smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1O ZINC000104443156 186004260 /nfs/dbraw/zinc/00/42/60/186004260.db2.gz CSUZRHCHMPYBSB-VXGBXAGGSA-N 1 0 265.397 3.876 10 10 CHCERO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1cc(O)ccc1O ZINC000020147919 171034916 /nfs/dbraw/zinc/03/49/16/171034916.db2.gz ZWAOEUCBPPHNFR-WDEREUQCSA-N 1 0 275.323 3.649 10 10 CHCERO C[C@@H]([NH2+]Cc1ccc(O)c(O)c1)c1ccc(Cl)s1 ZINC000035253648 172083121 /nfs/dbraw/zinc/08/31/21/172083121.db2.gz UQKBBSPBSZCOML-MRVPVSSYSA-N 1 0 283.780 3.664 10 10 CHCERO CC[NH2+][C@H](C)c1ccc(N(C)C[C@@H](C)CC)c(F)c1 ZINC000037173501 173007799 /nfs/dbraw/zinc/00/77/99/173007799.db2.gz VRFZDCFLVLCNNG-QWHCGFSZSA-N 1 0 266.404 3.979 10 10 CHCERO C[NH2+][C@@H](C)c1ccc(N(CC(F)(F)F)C(C)C)cc1 ZINC000042769826 174870618 /nfs/dbraw/zinc/87/06/18/174870618.db2.gz JGJZEYBDNFHYNK-NSHDSACASA-N 1 0 274.330 3.744 10 10 CHCERO COc1ccc(C[NH2+][C@H]2CCOc3ccccc32)cc1C ZINC000035052672 260006402 /nfs/dbraw/zinc/00/64/02/260006402.db2.gz MNTZCOOKARSQAT-INIZCTEOSA-N 1 0 283.371 3.617 10 10 CHCERO C[C@H]([NH2+]Cc1ccc2c(c1)CCN2C)c1ccsc1 ZINC000061361743 262396429 /nfs/dbraw/zinc/39/64/29/262396429.db2.gz HYNKKTSSIHTQHB-LBPRGKRZSA-N 1 0 272.417 3.591 10 10 CHCERO CC[C@@H](C)N(C)c1ccc(C[NH2+]CC(C)C)cc1F ZINC000062735355 522067191 /nfs/dbraw/zinc/06/71/91/522067191.db2.gz UIBRCUVIRSJQSI-CYBMUJFWSA-N 1 0 266.404 3.806 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N2CC[C@H](C)C[C@H]2C)c(Cl)c1 ZINC000061698162 525027946 /nfs/dbraw/zinc/02/79/46/525027946.db2.gz XZPSDZSARXNBIP-QJPTWQEYSA-N 1 0 266.816 3.985 10 10 CHCERO Cc1cc(N2CCC[C@H](C)C2)ccc1C[NH2+]C(C)C ZINC000050581130 525071903 /nfs/dbraw/zinc/07/19/03/525071903.db2.gz VOVMRHNJKIPVLV-AWEZNQCLSA-N 1 0 260.425 3.729 10 10 CHCERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1O ZINC000037074397 525688738 /nfs/dbraw/zinc/68/87/38/525688738.db2.gz WNNCNQGTSYYWAA-DOMZBBRYSA-N 1 0 269.344 3.567 10 10 CHCERO [NH3+]Cc1ccc(N2CC[C@H]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000062792945 527256636 /nfs/dbraw/zinc/25/66/36/527256636.db2.gz COQYJVXNUOWQDJ-ZIAGYGMSSA-N 1 0 278.827 3.815 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000058826244 567217438 /nfs/dbraw/zinc/21/74/38/567217438.db2.gz UJXVWWBICGDKGY-WDEREUQCSA-N 1 0 252.789 3.596 10 10 CHCERO C[C@H]([NH3+])c1ccc(N2CCCC[C@H]2C)c(Cl)c1 ZINC000103962473 567218884 /nfs/dbraw/zinc/21/88/84/567218884.db2.gz FNOKOPBZRZBKDL-MNOVXSKESA-N 1 0 252.789 3.739 10 10 CHCERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1 ZINC000193002798 1123869271 /nfs/dbraw/zinc/86/92/71/1123869271.db2.gz ZCZILMSRDJXKIZ-KSSFIOAISA-N 1 0 296.414 3.927 10 10 CHCERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000008701702 170347099 /nfs/dbraw/zinc/34/70/99/170347099.db2.gz IEZVUZMFJTVTHC-CPUCHLNUSA-N 1 0 260.425 3.667 10 10 CHCERO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000020122927 171003196 /nfs/dbraw/zinc/00/31/96/171003196.db2.gz AQUWLTQOCMPKIZ-RYUDHWBXSA-N 1 0 251.370 3.573 10 10 CHCERO C[C@@H]([NH2+][C@H](C)c1ccc(O)cc1O)c1cccc(F)c1 ZINC000020147886 171035450 /nfs/dbraw/zinc/03/54/50/171035450.db2.gz KTXNBKYBSHOKSW-GHMZBOCLSA-N 1 0 275.323 3.649 10 10 CHCERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2)c(O)c1 ZINC000020148081 171036008 /nfs/dbraw/zinc/03/60/08/171036008.db2.gz DAYURFHRUISXGN-NWDGAFQWSA-N 1 0 289.350 3.952 10 10 CHCERO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)[C@@H]1CCCO1 ZINC000020206527 171071211 /nfs/dbraw/zinc/07/12/11/171071211.db2.gz IYXWHRKYNRBXCJ-AHIWAGSCSA-N 1 0 285.387 3.764 10 10 CHCERO CCN(c1ccc(C[NH2+]C(C)C)cc1F)C(C)C ZINC000034824706 171878557 /nfs/dbraw/zinc/87/85/57/171878557.db2.gz WUOUSIWKGUTSHE-UHFFFAOYSA-N 1 0 252.377 3.558 10 10 CHCERO CC[NH2+][C@H](C)c1ccc(N(C)CC(C)C)c(F)c1 ZINC000034841517 171885472 /nfs/dbraw/zinc/88/54/72/171885472.db2.gz GHDKEVIKQSCHMW-GFCCVEGCSA-N 1 0 252.377 3.588 10 10 CHCERO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000037362830 173151429 /nfs/dbraw/zinc/15/14/29/173151429.db2.gz JABCFIXOUMMHKH-AWEZNQCLSA-N 1 0 267.372 3.515 10 10 CHCERO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(F)cc2)c1 ZINC000071406322 176155753 /nfs/dbraw/zinc/15/57/53/176155753.db2.gz KPWQLWVWXRLWFJ-GFCCVEGCSA-N 1 0 259.324 3.691 10 10 CHCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000192795090 534204847 /nfs/dbraw/zinc/20/48/47/534204847.db2.gz FOJWTHKBAWQNTC-BLLLJJGKSA-N 1 0 299.370 3.575 10 10 CHCERO C[NH2+][C@@H](C)c1ccc(N(C)C2CCCC2)c(Cl)c1 ZINC000061694813 522332504 /nfs/dbraw/zinc/33/25/04/522332504.db2.gz XGTWVUVMVZTJII-NSHDSACASA-N 1 0 266.816 3.999 10 10 CHCERO CC[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccccc1O ZINC000192926498 522943162 /nfs/dbraw/zinc/94/31/62/522943162.db2.gz VKDZNBPYYQWKOZ-QZTJIDSGSA-N 1 0 298.430 3.736 10 10 CHCERO CC[C@@H]1CCCN1c1ccc([C@@H](C)[NH2+]C)cc1Cl ZINC000061696020 523271758 /nfs/dbraw/zinc/27/17/58/523271758.db2.gz IXUYOAQUBXBWAJ-DGCLKSJQSA-N 1 0 266.816 3.999 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N(C)Cc2ccc(Cl)cc2)cc1 ZINC000048880316 525026805 /nfs/dbraw/zinc/02/68/05/525026805.db2.gz FQIZHZVPZKQHMI-GFCCVEGCSA-N 1 0 274.795 3.996 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N2CCC[C@H](C)[C@H]2C)c(Cl)c1 ZINC000061698134 525026970 /nfs/dbraw/zinc/02/69/70/525026970.db2.gz PXYABYPOUBUKPE-QJPTWQEYSA-N 1 0 266.816 3.985 10 10 CHCERO Cc1cc(N(C)[C@@H](C)C(C)C)ccc1C[NH2+]C(C)C ZINC000050582307 525028532 /nfs/dbraw/zinc/02/85/32/525028532.db2.gz SGWLRFNXOIWVTI-HNNXBMFYSA-N 1 0 262.441 3.974 10 10 CHCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)c(O)c1 ZINC000037074229 525945190 /nfs/dbraw/zinc/94/51/90/525945190.db2.gz JGEOLGOSKXFSCB-BBRMVZONSA-N 1 0 283.371 3.875 10 10 CHCERO C[C@H]([NH3+])c1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000103965724 136525418 /nfs/dbraw/zinc/52/54/18/136525418.db2.gz UJXVWWBICGDKGY-MNOVXSKESA-N 1 0 252.789 3.596 10 10 CHCERO CC[C@@H]([NH3+])Cc1ccccc1Sc1nccs1 ZINC000104434762 186001552 /nfs/dbraw/zinc/00/15/52/186001552.db2.gz PRJDUFPRIHEEKO-LLVKDONJSA-N 1 0 264.419 3.574 10 10 CHCERO CCCC(=O)Nc1ccc(O)c([C@@H](C)[NH2+]C(CC)CC)c1 ZINC000019884001 170908646 /nfs/dbraw/zinc/90/86/46/170908646.db2.gz STWWBISUPDESMG-GFCCVEGCSA-N 1 0 292.423 3.970 10 10 CHCERO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccc(O)cc1O ZINC000020122922 171003357 /nfs/dbraw/zinc/00/33/57/171003357.db2.gz ODKQEBXHAYFGHG-VXGBXAGGSA-N 1 0 251.370 3.573 10 10 CHCERO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc(O)cc1O ZINC000020147887 171035620 /nfs/dbraw/zinc/03/56/20/171035620.db2.gz KTXNBKYBSHOKSW-WDEREUQCSA-N 1 0 275.323 3.649 10 10 CHCERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035256800 172087623 /nfs/dbraw/zinc/08/76/23/172087623.db2.gz UQPMBDVUSXKESL-RDJZCZTQSA-N 1 0 260.425 3.811 10 10 CHCERO C[NH2+][C@H](C)c1ccc(N(C)Cc2ccsc2)c(F)c1 ZINC000035719358 172374479 /nfs/dbraw/zinc/37/44/79/172374479.db2.gz VPOJTCCWKPVQEJ-LLVKDONJSA-N 1 0 278.396 3.804 10 10 CHCERO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)c(O)c1 ZINC000037253719 173064275 /nfs/dbraw/zinc/06/42/75/173064275.db2.gz MIDDKLNDIWFWGN-AGIUHOORSA-N 1 0 263.381 3.630 10 10 CHCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)o1 ZINC000296141633 224621304 /nfs/dbraw/zinc/62/13/04/224621304.db2.gz WGTVBHHJWVZRKR-WCQYABFASA-N 1 0 257.333 3.632 10 10 CHCERO CCCC1CCN(c2ccc([C@@H](C)[NH2+]C)cc2)CC1 ZINC000050893928 519904296 /nfs/dbraw/zinc/90/42/96/519904296.db2.gz CQJUECKOXKGWAD-CQSZACIVSA-N 1 0 260.425 3.984 10 10 CHCERO CCOc1cccc(C[NH2+][C@H](C)c2ccc(C)o2)c1O ZINC000036960267 521373427 /nfs/dbraw/zinc/37/34/27/521373427.db2.gz VOAUNWHSSUQUBU-GFCCVEGCSA-N 1 0 275.348 3.543 10 10 CHCERO CC[C@H]([NH2+]Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC000052335171 522648409 /nfs/dbraw/zinc/64/84/09/522648409.db2.gz ANICQEQQLQHTFN-AWEZNQCLSA-N 1 0 263.381 3.546 10 10 CHCERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)c(O)c1 ZINC000037074226 525744206 /nfs/dbraw/zinc/74/42/06/525744206.db2.gz JGEOLGOSKXFSCB-CZUORRHYSA-N 1 0 283.371 3.875 10 10 CHCERO C[NH2+][C@H](C)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c(F)c1 ZINC000034839821 536406627 /nfs/dbraw/zinc/40/66/27/536406627.db2.gz JIQZVDAUWCXUQJ-JHJVBQTASA-N 1 0 264.388 3.588 10 10 CHCERO C[C@H]([NH3+])c1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000058826251 567217313 /nfs/dbraw/zinc/21/73/13/567217313.db2.gz YRRGFDRZLPZQRH-NSHDSACASA-N 1 0 252.789 3.596 10 10 CHCERO CC[C@H]([NH2+]C(C)C)c1cc(Br)ccc1O ZINC000019880730 170908003 /nfs/dbraw/zinc/90/80/03/170908003.db2.gz LBLMPGFRCCKRCS-NSHDSACASA-N 1 0 272.186 3.604 10 10 CHCERO C[C@@H]([NH2+]Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000020121891 171000906 /nfs/dbraw/zinc/00/09/06/171000906.db2.gz QIKBATWFULERRB-SNVBAGLBSA-N 1 0 277.751 3.602 10 10 CHCERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccncc2)c(O)c1 ZINC000020121765 171001130 /nfs/dbraw/zinc/00/11/30/171001130.db2.gz LVGQPXJFEPVEPH-CHWSQXEVSA-N 1 0 256.349 3.507 10 10 CHCERO C[C@@H]([NH2+]Cc1ccc(O)cc1O)c1ccc(Cl)cc1 ZINC000020121901 171002121 /nfs/dbraw/zinc/00/21/21/171002121.db2.gz QLYPDVQRMYZTCX-SNVBAGLBSA-N 1 0 277.751 3.602 10 10 CHCERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035256802 172087508 /nfs/dbraw/zinc/08/75/08/172087508.db2.gz UQPMBDVUSXKESL-DOTOQJQBSA-N 1 0 260.425 3.811 10 10 CHCERO CC[NH2+]Cc1ccc(N(C)[C@@H](C)CC(C)C)c(C)c1 ZINC000050562070 519997987 /nfs/dbraw/zinc/99/79/87/519997987.db2.gz WJSXMJCWTNYIJG-HNNXBMFYSA-N 1 0 262.441 3.975 10 10 CHCERO CCCOc1ccc(N2CC[C@@H](C[NH2+]CC(C)C)C2)cc1 ZINC000053035071 520385304 /nfs/dbraw/zinc/38/53/04/520385304.db2.gz ROHKZJBOBXEPBF-INIZCTEOSA-N 1 0 290.451 3.547 10 10 CHCERO CCCN(c1ccc([C@@H](C)[NH3+])cc1Cl)C(C)C ZINC000061694838 521697138 /nfs/dbraw/zinc/69/71/38/521697138.db2.gz PXYZJVVUKTXIEG-LLVKDONJSA-N 1 0 254.805 3.985 10 10 CHCERO Cc1cc(C[NH2+]C(C)C)ccc1N1CCCC[C@@H]1C ZINC000050559727 524751648 /nfs/dbraw/zinc/75/16/48/524751648.db2.gz BHHKTPBGDRGHBP-HNNXBMFYSA-N 1 0 260.425 3.872 10 10 CHCERO C[C@H]([NH3+])c1ccc(N2CC[C@H](C)C[C@H]2C)c(Cl)c1 ZINC000103954460 136524914 /nfs/dbraw/zinc/52/49/14/136524914.db2.gz XZPSDZSARXNBIP-TUAOUCFPSA-N 1 0 266.816 3.985 10 10 CHCERO CCC(CC)[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1O ZINC000104443158 186004020 /nfs/dbraw/zinc/00/40/20/186004020.db2.gz CSUZRHCHMPYBSB-NWDGAFQWSA-N 1 0 265.397 3.876 10 10 CHCERO CCC[NH2+]Cc1ccc(N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000034824019 134781960 /nfs/dbraw/zinc/78/19/60/134781960.db2.gz ZUXJNCMQYVNCHU-GASCZTMLSA-N 1 0 260.425 3.669 10 10 CHCERO CN(C)c1ccc([C@@H]([NH3+])c2cccc3ccccc32)cc1 ZINC000011737489 170437733 /nfs/dbraw/zinc/43/77/33/170437733.db2.gz OKPVOKJNJJHCCS-LJQANCHMSA-N 1 0 276.383 3.954 10 10 CHCERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccncc2)c(O)c1 ZINC000020121767 171001067 /nfs/dbraw/zinc/00/10/67/171001067.db2.gz LVGQPXJFEPVEPH-QWHCGFSZSA-N 1 0 256.349 3.507 10 10 CHCERO CC[C@@H](C)N(C)c1ccc(C[NH2+]C(C)C)cc1F ZINC000034825020 171880080 /nfs/dbraw/zinc/88/00/80/171880080.db2.gz PYXRYBRAWHLOBA-GFCCVEGCSA-N 1 0 252.377 3.558 10 10 CHCERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)c(O)c1 ZINC000037253723 173064264 /nfs/dbraw/zinc/06/42/64/173064264.db2.gz MIDDKLNDIWFWGN-FRRDWIJNSA-N 1 0 263.381 3.630 10 10 CHCERO CC[C@@H]([NH3+])[C@@H](Sc1nccs1)c1cccc(OC)c1 ZINC000043033021 174949108 /nfs/dbraw/zinc/94/91/08/174949108.db2.gz LSXBJFVTGZRZSZ-OLZOCXBDSA-N 1 0 294.445 3.722 10 10 CHCERO [O-]c1c(F)cccc1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000165015982 331305556 /nfs/dbraw/zinc/30/55/56/331305556.db2.gz WZZIGRZACNFNGQ-GHMZBOCLSA-N 1 0 291.288 3.742 10 10 CHCERO Cc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2[O-])c(C)c1 ZINC000165022214 331305631 /nfs/dbraw/zinc/30/56/31/331305631.db2.gz YLTBGFGOYXNXHV-ZDUSSCGKSA-N 1 0 273.351 3.999 10 10 CHCERO CCN(CC(C)C)c1ccc(C[NH2+]C(C)C)cc1C ZINC000050560193 520415134 /nfs/dbraw/zinc/41/51/34/520415134.db2.gz ZIYOTCHWFPQZCQ-UHFFFAOYSA-N 1 0 262.441 3.975 10 10 CHCERO CC(C)CN(C)c1c(F)cc(C[NH2+]C(C)C)cc1F ZINC000062710317 519709320 /nfs/dbraw/zinc/70/93/20/519709320.db2.gz HQTIZBVXHXVORE-UHFFFAOYSA-N 1 0 270.367 3.555 10 10 CHCERO CC[NH2+]Cc1ccc(N2CCC[C@H](CC)C2)cc1C ZINC000050582369 519997514 /nfs/dbraw/zinc/99/75/14/519997514.db2.gz FWCFPPYFNLHYCN-HNNXBMFYSA-N 1 0 260.425 3.731 10 10 CHCERO CCCN(C)c1ccc(C[NH2+]C(C)(C)C)cc1F ZINC000062735327 521519647 /nfs/dbraw/zinc/51/96/47/521519647.db2.gz QCKHMZYMPZTSIM-UHFFFAOYSA-N 1 0 252.377 3.560 10 10 CHCERO Cc1cc(C[NH2+]C(C)(C)C)ccc1N(C)CC(C)C ZINC000050560171 524751403 /nfs/dbraw/zinc/75/14/03/524751403.db2.gz RTZMYHOQYHKTIZ-UHFFFAOYSA-N 1 0 262.441 3.975 10 10 CHCERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccsc2)c(O)c1 ZINC000061360948 525162881 /nfs/dbraw/zinc/16/28/81/525162881.db2.gz MVFDBPCCRVNCGC-GHMZBOCLSA-N 1 0 277.389 3.874 10 10 CHCERO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000127715779 525343722 /nfs/dbraw/zinc/34/37/22/525343722.db2.gz GZCXHTKCSBQYTF-CQSZACIVSA-N 1 0 288.416 3.884 10 10 CHCERO C[C@@H]([NH3+])Cc1c(Cl)cccc1Sc1nccs1 ZINC000104434753 186000990 /nfs/dbraw/zinc/00/09/90/186000990.db2.gz LHIIMZIVOGILTO-MRVPVSSYSA-N 1 0 284.837 3.837 10 10 CHCERO CC[n+]1ccccc1/C=C1\C=Cc2ccc(C)cc2N1C ZINC000003656550 134644171 /nfs/dbraw/zinc/64/41/71/134644171.db2.gz HSZCAGNXGDMZTM-UHFFFAOYSA-N 1 0 277.391 3.807 10 10 CHCERO Oc1ccc2ccccc2c1C[NH2+]Cc1ccc(F)cc1 ZINC000019943534 170935175 /nfs/dbraw/zinc/93/51/75/170935175.db2.gz YUQQHEAEXDTFPK-UHFFFAOYSA-N 1 0 281.330 3.974 10 10 CHCERO CC[C@@H]([NH2+][C@H](C)c1ccncc1)c1ccccc1O ZINC000020121428 171000390 /nfs/dbraw/zinc/00/03/90/171000390.db2.gz AVLXJFPNHIQPPF-IUODEOHRSA-N 1 0 256.349 3.589 10 10 CHCERO CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2C)c1O ZINC000020126188 171010448 /nfs/dbraw/zinc/01/04/48/171010448.db2.gz ONBGJLHBUJRTMT-AWEZNQCLSA-N 1 0 285.387 3.950 10 10 CHCERO C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000021011768 171287228 /nfs/dbraw/zinc/28/72/28/171287228.db2.gz WWPXUFKHIJCUJJ-VMZNBEPHSA-N 1 0 260.425 3.667 10 10 CHCERO CC[C@@H](C)N(CC)c1ccc([C@@H](C)[NH2+]C)cc1F ZINC000034666927 171855211 /nfs/dbraw/zinc/85/52/11/171855211.db2.gz ZQGZHCAYGLKACM-VXGBXAGGSA-N 1 0 252.377 3.731 10 10 CHCERO CC[C@@H](c1ccccc1O)[N@@H+]1CCCC[C@@H](COC)C1 ZINC000377630558 329021972 /nfs/dbraw/zinc/02/19/72/329021972.db2.gz UWSVAWXCPXSZPK-ZBFHGGJFSA-N 1 0 277.408 3.592 10 10 CHCERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cc(Cl)ccc1O ZINC000248495004 329894607 /nfs/dbraw/zinc/89/46/07/329894607.db2.gz KQRHFUGRCSJOEH-YZENIEGJSA-N 1 0 295.810 3.510 10 10 CHCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2n2cccn2)c(O)c1 ZINC000248491463 329894740 /nfs/dbraw/zinc/89/47/40/329894740.db2.gz ISPBDSKRSTUGBN-BHYGNILZSA-N 1 0 299.418 3.732 10 10 CHCERO C[NH2+]Cc1cc(F)c(N(C)[C@@H](C)CC(C)C)c(F)c1 ZINC000062713399 522112575 /nfs/dbraw/zinc/11/25/75/522112575.db2.gz LZOASKYIOPILIU-NSHDSACASA-N 1 0 270.367 3.555 10 10 CHCERO CCC[NH2+]Cc1cc(F)c(N(C)[C@@H](C)CC)c(F)c1 ZINC000062710344 519949008 /nfs/dbraw/zinc/94/90/08/519949008.db2.gz TVFVZNYXOPMKKJ-NSHDSACASA-N 1 0 270.367 3.699 10 10 CHCERO CC[C@@H]1CCCN(c2ccc([C@@H](C)[NH3+])cc2Cl)C1 ZINC000061695458 523256007 /nfs/dbraw/zinc/25/60/07/523256007.db2.gz KERYFNXMVZBZMY-VXGBXAGGSA-N 1 0 266.816 3.986 10 10 CHCERO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000071407303 525351470 /nfs/dbraw/zinc/35/14/70/525351470.db2.gz RHFLPIYJTDHHOE-NSHDSACASA-N 1 0 277.314 3.830 10 10 CHCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000037074422 525362737 /nfs/dbraw/zinc/36/27/37/525362737.db2.gz FXGLZUSGAPOXRT-CZUORRHYSA-N 1 0 283.371 3.875 10 10 CHCERO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1cc(O)ccc1O ZINC000052332668 525592715 /nfs/dbraw/zinc/59/27/15/525592715.db2.gz VSKPJNYHMVZOGF-NWDGAFQWSA-N 1 0 263.381 3.717 10 10 CHCERO C[C@H]([NH2+]Cc1ccco1)c1ccc(N2CCCC2)c(F)c1 ZINC000020550929 570408404 /nfs/dbraw/zinc/40/84/04/570408404.db2.gz QUEUZDSQYGJINY-ZDUSSCGKSA-N 1 0 288.366 3.870 10 10 CHCERO CCC[NH2+]Cc1ccc(N(C)C[C@H](C)CC)c(C)c1 ZINC000104166620 185915273 /nfs/dbraw/zinc/91/52/73/185915273.db2.gz CXNLFKXCVNTIKF-CQSZACIVSA-N 1 0 262.441 3.977 10 10 CHCERO C[NH2+]Cc1ccc(N2CCc3sccc3[C@H]2C)cc1 ZINC000042777679 134896819 /nfs/dbraw/zinc/89/68/19/134896819.db2.gz ZXVSHOYJGKPHGD-GFCCVEGCSA-N 1 0 272.417 3.591 10 10 CHCERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(O)cc1O ZINC000020126211 171010569 /nfs/dbraw/zinc/01/05/69/171010569.db2.gz LXVLOVUMZANBOZ-QWHCGFSZSA-N 1 0 271.360 3.818 10 10 CHCERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2)c(O)c1 ZINC000020148082 171035863 /nfs/dbraw/zinc/03/58/63/171035863.db2.gz DAYURFHRUISXGN-RYUDHWBXSA-N 1 0 289.350 3.952 10 10 CHCERO C[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1O)c1cccs1 ZINC000020148306 171036109 /nfs/dbraw/zinc/03/61/09/171036109.db2.gz OKKFALFLCROQTR-VHSXEESVSA-N 1 0 263.362 3.571 10 10 CHCERO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccs1 ZINC000020148385 171036203 /nfs/dbraw/zinc/03/62/03/171036203.db2.gz ISUJSCOHGTYEHO-VIFPVBQESA-N 1 0 267.781 3.958 10 10 CHCERO COc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)c(O)c1 ZINC000040906493 174430986 /nfs/dbraw/zinc/43/09/86/174430986.db2.gz CBXLTNPMVRSWST-UHFFFAOYSA-N 1 0 265.397 3.705 10 10 CHCERO COc1ccc(C[NH2+][C@@H]2CCOc3ccccc32)cc1C ZINC000035052671 260006374 /nfs/dbraw/zinc/00/63/74/260006374.db2.gz MNTZCOOKARSQAT-MRXNPFEDSA-N 1 0 283.371 3.617 10 10 CHCERO CC[C@H]([NH2+][C@H]1COc2ccccc21)c1ccccc1O ZINC000070529259 326917680 /nfs/dbraw/zinc/91/76/80/326917680.db2.gz LKWSDUBYKRBHNL-GJZGRUSLSA-N 1 0 269.344 3.567 10 10 CHCERO Cc1csc(C2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC000179568381 329209826 /nfs/dbraw/zinc/20/98/26/329209826.db2.gz CSHATSHPGYRVJR-UHFFFAOYSA-N 1 0 288.416 3.537 10 10 CHCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000192795096 534203953 /nfs/dbraw/zinc/20/39/53/534203953.db2.gz FOJWTHKBAWQNTC-MLGOLLRUSA-N 1 0 299.370 3.575 10 10 CHCERO CC(C)[C@@H](C)N(C)c1ccc([C@@H](C)[NH3+])cc1Br ZINC000061695370 519791303 /nfs/dbraw/zinc/79/13/03/519791303.db2.gz ASNBAQIBXNHQHV-GHMZBOCLSA-N 1 0 299.256 3.950 10 10 CHCERO CCC[NH2+][C@@H](C)c1ccc(N(C)CC)c(Br)c1 ZINC000061694729 519988389 /nfs/dbraw/zinc/98/83/89/519988389.db2.gz CCRFCXNYSVPAAW-NSHDSACASA-N 1 0 299.256 3.966 10 10 CHCERO CC[NH2+]Cc1ccc(N(CC(C)C)C2CC2)cc1C ZINC000050584385 519997591 /nfs/dbraw/zinc/99/75/91/519997591.db2.gz NVYHGYBDLXROPD-UHFFFAOYSA-N 1 0 260.425 3.729 10 10 CHCERO CC[NH2+]Cc1ccc(N(CC(C)C)C(C)C)cc1C ZINC000050584420 519998492 /nfs/dbraw/zinc/99/84/92/519998492.db2.gz SOUDGHLDSZHAQV-UHFFFAOYSA-N 1 0 262.441 3.975 10 10 CHCERO Cc1cc(N(C)CC(C)(C)C)ccc1C[NH2+]C(C)C ZINC000050584747 525027578 /nfs/dbraw/zinc/02/75/78/525027578.db2.gz UDRCYOYDYUAOCU-UHFFFAOYSA-N 1 0 262.441 3.975 10 10 CHCERO C[C@H](c1ccccc1Cl)N(C)c1ccc(C[NH3+])cc1 ZINC000062012076 526111979 /nfs/dbraw/zinc/11/19/79/526111979.db2.gz BHKCOSGIIABEEC-GFCCVEGCSA-N 1 0 274.795 3.996 10 10 CHCERO C[C@H]1CCCC[C@@H]1N(C)c1ccc(C[NH3+])cc1Cl ZINC000062793092 526255595 /nfs/dbraw/zinc/25/55/95/526255595.db2.gz RIKFKIMPASHVHA-FZMZJTMJSA-N 1 0 266.816 3.814 10 10 CHCERO CC[C@@H](C)[N@H+](Cc1ccncc1)Cc1cccc(C)c1O ZINC000055120152 570240921 /nfs/dbraw/zinc/24/09/21/570240921.db2.gz YKXBHTVTKBKMBX-OAHLLOKOSA-N 1 0 284.403 3.896 10 10 CHCERO C[C@@H]([NH2+]C1CC1)c1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000020569967 570408288 /nfs/dbraw/zinc/40/82/88/570408288.db2.gz WEXRXUMXZRZOCT-CHWSQXEVSA-N 1 0 276.399 3.875 10 10 CHCERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1 ZINC000193002787 1123868948 /nfs/dbraw/zinc/86/89/48/1123868948.db2.gz ZCZILMSRDJXKIZ-RDTXWAMCSA-N 1 0 296.414 3.927 10 10 CHCERO Cc1cc(Sc2nccs2)ccc1C[NH2+]C1CC1 ZINC000104289827 185956418 /nfs/dbraw/zinc/95/64/18/185956418.db2.gz JKSUJASJUMWFBS-UHFFFAOYSA-N 1 0 276.430 3.855 10 10 CHCERO [NH3+]Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1O ZINC000040406556 174254075 /nfs/dbraw/zinc/25/40/75/174254075.db2.gz AVPAYZANVNXCCK-UHFFFAOYSA-N 1 0 299.761 3.796 10 10 CHCERO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)c1ccc(O)cc1O ZINC000042856504 174891959 /nfs/dbraw/zinc/89/19/59/174891959.db2.gz AUWNQZAXWYPGJU-RWMBFGLXSA-N 1 0 263.381 3.575 10 10 CHCERO CC[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1O ZINC000037074303 260066939 /nfs/dbraw/zinc/06/69/39/260066939.db2.gz MJGASHKWFQUKEQ-CVEARBPZSA-N 1 0 283.371 3.957 10 10 CHCERO C[C@@H]([NH2+]Cc1ccc2c(c1)CCN2C)c1ccsc1 ZINC000061361744 262396471 /nfs/dbraw/zinc/39/64/71/262396471.db2.gz HYNKKTSSIHTQHB-GFCCVEGCSA-N 1 0 272.417 3.591 10 10 CHCERO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc2ccccc2c1O ZINC000251940275 329936955 /nfs/dbraw/zinc/93/69/55/329936955.db2.gz UPKDKLZLLUWRCC-BIMQEMHKSA-N 1 0 297.398 3.764 10 10 CHCERO CC[NH2+]Cc1ccc(N(C)[C@H](C)CC(C)C)c(C)c1 ZINC000050562072 519998387 /nfs/dbraw/zinc/99/83/87/519998387.db2.gz WJSXMJCWTNYIJG-OAHLLOKOSA-N 1 0 262.441 3.975 10 10 CHCERO CC(C)C[NH2+]Cc1ccc(N(C)CC2CCC2)cc1 ZINC000062738222 519747201 /nfs/dbraw/zinc/74/72/01/519747201.db2.gz BSCNKSGIYHNMIR-UHFFFAOYSA-N 1 0 260.425 3.669 10 10 CHCERO CCC[NH2+]Cc1ccc(N(CCC)C2CC2)cc1C ZINC000050581852 519950175 /nfs/dbraw/zinc/95/01/75/519950175.db2.gz IKJAJCXCQGYOQP-UHFFFAOYSA-N 1 0 260.425 3.873 10 10 CHCERO CC[NH2+]Cc1ccc(N2CCC[C@@H](CC)C2)cc1C ZINC000050582367 519997614 /nfs/dbraw/zinc/99/76/14/519997614.db2.gz FWCFPPYFNLHYCN-OAHLLOKOSA-N 1 0 260.425 3.731 10 10 CHCERO CC[C@H]([NH2+]CC1C[C@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000281479033 522575587 /nfs/dbraw/zinc/57/55/87/522575587.db2.gz FSHWAGSTPWZRIO-XEZPLFJOSA-N 1 0 277.408 3.637 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N2CCCC2(C)C)c(Cl)c1 ZINC000063067496 525026651 /nfs/dbraw/zinc/02/66/51/525026651.db2.gz XMWBGKRHQOIQET-SNVBAGLBSA-N 1 0 252.789 3.739 10 10 CHCERO Cc1cc(N(C)C2CCCC2)ccc1C[NH2+]C1CC1 ZINC000050581809 525027163 /nfs/dbraw/zinc/02/71/63/525027163.db2.gz HEDXKURLYIPFPL-UHFFFAOYSA-N 1 0 258.409 3.626 10 10 CHCERO CC[C@H]([NH3+])Cc1ccccc1Sc1nccs1 ZINC000104434758 186000932 /nfs/dbraw/zinc/00/09/32/186000932.db2.gz PRJDUFPRIHEEKO-NSHDSACASA-N 1 0 264.419 3.574 10 10 CHCERO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]Cc1ccccc1O)C2 ZINC000004977844 170048018 /nfs/dbraw/zinc/04/80/18/170048018.db2.gz AVTKPBRAYCSVAB-UNEWFSDZSA-N 1 0 259.393 3.697 10 10 CHCERO CCCC(=O)Nc1ccc(O)c([C@H](C)[NH2+][C@H](C)CC)c1 ZINC000019882642 170908026 /nfs/dbraw/zinc/90/80/26/170908026.db2.gz LIKANVBNBJEYOQ-NEPJUHHUSA-N 1 0 278.396 3.580 10 10 CHCERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1cc(O)ccc1O ZINC000020126239 171010358 /nfs/dbraw/zinc/01/03/58/171010358.db2.gz OZHFCYNBPCBDAF-QWHCGFSZSA-N 1 0 271.360 3.818 10 10 CHCERO C[C@H]([NH2+][C@@H](C)c1cc(O)ccc1O)c1cccs1 ZINC000020148359 171035993 /nfs/dbraw/zinc/03/59/93/171035993.db2.gz FHSJLEWONJCPQX-UWVGGRQHSA-N 1 0 263.362 3.571 10 10 CHCERO [NH3+][C@H](c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1O ZINC000032098981 171696461 /nfs/dbraw/zinc/69/64/61/171696461.db2.gz JDSGKWNUQQREKT-MRXNPFEDSA-N 1 0 294.310 3.502 10 10 CHCERO CC[NH2+][C@@H](C)c1ccc(N(C)[C@@H](C)C(C)C)c(F)c1 ZINC000036787511 172704768 /nfs/dbraw/zinc/70/47/68/172704768.db2.gz JYHYWDJWAUGSDJ-STQMWFEESA-N 1 0 266.404 3.977 10 10 CHCERO CCC[NH2+]Cc1ccc(N(CC)CC(F)(F)F)cc1 ZINC000042777308 174874413 /nfs/dbraw/zinc/87/44/13/174874413.db2.gz WTLVWDOQYRROEC-UHFFFAOYSA-N 1 0 274.330 3.575 10 10 CHCERO Cc1csc([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC000179567126 329209577 /nfs/dbraw/zinc/20/95/77/329209577.db2.gz ULELZCKOHKJPLS-CQSZACIVSA-N 1 0 288.416 3.537 10 10 CHCERO [O-]c1c(F)cccc1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000165015761 331305601 /nfs/dbraw/zinc/30/56/01/331305601.db2.gz WZZIGRZACNFNGQ-WDEREUQCSA-N 1 0 291.288 3.742 10 10 CHCERO CC[NH2+]Cc1ccc(N2CCC(CC)CC2)cc1C ZINC000050583283 519997477 /nfs/dbraw/zinc/99/74/77/519997477.db2.gz XRERALJMGXKXLM-UHFFFAOYSA-N 1 0 260.425 3.731 10 10 CHCERO CC(C)[C@@H](C)N(C)c1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061695362 519791331 /nfs/dbraw/zinc/79/13/31/519791331.db2.gz NOWFLFXHQKQABA-GHMZBOCLSA-N 1 0 254.805 3.840 10 10 CHCERO CCC[NH2+]Cc1ccc(N(C)[C@@H](C)C(C)C)c(C)c1 ZINC000050560429 519950803 /nfs/dbraw/zinc/95/08/03/519950803.db2.gz COWMRBWKWYRHQE-HNNXBMFYSA-N 1 0 262.441 3.975 10 10 CHCERO CCCN(CC)c1ccc([C@H](C)[NH2+]C)cc1Br ZINC000061694833 521617598 /nfs/dbraw/zinc/61/75/98/521617598.db2.gz QIOZTMKHUNYCFF-NSHDSACASA-N 1 0 299.256 3.966 10 10 CHCERO CCCN(c1ccc([C@H](C)[NH3+])cc1Br)C1CC1 ZINC000061694855 521697139 /nfs/dbraw/zinc/69/71/39/521697139.db2.gz CTSFJTVDHGKHJM-JTQLQIEISA-N 1 0 297.240 3.848 10 10 CHCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cccc(O)c2)c1 ZINC000037151382 524770683 /nfs/dbraw/zinc/77/06/83/524770683.db2.gz JIQPTUJYYFTXIK-RYUDHWBXSA-N 1 0 287.359 3.518 10 10 CHCERO C[C@@H](N(C)c1ccc(C[NH3+])cc1Cl)C(C)(C)C ZINC000062793104 524983481 /nfs/dbraw/zinc/98/34/81/524983481.db2.gz YWYLSHPWSUAFQA-SNVBAGLBSA-N 1 0 254.805 3.670 10 10 CHCERO Cc1cc(N2CCC[C@H]3CCCC[C@@H]32)ccc1C[NH3+] ZINC000050582599 525073317 /nfs/dbraw/zinc/07/33/17/525073317.db2.gz NFWSXZHXBBZIFM-PBHICJAKSA-N 1 0 258.409 3.613 10 10 CHCERO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000127715964 525343769 /nfs/dbraw/zinc/34/37/69/525343769.db2.gz GZCXHTKCSBQYTF-AWEZNQCLSA-N 1 0 288.416 3.884 10 10 CHCERO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(F)c(F)c2)c1 ZINC000071407304 525353369 /nfs/dbraw/zinc/35/33/69/525353369.db2.gz RHFLPIYJTDHHOE-LLVKDONJSA-N 1 0 277.314 3.830 10 10 CHCERO Cc1ccc(O)c([C@H](C)[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000281826213 525362296 /nfs/dbraw/zinc/36/22/96/525362296.db2.gz ZZHXAGQJYQJQCT-IHRRRGAJSA-N 1 0 277.408 3.555 10 10 CHCERO CC1CCC(CC[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000232815770 567215886 /nfs/dbraw/zinc/21/58/86/567215886.db2.gz