smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2O)c2ccc(F)cc2C1 ZINC000184519289 1032291771 /nfs/dbraw/zinc/29/17/71/1032291771.db2.gz LOWCNZTZCWGUJJ-YJYMSZOUSA-N 1 0 342.414 3.675 10 10 EHCERO Cc1ccc(N2CCC([NH2+][C@@H](C)c3cc(C)ccc3O)CC2)nc1 ZINC000185539426 1032440534 /nfs/dbraw/zinc/44/05/34/1032440534.db2.gz KBZPIBXEHLWMPD-INIZCTEOSA-N 1 0 325.456 3.724 10 10 EHCERO CC[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1cc(Br)ccc1O ZINC000252007573 1029172729 /nfs/dbraw/zinc/17/27/29/1029172729.db2.gz XEOFJYIXQDONER-UJDVCPFMSA-N 1 0 340.261 3.763 10 10 EHCERO C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(O)cc1O ZINC000038018501 202386790 /nfs/dbraw/zinc/38/67/90/202386790.db2.gz LOFDAHHPKMHITP-QMMMGPOBSA-N 1 0 328.231 3.773 10 10 EHCERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)c2ccc(F)cc2C1 ZINC000184519237 1032290691 /nfs/dbraw/zinc/29/06/91/1032290691.db2.gz LOWCNZTZCWGUJJ-ORAYPTAESA-N 1 0 342.414 3.675 10 10 EHCERO Cn1ccnc1CC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000121767191 1025763527 /nfs/dbraw/zinc/76/35/27/1025763527.db2.gz JTLCHPCBGMTTQU-UHFFFAOYSA-N 1 0 335.451 3.734 10 10 EHCERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(Cl)ccc1O ZINC000248492700 1028916479 /nfs/dbraw/zinc/91/64/79/1028916479.db2.gz JMZAHWSJLVJOPE-GHJWDPDVSA-N 1 0 327.877 3.751 10 10 EHCERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)c(O)c1 ZINC000185763407 1035529796 /nfs/dbraw/zinc/52/97/96/1035529796.db2.gz LGLYMBRSSRCZOX-NVXWUHKLSA-N 1 0 330.472 3.532 10 10 EHCERO CC[C@@H]([NH2+]CC[C@H]1CCCO1)c1cc(Br)ccc1O ZINC000038095575 202100192 /nfs/dbraw/zinc/10/01/92/202100192.db2.gz NDWQTEXBDCOMBQ-TZMCWYRMSA-N 1 0 328.250 3.765 10 10 EHCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000185472829 1032401003 /nfs/dbraw/zinc/40/10/03/1032401003.db2.gz IFXJRRRWWKUBBP-ZWOKBUDYSA-N 1 0 339.483 3.657 10 10 EHCERO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(O)cc1O ZINC000038018502 202387766 /nfs/dbraw/zinc/38/77/66/202387766.db2.gz LOFDAHHPKMHITP-MRVPVSSYSA-N 1 0 328.231 3.773 10 10 EHCERO CC[C@@H]([NH2+]C1CCN(c2cccc(C)n2)CC1)c1ccccc1O ZINC000185211422 1032370386 /nfs/dbraw/zinc/37/03/86/1032370386.db2.gz MKLDWGBCILDMMZ-GOSISDBHSA-N 1 0 325.456 3.805 10 10 EHCERO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1 ZINC000245638733 1028955365 /nfs/dbraw/zinc/95/53/65/1028955365.db2.gz CUKYRBXTGXYMOB-YJYMSZOUSA-N 1 0 331.387 3.502 10 10 EHCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000185762664 1035529498 /nfs/dbraw/zinc/52/94/98/1035529498.db2.gz ZFMNMEDCQFQYMB-RDJZCZTQSA-N 1 0 330.472 3.532 10 10 EHCERO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c(O)c1 ZINC000122795415 1026732086 /nfs/dbraw/zinc/73/20/86/1026732086.db2.gz VQZKNVDAGBIKAH-GOSISDBHSA-N 1 0 343.471 3.868 10 10 EHCERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cc2c(cc1O)CCCC2 ZINC000248517165 1028882929 /nfs/dbraw/zinc/88/29/29/1028882929.db2.gz PDXUQGIFXYPHJI-VHFSOBRXSA-N 1 0 347.524 3.976 10 10 EHCERO CCOc1ccc(O)c(C[NH+]2CCC(c3nc(C)cs3)CC2)c1 ZINC000092787494 1030518831 /nfs/dbraw/zinc/51/88/31/1030518831.db2.gz NEQBVCBNDHDPMS-UHFFFAOYSA-N 1 0 332.469 3.935 10 10 EHCERO CCCOc1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c(O)c1 ZINC000186433813 1035632270 /nfs/dbraw/zinc/63/22/70/1035632270.db2.gz WRAOBLYFYHNQGE-NRFANRHFSA-N 1 0 339.435 3.812 10 10 EHCERO C[C@H]([NH2+]Cc1cc(F)ccc1Br)c1cc(O)ccc1O ZINC000038038947 202093134 /nfs/dbraw/zinc/09/31/34/202093134.db2.gz XDQAVDWODUNFNB-VIFPVBQESA-N 1 0 340.192 3.850 10 10 EHCERO Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(N(C)C)cc3)CC2)n1 ZINC000128116479 1027397109 /nfs/dbraw/zinc/39/71/09/1027397109.db2.gz WCZJAFLGRQCMJB-KRWDZBQOSA-N 1 0 338.499 3.776 10 10 EHCERO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3nc(C)cs3)CC2)c1O ZINC000079407770 1029638422 /nfs/dbraw/zinc/63/84/22/1029638422.db2.gz LRFWLWHMTOKKHW-UHFFFAOYSA-N 1 0 348.443 3.878 10 10 EHCERO C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(N2CCOCC2)cc1 ZINC000247358705 1040569194 /nfs/dbraw/zinc/56/91/94/1040569194.db2.gz YOOOATPLWGGTCB-RAKGIWIYSA-N 1 0 348.490 3.760 10 10 EHCERO Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(C)cc3O)CC2)nc1 ZINC000185539679 1032440938 /nfs/dbraw/zinc/44/09/38/1032440938.db2.gz FTFZDXFUOIKQAN-INIZCTEOSA-N 1 0 325.456 3.724 10 10 EHCERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(Br)cc1O ZINC000248515882 1028882785 /nfs/dbraw/zinc/88/27/85/1028882785.db2.gz OLAKEMVNQMLSAA-BWPSIRRCSA-N 1 0 340.261 3.763 10 10 EHCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000252802847 1029249780 /nfs/dbraw/zinc/24/97/80/1029249780.db2.gz VRGPISQPEZGYLJ-MAUKXSAKSA-N 1 0 347.480 3.941 10 10 EHCERO COc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1O ZINC000245805779 1029321845 /nfs/dbraw/zinc/32/18/45/1029321845.db2.gz YNEHJUUEYKKHDR-ACJLOTCBSA-N 1 0 331.387 3.502 10 10 EHCERO CC[C@H]([NH2+]C1CCN(c2cccc(C)n2)CC1)c1ccccc1O ZINC000185211403 1032369749 /nfs/dbraw/zinc/36/97/49/1032369749.db2.gz MKLDWGBCILDMMZ-SFHVURJKSA-N 1 0 325.456 3.805 10 10 EHCERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(Br)cc1O ZINC000248523525 1028883318 /nfs/dbraw/zinc/88/33/18/1028883318.db2.gz SQGPVGKSBQHROI-FFFUXKDYSA-N 1 0 340.261 3.619 10 10 EHCERO COc1ccc(O)c(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1 ZINC000245638722 1028956511 /nfs/dbraw/zinc/95/65/11/1028956511.db2.gz CUKYRBXTGXYMOB-DJJJIMSYSA-N 1 0 331.387 3.502 10 10 EHCERO CCCOc1ccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c(O)c1 ZINC000186433795 1035632589 /nfs/dbraw/zinc/63/25/89/1035632589.db2.gz WRAOBLYFYHNQGE-OAQYLSRUSA-N 1 0 339.435 3.812 10 10 EHCERO Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(N(C)C)cc3)CC2)nc1 ZINC000163472628 1043962707 /nfs/dbraw/zinc/96/27/07/1043962707.db2.gz XVYMVVRBAVBMCC-KRWDZBQOSA-N 1 0 338.499 3.776 10 10 EHCERO CC[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cc(Br)ccc1O ZINC000038095573 202100133 /nfs/dbraw/zinc/10/01/33/202100133.db2.gz NDWQTEXBDCOMBQ-GXTWGEPZSA-N 1 0 328.250 3.765 10 10 EHCERO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)c2ccc(F)cc2C1 ZINC000184519253 1032291467 /nfs/dbraw/zinc/29/14/67/1032291467.db2.gz LOWCNZTZCWGUJJ-BFUOFWGJSA-N 1 0 342.414 3.675 10 10 EHCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c(O)c1 ZINC000248484534 1028916082 /nfs/dbraw/zinc/91/60/82/1028916082.db2.gz DKAJNEMEYARVNN-FUHIMQAGSA-N 1 0 339.483 3.657 10 10 EHCERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(Br)cc1O ZINC000248875837 1028960437 /nfs/dbraw/zinc/96/04/37/1028960437.db2.gz RBPGUFKWAFXRQL-YNZJMPHRSA-N 1 0 340.261 3.763 10 10 EHCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000252802846 1029249751 /nfs/dbraw/zinc/24/97/51/1029249751.db2.gz VRGPISQPEZGYLJ-CRAIPNDOSA-N 1 0 347.480 3.941 10 10 EHCERO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccc1O ZINC000156361074 1029823948 /nfs/dbraw/zinc/82/39/48/1029823948.db2.gz YOXWJJWRNXHBCQ-SJLPKXTDSA-N 1 0 330.472 3.614 10 10 EHCERO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(N(C)C)cc1 ZINC000123800722 1038080662 /nfs/dbraw/zinc/08/06/62/1038080662.db2.gz CAXIXBBCYAVYOZ-QFBILLFUSA-N 1 0 343.515 3.584 10 10 EHCERO COc1cccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c1O ZINC000092188048 1030403341 /nfs/dbraw/zinc/40/33/41/1030403341.db2.gz LNXCLPAFCCWCBH-UHFFFAOYSA-N 1 0 330.403 3.616 10 10 EHCERO C[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1cc(Cl)ccc1O ZINC000185877905 1035554368 /nfs/dbraw/zinc/55/43/68/1035554368.db2.gz MJMIPKPLIDDBBY-BXUZGUMPSA-N 1 0 330.815 3.822 10 10 EHCERO CCOCCN(CC)c1ccc([C@@H](C)[NH2+]C)cc1Br ZINC000104202920 219359285 /nfs/dbraw/zinc/35/92/85/219359285.db2.gz BPUJPQHFVRFFNZ-GFCCVEGCSA-N 1 0 329.282 3.592 10 10 EHCERO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1O ZINC000184686422 1032316149 /nfs/dbraw/zinc/31/61/49/1032316149.db2.gz SEJWKAOJPHAQCZ-LLVKDONJSA-N 1 0 338.860 3.890 10 10 EHCERO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185683755 1035510778 /nfs/dbraw/zinc/51/07/78/1035510778.db2.gz UQIFZVHKVSFJLC-SMDDNHRTSA-N 1 0 334.851 3.946 10 10 EHCERO Cc1cccc(N2CCC([NH2+][C@@H](C)c3cc(F)ccc3O)CC2)n1 ZINC000185478292 1032401086 /nfs/dbraw/zinc/40/10/86/1032401086.db2.gz FZPDTFHGBPSOFS-AWEZNQCLSA-N 1 0 329.419 3.554 10 10 EHCERO CC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000034683281 202274647 /nfs/dbraw/zinc/27/46/47/202274647.db2.gz QMQREWJUNJLZJH-UHFFFAOYSA-N 1 0 338.451 3.718 10 10 