smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH2+]C[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000052443866 519970339 /nfs/dbraw/zinc/97/03/39/519970339.db2.gz QOFHIIMZCISTST-HNNXBMFYSA-N 2 2 260.425 2.939 10 0 CFAELP CCCC[C@](CC)(C[NH3+])[N@H+](C)CC1CC[NH+](C)CC1 ZINC000069381127 521253497 /nfs/dbraw/zinc/25/34/97/521253497.db2.gz GPYHTFUXCBSSIJ-MRXNPFEDSA-N 3 2 269.477 2.558 10 0 CFAELP CCCC[C@](CC)(C[NH3+])[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000069381127 521253504 /nfs/dbraw/zinc/25/35/04/521253504.db2.gz GPYHTFUXCBSSIJ-MRXNPFEDSA-N 3 2 269.477 2.558 10 0 CFAELP CC(C)C[C@@H](C[NH2+][C@@H](C)Cc1ccco1)[NH+](C)C ZINC000062769805 519211649 /nfs/dbraw/zinc/21/16/49/519211649.db2.gz CAXRNPHDORSQNG-KBPBESRZSA-N 2 2 252.402 2.777 10 0 CFAELP CC(C)C[C@H](C[NH2+][C@H](C)Cc1ccco1)[NH+](C)C ZINC000062769808 519353722 /nfs/dbraw/zinc/35/37/22/519353722.db2.gz CAXRNPHDORSQNG-ZIAGYGMSSA-N 2 2 252.402 2.777 10 0 CFAELP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2NCC[NH+]1CCCCC1 ZINC000049575024 519697448 /nfs/dbraw/zinc/69/74/48/519697448.db2.gz AUHPPYMMPURGTE-JWTNVVGKSA-N 2 2 293.499 2.571 10 0 CFAELP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2NCC[NH+]1CCCCC1 ZINC000049575024 519697449 /nfs/dbraw/zinc/69/74/49/519697449.db2.gz AUHPPYMMPURGTE-JWTNVVGKSA-N 2 2 293.499 2.571 10 0 CFAELP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCN1CCCCC1 ZINC000049575024 519697450 /nfs/dbraw/zinc/69/74/50/519697450.db2.gz AUHPPYMMPURGTE-JWTNVVGKSA-N 2 2 293.499 2.571 10 0 CFAELP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCN1CCCCC1 ZINC000049575024 519697451 /nfs/dbraw/zinc/69/74/51/519697451.db2.gz AUHPPYMMPURGTE-JWTNVVGKSA-N 2 2 293.499 2.571 10 0 CFAELP CC(C)[NH2+]CC[C@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374752 519722369 /nfs/dbraw/zinc/72/23/69/519722369.db2.gz DMJLAKGAHQEMEV-HNNXBMFYSA-N 2 2 293.430 2.724 10 0 CFAELP CC(C)[NH2+]Cc1oc2ccccc2c1C[NH+]1CCOCC1 ZINC000052377785 519730261 /nfs/dbraw/zinc/73/02/61/519730261.db2.gz PKKKYVOFMDGDFM-UHFFFAOYSA-N 2 2 288.391 2.763 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000049196102 519793942 /nfs/dbraw/zinc/79/39/42/519793942.db2.gz WLOCAAVRBIKZAD-RHSMWYFYSA-N 2 2 278.440 2.889 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)n1c(N)[nH+]c2c1cccc2F ZINC000049221196 519815083 /nfs/dbraw/zinc/81/50/83/519815083.db2.gz SUHGSWGYSQKSEP-LBPRGKRZSA-N 2 2 264.348 2.516 10 0 CFAELP CC(C)[C@H](C[NH2+]C(C)(C)C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543357 519815771 /nfs/dbraw/zinc/81/57/71/519815771.db2.gz WPEDSLHBYORECO-KGLIPLIRSA-N 2 2 270.461 2.898 10 0 CFAELP CC(C)[C@H](C[NH2+]C(C)(C)C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543357 519815772 /nfs/dbraw/zinc/81/57/72/519815772.db2.gz WPEDSLHBYORECO-KGLIPLIRSA-N 2 2 270.461 2.898 10 0 CFAELP CCC[NH+]1CCC([C@H](C)[NH2+]CC[NH+]2CCCCC2)CC1 ZINC000049574797 519847919 /nfs/dbraw/zinc/84/79/19/519847919.db2.gz OPXZPNZBWVUWGJ-INIZCTEOSA-N 3 2 281.488 2.572 10 0 CFAELP CC[NH2+]C[C@H](C(C)C)[N@H+](C)Cc1cccc(F)c1 ZINC000052425182 519957349 /nfs/dbraw/zinc/95/73/49/519957349.db2.gz HBWZSMTXBSKPJP-OAHLLOKOSA-N 2 2 252.377 2.892 10 0 CFAELP CC[NH2+]C[C@H](C(C)C)[N@@H+](C)Cc1cccc(F)c1 ZINC000052425182 519957353 /nfs/dbraw/zinc/95/73/53/519957353.db2.gz HBWZSMTXBSKPJP-OAHLLOKOSA-N 2 2 252.377 2.892 10 0 CFAELP CCO[C@@H]1CCC[N@@H+]([C@@H](C[NH2+]CC(C)C)C(C)C)C1 ZINC000052372061 520321721 /nfs/dbraw/zinc/32/17/21/520321721.db2.gz VUSGWXBLENFYGZ-CVEARBPZSA-N 2 2 270.461 2.758 10 0 CFAELP CCO[C@@H]1CCC[N@H+]([C@@H](C[NH2+]CC(C)C)C(C)C)C1 ZINC000052372061 520321728 /nfs/dbraw/zinc/32/17/28/520321728.db2.gz VUSGWXBLENFYGZ-CVEARBPZSA-N 2 2 270.461 2.758 10 0 CFAELP CC[N@H+](CCCCCO)C1(C[NH3+])CCCCCC1 ZINC000051020388 521000216 /nfs/dbraw/zinc/00/02/16/521000216.db2.gz ONQFCXVCQNFCPI-UHFFFAOYSA-N 2 2 256.434 2.523 10 0 CFAELP CC[N@@H+](CCCCCO)C1(C[NH3+])CCCCCC1 ZINC000051020388 521000226 /nfs/dbraw/zinc/00/02/26/521000226.db2.gz ONQFCXVCQNFCPI-UHFFFAOYSA-N 2 2 256.434 2.523 10 0 CFAELP CCCC[C@@](CC)(C[NH3+])[N@H+](CCOC)CC(C)C ZINC000069380330 521120862 /nfs/dbraw/zinc/12/08/62/521120862.db2.gz SORIGEGRLCPYMW-HNNXBMFYSA-N 2 2 258.450 2.889 10 0 CFAELP CCCC[C@@](CC)(C[NH3+])[N@@H+](CCOC)CC(C)C ZINC000069380330 521120872 /nfs/dbraw/zinc/12/08/72/521120872.db2.gz SORIGEGRLCPYMW-HNNXBMFYSA-N 2 2 258.450 2.889 10 0 CFAELP CCCC[C@@](CC)(C[NH3+])[NH+]1CCN(c2nccs2)CC1 ZINC000069379488 521121789 /nfs/dbraw/zinc/12/17/89/521121789.db2.gz BKKHBNJHDCZCMD-HNNXBMFYSA-N 2 2 296.484 2.563 10 0 CFAELP CC[C@H](C[NH2+]C(C)(C)C)[N@H+](C)CCc1ccccn1 ZINC000052423790 522190544 /nfs/dbraw/zinc/19/05/44/522190544.db2.gz YRNMITRYWPTFGQ-OAHLLOKOSA-N 2 2 263.429 2.723 10 0 CFAELP CC[C@H](C[NH2+]C(C)(C)C)[N@@H+](C)CCc1ccccn1 ZINC000052423790 522190553 /nfs/dbraw/zinc/19/05/53/522190553.db2.gz YRNMITRYWPTFGQ-OAHLLOKOSA-N 2 2 263.429 2.723 10 0 CFAELP CC[C@H](C[NH2+]CC(C)C)[N@H+](C)CCc1ccccn1 ZINC000052423794 522194110 /nfs/dbraw/zinc/19/41/10/522194110.db2.gz MPWMJZUQYHOOIM-MRXNPFEDSA-N 2 2 263.429 2.580 10 0 CFAELP CC[C@H](C[NH2+]CC(C)C)[N@@H+](C)CCc1ccccn1 ZINC000052423794 522194122 /nfs/dbraw/zinc/19/41/22/522194122.db2.gz MPWMJZUQYHOOIM-MRXNPFEDSA-N 2 2 263.429 2.580 10 0 CFAELP CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1nccs1 ZINC000080279215 522581620 /nfs/dbraw/zinc/58/16/20/522581620.db2.gz QTMHXECUDRWTCJ-LBPRGKRZSA-N 2 2 253.415 2.670 10 0 CFAELP CC[C@@H]([NH3+])c1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000049327079 522654882 /nfs/dbraw/zinc/65/48/82/522654882.db2.gz OGBCGKSAFFNVRG-OAHLLOKOSA-N 2 2 259.353 2.762 10 0 CFAELP CNc1[nH+]c2ccccc2cc1Cn1cc[nH+]c1C ZINC000050818401 522690952 /nfs/dbraw/zinc/69/09/52/522690952.db2.gz GKDVVGYWUHVOQE-UHFFFAOYSA-N 2 2 252.321 2.830 10 0 CFAELP CC[C@H]1C[N@H+](Cc2occc2C[NH2+]CC(C)C)CCO1 ZINC000052477030 523298365 /nfs/dbraw/zinc/29/83/65/523298365.db2.gz CVLSPGIQMWWSAT-HNNXBMFYSA-N 2 2 280.412 2.636 10 0 CFAELP CC[C@H]1C[N@@H+](Cc2occc2C[NH2+]CC(C)C)CCO1 ZINC000052477030 523298373 /nfs/dbraw/zinc/29/83/73/523298373.db2.gz CVLSPGIQMWWSAT-HNNXBMFYSA-N 2 2 280.412 2.636 10 0 CFAELP CC[C@](C)(C[NH2+]C(C)C)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000051209993 523462879 /nfs/dbraw/zinc/46/28/79/523462879.db2.gz ALHYFQVELIJQPP-QLFBSQMISA-N 2 2 256.434 2.510 10 0 CFAELP CC[C@](C)(C[NH2+]C(C)C)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000051209993 523462887 /nfs/dbraw/zinc/46/28/87/523462887.db2.gz ALHYFQVELIJQPP-QLFBSQMISA-N 2 2 256.434 2.510 10 0 CFAELP C[N@H+](Cc1nc2ccccc2s1)[C@@H]1CCC[NH2+]CC1 ZINC000231668779 523571462 /nfs/dbraw/zinc/57/14/62/523571462.db2.gz BPUHJHLYIBKIDL-GFCCVEGCSA-N 2 2 275.421 2.870 10 0 CFAELP C[N@@H+](Cc1nc2ccccc2s1)[C@@H]1CCC[NH2+]CC1 ZINC000231668779 523571474 /nfs/dbraw/zinc/57/14/74/523571474.db2.gz BPUHJHLYIBKIDL-GFCCVEGCSA-N 2 2 275.421 2.870 10 0 CFAELP C[N@H+]([C@@H](C[NH3+])c1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000062709775 523624695 /nfs/dbraw/zinc/62/46/95/523624695.db2.gz RKIIXMKXNMBSHE-ZDUSSCGKSA-N 2 2 272.314 2.978 10 0 CFAELP C[N@@H+]([C@@H](C[NH3+])c1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000062709775 523624703 /nfs/dbraw/zinc/62/47/03/523624703.db2.gz RKIIXMKXNMBSHE-ZDUSSCGKSA-N 2 2 272.314 2.978 10 0 CFAELP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1F ZINC000050885007 524406390 /nfs/dbraw/zinc/40/63/90/524406390.db2.gz PYOLEPGZJCYSEN-WDEREUQCSA-N 2 2 254.324 2.524 10 0 CFAELP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1F ZINC000050885007 524406394 /nfs/dbraw/zinc/40/63/94/524406394.db2.gz PYOLEPGZJCYSEN-WDEREUQCSA-N 2 2 254.324 2.524 10 0 CFAELP C[C@@H](CC[NH+](C)C)[NH2+]Cc1c(F)cccc1Cl ZINC000049553395 524474033 /nfs/dbraw/zinc/47/40/33/524474033.db2.gz GJFVZSCBJMELQI-JTQLQIEISA-N 2 2 258.768 2.909 10 0 CFAELP C[C@H](C[NH2+]C1CC1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052346287 524478535 /nfs/dbraw/zinc/47/85/35/524478535.db2.gz VCCSFLPYBZEESO-LLVKDONJSA-N 2 2 252.789 2.912 10 0 CFAELP C[C@H](C[NH2+]C1CC1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000052346287 