HXDAXFNDAASSAX-UHFFFAOYSA-N 1 0 265.372 3.837 10 10 CHCERO CC1(C)[C@H]2CC[C@]1(C)[C@H]([NH2+]Cc1ccccc1O)C2 ZINC000004977843 170048051 /nfs/dbraw/zinc/04/80/51/170048051.db2.gz AVTKPBRAYCSVAB-YSVLISHTSA-N 1 0 259.393 3.697 10 10 CHCERO Cc1ccc(CN(C)c2ccc([C@@H](C)[NH3+])cc2F)cc1 ZINC000019978347 170957846 /nfs/dbraw/zinc/95/78/46/170957846.db2.gz BFFMXLYDLSIYQK-CYBMUJFWSA-N 1 0 272.367 3.790 10 10 CHCERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)c(O)c1 ZINC000020148083 171036145 /nfs/dbraw/zinc/03/61/45/171036145.db2.gz DAYURFHRUISXGN-VXGBXAGGSA-N 1 0 289.350 3.952 10 10 CHCERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccs2)c(O)c1 ZINC000020148648 171037161 /nfs/dbraw/zinc/03/71/61/171037161.db2.gz PJXQQLIFYITJEG-MNOVXSKESA-N 1 0 277.389 3.874 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N(C)Cc2cccc(F)c2)c(F)c1 ZINC000020266782 171123686 /nfs/dbraw/zinc/12/36/86/171123686.db2.gz VAQVHPSFDKTMDX-LLVKDONJSA-N 1 0 276.330 3.621 10 10 CHCERO CCCCN(CCCC)c1ccc(C[NH3+])cc1F ZINC000020486026 171225046 /nfs/dbraw/zinc/22/50/46/171225046.db2.gz FGKSNFNUKATLGT-UHFFFAOYSA-N 1 0 252.377 3.691 10 10 CHCERO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H]1COc2ccccc21 ZINC000183629357 329251473 /nfs/dbraw/zinc/25/14/73/329251473.db2.gz AYVOWCXRBMOLRH-ZENOOKHLSA-N 1 0 283.371 3.608 10 10 CHCERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc(Cl)ccc1O ZINC000248479758 329894462 /nfs/dbraw/zinc/89/44/62/329894462.db2.gz AASAGWINFRAWIS-SFXCNKRSSA-N 1 0 295.810 3.654 10 10 CHCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000192795108 534204522 /nfs/dbraw/zinc/20/45/22/534204522.db2.gz FOJWTHKBAWQNTC-LRDDRELGSA-N 1 0 299.370 3.575 10 10 CHCERO CC(C)CN(c1ccc(C[NH3+])cc1Cl)C(C)C ZINC000062793086 519719090 /nfs/dbraw/zinc/71/90/90/519719090.db2.gz DLNZHJMGSYCMHP-UHFFFAOYSA-N 1 0 254.805 3.670 10 10 CHCERO CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000036958405 524026511 /nfs/dbraw/zinc/02/65/11/524026511.db2.gz HULQIUWCWSUHMA-CYBMUJFWSA-N 1 0 255.361 3.805 10 10 CHCERO C[C@@H]1CCCC[C@H]1N(C)c1ccc(C[NH3+])cc1Cl ZINC000062793093 524162812 /nfs/dbraw/zinc/16/28/12/524162812.db2.gz RIKFKIMPASHVHA-BXUZGUMPSA-N 1 0 266.816 3.814 10 10 CHCERO C[C@@H]1CCCC[C@H]1N(C)c1ccc(C[NH3+])c(Cl)c1 ZINC000061846192 524163085 /nfs/dbraw/zinc/16/30/85/524163085.db2.gz DTHZUNZIQLSWHP-IAQYHMDHSA-N 1 0 266.816 3.814 10 10 CHCERO Cc1cc(C[NH2+]C(C)C)ccc1N(C)[C@H](C)C1CC1 ZINC000050560415 524750624 /nfs/dbraw/zinc/75/06/24/524750624.db2.gz ZCWAGWVOAJRGLM-CQSZACIVSA-N 1 0 260.425 3.728 10 10 CHCERO C[C@H]([NH3+])c1ccc(N(C)Cc2ccoc2)c(Cl)c1 ZINC000061696466 524864308 /nfs/dbraw/zinc/86/43/08/524864308.db2.gz FNDPWGPGOHXCLQ-JTQLQIEISA-N 1 0 264.756 3.589 10 10 CHCERO Cc1ccccc1CN(C)c1ccc([C@@H](C)[NH3+])cc1 ZINC000048872395 525131424 /nfs/dbraw/zinc/13/14/24/525131424.db2.gz FUINWLDJOFDUOD-CQSZACIVSA-N 1 0 254.377 3.651 10 10 CHCERO C[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1O)C1CCCCC1 ZINC000052332670 525603786 /nfs/dbraw/zinc/60/37/86/525603786.db2.gz VSKPJNYHMVZOGF-NEPJUHHUSA-N 1 0 263.381 3.717 10 10 CHCERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)o1 ZINC000094617239 525747075 /nfs/dbraw/zinc/74/70/75/525747075.db2.gz GXBDXFJSFDEQTM-GHMZBOCLSA-N 1 0 263.312 3.845 10 10 CHCERO CCCC[NH+](CCCC)CCc1ccc(O)c(O)c1 ZINC000062564716 567932900 /nfs/dbraw/zinc/93/29/00/567932900.db2.gz CQYLRKNQTZZQMY-UHFFFAOYSA-N 1 0 265.397 3.543 10 10 CHCERO CC(C)[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000020305441 134725717 /nfs/dbraw/zinc/72/57/17/134725717.db2.gz PGRNYEOWCJIMHW-HNNXBMFYSA-N 1 0 260.425 3.811 10 10 CHCERO C[C@H]([NH3+])c1ccc(N2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000036810141 134823852 /nfs/dbraw/zinc/82/38/52/134823852.db2.gz ZDPRHBRZEDWLSZ-CWRNSKLLSA-N 1 0 258.409 3.723 10 10 CHCERO COCCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000005822677 170144221 /nfs/dbraw/zinc/14/42/21/170144221.db2.gz IGGGYUPEFQQBLD-UHFFFAOYSA-N 1 0 266.344 3.836 10 10 CHCERO C[C@@H]([NH2+]Cc1c(O)ccc2ccccc21)c1ccccn1 ZINC000020123304 171004469 /nfs/dbraw/zinc/00/44/69/171004469.db2.gz ARVQJBPUHZHQRF-CYBMUJFWSA-N 1 0 278.355 3.791 10 10 CHCERO CCCCCC[NH2+][C@H](C)c1ccc(OC)cc1O ZINC000020143703 171029133 /nfs/dbraw/zinc/02/91/33/171029133.db2.gz FDQULXSZXDYVMV-GFCCVEGCSA-N 1 0 251.370 3.632 10 10 CHCERO C[C@H]([NH3+])c1ccc(N2CCCCCCC2)c(F)c1 ZINC000022152716 171359812 /nfs/dbraw/zinc/35/98/12/171359812.db2.gz KTYDFTCOUHLQFR-LBPRGKRZSA-N 1 0 250.361 3.616 10 10 CHCERO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc(N(C)C)cc1 ZINC000037260244 173070048 /nfs/dbraw/zinc/07/00/48/173070048.db2.gz NNUCCEKJBPLBRU-OLZOCXBDSA-N 1 0 258.365 3.757 10 10 CHCERO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000037260242 173070092 /nfs/dbraw/zinc/07/00/92/173070092.db2.gz NNUCCEKJBPLBRU-STQMWFEESA-N 1 0 258.365 3.757 10 10 CHCERO CC[C@@H]([NH3+])[C@H](Sc1nccs1)c1cccc(F)c1 ZINC000042974804 174938061 /nfs/dbraw/zinc/93/80/61/174938061.db2.gz SCJSCFRBOVKSDX-VXGBXAGGSA-N 1 0 282.409 3.853 10 10 CHCERO C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)c1ccccc1O ZINC000183629319 329251482 /nfs/dbraw/zinc/25/14/82/329251482.db2.gz AYVOWCXRBMOLRH-XEZPLFJOSA-N 1 0 283.371 3.608 10 10 CHCERO CCCN(c1ccc([C@H](C)[NH2+]C)cc1Cl)C1CC1 ZINC000061694849 521697431 /nfs/dbraw/zinc/69/74/31/521697431.db2.gz SZYRZCMNWUDDDR-NSHDSACASA-N 1 0 266.816 3.999 10 10 CHCERO C[NH2+][C@H](C)c1ccc(N(C)[C@@H]2CCSC2)c(Cl)c1 ZINC000061695005 522446340 /nfs/dbraw/zinc/44/63/40/522446340.db2.gz JCBNJOQVWZYUCG-ZYHUDNBSSA-N 1 0 284.856 3.562 10 10 CHCERO CC[C@H](C)N(C)c1ccc(C[NH2+]CC(C)C)cc1F ZINC000062735356 523924792 /nfs/dbraw/zinc/92/47/92/523924792.db2.gz UIBRCUVIRSJQSI-ZDUSSCGKSA-N 1 0 266.404 3.806 10 10 CHCERO C[C@H]([NH3+])c1ccc(N2CCCC[C@@H]2C)c(Cl)c1 ZINC000103962477 567218614 /nfs/dbraw/zinc/21/86/14/567218614.db2.gz FNOKOPBZRZBKDL-QWRGUYRKSA-N 1 0 252.789 3.739 10 10 CHCERO CCN(CC)c1ccc(C[NH2+]CCCOCC(C)C)cc1 ZINC000020007992 184535330 /nfs/dbraw/zinc/53/53/30/184535330.db2.gz WEIZQUCHFOWCQA-UHFFFAOYSA-N 1 0 292.467 3.685 10 10 CHCERO CCCCOCCC[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000013719977 170581496 /nfs/dbraw/zinc/58/14/96/170581496.db2.gz LAYVEXBCPPDYBF-UHFFFAOYSA-N 1 0 292.467 3.829 10 10 CHCERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2)c(O)c1 ZINC000020095978 170995067 /nfs/dbraw/zinc/99/50/67/170995067.db2.gz UPPLBLJFDIEKBF-VXGBXAGGSA-N 1 0 289.350 3.952 10 10 CHCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)c1ccncc1 ZINC000020121491 171001182 /nfs/dbraw/zinc/00/11/82/171001182.db2.gz YIQAKANNWRWZKG-VNHYZAJKSA-N 1 0 282.387 3.995 10 10 CHCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cccs2)c1 ZINC000020148374 171036087 /nfs/dbraw/zinc/03/60/87/171036087.db2.gz YMFUDVRVHGXNOY-GHMZBOCLSA-N 1 0 277.389 3.874 10 10 CHCERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc2ccccc2c1O ZINC000020206531 171071358 /nfs/dbraw/zinc/07/13/58/171071358.db2.gz IYXWHRKYNRBXCJ-DCGLDWPTSA-N 1 0 285.387 3.764 10 10 CHCERO CCN(Cc1ccccc1)c1ccc([C@H](C)[NH3+])cc1 ZINC000020486589 171226176 /nfs/dbraw/zinc/22/61/76/171226176.db2.gz ITMZSKMCYCIOCM-AWEZNQCLSA-N 1 0 254.377 3.733 10 10 CHCERO CCN(c1ccc(C[NH2+]C)cc1F)C1CCCCC1 ZINC000034823877 171877826 /nfs/dbraw/zinc/87/78/26/171877826.db2.gz VVKNRJIMWJCZFD-UHFFFAOYSA-N 1 0 264.388 3.704 10 10 CHCERO CC(C)N(CC(F)(F)F)c1ccc([C@@H](C)[NH3+])cc1F ZINC000042769760 174870421 /nfs/dbraw/zinc/87/04/21/174870421.db2.gz DKIHJFGWGRHKKT-SECBINFHSA-N 1 0 278.293 3.623 10 10 CHCERO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccccc2F)c1 ZINC000071408051 176156794 /nfs/dbraw/zinc/15/67/94/176156794.db2.gz FWXUIAGXLNXTGS-GFCCVEGCSA-N 1 0 259.324 3.691 10 10 CHCERO CC[C@H](c1ccccc1O)[N@@H+]1CCCC[C@@H](COC)C1 ZINC000377630550 329021879 /nfs/dbraw/zinc/02/18/79/329021879.db2.gz UWSVAWXCPXSZPK-GDBMZVCRSA-N 1 0 277.408 3.592 10 10 CHCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000185627784 329327983 /nfs/dbraw/zinc/32/79/83/329327983.db2.gz WPSOVWOOILQZBT-UAGQMJEPSA-N 1 0 299.418 3.732 10 10 CHCERO CC[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)c1ccccc1O ZINC000248584578 329895102 /nfs/dbraw/zinc/89/51/02/329895102.db2.gz XEJFTSADRBKDSW-XKQJLSEDSA-N 1 0 297.398 3.998 10 10 CHCERO CCC[NH2+][C@@H](C)c1ccc(N(C)C2CC2)c(Cl)c1 ZINC000061694759 519989606 /nfs/dbraw/zinc/98/96/06/519989606.db2.gz LQCCODJMOUDJLR-NSHDSACASA-N 1 0 266.816 3.999 10 10 CHCERO CC[NH2+]Cc1cc(F)c(N(CC)[C@@H](C)CC)c(F)c1 ZINC000062710391 519992541 /nfs/dbraw/zinc/99/25/41/519992541.db2.gz KANVFVRJGGXVAI-NSHDSACASA-N 1 0 270.367 3.699 10 10 CHCERO CC[NH2+]Cc1cc(F)c(N(C)CCC(C)C)c(F)c1 ZINC000062712144 519992624 /nfs/dbraw/zinc/99/26/24/519992624.db2.gz FWKDJYCKMYBYEW-UHFFFAOYSA-N 1 0 270.367 3.557 10 10 CHCERO CC[NH2+]Cc1ccc(N(C)[C@H](C)C(C)(C)C)c(C)c1 ZINC000050562177 519997977 /nfs/dbraw/zinc/99/79/77/519997977.db2.gz URDNXCMDXHTRGB-CQSZACIVSA-N 1 0 262.441 3.975 10 10 CHCERO CC[C@@H]1CCCN1c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062736568 523272189 /nfs/dbraw/zinc/27/21/89/523272189.db2.gz NLWANYTXEUUQHS-OAHLLOKOSA-N 1 0 260.425 3.954 10 10 CHCERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)o1 ZINC000094617237 525738805 /nfs/dbraw/zinc/73/88/05/525738805.db2.gz GXBDXFJSFDEQTM-WDEREUQCSA-N 1 0 263.312 3.845 10 10 CHCERO C[C@@H]([NH2+]Cc1c(O)ccc2ccccc21)c1ccncc1 ZINC000020121167 171000194 /nfs/dbraw/zinc/00/01/94/171000194.db2.gz UMDZTRNWQDOXSF-CYBMUJFWSA-N 1 0 278.355 3.791 10 10 CHCERO CC[C@H]([NH2+][C@@H](C)c1ccncc1)c1ccccc1O ZINC000020121426 171000265 /nfs/dbraw/zinc/00/02/65/171000265.db2.gz AVLXJFPNHIQPPF-WFASDCNBSA-N 1 0 256.349 3.589 10 10 CHCERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H](C)c1ccncc1 ZINC000020121492 171001453 /nfs/dbraw/zinc/00/14/53/171001453.db2.gz YIQAKANNWRWZKG-KCQAQPDRSA-N 1 0 282.387 3.995 10 10 CHCERO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccs2)c(O)c1 ZINC000020148651 171037173 /nfs/dbraw/zinc/03/71/73/171037173.db2.gz PJXQQLIFYITJEG-WDEREUQCSA-N 1 0 277.389 3.874 10 10 CHCERO CC(C)C[NH2+][C@H](C)c1ccc(N2CCCC2)c(F)c1 ZINC000020468671 171210929 /nfs/dbraw/zinc/21/09/29/171210929.db2.gz RDGDLERHFBYNNX-CYBMUJFWSA-N 1 0 264.388 3.733 10 10 CHCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccncc2)c1 ZINC000035628759 172308474 /nfs/dbraw/zinc/30/84/74/172308474.db2.gz LJPAVKFIEZBHRE-CHWSQXEVSA-N 1 0 256.349 3.507 10 10 CHCERO CC[C@H]([NH2+][C@H](C)C1CC1)c1cc(Br)ccc1O ZINC000035733201 172384850 /nfs/dbraw/zinc/38/48/50/172384850.db2.gz BCRSPFJSADGZKC-RNCFNFMXSA-N 1 0 298.224 3.994 10 10 CHCERO CCCCCN(C)c1ccc(C[NH2+]C(C)C)cc1F ZINC000037171968 173005117 /nfs/dbraw/zinc/00/51/17/173005117.db2.gz PUJBMZMJTQXFGZ-UHFFFAOYSA-N 1 0 266.404 3.950 10 10 CHCERO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ncc(C)s2)c1 ZINC000123904559 327973735 /nfs/dbraw/zinc/97/37/35/327973735.db2.gz QTVXMCOUSOCIFR-WDEREUQCSA-N 1 0 292.404 3.578 10 10 CHCERO C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccccc1O ZINC000248385662 329890802 /nfs/dbraw/zinc/89/08/02/329890802.db2.gz JLSUSDFJRMCHTC-ZHCSWWCTSA-N 1 0 279.383 3.629 10 10 CHCERO [O-]c1c(F)cccc1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000165015869 331305708 /nfs/dbraw/zinc/30/57/08/331305708.db2.gz WZZIGRZACNFNGQ-QWRGUYRKSA-N 1 0 291.288 3.742 10 10 CHCERO Oc1ccc(F)cc1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000226584289 333265637 /nfs/dbraw/zinc/26/56/37/333265637.db2.gz IVASUIZEJXXBMQ-UHFFFAOYSA-N 1 0 291.288 3.742 10 10 CHCERO CC(C)C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000062734361 519747156 /nfs/dbraw/zinc/74/71/56/519747156.db2.gz QUYZUFFEJUUFCS-OAHLLOKOSA-N 1 0 260.425 3.669 10 10 CHCERO CCC[NH2+]Cc1ccc(N2CCCCCC2)cc1C ZINC000050581151 519950113 /nfs/dbraw/zinc/95/01/13/519950113.db2.gz TYDVDZWJACYLFU-UHFFFAOYSA-N 1 0 260.425 3.875 10 10 CHCERO CCCN(CCC)c1ccc([C@H](C)[NH3+])cc1Cl ZINC000061694099 521650887 /nfs/dbraw/zinc/65/08/87/521650887.db2.gz BJBVXFYTSPKHPP-NSHDSACASA-N 1 0 254.805 3.986 10 10 CHCERO C[NH2+]Cc1ccc(N(C)CC2CCCCC2)cc1C ZINC000050583734 522120726 /nfs/dbraw/zinc/12/07/26/522120726.db2.gz LNQDYTQUQRSGCB-UHFFFAOYSA-N 1 0 260.425 3.731 10 10 CHCERO C[NH2+][C@@H](C)c1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000061693877 522332318 /nfs/dbraw/zinc/33/23/18/522332318.db2.gz GMPBJRVNHUAWOU-LBPRGKRZSA-N 1 0 266.816 3.857 10 10 CHCERO CCc1ccc([C@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000036958493 524046615 /nfs/dbraw/zinc/04/66/15/524046615.db2.gz IYWJKWNXLFEAAH-ZDUSSCGKSA-N 1 0 285.387 3.814 10 10 CHCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cccc(O)c2)c1 ZINC000037151392 524764921 /nfs/dbraw/zinc/76/49/21/524764921.db2.gz JIQPTUJYYFTXIK-VXGBXAGGSA-N 1 0 287.359 3.518 10 10 CHCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cccc(O)c2)c1 ZINC000037151389 524766273 /nfs/dbraw/zinc/76/62/73/524766273.db2.gz JIQPTUJYYFTXIK-NWDGAFQWSA-N 1 0 287.359 3.518 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N2CC[C@@H](C)C[C@H]2C)c(Cl)c1 