw/zinc/80/33/77/556803377.db2.gz ODYREGANBDWSEI-UHFFFAOYSA-N 1 2 440.573 2.986 40 0 IFABLO Cc1ncsc1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)CC1 ZINC000019562062 556803381 /nfs/dbraw/zinc/80/33/81/556803381.db2.gz ODYREGANBDWSEI-UHFFFAOYSA-N 1 2 440.573 2.986 40 0 IFABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)[NH+]3CCCCCC3)cc2c1 ZINC000004537622 556822987 /nfs/dbraw/zinc/82/29/87/556822987.db2.gz ALIAGIPXKABJHF-HXUWFJFHSA-N 1 2 426.521 2.525 40 0 IFABLO COc1ccc2cc(C[N@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCC3)c(=O)[nH]c2c1 ZINC000006282820 556831424 /nfs/dbraw/zinc/83/14/24/556831424.db2.gz UHEZEDBFFHOQKM-HXUWFJFHSA-N 1 2 438.532 2.647 40 0 IFABLO COc1ccc2cc(C[N@@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCC3)c(=O)[nH]c2c1 ZINC000006282820 556831427 /nfs/dbraw/zinc/83/14/27/556831427.db2.gz UHEZEDBFFHOQKM-HXUWFJFHSA-N 1 2 438.532 2.647 40 0 IFABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc4c(c3)OCO4)[NH+]3CCCC3)c(=O)[nH]c12 ZINC000008582587 556842021 /nfs/dbraw/zinc/84/20/21/556842021.db2.gz RYCAEYBFASCZEV-QFIPXVFZSA-N 1 2 444.495 2.785 40 0 aggregator IFABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000068725518 556849647 /nfs/dbraw/zinc/84/96/47/556849647.db2.gz UMPRFTLZDLDPJW-UHFFFAOYSA-N 1 2 441.475 2.572 40 0 IFABLO Cc1nonc1NC(=O)C[NH+]1CCC([C@@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019698385 556856399 /nfs/dbraw/zinc/85/63/99/556856399.db2.gz RTZMBBMWTZDSLV-FQEVSTJZSA-N 1 2 441.507 2.773 40 0 IFABLO COc1cc(C[N@H+](C)Cc2nc([C@H]3CC(=O)N(C)C3)cc(N(C)C)n2)ccc1OC(C)C ZINC000019700992 556860732 /nfs/dbraw/zinc/86/07/32/556860732.db2.gz SLAVUGMFXLDEIU-SFHVURJKSA-N 1 2 441.576 2.916 40 0 IFABLO COc1cc(C[N@@H+](C)Cc2nc([C@H]3CC(=O)N(C)C3)cc(N(C)C)n2)ccc1OC(C)C ZINC000019700992 556860735 /nfs/dbraw/zinc/86/07/35/556860735.db2.gz SLAVUGMFXLDEIU-SFHVURJKSA-N 1 2 441.576 2.916 40 0 IFABLO CN(C)c1nc([C@H]2CCCCN2C(=O)COc2ccc(F)cc2)nc2c1C[N@H+](C)CC2 ZINC000019710412 556872990 /nfs/dbraw/zinc/87/29/90/556872990.db2.gz LSGGWNROUGYZKG-HXUWFJFHSA-N 1 2 427.524 2.802 40 0 IFABLO CN(C)c1nc([C@H]2CCCCN2C(=O)COc2ccc(F)cc2)nc2c1C[N@@H+](C)CC2 ZINC000019710412 556872995 /nfs/dbraw/zinc/87/29/95/556872995.db2.gz LSGGWNROUGYZKG-HXUWFJFHSA-N 1 2 427.524 2.802 40 0 IFABLO Cn1cc[nH+]c1[C@H](NC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CC1 ZINC000019748782 556893181 /nfs/dbraw/zinc/89/31/81/556893181.db2.gz YNCOIAIGMSPKRP-HXUWFJFHSA-N 1 2 434.537 2.618 40 0 IFABLO Cc1[nH]c2ccc(NC(=O)Cn3cc(C(=O)NCc4ccc(F)cc4)ccc3=O)cc2[nH+]1 ZINC000019751449 556895495 /nfs/dbraw/zinc/89/54/95/556895495.db2.gz MDYCINKQJHJFHC-UHFFFAOYSA-N 1 2 433.443 2.741 40 0 IFABLO O=C([C@H]1C[C@@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1)N1CC[NH+](Cc2ccco2)CC1 ZINC000072327032 556903640 /nfs/dbraw/zinc/90/36/40/556903640.db2.gz HXLRSHTYWMWOBI-VNAHJIIRSA-N 1 2 434.540 2.912 40 0 IFABLO CCn1c(C[NH+]2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)nc2ccccc21 ZINC000072338933 556911371 /nfs/dbraw/zinc/91/13/71/556911371.db2.gz DNAZZJRQIHAJSX-QFIPXVFZSA-N 1 2 425.558 2.998 40 0 IFABLO O=C(C[C@@H]1C(=O)N(CCCn2cc[nH+]c2)c2nc3ccccc3n21)NCc1ccccc1 ZINC000019819501 556922837 /nfs/dbraw/zinc/92/28/37/556922837.db2.gz ACCLUOCOBSXPAC-OAQYLSRUSA-N 1 2 428.496 2.917 40 0 IFABLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1C[N@H+](Cc1cc(COC)ccc1OC)CC2 ZINC000072372379 556942625 /nfs/dbraw/zinc/94/26/25/556942625.db2.gz GVMIJVOEOHNNLB-NRFANRHFSA-N 1 2 439.560 2.915 40 0 IFABLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1C[N@@H+](Cc1cc(COC)ccc1OC)CC2 ZINC000072372379 556942629 /nfs/dbraw/zinc/94/26/29/556942629.db2.gz GVMIJVOEOHNNLB-NRFANRHFSA-N 1 2 439.560 2.915 40 0 IFABLO COCC[NH+]1CCN(C(=O)C2(Cc3cc(-c4cccc(C)c4)no3)CCOCC2)CC1 ZINC000072394541 556965853 /nfs/dbraw/zinc/96/58/53/556965853.db2.gz WGAUSDWLBLBYIN-UHFFFAOYSA-N 1 2 427.545 2.780 40 0 IFABLO O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020039146 556971151 /nfs/dbraw/zinc/97/11/51/556971151.db2.gz HNNPZFQUQOWAAR-UHFFFAOYSA-N 1 2 429.542 2.556 40 0 IFABLO COc1ccc(/C=C/C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(OC)c1OC ZINC000409409926 557102998 /nfs/dbraw/zinc/10/29/98/557102998.db2.gz KAZJBTHBAAOMAD-RMKNXTFCSA-N 1 2 440.496 2.799 40 0 IFABLO Cc1ccc(N([C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)cc1C ZINC000216443571 557146219 /nfs/dbraw/zinc/14/62/19/557146219.db2.gz QBIHDBGWNGSPQW-SFHVURJKSA-N 1 2 426.542 2.960 40 0 IFABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCC3)cc2c1 ZINC000006196994 557149317 /nfs/dbraw/zinc/14/93/17/557149317.db2.gz LCJVLPGOFNLIJO-WIYYLYMNSA-N 1 2 438.532 2.668 40 0 IFABLO O=C(NCC[NH+]1CCOCC1)c1cc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 ZINC000096154903 557178953 /nfs/dbraw/zinc/17/89/53/557178953.db2.gz YMZRMOBJPMRUFF-UHFFFAOYSA-N 1 2 429.524 2.913 40 0 IFABLO O=C(NC1CCCC1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251448 557188572 /nfs/dbraw/zinc/18/85/72/557188572.db2.gz PKWXVYBFAYNZJL-CYFREDJKSA-N 1 2 425.577 2.778 40 0 IFABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCOC[C@H](Cc2cccc3n[nH]cc32)C1 ZINC000585261888 557197193 /nfs/dbraw/zinc/19/71/93/557197193.db2.gz KJHYFMCCZSTKLM-LJQANCHMSA-N 1 2 434.540 2.726 40 0 IFABLO COCC(=O)N1CCc2c(nc3cc(C4CC[NH+](C[C@@H]5CC=CCC5)CC4)[nH]n3c2=O)C1 ZINC000100232750 557250105 /nfs/dbraw/zinc/25/01/05/557250105.db2.gz BZBBCEFWWLIVAI-QGZVFWFLSA-N 1 2 439.560 2.502 40 0 IFABLO COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(O)CC3)c(=O)[nH]c2c1 ZINC000057594693 557254031 /nfs/dbraw/zinc/25/40/31/557254031.db2.gz FAPMUZPLKRJQOL-OAQYLSRUSA-N 1 2 438.532 2.575 40 0 IFABLO CCOC(=O)Cc1csc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)n1 ZINC000057710322 557258846 /nfs/dbraw/zinc/25/88/46/557258846.db2.gz UTWVZMVBPOEJKA-VSOVRNOCSA-N 1 2 447.532 2.841 40 0 IFABLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)n1 ZINC000057710322 557258847 /nfs/dbraw/zinc/25/88/47/557258847.db2.gz UTWVZMVBPOEJKA-VSOVRNOCSA-N 1 2 447.532 2.841 40 0 IFABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](C)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013510403 557331998 /nfs/dbraw/zinc/33/19/98/557331998.db2.gz CHCALWRKVHHVJW-GOSISDBHSA-N 1 2 432.528 2.817 40 0 IFABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@H](C)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013510403 557332000 /nfs/dbraw/zinc/33/20/00/557332000.db2.gz CHCALWRKVHHVJW-GOSISDBHSA-N 1 2 432.528 2.817 40 0 IFABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1CC[NH+]1CCOCC1 ZINC000223126769 557435447 /nfs/dbraw/zinc/43/54/47/557435447.db2.gz APORXRLDGGUEEX-FCHUYYIVSA-N 1 2 434.569 2.572 40 0 IFABLO Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)n1-c1cccnc1 ZINC000223133937 557436870 /nfs/dbraw/zinc/43/68/70/557436870.db2.gz AOSVNYYXTIDCSH-DHIUTWEWSA-N 1 2 448.596 2.880 40 0 IFABLO COc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2N2CC[NH+](C)CC2)cc1 ZINC000223427754 557471357 /nfs/dbraw/zinc/47/13/57/557471357.db2.gz ASNAZHIVFMVECY-UHFFFAOYSA-N 1 2 447.557 2.813 40 0 IFABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=S)NCC(C)C)c(=O)[nH]c2c1C ZINC000019823423 557507975 /nfs/dbraw/zinc/50/79/75/557507975.db2.gz NZWOSCFHCKIZNH-UHFFFAOYSA-N 1 2 430.618 2.810 40 0 IFABLO CCCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000019823757 557508141 /nfs/dbraw/zinc/50/81/41/557508141.db2.gz CGKPEFDPGKZQQX-UHFFFAOYSA-N 1 2 430.618 2.954 40 0 IFABLO CCc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000223961270 557535148 /nfs/dbraw/zinc/53/51/48/557535148.db2.gz NNZGGFDRLTVQSE-SFHVURJKSA-N 1 2 429.586 2.817 40 0 IFABLO COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCCn3cc[nH+]c3)c2)cc1 ZINC000224285211 557585901 /nfs/dbraw/zinc/58/59/01/557585901.db2.gz RXZOWBAQZKNRRN-UHFFFAOYSA-N 1 2 428.514 2.537 40 0 IFABLO CC[N@H+](CCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(C)cc1 ZINC000225091901 557687013 /nfs/dbraw/zinc/68/70/13/557687013.db2.gz IWZCSXQWHBYHNB-UHFFFAOYSA-N 1 2 429.542 2.843 40 0 IFABLO CC[N@@H+](CCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(C)cc1 