524478543 /nfs/dbraw/zinc/47/85/43/524478543.db2.gz VCCSFLPYBZEESO-LLVKDONJSA-N 2 2 252.789 2.912 10 0 CFAELP Cc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)oc1C[NH2+]C(C)C ZINC000052476825 524716250 /nfs/dbraw/zinc/71/62/50/524716250.db2.gz SINSYBYGQJFEBC-KBPBESRZSA-N 2 2 280.412 2.695 10 0 CFAELP Cc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)oc1C[NH2+]C(C)C ZINC000052476825 524716263 /nfs/dbraw/zinc/71/62/63/524716263.db2.gz SINSYBYGQJFEBC-KBPBESRZSA-N 2 2 280.412 2.695 10 0 CFAELP C[C@@H](Cc1ccco1)[NH2+]C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000049147246 524928625 /nfs/dbraw/zinc/92/86/25/524928625.db2.gz USQMLNUIEXQNOX-XJKSGUPXSA-N 2 2 270.376 2.515 10 0 CFAELP C[C@@H]([NH3+])Cc1cc(Cl)ccc1OCCCn1cc[nH+]c1 ZINC000049328996 524997494 /nfs/dbraw/zinc/99/74/94/524997494.db2.gz UBLRAHMAXOLHRU-GFCCVEGCSA-N 2 2 293.798 2.895 10 0 CFAELP C[C@@H]1C[NH+](Cc2ccoc2C[NH2+]C(C)(C)C)C[C@@H](C)O1 ZINC000052380917 525024147 /nfs/dbraw/zinc/02/41/47/525024147.db2.gz NANWGFIAXIDXEZ-CHWSQXEVSA-N 2 2 280.412 2.777 10 0 CFAELP C[C@H]1c2ccsc2CC[N@H+]1Cc1csc(C[NH3+])n1 ZINC000052505459 525132348 /nfs/dbraw/zinc/13/23/48/525132348.db2.gz OEMFZWCMQJEFMG-VIFPVBQESA-N 2 2 279.434 2.783 10 0 CFAELP C[C@H]1c2ccsc2CC[N@@H+]1Cc1csc(C[NH3+])n1 ZINC000052505459 525132354 /nfs/dbraw/zinc/13/23/54/525132354.db2.gz OEMFZWCMQJEFMG-VIFPVBQESA-N 2 2 279.434 2.783 10 0 CFAELP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1c(F)cccc1F ZINC000049553095 525596463 /nfs/dbraw/zinc/59/64/63/525596463.db2.gz FONYXNMHIUYTNF-WDEREUQCSA-N 2 2 256.340 2.956 10 0 CFAELP Cc1oc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1C[NH2+]C(C)C ZINC000052476392 526773423 /nfs/dbraw/zinc/77/34/23/526773423.db2.gz DEVFILSRHTWGCD-QWHCGFSZSA-N 2 2 280.412 2.695 10 0 CFAELP Cc1oc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1C[NH2+]C(C)C ZINC000052476392 526773429 /nfs/dbraw/zinc/77/34/29/526773429.db2.gz DEVFILSRHTWGCD-QWHCGFSZSA-N 2 2 280.412 2.695 10 0 CFAELP [NH3+]Cc1c(OCCCn2cc[nH+]c2)ccc2ccccc21 ZINC000049327348 527243776 /nfs/dbraw/zinc/24/37/76/527243776.db2.gz UKOQKNNBWNYGIN-UHFFFAOYSA-N 2 2 281.359 2.964 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(C)c2)C1 ZINC000414553362 527801215 /nfs/dbraw/zinc/80/12/15/527801215.db2.gz RDWNLRWXEDVVFW-CYBMUJFWSA-N 2 2 252.789 2.832 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(C)c2)C1 ZINC000414553362 527801220 /nfs/dbraw/zinc/80/12/20/527801220.db2.gz RDWNLRWXEDVVFW-CYBMUJFWSA-N 2 2 252.789 2.832 10 0 CFAELP CCC1(CC)CC[NH2+]C2(C[C@H]3CC[C@@H](C2)[N@H+]3C)O1 ZINC000757142216 617799764 /nfs/dbraw/zinc/79/97/64/617799764.db2.gz KQVUXNJMQBZRPL-NNQSOWQGSA-N 2 2 252.402 2.508 10 0 CFAELP CCC1(CC)CC[NH2+]C2(C[C@H]3CC[C@@H](C2)[N@@H+]3C)O1 ZINC000757142216 617799765 /nfs/dbraw/zinc/79/97/65/617799765.db2.gz KQVUXNJMQBZRPL-NNQSOWQGSA-N 2 2 252.402 2.508 10 0 CFAELP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235359035 618250853 /nfs/dbraw/zinc/25/08/53/618250853.db2.gz BZMAHRHUCBACIU-BREBYQMCSA-N 2 2 288.313 2.925 10 0 CFAELP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235359035 618250855 /nfs/dbraw/zinc/25/08/55/618250855.db2.gz BZMAHRHUCBACIU-BREBYQMCSA-N 2 2 288.313 2.925 10 0 CFAELP Cc1nc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cs1 ZINC000262029332 619392011 /nfs/dbraw/zinc/39/20/11/619392011.db2.gz WZIGNNHZBXZANB-OCCSQVGLSA-N 2 2 265.426 2.588 10 0 CFAELP Cc1nc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cs1 ZINC000262029332 619392012 /nfs/dbraw/zinc/39/20/12/619392012.db2.gz WZIGNNHZBXZANB-OCCSQVGLSA-N 2 2 265.426 2.588 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c(C)c1 ZINC000229200166 623188324 /nfs/dbraw/zinc/18/83/24/623188324.db2.gz GWSBCOZHNQHYKN-PMPSAXMXSA-N 2 2 276.424 2.721 10 0 CFAELP C[NH+](C)[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000085629949 282181537 /nfs/dbraw/zinc/18/15/37/282181537.db2.gz UDRQJNMITPOYCH-QAETUUGQSA-N 2 2 288.435 2.692 10 0 CFAELP CC(C)C[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000069607380 346896536 /nfs/dbraw/zinc/89/65/36/346896536.db2.gz RSNUYOKYHNSQCX-SFHVURJKSA-N 2 2 290.451 2.600 10 0 CFAELP CC(C)C[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000069607380 346896540 /nfs/dbraw/zinc/89/65/40/346896540.db2.gz RSNUYOKYHNSQCX-SFHVURJKSA-N 2 2 290.451 2.600 10 0 CFAELP CC(C)C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000069607380 346896543 /nfs/dbraw/zinc/89/65/43/346896543.db2.gz RSNUYOKYHNSQCX-SFHVURJKSA-N 2 2 290.451 2.600 10 0 CFAELP CC(C)C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000069607380 346896547 /nfs/dbraw/zinc/89/65/47/346896547.db2.gz RSNUYOKYHNSQCX-SFHVURJKSA-N 2 2 290.451 2.600 10 0 CFAELP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000151285453 529612209 /nfs/dbraw/zinc/61/22/09/529612209.db2.gz JZRYCJQUZZIGQE-KGLIPLIRSA-N 2 2 282.453 2.636 10 0 CFAELP CCc1[nH+]c2ccccc2n1CC[NH2+]Cc1cccnc1 ZINC000060394306 346665111 /nfs/dbraw/zinc/66/51/11/346665111.db2.gz ZNTVFOGDMFFEPM-UHFFFAOYSA-N 2 2 280.375 2.784 10 0 CFAELP COC[C@H]([NH3+])C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000159511001 348013167 /nfs/dbraw/zinc/01/31/67/348013167.db2.gz HPEZJIVIUJMCRI-GOSISDBHSA-N 2 2 284.403 2.663 10 0 CFAELP CC(C)[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CCC1 ZINC000125533066 539640314 /nfs/dbraw/zinc/64/03/14/539640314.db2.gz JBSXETKFGGUFSB-SFHVURJKSA-N 2 2 290.451 2.742 10 0 CFAELP CC(C)[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CCC1 ZINC000125533066 539640316 /nfs/dbraw/zinc/64/03/16/539640316.db2.gz JBSXETKFGGUFSB-SFHVURJKSA-N 2 2 290.451 2.742 10 0 CFAELP CC(C)[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000125533066 539640320 /nfs/dbraw/zinc/64/03/20/539640320.db2.gz JBSXETKFGGUFSB-SFHVURJKSA-N 2 2 290.451 2.742 10 0 CFAELP CC(C)[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000125533066 539640325 /nfs/dbraw/zinc/64/03/25/539640325.db2.gz JBSXETKFGGUFSB-SFHVURJKSA-N 2 2 290.451 2.742 10 0 CFAELP C[C@@H]([NH3+])C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000584596197 348683741 /nfs/dbraw/zinc/68/37/41/348683741.db2.gz ZXAQPQMRUHGIQN-CRAIPNDOSA-N 2 2 284.403 2.569 10 0 CFAELP C[C@@H]([NH3+])C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000584596197 348683742 /nfs/dbraw/zinc/68/37/42/348683742.db2.gz ZXAQPQMRUHGIQN-CRAIPNDOSA-N 2 2 284.403 2.569 10 0 CFAELP CC[NH2+]C[C@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000104449654 186006095 /nfs/dbraw/zinc/00/60/95/186006095.db2.gz SIWDTLNLBVQISS-CYBMUJFWSA-N 2 2 252.427 2.755 10 0 CFAELP CC[NH2+]C[C@H]1CCCC[N@H+]1CCc1cccs1 ZINC000104449654 186006097 /nfs/dbraw/zinc/00/60/97/186006097.db2.gz SIWDTLNLBVQISS-CYBMUJFWSA-N 2 2 252.427 2.755 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC000105897744 186086351 /nfs/dbraw/zinc/08/63/51/186086351.db2.gz XJVUGEOKLJNWLD-AWEZNQCLSA-N 2 2 288.395 2.887 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC000105897744 186086353 /nfs/dbraw/zinc/08/63/53/186086353.db2.gz XJVUGEOKLJNWLD-AWEZNQCLSA-N 2 2 288.395 2.887 10 0 CFAELP CC(=O)Nc1ccccc1[C@@H]1CCCCC[N@@H+]1CC[NH3+] ZINC000616633998 352394317 /nfs/dbraw/zinc/39/43/17/352394317.db2.gz VAVGMKSPBTXDIT-INIZCTEOSA-N 2 2 275.396 2.521 10 0 CFAELP CC(=O)Nc1ccccc1[C@@H]1CCCCC[N@H+]1CC[NH3+] ZINC000616633998 352394321 /nfs/dbraw/zinc/39/43/21/352394321.db2.gz VAVGMKSPBTXDIT-INIZCTEOSA-N 2 2 275.396 2.521 10 0 CFAELP c1ccc(C[N@@H+]2CCO[C@H](Nc3cccc[nH+]3)CC2)cc1 ZINC000616664028 352403403 /nfs/dbraw/zinc/40/34/03/352403403.db2.gz LSJGIXYQTCXXFE-KRWDZBQOSA-N 2 2 283.375 2.742 10 0 CFAELP c1ccc(C[N@H+]2CCO[C@H](Nc3cccc[nH+]3)CC2)cc1 ZINC000616664028 352403406 /nfs/dbraw/zinc/40/34/06/352403406.db2.gz LSJGIXYQTCXXFE-KRWDZBQOSA-N 2 2 283.375 2.742 10 0 CFAELP Nc1[nH+]cccc1[C@@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616664655 352403653 /nfs/dbraw/zinc/40/36/53/352403653.db2.gz RIPKJONVBBOUGK-INIZCTEOSA-N 2 2 283.375 2.627 10 0 CFAELP Nc1[nH+]cccc1[C@@H]1CC[N@@H+](Cc2ccccc2)CCO1 ZINC000616664655 352403658 /nfs/dbraw/zinc/40/36/58/352403658.db2.gz