ZINC000061698161 525028952 /nfs/dbraw/zinc/02/89/52/525028952.db2.gz XZPSDZSARXNBIP-IJLUTSLNSA-N 1 0 266.816 3.985 10 10 CHCERO Cc1ccc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)c(O)c1 ZINC000192926743 525742526 /nfs/dbraw/zinc/74/25/26/525742526.db2.gz BXJZAMRDXQTQRC-QAPCUYQASA-N 1 0 298.430 3.654 10 10 CHCERO COc1cccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1O ZINC000036953174 526032541 /nfs/dbraw/zinc/03/25/41/526032541.db2.gz DWOQOKXHOJNRRJ-JTQLQIEISA-N 1 0 293.313 3.530 10 10 CHCERO CC[C@H](C)CN(C)c1ccc([C@H](C)[NH3+])cc1Br ZINC000103965755 185870548 /nfs/dbraw/zinc/87/05/48/185870548.db2.gz VEPSYCMFAXDKIR-QWRGUYRKSA-N 1 0 299.256 3.951 10 10 CHCERO CCOc1ccc2c(c1)[nH+]c1ccc([N+](=O)[O-])cc1c2NC ZINC000005466680 170102198 /nfs/dbraw/zinc/10/21/98/170102198.db2.gz CNPIVLSBPWCFQB-UHFFFAOYSA-N 1 0 297.314 3.737 10 10 CHCERO C[C@H]([NH2+]Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000020121892 171001494 /nfs/dbraw/zinc/00/14/94/171001494.db2.gz QIKBATWFULERRB-JTQLQIEISA-N 1 0 277.751 3.602 10 10 CHCERO C[C@H]([NH2+]Cc1ccc(O)cc1O)c1ccc(Cl)cc1 ZINC000020121902 171001955 /nfs/dbraw/zinc/00/19/55/171001955.db2.gz QLYPDVQRMYZTCX-JTQLQIEISA-N 1 0 277.751 3.602 10 10 CHCERO C[C@H]([NH2+]Cc1ccc(O)c(O)c1)c1ccc(Cl)s1 ZINC000035253647 172083537 /nfs/dbraw/zinc/08/35/37/172083537.db2.gz UQKBBSPBSZCOML-QMMMGPOBSA-N 1 0 283.780 3.664 10 10 CHCERO C[NH2+][C@@H](C)c1ccc(N(C)Cc2cccs2)cc1 ZINC000035717664 172370836 /nfs/dbraw/zinc/37/08/36/172370836.db2.gz FVXZGDNDXHNEDS-LBPRGKRZSA-N 1 0 260.406 3.665 10 10 CHCERO CCCCC[C@@H](C)[NH2+][C@H](C)c1cc(O)ccc1O ZINC000036792288 172710757 /nfs/dbraw/zinc/71/07/57/172710757.db2.gz XGZPCEDZKPFIKW-VXGBXAGGSA-N 1 0 251.370 3.717 10 10 CHCERO CCCN(CCC)c1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000037306594 173110480 /nfs/dbraw/zinc/11/04/80/173110480.db2.gz DVGPEBVLROHTIX-UHFFFAOYSA-N 1 0 274.330 3.791 10 10 CHCERO CCC[NH+](CCC)[C@H](CN)c1ccc(N(CC)CC)cc1 ZINC000039789115 174173832 /nfs/dbraw/zinc/17/38/32/174173832.db2.gz PLOFVCDSNPWWFM-GOSISDBHSA-N 1 0 291.483 3.655 10 10 CHCERO CCCC[N@H+](CCOc1ccc(N)cc1)[C@H](C)CC ZINC000042600593 174816232 /nfs/dbraw/zinc/81/62/32/174816232.db2.gz UIIKPEHXQJAGOS-CQSZACIVSA-N 1 0 264.413 3.548 10 10 CHCERO CC[C@H]([NH3+])[C@@H](Sc1nccs1)c1ccc(OC)cc1 ZINC000042965204 174928622 /nfs/dbraw/zinc/92/86/22/174928622.db2.gz UCNQGTLHYNVFNJ-STQMWFEESA-N 1 0 294.445 3.722 10 10 CHCERO CC[C@@H]([NH2+][C@H]1COc2ccccc21)c1ccccc1O ZINC000070529260 326917787 /nfs/dbraw/zinc/91/77/87/326917787.db2.gz LKWSDUBYKRBHNL-CABCVRRESA-N 1 0 269.344 3.567 10 10 CHCERO CC[NH2+][C@@H](C)c1ccc(N2CCCC2)c(Cl)c1 ZINC000061693891 520076220 /nfs/dbraw/zinc/07/62/20/520076220.db2.gz HWGJKNMCLRXCJR-NSHDSACASA-N 1 0 252.789 3.611 10 10 CHCERO CC(C)C[NH2+]Cc1ccc(N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000062734632 519747222 /nfs/dbraw/zinc/74/72/22/519747222.db2.gz WOQWIJIXVWSKOO-HZPDHXFCSA-N 1 0 274.452 3.915 10 10 CHCERO CC1CCC(N(C)c2ccc(C[NH3+])c(Cl)c2)CC1 ZINC000061846043 520938730 /nfs/dbraw/zinc/93/87/30/520938730.db2.gz UVAGJGAUPYICBP-UHFFFAOYSA-N 1 0 266.816 3.814 10 10 CHCERO CN(Cc1cccc(F)c1)c1ccc(C[NH3+])cc1Cl ZINC000062792844 523314078 /nfs/dbraw/zinc/31/40/78/523314078.db2.gz CTINTWTVEDLRJV-UHFFFAOYSA-N 1 0 278.758 3.574 10 10 CHCERO Cc1cc(N2CCCC[C@H]2C)ccc1C[NH2+]C(C)C ZINC000050581010 525064401 /nfs/dbraw/zinc/06/44/01/525064401.db2.gz GXTPSPGGDXUELY-OAHLLOKOSA-N 1 0 260.425 3.872 10 10 CHCERO Cc1ccccc1[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226582441 525415590 /nfs/dbraw/zinc/41/55/90/525415590.db2.gz XSFQXFKCCVWCSD-LBPRGKRZSA-N 1 0 259.324 3.691 10 10 CHCERO [NH3+]Cc1ccc(N(Cc2ccco2)C2CC2)cc1Cl ZINC000061846224 527254481 /nfs/dbraw/zinc/25/44/81/527254481.db2.gz SYJRWQKPXDEOAU-UHFFFAOYSA-N 1 0 276.767 3.561 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N2CCCC[C@@H]2C)c(Cl)c1 ZINC000058826232 567217514 /nfs/dbraw/zinc/21/75/14/567217514.db2.gz FNOKOPBZRZBKDL-WDEREUQCSA-N 1 0 252.789 3.739 10 10 CHCERO C[C@@H]([NH2+]C1CC1)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000020572045 570408351 /nfs/dbraw/zinc/40/83/51/570408351.db2.gz GBBVUVAICAHMPP-CYBMUJFWSA-N 1 0 276.399 3.875 10 10 CHCERO CCC[NH2+]Cc1ccc(N(C)C[C@@H](C)CC)c(C)c1 ZINC000104166614 185915108 /nfs/dbraw/zinc/91/51/08/185915108.db2.gz CXNLFKXCVNTIKF-AWEZNQCLSA-N 1 0 262.441 3.977 10 10 CHCERO COc1cccc(C[NH2+][C@@H](C)c2cccc(Cl)c2)c1O ZINC000020124238 171006449 /nfs/dbraw/zinc/00/64/49/171006449.db2.gz KGPUZTKGSIQRJA-NSHDSACASA-N 1 0 291.778 3.905 10 10 CHCERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000020126236 171010302 /nfs/dbraw/zinc/01/03/02/171010302.db2.gz OZHFCYNBPCBDAF-OLZOCXBDSA-N 1 0 271.360 3.818 10 10 CHCERO C[C@H]([NH2+][C@@H](C)c1ccc(O)cc1O)c1cccc(F)c1 ZINC000020147885 171035321 /nfs/dbraw/zinc/03/53/21/171035321.db2.gz KTXNBKYBSHOKSW-QWRGUYRKSA-N 1 0 275.323 3.649 10 10 CHCERO CC[C@@H]([NH2+][C@H](C)C1CC1)c1cc(Br)ccc1O ZINC000035733202 172384905 /nfs/dbraw/zinc/38/49/05/172384905.db2.gz BCRSPFJSADGZKC-NOZJJQNGSA-N 1 0 298.224 3.994 10 10 CHCERO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1O ZINC000179963505 329214063 /nfs/dbraw/zinc/21/40/63/329214063.db2.gz MDOINXFXFSWTKQ-CQSZACIVSA-N 1 0 288.416 3.537 10 10 CHCERO Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccco2)c1O ZINC000180193206 329218406 /nfs/dbraw/zinc/21/84/06/329218406.db2.gz KHTFVBWXXLMYJR-AWEZNQCLSA-N 1 0 257.333 3.631 10 10 CHCERO C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccccc1O ZINC000248385660 329890776 /nfs/dbraw/zinc/89/07/76/329890776.db2.gz JLSUSDFJRMCHTC-CTSOBWNQSA-N 1 0 279.383 3.629 10 10 CHCERO CSC(C)(C)C[NH2+]Cc1c(O)ccc2ccccc21 ZINC000135383634 334128274 /nfs/dbraw/zinc/12/82/74/334128274.db2.gz NWOSUOQRRKOYOZ-UHFFFAOYSA-N 1 0 275.417 3.777 10 10 CHCERO C[NH2+][C@H](C)c1ccc(N(C)CC(C)C)c(Cl)c1 ZINC000061694894 522446446 /nfs/dbraw/zinc/44/64/46/522446446.db2.gz MHRGQYPKLXPXDP-LLVKDONJSA-N 1 0 254.805 3.713 10 10 CHCERO CC(C)[C@H](C)N(C)c1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061695363 519811941 /nfs/dbraw/zinc/81/19/41/519811941.db2.gz NOWFLFXHQKQABA-MNOVXSKESA-N 1 0 254.805 3.840 10 10 CHCERO CCCC1CCN(c2ccc([C@H](C)[NH3+])cc2F)CC1 ZINC000050893917 519903904 /nfs/dbraw/zinc/90/39/04/519903904.db2.gz LOVWILVUWUSNEJ-LBPRGKRZSA-N 1 0 264.388 3.862 10 10 CHCERO CC[NH2+][C@H](C)c1ccc(N2CCCC2)c(Cl)c1 ZINC000061693892 520178238 /nfs/dbraw/zinc/17/82/38/520178238.db2.gz HWGJKNMCLRXCJR-LLVKDONJSA-N 1 0 252.789 3.611 10 10 CHCERO CCN(CC(C)C)c1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061694936 520414874 /nfs/dbraw/zinc/41/48/74/520414874.db2.gz HSVJHYAVUGZGET-LLVKDONJSA-N 1 0 254.805 3.842 10 10 CHCERO CCOc1cccc(C[NH2+][C@H](C)c2cccs2)c1O ZINC000020148287 521374387 /nfs/dbraw/zinc/37/43/87/521374387.db2.gz TUKPAIXIHRPOAY-LLVKDONJSA-N 1 0 277.389 3.703 10 10 CHCERO CC[C@H]([NH2+][C@H](C)[C@@H]1COc2ccccc21)c1ccccc1O ZINC000156919973 522735358 /nfs/dbraw/zinc/73/53/58/522735358.db2.gz XEJFTSADRBKDSW-COXVUDFISA-N 1 0 297.398 3.998 10 10 CHCERO Cc1cc(C[NH2+]C(C)(C)C)ccc1N(C)CC1CC1 ZINC000050560795 524750706 /nfs/dbraw/zinc/75/07/06/524750706.db2.gz ICSNSHOEVVGXJY-UHFFFAOYSA-N 1 0 260.425 3.729 10 10 CHCERO Cc1cc(C[NH2+]C(C)C)ccc1N(C)[C@@H](C)C1CC1 ZINC000050560413 524751779 /nfs/dbraw/zinc/75/17/79/524751779.db2.gz ZCWAGWVOAJRGLM-AWEZNQCLSA-N 1 0 260.425 3.728 10 10 CHCERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccsc2)c(O)c1 ZINC000061360947 525161564 /nfs/dbraw/zinc/16/15/64/525161564.db2.gz MVFDBPCCRVNCGC-WDEREUQCSA-N 1 0 277.389 3.874 10 10 CHCERO COc1cccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)c1O ZINC000036953175 526037211 /nfs/dbraw/zinc/03/72/11/526037211.db2.gz DWOQOKXHOJNRRJ-SNVBAGLBSA-N 1 0 293.313 3.530 10 10 CHCERO CC[n+]1ccccc1/C=C1\Sc2ccc(C)cc2N1C ZINC000012473679 570395161 /nfs/dbraw/zinc/39/51/61/570395161.db2.gz QVAMVTJLPMBGDL-UHFFFAOYSA-N 1 0 283.420 3.843 10 10 CHCERO C[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1O)c1cccc(F)c1 ZINC000020147884 171035358 /nfs/dbraw/zinc/03/53/58/171035358.db2.gz KTXNBKYBSHOKSW-MNOVXSKESA-N 1 0 275.323 3.649 10 10 CHCERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc(O)cc1O ZINC000020148309 171036045 /nfs/dbraw/zinc/03/60/45/171036045.db2.gz OKKFALFLCROQTR-ZJUUUORDSA-N 1 0 263.362 3.571 10 10 CHCERO CCCC[NH2+][C@@H](C)c1ccc(N2CCCC2)c(F)c1 ZINC000020583064 171257614 /nfs/dbraw/zinc/25/76/14/171257614.db2.gz XQBSWQFCPVGRPJ-ZDUSSCGKSA-N 1 0 264.388 3.877 10 10 CHCERO C[C@@H]([NH3+])[C@@H](Sc1nccs1)c1ccc(Cl)cc1 ZINC000042951391 174923788 /nfs/dbraw/zinc/92/37/88/174923788.db2.gz DLRZMUIBLRXEIV-LDYMZIIASA-N 1 0 284.837 3.977 10 10 CHCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000192795122 534203757 /nfs/dbraw/zinc/20/37/57/534203757.db2.gz FOJWTHKBAWQNTC-WBMJQRKESA-N 1 0 299.370 3.575 10 10 CHCERO CC(C)[NH2+]Cc1ccc(N2Cc3ccccc3C2)cc1 ZINC000050911750 519726948 /nfs/dbraw/zinc/72/69/48/519726948.db2.gz BJCNZJMBUZUKET-UHFFFAOYSA-N 1 0 266.388 3.705 10 10 CHCERO CC(C)C[NH2+]Cc1ccc(N2CCCC[C@H]2C)cc1 ZINC000062734190 519747062 /nfs/dbraw/zinc/74/70/62/519747062.db2.gz FVCVYEZKSFJUGD-OAHLLOKOSA-N 1 0 260.425 3.811 10 10 CHCERO CC1CCN(c2ccc(C[NH2+]C(C)(C)C)cc2)CC1 ZINC000062734053 521041957 /nfs/dbraw/zinc/04/19/57/521041957.db2.gz USHFSBINNAKGKL-UHFFFAOYSA-N 1 0 260.425 3.811 10 10 CHCERO Cc1cc(C[NH2+]C2CC2)ccc1N1CCCCCC1 ZINC000050559810 524753022 /nfs/dbraw/zinc/75/30/22/524753022.db2.gz JGKNNZRQAFBARG-UHFFFAOYSA-N 1 0 258.409 3.627 10 10 CHCERO Cc1cc(N2CCCC[C@@H]2C)ccc1C[NH2+]C(C)C ZINC000050581007 525063429 /nfs/dbraw/zinc/06/34/29/525063429.db2.gz GXTPSPGGDXUELY-HNNXBMFYSA-N 1 0 260.425 3.872 10 10 CHCERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1cc(F)ccc1O ZINC000094617407 525627068 /nfs/dbraw/zinc/62/70/68/525627068.db2.gz WHHVHZKDGNPILL-NHYWBVRUSA-N 1 0 287.334 3.706 10 10 CHCERO C[C@H]([NH2+]C1CC1)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000020572046 570408299 /nfs/dbraw/zinc/40/82/99/570408299.db2.gz GBBVUVAICAHMPP-ZDUSSCGKSA-N 1 0 276.399 3.875 10 10 CHCERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000008701704 170346955 /nfs/dbraw/zinc/34/69/55/170346955.db2.gz IEZVUZMFJTVTHC-CKEIUWERSA-N 1 0 260.425 3.667 10 10 CHCERO C[C@@H]([NH2+]Cc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000020124186 171006369 /nfs/dbraw/zinc/00/63/69/171006369.db2.gz QOBIVFMUHRWLAS-SNVBAGLBSA-N 1 0 277.751 3.602 10 10 CHCERO COc1ccc([C@@H](C)[NH2+]CC2CCCCC2)c(O)c1 ZINC000037259309 173069134 /nfs/dbraw/zinc/06/91/34/173069134.db2.gz QGMDMOMUEFGDCB-GFCCVEGCSA-N 1 0 263.381 3.632 10 10 CHCERO C[NH2+][C@H](C)c1ccc(N(CC(C)C)C(C)C)c(F)c1 ZINC000042584826 174807399 /nfs/dbraw/zinc/80/73/99/174807399.db2.gz RPQWIYBCHMNWQI-CYBMUJFWSA-N 1 0 266.404 3.977 10 10 CHCERO Oc1ccccc1C[N@H+]1CC=C(c2cccs2)CC1 ZINC000179577805 329209795 /nfs/dbraw/zinc/20/97/95/329209795.db2.gz QEFZVVAUPTXYOA-UHFFFAOYSA-N 1 0 271.385 3.743 10 10 CHCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c(O)c1 ZINC000185628187 329328086 /nfs/dbraw/zinc/32/80/86/329328086.db2.gz ISPBDSKRSTUGBN-UAGQMJEPSA-N 1 0 299.418 3.732 10 10 CHCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c(O)c1 ZINC000185628224 329328089 /nfs/dbraw/zinc/32/80/89/329328089.db2.gz ISPBDSKRSTUGBN-XIRDDKMYSA-N 1 0 299.418 3.732 10 10 CHCERO CC(C)C[NH2+]Cc1ccc(N2CCCC[C@@H]2C)cc1 ZINC000062734191 519747145 /nfs/dbraw/zinc/74/71/45/519747145.db2.gz FVCVYEZKSFJUGD-HNNXBMFYSA-N 1 0 260.425 3.811 10 10 CHCERO CCC[NH2+]Cc1ccc(N(C)[C@H](C)C(C)C)c(C)c1 ZINC000050560430 519950481 /nfs/dbraw/zinc/95/04/81/519950481.db2.gz COWMRBWKWYRHQE-OAHLLOKOSA-N 1 0 262.441 3.975 10 10 CHCERO CCCCCN(C)c1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061694972 520156034 /nfs/dbraw/zinc/15/60/34/520156034.db2.gz BRZYGRZPNKRGBZ-LLVKDONJSA-N 1 0 254.805 3.986 10 10 CHCERO CC[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)c1ccccc1O ZINC000156919683 522692721 /nfs/dbraw/zinc/69/27/21/522692721.db2.gz XEJFTSADRBKDSW-JQFCIGGWSA-N 1 0 297.398 3.998 10 10 CHCERO C[C@H]([NH3+])c1ccc(N(C)[C@@H](C)C2CC2)c(Br)c1 ZINC000061695348 524865276 /nfs/dbraw/zinc/86/52/76/524865276.db2.gz VKGVCULUGKAOCP-UWVGGRQHSA-N 1 0 297.240 3.704 10 10 CHCERO C[C@H]([NH3+])c1ccc(N(C)C2CCCC2)c(Br)c1 ZINC000061694818 524865285 /nfs/dbraw/zinc/86/52/85/524865285.db2.gz PABRSWZCXDOSDO-JTQLQIEISA-N 1 0 297.240 3.848 10 10 CHCERO Cc1cc(N2CCC[C@@H](C)C2)ccc1C[NH2+]C(C)C ZINC000050581133 525067086 /nfs/dbraw/zinc/06/70/86/525067086.db2.gz VOVMRHNJKIPVLV-CQSZACIVSA-N 1 0 260.425 3.729 10 10 CHCERO Cc1cc(N2CCC[C@@H]2C)ccc1C[NH2+]CC(C)C ZINC000062736490 525068527 /nfs/dbraw/zinc/06/85/27/525068527.db2.gz DDMAIMRILOXEAR-HNNXBMFYSA-N 1 0 260.425 3.729 10 10 CHCERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccccc1O ZINC000037074394 525578404 /nfs/dbraw/zinc/57/84/04/525578404.db2.gz WNNCNQGTSYYWAA-SWLSCSKDSA-N 1 0 269.344 3.567 10 10 CHCERO COc1ccc([C@@H](C)[NH2+]C2CCCCCC2)c(O)c1 ZINC000020122673 171003259 /nfs/dbraw/zinc/00/32/59/171003259.db2.gz OCISMECFXPSWNB-GFCCVEGCSA-N 1 0 263.381 3.774 