ZINC000225091901 557687014 /nfs/dbraw/zinc/68/70/14/557687014.db2.gz IWZCSXQWHBYHNB-UHFFFAOYSA-N 1 2 429.542 2.843 40 0 IFABLO COc1ccc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000225318349 557711266 /nfs/dbraw/zinc/71/12/66/557711266.db2.gz SDNMNXIBZKWPKR-UHFFFAOYSA-N 1 2 431.558 2.511 40 0 IFABLO CCCn1c2ccc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2sc1=O ZINC000225724108 557768948 /nfs/dbraw/zinc/76/89/48/557768948.db2.gz OCTXWIGJRGUVFU-UHFFFAOYSA-N 1 2 431.583 2.980 40 0 IFABLO CCc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)cc1 ZINC000225776908 557776335 /nfs/dbraw/zinc/77/63/35/557776335.db2.gz OXBVXZQJXKLLNH-GOSISDBHSA-N 1 2 429.586 2.985 40 0 IFABLO c1cncc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000096900874 557838794 /nfs/dbraw/zinc/83/87/94/557838794.db2.gz HOERYMIIMXODNO-QHCPKHFHSA-N 1 2 447.543 2.819 40 0 IFABLO COc1ccc(NC(C)=O)c(NC(=O)CN2CC[N@H+](C)[C@H](c3ccccc3OC)C2)c1 ZINC000257211650 568670467 /nfs/dbraw/zinc/67/04/67/568670467.db2.gz BZSNITSYEGWOTJ-NRFANRHFSA-N 1 2 426.517 2.589 40 0 IFABLO COc1ccc(NC(C)=O)c(NC(=O)CN2CC[N@@H+](C)[C@H](c3ccccc3OC)C2)c1 ZINC000257211650 568670470 /nfs/dbraw/zinc/67/04/70/568670470.db2.gz BZSNITSYEGWOTJ-NRFANRHFSA-N 1 2 426.517 2.589 40 0 IFABLO Cn1c2ccc(C[N@@H+]3CCO[C@@H](c4ccc(Nc5ccccn5)cn4)C3)cc2n(C)c1=O ZINC000257226447 568677313 /nfs/dbraw/zinc/67/73/13/568677313.db2.gz FKQINSKUBVQJFO-JOCHJYFZSA-N 1 2 430.512 2.984 40 0 IFABLO Cn1c2ccc(C[N@H+]3CCO[C@@H](c4ccc(Nc5ccccn5)cn4)C3)cc2n(C)c1=O ZINC000257226447 568677315 /nfs/dbraw/zinc/67/73/15/568677315.db2.gz FKQINSKUBVQJFO-JOCHJYFZSA-N 1 2 430.512 2.984 40 0 IFABLO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)c1n[nH]c2ccccc21 ZINC000257226883 568677660 /nfs/dbraw/zinc/67/76/60/568677660.db2.gz FMPKZCULOUKFTB-JQYIIUTOSA-N 1 2 448.567 2.866 40 0 IFABLO CC1(C)CC2(CN1S(C)(=O)=O)CC[NH+](CC(=O)Nc1ccc(OC(F)F)cc1)CC2 ZINC000257250806 568689014 /nfs/dbraw/zinc/68/90/14/568689014.db2.gz JOBUNIZYZXHSMS-UHFFFAOYSA-N 1 2 445.532 2.753 40 0 IFABLO Cc1nc2cc([C@@H]3CCC[N@@H+]3Cc3cccnc3)nn2c(C)c1CCC(=O)N1CCOCC1 ZINC000257253899 568690291 /nfs/dbraw/zinc/69/02/91/568690291.db2.gz KASYPIOIQIGGAH-QHCPKHFHSA-N 1 2 448.571 2.870 40 0 IFABLO Cc1nc2cc([C@@H]3CCC[N@H+]3Cc3cccnc3)nn2c(C)c1CCC(=O)N1CCOCC1 ZINC000257253899 568690294 /nfs/dbraw/zinc/69/02/94/568690294.db2.gz KASYPIOIQIGGAH-QHCPKHFHSA-N 1 2 448.571 2.870 40 0 IFABLO COc1cc(C)c(C)cc1S(=O)(=O)N1CC[C@@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000257260817 568693473 /nfs/dbraw/zinc/69/34/73/568693473.db2.gz LENDMXUJAXXJCP-QGZVFWFLSA-N 1 2 439.541 2.924 40 0 IFABLO CN1C(=O)N(CC(=O)N2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)C(=O)C12CCCCC2 ZINC000257308291 568714692 /nfs/dbraw/zinc/71/46/92/568714692.db2.gz TWEWXUSPOJLLRF-SFHVURJKSA-N 1 2 436.516 2.528 40 0 IFABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC000257333418 568725702 /nfs/dbraw/zinc/72/57/02/568725702.db2.gz YBKYGJOTDMUBEO-QGZVFWFLSA-N 1 2 427.530 2.850 40 0 IFABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC000257333418 568725705 /nfs/dbraw/zinc/72/57/05/568725705.db2.gz YBKYGJOTDMUBEO-QGZVFWFLSA-N 1 2 427.530 2.850 40 0 IFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(C(=O)OC)cc1 ZINC000261365714 568733751 /nfs/dbraw/zinc/73/37/51/568733751.db2.gz UVAUZLDATHIIKA-HXUWFJFHSA-O 1 2 437.501 2.949 40 0 IFABLO O=C(c1ccco1)N1CCN(CC2CC2)[C@@H](c2cn3c(cccc3N3CCOCC3)[nH+]2)C1 ZINC000306123349 568762484 /nfs/dbraw/zinc/76/24/84/568762484.db2.gz AKQBJVCISXERAP-HXUWFJFHSA-N 1 2 435.528 2.673 40 0 IFABLO Cc1cc(C[NH+]2CCC3(CC2)Cc2nnc(C(=O)NCC4CC4)n2-c2ccccc2O3)no1 ZINC000306137234 568769832 /nfs/dbraw/zinc/76/98/32/568769832.db2.gz QQALUVGGMMMAIR-UHFFFAOYSA-N 1 2 448.527 2.673 40 0 IFABLO Cc1nc(C[N@@H+]2C[C@@H]3ON=C(N4CCC(C(=O)NCc5ccccc5)CC4)[C@H]3C2)cs1 ZINC000306140065 568771449 /nfs/dbraw/zinc/77/14/49/568771449.db2.gz UILRXKMTJBIQOX-SFTDATJTSA-N 1 2 439.585 2.624 40 0 IFABLO Cc1nc(C[N@H+]2C[C@@H]3ON=C(N4CCC(C(=O)NCc5ccccc5)CC4)[C@H]3C2)cs1 ZINC000306140065 568771451 /nfs/dbraw/zinc/77/14/51/568771451.db2.gz UILRXKMTJBIQOX-SFTDATJTSA-N 1 2 439.585 2.624 40 0 IFABLO C[C@H](CO)Nc1nc(NCCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328978331 568808244 /nfs/dbraw/zinc/80/82/44/568808244.db2.gz FXPORQYKQSOHST-CQSZACIVSA-N 1 2 433.434 2.728 40 0 IFABLO COC(=O)[C@]1(CCSC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245229800 569205293 /nfs/dbraw/zinc/20/52/93/569205293.db2.gz FXGOZSQZXFQEMS-ZGPJWRFFSA-N 1 2 430.551 2.863 40 0 IFABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)C2)s1 ZINC000019693035 569228556 /nfs/dbraw/zinc/22/85/56/569228556.db2.gz HCOHWYBJQPUUIC-LJQANCHMSA-N 1 2 438.557 2.647 40 0 IFABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)C2)s1 ZINC000019693035 569228557 /nfs/dbraw/zinc/22/85/57/569228557.db2.gz HCOHWYBJQPUUIC-LJQANCHMSA-N 1 2 438.557 2.647 40 0 IFABLO Cc1nn2c(nccc2[C@H]2CN(C(=O)CCC3CCCC3)CCO2)c1C[NH+]1CCOCC1 ZINC000019707752 569234679 /nfs/dbraw/zinc/23/46/79/569234679.db2.gz VARQJOWOQJZUJM-JOCHJYFZSA-N 1 2 441.576 2.740 40 0 IFABLO CC(C)(C)C(=O)NC1CC[NH+](CC(=O)Nc2cccc(I)c2)CC1 ZINC000012644474 518572490 /nfs/dbraw/zinc/57/24/90/518572490.db2.gz MOKGMMKBOYFFTA-UHFFFAOYSA-N 1 2 443.329 2.856 40 0 IFABLO COCCN1C[C@H](c2cc(N(C)C)nc(C[N@H+](C)Cc3cccc(Cl)c3)n2)CC1=O ZINC000072352056 523888210 /nfs/dbraw/zinc/88/82/10/523888210.db2.gz JCVHBKJMPINRIQ-QGZVFWFLSA-N 1 2 431.968 2.790 40 0 IFABLO COCCN1C[C@H](c2cc(N(C)C)nc(C[N@@H+](C)Cc3cccc(Cl)c3)n2)CC1=O ZINC000072352056 523888214 /nfs/dbraw/zinc/88/82/14/523888214.db2.gz JCVHBKJMPINRIQ-QGZVFWFLSA-N 1 2 431.968 2.790 40 0 IFABLO O=C(NCCC[NH+]1CCOCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000022508906 527672350 /nfs/dbraw/zinc/67/23/50/527672350.db2.gz PQFNYXGEPWFMGO-UHFFFAOYSA-N 1 2 437.949 2.593 40 0 IFABLO CCC[NH2+]CC(=O)O[C@]1(CC)c2cc3n(c(=O)c2COC1=O)Cc1cc2ccccc2nc1-3 ZINC000001609316 555705766 /nfs/dbraw/zinc/70/57/66/555705766.db2.gz WSYVQVSIRSEFSJ-RUZDIDTESA-N 1 2 447.491 2.630 40 0 IFABLO CCOc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1NC(=O)c1ccccc1 ZINC000408586519 555939132 /nfs/dbraw/zinc/93/91/32/555939132.db2.gz ALGMWLDEACFKRR-UHFFFAOYSA-N 1 2 428.514 2.903 40 0 IFABLO CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1cc(Cl)c(Cl)cc1Cl ZINC000408614726 555985627 /nfs/dbraw/zinc/98/56/27/555985627.db2.gz GWFLVMLQRRSVQP-UHFFFAOYSA-N 1 2 439.752 2.816 40 0 IFABLO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)cc1 ZINC000408626826 555997809 /nfs/dbraw/zinc/99/78/09/555997809.db2.gz XOVJICRSBOAEFC-UHFFFAOYSA-N 1 2 428.514 2.537 40 0 IFABLO COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000408701440 556104507 /nfs/dbraw/zinc/10/45/07/556104507.db2.gz XZPAFRHKCSFMLV-UHFFFAOYSA-N 1 2 448.589 2.622 40 0 IFABLO Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)c1 ZINC000030847213 556507548 /nfs/dbraw/zinc/50/75/48/556507548.db2.gz GXKPYDBMNJPCOI-SFHVURJKSA-N 1 2 426.542 2.960 40 0 IFABLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072003761 556609757 /nfs/dbraw/zinc/60/97/57/556609757.db2.gz LMTKZMPIMPVEEZ-MOTZXUDYSA-N 1 2 447.988 2.864 40 0 IFABLO Cc1ccc2c(c1)C(=O)CC1(CC[NH+](CC(=O)N3CCN(c4ccccn4)CC3)CC1)O2 ZINC000019218309 556713418 /nfs/dbraw/zinc/71/34/18/556713418.db2.gz YRWFGFBWDHYULG-UHFFFAOYSA-N 1 2 434.540 2.539 40 0 IFABLO O=C(C[N@@H+]1CCc2[nH]nc(-c3ccccc3F)c2C1)N1CCC[C@@H](c2csnn2)C1 ZINC000019368304 556746249 /nfs/dbraw/zinc/74/62/49/556746249.db2.gz UWEGHCHHJMKLLL-CQSZACIVSA-N 1 2 426.521 2.832 40 0 IFABLO O=C(C[N@H+]1CCc2[nH]nc(-c3ccccc3F)c2C1)N1CCC[C@@H](c2csnn2)C1 ZINC000019368304 556746251 /nfs/dbraw/zinc/74/62/51/556746251.db2.gz UWEGHCHHJMKLLL-CQSZACIVSA-N 1 2 426.521 2.832 40 0 IFABLO CCOc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000001348225 556780237 /nfs/dbraw/zinc/78/02/37/556780237.db2.gz HXEMHDGGKHAKLK-OAQYLSRUSA-N 1 2 438.507 2.546 40 0 IFABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)[NH+]3CCCCCC3)cc2c1 ZINC000004537618 556823005 /nfs/dbraw/zinc/82/30/05/556823005.db2.gz ALIAGIPXKABJHF-FQEVSTJZSA-N 1 2 426.521 2.525 40 0 IFABLO CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@H+](C)CC2=CCCOC2)n1 ZINC000019700933 556860624 /nfs/dbraw/zinc/86/06/24/556860624.db2.gz KRLMTTVHOGEUED-QGZVFWFLSA-N 1 2 425.508 2.956 40 0 IFABLO CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@@H+](C)CC2=CCCOC2)n1 ZINC000019700933 556860627 /nfs/dbraw/zinc/86/06/27/556860627.db2.gz KRLMTTVHOGEUED-QGZVFWFLSA-N 1 2 425.508 2.956 40 0 IFABLO COc1ccc(CN(C)c2nc([C@@H]3CCC[N@@H+]3C)nc3c2CN(C(C)=O)CC3)cc1OC ZINC000019710818 556874310 /nfs/dbraw/zinc/87/43/10/556874310.db2.gz VFBYIMDVTHCZSH-FQEVSTJZSA-N 1 2 439.560 2.802 40 0 IFABLO COc1ccc(CN(C)c2nc([C@@H]3CCC[N@H+]3C)nc3c2CN(C(C)=O)CC3)cc1OC ZINC000019710818 556874313 /nfs/dbraw/zinc/87/43/13/556874313.db2.gz VFBYIMDVTHCZSH-FQEVSTJZSA-N 1 2 439.560 2.802 40 0 IFABLO [NH3+]c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(-n2cnnc2)c1 ZINC000070461838 556875638 /nfs/dbraw/zinc/87/56/38/556875638.db2.gz RPKMWASUIUWREM-UHFFFAOYSA-N 1 2 427.306 2.574 40 0 IFABLO Cc1cc(-c2cc3nc4c(c(NC[C@H](O)C[NH+]5CCOCC5)n3n2)CCCC4)c(C)o1 ZINC000072337450 556910249 /nfs/dbraw/zinc/91/02/49/556910249.db2.gz LWMZJABUNNCAAS-KRWDZBQOSA-N 1 2 425.533 2.590 40 0 IFABLO COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2[nH+]c(N3CCCCC3)nc(N)c21 ZINC000019819915 556923395 /nfs/dbraw/zinc/92/33/95/556923395.db2.gz NZDVHQDBIOQXLJ-GFCCVEGCSA-N 1 2 430.896 2.776 40 0 IFABLO COc1c(C)cnc(C[NH+]2CCC3(CC2)CN(S(C)(=O)=O)Cc2ccccc2O3)c1C ZINC000072394442 556965941 /nfs/dbraw/zinc/96/59/41/556965941.db2.gz SSMRRSYXHHRNAE-UHFFFAOYSA-N 1 2 445.585 2.896 40 0 IFABLO CC[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000020111382 556986033 /nfs/dbraw/zinc/98/60/33/556986033.db2.gz NPUVNPMAAORRGX-IBGZPJMESA-N 1 2 430.505 2.872 40 0 IFABLO c1nnc2ncn3[nH]c(C45C[C@H]6C[C@@H](C4)CC(n4nnc(-c7ccccc7)n4)(C6)C5)[nH+]c3c1-2 ZINC000013960048 557046449 /nfs/dbraw/zinc/04/64/49/557046449.db2.gz FLGNIEGUMAQBTA-CBKSTNSXSA-N 1 2 438.499 2.901 40 0 IFABLO Cc1ccc(C[N@@H+]2C[C@@H]3c4nc(N5CCC[C@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)cc1 ZINC000096251971 557189028 /nfs/dbraw/zinc/18/90/28/557189028.db2.gz RMRVTUMGJRUGPY-DZFGPLHGSA-N 1 2 426.586 2.918 40 0 IFABLO Cc1ccc(C[N@H+]2C[C@@H]3c4nc(N5CCC[C@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)cc1 ZINC000096251971 557189030 /nfs/dbraw/zinc/18/90/30/557189030.db2.gz RMRVTUMGJRUGPY-DZFGPLHGSA-N 1 2 426.586 2.918 40 0 IFABLO COc1ccc([C@@H]2CN(C(=O)c3ccccc3NC(=O)c3ccn(C)n3)CC[N@@H+]2C)cc1 ZINC000585261815 557197042 /nfs/dbraw/zinc/19/70/42/557197042.db2.gz PDHZFRGBQIKILZ-QFIPXVFZSA-N 1 2 433.512 2.810 40 0 IFABLO COc1ccc([C@@H]2CN(C(=O)c3ccccc3NC(=O)c3ccn(C)n3)CC[N@H+]2C)cc1 ZINC000585261815 557197044 /nfs/dbraw/zinc/19/70/44/557197044.db2.gz PDHZFRGBQIKILZ-QFIPXVFZSA-N 1 2 433.512 2.810 40 0 IFABLO O=C(C1CC1)N1CCc2nc3cc(C4CC[NH+](Cc5ccncc5)CC4)[nH]n3c(=O)c2C1 ZINC000100232606 557250138 /nfs/dbraw/zinc/25/01/38/557250138.db2.gz BIOMEVVBXCMWIP-UHFFFAOYSA-N 1 2 432.528 2.504 40 0 IFABLO COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)c3nnnn3c2c1 ZINC000013513737 557335061 /nfs/dbraw/zinc/33/50/61/557335061.db2.gz SHTFMVKRIXRIQD-HXUWFJFHSA-N 1 2 433.520 2.963 40 0 IFABLO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1NC(=O)c1ccccc1F ZINC000013566294 557344200 /nfs/dbraw/zinc/34/42/00/557344200.db2.gz DJRAUJRKUVKGBF-UHFFFAOYSA-N 1 2 432.477 2.652 40 0 IFABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000222922789 557403452 /nfs/dbraw/zinc/40/34/52/557403452.db2.gz OZESBRFMNDAHHB-HXUWFJFHSA-N 1 2 441.547 2.624 40 0 IFABLO COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1Cl ZINC000222947549 557407132 /nfs/dbraw/zinc/40/71/32/557407132.db2.gz YUZOHCCDVXNNDP-UHFFFAOYSA-N 1 2 437.949 2.845 40 0 IFABLO COc1ccc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1C ZINC000223362664 557462747 /nfs/dbraw/zinc/46/27/47/557462747.db2.gz ANIDWBOKFONQAV-UHFFFAOYSA-N 1 2 445.585 2.819 40 0 IFABLO CCc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)NCC(C)C)cc2c1 ZINC000019822934 557507936 /nfs/dbraw/zinc/50/79/36/557507936.db2.gz XVCXEERWMUXRBF-UHFFFAOYSA-N 1 2 430.618 2.755 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)N[C@@H](C)CC)cc2c1 ZINC000020081359 557514778 /nfs/dbraw/zinc/51/47/78/557514778.db2.gz CZSIUUAJFLEMPF-KRWDZBQOSA-N 1 2 446.617 2.734 40 0 IFABLO COC(=O)[C@]1(CCSC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000020150621 557516205 /nfs/dbraw/zinc/51/62/05/557516205.db2.gz FXGOZSQZXFQEMS-BIZBXSGISA-N 1 2 430.551 2.863 40 0 IFABLO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCn3cc[nH+]c3)cc2C)cc1 ZINC000224226419 557577568 /nfs/dbraw/zinc/57/75/68/557577568.db2.gz SFHZTCCVHCLRGK-UHFFFAOYSA-N 1 2 442.541 2.845 40 0 IFABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1S(=O)(=O)c1ccccc1 ZINC000015676434 560094712 /nfs/dbraw/zinc/09/47/12/560094712.db2.gz NPMNTJZCFHXLMV-IBGZPJMESA-N 1 2 445.928 2.873 40 0 biogenic,in-vitro IFABLO Cc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=O)NCc3ccccc3)cc2c1 ZINC000020109268 568624615 /nfs/dbraw/zinc/62/46/15/568624615.db2.gz HTTVJIQAYGXFBX-UHFFFAOYSA-N 1 2 434.540 2.881 40 0 IFABLO Cc1cccc(NC(=O)CCCC(=O)N2CC[C@H](c3n[nH]cc3-c3cc[nH+]c(N)c3)C2)n1 ZINC000257207852 568668663 /nfs/dbraw/zinc/66/86/63/568668663.db2.gz BJPMLFNORWFMLV-KRWDZBQOSA-N 1 2 433.516 2.882 40 0 IFABLO COc1ccc([C@H]2CN(CC(=O)Nc3ccc4c(c3)[nH+]c(C)n4C)CCN2C(C)=O)cc1 ZINC000257221552 568674978 /nfs/dbraw/zinc/67/49/78/568674978.db2.gz DPOFLYJZUJEFCT-HSZRJFAPSA-N 1 2 435.528 2.734 40 0 IFABLO Cc1cc(C(=O)N2CC[C@H](c3n[nH]cc3-c3cc[nH+]c(N)c3)C2)nc(N2CCCCC2)n1 ZINC000257237941 568682773 /nfs/dbraw/zinc/68/27/73/568682773.db2.gz HIXJCJUCHYJPOL-KRWDZBQOSA-N 1 2 432.532 2.772 40 0 IFABLO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ncc(Cc3ccccc3)s2)C1 ZINC000257264118 568694974 /nfs/dbraw/zinc/69/49/74/568694974.db2.gz LTAGUFTZAXIZDA-XMMPIXPASA-N 1 2 449.580 2.847 40 0 IFABLO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3)s2)C1 ZINC000257264118 568694975 /nfs/dbraw/zinc/69/49/75/568694975.db2.gz LTAGUFTZAXIZDA-XMMPIXPASA-N 1 2 449.580 2.847 40 0 IFABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C1)CO2 ZINC000257264257 568695364 /nfs/dbraw/zinc/69/53/64/568695364.db2.gz LTPZJOKDCITNOI-HSZRJFAPSA-N 1 2 431.496 2.979 40 0 IFABLO COc1ccc2c(c1)C=C(C[N@H+]1CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C1)CO2 ZINC000257264257 568695366 /nfs/dbraw/zinc/69/53/66/568695366.db2.gz LTPZJOKDCITNOI-HSZRJFAPSA-N 1 2 431.496 2.979 40 0 IFABLO CN(C[C@@]1(O)CCN(c2ccnc3cccnc32)C1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000257284340 568704058 /nfs/dbraw/zinc/70/40/58/568704058.db2.gz PCGPTVZYLUYBPC-VWLOTQADSA-N 1 2 442.523 2.588 40 0 IFABLO Cc1cc(C)n(CCCC(=O)N(C)C[C@@]2(O)CCCN(c3cc[nH+]c4ccncc43)C2)n1 ZINC000257302544 568712402 /nfs/dbraw/zinc/71/24/02/568712402.db2.gz SDGXEJQBDHNEGB-DEOSSOPVSA-N 1 2 436.560 2.713 40 0 IFABLO Cc1nonc1CN(C)C(=O)[C@@]1(C)CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000257316509 568718301 /nfs/dbraw/zinc/71/83/01/568718301.db2.gz VFXDTZRQACERGJ-QHCPKHFHSA-N 1 2 436.516 2.524 40 0 IFABLO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(Nc4ccccn4)n3)C2)ccc1OCC(N)=O ZINC000257322470 568720955 /nfs/dbraw/zinc/72/09/55/568720955.db2.gz WGCKYJZIHDURAP-NRFANRHFSA-N 1 2 449.511 2.666 40 0 IFABLO COc1cc(C[N@H+]2CCO[C@H](c3cccc(Nc4ccccn4)n3)C2)ccc1OCC(N)=O ZINC000257322470 568720958 /nfs/dbraw/zinc/72/09/58/568720958.db2.gz WGCKYJZIHDURAP-NRFANRHFSA-N 1 2 449.511 2.666 40 0 IFABLO O=C(C[N@H+]1C[C@@H](c2ccc(F)c(F)c2)[C@]2(C1)CCCC(=O)N2)NCCOc1ccccc1 ZINC000257341778 568729458 /nfs/dbraw/zinc/72/94/58/568729458.db2.gz ZLXWCWRPLPKOQG-YADARESESA-N 1 2 443.494 2.598 40 0 IFABLO O=C(C[N@@H+]1C[C@@H](c2ccc(F)c(F)c2)[C@]2(C1)CCCC(=O)N2)NCCOc1ccccc1 ZINC000257341778 568729459 /nfs/dbraw/zinc/72/94/59/568729459.db2.gz ZLXWCWRPLPKOQG-YADARESESA-N 1 2 443.494 2.598 40 0 IFABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3cccnc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306123057 568762523 /nfs/dbraw/zinc/76/25/23/568762523.db2.gz ADMQFTCXBKCIGN-SQJMNOBHSA-N 1 2 444.539 2.913 40 0 IFABLO