EHCERO Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000188567198 1035950428 /nfs/dbraw/zinc/95/04/28/1035950428.db2.gz OYEGUGOLFDWZQP-SFHLNBCPSA-N 1 0 339.435 3.628 10 10 EHCERO C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1[O-] ZINC000195133573 1028583215 /nfs/dbraw/zinc/58/32/15/1028583215.db2.gz PAMSTEBSMHQSQC-HOCLYGCPSA-N 1 0 346.421 3.843 10 10 EHCERO Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(N(C)C)cc3)CC2)nc1 ZINC000163472719 1043962530 /nfs/dbraw/zinc/96/25/30/1043962530.db2.gz XVYMVVRBAVBMCC-QGZVFWFLSA-N 1 0 338.499 3.776 10 10 EHCERO C[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(O)cc1O ZINC000038038982 202092421 /nfs/dbraw/zinc/09/24/21/202092421.db2.gz KQNOCFDMBGJMGX-SECBINFHSA-N 1 0 340.192 3.850 10 10 EHCERO Cc1ncsc1CN(C)c1ccc([C@H](C)[NH3+])cc1Br ZINC000104442019 219387242 /nfs/dbraw/zinc/38/72/42/219387242.db2.gz KXLFORVOUYTNHN-VIFPVBQESA-N 1 0 340.290 3.870 10 10 EHCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000248490695 1028917962 /nfs/dbraw/zinc/91/79/62/1028917962.db2.gz IFXJRRRWWKUBBP-UWVAXJGDSA-N 1 0 339.483 3.657 10 10 EHCERO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(N(C)C)cc1 ZINC000123801155 1038081453 /nfs/dbraw/zinc/08/14/53/1038081453.db2.gz CAXIXBBCYAVYOZ-LPHOPBHVSA-N 1 0 343.515 3.584 10 10 EHCERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)c(O)c1 ZINC000185763447 1035529979 /nfs/dbraw/zinc/52/99/79/1035529979.db2.gz LGLYMBRSSRCZOX-WBVHZDCISA-N 1 0 330.472 3.532 10 10 EHCERO C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1cc(Cl)ccc1O ZINC000185877948 1035554057 /nfs/dbraw/zinc/55/40/57/1035554057.db2.gz MJMIPKPLIDDBBY-RISCZKNCSA-N 1 0 330.815 3.822 10 10 EHCERO CC[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1cc(Br)ccc1O ZINC000187277687 1035803115 /nfs/dbraw/zinc/80/31/15/1035803115.db2.gz XEOFJYIXQDONER-UZMCECQYSA-N 1 0 340.261 3.763 10 10 EHCERO CC[C@H]([NH2+]CC[C@H]1CCCO1)c1cc(Br)ccc1O ZINC000038095574 213201245 /nfs/dbraw/zinc/20/12/45/213201245.db2.gz NDWQTEXBDCOMBQ-OCCSQVGLSA-N 1 0 328.250 3.765 10 10 EHCERO Cc1ccc(N2CCC([NH2+][C@H](C)c3cc(F)ccc3O)CC2)nc1 ZINC000185539865 1032440395 /nfs/dbraw/zinc/44/03/95/1032440395.db2.gz ZDWRMFUQSBWPBC-CQSZACIVSA-N 1 0 329.419 3.554 10 10 EHCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000185762623 1035529850 /nfs/dbraw/zinc/52/98/50/1035529850.db2.gz ZFMNMEDCQFQYMB-DOTOQJQBSA-N 1 0 330.472 3.532 10 10 EHCERO C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1[O-] ZINC000195133583 1028584949 /nfs/dbraw/zinc/58/49/49/1028584949.db2.gz PAMSTEBSMHQSQC-ZBFHGGJFSA-N 1 0 346.421 3.843 10 10 EHCERO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000184733103 1032306005 /nfs/dbraw/zinc/30/60/05/1032306005.db2.gz GLYZJWMHBAVGHX-INIZCTEOSA-N 1 0 335.451 3.734 10 10 EHCERO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000248484978 1028917796 /nfs/dbraw/zinc/91/77/96/1028917796.db2.gz DRDMSJSYWZRWTR-VHKYSDTDSA-N 1 0 327.424 3.972 10 10 EHCERO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1O ZINC000182093169 1032027813 /nfs/dbraw/zinc/02/78/13/1032027813.db2.gz COGWZZQNTMCTAV-CQSZACIVSA-N 1 0 333.863 3.542 10 10 EHCERO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185683738 1035511792 /nfs/dbraw/zinc/51/17/92/1035511792.db2.gz UQIFZVHKVSFJLC-FZMZJTMJSA-N 1 0 334.851 3.946 10 10 EHCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)c(O)c1 ZINC000185763427 1035528938 /nfs/dbraw/zinc/52/89/38/1035528938.db2.gz LGLYMBRSSRCZOX-DOTOQJQBSA-N 1 0 330.472 3.532 10 10 EHCERO Oc1ccc2ccccc2c1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000195089080 1028578261 /nfs/dbraw/zinc/57/82/61/1028578261.db2.gz ZQQCLJZMFZMLGI-UHFFFAOYSA-N 1 0 339.464 3.714 10 10 EHCERO C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1[O-] ZINC000195133609 1028584618 /nfs/dbraw/zinc/58/46/18/1028584618.db2.gz PAMSTEBSMHQSQC-GDBMZVCRSA-N 1 0 346.421 3.843 10 10 EHCERO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1O ZINC000248384228 1028877848 /nfs/dbraw/zinc/87/78/48/1028877848.db2.gz DDUIDISGASKFLL-KHDYIWLOSA-N 1 0 332.394 3.766 10 10 EHCERO Oc1cccc([C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)c1 ZINC000093457665 1030614639 /nfs/dbraw/zinc/61/46/39/1030614639.db2.gz