10 10 CHCERO C[C@@H]([NH2+]Cc1ccc(O)cc1O)c1ccccc1Cl ZINC000020124014 171005796 /nfs/dbraw/zinc/00/57/96/171005796.db2.gz ZDWOFJBNAAWUKK-SNVBAGLBSA-N 1 0 277.751 3.602 10 10 CHCERO C[C@H]([NH2+]Cc1ccccc1O)c1cccc(Cl)c1 ZINC000020124195 171006628 /nfs/dbraw/zinc/00/66/28/171006628.db2.gz DXNSGRWPGBZKCU-NSHDSACASA-N 1 0 261.752 3.896 10 10 CHCERO COc1cccc(C[NH2+][C@@H](C)c2ccccc2C)c1O ZINC000020126194 171010234 /nfs/dbraw/zinc/01/02/34/171010234.db2.gz WJMQVDONEUXTTD-ZDUSSCGKSA-N 1 0 271.360 3.560 10 10 CHCERO CC(C)C[NH2+][C@@H](C)c1ccc(N2CCCC2)c(F)c1 ZINC000020468669 171210620 /nfs/dbraw/zinc/21/06/20/171210620.db2.gz RDGDLERHFBYNNX-ZDUSSCGKSA-N 1 0 264.388 3.733 10 10 CHCERO COCC[NH2+][C@H](C)c1ccc(N2CCCCCC2)c(F)c1 ZINC000020551001 171247081 /nfs/dbraw/zinc/24/70/81/171247081.db2.gz MQNPUJCIYYSOEK-CQSZACIVSA-N 1 0 294.414 3.503 10 10 CHCERO C[C@H]([NH3+])c1ccc(N(C)CC(C)(C)C)c(Cl)c1 ZINC000061698025 524863572 /nfs/dbraw/zinc/86/35/72/524863572.db2.gz IQHPMORQUNRPMO-JTQLQIEISA-N 1 0 254.805 3.842 10 10 CHCERO CC[C@@H]([NH2+][C@@H]1COc2ccccc21)c1ccccc1O ZINC000070529258 326917736 /nfs/dbraw/zinc/91/77/36/326917736.db2.gz LKWSDUBYKRBHNL-HUUCEWRRSA-N 1 0 269.344 3.567 10 10 CHCERO CC[NH2+][C@H](C)c1ccc(N(CC)C2CC2)c(Cl)c1 ZINC000061694739 520178833 /nfs/dbraw/zinc/17/88/33/520178833.db2.gz YEYNKCVMMVGABD-LLVKDONJSA-N 1 0 266.816 3.999 10 10 CHCERO C[NH2+][C@H](C)c1ccc(N(C)C2CCCC2)c(Cl)c1 ZINC000061694814 522446905 /nfs/dbraw/zinc/44/69/05/522446905.db2.gz XGTWVUVMVZTJII-LLVKDONJSA-N 1 0 266.816 3.999 10 10 CHCERO CC[C@H]1CCCN1c1ccc([C@@H](C)[NH2+]C)cc1Cl ZINC000061696021 523112633 /nfs/dbraw/zinc/11/26/33/523112633.db2.gz IXUYOAQUBXBWAJ-YPMHNXCESA-N 1 0 266.816 3.999 10 10 CHCERO Cc1cc(C[NH2+]C(C)C)ccc1N1CCCC[C@H]1C ZINC000050559728 524751765 /nfs/dbraw/zinc/75/17/65/524751765.db2.gz BHHKTPBGDRGHBP-OAHLLOKOSA-N 1 0 260.425 3.872 10 10 CHCERO Cc1cc(N2CCC[C@@H]3CCCC[C@@H]32)ccc1C[NH3+] ZINC000050582601 525070196 /nfs/dbraw/zinc/07/01/96/525070196.db2.gz NFWSXZHXBBZIFM-YOEHRIQHSA-N 1 0 258.409 3.613 10 10 CHCERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccsc2)c(O)c1 ZINC000061360945 525329805 /nfs/dbraw/zinc/32/98/05/525329805.db2.gz MVFDBPCCRVNCGC-QWRGUYRKSA-N 1 0 277.389 3.874 10 10 CHCERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)o1 ZINC000094617238 525935887 /nfs/dbraw/zinc/93/58/87/525935887.db2.gz GXBDXFJSFDEQTM-QWRGUYRKSA-N 1 0 263.312 3.845 10 10 CHCERO COc1ccc(O)c(C[NH2+]CCC2CCC(C)CC2)c1 ZINC000070547356 567888970 /nfs/dbraw/zinc/88/89/70/567888970.db2.gz DMXYMILJHIKEDH-UHFFFAOYSA-N 1 0 277.408 3.707 10 10 CHCERO CC(C)C[C@H](C)N(C)c1ccc([C@H](C)[NH3+])cc1F ZINC000103953331 185867576 /nfs/dbraw/zinc/86/75/76/185867576.db2.gz VHHVNXZJDBNKPX-RYUDHWBXSA-N 1 0 252.377 3.716 10 10 CHCERO Oc1ccc2ccccc2c1C[NH2+]Cc1cccs1 ZINC000020138958 171026163 /nfs/dbraw/zinc/02/61/63/171026163.db2.gz ZWFFEJZMWGQXJO-UHFFFAOYSA-N 1 0 269.369 3.897 10 10 CHCERO C[C@@H]([NH2+][C@H](C)c1cc(O)ccc1O)c1cccc(F)c1 ZINC000020147918 171035207 /nfs/dbraw/zinc/03/52/07/171035207.db2.gz ZWAOEUCBPPHNFR-GHMZBOCLSA-N 1 0 275.323 3.649 10 10 CHCERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccs2)c(O)c1 ZINC000020148649 171037016 /nfs/dbraw/zinc/03/70/16/171037016.db2.gz PJXQQLIFYITJEG-QWRGUYRKSA-N 1 0 277.389 3.874 10 10 CHCERO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(O)cc1O ZINC000020209727 171073392 /nfs/dbraw/zinc/07/33/92/171073392.db2.gz GTFMBSXPBOROGO-SNVBAGLBSA-N 1 0 277.751 3.602 10 10 CHCERO CC(C)CCCCCC[NH2+]Cc1ccc(O)c(O)c1 ZINC000021043049 171293850 /nfs/dbraw/zinc/29/38/50/171293850.db2.gz PUNZNKJNFQLQLF-UHFFFAOYSA-N 1 0 265.397 3.794 10 10 CHCERO CCC[NH2+][C@@H](C)c1ccc(N(CC)CC)c(F)c1 ZINC000034666759 171855234 /nfs/dbraw/zinc/85/52/34/171855234.db2.gz IFUJAHIPWVVGFV-LBPRGKRZSA-N 1 0 252.377 3.733 10 10 CHCERO C[C@H]([NH3+])c1ccc(N(C)Cc2cccs2)c(F)c1 ZINC000035717710 172372147 /nfs/dbraw/zinc/37/21/47/172372147.db2.gz UQRSMQLQXUXGIP-JTQLQIEISA-N 1 0 264.369 3.543 10 10 CHCERO CCN(c1ccc([C@H](C)[NH3+])cc1F)C1CCCC1 ZINC000035766482 172408300 /nfs/dbraw/zinc/40/83/00/172408300.db2.gz UGSXJRPDDGWSSJ-NSHDSACASA-N 1 0 250.361 3.614 10 10 CHCERO CCC(CC)N(C)c1ccc([C@@H](C)[NH2+]C)cc1F ZINC000036789213 172707645 /nfs/dbraw/zinc/70/76/45/172707645.db2.gz GJXHRIBELBHWTJ-LLVKDONJSA-N 1 0 252.377 3.731 10 10 CHCERO COc1ccc([C@H](C)[NH2+]CC2CCCCC2)c(O)c1 ZINC000037259307 173069344 /nfs/dbraw/zinc/06/93/44/173069344.db2.gz QGMDMOMUEFGDCB-LBPRGKRZSA-N 1 0 263.381 3.632 10 10 CHCERO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000037260246 173069809 /nfs/dbraw/zinc/06/98/09/173069809.db2.gz NNUCCEKJBPLBRU-QWHCGFSZSA-N 1 0 258.365 3.757 10 10 CHCERO CC[NH2+][C@H](C)c1ccc(N(CC(C)C)C2CC2)cc1 ZINC000042557689 174794002 /nfs/dbraw/zinc/79/40/02/174794002.db2.gz HFUIFUHJDKCEIB-CQSZACIVSA-N 1 0 260.425 3.982 10 10 CHCERO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000037074372 260066962 /nfs/dbraw/zinc/06/69/62/260066962.db2.gz POCUOUYKXOXGEN-CQSZACIVSA-N 1 0 289.762 3.659 10 10 CHCERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362791 260094532 /nfs/dbraw/zinc/09/45/32/260094532.db2.gz HUIOYIULRYAZQF-AWEZNQCLSA-N 1 0 267.372 3.781 10 10 CHCERO COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(C)o2)c1O ZINC000184704750 262294689 /nfs/dbraw/zinc/29/46/89/262294689.db2.gz UOCLBPYPFUMENT-SNVBAGLBSA-N 1 0 295.766 3.806 10 10 CHCERO Oc1ccccc1C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000179583225 329210116 /nfs/dbraw/zinc/21/01/16/329210116.db2.gz KMRSHZVBAXCDRJ-UHFFFAOYSA-N 1 0 289.419 3.563 10 10 CHCERO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccco2)c1O ZINC000180193183 329218399 /nfs/dbraw/zinc/21/83/99/329218399.db2.gz KHTFVBWXXLMYJR-CQSZACIVSA-N 1 0 257.333 3.631 10 10 CHCERO CC[C@@H](C)N(C)c1ccc(C[NH2+]C(C)(C)C)cc1F ZINC000062735411 522065333 /nfs/dbraw/zinc/06/53/33/522065333.db2.gz JBKTZCCIJNJMBL-GFCCVEGCSA-N 1 0 266.404 3.949 10 10 CHCERO CC[NH2+][C@H](C)c1ccc(N2CCC[C@@H]2C)c(Cl)c1 ZINC000061695993 520178438 /nfs/dbraw/zinc/17/84/38/520178438.db2.gz MJKRJXGKUGFRLV-NWDGAFQWSA-N 1 0 266.816 3.999 10 10 CHCERO C[NH2+][C@@H](C)c1ccc(N(C)[C@@H]2CCSC2)c(Cl)c1 ZINC000061695004 522332096 /nfs/dbraw/zinc/33/20/96/522332096.db2.gz JCBNJOQVWZYUCG-CMPLNLGQSA-N 1 0 284.856 3.562 10 10 CHCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000037074425 525364159 /nfs/dbraw/zinc/36/41/59/525364159.db2.gz FXGLZUSGAPOXRT-BBRMVZONSA-N 1 0 283.371 3.875 10 10 CHCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)c(O)c1 ZINC000037074227 525940300 /nfs/dbraw/zinc/94/03/00/525940300.db2.gz JGEOLGOSKXFSCB-XJKSGUPXSA-N 1 0 283.371 3.875 10 10 CHCERO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000037074373 260066992 /nfs/dbraw/zinc/06/69/92/260066992.db2.gz POCUOUYKXOXGEN-AWEZNQCLSA-N 1 0 289.762 3.659 10 10 CHCERO CCCCc1sc(-c2ccc(N(C)C)cc2)[n+](C)c1C ZINC000005139118 170069971 /nfs/dbraw/zinc/06/99/71/170069971.db2.gz VTHRNRCTVWOUCG-UHFFFAOYSA-N 1 0 289.468 3.957 10 10 CHCERO C[n+]1ccc(CCn2c3ccccc3c3ccccc32)cc1 ZINC000005330478 170086376 /nfs/dbraw/zinc/08/63/76/170086376.db2.gz MXEZXMBFDVADGP-UHFFFAOYSA-N 1 0 287.386 3.862 10 10 CHCERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000020126237 171010632 /nfs/dbraw/zinc/01/06/32/171010632.db2.gz OZHFCYNBPCBDAF-STQMWFEESA-N 1 0 271.360 3.818 10 10 CHCERO C[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1O)c1cccs1 ZINC000020148358 171036025 /nfs/dbraw/zinc/03/60/25/171036025.db2.gz FHSJLEWONJCPQX-VHSXEESVSA-N 1 0 263.362 3.571 10 10 CHCERO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)cc1C ZINC000035052352 171953124 /nfs/dbraw/zinc/95/31/24/171953124.db2.gz VBMMRQLUASPYOH-INWMFGNUSA-N 1 0 261.409 3.918 10 10 CHCERO C[C@H]([NH3+])c1ccc(N(C)Cc2ccsc2)c(F)c1 ZINC000035719367 172374510 /nfs/dbraw/zinc/37/45/10/172374510.db2.gz OUOCHMLNIAVDTR-JTQLQIEISA-N 1 0 264.369 3.543 10 10 CHCERO C[C@@H]([NH2+]Cc1c(O)ccc2ccccc21)c1ccco1 ZINC000035739054 172393047 /nfs/dbraw/zinc/39/30/47/172393047.db2.gz AAFFXJQRARBTMG-GFCCVEGCSA-N 1 0 267.328 3.989 10 10 CHCERO C[NH2+][C@H](C)c1ccc(N(C)[C@H](C)C(C)C)c(F)c1 ZINC000036787509 172704978 /nfs/dbraw/zinc/70/49/78/172704978.db2.gz HNIVFRZZMQTCED-VXGBXAGGSA-N 1 0 252.377 3.587 10 10 CHCERO CC[NH2+][C@H](C)c1ccc(N(C)[C@@H](C)C(C)C)c(F)c1 ZINC000036787512 172705589 /nfs/dbraw/zinc/70/55/89/172705589.db2.gz JYHYWDJWAUGSDJ-OLZOCXBDSA-N 1 0 266.404 3.977 10 10 CHCERO CC[C@@H]([NH3+])[C@@H](Sc1nccs1)c1ccc(F)cc1 ZINC000042943994 174919394 /nfs/dbraw/zinc/91/93/94/174919394.db2.gz ADLRVAKWUJKLOU-NEPJUHHUSA-N 1 0 282.409 3.853 10 10 CHCERO CC[C@H]([NH3+])[C@@H](Sc1nccs1)c1ccc(F)cc1 ZINC000042943993 174919451 /nfs/dbraw/zinc/91/94/51/174919451.db2.gz ADLRVAKWUJKLOU-RYUDHWBXSA-N 1 0 282.409 3.853 10 10 CHCERO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000071406415 176156030 /nfs/dbraw/zinc/15/60/30/176156030.db2.gz DOZOABBJCHYAGX-AWEZNQCLSA-N 1 0 255.361 3.860 10 10 CHCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ncc(C)s2)c1 ZINC000123904980 327973601 /nfs/dbraw/zinc/97/36/01/327973601.db2.gz QTVXMCOUSOCIFR-GHMZBOCLSA-N 1 0 292.404 3.578 10 10 CHCERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000188952919 329376128 /nfs/dbraw/zinc/37/61/28/329376128.db2.gz MWBXITRCZKKNRT-KRWDZBQOSA-N 1 0 295.382 3.543 10 10 CHCERO CC[NH2+]Cc1ccc(N(CC)C2CCCC2)c(C)c1 ZINC000050560326 519998508 /nfs/dbraw/zinc/99/85/08/519998508.db2.gz ROOTYLQUNRZNGH-UHFFFAOYSA-N 1 0 260.425 3.873 10 10 CHCERO CCC[NH2+][C@H](C)c1ccc(N(C)CC)c(Br)c1 ZINC000061694730 520065619 /nfs/dbraw/zinc/06/56/19/520065619.db2.gz CCRFCXNYSVPAAW-LLVKDONJSA-N 1 0 299.256 3.966 10 10 CHCERO CCCN(CC(F)(F)F)c1ccc(C[NH3+])cc1Cl ZINC000062793118 521587454 /nfs/dbraw/zinc/58/74/54/521587454.db2.gz BGVAGGJRUCODCL-UHFFFAOYSA-N 1 0 280.721 3.577 10 10 CHCERO CCCN(CC)c1c(F)cc(C[NH2+]C(C)C)cc1F ZINC000062710253 521616019 /nfs/dbraw/zinc/61/60/19/521616019.db2.gz MABLQATWOSHMEC-UHFFFAOYSA-N 1 0 270.367 3.699 10 10 CHCERO CCCN(CC)c1ccc([C@@H](C)[NH2+]C)cc1Br ZINC000061694832 521617507 /nfs/dbraw/zinc/61/75/07/521617507.db2.gz QIOZTMKHUNYCFF-LLVKDONJSA-N 1 0 299.256 3.966 10 10 CHCERO CCCN(c1ccc([C@@H](C)[NH2+]C)cc1Cl)C1CC1 ZINC000061694848 521697304 /nfs/dbraw/zinc/69/73/04/521697304.db2.gz SZYRZCMNWUDDDR-LLVKDONJSA-N 1 0 266.816 3.999 10 10 CHCERO CC[C@H]1CCCN(c2ccc([C@@H](C)[NH3+])cc2Cl)C1 ZINC000061695459 523095564 /nfs/dbraw/zinc/09/55/64/523095564.db2.gz KERYFNXMVZBZMY-NEPJUHHUSA-N 1 0 266.816 3.986 10 10 CHCERO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000036953029 524752452 /nfs/dbraw/zinc/75/24/52/524752452.db2.gz BEOFAOXBWUNMKZ-JTQLQIEISA-N 1 0 293.313 3.530 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N(C)CC(C)(C)C)c(Cl)c1 ZINC000061698026 525026105 /nfs/dbraw/zinc/02/61/05/525026105.db2.gz IQHPMORQUNRPMO-SNVBAGLBSA-N 1 0 254.805 3.842 10 10 CHCERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1cc(F)ccc1O ZINC000094617405 525576193 /nfs/dbraw/zinc/57/61/93/525576193.db2.gz WHHVHZKDGNPILL-XHDPSFHLSA-N 1 0 287.334 3.706 10 10 CHCERO COc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2C)c1O ZINC000037772075 526031793 /nfs/dbraw/zinc/03/17/93/526031793.db2.gz FICYFIKTSZGTEA-AWEZNQCLSA-N 1 0 285.387 3.868 10 10 CHCERO C[C@@H]([NH2+]C/C=C\c1ccccc1)c1cc(F)ccc1O ZINC000588449442 1118791296 /nfs/dbraw/zinc/79/12/96/1118791296.db2.gz PIECKWORKGEWGM-DMTLFAOVSA-N 1 0 271.335 3.895 10 10 CHCERO CC(C)C[C@@H](C)N(C)c1ccc([C@H](C)[NH3+])cc1F ZINC000103953337 185867783 /nfs/dbraw/zinc/86/77/83/185867783.db2.gz VHHVNXZJDBNKPX-NEPJUHHUSA-N 1 0 252.377 3.716 10 10 CHCERO C[C@H]([NH2+][C@@H](C)c1ccc(O)cc1O)c1cccs1 ZINC000020148307 171036322 /nfs/dbraw/zinc/03/63/22/171036322.db2.gz OKKFALFLCROQTR-UWVGGRQHSA-N 1 0 263.362 3.571 10 10 CHCERO Cc1ccc(CN(C)c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000020264684 171121888 /nfs/dbraw/zinc/12/18/88/171121888.db2.gz GWSHSXRLVKTAFA-AWEZNQCLSA-N 1 0 254.377 3.651 10 10 CHCERO Cc1cc([C@H](C)[NH2+]Cc2ccc(O)c(O)c2)c(C)s1 ZINC000035252994 172082349 /nfs/dbraw/zinc/08/23/49/172082349.db2.gz MFOKWTGQQQUTQH-JTQLQIEISA-N 1 0 277.389 3.627 10 10 CHCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ncc(C)s2)c1 ZINC000123905187 327973579 /nfs/dbraw/zinc/97/35/79/327973579.db2.gz QTVXMCOUSOCIFR-MNOVXSKESA-N 1 0 292.404 3.578 10 10 CHCERO CC[NH2+]Cc1ccc(N2CCC(C)(C)CC2)c(F)c1 ZINC000061820870 519997610 /nfs/dbraw/zinc/99/76/10/519997610.db2.gz PDVYIRRUYMTNFQ-UHFFFAOYSA-N 1 0 264.388 3.562 10 10 CHCERO C[NH2+][C@@H](C)c1ccc(N(C)CC(C)C)c(Cl)c1 ZINC000061694895 522332989 /nfs/dbraw/zinc/33/29/89/522332989.db2.gz MHRGQYPKLXPXDP-NSHDSACASA-N 1 0 254.805 3.713 10 10 CHCERO CC[C@H](C)N(C)c1ccc(C[NH2+]C(C)(C)C)cc1F ZINC000062735412 523924754 /nfs/dbraw/zinc/92/47/54/523924754.db2.gz JBKTZCCIJNJMBL-LBPRGKRZSA-N 1 0 266.404 3.949 10 10 CHCERO C[C@@H]([NH2+][C@H](C)C1CCCCC1)c1cc(O)ccc1O ZINC000052332672 525655692 /nfs/dbraw/zinc/65/56/92/525655692.db2.gz VSKPJNYHMVZOGF-VXGBXAGGSA-N 1 0 263.381 3.717 10 10 CHCERO COc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2C)c1O ZINC000037772074 