COc1ccc(C[N@@H+]2CCO[C@@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)cc1 ZINC000306131214 568766789 /nfs/dbraw/zinc/76/67/89/568766789.db2.gz JYRUCQFLSDAJEM-HXUWFJFHSA-N 1 2 431.500 2.875 40 0 IFABLO COc1ccc(C[N@H+]2CCO[C@@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)cc1 ZINC000306131214 568766790 /nfs/dbraw/zinc/76/67/90/568766790.db2.gz JYRUCQFLSDAJEM-HXUWFJFHSA-N 1 2 431.500 2.875 40 0 IFABLO Cc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)Oc2ncccc2S(=O)(=O)N3Cc2ccccn2)c1 ZINC000306143251 568773217 /nfs/dbraw/zinc/77/32/17/568773217.db2.gz XXCLNCGGWFMQGK-RTWAWAEBSA-N 1 2 436.537 2.621 40 0 IFABLO Cc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)Oc2ncccc2S(=O)(=O)N3Cc2ccccn2)c1 ZINC000306143251 568773218 /nfs/dbraw/zinc/77/32/18/568773218.db2.gz XXCLNCGGWFMQGK-RTWAWAEBSA-N 1 2 436.537 2.621 40 0 IFABLO Cc1nc(C(=O)N2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccc(F)cc4)n23)cs1 ZINC000306144408 568773633 /nfs/dbraw/zinc/77/36/33/568773633.db2.gz ZEIVXGITRUGLCI-UHFFFAOYSA-N 1 2 426.521 2.926 40 0 IFABLO Cc1nc(C(=O)N2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4ccc(F)cc4)n23)cs1 ZINC000306144408 568773634 /nfs/dbraw/zinc/77/36/34/568773634.db2.gz ZEIVXGITRUGLCI-UHFFFAOYSA-N 1 2 426.521 2.926 40 0 IFABLO CCn1cc(C[N@@H+]2CCN(CC3CC3)[C@@H](c3cn4c(cccc4N4CCOCC4)n3)C2)cn1 ZINC000306145150 568774089 /nfs/dbraw/zinc/77/40/89/568774089.db2.gz ZZPBTSQOVUAMNI-HSZRJFAPSA-N 1 2 449.603 2.656 40 0 IFABLO CCn1cc(C[N@H+]2CCN(CC3CC3)[C@@H](c3cn4c(cccc4N4CCOCC4)n3)C2)cn1 ZINC000306145150 568774092 /nfs/dbraw/zinc/77/40/92/568774092.db2.gz ZZPBTSQOVUAMNI-HSZRJFAPSA-N 1 2 449.603 2.656 40 0 IFABLO CCn1cc(CN2CC[N@H+](CC3CC3)[C@@H](c3cn4c(cccc4N4CCOCC4)n3)C2)cn1 ZINC000306145150 568774095 /nfs/dbraw/zinc/77/40/95/568774095.db2.gz ZZPBTSQOVUAMNI-HSZRJFAPSA-N 1 2 449.603 2.656 40 0 IFABLO CCn1cc(CN2CC[N@@H+](CC3CC3)[C@@H](c3cn4c(cccc4N4CCOCC4)n3)C2)cn1 ZINC000306145150 568774097 /nfs/dbraw/zinc/77/40/97/568774097.db2.gz ZZPBTSQOVUAMNI-HSZRJFAPSA-N 1 2 449.603 2.656 40 0 IFABLO COc1ccc(C[N@@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1OC ZINC000019694974 569229429 /nfs/dbraw/zinc/22/94/29/569229429.db2.gz HTOSWJWOHCKTDB-OAQYLSRUSA-N 1 2 436.516 2.590 40 0 IFABLO COc1ccc(C[N@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1OC ZINC000019694974 569229430 /nfs/dbraw/zinc/22/94/30/569229430.db2.gz HTOSWJWOHCKTDB-OAQYLSRUSA-N 1 2 436.516 2.590 40 0 IFABLO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCO[C@@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019703193 569232919 /nfs/dbraw/zinc/23/29/19/569232919.db2.gz CPZLJKKMXISKRM-MRXNPFEDSA-N 1 2 443.573 2.613 40 0 IFABLO CC(C)(C)c1n[nH]cc1C[N@H+]1CCO[C@@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019703193 569232920 /nfs/dbraw/zinc/23/29/20/569232920.db2.gz CPZLJKKMXISKRM-MRXNPFEDSA-N 1 2 443.573 2.613 40 0 IFABLO Cc1nn2c(nccc2[C@@H]2CN(C(=O)CCC3CCCC3)CCO2)c1C[NH+]1CCOCC1 ZINC000019707751 569234681 /nfs/dbraw/zinc/23/46/81/569234681.db2.gz VARQJOWOQJZUJM-QFIPXVFZSA-N 1 2 441.576 2.740 40 0 IFABLO Cc1cc(NC(=O)C[N@H+]2CC[C@H](c3nc(C)c4c(n3)N(CCC(C)C)C(=O)CC4)C2)no1 ZINC000019738860 569236164 /nfs/dbraw/zinc/23/61/64/569236164.db2.gz ALHLDNONDDXFKM-KRWDZBQOSA-N 1 2 440.548 2.835 40 0 IFABLO Cc1cc(NC(=O)C[N@@H+]2CC[C@H](c3nc(C)c4c(n3)N(CCC(C)C)C(=O)CC4)C2)no1 ZINC000019738860 569236165 /nfs/dbraw/zinc/23/61/65/569236165.db2.gz ALHLDNONDDXFKM-KRWDZBQOSA-N 1 2 440.548 2.835 40 0 IFABLO CNC(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CC[N@H+](CC(=O)Nc2cc(C)on2)C1 ZINC000019739064 569236417 /nfs/dbraw/zinc/23/64/17/569236417.db2.gz GBFSKQXDJKAJBP-JOCHJYFZSA-N 1 2 429.521 2.638 40 0 IFABLO CNC(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CC[N@@H+](CC(=O)Nc2cc(C)on2)C1 ZINC000019739064 569236419 /nfs/dbraw/zinc/23/64/19/569236419.db2.gz GBFSKQXDJKAJBP-JOCHJYFZSA-N 1 2 429.521 2.638 40 0 IFABLO COCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C(C)C ZINC000030881735 291344492 /nfs/dbraw/zinc/34/44/92/291344492.db2.gz AABLETICTANXER-FKBYEOEOSA-N 1 2 442.604 2.738 40 0 biogenic,in-vitro IFABLO COCCN1C[C@@H](c2cc(N(C)C)nc(C[N@H+](C)Cc3cccc(Cl)c3)n2)CC1=O ZINC000072352057 523883825 /nfs/dbraw/zinc/88/38/25/523883825.db2.gz JCVHBKJMPINRIQ-KRWDZBQOSA-N 1 2 431.968 2.790 40 0 IFABLO COCCN1C[C@@H](c2cc(N(C)C)nc(C[N@@H+](C)Cc3cccc(Cl)c3)n2)CC1=O ZINC000072352057 523883830 /nfs/dbraw/zinc/88/38/30/523883830.db2.gz JCVHBKJMPINRIQ-KRWDZBQOSA-N 1 2 431.968 2.790 40 0 IFABLO NS(=O)(=O)c1ccc(NC(=O)N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000035323152 527317006 /nfs/dbraw/zinc/31/70/06/527317006.db2.gz QYPAKCAUICXIMG-UHFFFAOYSA-N 1 2 442.463 2.703 40 0 IFABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3cccc(Cl)c3)c2)CC1 ZINC000408557462 555895618 /nfs/dbraw/zinc/89/56/18/555895618.db2.gz MXMYPCGBYNWCMB-UHFFFAOYSA-N 1 2 437.949 2.927 40 0 IFABLO Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3cc[nH+]c3)cc2)c1 ZINC000408592810 555954310 /nfs/dbraw/zinc/95/43/10/555954310.db2.gz LVRXADPLEDDELA-UHFFFAOYSA-N 1 2 442.541 2.886 40 0 IFABLO O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCCn1cc[nH+]c1 ZINC000408593760 555959861 /nfs/dbraw/zinc/95/98/61/555959861.db2.gz NHJRDJDYJIHGAS-UHFFFAOYSA-N 1 2 426.542 2.501 40 0 IFABLO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C(=O)NCC(C)C ZINC000408595720 555962574 /nfs/dbraw/zinc/96/25/74/555962574.db2.gz STUBTRNSQIREMH-UHFFFAOYSA-N 1 2 429.586 2.887 40 0 IFABLO COc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2ccc(C)cc2)cc1 ZINC000408601454 555969766 /nfs/dbraw/zinc/96/97/66/555969766.db2.gz AAGGBKYWBKGRAQ-UHFFFAOYSA-N 1 2 442.541 2.602 40 0 IFABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2ccccc2C)cc1 ZINC000408613972 555984338 /nfs/dbraw/zinc/98/43/38/555984338.db2.gz ZJBZCYCMBVFBMQ-UHFFFAOYSA-N 1 2 426.542 2.902 40 0 IFABLO Cc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(C)(=O)=O)c(C)c1 ZINC000408624994 555995269 /nfs/dbraw/zinc/99/52/69/555995269.db2.gz HMNLFKCASMZXPR-JXMROGBWSA-N 1 2 441.597 2.927 40 0 IFABLO CC(=O)N1CCC[C@@](C[C@H]2CC(c3ccccc3C)=NO2)(C(=O)NCc2[nH+]ccn2C)C1 ZINC000012087525 556400552 /nfs/dbraw/zinc/40/05/52/556400552.db2.gz GRBBPKCHVIHZAE-DVECYGJZSA-N 1 2 437.544 2.557 40 0 IFABLO CC(=O)N1CCC[C@@](C[C@@H]2CC(c3ccccc3C)=NO2)(C(=O)NCc2[nH+]ccn2C)C1 ZINC000012087523 556400633 /nfs/dbraw/zinc/40/06/33/556400633.db2.gz GRBBPKCHVIHZAE-CYFREDJKSA-N 1 2 437.544 2.557 40 0 IFABLO CC(=O)N1CCC[C@](C[C@@H]2CC(c3ccccc3C)=NO2)(C(=O)NCc2[nH+]ccn2C)C1 ZINC000012087524 556400663 /nfs/dbraw/zinc/40/06/63/556400663.db2.gz GRBBPKCHVIHZAE-YADARESESA-N 1 2 437.544 2.557 40 0 IFABLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000030858012 556510517 /nfs/dbraw/zinc/51/05/17/556510517.db2.gz AJCRZBXUOVKQKA-UHFFFAOYSA-N 1 2 431.558 2.802 40 0 IFABLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3cc[nH+]c3)cc2)cc1 ZINC000016293352 556598513 /nfs/dbraw/zinc/59/85/13/556598513.db2.gz MAXZXSRPHQPXBZ-UHFFFAOYSA-N 1 2 428.514 2.578 40 0 IFABLO CCN(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000039985970 556632344 /nfs/dbraw/zinc/63/23/44/556632344.db2.gz YREAWPIDOLORBV-JXMROGBWSA-N 1 2 441.597 2.863 40 0 IFABLO CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1OCC ZINC000016740358 556634281 /nfs/dbraw/zinc/63/42/81/556634281.db2.gz FGKOWTRGKLMJCP-UHFFFAOYSA-N 1 2 447.557 2.672 40 0 IFABLO CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)c(Cl)c1 ZINC000044847156 556669707 /nfs/dbraw/zinc/66/97/07/556669707.db2.gz DXUMTEUJWOPGDX-UHFFFAOYSA-N 1 2 436.896 2.747 40 0 IFABLO O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(N3CCCCC3)[nH+]c(N3CCCCC3)n2)C1 ZINC000000795421 556695097 /nfs/dbraw/zinc/69/50/97/556695097.db2.gz YYBWDBNHQVNJJY-MOPGFXCFSA-N 1 2 435.576 2.638 40 0 IFABLO O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(N3CCCCC3)nc(N3CCCCC3)[nH+]2)C1 ZINC000000795421 556695101 /nfs/dbraw/zinc/69/51/01/556695101.db2.gz YYBWDBNHQVNJJY-MOPGFXCFSA-N 1 2 435.576 2.638 40 0 IFABLO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](O)c3c(C)[nH]c4cc(C)ccc43)CC2)cc1 ZINC000019219625 556714094 /nfs/dbraw/zinc/71/40/94/556714094.db2.gz