HGOBDVUBVWXWGG-NRFANRHFSA-N 1 0 335.403 3.825 10 10 EHCERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(N(C)C)cc1 ZINC000123800942 1038081937 /nfs/dbraw/zinc/08/19/37/1038081937.db2.gz CAXIXBBCYAVYOZ-VQIMIIECSA-N 1 0 343.515 3.584 10 10 EHCERO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c(O)c1 ZINC000122795684 1026731528 /nfs/dbraw/zinc/73/15/28/1026731528.db2.gz VQZKNVDAGBIKAH-SFHVURJKSA-N 1 0 343.471 3.868 10 10 EHCERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(Br)cc1O ZINC000248523527 1028881962 /nfs/dbraw/zinc/88/19/62/1028881962.db2.gz SQGPVGKSBQHROI-JQWOWJDXSA-N 1 0 340.261 3.619 10 10 EHCERO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1OC)c1cc(Br)ccc1O ZINC000050369836 214054848 /nfs/dbraw/zinc/05/48/48/214054848.db2.gz MHZFNWSXLGVOOX-NFAWXSAZSA-N 1 0 328.250 3.763 10 10 EHCERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1O ZINC000248384229 1028877939 /nfs/dbraw/zinc/87/79/39/1028877939.db2.gz DDUIDISGASKFLL-WILYLXEWSA-N 1 0 332.394 3.766 10 10 EHCERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(Br)ccc1O ZINC000248519565 1028882497 /nfs/dbraw/zinc/88/24/97/1028882497.db2.gz QODYQPKYJQLVPI-PNEXNCLXSA-N 1 0 340.261 3.763 10 10 EHCERO Cc1cc(Cl)cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1O ZINC000179908066 1037964943 /nfs/dbraw/zinc/96/49/43/1037964943.db2.gz VUBSFGPVNOHIPW-KRWDZBQOSA-N 1 0 339.863 3.514 10 10 EHCERO C[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1cc(Cl)ccc1O ZINC000185877886 1035554896 /nfs/dbraw/zinc/55/48/96/1035554896.db2.gz MJMIPKPLIDDBBY-SMDDNHRTSA-N 1 0 330.815 3.822 10 10 EHCERO Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000188567247 1035951634 /nfs/dbraw/zinc/95/16/34/1035951634.db2.gz OYEGUGOLFDWZQP-SBHAEUEKSA-N 1 0 339.435 3.628 10 10 EHCERO CC[C@H]([NH2+][C@H]1CCC[C@@H]1OC)c1cc(Br)ccc1O ZINC000050369837 214054245 /nfs/dbraw/zinc/05/42/45/214054245.db2.gz MHZFNWSXLGVOOX-YDHLFZDLSA-N 1 0 328.250 3.763 10 10 EHCERO Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)c(O)c1 ZINC000185478035 1032401541 /nfs/dbraw/zinc/40/15/41/1032401541.db2.gz RTGVHPNTLMPPJE-INIZCTEOSA-N 1 0 325.456 3.724 10 10 EHCERO CN1CC[C@@H](C[NH2+]Cc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245761101 1029258672 /nfs/dbraw/zinc/25/86/72/1029258672.db2.gz ZLPQVRYTKGPXFK-HNAYVOBHSA-N 1 0 348.849 3.967 10 10 EHCERO COc1cc(Cl)cc(C[NH2+][C@H]2CCOc3c(C)cccc32)c1O ZINC000188128268 1035900844 /nfs/dbraw/zinc/90/08/44/1035900844.db2.gz DFBOPSJABIVEKO-HNNXBMFYSA-N 1 0 333.815 3.976 10 10 EHCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c(O)c1 ZINC000185473428 1032402402 /nfs/dbraw/zinc/40/24/02/1032402402.db2.gz DKAJNEMEYARVNN-ABSDTBQOSA-N 1 0 339.483 3.657 10 10 EHCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c(O)c1 ZINC000185473464 1032401676 /nfs/dbraw/zinc/40/16/76/1032401676.db2.gz DKAJNEMEYARVNN-ZWOKBUDYSA-N 1 0 339.483 3.657 10 10 EHCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)c(O)c1 ZINC000248484536 1028915921 /nfs/dbraw/zinc/91/59/21/1028915921.db2.gz DKAJNEMEYARVNN-UWVAXJGDSA-N 1 0 339.483 3.657 10 10 EHCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000248484976 1028917464 /nfs/dbraw/zinc/91/74/64/1028917464.db2.gz DRDMSJSYWZRWTR-KPOBHBOGSA-N 1 0 327.424 3.972 10 10 EHCERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1OC)c1cc(Br)ccc1O ZINC000050369834 214054575 /nfs/dbraw/zinc/05/45/75/214054575.db2.gz MHZFNWSXLGVOOX-GUTXKFCHSA-N 1 0 328.250 3.763 10 10 EHCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000185472793 1032401484 /nfs/dbraw/zinc/40/14/84/1032401484.db2.gz IFXJRRRWWKUBBP-ABSDTBQOSA-N 1 0 339.483 3.657 10 10 EHCERO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000246390357 1028313976 /nfs/dbraw/zinc/31/39/76/1028313976.db2.gz KTUIUIOXJDJXIG-WDYCEAGBSA-N 1 0 334.529 3.848 10 10 EHCERO Oc1cccc([C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)c1 ZINC000093457666 1030614772 /nfs/dbraw/zinc/61/47/72/1030614772.db2.gz HGOBDVUBVWXWGG-OAQYLSRUSA-N 1 0 335.403 3.825 10 10 EHCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1O ZINC000175616210 1031354586 /nfs/dbraw/zinc/35/45/86/1031354586.db2.gz WNPGXBVVGHWKDA-GFCCVEGCSA-N 1 0 334.416 3.570 10 10 EHCERO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185683772 