526037566 /nfs/dbraw/zinc/03/75/66/526037566.db2.gz FICYFIKTSZGTEA-CQSZACIVSA-N 1 0 285.387 3.868 10 10 CHCERO CCC(CC)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1O ZINC000104443153 186004076 /nfs/dbraw/zinc/00/40/76/186004076.db2.gz CSUZRHCHMPYBSB-RYUDHWBXSA-N 1 0 265.397 3.876 10 10 CHCERO CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccc(O)cc1O ZINC000020122923 171003625 /nfs/dbraw/zinc/00/36/25/171003625.db2.gz ODKQEBXHAYFGHG-NWDGAFQWSA-N 1 0 251.370 3.573 10 10 CHCERO C[C@H]([NH2+]Cc1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000020124187 171006489 /nfs/dbraw/zinc/00/64/89/171006489.db2.gz QOBIVFMUHRWLAS-JTQLQIEISA-N 1 0 277.751 3.602 10 10 CHCERO CCOc1cccc(C[NH2+][C@H]2CCc3ccccc32)c1O ZINC000020129768 171018534 /nfs/dbraw/zinc/01/85/34/171018534.db2.gz HOPFTPJWVTZHOY-INIZCTEOSA-N 1 0 283.371 3.568 10 10 CHCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cccs2)c1 ZINC000020148372 171036066 /nfs/dbraw/zinc/03/60/66/171036066.db2.gz YMFUDVRVHGXNOY-MNOVXSKESA-N 1 0 277.389 3.874 10 10 CHCERO C[C@@H]([NH2+][C@H](C)c1cc(O)ccc1O)c1cccs1 ZINC000020148360 171036332 /nfs/dbraw/zinc/03/63/32/171036332.db2.gz FHSJLEWONJCPQX-NXEZZACHSA-N 1 0 263.362 3.571 10 10 CHCERO CC[NH2+]Cc1ccc(N(C)C2CCCCCC2)cc1 ZINC000036328846 172613266 /nfs/dbraw/zinc/61/32/66/172613266.db2.gz ISFCVCYXKQTHHG-UHFFFAOYSA-N 1 0 260.425 3.955 10 10 CHCERO CCC[NH+](CCC)[C@@H](CN)c1ccc(N(CC)CC)cc1 ZINC000039789114 174173520 /nfs/dbraw/zinc/17/35/20/174173520.db2.gz PLOFVCDSNPWWFM-SFHVURJKSA-N 1 0 291.483 3.655 10 10 CHCERO C[NH2+]Cc1ccc(N(C)[C@H]2CCCC[C@@H]2C)c(F)c1 ZINC000042609476 174822842 /nfs/dbraw/zinc/82/28/42/174822842.db2.gz GNIQLDSWWGBEIS-WFASDCNBSA-N 1 0 264.388 3.560 10 10 CHCERO CC[C@@H](c1ccccc1O)[N@@H+]1CCCC[C@H](COC)C1 ZINC000377630555 329021845 /nfs/dbraw/zinc/02/18/45/329021845.db2.gz UWSVAWXCPXSZPK-HOCLYGCPSA-N 1 0 277.408 3.592 10 10 CHCERO C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)c1ccccc1O ZINC000248383688 329890784 /nfs/dbraw/zinc/89/07/84/329890784.db2.gz AYVOWCXRBMOLRH-HEHGZKQESA-N 1 0 283.371 3.608 10 10 CHCERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(Cl)ccc1O ZINC000248479754 329894408 /nfs/dbraw/zinc/89/44/08/329894408.db2.gz AASAGWINFRAWIS-JPYFCXBMSA-N 1 0 295.810 3.654 10 10 CHCERO CC(C)C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)cc1 ZINC000062734362 519747075 /nfs/dbraw/zinc/74/70/75/519747075.db2.gz QUYZUFFEJUUFCS-HNNXBMFYSA-N 1 0 260.425 3.669 10 10 CHCERO CC(C)C[NH2+]Cc1ccc(N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000062734630 519747426 /nfs/dbraw/zinc/74/74/26/519747426.db2.gz WOQWIJIXVWSKOO-IYBDPMFKSA-N 1 0 274.452 3.915 10 10 CHCERO CC[NH2+]Cc1cc(F)c(N(C)C(CC)CC)c(F)c1 ZINC000062711006 519993444 /nfs/dbraw/zinc/99/34/44/519993444.db2.gz VTXVXIDXVVYKHY-UHFFFAOYSA-N 1 0 270.367 3.699 10 10 CHCERO CCCCCN(c1c(F)cc(C[NH3+])cc1F)C(C)C ZINC000062713365 520178177 /nfs/dbraw/zinc/17/81/77/520178177.db2.gz VPUHPQJWCPCNHX-UHFFFAOYSA-N 1 0 270.367 3.829 10 10 CHCERO CCN(c1ccc(C[NH2+]CC(C)C)cc1C)C(C)C ZINC000062735156 521488376 /nfs/dbraw/zinc/48/83/76/521488376.db2.gz XZUTZPYQNNPKOH-UHFFFAOYSA-N 1 0 262.441 3.975 10 10 CHCERO CN(c1ccc(C[NH2+]C(C)(C)C)cc1)C1CCCC1 ZINC000062735225 523636064 /nfs/dbraw/zinc/63/60/64/523636064.db2.gz VZIZFYQUJKUXTO-UHFFFAOYSA-N 1 0 260.425 3.954 10 10 CHCERO CCc1ccc([C@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000036958406 524046295 /nfs/dbraw/zinc/04/62/95/524046295.db2.gz HULQIUWCWSUHMA-ZDUSSCGKSA-N 1 0 255.361 3.805 10 10 CHCERO CCc1ccc([C@H](C)[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000036958354 524046430 /nfs/dbraw/zinc/04/64/30/524046430.db2.gz ONGUBRQQOJVPPQ-ZDUSSCGKSA-N 1 0 285.387 3.814 10 10 CHCERO Cc1cc(N2CCC[C@H]2C)ccc1C[NH2+]CC(C)C ZINC000062736491 525072660 /nfs/dbraw/zinc/07/26/60/525072660.db2.gz DDMAIMRILOXEAR-OAHLLOKOSA-N 1 0 260.425 3.729 10 10 CHCERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1cc(F)ccc1O ZINC000094617406 525648919 /nfs/dbraw/zinc/64/89/19/525648919.db2.gz WHHVHZKDGNPILL-IAQYHMDHSA-N 1 0 287.334 3.706 10 10 CHCERO C[C@@H]([NH2+]Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000020121899 171001104 /nfs/dbraw/zinc/00/11/04/171001104.db2.gz AHNJLWRKDRPAJN-LLVKDONJSA-N 1 0 261.752 3.896 10 10 CHCERO C[C@H]([NH2+]Cc1c(O)ccc2ccccc21)c1ccccn1 ZINC000020123305 171003942 /nfs/dbraw/zinc/00/39/42/171003942.db2.gz ARVQJBPUHZHQRF-ZDUSSCGKSA-N 1 0 278.355 3.791 10 10 CHCERO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(F)c2)c(O)c1 ZINC000020148084 171035859 /nfs/dbraw/zinc/03/58/59/171035859.db2.gz DAYURFHRUISXGN-NEPJUHHUSA-N 1 0 289.350 3.952 10 10 CHCERO CC[C@@H](CO)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000031847504 171649720 /nfs/dbraw/zinc/64/97/20/171649720.db2.gz XYQPCAFCAXSBJT-LBPRGKRZSA-N 1 0 266.344 3.571 10 10 CHCERO CCN(CC(C)C)c1ccc([C@H](C)[NH2+]C)cc1F ZINC000034841627 171885069 /nfs/dbraw/zinc/88/50/69/171885069.db2.gz BXPAEIVEVNFTSN-LBPRGKRZSA-N 1 0 252.377 3.588 10 10 CHCERO C[N@H+](Cc1ccc(Cl)s1)Cc1ccc(N)cc1 ZINC000035360448 172151436 /nfs/dbraw/zinc/15/14/36/172151436.db2.gz TYNIVCLMBICQEG-UHFFFAOYSA-N 1 0 266.797 3.616 10 10 CHCERO C[NH2+][C@H](C)c1ccc(N(C)Cc2ccc(C)o2)cc1 ZINC000035699838 172367820 /nfs/dbraw/zinc/36/78/20/172367820.db2.gz QRIKPUJGDJPDHA-CYBMUJFWSA-N 1 0 258.365 3.505 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N(C)Cc2cccs2)c(F)c1 ZINC000035717712 172372096 /nfs/dbraw/zinc/37/20/96/172372096.db2.gz UQRSMQLQXUXGIP-SNVBAGLBSA-N 1 0 264.369 3.543 10 10 CHCERO C[NH2+][C@H](C)c1ccc(N(C)Cc2ccsc2)cc1 ZINC000035719346 172374213 /nfs/dbraw/zinc/37/42/13/172374213.db2.gz YETOBWPRGYYSCE-GFCCVEGCSA-N 1 0 260.406 3.665 10 10 CHCERO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1cc(Br)ccc1O ZINC000035733200 172384517 /nfs/dbraw/zinc/38/45/17/172384517.db2.gz BCRSPFJSADGZKC-TVQRCGJNSA-N 1 0 298.224 3.994 10 10 CHCERO CC[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccccc1O ZINC000037074301 260067004 /nfs/dbraw/zinc/06/70/04/260067004.db2.gz MJGASHKWFQUKEQ-HZPDHXFCSA-N 1 0 283.371 3.957 10 10 CHCERO Cc1csc([C@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC000179567143 329209905 /nfs/dbraw/zinc/20/99/05/329209905.db2.gz ULELZCKOHKJPLS-AWEZNQCLSA-N 1 0 288.416 3.537 10 10 CHCERO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2COc3ccccc32)c(O)c1 ZINC000248520334 329891238 /nfs/dbraw/zinc/89/12/38/329891238.db2.gz QXLIDXLUKWDVSC-JJRVBVJISA-N 1 0 297.398 3.916 10 10 CHCERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1ccccc1O ZINC000248585253 329895081 /nfs/dbraw/zinc/89/50/81/329895081.db2.gz XJWSWROGSVCAOU-GVDBMIGSSA-N 1 0 299.418 3.813 10 10 CHCERO CCC[NH2+]Cc1cc(F)c(N(C)[C@H](C)CC)c(F)c1 ZINC000062710346 519947817 /nfs/dbraw/zinc/94/78/17/519947817.db2.gz TVFVZNYXOPMKKJ-LLVKDONJSA-N 1 0 270.367 3.699 10 10 CHCERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1ccccc1O ZINC000156168707 522713348 /nfs/dbraw/zinc/71/33/48/522713348.db2.gz XJWSWROGSVCAOU-BBWFWOEESA-N 1 0 299.418 3.813 10 10 CHCERO CCc1ccc([C@@H](C)[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000036958353 524025203 /nfs/dbraw/zinc/02/52/03/524025203.db2.gz ONGUBRQQOJVPPQ-CYBMUJFWSA-N 1 0 285.387 3.814 10 10 CHCERO C[C@@H]([NH2+]C1CC1)c1ccc(N2CCC[C@H](C)C2)c(F)c1 ZINC000020569969 570408373 /nfs/dbraw/zinc/40/83/73/570408373.db2.gz WEXRXUMXZRZOCT-QWHCGFSZSA-N 1 0 276.399 3.875 10 10 CHCERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1O ZINC000104443150 186004391 /nfs/dbraw/zinc/00/43/91/186004391.db2.gz CSUZRHCHMPYBSB-NEPJUHHUSA-N 1 0 265.397 3.876 10 10 CHCERO C[C@@H]([NH2+]Cc1ccc(O)cc1O)c1cccc(Cl)c1 ZINC000020124196 171006178 /nfs/dbraw/zinc/00/61/78/171006178.db2.gz UOQJEMCUFNNZGV-SNVBAGLBSA-N 1 0 277.751 3.602 10 10 CHCERO C[C@H]([NH2+][C@@H](C)c1cc(O)ccc1O)c1cccc(F)c1 ZINC000020147917 171035177 /nfs/dbraw/zinc/03/51/77/171035177.db2.gz ZWAOEUCBPPHNFR-QWRGUYRKSA-N 1 0 275.323 3.649 10 10 CHCERO CC[NH2+][C@H](C)c1ccc(N(C)[C@@H](C)CC)c(F)c1 ZINC000034841577 171885274 /nfs/dbraw/zinc/88/52/74/171885274.db2.gz NDPHZINMCUGCIV-NWDGAFQWSA-N 1 0 252.377 3.731 10 10 CHCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccncc2)c1 ZINC000035628760 172308086 /nfs/dbraw/zinc/30/80/86/172308086.db2.gz LJPAVKFIEZBHRE-OLZOCXBDSA-N 1 0 256.349 3.507 10 10 CHCERO C[NH2+][C@H](C)c1ccc(N(C)Cc2cccs2)cc1 ZINC000035717666 172371025 /nfs/dbraw/zinc/37/10/25/172371025.db2.gz FVXZGDNDXHNEDS-GFCCVEGCSA-N 1 0 260.406 3.665 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N(C)Cc2ccsc2)c(F)c1 ZINC000035719368 172373674 /nfs/dbraw/zinc/37/36/74/172373674.db2.gz OUOCHMLNIAVDTR-SNVBAGLBSA-N 1 0 264.369 3.543 10 10 CHCERO C[NH2+][C@@H](C)c1ccc(N(C)Cc2ccsc2)c(F)c1 ZINC000035719357 172374194 /nfs/dbraw/zinc/37/41/94/172374194.db2.gz VPOJTCCWKPVQEJ-NSHDSACASA-N 1 0 278.396 3.804 10 10 CHCERO C[C@H]([NH2+]Cc1c(O)ccc2ccccc21)c1ccco1 ZINC000035739053 172393594 /nfs/dbraw/zinc/39/35/94/172393594.db2.gz AAFFXJQRARBTMG-LBPRGKRZSA-N 1 0 267.328 3.989 10 10 CHCERO Cc1cc(C)cc(C[N@H+](C)Cc2ccc(N)cc2)c1 ZINC000038076866 174087622 /nfs/dbraw/zinc/08/76/22/174087622.db2.gz MFHTVTRYROALFC-UHFFFAOYSA-N 1 0 254.377 3.518 10 10 CHCERO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2[O-])c(C)c1 ZINC000165022108 331305686 /nfs/dbraw/zinc/30/56/86/331305686.db2.gz YLTBGFGOYXNXHV-CYBMUJFWSA-N 1 0 273.351 3.999 10 10 CHCERO CC[NH2+]Cc1cc(F)c(N(CC)[C@H](C)CC)c(F)c1 ZINC000062710388 519993709 /nfs/dbraw/zinc/99/37/09/519993709.db2.gz KANVFVRJGGXVAI-LLVKDONJSA-N 1 0 270.367 3.699 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N2CCC(C)CC2)c(Br)c1 ZINC000061693880 525026257 /nfs/dbraw/zinc/02/62/57/525026257.db2.gz OQHFJIGBXGTBMI-LLVKDONJSA-N 1 0 297.240 3.705 10 10 CHCERO Cc1cc(N(C)Cc2ccccc2Cl)ccc1C[NH3+] ZINC000050583098 525028173 /nfs/dbraw/zinc/02/81/73/525028173.db2.gz MWKCWSFZXGJLFS-UHFFFAOYSA-N 1 0 274.795 3.744 10 10 CHCERO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccsc2)c(O)c1 ZINC000061360946 525334732 /nfs/dbraw/zinc/33/47/32/525334732.db2.gz MVFDBPCCRVNCGC-MNOVXSKESA-N 1 0 277.389 3.874 10 10 CHCERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccccc1O ZINC000037074395 525647677 /nfs/dbraw/zinc/64/76/77/525647677.db2.gz WNNCNQGTSYYWAA-IUODEOHRSA-N 1 0 269.344 3.567 10 10 CHCERO C[C@H](c1cccc(Cl)c1)N(C)c1ccc(C[NH3+])cc1 ZINC000062012110 526076933 /nfs/dbraw/zinc/07/69/33/526076933.db2.gz HJQXUUFUNJMEJQ-GFCCVEGCSA-N 1 0 274.795 3.996 10 10 CHCERO C[C@H]([NH3+])c1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000103965729 567218529 /nfs/dbraw/zinc/21/85/29/567218529.db2.gz UJXVWWBICGDKGY-QWRGUYRKSA-N 1 0 252.789 3.596 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000058826240 567217973 /nfs/dbraw/zinc/21/79/73/567217973.db2.gz UJXVWWBICGDKGY-GHMZBOCLSA-N 1 0 252.789 3.596 10 10 CHCERO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cc(C)ccc2O)cs1 ZINC000189940961 1126936768 /nfs/dbraw/zinc/93/67/68/1126936768.db2.gz PCQJHBMVDRQZPB-HNNXBMFYSA-N 1 0 288.416 3.803 10 10 CHCERO C[C@H]([NH2+]C1CC1)c1ccc(N2CCC[C@H](C)C2)c(F)c1 ZINC000253495334 136593627 /nfs/dbraw/zinc/59/36/27/136593627.db2.gz WEXRXUMXZRZOCT-STQMWFEESA-N 1 0 276.399 3.875 10 10 CHCERO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000020126368 171010230 /nfs/dbraw/zinc/01/02/30/171010230.db2.gz OICYUGLQFFLLSF-ZDUSSCGKSA-N 1 0 271.360 3.560 10 10 CHCERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cc(O)ccc1O ZINC000020126238 171010563 /nfs/dbraw/zinc/01/05/63/171010563.db2.gz OZHFCYNBPCBDAF-CHWSQXEVSA-N 1 0 271.360 3.818 10 10 CHCERO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cccs2)c1 ZINC000020148375 171035838 /nfs/dbraw/zinc/03/58/38/171035838.db2.gz YMFUDVRVHGXNOY-WDEREUQCSA-N 1 0 277.389 3.874 10 10 CHCERO CCCC[NH2+][C@H](C)c1ccc(N2CCCC2)c(F)c1 ZINC000020583067 171257432 /nfs/dbraw/zinc/25/74/32/171257432.db2.gz XQBSWQFCPVGRPJ-CYBMUJFWSA-N 1 0 264.388 3.877 10 10 CHCERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035256801 172087648 /nfs/dbraw/zinc/08/76/48/172087648.db2.gz UQPMBDVUSXKESL-NVXWUHKLSA-N 1 0 260.425 3.811 10 10 CHCERO CC[NH2+][C@@H](C)c1ccc(N(CC(C)C)C2CC2)cc1 ZINC000042557686 174794172 /nfs/dbraw/zinc/79/41/72/174794172.db2.gz HFUIFUHJDKCEIB-AWEZNQCLSA-N 1 0 260.425 3.982 10 10 CHCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000185627820 329328094 /nfs/dbraw/zinc/32/80/94/329328094.db2.gz WPSOVWOOILQZBT-XIRDDKMYSA-N 1 0 299.418 3.732 10 10 CHCERO Cc1ccc(O)c(C[NH2+][C@H]2CCOc3c(C)cccc32)c1 ZINC000188951638 329376058 /nfs/dbraw/zinc/37/60/58/329376058.db2.gz ZIVJYROHIHGEEH-INIZCTEOSA-N 1 0 283.371 3.622 10 10 CHCERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(C)c(C)cc1O ZINC000188950310 329376207 /nfs/dbraw/zinc/37/62/07/329376207.db2.gz VFGDNWAKGBWTBB-KRWDZBQOSA-N 1 0 297.398 3.931 10 10 CHCERO CCCC1CCN(c2ccc([C@H](C)[NH2+]C)cc2)CC1 ZINC000050893929 519904058 /nfs/dbraw/zinc/90/40/58/519904058.db2.gz CQJUECKOXKGWAD-AWEZNQCLSA-N 1 0 260.425 3.984 10 10 CHCERO CCCC1CCN(c2ccc(C[NH3+])cc2Cl)CC1 ZINC000062793148 519904063 /nfs/dbraw/zinc/90/40/63/519904063.db2.gz