SIJVYBGPTRNJKN-JOCHJYFZSA-N 1 2 443.569 2.833 40 0 IFABLO CCC(CC)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H]5CCCO5)CC4)[nH]n3c(=O)c2C1 ZINC000019500289 556772435 /nfs/dbraw/zinc/77/24/35/556772435.db2.gz NANLFMZODHDAPE-NRFANRHFSA-N 1 2 441.576 2.867 40 0 IFABLO CCC(CC)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H]5CCCO5)CC4)[nH]n3c(=O)c2C1 ZINC000019500289 556772438 /nfs/dbraw/zinc/77/24/38/556772438.db2.gz NANLFMZODHDAPE-NRFANRHFSA-N 1 2 441.576 2.867 40 0 IFABLO CCc1cc(C(=O)N2CCC(c3cc4nc5c(c(=O)n4[nH]3)C[N@@H+](C(C)C)CC5)CC2)on1 ZINC000019522717 556780157 /nfs/dbraw/zinc/78/01/57/556780157.db2.gz TWTSRPPSEWCBRT-UHFFFAOYSA-N 1 2 438.532 2.772 40 0 IFABLO CCc1cc(C(=O)N2CCC(c3cc4nc5c(c(=O)n4[nH]3)C[N@H+](C(C)C)CC5)CC2)on1 ZINC000019522717 556780158 /nfs/dbraw/zinc/78/01/58/556780158.db2.gz TWTSRPPSEWCBRT-UHFFFAOYSA-N 1 2 438.532 2.772 40 0 IFABLO CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@H+](C)CC2=CCCOC2)n1 ZINC000019700932 556860328 /nfs/dbraw/zinc/86/03/28/556860328.db2.gz KRLMTTVHOGEUED-KRWDZBQOSA-N 1 2 425.508 2.956 40 0 IFABLO CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@@H+](C)CC2=CCCOC2)n1 ZINC000019700932 556860330 /nfs/dbraw/zinc/86/03/30/556860330.db2.gz KRLMTTVHOGEUED-KRWDZBQOSA-N 1 2 425.508 2.956 40 0 IFABLO [NH3+]c1ccc(N2CCN(C(=O)c3cccc(Br)c3)CC2)c(-n2cnnc2)c1 ZINC000070461835 556875642 /nfs/dbraw/zinc/87/56/42/556875642.db2.gz REHUTNIVKDRSDN-UHFFFAOYSA-N 1 2 427.306 2.574 40 0 IFABLO COc1ccc2nc(C[N@@H+]3CCc4c(nc(N5C[C@@H](C)O[C@@H](C)C5)[nH]c4=O)C3)ccc2c1 ZINC000072335594 556908418 /nfs/dbraw/zinc/90/84/18/556908418.db2.gz MNYOAYLEVBYXGA-IYBDPMFKSA-N 1 2 435.528 2.911 40 0 IFABLO COc1ccc2nc(C[N@H+]3CCc4c(nc(N5C[C@@H](C)O[C@@H](C)C5)[nH]c4=O)C3)ccc2c1 ZINC000072335594 556908419 /nfs/dbraw/zinc/90/84/19/556908419.db2.gz MNYOAYLEVBYXGA-IYBDPMFKSA-N 1 2 435.528 2.911 40 0 IFABLO Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)C[NH+]3C[C@@H](C)O[C@H](C)C3)CC1)N2 ZINC000072337895 556910893 /nfs/dbraw/zinc/91/08/93/556910893.db2.gz NAKWIZULVAHWKL-XYVMCAHJSA-N 1 2 443.514 2.827 40 0 IFABLO CNc1nc(C2CCN(C(=O)CCN(C)c3cccc(F)c3)CC2)nc2c1C[N@H+](C)CC2 ZINC000072372282 556941992 /nfs/dbraw/zinc/94/19/92/556941992.db2.gz HJYGVAIQAVCRDX-UHFFFAOYSA-N 1 2 440.567 2.878 40 0 IFABLO CNc1nc(C2CCN(C(=O)CCN(C)c3cccc(F)c3)CC2)nc2c1C[N@@H+](C)CC2 ZINC000072372282 556941995 /nfs/dbraw/zinc/94/19/95/556941995.db2.gz HJYGVAIQAVCRDX-UHFFFAOYSA-N 1 2 440.567 2.878 40 0 IFABLO CCOc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCN4C(C)=O)nc(NC)c3C2)cc1CO ZINC000072372403 556942534 /nfs/dbraw/zinc/94/25/34/556942534.db2.gz GEHHNYQEDFGXFE-OAQYLSRUSA-N 1 2 439.560 2.651 40 0 IFABLO CCOc1ccc(C[N@H+]2CCc3nc([C@H]4CCCN4C(C)=O)nc(NC)c3C2)cc1CO ZINC000072372403 556942535 /nfs/dbraw/zinc/94/25/35/556942535.db2.gz GEHHNYQEDFGXFE-OAQYLSRUSA-N 1 2 439.560 2.651 40 0 IFABLO C[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000020045623 556973105 /nfs/dbraw/zinc/97/31/05/556973105.db2.gz QOMNYUKEJUMBEM-OAHLLOKOSA-N 1 2 432.933 2.997 40 0 IFABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006148968 557146308 /nfs/dbraw/zinc/14/63/08/557146308.db2.gz OZECXOVGFVIECL-WIYYLYMNSA-N 1 2 438.532 2.524 40 0 IFABLO CC(C)C(=O)N1CCc2nc3cc(C4CC[NH+](CC5=CCCOC5)CC4)[nH]n3c(=O)c2C1 ZINC000100232600 557250163 /nfs/dbraw/zinc/25/01/63/557250163.db2.gz MBQOAPGSCALBOM-UHFFFAOYSA-N 1 2 439.560 2.502 40 0 IFABLO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Br)cc1 ZINC000022931237 557274694 /nfs/dbraw/zinc/27/46/94/557274694.db2.gz RTYBXKQSEQQNBW-UHFFFAOYSA-N 1 2 432.318 2.934 40 0 IFABLO O=C(NCCCn1cc[nH+]c1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000013119445 557296448 /nfs/dbraw/zinc/29/64/48/557296448.db2.gz MWVOVGRUZRZOAL-AWEZNQCLSA-N 1 2 445.372 2.797 40 0 IFABLO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1NC(=O)c1ccccc1C ZINC000013566295 557344195 /nfs/dbraw/zinc/34/41/95/557344195.db2.gz SIFNVRDEUREUGK-UHFFFAOYSA-N 1 2 428.514 2.821 40 0 IFABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222772097 557385045 /nfs/dbraw/zinc/38/50/45/557385045.db2.gz RJBVQXVCSZEFEC-IBGZPJMESA-N 1 2 443.975 2.748 40 0 IFABLO O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000115081311 557433851 /nfs/dbraw/zinc/43/38/51/557433851.db2.gz PCEDLMQXPSUOQU-UHFFFAOYSA-N 1 2 446.960 2.934 40 0 IFABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1CC[NH+]1CCOCC1 ZINC000223127128 557435512 /nfs/dbraw/zinc/43/55/12/557435512.db2.gz GDIBRPJGEYRSPR-VXKWHMMOSA-N 1 2 434.569 2.572 40 0 IFABLO Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)nc1 ZINC000223129764 557436226 /nfs/dbraw/zinc/43/62/26/557436226.db2.gz UWBMUORHGXIMDY-DHIUTWEWSA-N 1 2 448.596 2.880 40 0 IFABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1CC[NH+]1CCOCC1 ZINC000223133493 557436643 /nfs/dbraw/zinc/43/66/43/557436643.db2.gz PEXWSBABAYVLJL-DHIUTWEWSA-N 1 2 448.596 2.631 40 0 IFABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1CCC[NH+]1CCOCC1 ZINC000223169679 557441040 /nfs/dbraw/zinc/44/10/40/557441040.db2.gz PYKSQRXWLFKGSS-DHIUTWEWSA-N 1 2 448.596 2.962 40 0 IFABLO COC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000004400801 562943245 /nfs/dbraw/zinc/94/32/45/562943245.db2.gz BIMSTZCCZSBBOL-UHFFFAOYSA-N 1 2 438.480 2.778 40 0 IFABLO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000260888576 568626940 /nfs/dbraw/zinc/62/69/40/568626940.db2.gz BQLHNORUVGIFPW-FQEVSTJZSA-N 1 2 438.553 2.898 40 0 IFABLO Cn1c2ccc(NC(=O)C[N@@H+]3C[C@H](OCc4ccccc4)[C@]4(CCCO4)C3)cc2oc1=O ZINC000257223326 568675753 /nfs/dbraw/zinc/67/57/53/568675753.db2.gz DWWBVQWFSVIQGQ-URXFXBBRSA-N 1 2 437.496 2.520 40 0 IFABLO Cn1c2ccc(NC(=O)C[N@H+]3C[C@H](OCc4ccccc4)[C@]4(CCCO4)C3)cc2oc1=O ZINC000257223326 568675756 /nfs/dbraw/zinc/67/57/56/568675756.db2.gz DWWBVQWFSVIQGQ-URXFXBBRSA-N 1 2 437.496 2.520 40 0 IFABLO Cn1c2ccc(C[N@@H+]3CCO[C@H](c4ccc(Nc5ccccn5)cn4)C3)cc2n(C)c1=O ZINC000257226448 568677278 /nfs/dbraw/zinc/67/72/78/568677278.db2.gz FKQINSKUBVQJFO-QFIPXVFZSA-N 1 2 430.512 2.984 40 0 IFABLO Cn1c2ccc(C[N@H+]3CCO[C@H](c4ccc(Nc5ccccn5)cn4)C3)cc2n(C)c1=O ZINC000257226448 568677282 /nfs/dbraw/zinc/67/72/82/568677282.db2.gz FKQINSKUBVQJFO-QFIPXVFZSA-N 1 2 430.512 2.984 40 0 IFABLO CCn1c(=O)oc2cc(NC(=O)C[N@@H+]3CC[C@H](Oc4cccc(F)c4)[C@@](C)(O)C3)ccc21 ZINC000257273467 568699196 /nfs/dbraw/zinc/69/91/96/568699196.db2.gz NGRZLJHHNCWCPY-REWPJTCUSA-N 1 2 443.475 2.596 40 0 IFABLO CCn1c(=O)oc2cc(NC(=O)C[N@H+]3CC[C@H](Oc4cccc(F)c4)[C@@](C)(O)C3)ccc21 ZINC000257273467 568699198 /nfs/dbraw/zinc/69/91/98/568699198.db2.gz NGRZLJHHNCWCPY-REWPJTCUSA-N 1 2 443.475 2.596 40 0 IFABLO COc1cc2c(cc1C[N@@H+]1CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C1)OCO2 ZINC000257286801 568705384 /nfs/dbraw/zinc/70/53/84/568705384.db2.gz PNBWAXITZXFJQB-QFIPXVFZSA-N 1 2 448.903 2.603 40 0 IFABLO COc1cc2c(cc1C[N@H+]1CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C1)OCO2 ZINC000257286801 568705385 /nfs/dbraw/zinc/70/53/85/568705385.db2.gz PNBWAXITZXFJQB-QFIPXVFZSA-N 1 2 448.903 2.603 40 0 IFABLO Cc1c(F)cccc1NC(=O)C[NH+]1CCC2(CC1)CCC(C)(C)N(S(C)(=O)=O)C2 ZINC000257289795 568706549 /nfs/dbraw/zinc/70/65/49/568706549.db2.gz QAEZRAJLAVGBEJ-UHFFFAOYSA-N 1 2 425.570 2.989 40 0 IFABLO COc1ccccc1[C@H]1CN(C(=O)c2cccc(OCC[NH+]3CCOCC3)c2)CCN1C ZINC000257303347 568712718 /nfs/dbraw/zinc/71/27/18/568712718.db2.gz SGVJQDAYYQFOGD-HSZRJFAPSA-N 1 2 439.556 2.535 40 0 IFABLO Cc1nonc1COc1ccccc1C(=O)N1CCOC[C@@H](Cc2ccc3[nH+]ccn3c2)C1 ZINC000257316845 568718587 /nfs/dbraw/zinc/71/85/87/568718587.db2.gz VHGRWJUSGGIVJU-IBGZPJMESA-N 1 2 447.495 2.936 40 0 IFABLO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ncc(Cc3ccccc3)s2)C1 ZINC000257323149 568721331 /nfs/dbraw/zinc/72/13/31/568721331.db2.gz WIYFMNAFQLYDTK-HSZRJFAPSA-N 1 2 435.553 2.587 40 0 IFABLO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3)s2)C1 ZINC000257323149 568721334 /nfs/dbraw/zinc/72/13/34/568721334.db2.gz WIYFMNAFQLYDTK-HSZRJFAPSA-N 1 2 435.553 2.587 40 0 IFABLO CC(C)(NC(=O)CCc1ccccc1)C(=O)N1CCOC[C@H](Cc2ccc3[nH+]ccn3c2)C1 ZINC000257325019 568722325 /nfs/dbraw/zinc/72/23/25/568722325.db2.gz