1035510657 /nfs/dbraw/zinc/51/06/57/1035510657.db2.gz UQIFZVHKVSFJLC-RISCZKNCSA-N 1 0 334.851 3.946 10 10 EHCERO C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000038018961 213191828 /nfs/dbraw/zinc/19/18/28/213191828.db2.gz VIBWPVOGAWYIOA-FTNCPSPGSA-N 1 0 329.271 3.661 10 10 EHCERO Cc1ccc(N2CCC([NH2+][C@@H](C)c3cc(F)ccc3O)CC2)nc1 ZINC000185539846 1032439728 /nfs/dbraw/zinc/43/97/28/1032439728.db2.gz ZDWRMFUQSBWPBC-AWEZNQCLSA-N 1 0 329.419 3.554 10 10 EHCERO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)c1 ZINC000185477627 1032401201 /nfs/dbraw/zinc/40/12/01/1032401201.db2.gz LAZUIJQTXSVYJD-MRXNPFEDSA-N 1 0 325.456 3.724 10 10 EHCERO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)c1 ZINC000185477646 1032402256 /nfs/dbraw/zinc/40/22/56/1032402256.db2.gz LAZUIJQTXSVYJD-INIZCTEOSA-N 1 0 325.456 3.724 10 10 EHCERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cc(Br)ccc1O ZINC000248521349 1028883163 /nfs/dbraw/zinc/88/31/63/1028883163.db2.gz RLUYLMUXDOAGKA-YZENIEGJSA-N 1 0 340.261 3.619 10 10 EHCERO CC[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccc1O ZINC000156361183 1029823350 /nfs/dbraw/zinc/82/33/50/1029823350.db2.gz YOXWJJWRNXHBCQ-WMZOPIPTSA-N 1 0 330.472 3.614 10 10 EHCERO CC[C@H]1C[N@H+](Cc2ccc(OC)cc2O)Cc2cc(OC)ccc2O1 ZINC000011871606 211261076 /nfs/dbraw/zinc/26/10/76/211261076.db2.gz GFPDMHXAOFCPMU-INIZCTEOSA-N 1 0 343.423 3.583 10 10 EHCERO Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249189472 1028995940 /nfs/dbraw/zinc/99/59/40/1028995940.db2.gz OYEGUGOLFDWZQP-QKNQBKEWSA-N 1 0 339.435 3.628 10 10 EHCERO Cc1cc(Cl)cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1O ZINC000179908083 1031818593 /nfs/dbraw/zinc/81/85/93/1031818593.db2.gz VUBSFGPVNOHIPW-QGZVFWFLSA-N 1 0 339.863 3.514 10 10 EHCERO C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187678539 1035871892 /nfs/dbraw/zinc/87/18/92/1035871892.db2.gz PCLMBCFCLWFAPU-ZDUSSCGKSA-N 1 0 338.442 3.976 10 10 EHCERO Oc1ccc(-c2nccn2-c2ccc(C[NH+]3CCCC3)cc2)cc1O ZINC000067785890 215212339 /nfs/dbraw/zinc/21/23/39/215212339.db2.gz REDHJGRJPPMQAP-UHFFFAOYSA-N 1 0 335.407 3.546 10 10 EHCERO C[NH2+]Cc1ccc(N(C)Cc2cc(Br)cs2)cc1 ZINC000042399999 213502432 /nfs/dbraw/zinc/50/24/32/213502432.db2.gz RDUDHWOZWJHHTL-UHFFFAOYSA-N 1 0 325.275 3.866 10 10 EHCERO Cc1cccc(N2CCC([NH2+][C@H](C)c3cc(F)ccc3O)CC2)n1 ZINC000185478309 1032401319 /nfs/dbraw/zinc/40/13/19/1032401319.db2.gz FZPDTFHGBPSOFS-CQSZACIVSA-N 1 0 329.419 3.554 10 10 EHCERO COc1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1O ZINC000248868390 1028957937 /nfs/dbraw/zinc/95/79/37/1028957937.db2.gz IWGSXPVAZBJHRQ-CVEARBPZSA-N 1 0 338.879 3.501 10 10 EHCERO COc1ccc2c(c1)sc(/C=C/c1ccc(N(C)C)cc1)[n+]2C ZINC000039850484 213241694 /nfs/dbraw/zinc/24/16/94/213241694.db2.gz FKXJMFSRTKDUIK-UHFFFAOYSA-N 1 0 325.457 3.971 10 10 EHCERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(Br)cc1O ZINC000248515883 1028883023 /nfs/dbraw/zinc/88/30/23/1028883023.db2.gz OLAKEMVNQMLSAA-YDEYXMKJSA-N 1 0 340.261 3.763 10 10 EHCERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc(Br)ccc1O ZINC000248519569 1028883202 /nfs/dbraw/zinc/88/32/02/1028883202.db2.gz QODYQPKYJQLVPI-SFXCNKRSSA-N 1 0 340.261 3.763 10 10 EHCERO CC[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc(Br)ccc1O ZINC000252007577 1029173297 /nfs/dbraw/zinc/17/32/97/1029173297.db2.gz XEOFJYIXQDONER-ZIEJDFEHSA-N 1 0 340.261 3.763 10 10 EHCERO COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1Cn1ccnc1 ZINC000009740666 211121257 /nfs/dbraw/zinc/12/12/57/211121257.db2.gz WUCPXJZKIGXNNK-UHFFFAOYSA-N 1 0 341.842 3.883 10 10 EHCERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cc(Br)ccc1O ZINC000248521347 1028882140 /nfs/dbraw/zinc/88/21/40/1028882140.db2.gz RLUYLMUXDOAGKA-FOOGCRFISA-N 1 0 340.261 3.619 10 10 EHCERO CCCN(CCC)c1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000092648117 1030494209 /nfs/dbraw/zinc/49/42/09/1030494209.db2.gz ANZHQTDRROQVIE-UHFFFAOYSA-N 1 0 341.503 3.742 10 10 EHCERO COc1ccc(O)c(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000179800329 1031809024 /nfs/dbraw/zinc/80/90/24/1031809024.db2.gz CPNHCAUTCHPZJA-UHFFFAOYSA-N 1 0 330.403 3.616 10 10 EHCERO