RIPKJONVBBOUGK-INIZCTEOSA-N 2 2 283.375 2.627 10 0 CFAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1Cl ZINC000177244829 189038663 /nfs/dbraw/zinc/03/86/63/189038663.db2.gz MBJATGVCMCLZJJ-KGLIPLIRSA-N 2 2 296.842 2.837 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000180124156 189238125 /nfs/dbraw/zinc/23/81/25/189238125.db2.gz KEXUYWVZCYRVJU-OAHLLOKOSA-N 2 2 299.374 2.585 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc2c1OCO2 ZINC000180124156 189238126 /nfs/dbraw/zinc/23/81/26/189238126.db2.gz KEXUYWVZCYRVJU-OAHLLOKOSA-N 2 2 299.374 2.585 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnn(C(C)C)c1 ZINC000180129219 189238550 /nfs/dbraw/zinc/23/85/50/189238550.db2.gz NURMFLIRQHZHND-MRXNPFEDSA-N 2 2 287.411 2.634 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnn(C(C)C)c1 ZINC000180129219 189238551 /nfs/dbraw/zinc/23/85/51/189238551.db2.gz NURMFLIRQHZHND-MRXNPFEDSA-N 2 2 287.411 2.634 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ncccc2C)C1 ZINC000180481468 189257933 /nfs/dbraw/zinc/25/79/33/189257933.db2.gz KUBAIHSITBZKTB-HNNXBMFYSA-N 2 2 284.407 2.986 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ncccc2C)C1 ZINC000180481468 189257934 /nfs/dbraw/zinc/25/79/34/189257934.db2.gz KUBAIHSITBZKTB-HNNXBMFYSA-N 2 2 284.407 2.986 10 0 CFAELP c1cn(CCC[N@@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c[nH+]1 ZINC000275903967 193159419 /nfs/dbraw/zinc/15/94/19/193159419.db2.gz IQUQDWIBGKQGGX-MRXNPFEDSA-N 2 2 299.422 2.712 10 0 CFAELP c1cn(CCC[N@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c[nH+]1 ZINC000275903967 193159421 /nfs/dbraw/zinc/15/94/21/193159421.db2.gz IQUQDWIBGKQGGX-MRXNPFEDSA-N 2 2 299.422 2.712 10 0 CFAELP Cc1nc(N2CCC(C[NH3+])CC2)cc(-c2ccccc2)[nH+]1 ZINC000011849566 371931725 /nfs/dbraw/zinc/93/17/25/371931725.db2.gz PYRQUCFBUJEODP-UHFFFAOYSA-N 2 2 282.391 2.627 10 0 CFAELP COCC[N@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000061374969 373715976 /nfs/dbraw/zinc/71/59/76/373715976.db2.gz PRSXTSPBHIMZEQ-GJZGRUSLSA-N 2 2 270.461 2.759 10 0 CFAELP COCC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000061374969 373715983 /nfs/dbraw/zinc/71/59/83/373715983.db2.gz PRSXTSPBHIMZEQ-GJZGRUSLSA-N 2 2 270.461 2.759 10 0 CFAELP c1coc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812785 375157914 /nfs/dbraw/zinc/15/79/14/375157914.db2.gz HHPCIVABXAGPTM-CYBMUJFWSA-N 2 2 257.337 2.609 10 0 CFAELP c1coc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812785 375157919 /nfs/dbraw/zinc/15/79/19/375157919.db2.gz HHPCIVABXAGPTM-CYBMUJFWSA-N 2 2 257.337 2.609 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCCOC)C1 ZINC000117880729 376263508 /nfs/dbraw/zinc/26/35/08/376263508.db2.gz OFYKRPBRFLYVJX-AWEZNQCLSA-N 2 2 265.401 2.509 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCCOC)C1 ZINC000117880729 376263513 /nfs/dbraw/zinc/26/35/13/376263513.db2.gz OFYKRPBRFLYVJX-AWEZNQCLSA-N 2 2 265.401 2.509 10 0 CFAELP Cc1cc(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000129815747 377476035 /nfs/dbraw/zinc/47/60/35/377476035.db2.gz NAUGIOLJBSXURW-SMDDNHRTSA-N 2 2 274.412 2.803 10 0 CFAELP Cc1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000129815747 377476044 /nfs/dbraw/zinc/47/60/44/377476044.db2.gz NAUGIOLJBSXURW-SMDDNHRTSA-N 2 2 274.412 2.803 10 0 CFAELP Cc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(C)s1 ZINC000151257718 378312702 /nfs/dbraw/zinc/31/27/02/378312702.db2.gz GHJXKSKXWOCMQS-DZGCQCFKSA-N 2 2 296.480 2.862 10 0 CFAELP Brc1sccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335655984 379671047 /nfs/dbraw/zinc/67/10/47/379671047.db2.gz GNIWJXCLBZKODB-SNVBAGLBSA-N 2 2 289.242 2.742 10 0 CFAELP C[C@@H]([NH2+]Cc1ccc(CO)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651186 379923743 /nfs/dbraw/zinc/92/37/43/379923743.db2.gz FWLQEKIQARSKRU-CYBMUJFWSA-N 2 2 297.358 2.808 10 0 CFAELP CC[N@@H+]1CCC[C@H]1CN(C)Cc1cn2cc(C)ccc2[nH+]1 ZINC000175343407 380048454 /nfs/dbraw/zinc/04/84/54/380048454.db2.gz QJVHJUJBZRKSRL-INIZCTEOSA-N 2 2 286.423 2.559 10 0 CFAELP CC[N@H+]1CCC[C@H]1CN(C)Cc1cn2cc(C)ccc2[nH+]1 ZINC000175343407 380048455 /nfs/dbraw/zinc/04/84/55/380048455.db2.gz QJVHJUJBZRKSRL-INIZCTEOSA-N 2 2 286.423 2.559 10 0 CFAELP c1csc([C@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)n1 ZINC000182743925 381150295 /nfs/dbraw/zinc/15/02/95/381150295.db2.gz WXNCAEJDPQWMIY-CYBMUJFWSA-N 2 2 276.409 2.957 10 0 CFAELP c1csc([C@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)n1 ZINC000182743925 381150299 /nfs/dbraw/zinc/15/02/99/381150299.db2.gz WXNCAEJDPQWMIY-CYBMUJFWSA-N 2 2 276.409 2.957 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000185203671 381562661 /nfs/dbraw/zinc/56/26/61/381562661.db2.gz CFTMSKLWZMARBN-ZNMIVQPWSA-N 2 2 268.445 2.652 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000185203671 381562668 /nfs/dbraw/zinc/56/26/68/381562668.db2.gz CFTMSKLWZMARBN-ZNMIVQPWSA-N 2 2 268.445 2.652 10 0 CFAELP C[C@@H]1[C@@H]([NH2+]CCn2cc[nH+]c2)CCCN1Cc1ccccc1 ZINC000293248641 382047362 /nfs/dbraw/zinc/04/73/62/382047362.db2.gz BMXNKVWSABJGPV-AEFFLSMTSA-N 2 2 298.434 2.526 10 0 CFAELP C[C@H]1[C@@H]([NH2+]CCn2cc[nH+]c2)CCCN1Cc1ccccc1 ZINC000293248653 382047864 /nfs/dbraw/zinc/04/78/64/382047864.db2.gz BMXNKVWSABJGPV-WMZOPIPTSA-N 2 2 298.434 2.526 10 0 CFAELP CCC[N@H+]1CCCN(c2cc[nH+]cc2Cl)CC1 ZINC000301560348 382177258 /nfs/dbraw/zinc/17/72/58/382177258.db2.gz IFRSBSJPFMIUNO-UHFFFAOYSA-N 2 2 253.777 2.657 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000381181871 382518256 /nfs/dbraw/zinc/51/82/56/382518256.db2.gz QENRBJVMTOSWAG-RRFJBIMHSA-N 2 2 267.376 2.717 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000189218193 382568466 /nfs/dbraw/zinc/56/84/66/382568466.db2.gz RVILXKAPNBRLMG-GJZGRUSLSA-N 2 2 277.412 2.652 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000189218193 382568472 /nfs/dbraw/zinc/56/84/72/382568472.db2.gz RVILXKAPNBRLMG-GJZGRUSLSA-N 2 2 277.412 2.652 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(OC)cc32)C1 ZINC000389211280 382612400 /nfs/dbraw/zinc/61/24/00/382612400.db2.gz BYQDXVDPKBLAEN-YOEHRIQHSA-N 2 2 274.408 2.756 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(OC)cc32)C1 ZINC000389211280 382612406 /nfs/dbraw/zinc/61/24/06/382612406.db2.gz BYQDXVDPKBLAEN-YOEHRIQHSA-N 2 2 274.408 2.756 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(Br)c2)C1 ZINC000389222981 382612656 /nfs/dbraw/zinc/61/26/56/382612656.db2.gz GBGDSNUDUWSSQA-ZDUSSCGKSA-N 2 2 297.240 2.941 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(Br)c2)C1 ZINC000389222981 382612657 /nfs/dbraw/zinc/61/26/57/382612657.db2.gz GBGDSNUDUWSSQA-ZDUSSCGKSA-N 2 2 297.240 2.941 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000389271235 382612690 /nfs/dbraw/zinc/61/26/90/382612690.db2.gz RAYWDHMMLBZELR-SIWZUTFBSA-N 2 2 262.372 2.756 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000389271235 382612695 /nfs/dbraw/zinc/61/26/95/382612695.db2.gz RAYWDHMMLBZELR-SIWZUTFBSA-N 2 2 262.372 2.756 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000389404481 382614490 /nfs/dbraw/zinc/61/44/90/382614490.db2.gz LNKPSPYLUOIVEU-HOCLYGCPSA-N 2 2 276.424 2.700 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000389404481 382614494 /nfs/dbraw/zinc/61/44/94/382614494.db2.gz LNKPSPYLUOIVEU-HOCLYGCPSA-N 2 2 276.424 2.700 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(OC)c2)C1 ZINC000389455532 382614622 /nfs/dbraw/zinc/61/46/22/382614622.db2.gz RGYXYSUXCGQCRT-YPMHNXCESA-N 2 2 266.360 2.579 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(OC)c2)C1 ZINC000389455532 382614625 /nfs/dbraw/zinc/61/46/25/382614625.db2.gz RGYXYSUXCGQCRT-YPMHNXCESA-N 2 2 266.360 2.579 10 0 CFAELP C[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000390632228 382618016 /nfs/dbraw/zinc/61/80/16/382618016.db2.gz BSKXGYNMKUIKQY-GDBMZVCRSA-N 2 2 278.440 2.504 10 0 CFAELP C[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000390632228 382618017 /nfs/dbraw/zinc/61/80/17/382618017.db2.gz BSKXGYNMKUIKQY-GDBMZVCRSA-N 2 2 278.440 2.504 10 0 CFAELP