WRCPBWPAMVBQGM-JOCHJYFZSA-N 1 2 448.567 2.879 40 0 IFABLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)ccc1OCC(N)=O ZINC000257327640 568723466 /nfs/dbraw/zinc/72/34/66/568723466.db2.gz XCDWIABZIIBIEG-JOCHJYFZSA-N 1 2 449.511 2.666 40 0 IFABLO COc1cc(C[N@H+]2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)ccc1OCC(N)=O ZINC000257327640 568723467 /nfs/dbraw/zinc/72/34/67/568723467.db2.gz XCDWIABZIIBIEG-JOCHJYFZSA-N 1 2 449.511 2.666 40 0 IFABLO COc1cccc(OCCc2cc([C@@H]3C[N@H+](Cc4cn(C)nc4C)CCO3)nn2C)c1 ZINC000257333449 568725632 /nfs/dbraw/zinc/72/56/32/568725632.db2.gz YBPCOMDKPLFZKL-QHCPKHFHSA-N 1 2 425.533 2.666 40 0 IFABLO COc1cccc(OCCc2cc([C@@H]3C[N@@H+](Cc4cn(C)nc4C)CCO3)nn2C)c1 ZINC000257333449 568725635 /nfs/dbraw/zinc/72/56/35/568725635.db2.gz YBPCOMDKPLFZKL-QHCPKHFHSA-N 1 2 425.533 2.666 40 0 IFABLO CN(C)S(=O)(=O)N1CC[C@@H](c2n[nH]cc2-c2cc[nH+]c(NCc3ccccc3F)c2)C1 ZINC000257338520 568728068 /nfs/dbraw/zinc/72/80/68/568728068.db2.gz YXUMHHBGEGRLHC-QGZVFWFLSA-N 1 2 444.536 2.819 40 0 IFABLO Cc1ccccc1CNc1cc(-c2c[nH]nc2[C@@H]2CCN(S(=O)(=O)N(C)C)C2)cc[nH+]1 ZINC000257344969 568730857 /nfs/dbraw/zinc/73/08/57/568730857.db2.gz ZZKLBRLMPJKWJY-LJQANCHMSA-N 1 2 440.573 2.988 40 0 IFABLO COc1ccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c(OC)c1 ZINC000261361973 568733239 /nfs/dbraw/zinc/73/32/39/568733239.db2.gz BNESWXRFWHUGOC-HXUWFJFHSA-O 1 2 425.490 2.789 40 0 IFABLO O=C(Cc1ccccc1)N[C@@H]1CCS(=O)(=O)[C@H]2C[N@H+](Cc3ccc(Cl)s3)C[C@H]21 ZINC000306125253 568763671 /nfs/dbraw/zinc/76/36/71/568763671.db2.gz CKQLWWCUWNDPJQ-KSZLIROESA-N 1 2 439.002 2.748 40 0 IFABLO O=C(Cc1ccccc1)N[C@@H]1CCS(=O)(=O)[C@H]2C[N@@H+](Cc3ccc(Cl)s3)C[C@H]21 ZINC000306125253 568763674 /nfs/dbraw/zinc/76/36/74/568763674.db2.gz CKQLWWCUWNDPJQ-KSZLIROESA-N 1 2 439.002 2.748 40 0 IFABLO CN(C)C(=O)N1CCC[C@@H]1c1nc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccn21 ZINC000306136935 568769627 /nfs/dbraw/zinc/76/96/27/568769627.db2.gz QHAKYCIDQNPNQI-LJQANCHMSA-N 1 2 447.543 2.510 40 0 IFABLO COc1ccc(C[N@@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1OC ZINC000019694975 569229399 /nfs/dbraw/zinc/22/93/99/569229399.db2.gz HTOSWJWOHCKTDB-NRFANRHFSA-N 1 2 436.516 2.590 40 0 IFABLO COc1ccc(C[N@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1OC ZINC000019694975 569229401 /nfs/dbraw/zinc/22/94/01/569229401.db2.gz HTOSWJWOHCKTDB-NRFANRHFSA-N 1 2 436.516 2.590 40 0 IFABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019703264 569233012 /nfs/dbraw/zinc/23/30/12/569233012.db2.gz NUBPTTWQLHLYFD-LJQANCHMSA-N 1 2 441.553 2.909 40 0 IFABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019703264 569233013 /nfs/dbraw/zinc/23/30/13/569233013.db2.gz NUBPTTWQLHLYFD-LJQANCHMSA-N 1 2 441.553 2.909 40 0 IFABLO COc1cccc(C(=O)N2CC[C@@H](c3ccnc4c(C[NH+]5CCOCC5)c(C)nn43)C2)c1 ZINC000019707919 569234535 /nfs/dbraw/zinc/23/45/35/569234535.db2.gz KGESCDLTRFURAZ-LJQANCHMSA-N 1 2 435.528 2.508 40 0 IFABLO Cc1nc([C@H]2CCN(C(=O)CCn3cc[nH+]c3-c3ccccc3)C2)nc2c1CCC(=O)N2C ZINC000019738788 569236032 /nfs/dbraw/zinc/23/60/32/569236032.db2.gz CZIAXYMFRAGNBG-IBGZPJMESA-N 1 2 444.539 2.964 40 0 IFABLO Cc1nc([C@H]2CC[N@H+](CC(=O)n3cccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019738993 569236290 /nfs/dbraw/zinc/23/62/90/569236290.db2.gz SKKHMDDHNGURSM-IBGZPJMESA-N 1 2 430.512 2.591 40 0 IFABLO Cc1nc([C@H]2CC[N@@H+](CC(=O)n3cccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019738993 569236291 /nfs/dbraw/zinc/23/62/91/569236291.db2.gz SKKHMDDHNGURSM-IBGZPJMESA-N 1 2 430.512 2.591 40 0 IFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(c2ccc(C(=O)N3CCCC3)c(N)n2)CC1 ZINC000019765969 569239074 /nfs/dbraw/zinc/23/90/74/569239074.db2.gz CWFCPMZBASCEFC-UHFFFAOYSA-N 1 2 446.555 2.964 40 0 IFABLO COc1cccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1OC ZINC000261364649 569315725 /nfs/dbraw/zinc/31/57/25/569315725.db2.gz MRLZKMBMQRJCBD-HXUWFJFHSA-O 1 2 425.490 2.789 40 0 IFABLO CCc1nc(NC(=O)C[NH+]2CCC(c3ncc(C(=O)N(C)C)c(C)n3)CC2)sc1C ZINC000019766466 569584852 /nfs/dbraw/zinc/58/48/52/569584852.db2.gz QAGPSIUQMOJZLI-UHFFFAOYSA-N 1 2 430.578 2.632 40 0 IFABLO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccccn4)n3)ccn2)CC1 ZINC000049154991 291339984 /nfs/dbraw/zinc/33/99/84/291339984.db2.gz GLIAAFUVGBQFTH-FQEVSTJZSA-N 1 2 433.516 2.532 40 0 biogenic,in-vitro IFABLO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccccn4)n3)ccn2)CC1 ZINC000049154991 291339988 /nfs/dbraw/zinc/33/99/88/291339988.db2.gz GLIAAFUVGBQFTH-FQEVSTJZSA-N 1 2 433.516 2.532 40 0 biogenic,in-vitro IFABLO C[NH+](C)Cc1cn([C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccc(C(C)(C)C)cc4)CO[C@H]23)nn1 ZINC000004260837 291343103 /nfs/dbraw/zinc/34/31/03/291343103.db2.gz KIZHCLZLGZZTRL-MTQWCTHYSA-N 1 2 429.521 2.593 40 0 biogenic,in-vitro IFABLO COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)OCC[NH+]1CCOCC1)COC2=O ZINC000022063324 521883399 /nfs/dbraw/zinc/88/33/99/521883399.db2.gz KOEZVGVALFAIMS-FZSIALSZSA-N 1 2 447.528 2.827 40 0 in-vitro IFABLO COCc1nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[nH]c(=O)c1Cc1ccccc1 ZINC000022448558 523211744 /nfs/dbraw/zinc/21/17/44/523211744.db2.gz YQYTZAQGRKEYGO-UHFFFAOYSA-N 1 2 448.523 2.558 40 0 IFABLO Cc1ccc(N(CC(=O)NCCCn2cc[nH+]c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408609526 555979750 /nfs/dbraw/zinc/97/97/50/555979750.db2.gz OYANIJKGAHYNFX-UHFFFAOYSA-N 1 2 426.542 2.902 40 0 IFABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2cccc(C)c2)cc1 ZINC000408616382 555987387 /nfs/dbraw/zinc/98/73/87/555987387.db2.gz YHXSPZFSWUUNAU-UHFFFAOYSA-N 1 2 426.542 2.902 40 0 IFABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)Cc2ccccc2)cc1 ZINC000408623312 555991943 /nfs/dbraw/zinc/99/19/43/555991943.db2.gz SHAJSDBCGNQHPQ-UHFFFAOYSA-N 1 2 426.542 2.589 40 0 IFABLO O=C(NCC[NH+]1CCOCC1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000408626948 555997699 /nfs/dbraw/zinc/99/76/99/555997699.db2.gz YNBGEAIGGDXJTO-DEOSSOPVSA-N 1 2 439.581 2.565 40 0 IFABLO COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000006148951 556078174 /nfs/dbraw/zinc/07/81/74/556078174.db2.gz BJZOKVJGTYDAHH-RXVVDRJESA-N 1 2 438.532 2.524 40 0 IFABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1NC(=O)CC ZINC000408698527 556101442 /nfs/dbraw/zinc/10/14/42/556101442.db2.gz QPYQEPWSMMWXKZ-UHFFFAOYSA-N 1 2 431.558 2.940 40 0 IFABLO Cc1ccc(C)c(N([C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)c1 ZINC000030847208 556507441 /nfs/dbraw/zinc/50/74/41/556507441.db2.gz GXKPYDBMNJPCOI-GOSISDBHSA-N 1 2 426.542 2.960 40 0 IFABLO CCOc1ccc(N([C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)cc1 ZINC000030853919 556509675 /nfs/dbraw/zinc/50/96/75/556509675.db2.gz BGHPFHBSPVKUOR-QGZVFWFLSA-N 1 2 442.541 2.742 40 0 IFABLO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C[NH+]3C[C@@H](C)O[C@H](C)C3)CC1)N2 ZINC000019128678 556703814 /nfs/dbraw/zinc/70/38/14/556703814.db2.gz LKHLAJQRVURXDO-XYVMCAHJSA-N 1 2 425.524 2.530 40 0 IFABLO CCn1cc([C@@H](O)C[NH+]2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c2ccccc21 ZINC000019524773 556782204 /nfs/dbraw/zinc/78/22/04/556782204.db2.gz ZMHZMNZFSVWEQE-QHCPKHFHSA-N 1 2 443.569 2.710 40 0 IFABLO CCOc1ncc(C2(O)CC[NH+](Cc3coc4ccccc4c3=O)CC2)c(OCC)n1 ZINC000019531769 556792385 /nfs/dbraw/zinc/79/23/85/556792385.db2.gz ZLTIKGOYXUTJDI-UHFFFAOYSA-N 1 2 425.485 2.864 40 0 IFABLO COc1ccc(C[N@@H+](Cc2cnc(N3CCOCC3)nc2)C[C@@H]2CCCO2)c(OC)c1 ZINC000019552168 556795972 /nfs/dbraw/zinc/79/59/72/556795972.db2.gz XZIGONKQGPTGAK-NRFANRHFSA-N 1 2 428.533 2.512 40 0 IFABLO COc1ccc(C[N@H+](Cc2cnc(N3CCOCC3)nc2)C[C@@H]2CCCO2)c(OC)c1 ZINC000019552168 556795974 /nfs/dbraw/zinc/79/59/74/556795974.db2.gz XZIGONKQGPTGAK-NRFANRHFSA-N 1 2 428.533 2.512 40 0 IFABLO COc1ccc(C[N@@H+](Cc2ccnc(N3CCOCC3)n2)C[C@@H]2CCCO2)c(OC)c1 ZINC000019552160 556796001 /nfs/dbraw/zinc/79/60/01/556796001.db2.gz IRRPSIAGBNSVPY-NRFANRHFSA-N 1 2 428.533 2.512 40 0 IFABLO COc1ccc(C[N@H+](Cc2ccnc(N3CCOCC3)n2)C[C@@H]2CCCO2)c(OC)c1 ZINC000019552160 556796002 /nfs/dbraw/zinc/79/60/02/556796002.db2.gz IRRPSIAGBNSVPY-NRFANRHFSA-N 