C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187678560 1035871815 /nfs/dbraw/zinc/87/18/15/1035871815.db2.gz PCLMBCFCLWFAPU-CYBMUJFWSA-N 1 0 338.442 3.976 10 10 EHCERO CC[C@@H]([NH2+][C@H]1CCC[C@@H]1OC)c1cc(Br)ccc1O ZINC000050369839 214054361 /nfs/dbraw/zinc/05/43/61/214054361.db2.gz MHZFNWSXLGVOOX-IPYPFGDCSA-N 1 0 328.250 3.763 10 10 EHCERO CCOCCN(CC)c1ccc([C@H](C)[NH2+]C)cc1Br ZINC000104202924 219359179 /nfs/dbraw/zinc/35/91/79/219359179.db2.gz BPUJPQHFVRFFNZ-LBPRGKRZSA-N 1 0 329.282 3.592 10 10 EHCERO C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1[O-] ZINC000195133594 1028584213 /nfs/dbraw/zinc/58/42/13/1028584213.db2.gz PAMSTEBSMHQSQC-GOEBONIOSA-N 1 0 346.421 3.843 10 10 EHCERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(Br)cc1O ZINC000248875835 1028959661 /nfs/dbraw/zinc/95/96/61/1028959661.db2.gz RBPGUFKWAFXRQL-OWRWGESLSA-N 1 0 340.261 3.763 10 10 EHCERO C[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1cc(Cl)ccc1O ZINC000185877923 1035554856 /nfs/dbraw/zinc/55/48/56/1035554856.db2.gz MJMIPKPLIDDBBY-FZMZJTMJSA-N 1 0 330.815 3.822 10 10 EHCERO CCOc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1O ZINC000245799499 1029313707 /nfs/dbraw/zinc/31/37/07/1029313707.db2.gz XOMOSLRVTQXHCE-CXAGYDPISA-N 1 0 333.453 3.814 10 10 EHCERO COc1cc(O)c(CN2CCC[C@H]2c2csc(C)n2)cc1OC ZINC000186869814 1140225844 /nfs/dbraw/zinc/22/58/44/1140225844.db2.gz VWMMOIOBQNEEAR-AWEZNQCLSA-N 1 0 334.441 3.511 10 10 EHCERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(Br)cc1O ZINC000248515884 1028882278 /nfs/dbraw/zinc/88/22/78/1028882278.db2.gz OLAKEMVNQMLSAA-YZOIGVHSSA-N 1 0 340.261 3.763 10 10 EHCERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cc(Br)ccc1O ZINC000248802816 1028949567 /nfs/dbraw/zinc/94/95/67/1028949567.db2.gz JUWZTBLBGBMELE-YNZJMPHRSA-N 1 0 340.261 3.763 10 10 EHCERO Cc1ccc(N2CCC([NH2+][C@H](C)c3cc(C)ccc3O)CC2)nc1 ZINC000185539408 1032439928 /nfs/dbraw/zinc/43/99/28/1032439928.db2.gz KBZPIBXEHLWMPD-MRXNPFEDSA-N 1 0 325.456 3.724 10 10 EHCERO COc1cccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1O ZINC000245805783 1029321271 /nfs/dbraw/zinc/32/12/71/1029321271.db2.gz YNEHJUUEYKKHDR-UGSOOPFHSA-N 1 0 331.387 3.502 10 10 EHCERO CCCOc1ccc(C[NH+]2CCC(Nc3nccs3)CC2)c(O)c1 ZINC000189950171 1036167419 /nfs/dbraw/zinc/16/74/19/1036167419.db2.gz XSJUZGDIJUYFSK-UHFFFAOYSA-N 1 0 347.484 3.714 10 10 EHCERO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000184733119 1032306704 /nfs/dbraw/zinc/30/67/04/1032306704.db2.gz GLYZJWMHBAVGHX-MRXNPFEDSA-N 1 0 335.451 3.734 10 10 EHCERO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1O ZINC000184686401 1032316526 /nfs/dbraw/zinc/31/65/26/1032316526.db2.gz SEJWKAOJPHAQCZ-NSHDSACASA-N 1 0 338.860 3.890 10 10 EHCERO CN1CC[C@H](C[NH2+]Cc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245761094 1029257800 /nfs/dbraw/zinc/25/78/00/1029257800.db2.gz ZLPQVRYTKGPXFK-DNVCBOLYSA-N 1 0 348.849 3.967 10 10 EHCERO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1O ZINC000182093194 1032029143 /nfs/dbraw/zinc/02/91/43/1032029143.db2.gz COGWZZQNTMCTAV-AWEZNQCLSA-N 1 0 333.863 3.542 10 10 EHCERO C[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1cc(O)ccc1O ZINC000038038948 213195338 /nfs/dbraw/zinc/19/53/38/213195338.db2.gz XDQAVDWODUNFNB-SECBINFHSA-N 1 0 340.192 3.850 10 10 EHCERO COc1cc(O)c(C[N@H+]2CC=C(c3cccs3)CC2)cc1OC ZINC000160215755 1030599087 /nfs/dbraw/zinc/59/90/87/1030599087.db2.gz KUUYDBHSDAKUMV-UHFFFAOYSA-N 1 0 331.437 3.760 10 10 EHCERO C[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(O)cc1O ZINC000038038981 213196140 /nfs/dbraw/zinc/19/61/40/213196140.db2.gz KQNOCFDMBGJMGX-VIFPVBQESA-N 1 0 340.192 3.850 10 10 EHCERO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(N(C)C)cc1 ZINC000123801366 1038079291 /nfs/dbraw/zinc/07/92/91/1038079291.db2.gz CAXIXBBCYAVYOZ-APWZRJJASA-N 1 0 343.515 3.584 10 10 EHCERO Cc1cc(C[NH3+])ccc1N(C)Cc1csc(Br)c1 ZINC000042360100 213497084 /nfs/dbraw/zinc/49/70/84/213497084.db2.gz HPZFYQJAYJLJDH-UHFFFAOYSA-N 1 0 325.275 3.914 10 10 EHCERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cc(Br)ccc1O ZINC000248802806 1028951119 /nfs/dbraw/zinc/95/11/19/1028951119.db2.gz JUWZTBLBGBMELE-OWRWGESLSA-N 1 0 340.261 3.763 10 10 EHCERO CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c1O ZINC000245799502 1029315448 /nfs/dbraw/zinc/31/54/48/1029315448.db2.gz XOMOSLRVTQXHCE-SUMWQHHRSA-N 1 0 333.453 3.814 10 10 EHCERO CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccc1O ZINC000156360948 1029823712 /nfs/dbraw/zinc/82/37/12/1029823712.db2.gz YOXWJJWRNXHBCQ-AEFFLSMTSA-N 1 0 330.472 3.614 10 10 EHCERO COc1ccc(O)c(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)c1 ZINC000089726375 1029977038 /nfs/dbraw/zinc/97/70/38/1029977038.db2.gz YWMNQAGANTUUSJ-MRXNPFEDSA-N 1 0 331.387 3.932 10 10 EHCERO COc1cccc(C[NH+]2CCC(Nc3ccccc3F)CC2)c1O ZINC000093607946 1030640843 /nfs/dbraw/zinc/64/08/43/1030640843.db2.gz NVZVXEVVPSHJCF-UHFFFAOYSA-N 1 0 330.403 3.616 10 10 EHCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000185762645 1035528742 /nfs/dbraw/zinc/52/87/42/1035528742.db2.gz ZFMNMEDCQFQYMB-WBVHZDCISA-N 1 0 330.472 3.532 10 10 EHCERO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)c(O)c1 ZINC000185478015 1032402011 /nfs/dbraw/zinc/40/20/11/1032402011.db2.gz RTGVHPNTLMPPJE-MRXNPFEDSA-N 1 0 325.456 3.724 10 10 EHCERO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3cccs3)CC2)c1 ZINC000185692367 1035511013 /nfs/dbraw/zinc/51/10/13/1035511013.db2.gz KOCVOJXFEGIWLG-ZDUSSCGKSA-N 1 0 332.469 3.782 10 10 EHCERO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1cc(O)ccc1O ZINC000038018545 213190492 /nfs/dbraw/zinc/19/04/92/213190492.db2.gz PTLZNAXCVJJEQB-MRVPVSSYSA-N 1 0 328.231 3.773 10 10 EHCERO Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(N(C)C)cc3)CC2)n1 ZINC000128116710 1027398149 /nfs/dbraw/zinc/39/81/49/1027398149.db2.gz WCZJAFLGRQCMJB-QGZVFWFLSA-N 1 0 338.499 3.776 10 10 EHCERO Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(C)cc3O)CC2)nc1 ZINC000185539657 1032440733 /nfs/dbraw/zinc/44/07/33/1032440733.db2.gz FTFZDXFUOIKQAN-MRXNPFEDSA-N 1 0 325.456 3.724 10 10 EHCERO CCOc1cccc(C[NH+]2CCC(c3nc(C)cs3)CC2)c1O ZINC000092787392 1030517294 /nfs/dbraw/zinc/51/72/94/1030517294.db2.gz FCYODDKCXXOSTB-UHFFFAOYSA-N 1 0 332.469 3.935 10 10 EHCERO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)c1 ZINC000185692386 1035514695 /nfs/dbraw/zinc/51/46/95/1035514695.db2.gz KOCVOJXFEGIWLG-CYBMUJFWSA-N 1 0 332.469 3.782 10 10 EHCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)c(O)c1 ZINC000185763468 1035528123 /nfs/dbraw/zinc/52/81/23/1035528123.db2.gz LGLYMBRSSRCZOX-RDJZCZTQSA-N 1 0 330.472 3.532 10 10 EHCERO Cn1cnn(C)c1=[N+]=Nc1c2ccccc2n(C)c1-c1ccccc1 ZINC000111487204 220160636 /nfs/dbraw/zinc/16/06/36/220160636.db2.gz AGBIVDKJDLGDPO-UHFFFAOYSA-N 1 0 331.403 3.819 10 10 EHCERO COc1cc(O)c(C[NH+]2CCC(c3nc(C)cs3)CC2)cc1OC ZINC000160079319 1030526849 /nfs/dbraw/zinc/52/68/49/1030526849.db2.gz YLIJBXZSSFRPJE-UHFFFAOYSA-N 1 0 348.468 3.554 10 10 EHCERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)c2ccc(F)cc2C1 ZINC000184519273 1032290868 /nfs/dbraw/zinc/29/08/68/1032290868.db2.gz LOWCNZTZCWGUJJ-DJJJIMSYSA-N 1 0 342.414 3.675 10 10 EHCERO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000246390341 1028313308 /nfs/dbraw/zinc/31/33/08/1028313308.db2.gz KTUIUIOXJDJXIG-VDZJLULYSA-N 1 0 334.529 3.848 10 10 EHCERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cc(Cl)ccc1O ZINC000248492701 1028916452 /nfs/dbraw/zinc/91/64/52/1028916452.db2.gz JMZAHWSJLVJOPE-RBOXIYTFSA-N 1 0 327.877 3.751 10 10 EHCERO CCOc1cccc(C[NH+]2CCC(OCC3CCCC3)CC2)c1O ZINC000093818306 1030679993 /nfs/dbraw/zinc/67/99/93/1030679993.db2.gz KTCLHHYBUVCJQK-UHFFFAOYSA-N 1 0 333.472 3.962 10 10 EHCERO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185683793 1035511679 /nfs/dbraw/zinc/51/16/79/1035511679.db2.gz UQIFZVHKVSFJLC-BXUZGUMPSA-N 1 0 334.851 3.946 10 10 EHCERO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000246390333 1028313506 /nfs/dbraw/zinc/31/35/06/1028313506.db2.gz KTUIUIOXJDJXIG-IEZWGBDMSA-N 1 0 334.529 3.848 10 10 EHCERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cc(Br)ccc1O ZINC000248521348 1028882157 /nfs/dbraw/zinc/88/21/57/1028882157.db2.gz RLUYLMUXDOAGKA-PVRXDPTQSA-N 1 0 340.261 3.619 10 10 EHCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000185762605 1035528762 /nfs/dbraw/zinc/52/87/62/1035528762.db2.gz ZFMNMEDCQFQYMB-NVXWUHKLSA-N 1 0 330.472 3.532 10 