O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390650685 382618596 /nfs/dbraw/zinc/61/85/96/382618596.db2.gz WIWKFVWLCIRBGF-RCCFBDPRSA-N 2 2 288.435 2.544 10 0 CFAELP O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390650685 382618598 /nfs/dbraw/zinc/61/85/98/382618598.db2.gz WIWKFVWLCIRBGF-RCCFBDPRSA-N 2 2 288.435 2.544 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cncc(C)c1 ZINC000189916371 382645129 /nfs/dbraw/zinc/64/51/29/382645129.db2.gz FDLHYEXYBOVPPC-MRXNPFEDSA-N 2 2 270.380 2.560 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cncc(C)c1 ZINC000189916371 382645130 /nfs/dbraw/zinc/64/51/30/382645130.db2.gz FDLHYEXYBOVPPC-MRXNPFEDSA-N 2 2 270.380 2.560 10 0 CFAELP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000191504027 382701120 /nfs/dbraw/zinc/70/11/20/382701120.db2.gz UYASUCUWDGOTBR-INIZCTEOSA-N 3 2 290.455 2.547 10 0 CFAELP CC[NH+](CC)CCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000191504027 382701121 /nfs/dbraw/zinc/70/11/21/382701121.db2.gz UYASUCUWDGOTBR-INIZCTEOSA-N 3 2 290.455 2.547 10 0 CFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C2CCCC2)C1 ZINC000195269773 382765701 /nfs/dbraw/zinc/76/57/01/382765701.db2.gz VPDILBABBRTBCB-MRXNPFEDSA-N 2 2 273.424 2.778 10 0 CFAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C2CCCC2)C1 ZINC000195269773 382765702 /nfs/dbraw/zinc/76/57/02/382765702.db2.gz VPDILBABBRTBCB-MRXNPFEDSA-N 2 2 273.424 2.778 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000195269773 382765703 /nfs/dbraw/zinc/76/57/03/382765703.db2.gz VPDILBABBRTBCB-MRXNPFEDSA-N 2 2 273.424 2.778 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000195269773 382765704 /nfs/dbraw/zinc/76/57/04/382765704.db2.gz VPDILBABBRTBCB-MRXNPFEDSA-N 2 2 273.424 2.778 10 0 CFAELP [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000237970404 382975095 /nfs/dbraw/zinc/97/50/95/382975095.db2.gz QZFLWYKFHUUKSS-QWHCGFSZSA-N 2 2 297.358 2.940 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000249125499 383329094 /nfs/dbraw/zinc/32/90/94/383329094.db2.gz QROXGJNTWPLZAL-HIFRSBDPSA-N 2 2 264.388 2.831 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000249125499 383329098 /nfs/dbraw/zinc/32/90/98/383329098.db2.gz QROXGJNTWPLZAL-HIFRSBDPSA-N 2 2 264.388 2.831 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)C2CCSCC2)C1 ZINC000250050478 383368978 /nfs/dbraw/zinc/36/89/78/383368978.db2.gz LVWBDCWBBGXTNV-TZMCWYRMSA-N 2 2 256.459 2.592 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)C2CCSCC2)C1 ZINC000250050478 383368981 /nfs/dbraw/zinc/36/89/81/383368981.db2.gz LVWBDCWBBGXTNV-TZMCWYRMSA-N 2 2 256.459 2.592 10 0 CFAELP Nc1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000261697037 383543309 /nfs/dbraw/zinc/54/33/09/383543309.db2.gz NQLFTLPFEUNPPW-OAHLLOKOSA-N 2 2 282.391 2.598 10 0 CFAELP Nc1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000261697037 383543315 /nfs/dbraw/zinc/54/33/15/383543315.db2.gz NQLFTLPFEUNPPW-OAHLLOKOSA-N 2 2 282.391 2.598 10 0 CFAELP C[C@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)C[C@@H]1[NH3+] ZINC000261938430 383583477 /nfs/dbraw/zinc/58/34/77/383583477.db2.gz DLEOKVXPSWZOFD-GUYCJALGSA-N 2 2 274.408 2.787 10 0 CFAELP C[C@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)C[C@@H]1[NH3+] ZINC000261938430 383583481 /nfs/dbraw/zinc/58/34/81/383583481.db2.gz DLEOKVXPSWZOFD-GUYCJALGSA-N 2 2 274.408 2.787 10 0 CFAELP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261979038 383590190 /nfs/dbraw/zinc/59/01/90/383590190.db2.gz JASLCAVAHKDSOW-FZMZJTMJSA-N 2 2 252.789 2.736 10 0 CFAELP Cc1cc(Cl)cc(C)c1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261979038 383590193 /nfs/dbraw/zinc/59/01/93/383590193.db2.gz JASLCAVAHKDSOW-FZMZJTMJSA-N 2 2 252.789 2.736 10 0 CFAELP CC(C)(C)c1cnc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000262038318 383598921 /nfs/dbraw/zinc/59/89/21/383598921.db2.gz XZGMJJRFVKQHBD-QJPTWQEYSA-N 2 2 279.453 2.610 10 0 CFAELP CC(C)(C)c1cnc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000262038318 383598924 /nfs/dbraw/zinc/59/89/24/383598924.db2.gz XZGMJJRFVKQHBD-QJPTWQEYSA-N 2 2 279.453 2.610 10 0 CFAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000570450768 383605095 /nfs/dbraw/zinc/60/50/95/383605095.db2.gz SZDYFXYGFZFRIP-KXNHARMFSA-N 2 2 264.335 2.647 10 0 CFAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000570450768 383605100 /nfs/dbraw/zinc/60/51/00/383605100.db2.gz SZDYFXYGFZFRIP-KXNHARMFSA-N 2 2 264.335 2.647 10 0 CFAELP C[N@H+](Cc1ccsc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000261755507 383554172 /nfs/dbraw/zinc/55/41/72/383554172.db2.gz CMCOTYOOIVIJHK-LLVKDONJSA-N 2 2 258.818 2.975 10 0 CFAELP C[N@@H+](Cc1ccsc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000261755507 383554174 /nfs/dbraw/zinc/55/41/74/383554174.db2.gz CMCOTYOOIVIJHK-LLVKDONJSA-N 2 2 258.818 2.975 10 0 CFAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000343137719 393879997 /nfs/dbraw/zinc/87/99/97/393879997.db2.gz AFHLSWIOOZFYBX-RHYQMDGZSA-N 2 2 264.335 2.647 10 0 CFAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000343137719 393880003 /nfs/dbraw/zinc/88/00/03/393880003.db2.gz AFHLSWIOOZFYBX-RHYQMDGZSA-N 2 2 264.335 2.647 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1F ZINC000358404914 394107428 /nfs/dbraw/zinc/10/74/28/394107428.db2.gz QTCQXNBXBOOPSF-HUBLWGQQSA-N 2 2 250.361 2.735 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1F ZINC000358404914 394107431 /nfs/dbraw/zinc/10/74/31/394107431.db2.gz QTCQXNBXBOOPSF-HUBLWGQQSA-N 2 2 250.361 2.735 10 0 CFAELP c1n[nH]cc1[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161829570 394367958 /nfs/dbraw/zinc/36/79/58/394367958.db2.gz HLMGVOGIEBWBCP-MRXNPFEDSA-N 2 2 276.428 2.813 10 0 CFAELP c1n[nH]cc1[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161829570 394367960 /nfs/dbraw/zinc/36/79/60/394367960.db2.gz HLMGVOGIEBWBCP-MRXNPFEDSA-N 2 2 276.428 2.813 10 0 CFAELP C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000037163880 543026762 /nfs/dbraw/zinc/02/67/62/543026762.db2.gz MTXPXVXELWOCSE-LXZKKBNFSA-N 2 2 285.391 2.826 10 0 CFAELP COc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1C ZINC000194642234 543094846 /nfs/dbraw/zinc/09/48/46/543094846.db2.gz NUAPSBCUOCGMOV-INIZCTEOSA-N 2 2 285.391 2.865 10 0 CFAELP COc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1C ZINC000194642234 543094851 /nfs/dbraw/zinc/09/48/51/543094851.db2.gz NUAPSBCUOCGMOV-INIZCTEOSA-N 2 2 285.391 2.865 10 0 CFAELP Cc1[nH+]cc(C[NH2+][C@H](C)c2cc(F)ccc2F)n1C ZINC000657300822 413419884 /nfs/dbraw/zinc/41/98/84/413419884.db2.gz NMEYXPCRTOAMBP-SECBINFHSA-N 2 2 265.307 2.858 10 0 CFAELP CCn1c2ccccc2[nH+]c1NCC[NH+](CC)CC ZINC000005817827 170143487 /nfs/dbraw/zinc/14/34/87/170143487.db2.gz KTJYAJSHNCZUJX-UHFFFAOYSA-N 2 2 260.385 2.810 10 0 CFAELP COc1ccc(C[N@H+](C)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000020225391 171088470 /nfs/dbraw/zinc/08/84/70/171088470.db2.gz KYVFIVODPZZLTE-QGZVFWFLSA-N 2 2 270.376 2.827 10 0 CFAELP COc1ccc(C[N@@H+](C)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000020225391 171088472 /nfs/dbraw/zinc/08/84/72/171088472.db2.gz KYVFIVODPZZLTE-QGZVFWFLSA-N 2 2 270.376 2.827 10 0 CFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)Cc1ccccc1Cl ZINC000035570222 172265562 /nfs/dbraw/zinc/26/55/62/172265562.db2.gz JXMJLDZOZDACGW-LBPRGKRZSA-N 2 2 263.772 2.826 10 0 CFAELP Cc1ccc(C[N@@H+](C)[C@@H](C[NH3+])C2CCCCC2)o1 ZINC000035699322 172367721 /nfs/dbraw/zinc/36/77/21/172367721.db2.gz OLEUAFOZGOAGEZ-HNNXBMFYSA-N 2 2 250.386 2.927 10 0 CFAELP Cc1ccc(C[N@H+](C)[C@@H](C[NH3+])C2CCCCC2)o1 ZINC000035699322 172367722 /nfs/dbraw/zinc/36/77/22/172367722.db2.gz OLEUAFOZGOAGEZ-HNNXBMFYSA-N 2 2 250.386 2.927 10 0 CFAELP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1nccn1C(F)F ZINC000037302544 173108165 /nfs/dbraw/zinc/10/81/65/173108165.db2.gz YQYVCMXCXNMGFX-GFCCVEGCSA-N 2 2 286.370 2.632 10 0 CFAELP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1nccn1C(F)F ZINC000037302544 173108168 /nfs/dbraw/zinc/10/81/68/173108168.db2.gz YQYVCMXCXNMGFX-GFCCVEGCSA-N 