1 2 428.533 2.512 40 0 IFABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)c5ccccn5)C4)nc3C2)cc1 ZINC000019555648 556798674 /nfs/dbraw/zinc/79/86/74/556798674.db2.gz KGQFEEYUUZMBLD-SFHVURJKSA-N 1 2 445.523 2.774 40 0 IFABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)c5ccccn5)C4)nc3C2)cc1 ZINC000019555648 556798677 /nfs/dbraw/zinc/79/86/77/556798677.db2.gz KGQFEEYUUZMBLD-SFHVURJKSA-N 1 2 445.523 2.774 40 0 IFABLO COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCCC3)c(=O)[nH]c2c1 ZINC000006282920 556831275 /nfs/dbraw/zinc/83/12/75/556831275.db2.gz GJAZGBSYZQTJIS-WIYYLYMNSA-N 1 2 438.532 2.668 40 0 IFABLO O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(N3CCCCC3)[nH+]c(N3CCCCC3)n2)C1 ZINC000008964410 556851798 /nfs/dbraw/zinc/85/17/98/556851798.db2.gz YYBWDBNHQVNJJY-RBUKOAKNSA-N 1 2 435.576 2.638 40 0 IFABLO O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(N3CCCCC3)nc(N3CCCCC3)[nH+]2)C1 ZINC000008964410 556851801 /nfs/dbraw/zinc/85/18/01/556851801.db2.gz YYBWDBNHQVNJJY-RBUKOAKNSA-N 1 2 435.576 2.638 40 0 IFABLO Cc1nonc1NC(=O)C[NH+]1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019698386 556856495 /nfs/dbraw/zinc/85/64/95/556856495.db2.gz RTZMBBMWTZDSLV-HXUWFJFHSA-N 1 2 441.507 2.773 40 0 IFABLO C[NH+]1CCN(C(=O)c2ccc([C@@H]3CCCN(C(=O)CCc4ccc(F)cc4)C3)nc2)CC1 ZINC000019705925 556863549 /nfs/dbraw/zinc/86/35/49/556863549.db2.gz XMLJHYPAESQIBP-OAQYLSRUSA-N 1 2 438.547 2.947 40 0 IFABLO CC(=O)N1CCC(c2nc3c(c(N(C)CCOc4ccccc4F)n2)C[N@H+](C)CC3)CC1 ZINC000019710447 556873089 /nfs/dbraw/zinc/87/30/89/556873089.db2.gz LMDIHQPQUJGVKR-UHFFFAOYSA-N 1 2 441.551 2.845 40 0 IFABLO CC(=O)N1CCC(c2nc3c(c(N(C)CCOc4ccccc4F)n2)C[N@@H+](C)CC3)CC1 ZINC000019710447 556873092 /nfs/dbraw/zinc/87/30/92/556873092.db2.gz LMDIHQPQUJGVKR-UHFFFAOYSA-N 1 2 441.551 2.845 40 0 IFABLO COc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)cc1O ZINC000072340555 556912330 /nfs/dbraw/zinc/91/23/30/556912330.db2.gz LQZALSCMHFZPHP-JOCHJYFZSA-N 1 2 426.492 2.677 40 0 IFABLO CCN(c1ccc(OCC(=O)NCCCn2cc[nH+]c2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937947 556952018 /nfs/dbraw/zinc/95/20/18/556952018.db2.gz PQDIVWZUQYSRKV-UHFFFAOYSA-N 1 2 442.541 2.684 40 0 IFABLO COc1ccc([C@@H]2NC3=[NH+]CN(C[C@@H]4CCCO4)CN3c3nc4ccccc4n32)c(OC)c1 ZINC000019960394 556955350 /nfs/dbraw/zinc/95/53/50/556955350.db2.gz MLCZYSQSTFIVEQ-HTAPYJJXSA-N 1 2 448.527 2.776 40 0 IFABLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000216493591 557147833 /nfs/dbraw/zinc/14/78/33/557147833.db2.gz BAQNXYCYLBESRC-UHFFFAOYSA-N 1 2 438.553 2.731 40 0 IFABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCC3)cc2c1 ZINC000006196974 557149379 /nfs/dbraw/zinc/14/93/79/557149379.db2.gz LCJVLPGOFNLIJO-GHTZIAJQSA-N 1 2 438.532 2.668 40 0 IFABLO COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000006283170 557150417 /nfs/dbraw/zinc/15/04/17/557150417.db2.gz SUAOACBKXJPNLK-YWMUFLPLSA-N 1 2 438.532 2.524 40 0 IFABLO COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000006283170 557150420 /nfs/dbraw/zinc/15/04/20/557150420.db2.gz SUAOACBKXJPNLK-YWMUFLPLSA-N 1 2 438.532 2.524 40 0 IFABLO Cc1ccc(NC(=O)c2ccc3nnc([C@@H]4C[N@@H+](Cc5ccccn5)CCN4C)n3c2)cn1 ZINC000096156670 557181515 /nfs/dbraw/zinc/18/15/15/557181515.db2.gz LRTWNPDCPLIRGX-NRFANRHFSA-N 1 2 442.527 2.569 40 0 IFABLO Cc1ccc(NC(=O)c2ccc3nnc([C@@H]4C[N@H+](Cc5ccccn5)CCN4C)n3c2)cn1 ZINC000096156670 557181519 /nfs/dbraw/zinc/18/15/19/557181519.db2.gz LRTWNPDCPLIRGX-NRFANRHFSA-N 1 2 442.527 2.569 40 0 IFABLO Cc1ccc(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4cccc[nH+]4)C[C@@H]3C2)cc1 ZINC000096251480 557188981 /nfs/dbraw/zinc/18/89/81/557188981.db2.gz WNHDYZDKJIEQAI-NVQXNPDNSA-N 1 2 448.567 2.608 40 0 IFABLO COc1cccc(CCNC(=O)[C@H]2c3c([nH+]cn3C(C)C)CCN2C(=O)c2cccnc2)c1 ZINC000096265075 557192113 /nfs/dbraw/zinc/19/21/13/557192113.db2.gz DDUOZYTVNLPPIO-HSZRJFAPSA-N 1 2 447.539 2.966 40 0 IFABLO Cc1cc(NC(=O)c2ccc3nnc([C@H]4C[N@@H+](Cc5ccccn5)CCN4C)n3c2)ccn1 ZINC000096268025 557193659 /nfs/dbraw/zinc/19/36/59/557193659.db2.gz VZFYGAPLZUXPIV-OAQYLSRUSA-N 1 2 442.527 2.569 40 0 IFABLO Cc1cc(NC(=O)c2ccc3nnc([C@H]4C[N@H+](Cc5ccccn5)CCN4C)n3c2)ccn1 ZINC000096268025 557193662 /nfs/dbraw/zinc/19/36/62/557193662.db2.gz VZFYGAPLZUXPIV-OAQYLSRUSA-N 1 2 442.527 2.569 40 0 IFABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4cccc(F)c4)CCOCC3)CC[N@@H+]2C)c1 ZINC000585261929 557198074 /nfs/dbraw/zinc/19/80/74/557198074.db2.gz WBGJNSKMUSSHPG-QFIPXVFZSA-N 1 2 439.531 2.749 40 0 IFABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4cccc(F)c4)CCOCC3)CC[N@H+]2C)c1 ZINC000585261929 557198077 /nfs/dbraw/zinc/19/80/77/557198077.db2.gz WBGJNSKMUSSHPG-QFIPXVFZSA-N 1 2 439.531 2.749 40 0 IFABLO O=C(C[C@@]1(COc2ccc(F)cc2)C[N@H+](Cc2ccccc2F)CCO1)N1CCOCC1 ZINC000585273442 557215849 /nfs/dbraw/zinc/21/58/49/557215849.db2.gz OJALWRFGFVKVIP-DEOSSOPVSA-N 1 2 446.494 2.864 40 0 IFABLO O=C(C[C@@]1(COc2ccc(F)cc2)C[N@@H+](Cc2ccccc2F)CCO1)N1CCOCC1 ZINC000585273442 557215852 /nfs/dbraw/zinc/21/58/52/557215852.db2.gz OJALWRFGFVKVIP-DEOSSOPVSA-N 1 2 446.494 2.864 40 0 IFABLO COc1ccc(-c2noc(CNC(=O)c3cccc(C[NH+]4CCOCC4)c3)n2)c(OC)c1 ZINC000219248400 557232862 /nfs/dbraw/zinc/23/28/62/557232862.db2.gz ZJQVAZUTVGICAH-UHFFFAOYSA-N 1 2 438.484 2.516 40 0 IFABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(O)CC3)cc2c1 ZINC000057589455 557249827 /nfs/dbraw/zinc/24/98/27/557249827.db2.gz MCBUYXCINDYNKF-QFIPXVFZSA-N 1 2 448.502 2.557 40 0 IFABLO COCC(=O)N1CCc2c(nc3cc(C4CC[NH+](CC5CCCCC5)CC4)[nH]n3c2=O)C1 ZINC000100232732 557249991 /nfs/dbraw/zinc/24/99/91/557249991.db2.gz XAPGWGMHFJCZKC-UHFFFAOYSA-N 1 2 441.576 2.726 40 0 IFABLO CC(C)C(=O)N1CCc2nc3cc(C4CC[NH+](Cc5ccncc5)CC4)[nH]n3c(=O)c2C1 ZINC000100232624 557250149 /nfs/dbraw/zinc/25/01/49/557250149.db2.gz YWIYTKSMIBHOPP-UHFFFAOYSA-N 1 2 434.544 2.750 40 0 IFABLO O=C(C1CCC1)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](Cc2ccncc2)CC4)C1 ZINC000100233676 557250529 /nfs/dbraw/zinc/25/05/29/557250529.db2.gz NYXKCPZSJKZSBH-IBGZPJMESA-N 1 2 446.555 2.894 40 0 IFABLO O=C(C1CCC1)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](Cc2ccncc2)CC4)C1 ZINC000100233676 557250533 /nfs/dbraw/zinc/25/05/33/557250533.db2.gz NYXKCPZSJKZSBH-IBGZPJMESA-N 1 2 446.555 2.894 40 0 IFABLO COc1ccc(Cn2nnnc2[C@H](c2ccccc2Cl)[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000057671111 557256987 /nfs/dbraw/zinc/25/69/87/557256987.db2.gz QXYNGIZQMWQOJY-FQEVSTJZSA-N 1 2 440.935 2.670 40 0 IFABLO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCc4ccccc43)c2)CC1 ZINC000220010459 557277130 /nfs/dbraw/zinc/27/71/30/557277130.db2.gz LYLYSSXPZMLZBP-UHFFFAOYSA-N 1 2 433.961 2.869 40 0 IFABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013496001 557326175 /nfs/dbraw/zinc/32/61/75/557326175.db2.gz IMVJFZBYGJDZNJ-OAQYLSRUSA-N 1 2 436.516 2.800 40 0 IFABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013496001 557326177 /nfs/dbraw/zinc/32/61/77/557326177.db2.gz IMVJFZBYGJDZNJ-OAQYLSRUSA-N 1 2 436.516 2.800 40 0 IFABLO CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223056987 557422692 /nfs/dbraw/zinc/42/26/92/557422692.db2.gz WGMDKGFYLXBPST-XMMPIXPASA-N 1 2 437.584 2.875 40 0 IFABLO CC(C)C(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223061601 557423773 /nfs/dbraw/zinc/42/37/73/557423773.db2.gz VFAFQQQWAQFEGG-DEOSSOPVSA-N 1 2 437.584 2.731 40 0 IFABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1CC[NH+]1CCOCC1 ZINC000223127027 557435503 /nfs/dbraw/zinc/43/55/03/557435503.db2.gz GDIBRPJGEYRSPR-FCHUYYIVSA-N 1 2 434.569 2.572 40 0 IFABLO Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)n1-c1cccnc1 ZINC000223134002 557436929 /nfs/dbraw/zinc/43/69/29/557436929.db2.gz AOSVNYYXTIDCSH-PKTZIBPZSA-N 1 2 448.596 2.880 40 0 IFABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1CC[NH+]1CCOCC1 ZINC000223134940 557437156 /nfs/dbraw/zinc/43/71/56/557437156.db2.gz BNXQEPHNXVNXRU-YADHBBJMSA-N 1 2 437.569 2.829 40 0 IFABLO C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1)c1ccc2c(c1)CCC2 ZINC000223232447 557449030 /nfs/dbraw/zinc/44/90/30/557449030.db2.gz