10 EHCERO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc2ccccc2c1O ZINC000192711959 1036542836 /nfs/dbraw/zinc/54/28/36/1036542836.db2.gz SYPIYTRFKPJNES-HNNXBMFYSA-N 1 0 348.450 3.655 10 10 EHCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000248490694 1028918093 /nfs/dbraw/zinc/91/80/93/1028918093.db2.gz IFXJRRRWWKUBBP-FUHIMQAGSA-N 1 0 339.483 3.657 10 10 EHCERO CC[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccc1O ZINC000156361287 1029824006 /nfs/dbraw/zinc/82/40/06/1029824006.db2.gz YOXWJJWRNXHBCQ-FUHWJXTLSA-N 1 0 330.472 3.614 10 10 EHCERO COc1ccc(O)c(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)c1 ZINC000089726374 1029976156 /nfs/dbraw/zinc/97/61/56/1029976156.db2.gz YWMNQAGANTUUSJ-INIZCTEOSA-N 1 0 331.387 3.932 10 10 EHCERO CC[C@H]([NH2+]CC[C@@H]1CCCO1)c1cc(Br)ccc1O ZINC000038095572 213200528 /nfs/dbraw/zinc/20/05/28/213200528.db2.gz NDWQTEXBDCOMBQ-JSGCOSHPSA-N 1 0 328.250 3.765 10 10 EHCERO CC[C@@H]1C[N@H+](Cc2ccc(OC)cc2O)Cc2cc(OC)ccc2O1 ZINC000011871605 211260860 /nfs/dbraw/zinc/26/08/60/211260860.db2.gz GFPDMHXAOFCPMU-MRXNPFEDSA-N 1 0 343.423 3.583 10 10 EHCERO COc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1Cn1ccnc1 ZINC000009740674 211121207 /nfs/dbraw/zinc/12/12/07/211121207.db2.gz BJAYBZCRQREEPE-UHFFFAOYSA-N 1 0 341.842 3.883 10 10 EHCERO Fc1ccc(-c2nc(CC[NH2+]Cc3ccc4c(c3)CCO4)co2)cc1 ZINC000105482310 1024949570 /nfs/dbraw/zinc/94/95/70/1024949570.db2.gz FGKDRSUMXAGUQB-UHFFFAOYSA-N 1 0 338.382 3.748 10 10 EHCERO COc1ccc(O)c(C[NH+]2CCC(Nc3ccccc3F)CC2)c1 ZINC000180399172 1031849975 /nfs/dbraw/zinc/84/99/75/1031849975.db2.gz RMIBHQVALHDWMF-UHFFFAOYSA-N 1 0 330.403 3.616 10 10 EHCERO C[C@H]([NH2+]Cc1ccc(Br)s1)c1cc(O)ccc1O ZINC000038018544 213190455 /nfs/dbraw/zinc/19/04/55/213190455.db2.gz PTLZNAXCVJJEQB-QMMMGPOBSA-N 1 0 328.231 3.773 10 10 EHCERO Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249189475 1028997858 /nfs/dbraw/zinc/99/78/58/1028997858.db2.gz OYEGUGOLFDWZQP-ZVDOUQERSA-N 1 0 339.435 3.628 10 10 EHCERO Cc1cc(N(C)Cc2csc(Br)c2)ccc1C[NH3+] ZINC000050584039 214059881 /nfs/dbraw/zinc/05/98/81/214059881.db2.gz JCHKFLYMUXMTDY-UHFFFAOYSA-N 1 0 325.275 3.914 10 10 EHCERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(Br)ccc1O ZINC000248519561 1028883273 /nfs/dbraw/zinc/88/32/73/1028883273.db2.gz QODYQPKYJQLVPI-JPYFCXBMSA-N 1 0 340.261 3.763 10 10 EHCERO CC[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1cc(Br)ccc1O ZINC000252007575 1029172876 /nfs/dbraw/zinc/17/28/76/1029172876.db2.gz XEOFJYIXQDONER-YYWXWVFPSA-N 1 0 340.261 3.763 10 10 EHCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1O ZINC000175616191 1031355437 /nfs/dbraw/zinc/35/54/37/1031355437.db2.gz WNPGXBVVGHWKDA-LBPRGKRZSA-N 1 0 334.416 3.570 10 10 EHCERO Cc1cc(Cl)cc(C[NH+]2CCC(Cc3nccn3C)CC2)c1O ZINC000180116311 1031801813 /nfs/dbraw/zinc/80/18/13/1031801813.db2.gz YNHZMCRYXSOHPA-UHFFFAOYSA-N 1 0 333.863 3.542 10 10 EHCERO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc2ccccc2c1O ZINC000192711975 1036541448 /nfs/dbraw/zinc/54/14/48/1036541448.db2.gz SYPIYTRFKPJNES-OAHLLOKOSA-N 1 0 348.450 3.655 10 10 EHCERO C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccc(N2CCOCC2)cc1 ZINC000247358745 1040570294 /nfs/dbraw/zinc/57/02/94/1040570294.db2.gz YOOOATPLWGGTCB-YWQVJIEVSA-N 1 0 348.490 3.760 10 10 EHCERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cc2c(cc1O)CCCC2 ZINC000248517162 1028883822 /nfs/dbraw/zinc/88/38/22/1028883822.db2.gz PDXUQGIFXYPHJI-NQYLQCIDSA-N 1 0 347.524 3.976 10 10 EHCERO COc1ccc(-c2c(C)c3cc(O)c(C[NH+](C)C)cc3oc2=O)cc1 ZINC000094993476 218271426 /nfs/dbraw/zinc/27/14/26/218271426.db2.gz NSLHOADQKZYXSV-UHFFFAOYSA-N 1 0 339.391 3.544 10 10 EHCERO Clc1c(Cl)c(N2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000095093037 218279888 /nfs/dbraw/zinc/27/98/88/218279888.db2.gz BMDYZNHOCRFOSK-UHFFFAOYSA-N 1 0 337.250 3.982 10 10 EHCERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(Br)cc1O ZINC000248523529 1028882455 /nfs/dbraw/zinc/88/24/55/1028882455.db2.gz SQGPVGKSBQHROI-ZEQHWRKHSA-N 1 0 340.261 3.619 10 10 EHCERO C[NH2+]Cc1ccc(N(C)Cc2csc(Br)c2)cc1 ZINC000042363080 213498845 /nfs/dbraw/zinc/49/88/45/213498845.db2.gz ULJXQDJZDIMMKR-UHFFFAOYSA-N 1 0 325.275 3.866 10 10 EHCERO