2 2 286.370 2.632 10 0 CFAELP CCn1c2ccc(Br)cc2[nH+]c1CCC[NH3+] ZINC000037441525 173211149 /nfs/dbraw/zinc/21/11/49/173211149.db2.gz USGVAQUGNQZJLY-UHFFFAOYSA-N 2 2 282.185 2.710 10 0 CFAELP C[C@H](c1ccc(Br)s1)[NH+]1CCC([NH3+])CC1 ZINC000038003526 173965254 /nfs/dbraw/zinc/96/52/54/173965254.db2.gz OQLIXIOBGDRSRV-MRVPVSSYSA-N 2 2 289.242 2.995 10 0 CFAELP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000038028852 174018843 /nfs/dbraw/zinc/01/88/43/174018843.db2.gz BFGMMWABBGFTKK-HZPDHXFCSA-N 3 2 281.488 2.571 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2nc(C)cs2)C1 ZINC000038090932 174105033 /nfs/dbraw/zinc/10/50/33/174105033.db2.gz OGTVYQWLHIMGCL-CHWSQXEVSA-N 2 2 267.442 2.662 10 0 CFAELP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2nc(C)cs2)C1 ZINC000038090932 174105035 /nfs/dbraw/zinc/10/50/35/174105035.db2.gz OGTVYQWLHIMGCL-CHWSQXEVSA-N 2 2 267.442 2.662 10 0 CFAELP C[N@@H+](Cc1ccccc1)C[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000038137780 174133968 /nfs/dbraw/zinc/13/39/68/174133968.db2.gz SRUICLOLPQHETR-HNNXBMFYSA-N 2 2 284.359 2.547 10 0 CFAELP C[N@H+](Cc1ccccc1)C[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000038137780 174133970 /nfs/dbraw/zinc/13/39/70/174133970.db2.gz SRUICLOLPQHETR-HNNXBMFYSA-N 2 2 284.359 2.547 10 0 CFAELP CCc1c[nH+]cc2cccc(NC3CC[NH2+]CC3)c21 ZINC000038599630 174149412 /nfs/dbraw/zinc/14/94/12/174149412.db2.gz MFMGQXWPGLUSIS-UHFFFAOYSA-N 2 2 255.365 2.961 10 0 CFAELP CCOc1ccccc1[C@@H](C[NH3+])[NH+]1CCCCCC1 ZINC000038860886 174157780 /nfs/dbraw/zinc/15/77/80/174157780.db2.gz KXPYNNJXVQJDNU-OAHLLOKOSA-N 2 2 262.397 2.961 10 0 CFAELP CCCOc1ccc([C@@H](C[NH3+])[NH+](CC)CC)cc1 ZINC000039789129 174173108 /nfs/dbraw/zinc/17/31/08/174173108.db2.gz HJOWGNJMVVVHIY-OAHLLOKOSA-N 2 2 250.386 2.817 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000040502502 174298980 /nfs/dbraw/zinc/29/89/80/174298980.db2.gz MJQUFCVOBOOSOC-SUMWQHHRSA-N 2 2 289.423 2.780 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000040502502 174298981 /nfs/dbraw/zinc/29/89/81/174298981.db2.gz MJQUFCVOBOOSOC-SUMWQHHRSA-N 2 2 289.423 2.780 10 0 CFAELP CC(C)[N@@H+]1CC[C@H](C[NH2+]c2cc3ccccc3c(=O)[nH]2)C1 ZINC000040623738 174355439 /nfs/dbraw/zinc/35/54/39/174355439.db2.gz RVHBRCCPMQXPHD-CYBMUJFWSA-N 2 2 285.391 2.670 10 0 CFAELP CC(C)[N@H+]1CC[C@H](C[NH2+]c2cc3ccccc3c(=O)[nH]2)C1 ZINC000040623738 174355441 /nfs/dbraw/zinc/35/54/41/174355441.db2.gz RVHBRCCPMQXPHD-CYBMUJFWSA-N 2 2 285.391 2.670 10 0 CFAELP C[C@H]([NH2+]CCc1[nH+]ccn1C)c1ccc(F)cc1F ZINC000040638784 174362699 /nfs/dbraw/zinc/36/26/99/174362699.db2.gz IRXYYVUTCXKRML-JTQLQIEISA-N 2 2 265.307 2.592 10 0 CFAELP CC(C)Oc1cccc([C@@H](C[NH3+])[N@H+](C)C2CCOCC2)c1 ZINC000040641274 174364624 /nfs/dbraw/zinc/36/46/24/174364624.db2.gz HELIMOVUZNTRTJ-QGZVFWFLSA-N 2 2 292.423 2.584 10 0 CFAELP CC(C)Oc1cccc([C@@H](C[NH3+])[N@@H+](C)C2CCOCC2)c1 ZINC000040641274 174364626 /nfs/dbraw/zinc/36/46/26/174364626.db2.gz HELIMOVUZNTRTJ-QGZVFWFLSA-N 2 2 292.423 2.584 10 0 CFAELP CCOC1CC[NH+]([C@]2(C[NH3+])CCCc3ccccc32)CC1 ZINC000040678745 174374531 /nfs/dbraw/zinc/37/45/31/174374531.db2.gz GSOOFLAAWKKSIC-SFHVURJKSA-N 2 2 288.435 2.678 10 0 CFAELP CCOC1CC[NH+]([C@H](C[NH3+])c2ccc(CC)cc2)CC1 ZINC000040689125 174375904 /nfs/dbraw/zinc/37/59/04/174375904.db2.gz VFPQMYXGCFRNBY-QGZVFWFLSA-N 2 2 276.424 2.750 10 0 CFAELP Nc1c(Nc2cc[nH+]cc2)nc[nH+]c1NC1CCCCC1 ZINC000040687508 174375912 /nfs/dbraw/zinc/37/59/12/174375912.db2.gz HBHRSZFVZDFAQC-UHFFFAOYSA-N 2 2 284.367 2.942 10 0 CFAELP [NH3+]Cc1ccccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693609 174377406 /nfs/dbraw/zinc/37/74/06/174377406.db2.gz HNILOEMKWNWSBB-UHFFFAOYSA-N 3 2 287.451 2.596 10 0 CFAELP COc1ccc([C@@H]([C@H](C)[NH3+])[N@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000042961573 174926793 /nfs/dbraw/zinc/92/67/93/174926793.db2.gz DLRGAKDDBNUSPB-RRQGHBQHSA-N 2 2 292.423 2.584 10 0 CFAELP COc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000042961573 174926795 /nfs/dbraw/zinc/92/67/95/174926795.db2.gz DLRGAKDDBNUSPB-RRQGHBQHSA-N 2 2 292.423 2.584 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@H](c1ccco1)[C@H](C)[NH3+] ZINC000043336396 175012538 /nfs/dbraw/zinc/01/25/38/175012538.db2.gz QWVATBKBRRUJPI-BONVTDFDSA-N 2 2 255.321 2.874 10 0 CFAELP Cc1cc2[nH+]cn([C@H](c3ccccn3)[C@@H](C)[NH3+])c2cc1C ZINC000043341370 175015324 /nfs/dbraw/zinc/01/53/24/175015324.db2.gz BACYUNFOYCOZHJ-DYVFJYSZSA-N 2 2 280.375 2.985 10 0 CFAELP Cc1cc2[nH+]cn([C@@H](c3ccccn3)[C@@H](C)[NH3+])c2cc1C ZINC000043341369 175015410 /nfs/dbraw/zinc/01/54/10/175015410.db2.gz BACYUNFOYCOZHJ-CXAGYDPISA-N 2 2 280.375 2.985 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+](CC1CC1)C(C)C ZINC000043340962 175015461 /nfs/dbraw/zinc/01/54/61/175015461.db2.gz VUCKBZIXOPIQLX-HOCLYGCPSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](CC1CC1)C(C)C ZINC000043340962 175015463 /nfs/dbraw/zinc/01/54/63/175015463.db2.gz VUCKBZIXOPIQLX-HOCLYGCPSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043345752 175016840 /nfs/dbraw/zinc/01/68/40/175016840.db2.gz CFQMXLDAZKEVSQ-LQKXBSAESA-N 2 2 261.413 2.838 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043345752 175016842 /nfs/dbraw/zinc/01/68/42/175016842.db2.gz CFQMXLDAZKEVSQ-LQKXBSAESA-N 2 2 261.413 2.838 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[NH+]1CCC(CC)CC1 ZINC000043347422 175018259 /nfs/dbraw/zinc/01/82/59/175018259.db2.gz ZPXCYLGIQNCIRH-HOTGVXAUSA-N 2 2 261.413 2.982 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@@H](c1cccnc1)[C@H](C)[NH3+] ZINC000043348796 175018566 /nfs/dbraw/zinc/01/85/66/175018566.db2.gz HHLDHLZTJOVQNM-MEDUHNTESA-N 2 2 266.348 2.676 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+]1CCC[C@@H](CC)C1 ZINC000043353673 175020683 /nfs/dbraw/zinc/02/06/83/175020683.db2.gz QTHAJSFLLRMHEP-BMFZPTHFSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+]1CCC[C@@H](CC)C1 ZINC000043353673 175020684 /nfs/dbraw/zinc/02/06/84/175020684.db2.gz QTHAJSFLLRMHEP-BMFZPTHFSA-N 2 2 261.413 2.982 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354919 175023047 /nfs/dbraw/zinc/02/30/47/175023047.db2.gz NORLDHRZIXUOOH-BDJLRTHQSA-N 2 2 266.348 2.676 10 0 CFAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000043363824 175024414 /nfs/dbraw/zinc/02/44/14/175024414.db2.gz PGGFLDIYLQMBTG-NDPMZMCLSA-N 2 2 250.386 2.954 10 0 CFAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000043363824 175024416 /nfs/dbraw/zinc/02/44/16/175024416.db2.gz PGGFLDIYLQMBTG-NDPMZMCLSA-N 2 2 250.386 2.954 10 0 CFAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)CCc2ccncc2)o1 ZINC000043364520 175025474 /nfs/dbraw/zinc/02/54/74/175025474.db2.gz ACQSJHJUBZBSPM-CZUORRHYSA-N 2 2 273.380 2.546 10 0 CFAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)CCc2ccncc2)o1 ZINC000043364520 175025476 /nfs/dbraw/zinc/02/54/76/175025476.db2.gz ACQSJHJUBZBSPM-CZUORRHYSA-N 2 2 273.380 2.546 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+]1CCCSCC1 ZINC000043364691 175025717 /nfs/dbraw/zinc/02/57/17/175025717.db2.gz LEOLPEWUXRNKDF-TZMCWYRMSA-N 2 2 268.426 2.805 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+]1CCCSCC1 ZINC000043364691 175025719 /nfs/dbraw/zinc/02/57/19/175025719.db2.gz LEOLPEWUXRNKDF-TZMCWYRMSA-N 2 2 268.426 2.805 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](CCO)C1CCCC1 ZINC000043365206 175026798 /nfs/dbraw/zinc/02/67/98/175026798.db2.gz CAKOZXVYZWUHJO-GOEBONIOSA-N 2 2 280.412 2.603 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](CCO)C1CCCC1 ZINC000043365206 175026799 /nfs/dbraw/zinc/02/67/99/175026799.db2.gz CAKOZXVYZWUHJO-GOEBONIOSA-N 2 2 280.412 2.603 10 0 CFAELP CCC[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1OC ZINC000043807614 175109013 /nfs/dbraw/zinc/10/90/13/175109013.db2.gz MWORFMHAWYVCBY-OAHLLOKOSA-N 2 2 262.397 2.832 10 0 CFAELP CC[NH2+][C@@H](C[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC000043816062 175112637 /nfs/dbraw/zinc/11/26/37/175112637.db2.gz GDTVLHSXEDKWGH-DQGBIZLVSA-N 2 2 250.430 2.743 