XNAVKLHKCSXIQP-SFHVURJKSA-N 1 2 441.597 2.744 40 0 IFABLO COC(=O)c1ccc(NCCC[NH+]2CCOCC2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223413587 557468904 /nfs/dbraw/zinc/46/89/04/557468904.db2.gz MVKAFZVDJCHDTK-UHFFFAOYSA-N 1 2 447.557 2.717 40 0 IFABLO COc1cc(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC ZINC000019643657 557504405 /nfs/dbraw/zinc/50/44/05/557504405.db2.gz SZDBIYLPBAXARK-UHFFFAOYSA-N 1 2 445.541 2.956 40 0 IFABLO CCCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000019823753 557508149 /nfs/dbraw/zinc/50/81/49/557508149.db2.gz BUMRCKIOBNAIKC-UHFFFAOYSA-N 1 2 430.618 2.954 40 0 IFABLO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)N[C@H](C)CC)cc2c1 ZINC000020081362 557514816 /nfs/dbraw/zinc/51/48/16/557514816.db2.gz CZSIUUAJFLEMPF-QGZVFWFLSA-N 1 2 446.617 2.734 40 0 IFABLO O=C(c1ccc(Cn2cc(Cl)cn2)o1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020058347 557522651 /nfs/dbraw/zinc/52/26/51/557522651.db2.gz LUOJNMFQUXPZHT-UHFFFAOYSA-N 1 2 428.876 2.865 40 0 IFABLO COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)cc1 ZINC000224441117 557606602 /nfs/dbraw/zinc/60/66/02/557606602.db2.gz CZQOJBXDQJGTDE-UHFFFAOYSA-N 1 2 442.541 2.533 40 0 IFABLO O=C(c1ccc(OCC[NH+]2CCOCC2)cc1)N1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000257200921 568665511 /nfs/dbraw/zinc/66/55/11/568665511.db2.gz AFJAQOVOUALACV-QHCPKHFHSA-N 1 2 447.539 2.956 40 0 IFABLO CC(C)[NH+]1CCN(C(=O)C[C@H]2CCCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C2)CC1 ZINC000257206331 568667978 /nfs/dbraw/zinc/66/79/78/568667978.db2.gz BCXCWSMBFBYRFO-GOSISDBHSA-N 1 2 443.567 2.816 40 0 IFABLO Cc1cccc(NC(=O)CCCC(=O)N2CC[C@@H](c3n[nH]cc3-c3cc[nH+]c(N)c3)C2)n1 ZINC000257207853 568668651 /nfs/dbraw/zinc/66/86/51/568668651.db2.gz BJPMLFNORWFMLV-QGZVFWFLSA-N 1 2 433.516 2.882 40 0 IFABLO COc1ccc(NC(C)=O)c(NC(=O)CN2CC[N@H+](C)[C@@H](c3ccccc3OC)C2)c1 ZINC000257211651 568670286 /nfs/dbraw/zinc/67/02/86/568670286.db2.gz BZSNITSYEGWOTJ-OAQYLSRUSA-N 1 2 426.517 2.589 40 0 IFABLO COc1ccc(NC(C)=O)c(NC(=O)CN2CC[N@@H+](C)[C@@H](c3ccccc3OC)C2)c1 ZINC000257211651 568670288 /nfs/dbraw/zinc/67/02/88/568670288.db2.gz BZSNITSYEGWOTJ-OAQYLSRUSA-N 1 2 426.517 2.589 40 0 IFABLO CCn1c(=O)oc2cc(NC(=O)C[N@@H+]3CC[C@](C)(O)[C@@H](Oc4cccc(F)c4)C3)ccc21 ZINC000257211796 568670887 /nfs/dbraw/zinc/67/08/87/568670887.db2.gz CALFZLKWNJPMAO-REWPJTCUSA-N 1 2 443.475 2.596 40 0 IFABLO CCn1c(=O)oc2cc(NC(=O)C[N@H+]3CC[C@](C)(O)[C@@H](Oc4cccc(F)c4)C3)ccc21 ZINC000257211796 568670890 /nfs/dbraw/zinc/67/08/90/568670890.db2.gz CALFZLKWNJPMAO-REWPJTCUSA-N 1 2 443.475 2.596 40 0 IFABLO CC(C)c1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](n2ccc3cc(C(N)=O)ccc32)C1 ZINC000257213057 568671378 /nfs/dbraw/zinc/67/13/78/568671378.db2.gz CFZOZYWNQRTOTP-FGZHOGPDSA-N 1 2 445.523 2.658 40 0 IFABLO Cc1[nH+]ccn1CCC(=O)N1CCO[C@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 ZINC000257256639 568691822 /nfs/dbraw/zinc/69/18/22/568691822.db2.gz KMIDRLVSJNGKCC-NRFANRHFSA-N 1 2 445.470 2.805 40 0 IFABLO Cc1nonc1CNC(=O)[C@]1(C)CCCCN1C(=O)CCn1cc[nH+]c1-c1ccccc1 ZINC000257257952 568692278 /nfs/dbraw/zinc/69/22/78/568692278.db2.gz KRTAQLNXFYTFHO-QHCPKHFHSA-N 1 2 436.516 2.719 40 0 IFABLO COc1cccc(-c2cncc([C@@H]3C[N@H+](Cc4ccc5c(c4)n(C)c(=O)n5C)CCO3)n2)c1 ZINC000257273063 568698719 /nfs/dbraw/zinc/69/87/19/568698719.db2.gz NFCOVALCLIKNTK-DEOSSOPVSA-N 1 2 445.523 2.916 40 0 IFABLO COc1cccc(-c2cncc([C@@H]3C[N@@H+](Cc4ccc5c(c4)n(C)c(=O)n5C)CCO3)n2)c1 ZINC000257273063 568698721 /nfs/dbraw/zinc/69/87/21/568698721.db2.gz NFCOVALCLIKNTK-DEOSSOPVSA-N 1 2 445.523 2.916 40 0 IFABLO Cc1cc(C)n(CCCC(=O)N(C)C[C@]2(O)CCCN(c3cc[nH+]c4ccncc43)C2)n1 ZINC000257302545 568712362 /nfs/dbraw/zinc/71/23/62/568712362.db2.gz SDGXEJQBDHNEGB-XMMPIXPASA-N 1 2 436.560 2.713 40 0 IFABLO CN(C)S(=O)(=O)N1CC[C@H](c2n[nH]cc2-c2cc[nH+]c(NCc3ccccc3)c2)C1 ZINC000257339273 568728212 /nfs/dbraw/zinc/72/82/12/568728212.db2.gz ZAZXEIRXQJORKQ-SFHVURJKSA-N 1 2 426.546 2.680 40 0 IFABLO CCc1nnc(Nc2cccc([C@H]3CCCN(C(=O)CC[NH+]4CCOCC4)C3)n2)s1 ZINC000257342902 568729896 /nfs/dbraw/zinc/72/98/96/568729896.db2.gz ZQOBWSMPQFUMCL-INIZCTEOSA-N 1 2 430.578 2.667 40 0 IFABLO CCc1nnc(Nc2cccc([C@@H]3CCCN(C(=O)CC[NH+]4CCOCC4)C3)n2)s1 ZINC000257342903 568729938 /nfs/dbraw/zinc/72/99/38/568729938.db2.gz ZQOBWSMPQFUMCL-MRXNPFEDSA-N 1 2 430.578 2.667 40 0 IFABLO Cc1nc(CN2CC[C@]3(CN(C(=O)C4CC4)C[C@@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306123722 568762761 /nfs/dbraw/zinc/76/27/61/568762761.db2.gz AUPFUFICHNNDLK-XMSQKQJNSA-N 1 2 427.574 2.984 40 0 IFABLO Cc1nc(CN2CC[C@]3(CN(C(=O)C4CC4)C[C@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306123721 568762835 /nfs/dbraw/zinc/76/28/35/568762835.db2.gz AUPFUFICHNNDLK-PGRDOPGGSA-N 1 2 427.574 2.984 40 0 IFABLO Cc1nc(CN2CC[C@]3(CN(C(=O)N(C)C)C[C@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306132029 568766844 /nfs/dbraw/zinc/76/68/44/568766844.db2.gz KVYASFZTGNRYCH-LAUBAEHRSA-N 1 2 430.578 2.729 40 0 IFABLO CCOCC(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC000306138617 568770689 /nfs/dbraw/zinc/77/06/89/568770689.db2.gz SCFYLOSIUIALPW-PGRDOPGGSA-N 1 2 445.589 2.610 40 0 IFABLO O=S1(=O)c2cccnc2O[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2N1Cc1ccccc1 ZINC000306142553 568772603 /nfs/dbraw/zinc/77/26/03/568772603.db2.gz XCXKLHHFPLUQKK-OALUTQOASA-N 1 2 427.551 2.979 40 0 IFABLO O=S1(=O)c2cccnc2O[C@H]2C[N@H+](Cc3ccsc3)C[C@@H]2N1Cc1ccccc1 ZINC000306142553 568772604 /nfs/dbraw/zinc/77/26/04/568772604.db2.gz XCXKLHHFPLUQKK-OALUTQOASA-N 1 2 427.551 2.979 40 0 IFABLO CCn1cc(C[N@@H+]2CCN(CC3CC3)[C@H](c3cn4c(cccc4N4CCOCC4)n3)C2)cn1 ZINC000306145151 568774067 /nfs/dbraw/zinc/77/40/67/568774067.db2.gz ZZPBTSQOVUAMNI-QHCPKHFHSA-N 1 2 449.603 2.656 40 0 IFABLO CCn1cc(C[N@H+]2CCN(CC3CC3)[C@H](c3cn4c(cccc4N4CCOCC4)n3)C2)cn1 ZINC000306145151 568774069 /nfs/dbraw/zinc/77/40/69/568774069.db2.gz ZZPBTSQOVUAMNI-QHCPKHFHSA-N 1 2 449.603 2.656 40 0 IFABLO CCn1cc(CN2CC[N@H+](CC3CC3)[C@H](c3cn4c(cccc4N4CCOCC4)n3)C2)cn1 ZINC000306145151 568774072 /nfs/dbraw/zinc/77/40/72/568774072.db2.gz ZZPBTSQOVUAMNI-QHCPKHFHSA-N 1 2 449.603 2.656 40 0 IFABLO CCn1cc(CN2CC[N@@H+](CC3CC3)[C@H](c3cn4c(cccc4N4CCOCC4)n3)C2)cn1 ZINC000306145151 568774074 /nfs/dbraw/zinc/77/40/74/568774074.db2.gz ZZPBTSQOVUAMNI-QHCPKHFHSA-N 1 2 449.603 2.656 40 0 IFABLO COc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NCCO)n2)c1 ZINC000328962997 568807728 /nfs/dbraw/zinc/80/77/28/568807728.db2.gz BLVZSFZQCRMEOZ-UHFFFAOYSA-N 1 2 434.418 2.911 40 0 IFABLO C[C@@H](CO)Nc1nc(Nc2ccc(I)cc2Cl)cc(C2CC2)[nH+]1 ZINC000328974787 568808242 /nfs/dbraw/zinc/80/82/42/568808242.db2.gz FGNVYAWODZUIAO-VIFPVBQESA-N 1 2 444.704 2.992 40 0 IFABLO OCCNc1nc(Nc2ccccc2I)cc(-c2ccccc2)[nH+]1 ZINC000329005177 568809118 /nfs/dbraw/zinc/80/91/18/568809118.db2.gz KWKFHROQSKNCDI-UHFFFAOYSA-N 1 2 432.265 2.740 40 0 IFABLO COc1cccc(C[N@@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c1OC ZINC000019694977 569229405 /nfs/dbraw/zinc/22/94/05/569229405.db2.gz HJSNPNSTMGMMHP-FQEVSTJZSA-N 1 2 436.516 2.590 40 0 IFABLO COc1cccc(C[N@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c1OC ZINC000019694977 569229406 /nfs/dbraw/zinc/22/94/06/569229406.db2.gz HJSNPNSTMGMMHP-FQEVSTJZSA-N 1 2 436.516 2.590 40 0 IFABLO COc1ccc(C[N@@H+]2CCO[C@H](c3c4cccnc4sc3C(=O)N(C)CCO)C2)cc1 ZINC000019702661 569232161 /nfs/dbraw/zinc/23/21/61/569232161.db2.gz KIILUBQLKXOLGS-IBGZPJMESA-N 1 2 441.553 2.943 40 0 IFABLO COc1ccc(C[N@H+]2CCO[C@H](c3c4cccnc4sc3C(=O)N(C)CCO)C2)cc1 ZINC000019702661 569232162 /nfs/dbraw/zinc/23/21/62/569232162.db2.gz KIILUBQLKXOLGS-IBGZPJMESA-N 1 2 441.553 2.943 40 0 IFABLO Cc1nc([C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccn3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019766110 569239152 /nfs/dbraw/zinc/23/91/52/569239152.db2.gz LDFFAWSBSRXRPZ-LJQANCHMSA-N 1 2 444.539 2.880 40 0 IFABLO Cc1nc([C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccn3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019766110 569239153 /nfs/dbraw/zinc/23/91/53/569239153.db2.gz LDFFAWSBSRXRPZ-LJQANCHMSA-N 1 2 444.539 2.880 40 0 IFABLO