RXKNNBWPHPOYKA-UHFFFAOYSA-N 1 0 266.816 3.815 10 10 CHCERO CCCC1CCN(c2ccc([C@@H](C)[NH3+])cc2F)CC1 ZINC000050893916 519904170 /nfs/dbraw/zinc/90/41/70/519904170.db2.gz LOVWILVUWUSNEJ-GFCCVEGCSA-N 1 0 264.388 3.862 10 10 CHCERO CCC[NH2+]Cc1ccc(N2CCC[C@@H]2CC)cc1C ZINC000050582777 519950413 /nfs/dbraw/zinc/95/04/13/519950413.db2.gz MGKVLHXOFRFMTE-INIZCTEOSA-N 1 0 260.425 3.873 10 10 CHCERO CC[NH2+][C@@H](C)c1ccc(N(CC)C2CC2)c(Cl)c1 ZINC000061694738 520075933 /nfs/dbraw/zinc/07/59/33/520075933.db2.gz YEYNKCVMMVGABD-NSHDSACASA-N 1 0 266.816 3.999 10 10 CHCERO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(C)o2)c1O ZINC000036960265 521370217 /nfs/dbraw/zinc/37/02/17/521370217.db2.gz VOAUNWHSSUQUBU-LBPRGKRZSA-N 1 0 275.348 3.543 10 10 CHCERO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cccc(O)c2)c1 ZINC000037151387 524775562 /nfs/dbraw/zinc/77/55/62/524775562.db2.gz JIQPTUJYYFTXIK-NEPJUHHUSA-N 1 0 287.359 3.518 10 10 CHCERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1cc(F)ccc1O ZINC000094617408 525688728 /nfs/dbraw/zinc/68/87/28/525688728.db2.gz WHHVHZKDGNPILL-ABAIWWIYSA-N 1 0 287.334 3.706 10 10 CHCERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)o1 ZINC000094617240 525941197 /nfs/dbraw/zinc/94/11/97/525941197.db2.gz GXBDXFJSFDEQTM-MNOVXSKESA-N 1 0 263.312 3.845 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N2CCCC[C@H]2C)c(Cl)c1 ZINC000058826230 567217772 /nfs/dbraw/zinc/21/77/72/567217772.db2.gz FNOKOPBZRZBKDL-GHMZBOCLSA-N 1 0 252.789 3.739 10 10 CHCERO CCC[NH2+]Cc1ccc(N(C)CC(C)(C)C)c(C)c1 ZINC000104160284 185914573 /nfs/dbraw/zinc/91/45/73/185914573.db2.gz KONABYXPXUAZBK-UHFFFAOYSA-N 1 0 262.441 3.977 10 10 CHCERO C[C@H]([NH3+])Cc1c(Cl)cccc1Sc1nccs1 ZINC000104434749 186001135 /nfs/dbraw/zinc/00/11/35/186001135.db2.gz LHIIMZIVOGILTO-QMMMGPOBSA-N 1 0 284.837 3.837 10 10 CHCERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccncc2)c(O)c1 ZINC000020121763 171001045 /nfs/dbraw/zinc/00/10/45/171001045.db2.gz LVGQPXJFEPVEPH-OLZOCXBDSA-N 1 0 256.349 3.507 10 10 CHCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)c1ccncc1 ZINC000020121493 171001498 /nfs/dbraw/zinc/00/14/98/171001498.db2.gz YIQAKANNWRWZKG-IPYPFGDCSA-N 1 0 282.387 3.995 10 10 CHCERO CC(C)CC[C@H](C)[NH2+][C@H](C)c1cc(O)ccc1O ZINC000020122929 171003560 /nfs/dbraw/zinc/00/35/60/171003560.db2.gz AQUWLTQOCMPKIZ-NWDGAFQWSA-N 1 0 251.370 3.573 10 10 CHCERO COc1ccc(O)c(C[NH2+][C@@H](C)c2cccc(Cl)c2)c1 ZINC000020124328 171006648 /nfs/dbraw/zinc/00/66/48/171006648.db2.gz XFYMTMBKPOOTSI-NSHDSACASA-N 1 0 291.778 3.905 10 10 CHCERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000020126208 171010579 /nfs/dbraw/zinc/01/05/79/171010579.db2.gz LXVLOVUMZANBOZ-OLZOCXBDSA-N 1 0 271.360 3.818 10 10 CHCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cccs2)c1 ZINC000020148373 171035928 /nfs/dbraw/zinc/03/59/28/171035928.db2.gz YMFUDVRVHGXNOY-QWRGUYRKSA-N 1 0 277.389 3.874 10 10 CHCERO CCC[NH2+][C@H](C)c1ccc(N(CC)CC)c(F)c1 ZINC000034666760 171855366 /nfs/dbraw/zinc/85/53/66/171855366.db2.gz IFUJAHIPWVVGFV-GFCCVEGCSA-N 1 0 252.377 3.733 10 10 CHCERO CCCCN(C)c1ccc([C@H](C)[NH2+]CC)cc1F ZINC000034838785 171883911 /nfs/dbraw/zinc/88/39/11/171883911.db2.gz VMVLEKDMLDFCAQ-LBPRGKRZSA-N 1 0 252.377 3.733 10 10 CHCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccncc2)c1 ZINC000035628757 172308336 /nfs/dbraw/zinc/30/83/36/172308336.db2.gz LJPAVKFIEZBHRE-QWHCGFSZSA-N 1 0 256.349 3.507 10 10 CHCERO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccc(N(C)C)cc1 ZINC000037201511 173025163 /nfs/dbraw/zinc/02/51/63/173025163.db2.gz APPDCVQIOLIZOV-NPCAHTBFSA-N 1 0 260.425 3.982 10 10 CHCERO C[NH2+][C@@H](C)c1ccc(N(CC(C)C)C(C)C)c(F)c1 ZINC000042584828 174807509 /nfs/dbraw/zinc/80/75/09/174807509.db2.gz RPQWIYBCHMNWQI-ZDUSSCGKSA-N 1 0 266.404 3.977 10 10 CHCERO C[C@H]([NH3+])[C@@H](Sc1nccs1)c1cccc(Cl)c1 ZINC000043019644 174944880 /nfs/dbraw/zinc/94/48/80/174944880.db2.gz OUNMLDGTUILOJW-GZMMTYOYSA-N 1 0 284.837 3.977 10 10 CHCERO CC[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1O ZINC000037074302 260067020 /nfs/dbraw/zinc/06/70/20/260067020.db2.gz MJGASHKWFQUKEQ-HOTGVXAUSA-N 1 0 283.371 3.957 10 10 CHCERO CC[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccccc1O ZINC000037074300 260067023 /nfs/dbraw/zinc/06/70/23/260067023.db2.gz MJGASHKWFQUKEQ-JKSUJKDBSA-N 1 0 283.371 3.957 10 10 CHCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ncc(C)s2)c1 ZINC000123904806 327973648 /nfs/dbraw/zinc/97/36/48/327973648.db2.gz QTVXMCOUSOCIFR-QWRGUYRKSA-N 1 0 292.404 3.578 10 10 CHCERO CC[C@H](c1ccccc1O)[N@@H+]1CCCC[C@H](COC)C1 ZINC000377630552 329021918 /nfs/dbraw/zinc/02/19/18/329021918.db2.gz UWSVAWXCPXSZPK-GOEBONIOSA-N 1 0 277.408 3.592 10 10 CHCERO Cc1cccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1O ZINC000179963486 329213975 /nfs/dbraw/zinc/21/39/75/329213975.db2.gz MDOINXFXFSWTKQ-AWEZNQCLSA-N 1 0 288.416 3.537 10 10 CHCERO CC[NH2+]Cc1ccc(N(C)[C@@H](C)C(C)(C)C)c(C)c1 ZINC000050562176 519997750 /nfs/dbraw/zinc/99/77/50/519997750.db2.gz URDNXCMDXHTRGB-AWEZNQCLSA-N 1 0 262.441 3.975 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N2CCCCCC2)c(Br)c1 ZINC000061694054 525026422 /nfs/dbraw/zinc/02/64/22/525026422.db2.gz DKGWYDRJJNCTOO-LLVKDONJSA-N 1 0 297.240 3.849 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000058826248 525026667 /nfs/dbraw/zinc/02/66/67/525026667.db2.gz YRRGFDRZLPZQRH-LLVKDONJSA-N 1 0 252.789 3.596 10 10 CHCERO [NH3+]Cc1ccc(N(Cc2ccsc2)C2CC2)c(F)c1 ZINC000048952302 527254452 /nfs/dbraw/zinc/25/44/52/527254452.db2.gz CIGKQHKQWUPHBM-UHFFFAOYSA-N 1 0 276.380 3.515 10 10 CHCERO CCN(CC)c1ccc(C[NH2+]Cc2ccccc2OC)cc1 ZINC000013720630 567942068 /nfs/dbraw/zinc/94/20/68/567942068.db2.gz MWFIQXMWLYLHOM-UHFFFAOYSA-N 1 0 298.430 3.831 10 10 CHCERO CC[C@H](C)[N@H+](Cc1ccncc1)Cc1cccc(C)c1O ZINC000055120153 570240869 /nfs/dbraw/zinc/24/08/69/570240869.db2.gz YKXBHTVTKBKMBX-HNNXBMFYSA-N 1 0 284.403 3.896 10 10 CHCERO C[C@H]([NH2+]Cc1cccnc1)c1ccc(N2CCCC2)c(F)c1 ZINC000020550925 570408324 /nfs/dbraw/zinc/40/83/24/570408324.db2.gz BAAXYGLNXRQBAB-AWEZNQCLSA-N 1 0 299.393 3.672 10 10 CHCERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1 ZINC000193002819 1123869623 /nfs/dbraw/zinc/86/96/23/1123869623.db2.gz ZCZILMSRDJXKIZ-KDOFPFPSSA-N 1 0 296.414 3.927 10 10 CHCERO CCCC[NH2+][C@@H](C)c1cc(NC(=O)CCC)ccc1O ZINC000019907094 170919193 /nfs/dbraw/zinc/91/91/93/170919193.db2.gz JHTRXIIVUOKIRF-LBPRGKRZSA-N 1 0 278.396 3.582 10 10 CHCERO C[C@H]([NH2+]Cc1c(O)ccc2ccccc21)c1ccncc1 ZINC000020121169 171000300 /nfs/dbraw/zinc/00/03/00/171000300.db2.gz UMDZTRNWQDOXSF-ZDUSSCGKSA-N 1 0 278.355 3.791 10 10 CHCERO C[C@H]([NH2+]Cc1ccc(O)cc1O)c1ccccc1Cl ZINC000020124015 171005649 /nfs/dbraw/zinc/00/56/49/171005649.db2.gz ZDWOFJBNAAWUKK-JTQLQIEISA-N 1 0 277.751 3.602 10 10 CHCERO C[NH2+][C@H](C)c1ccc(N(C)C2CCCCC2)c(F)c1 ZINC000034839216 171883332 /nfs/dbraw/zinc/88/33/32/171883332.db2.gz RMBBSJUTOFUWEY-GFCCVEGCSA-N 1 0 264.388 3.875 10 10 CHCERO [O-]c1c(F)cccc1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000165016083 331305594 /nfs/dbraw/zinc/30/55/94/331305594.db2.gz WZZIGRZACNFNGQ-MNOVXSKESA-N 1 0 291.288 3.742 10 10 CHCERO CCC[C@H](C)N(C)c1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061695402 521035475 /nfs/dbraw/zinc/03/54/75/521035475.db2.gz HFDDHAQBQJTHKC-WDEREUQCSA-N 1 0 254.805 3.985 10 10 CHCERO CC(C)(C)C1CCN(c2ccc(C[NH3+])cc2F)CC1 ZINC000050345248 518609270 /nfs/dbraw/zinc/60/92/70/518609270.db2.gz VICJTWSPZGFUMI-UHFFFAOYSA-N 1 0 264.388 3.547 10 10 CHCERO CC[NH2+]Cc1ccc(N2CCCC[C@@H]2CC)c(C)c1 ZINC000050560109 519997880 /nfs/dbraw/zinc/99/78/80/519997880.db2.gz CPIZCQISVPSWNG-INIZCTEOSA-N 1 0 260.425 3.873 10 10 CHCERO CCN(CC)c1c(F)cc(C[NH2+]CC(C)C)cc1F ZINC000062734125 520876812 /nfs/dbraw/zinc/87/68/12/520876812.db2.gz RUEMLFAYJDEXRP-UHFFFAOYSA-N 1 0 270.367 3.557 10 10 CHCERO C[NH2+]Cc1ccc(N(C)[C@@H](C)c2cccs2)cc1C ZINC000050584012 522119485 /nfs/dbraw/zinc/11/94/85/522119485.db2.gz SLOOATAJMXXEQQ-ZDUSSCGKSA-N 1 0 274.433 3.973 10 10 CHCERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1ccccc1O ZINC000156168932 522749798 /nfs/dbraw/zinc/74/97/98/522749798.db2.gz XJWSWROGSVCAOU-ULQDDVLXSA-N 1 0 299.418 3.813 10 10 CHCERO Cc1cc(C[NH2+]C(C)C)ccc1N(C)C1CCCC1 ZINC000050560125 524750495 /nfs/dbraw/zinc/75/04/95/524750495.db2.gz SKJNINLIRDNLMF-UHFFFAOYSA-N 1 0 260.425 3.872 10 10 CHCERO C[NH2+][C@@H](C)c1ccc(N2CCc3sccc3C2)cc1 ZINC000034838267 536350994 /nfs/dbraw/zinc/35/09/94/536350994.db2.gz NUJPZKXPQOVDQI-LBPRGKRZSA-N 1 0 272.417 3.591 10 10 CHCERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(N(C)C)cc1 ZINC000188952537 1120469996 /nfs/dbraw/zinc/46/99/96/1120469996.db2.gz XMSQCWUUZXGIQM-SFHVURJKSA-N 1 0 296.414 3.674 10 10 CHCERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000008701703 170347053 /nfs/dbraw/zinc/34/70/53/170347053.db2.gz IEZVUZMFJTVTHC-VBQJREDUSA-N 1 0 260.425 3.667 10 10 CHCERO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(O)cc1O ZINC000020096822 170996885 /nfs/dbraw/zinc/99/68/85/170996885.db2.gz TXIJGQKZMRUINR-VXGBXAGGSA-N 1 0 287.359 3.518 10 10 CHCERO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000020122920 171003454 /nfs/dbraw/zinc/00/34/54/171003454.db2.gz ODKQEBXHAYFGHG-NEPJUHHUSA-N 1 0 251.370 3.573 10 10 CHCERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(O)cc1O ZINC000020126210 171010316 /nfs/dbraw/zinc/01/03/16/171010316.db2.gz LXVLOVUMZANBOZ-CHWSQXEVSA-N 1 0 271.360 3.818 10 10 CHCERO C[C@H]([NH2+]Cc1c(O)ccc2ccccc21)c1cccnc1 ZINC000020127539 171013288 /nfs/dbraw/zinc/01/32/88/171013288.db2.gz YYFYXBSUGWHBML-ZDUSSCGKSA-N 1 0 278.355 3.791 10 10 CHCERO C[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1O)c1cccc(F)c1 ZINC000020147916 171035497 /nfs/dbraw/zinc/03/54/97/171035497.db2.gz ZWAOEUCBPPHNFR-MNOVXSKESA-N 1 0 275.323 3.649 10 10 CHCERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cc(O)ccc1O ZINC000020148361 171035761 /nfs/dbraw/zinc/03/57/61/171035761.db2.gz FHSJLEWONJCPQX-ZJUUUORDSA-N 1 0 263.362 3.571 10 10 CHCERO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccs1 ZINC000020148384 171036182 /nfs/dbraw/zinc/03/61/82/171036182.db2.gz ISUJSCOHGTYEHO-SECBINFHSA-N 1 0 267.781 3.958 10 10 CHCERO Cc1cc([C@@H](C)[NH2+]Cc2ccc(O)c(O)c2)c(C)s1 ZINC000035252992 172082642 /nfs/dbraw/zinc/08/26/42/172082642.db2.gz MFOKWTGQQQUTQH-SNVBAGLBSA-N 1 0 277.389 3.627 10 10 CHCERO CC[C@H]([NH2+][C@@H](C)C1CC1)c1cc(Br)ccc1O ZINC000035733199 172384782 /nfs/dbraw/zinc/38/47/82/172384782.db2.gz BCRSPFJSADGZKC-ZANVPECISA-N 1 0 298.224 3.994 10 10 CHCERO CCCCCN(c1ccc(C[NH2+]C)cc1F)C(C)C ZINC000042558760 174794730 /nfs/dbraw/zinc/79/47/30/174794730.db2.gz MRLMFHUVTGTNOF-UHFFFAOYSA-N 1 0 266.404 3.950 10 10 CHCERO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000042829214 174889808 /nfs/dbraw/zinc/88/98/08/174889808.db2.gz PZNYVRYTOGKIRI-GDBMZVCRSA-N 1 0 260.425 3.669 10 10 CHCERO CC[C@H]([NH3+])[C@@H](Sc1nccs1)c1ccccc1OC ZINC000043101932 174968131 /nfs/dbraw/zinc/96/81/31/174968131.db2.gz UPTAMHVVZCLUIF-AAEUAGOBSA-N 1 0 294.445 3.722 10 10 CHCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H]2COc3ccccc32)c1 ZINC000248516748 329891046 /nfs/dbraw/zinc/89/10/46/329891046.db2.gz OYPUDHFFPBFSDL-GRDNDAEWSA-N 1 0 297.398 3.916 10 10 CHCERO Oc1ccc2ccccc2c1C[NH2+]CC1CCSCC1 ZINC000134611642 334097385 /nfs/dbraw/zinc/09/73/85/334097385.db2.gz KTGQMSFPAOLDGC-UHFFFAOYSA-N 1 0 287.428 3.778 10 10 CHCERO CC(C)C[NH2+]Cc1ccc(N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000062734631 519746985 /nfs/dbraw/zinc/74/69/85/519746985.db2.gz WOQWIJIXVWSKOO-HOTGVXAUSA-N 1 0 274.452 3.915 10 10 CHCERO CCCOc1ccc(N2CC[C@H](C[NH2+]CC(C)C)C2)cc1 ZINC000053035069 520385674 /nfs/dbraw/zinc/38/56/74/520385674.db2.gz ROHKZJBOBXEPBF-MRXNPFEDSA-N 1 0 290.451 3.547 10 10 CHCERO CCN(c1ccc(C[NH3+])cc1Cl)C1CCCCC1 ZINC000062792817 521487111 /nfs/dbraw/zinc/48/71/11/521487111.db2.gz VYELFRKMKZIGDL-UHFFFAOYSA-N 1 0 266.816 3.958 10 10 CHCERO C[C@@H]1CCCC[C@@H]1N(C)c1ccc(C[NH3+])cc1Cl ZINC000062793091 524131098 /nfs/dbraw/zinc/13/10/98/524131098.db2.gz RIKFKIMPASHVHA-RISCZKNCSA-N 1 0 266.816 3.814 10 10 CHCERO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc(F)c(F)c2)c1 ZINC000036953030 524755567 /nfs/dbraw/zinc/75/55/67/524755567.db2.gz BEOFAOXBWUNMKZ-SNVBAGLBSA-N 1 0 293.313 3.530 10 10 CHCERO Cc1cc(N(C)[C@H](C)C(C)C)ccc1C[NH2+]C(C)C ZINC000050582308 525030206 /nfs/dbraw/zinc/03/02/06/525030206.db2.gz SGWLRFNXOIWVTI-OAHLLOKOSA-N 1 0 262.441 3.974 10 10 CHCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000037074424 525361983 /nfs/dbraw/zinc/36/19/83/525361983.db2.gz FXGLZUSGAPOXRT-CJNGLKHVSA-N 1 0 283.371 3.875 10 10 CHCERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1O ZINC000037074396 525625834 /nfs/dbraw/zinc/62/58/34/525625834.db2.gz WNNCNQGTSYYWAA-WFASDCNBSA-N 1 0 269.344 3.567 10 10 CHCERO CC[C@H]([NH2+][C@H](C)c1ccncc1)c1ccccc1O ZINC000020121430 171000462 /nfs/dbraw/zinc/00/04/62/171000462.db2.gz AVLXJFPNHIQPPF-DOMZBBRYSA-N 1 0 256.349 3.589 10 