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@H]1[N@H+](C)CCc1ccccn1 ZINC000043818942 175113829 /nfs/dbraw/zinc/11/38/29/175113829.db2.gz MLORALCXXLEBFF-DLBZAZTESA-N 2 2 275.440 2.867 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818942 175113830 /nfs/dbraw/zinc/11/38/30/175113830.db2.gz MLORALCXXLEBFF-DLBZAZTESA-N 2 2 275.440 2.867 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+]1CCCC[C@@H]1CC)OCCO2 ZINC000043883438 175115998 /nfs/dbraw/zinc/11/59/98/175115998.db2.gz WZFDZYAYUMHODP-HRCADAONSA-N 2 2 296.455 2.525 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+]1CCCC[C@@H]1CC)OCCO2 ZINC000043883438 175115999 /nfs/dbraw/zinc/11/59/99/175115999.db2.gz WZFDZYAYUMHODP-HRCADAONSA-N 2 2 296.455 2.525 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@@H+]1CCOC[C@@H]1CC ZINC000043899239 175121784 /nfs/dbraw/zinc/12/17/84/175121784.db2.gz IUHMFPIFXOVSGR-ZNMIVQPWSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@H+]1CCOC[C@@H]1CC ZINC000043899239 175121787 /nfs/dbraw/zinc/12/17/87/175121787.db2.gz IUHMFPIFXOVSGR-ZNMIVQPWSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@H](CC)[N@@H+]1CCOC[C@@H]1CC ZINC000043899236 175121949 /nfs/dbraw/zinc/12/19/49/175121949.db2.gz IUHMFPIFXOVSGR-KKUMJFAQSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@H](CC)[N@H+]1CCOC[C@@H]1CC ZINC000043899236 175121950 /nfs/dbraw/zinc/12/19/50/175121950.db2.gz IUHMFPIFXOVSGR-KKUMJFAQSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@H]1[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900110 175122112 /nfs/dbraw/zinc/12/21/12/175122112.db2.gz BNVMOIUSFHANKI-VVLHAWIVSA-N 2 2 280.456 2.656 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@H]1[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900110 175122114 /nfs/dbraw/zinc/12/21/14/175122114.db2.gz BNVMOIUSFHANKI-VVLHAWIVSA-N 2 2 280.456 2.656 10 0 CFAELP C[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)C1CCCCCC1)OCCO2 ZINC000043899597 175122143 /nfs/dbraw/zinc/12/21/43/175122143.db2.gz BGLYWHBTLSIRBG-HOTGVXAUSA-N 2 2 296.455 2.525 10 0 CFAELP C[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)C1CCCCCC1)OCCO2 ZINC000043899597 175122144 /nfs/dbraw/zinc/12/21/44/175122144.db2.gz BGLYWHBTLSIRBG-HOTGVXAUSA-N 2 2 296.455 2.525 10 0 CFAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](C)CCc1ccncc1 ZINC000043902038 175122155 /nfs/dbraw/zinc/12/21/55/175122155.db2.gz UHOJWBWMESIZPL-UAGQMJEPSA-N 2 2 275.440 2.723 10 0 CFAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902038 175122157 /nfs/dbraw/zinc/12/21/57/175122157.db2.gz UHOJWBWMESIZPL-UAGQMJEPSA-N 2 2 275.440 2.723 10 0 CFAELP CCC[NH2+][C@@H](CC)[C@@H](C)[N@H+](C)CCc1ccncc1 ZINC000043902259 175122532 /nfs/dbraw/zinc/12/25/32/175122532.db2.gz QSHIXLYAOPWXKL-ZBFHGGJFSA-N 2 2 263.429 2.723 10 0 CFAELP CCC[NH2+][C@@H](CC)[C@@H](C)[N@@H+](C)CCc1ccncc1 ZINC000043902259 175122533 /nfs/dbraw/zinc/12/25/33/175122533.db2.gz QSHIXLYAOPWXKL-ZBFHGGJFSA-N 2 2 263.429 2.723 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2OC[C@H]1[N@@H+]1CCC[C@@H]1C ZINC000043903385 175122961 /nfs/dbraw/zinc/12/29/61/175122961.db2.gz GSJGZXMWYVQUEI-BJJXKVORSA-N 2 2 260.381 2.583 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2OC[C@H]1[N@H+]1CCC[C@@H]1C ZINC000043903385 175122963 /nfs/dbraw/zinc/12/29/63/175122963.db2.gz GSJGZXMWYVQUEI-BJJXKVORSA-N 2 2 260.381 2.583 10 0 CFAELP CCC[NH2+][C@@H](CC)[C@H](C)[NH+]1CCC(OCC)CC1 ZINC000043907582 175123248 /nfs/dbraw/zinc/12/32/48/175123248.db2.gz BIOODKMSIKJSLV-ZFWWWQNUSA-N 2 2 256.434 2.654 10 0 CFAELP C[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccccc1OC ZINC000043912165 175123903 /nfs/dbraw/zinc/12/39/03/175123903.db2.gz YONFMWVDSDDXGI-HUUCEWRRSA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccccc1OC ZINC000043912165 175123905 /nfs/dbraw/zinc/12/39/05/175123905.db2.gz YONFMWVDSDDXGI-HUUCEWRRSA-N 2 2 262.397 2.658 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@@H](CC)[N@H+](C)CCOC ZINC000043916084 175125004 /nfs/dbraw/zinc/12/50/04/175125004.db2.gz HKMKFNKGQBPLTR-HZPDHXFCSA-N 2 2 264.413 2.694 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@@H](CC)[N@@H+](C)CCOC ZINC000043916084 175125005 /nfs/dbraw/zinc/12/50/05/175125005.db2.gz HKMKFNKGQBPLTR-HZPDHXFCSA-N 2 2 264.413 2.694 10 0 CFAELP C[NH2+][C@@H](c1ccccc1)[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966349 175128219 /nfs/dbraw/zinc/12/82/19/175128219.db2.gz SOCYPVAOEVULQT-BHYGNILZSA-N 2 2 276.424 2.837 10 0 CFAELP C[NH2+][C@@H](c1ccccc1)[C@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966349 175128220 /nfs/dbraw/zinc/12/82/20/175128220.db2.gz SOCYPVAOEVULQT-BHYGNILZSA-N 2 2 276.424 2.837 10 0 CFAELP CC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](CC)Cc1ccncc1 ZINC000043968913 175129627 /nfs/dbraw/zinc/12/96/27/175129627.db2.gz CQZGBNOSXVDCMM-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](CC)Cc1ccncc1 ZINC000043968913 175129629 /nfs/dbraw/zinc/12/96/29/175129629.db2.gz CQZGBNOSXVDCMM-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1[N@H+](CC)CCOC ZINC000043968775 175129811 /nfs/dbraw/zinc/12/98/11/175129811.db2.gz KEFHCMBRLCECNU-IAGOWNOFSA-N 2 2 276.424 2.620 10 0 CFAELP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1[N@@H+](CC)CCOC ZINC000043968775 175129812 /nfs/dbraw/zinc/12/98/12/175129812.db2.gz KEFHCMBRLCECNU-IAGOWNOFSA-N 2 2 276.424 2.620 10 0 CFAELP CC[N@H+](CCOC)C[C@H]([NH2+]C)c1ccc(C)c(C)c1 ZINC000043968559 175130015 /nfs/dbraw/zinc/13/00/15/175130015.db2.gz QLELNFSTYUWJEK-INIZCTEOSA-N 2 2 264.413 2.532 10 0 CFAELP CC[N@@H+](CCOC)C[C@H]([NH2+]C)c1ccc(C)c(C)c1 ZINC000043968559 175130016 /nfs/dbraw/zinc/13/00/16/175130016.db2.gz QLELNFSTYUWJEK-INIZCTEOSA-N 2 2 264.413 2.532 10 0 CFAELP C[NH2+][C@H](C[N@H+](C)[C@@H](C)COC)c1ccc(C)c(C)c1 ZINC000043969121 175130194 /nfs/dbraw/zinc/13/01/94/175130194.db2.gz DCWGCAYTDLKVHI-GOEBONIOSA-N 2 2 264.413 2.531 10 0 CFAELP C[NH2+][C@H](C[N@@H+](C)[C@@H](C)COC)c1ccc(C)c(C)c1 ZINC000043969121 175130196 /nfs/dbraw/zinc/13/01/96/175130196.db2.gz DCWGCAYTDLKVHI-GOEBONIOSA-N 2 2 264.413 2.531 10 0 CFAELP CC[NH2+][C@@H](C[N@H+](C)[C@@H](C)COC)c1cc(C)ccc1C ZINC000043969244 175130500 /nfs/dbraw/zinc/13/05/00/175130500.db2.gz HDVUYZSKPDZOCX-RDJZCZTQSA-N 2 2 278.440 2.921 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+](C)[C@@H](C)COC)c1cc(C)ccc1C ZINC000043969244 175130501 /nfs/dbraw/zinc/13/05/01/175130501.db2.gz HDVUYZSKPDZOCX-RDJZCZTQSA-N 2 2 278.440 2.921 10 0 CFAELP CC[NH2+][C@H](C[N@H+](C)[C@@H](C)COC)c1ccc(C)c(C)c1 ZINC000043969303 175130737 /nfs/dbraw/zinc/13/07/37/175130737.db2.gz MGBDXFBUUGACKA-DOTOQJQBSA-N 2 2 278.440 2.921 10 0 CFAELP CC[NH2+][C@H](C[N@@H+](C)[C@@H](C)COC)c1ccc(C)c(C)c1 ZINC000043969303 175130738 /nfs/dbraw/zinc/13/07/38/175130738.db2.gz MGBDXFBUUGACKA-DOTOQJQBSA-N 2 2 278.440 2.921 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@@H](C)[N@H+](CCOC)C1CC1 ZINC000043969874 175130881 /nfs/dbraw/zinc/13/08/81/175130881.db2.gz WPHTWDNBTDKELU-PBHICJAKSA-N 2 2 276.424 2.837 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@@H](C)[N@@H+](CCOC)C1CC1 ZINC000043969874 175130882 /nfs/dbraw/zinc/13/08/82/175130882.db2.gz WPHTWDNBTDKELU-PBHICJAKSA-N 2 2 276.424 2.837 10 0 CFAELP CC[NH2+][C@@H](C[N@H+](CC)[C@@H](C)COC)c1cccc(OC)c1 ZINC000043981437 175134240 /nfs/dbraw/zinc/13/42/40/175134240.db2.gz BBPIZMHWPXXBTB-YOEHRIQHSA-N 2 2 294.439 2.703 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+](CC)[C@@H](C)COC)c1cccc(OC)c1 ZINC000043981437 175134242 /nfs/dbraw/zinc/13/42/42/175134242.db2.gz BBPIZMHWPXXBTB-YOEHRIQHSA-N 2 2 294.439 2.703 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@@H]1n1c[nH+]c2cc(C)c(C)cc21 ZINC000043996643 175136857 /nfs/dbraw/zinc/13/68/57/175136857.db2.gz IJVQASWTOJKRGP-YOEHRIQHSA-N 2 2 287.407 2.983 10 0 CFAELP C[NH2+][C@@H](Cn1cc[nH+]c1C(C)C)c1ccccc1OC ZINC000043997895 175136955 /nfs/dbraw/zinc/13/69/55/175136955.db2.gz WNRLTIFHDPFZRQ-AWEZNQCLSA-N 2 2 273.380 2.976 10 0 CFAELP CCOc1ccccc1[C@@H](C)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540168 175200639 /nfs/dbraw/zinc/20/06/39/175200639.db2.gz GEZGYELZEIRHLC-ZIAGYGMSSA-N 2 2 262.397 2.960 10 0 CFAELP CCOc1ccccc1[C@@H](C)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540168 175200640 /nfs/dbraw/zinc/20/06/40/175200640.db2.gz GEZGYELZEIRHLC-ZIAGYGMSSA-N 2 2 262.397 2.960 10 0 CFAELP COc1ccc([C@@H](C)[N@@H+]2CCCC[C@@H]2C[NH3+])c(OC)c1 ZINC000044540333 175201093 /nfs/dbraw/zinc/20/10/93/175201093.db2.gz NLHKIOBRWAVMHV-CHWSQXEVSA-N 2 2 278.396 2.578 10 0 CFAELP COc1ccc([C@@H](C)[N@H+]2CCCC[C@@H]2C[NH3+])c(OC)c1 ZINC000044540333 175201094 /nfs/dbraw/zinc/20/10/94/175201094.db2.gz NLHKIOBRWAVMHV-CHWSQXEVSA-N 2 2 278.396 2.578 10 0 CFAELP COc1ccccc1C1CC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000044686035 175230863 /nfs/dbraw/zinc/23/08/63/175230863.db2.gz KXSOWJKCVPXPQY-SLTAFYQDSA-N 2 2 286.419 2.768 10 0 CFAELP COc1ccccc1C1CC([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000044686035 175230864 /nfs/dbraw/zinc/23/08/64/175230864.db2.gz KXSOWJKCVPXPQY-SLTAFYQDSA-N 2 2 286.419 2.768 10 0 CFAELP C[NH2+][C@H]1CCCc2cc(OCCn3cc[nH+]c3)ccc21 ZINC000044745114 175241577 /nfs/dbraw/zinc/24/15/77/175241577.db2.gz WPVAWKRSEZYALY-INIZCTEOSA-N 2 2 271.364 2.559 10 0 CFAELP Oc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000044746989 175242632 /nfs/dbraw/zinc/24/26/32/175242632.db2.gz GQTAXBFPASIWPS-INIZCTEOSA-N 2 2 271.364 2.646 10 0 CFAELP C[N@H+](CC(C)(C)C)[C@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000045070823 175301343 /nfs/dbraw/zinc/30/13/43/175301343.db2.gz OQCKKKWNWJLOTR-CYBMUJFWSA-N 2 2 256.340 2.943 10 0 CFAELP C[N@@H+](CC(C)(C)C)[C@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000045070823 175301345 /nfs/dbraw/zinc/30/13/45/175301345.db2.gz OQCKKKWNWJLOTR-CYBMUJFWSA-N 2 2 256.340 2.943 10 0 CFAELP CCn1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](CC)CC2)c1C ZINC000045172049 175321824 /nfs/dbraw/zinc/32/18/24/175321824.db2.gz VFUUPEOGHLIUEM-GFCCVEGCSA-N 2 2 278.444 2.655 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@@H+]1CCC[C@@H]1C)[NH2+]C1CC1 ZINC000045367843 175363061 /nfs/dbraw/zinc/36/30/61/175363061.db2.gz GPCXCIDKLMNIME-YOEHRIQHSA-N 2 2 296.455 2.715 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@H+]1CCC[C@@H]1C)[NH2+]C1CC1 ZINC000045367843 175363062 /nfs/dbraw/zinc/36/30/62/175363062.db2.gz GPCXCIDKLMNIME-YOEHRIQHSA-N 2 2 296.455 2.715 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@@H+]1CCC[C@@H]1C)[NH2+]C(C)C ZINC000045367957 175363295 /nfs/dbraw/zinc/36/32/95/175363295.db2.gz ASXQWSCVBDBGEQ-GOEBONIOSA-N 2 2 284.444 2.571 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@H+]1CCC[C@@H]1C)[NH2+]C(C)C ZINC000045367957 175363297 /nfs/dbraw/zinc/36/32/97/175363297.db2.gz ASXQWSCVBDBGEQ-GOEBONIOSA-N 2 2 284.444 2.571 10 0 CFAELP CCCC[N@H+](CC)CCC[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000045370778 175364001 /nfs/dbraw/zinc/36/40/01/175364001.db2.gz RTQWPORVMJAEEY-MRXNPFEDSA-N 2 2 284.444 2.572 10 0 CFAELP CCCC[N@@H+](CC)CCC[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000045370778 175364003 /nfs/dbraw/zinc/36/40/03/175364003.db2.gz RTQWPORVMJAEEY-MRXNPFEDSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[NH+](CCC)CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000045378557 175367518 /nfs/dbraw/zinc/36/75/18/175367518.db2.gz UVGCJXKBPZFFGE-QGZVFWFLSA-N 2 2 298.471 2.962 10 0 CFAELP CC[NH2+][C@](C)(CCCC[NH+]1CCCCC1)C(=O)OCC ZINC000045378254 175367676 /nfs/dbraw/zinc/36/76/76/175367676.db2.gz PZSANCCBLSFJMR-MRXNPFEDSA-N 2 2 284.444 2.574 10 0 CFAELP CCC[NH2+][C@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379741 175369199 /nfs/dbraw/zinc/36/91/99/175369199.db2.gz ZJYPCLPJBOMTIC-YQQAZPJKSA-N 2 2 298.471 2.961 10 0 CFAELP CC[NH2+][C@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379714 175369414 /nfs/dbraw/zinc/36/94/14/175369414.db2.gz LAXVJLZBYCIKTQ-IJEWVQPXSA-N 2 2 284.444 2.571 10 0 CFAELP CC[NH2+][C@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379714 175369415 /nfs/dbraw/zinc/36/94/15/175369415.db2.gz LAXVJLZBYCIKTQ-IJEWVQPXSA-N 2 2 284.444 2.571 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@H+](C)CC(C)C)[NH2+]C1CC1 ZINC000045380922 175369971 /nfs/dbraw/zinc/36/99/71/175369971.db2.gz PORJWHPDDNOFCH-KRWDZBQOSA-N 2 2 298.471 2.818 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@@H+](C)CC(C)C)[NH2+]C1CC1 ZINC000045380922 175369972 /nfs/dbraw/zinc/36/99/72/175369972.db2.gz PORJWHPDDNOFCH-KRWDZBQOSA-N 2 2 298.471 2.818 10 0 CFAELP CC[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC)CC(C)C ZINC000045381743 175370480 /nfs/dbraw/zinc/37/04/80/175370480.db2.gz NYIDAJWAEWSNHA-QGZVFWFLSA-N 2 2 298.471 2.818 10 0 CFAELP CC[N@@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC)CC(C)C ZINC000045381743 175370482 /nfs/dbraw/zinc/37/04/82/175370482.db2.gz NYIDAJWAEWSNHA-QGZVFWFLSA-N 2 2 298.471 2.818 10 0 CFAELP COC(=O)[C@](C)(CCCC[N@H+](C)C1CCCC1)[NH2+]C1CC1 ZINC000045384751 175372440 /nfs/dbraw/zinc/37/24/40/175372440.db2.gz IRIXNQMTSJATHC-KRWDZBQOSA-N 2 2 296.455 2.715 10 0 CFAELP COC(=O)[C@](C)(CCCC[N@@H+](C)C1CCCC1)[NH2+]C1CC1 ZINC000045384751 175372442 /nfs/dbraw/zinc/37/24/42/175372442.db2.gz IRIXNQMTSJATHC-KRWDZBQOSA-N 2 2 296.455 2.715 10 0 CFAELP CCC[N@H+](CC)CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000045386973 175373366 /nfs/dbraw/zinc/37/33/66/175373366.db2.gz NUAWNJWMICXEHV-MRXNPFEDSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[N@@H+](CC)CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000045386973 175373368 /nfs/dbraw/zinc/37/33/68/175373368.db2.gz NUAWNJWMICXEHV-MRXNPFEDSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)[NH2+]C1CC1 ZINC000045392211 175375413 /nfs/dbraw/zinc/37/54/13/175375413.db2.gz KJOYITHKZJGDAB-YOEHRIQHSA-N 2 2 298.471 2.817 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)[NH2+]C1CC1 ZINC000045392211 175375414 /nfs/dbraw/zinc/37/54/14/175375414.db2.gz KJOYITHKZJGDAB-YOEHRIQHSA-N 2 2 298.471 2.817 10 0 CFAELP CC[N@H+](CCC[C@](C)([NH2+]C)C(=O)OC)c1cccc(C)c1 ZINC000045420053 175378599 /nfs/dbraw/zinc/37/85/99/175378599.db2.gz MDNBVNWVLYALGX-KRWDZBQOSA-N 2 2 292.423 2.753 10 0 CFAELP CC[N@@H+](CCC[C@](C)([NH2+]C)C(=O)OC)c1cccc(C)c1 ZINC000045420053 175378600 /nfs/dbraw/zinc/37/86/00/175378600.db2.gz MDNBVNWVLYALGX-KRWDZBQOSA-N 2 2 292.423 2.753 10 0 CFAELP C[N@H+](CCNc1[nH]c2ccccc2[nH+]1)C1CCCC1 ZINC000071377567 176143143 /nfs/dbraw/zinc/14/31/43/176143143.db2.gz RAQVTUPUGZIVIX-UHFFFAOYSA-N 2 2 258.369 2.849 10 0 CFAELP C[N@@H+](CCNc1[nH]c2ccccc2[nH+]1)C1CCCC1 ZINC000071377567 176143145 /nfs/dbraw/zinc/14/31/45/176143145.db2.gz RAQVTUPUGZIVIX-UHFFFAOYSA-N 2 2 258.369 2.849 10 0 CFAELP CC(C)COc1ccc([C@@H]([C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000071572706 176199096 /nfs/dbraw/zinc/19/90/96/176199096.db2.gz BQTYFOPHWFBYTL-SWLSCSKDSA-N 2 2 250.386 2.671 10 0 CFAELP COc1ccc(CCc2[nH]c3cc(C[NH3+])ccc3[nH+]2)cc1 ZINC000071631773 176236661 /nfs/dbraw/zinc/23/66/61/176236661.db2.gz HFJLITZPPVPNIN-UHFFFAOYSA-N 2 2 281.359 2.815 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000313325076 270290614 /nfs/dbraw/zinc/29/06/14/270290614.db2.gz KJYQXKMVHYXAFY-LSDHHAIUSA-N 2 2 267.376 2.731 10 0 CFAELP c1cc2[nH+]ccc(N3CC[N@@H+]4CCC[C@@H]4C3)c2s1 ZINC000172757294 275066012 /nfs/dbraw/zinc/06/60/12/275066012.db2.gz NAJGCQGNXNMLFW-LLVKDONJSA-N 2 2 259.378 2.581 10 0 CFAELP c1cc2[nH+]ccc(N3CC[N@H+]4CCC[C@@H]4C3)c2s1 ZINC000172757294 275066014 /nfs/dbraw/zinc/06/60/14/275066014.db2.gz NAJGCQGNXNMLFW-LLVKDONJSA-N 2 2 259.378 2.581 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(OC)cc32)C1 ZINC000092836643 276167903 /nfs/dbraw/zinc/16/79/03/276167903.db2.gz XHMCPQZKKDIJAX-RHSMWYFYSA-N 2 2 274.408 2.756 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(OC)cc32)C1 ZINC000092836643 276167905 /nfs/dbraw/zinc/16/79/05/276167905.db2.gz XHMCPQZKKDIJAX-RHSMWYFYSA-N 2 2 274.408 2.756 10 0 CFAELP CCCC[C@H](COC)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248176026 276243372 /nfs/dbraw/zinc/24/33/72/276243372.db2.gz VOMBAEBIIUCPMX-KFWWJZLASA-N 2 2 256.434 2.510 10 0 CFAELP CCCC[C@H](COC)[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248176026 