10 CHCERO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1cc(O)ccc1O ZINC000020122928 171003375 /nfs/dbraw/zinc/00/33/75/171003375.db2.gz AQUWLTQOCMPKIZ-VXGBXAGGSA-N 1 0 251.370 3.573 10 10 CHCERO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000020122926 171003419 /nfs/dbraw/zinc/00/34/19/171003419.db2.gz AQUWLTQOCMPKIZ-NEPJUHHUSA-N 1 0 251.370 3.573 10 10 CHCERO Cc1ccc(CN(C)c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000020264683 171121608 /nfs/dbraw/zinc/12/16/08/171121608.db2.gz GWSHSXRLVKTAFA-CQSZACIVSA-N 1 0 254.377 3.651 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N2CCCCCCC2)c(F)c1 ZINC000022152713 171359519 /nfs/dbraw/zinc/35/95/19/171359519.db2.gz KTYDFTCOUHLQFR-GFCCVEGCSA-N 1 0 250.361 3.616 10 10 CHCERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035256799 172087567 /nfs/dbraw/zinc/08/75/67/172087567.db2.gz UQPMBDVUSXKESL-WBVHZDCISA-N 1 0 260.425 3.811 10 10 CHCERO C[NH2+][C@H](C)c1ccc(N(C)[C@@H](C)CC(C)C)c(F)c1 ZINC000042584596 174807543 /nfs/dbraw/zinc/80/75/43/174807543.db2.gz DOWHFNFSTMOXLV-QWHCGFSZSA-N 1 0 266.404 3.977 10 10 CHCERO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccc2ccccc2c1O ZINC000187306177 329355147 /nfs/dbraw/zinc/35/51/47/329355147.db2.gz UPKDKLZLLUWRCC-FCRVUTKVSA-N 1 0 297.398 3.764 10 10 CHCERO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc2ccccc2c1O ZINC000251940280 329936943 /nfs/dbraw/zinc/93/69/43/329936943.db2.gz UPKDKLZLLUWRCC-DUOKCRBOSA-N 1 0 297.398 3.764 10 10 CHCERO CC[NH2+][C@@H](C)c1ccc(N2CCC[C@@H]2C)c(Cl)c1 ZINC000061695992 520075926 /nfs/dbraw/zinc/07/59/26/520075926.db2.gz MJKRJXGKUGFRLV-RYUDHWBXSA-N 1 0 266.816 3.999 10 10 CHCERO CC[C@@H]1CCCCN1c1ccc(C[NH3+])cc1Cl ZINC000062792855 523179922 /nfs/dbraw/zinc/17/99/22/523179922.db2.gz ZCUUZNCWTBWOKL-GFCCVEGCSA-N 1 0 252.789 3.568 10 10 CHCERO C[C@H](N(C)c1ccc(C[NH3+])cc1Cl)C(C)(C)C ZINC000062793103 524814647 /nfs/dbraw/zinc/81/46/47/524814647.db2.gz YWYLSHPWSUAFQA-JTQLQIEISA-N 1 0 254.805 3.670 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N(C)Cc2cccc(Cl)c2)cc1 ZINC000048877532 525025978 /nfs/dbraw/zinc/02/59/78/525025978.db2.gz FXSNDAXEBASFLZ-GFCCVEGCSA-N 1 0 274.795 3.996 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N(C)CC2CCC2)c(Br)c1 ZINC000061698244 525027171 /nfs/dbraw/zinc/02/71/71/525027171.db2.gz PJVCTUCIKOLYEF-SNVBAGLBSA-N 1 0 297.240 3.705 10 10 CHCERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)c(O)c1 ZINC000037074228 525749769 /nfs/dbraw/zinc/74/97/69/525749769.db2.gz JGEOLGOSKXFSCB-CJNGLKHVSA-N 1 0 283.371 3.875 10 10 CHCERO Oc1ccc2ccccc2c1C[NH2+]CCCC(F)(F)F ZINC000097988827 526355740 /nfs/dbraw/zinc/35/57/40/526355740.db2.gz DAQMJNHOZRUENA-UHFFFAOYSA-N 1 0 283.293 3.978 10 10 CHCERO C[C@H]([NH2+]C/C=C\c1ccccc1)c1cc(F)ccc1O ZINC000588449443 1118791445 /nfs/dbraw/zinc/79/14/45/1118791445.db2.gz PIECKWORKGEWGM-UJZCVKTISA-N 1 0 271.335 3.895 10 10 CHCERO CC[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccccc1O ZINC000020121424 171000056 /nfs/dbraw/zinc/00/00/56/171000056.db2.gz AVLXJFPNHIQPPF-SWLSCSKDSA-N 1 0 256.349 3.589 10 10 CHCERO C[C@@H]([NH2+]Cc1c(O)ccc2ccccc21)c1cccnc1 ZINC000020127538 171013041 /nfs/dbraw/zinc/01/30/41/171013041.db2.gz YYFYXBSUGWHBML-CYBMUJFWSA-N 1 0 278.355 3.791 10 10 CHCERO C[NH2+][C@@H](C)c1ccc(N(C)Cc2ccsc2)cc1 ZINC000035719345 172374106 /nfs/dbraw/zinc/37/41/06/172374106.db2.gz YETOBWPRGYYSCE-LBPRGKRZSA-N 1 0 260.406 3.665 10 10 CHCERO CCCCCN(C)c1ccc(C[NH2+]CC)cc1F ZINC000037171970 173005507 /nfs/dbraw/zinc/00/55/07/173005507.db2.gz BCMNDKGIZHFRLO-UHFFFAOYSA-N 1 0 252.377 3.562 10 10 CHCERO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000037260248 173069767 /nfs/dbraw/zinc/06/97/67/173069767.db2.gz NNUCCEKJBPLBRU-CHWSQXEVSA-N 1 0 258.365 3.757 10 10 CHCERO CC[NH2+]Cc1ccc(N(CC(C)C)C2CC2)c(F)c1 ZINC000042558855 174794980 /nfs/dbraw/zinc/79/49/80/174794980.db2.gz KKHWZIJXWDXGDS-UHFFFAOYSA-N 1 0 264.388 3.560 10 10 CHCERO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(C)o2)c1O ZINC000184704769 262294605 /nfs/dbraw/zinc/29/46/05/262294605.db2.gz UOCLBPYPFUMENT-JTQLQIEISA-N 1 0 295.766 3.806 10 10 CHCERO CC(C)[C@H](C)N(C)c1ccc([C@@H](C)[NH3+])cc1Br ZINC000061695371 519811924 /nfs/dbraw/zinc/81/19/24/519811924.db2.gz ASNBAQIBXNHQHV-MNOVXSKESA-N 1 0 299.256 3.950 10 10 CHCERO CCCN(c1c(F)cc(C[NH2+]CC)cc1F)C(C)C ZINC000062710263 521697168 /nfs/dbraw/zinc/69/71/68/521697168.db2.gz HGERBIQZDQDVOI-UHFFFAOYSA-N 1 0 270.367 3.699 10 10 CHCERO CC[C@@H]([NH2+]Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC000052335173 522878198 /nfs/dbraw/zinc/87/81/98/522878198.db2.gz ANICQEQQLQHTFN-CQSZACIVSA-N 1 0 263.381 3.546 10 10 CHCERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297637281 524580024 /nfs/dbraw/zinc/58/00/24/524580024.db2.gz JOIFPHZJPLYOEX-RHSMWYFYSA-N 1 0 297.398 3.574 10 10 CHCERO C[C@@H](COCc1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297637286 524817901 /nfs/dbraw/zinc/81/79/01/524817901.db2.gz JOIFPHZJPLYOEX-YOEHRIQHSA-N 1 0 297.398 3.574 10 10 CHCERO CCN(CC)c1ccc(-c2n(C)c3ccccc3[n+]2C)cc1 ZINC000000044865 566945857 /nfs/dbraw/zinc/94/58/57/566945857.db2.gz AJKVKQKQGUDRMX-UHFFFAOYSA-N 1 0 294.422 3.516 10 10 CHCERO COc1ccc(C[NH2+]CCC2CCC(C)CC2)c(O)c1 ZINC000070547377 567889029 /nfs/dbraw/zinc/88/90/29/567889029.db2.gz VPKLDFTZAKVZAW-UHFFFAOYSA-N 1 0 277.408 3.707 10 10 CHCERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1 ZINC000193002777 1123868939 /nfs/dbraw/zinc/86/89/39/1123868939.db2.gz ZCZILMSRDJXKIZ-KBXCAEBGSA-N 1 0 296.414 3.927 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N2CCc3sccc3[C@@H]2C)cc1 ZINC000042769242 134896969 /nfs/dbraw/zinc/89/69/69/134896969.db2.gz FSKFYATZUUQBLE-NEPJUHHUSA-N 1 0 272.417 3.892 10 10 CHCERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccncc2)c(O)c1 ZINC000020121764 171000974 /nfs/dbraw/zinc/00/09/74/171000974.db2.gz LVGQPXJFEPVEPH-STQMWFEESA-N 1 0 256.349 3.507 10 10 CHCERO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000020122921 171003247 /nfs/dbraw/zinc/00/32/47/171003247.db2.gz ODKQEBXHAYFGHG-RYUDHWBXSA-N 1 0 251.370 3.573 10 10 CHCERO COc1ccc([C@H](C)[NH2+]C2CCCCCC2)c(O)c1 ZINC000020122674 171003344 /nfs/dbraw/zinc/00/33/44/171003344.db2.gz OCISMECFXPSWNB-LBPRGKRZSA-N 1 0 263.381 3.774 10 10 CHCERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000020126209 171010086 /nfs/dbraw/zinc/01/00/86/171010086.db2.gz LXVLOVUMZANBOZ-STQMWFEESA-N 1 0 271.360 3.818 10 10 CHCERO C[C@@H]([NH2+][C@H](C)c1ccc(O)cc1O)c1cccs1 ZINC000020148308 171035983 /nfs/dbraw/zinc/03/59/83/171035983.db2.gz OKKFALFLCROQTR-NXEZZACHSA-N 1 0 263.362 3.571 10 10 CHCERO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(O)cc1O ZINC000020209730 171073267 /nfs/dbraw/zinc/07/32/67/171073267.db2.gz GTFMBSXPBOROGO-JTQLQIEISA-N 1 0 277.751 3.602 10 10 CHCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccncc2)c1 ZINC000035628758 172307837 /nfs/dbraw/zinc/30/78/37/172307837.db2.gz LJPAVKFIEZBHRE-STQMWFEESA-N 1 0 256.349 3.507 10 10 CHCERO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(F)cc2)c1 ZINC000071406321 176155780 /nfs/dbraw/zinc/15/57/80/176155780.db2.gz KPWQLWVWXRLWFJ-LBPRGKRZSA-N 1 0 259.324 3.691 10 10 CHCERO CC(C)CCN(C)c1ccc([C@H](C)[NH3+])cc1Cl ZINC000061696614 519650781 /nfs/dbraw/zinc/65/07/81/519650781.db2.gz XFZUMFQRROIJII-NSHDSACASA-N 1 0 254.805 3.842 10 10 CHCERO CCc1ccc([C@@H](C)[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000036958492 524026300 /nfs/dbraw/zinc/02/63/00/524026300.db2.gz IYWJKWNXLFEAAH-CYBMUJFWSA-N 1 0 285.387 3.814 10 10 CHCERO Cc1cc(N2CCCCC2)ccc1C[NH2+]CC(C)C ZINC000062734696 525064070 /nfs/dbraw/zinc/06/40/70/525064070.db2.gz JRFYQSMZZUFOGM-UHFFFAOYSA-N 1 0 260.425 3.731 10 10 CHCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000037074423 525364585 /nfs/dbraw/zinc/36/45/85/525364585.db2.gz FXGLZUSGAPOXRT-XJKSGUPXSA-N 1 0 283.371 3.875 10 10 CHCERO C[C@H]1CCCC[C@H]1N(C)c1ccc(C[NH3+])cc1Cl ZINC000062793094 526261396 /nfs/dbraw/zinc/26/13/96/526261396.db2.gz RIKFKIMPASHVHA-SMDDNHRTSA-N 1 0 266.816 3.814 10 10 CHCERO [NH3+]Cc1ccc(N2CC[C@@H]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000062792944 527256209 /nfs/dbraw/zinc/25/62/09/527256209.db2.gz COQYJVXNUOWQDJ-UONOGXRCSA-N 1 0 278.827 3.815 10 10 CHCERO C[C@@H]([NH2+]Cc1cccnc1)c1ccc(N2CCCC2)c(F)c1 ZINC000020550923 570408362 /nfs/dbraw/zinc/40/83/62/570408362.db2.gz BAAXYGLNXRQBAB-CQSZACIVSA-N 1 0 299.393 3.672 10 10 CHCERO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H](C)c1ccncc1 ZINC000020121494 171001220 /nfs/dbraw/zinc/00/12/20/171001220.db2.gz YIQAKANNWRWZKG-YDHLFZDLSA-N 1 0 282.387 3.995 10 10 CHCERO C[C@H]([NH2+]Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000020121900 171001725 /nfs/dbraw/zinc/00/17/25/171001725.db2.gz AHNJLWRKDRPAJN-NSHDSACASA-N 1 0 261.752 3.896 10 10 CHCERO C[C@H]([NH2+]Cc1ccc(O)cc1O)c1cccc(Cl)c1 ZINC000020124197 171006433 /nfs/dbraw/zinc/00/64/33/171006433.db2.gz UOQJEMCUFNNZGV-JTQLQIEISA-N 1 0 277.751 3.602 10 10 CHCERO CCOc1cccc(C[NH2+][C@@H](C)c2cccs2)c1O ZINC000020148286 171036280 /nfs/dbraw/zinc/03/62/80/171036280.db2.gz TUKPAIXIHRPOAY-NSHDSACASA-N 1 0 277.389 3.703 10 10 CHCERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccs2)c(O)c1 ZINC000020148650 171036517 /nfs/dbraw/zinc/03/65/17/171036517.db2.gz PJXQQLIFYITJEG-GHMZBOCLSA-N 1 0 277.389 3.874 10 10 CHCERO CCN(Cc1ccccc1)c1ccc([C@@H](C)[NH3+])cc1 ZINC000020486586 171226239 /nfs/dbraw/zinc/22/62/39/171226239.db2.gz ITMZSKMCYCIOCM-CQSZACIVSA-N 1 0 254.377 3.733 10 10 CHCERO COCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)c(F)c1 ZINC000020550999 171247100 /nfs/dbraw/zinc/24/71/00/171247100.db2.gz MQNPUJCIYYSOEK-AWEZNQCLSA-N 1 0 294.414 3.503 10 10 CHCERO CC[NH2+]Cc1ccc(N(CC)[C@H](C)CC)c(F)c1 ZINC000034825128 171879364 /nfs/dbraw/zinc/87/93/64/171879364.db2.gz IYCBKQRAZWIUBL-GFCCVEGCSA-N 1 0 252.377 3.560 10 10 CHCERO C[NH2+][C@@H](C)c1ccc(N(C)Cc2ccc(C)o2)cc1 ZINC000035699840 172368175 /nfs/dbraw/zinc/36/81/75/172368175.db2.gz QRIKPUJGDJPDHA-ZDUSSCGKSA-N 1 0 258.365 3.505 10 10 CHCERO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccccc2F)c1 ZINC000071408050 176156948 /nfs/dbraw/zinc/15/69/48/176156948.db2.gz FWXUIAGXLNXTGS-LBPRGKRZSA-N 1 0 259.324 3.691 10 10 CHCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000248529228 329891298 /nfs/dbraw/zinc/89/12/98/329891298.db2.gz WPSOVWOOILQZBT-USXIJHARSA-N 1 0 299.418 3.732 10 10 CHCERO CC[C@H]([NH2+][C@H](C)[C@H]1COc2ccccc21)c1ccccc1O ZINC000248584580 329895097 /nfs/dbraw/zinc/89/50/97/329895097.db2.gz XEJFTSADRBKDSW-XYPHTWIQSA-N 1 0 297.398 3.998 10 10 CHCERO C[NH2+]Cc1cc(F)c(N(C)[C@H](C)CC(C)C)c(F)c1 ZINC000062713396 522112523 /nfs/dbraw/zinc/11/25/23/522112523.db2.gz LZOASKYIOPILIU-LLVKDONJSA-N 1 0 270.367 3.555 10 10 CHCERO CC(C)N(C)c1c(F)cc(C[NH2+]C(C)(C)C)cc1F ZINC000062734553 519632660 /nfs/dbraw/zinc/63/26/60/519632660.db2.gz LWCPWRIWFSRVIN-UHFFFAOYSA-N 1 0 270.367 3.698 10 10 CHCERO CCC[NH2+]Cc1ccc(N2CCC[C@H]2CC)cc1C ZINC000050582779 519949706 /nfs/dbraw/zinc/94/97/06/519949706.db2.gz MGKVLHXOFRFMTE-MRXNPFEDSA-N 1 0 260.425 3.873 10 10 CHCERO CC[NH2+]Cc1ccc(N2CCCC[C@H]2CC)c(C)c1 ZINC000050560108 519997670 /nfs/dbraw/zinc/99/76/70/519997670.db2.gz CPIZCQISVPSWNG-MRXNPFEDSA-N 1 0 260.425 3.873 10 10 CHCERO CCCCN(CCCC)c1c(F)cc(C[NH3+])cc1F ZINC000062709996 520498560 /nfs/dbraw/zinc/49/85/60/520498560.db2.gz XPLPFIMPZQLPED-UHFFFAOYSA-N 1 0 270.367 3.830 10 10 CHCERO CCC[C@@H](C)N(C)c1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061695401 520647819 /nfs/dbraw/zinc/64/78/19/520647819.db2.gz HFDDHAQBQJTHKC-GHMZBOCLSA-N 1 0 254.805 3.985 10 10 CHCERO C[NH2+][C@H](C)c1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000061693876 522447989 /nfs/dbraw/zinc/44/79/89/522447989.db2.gz GMPBJRVNHUAWOU-GFCCVEGCSA-N 1 0 266.816 3.857 10 10 CHCERO CC[C@H]1CCCCN1c1ccc(C[NH3+])cc1Cl ZINC000062792856 523032380 /nfs/dbraw/zinc/03/23/80/523032380.db2.gz ZCUUZNCWTBWOKL-LBPRGKRZSA-N 1 0 252.789 3.568 10 10 CHCERO CC[C@H]1CCCN1c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062736569 523111336 /nfs/dbraw/zinc/11/13/36/523111336.db2.gz NLWANYTXEUUQHS-HNNXBMFYSA-N 1 0 260.425 3.954 10 10 CHCERO C[C@@H]([NH3+])c1ccc(N2CCC[C@@H](C)[C@H]2C)c(Cl)c1 ZINC000061698133 525026819 /nfs/dbraw/zinc/02/68/19/525026819.db2.gz PXYABYPOUBUKPE-IJLUTSLNSA-N 1 0 266.816 3.985 10 10 CHCERO Cc1cc(N(Cc2cccs2)C2CC2)ccc1C[NH3+] ZINC000050583774 525032947 /nfs/dbraw/zinc/03/29/47/525032947.db2.gz FZZDOTKZQXYKHL-UHFFFAOYSA-N 1 0 272.417 3.684 10 10 CHCERO C[C@H]([NH2+][C@@H](C)C1CCCCC1)c1cc(O)ccc1O ZINC000052332665 525524549 /nfs/dbraw/zinc/52/45/49/525524549.db2.gz VSKPJNYHMVZOGF-RYUDHWBXSA-N 1 0 263.381 3.717 10 10 CHCERO [NH3+]Cc1ccc(N2CCC3(CCCC3)CC2)c(Cl)c1 ZINC000062951180 527254399 /nfs/dbraw/zinc/25/43/99/527254399.db2.gz LWGWCLLJHGVTDR-UHFFFAOYSA-N 1 0 278.827 3.959 10 10 CHCERO C[C@@H]([NH2+]Cc1ccco1)c1ccc(N2CCCC2)c(F)c1 ZINC000020550927 570408367 /nfs/dbraw/zinc/40/83/67/570408367.db2.gz QUEUZDSQYGJINY-CYBMUJFWSA-N 1 0 288.366 3.870 10 10 CHCERO