276243374 /nfs/dbraw/zinc/24/33/74/276243374.db2.gz VOMBAEBIIUCPMX-KFWWJZLASA-N 2 2 256.434 2.510 10 0 CFAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CCC=CO1 ZINC000194541264 278242289 /nfs/dbraw/zinc/24/22/89/278242289.db2.gz LSAVAAOUFQQRIU-RDJZCZTQSA-N 2 2 274.408 2.789 10 0 CFAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CCC=CO1 ZINC000194541264 278242291 /nfs/dbraw/zinc/24/22/91/278242291.db2.gz LSAVAAOUFQQRIU-RDJZCZTQSA-N 2 2 274.408 2.789 10 0 CFAELP CC1CC([NH2+]CCCc2[nH+]c3ccccc3n2C)C1 ZINC000184408384 280827009 /nfs/dbraw/zinc/82/70/09/280827009.db2.gz MVKLPJYWEWXKKX-UHFFFAOYSA-N 2 2 257.381 2.894 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3c(cccc3OC)C2)C1 ZINC000249124299 281049496 /nfs/dbraw/zinc/04/94/96/281049496.db2.gz XDMNQMKDSCDHHA-HOTGVXAUSA-N 2 2 288.435 2.626 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3c(cccc3OC)C2)C1 ZINC000249124299 281049497 /nfs/dbraw/zinc/04/94/97/281049497.db2.gz XDMNQMKDSCDHHA-HOTGVXAUSA-N 2 2 288.435 2.626 10 0 CFAELP [NH3+]C1CCC([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000094074707 303361745 /nfs/dbraw/zinc/36/17/45/303361745.db2.gz WSVYEUWRLZAOIM-DAWZGUTISA-N 3 2 287.451 2.683 10 0 CFAELP CC(C)n1cc[nH+]c1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000573614727 322662684 /nfs/dbraw/zinc/66/26/84/322662684.db2.gz OHISITPPSSPSAR-CABCVRRESA-N 2 2 276.428 2.571 10 0 CFAELP CCC1CCC(C[NH3+])([N@H+](CC)Cc2cnn(C)c2)CC1 ZINC000050539263 519850712 /nfs/dbraw/zinc/85/07/12/519850712.db2.gz MATQOEYJXCWILF-UHFFFAOYSA-N 2 2 278.444 2.540 10 0 CFAELP CCC1CCC(C[NH3+])([N@@H+](CC)Cc2cnn(C)c2)CC1 ZINC000050539263 519850715 /nfs/dbraw/zinc/85/07/15/519850715.db2.gz MATQOEYJXCWILF-UHFFFAOYSA-N 2 2 278.444 2.540 10 0 CFAELP CCCO[C@H]1CCC[N@@H+]([C@@H](CC)C[NH2+]C(C)C)C1 ZINC000052371506 520286844 /nfs/dbraw/zinc/28/68/44/520286844.db2.gz VYICJRPBZGAIOP-GJZGRUSLSA-N 2 2 256.434 2.654 10 0 CFAELP CCCO[C@H]1CCC[N@H+]([C@@H](CC)C[NH2+]C(C)C)C1 ZINC000052371506 520286855 /nfs/dbraw/zinc/28/68/55/520286855.db2.gz VYICJRPBZGAIOP-GJZGRUSLSA-N 2 2 256.434 2.654 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000069429928 521309030 /nfs/dbraw/zinc/30/90/30/521309030.db2.gz SBCXSEPFFNFUSW-LBPRGKRZSA-N 2 2 264.369 2.536 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000069429928 521309037 /nfs/dbraw/zinc/30/90/37/521309037.db2.gz SBCXSEPFFNFUSW-LBPRGKRZSA-N 2 2 264.369 2.536 10 0 CFAELP CC(C)[NH2+]C[C@H](C)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418202 519724312 /nfs/dbraw/zinc/72/43/12/519724312.db2.gz WDNUSLONEDHNDD-HNNXBMFYSA-N 2 2 293.430 2.582 10 0 CFAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CCCOCC(F)(F)F ZINC000049555561 519775666 /nfs/dbraw/zinc/77/56/66/519775666.db2.gz KKCULGAJFOPTGL-LBPRGKRZSA-N 2 2 284.366 2.521 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000049198941 519794017 /nfs/dbraw/zinc/79/40/17/519794017.db2.gz SCEBVLIDAMJJOS-XJKSGUPXSA-N 2 2 276.424 2.858 10 0 CFAELP CC(C)[C@H](C[NH2+]C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417259 519815856 /nfs/dbraw/zinc/81/58/56/519815856.db2.gz JETTWJLWTYUIJH-SFHVURJKSA-N 2 2 287.451 2.585 10 0 CFAELP CC(C)[C@H](C[NH2+]C1CC1)[N@H+](C)Cc1cccs1 ZINC000052456026 519815888 /nfs/dbraw/zinc/81/58/88/519815888.db2.gz FPTCTRANPYXLBW-AWEZNQCLSA-N 2 2 252.427 2.957 10 0 CFAELP CC(C)[C@H](C[NH2+]C1CC1)[N@@H+](C)Cc1cccs1 ZINC000052456026 519815889 /nfs/dbraw/zinc/81/58/89/519815889.db2.gz FPTCTRANPYXLBW-AWEZNQCLSA-N 2 2 252.427 2.957 10 0 CFAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccncc1 ZINC000054601848 519910234 /nfs/dbraw/zinc/91/02/34/519910234.db2.gz OUHHGRHMNXRBEN-MQVJKMGUSA-N 2 2 259.397 2.577 10 0 CFAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccncc1 ZINC000054601848 519910237 /nfs/dbraw/zinc/91/02/37/519910237.db2.gz OUHHGRHMNXRBEN-MQVJKMGUSA-N 2 2 259.397 2.577 10 0 CFAELP CC[NH2+]CC[C@H](C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052419026 519927514 /nfs/dbraw/zinc/92/75/14/519927514.db2.gz SKICUOZSEXUAOP-AWEZNQCLSA-N 2 2 295.858 2.850 10 0 CFAELP CCC[NH2+]C[C@H](C)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374692 519931683 /nfs/dbraw/zinc/93/16/83/519931683.db2.gz VTKHDDOKBANVQX-HNNXBMFYSA-N 2 2 293.430 2.583 10 0 CFAELP CCC[NH2+]Cc1c(-n2c[nH+]c(C)c2C)nc2sccn12 ZINC000051927451 519942760 /nfs/dbraw/zinc/94/27/60/519942760.db2.gz DPLISQLXGURPQD-UHFFFAOYSA-N 2 2 289.408 2.698 10 0 CFAELP CC[NH2+]C[C@@H](C)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052418995 519943056 /nfs/dbraw/zinc/94/30/56/519943056.db2.gz MEWDBXOMDPANRG-CQSZACIVSA-N 2 2 295.858 2.708 10 0 CFAELP CCC[NH2+][C@H](CC[C@@H]1CCCCO1)Cc1[nH]cc[nH+]1 ZINC000069392527 520081396 /nfs/dbraw/zinc/08/13/96/520081396.db2.gz AQFDNWPKBSQDJV-KGLIPLIRSA-N 2 2 265.401 2.670 10 0 CFAELP CCCOc1cccc([C@H](C[NH3+])[N@@H+]2CCC[C@@H]2C)c1 ZINC000052921061 520468112 /nfs/dbraw/zinc/46/81/12/520468112.db2.gz MAYDLPHGMHFBHG-BBRMVZONSA-N 2 2 262.397 2.960 10 0 CFAELP CCCOc1cccc([C@H](C[NH3+])[N@H+]2CCC[C@@H]2C)c1 ZINC000052921061 520468120 /nfs/dbraw/zinc/46/81/20/520468120.db2.gz MAYDLPHGMHFBHG-BBRMVZONSA-N 2 2 262.397 2.960 10 0 CFAELP CC[N@H+](CC1CC1)[C@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000069237003 520967086 /nfs/dbraw/zinc/96/70/86/520967086.db2.gz VEKHANRCKTXOAQ-WBMJQRKESA-N 2 2 262.397 2.815 10 0 CFAELP CC[N@@H+](CC1CC1)[C@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000069237003 520967093 /nfs/dbraw/zinc/96/70/93/520967093.db2.gz VEKHANRCKTXOAQ-WBMJQRKESA-N 2 2 262.397 2.815 10 0 CFAELP CCCC[C@](CC)(C[NH3+])[N@H+](C)C[C@@H]1CCCOC1 ZINC000069381245 521253836 /nfs/dbraw/zinc/25/38/36/521253836.db2.gz INMONINUZUMHNI-LSDHHAIUSA-N 2 2 256.434 2.643 10 0 CFAELP CCCC[C@](CC)(C[NH3+])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000069381245 521253840 /nfs/dbraw/zinc/25/38/40/521253840.db2.gz INMONINUZUMHNI-LSDHHAIUSA-N 2 2 256.434 2.643 10 0 CFAELP CC[N@H+](C[C@H]1CCCO1)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050578905 521268964 /nfs/dbraw/zinc/26/89/64/521268964.db2.gz PKQSYKXVQOZYAN-ZBFHGGJFSA-N 2 2 280.387 2.635 10 0 CFAELP CC[N@@H+](C[C@H]1CCCO1)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050578905 521268970 /nfs/dbraw/zinc/26/89/70/521268970.db2.gz PKQSYKXVQOZYAN-ZBFHGGJFSA-N 2 2 280.387 2.635 10 0 CFAELP CC[N@H+](Cc1ccncc1)[C@H](C[NH2+]C1CC1)C(C)C ZINC000052514816 521424033 /nfs/dbraw/zinc/42/40/33/521424033.db2.gz AFUQJIUKIBOGHO-MRXNPFEDSA-N 2 2 261.413 2.680 10 0 CFAELP CC[N@@H+](Cc1ccncc1)[C@H](C[NH2+]C1CC1)C(C)C ZINC000052514816 521424036 /nfs/dbraw/zinc/42/40/36/521424036.db2.gz AFUQJIUKIBOGHO-MRXNPFEDSA-N 2 2 261.413 2.680 10 0 CFAELP CCOC1CC[NH+](CC[NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC000053389313 521655948 /nfs/dbraw/zinc/65/59/48/521655948.db2.gz YZXYIUSMYHPCPU-LSDHHAIUSA-N 2 2 268.445 2.656 10 0 CFAELP C[NH2+]C[C@@H](C(C)C)[N@H+](Cc1ccsc1)C1CC1 ZINC000052541885 522024476 /nfs/dbraw/zinc/02/44/76/522024476.db2.gz SXTLTSDFCHZWCO-AWEZNQCLSA-N 2 2 252.427 2.957 10 0 CFAELP C[NH2+]C[C@@H](C(C)C)[N@@H+](Cc1ccsc1)C1CC1 ZINC000052541885 522024479 /nfs/dbraw/zinc/02/44/79/522024479.db2.gz SXTLTSDFCHZWCO-AWEZNQCLSA-N 2 2 252.427 2.957 10 0 CFAELP C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC000061698308 522446203 /nfs/dbraw/zinc/44/62/03/522446203.db2.gz AZJWVMALOYXOGD-SECBINFHSA-N 2 2 280.169 2.915 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[NH+]1CCC(C)(C)CC1 ZINC000061818530 522649229 /nfs/dbraw/zinc/64/92/29/522649229.db2.gz LSEMCXFDSDACBP-HIFRSBDPSA-N 2 2 261.413 2.982 10 0 CFAELP C[N@H+](Cc1cc(-c2cccs2)on1)[C@@H]1CCC[NH2+]CC1 ZINC000231670760 523163322 /nfs/dbraw/zinc/16/33/22/523163322.db2.gz IWPKDIZHFMSYMQ-CYBMUJFWSA-N 2 2 291.420 2.977 10 0 CFAELP C[N@@H+](Cc1cc(-c2cccs2)on1)[C@@H]1CCC[NH2+]CC1 ZINC000231670760 523163330 /nfs/dbraw/zinc/16/33/30/523163330.db2.gz IWPKDIZHFMSYMQ-CYBMUJFWSA-N 2 2 291.420 2.977 10 0 CFAELP CC[C@H]1CO[C@@H](C)C[N@@H+]1[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052570744 523346843 /nfs/dbraw/zinc/34/68/43/523346843.db2.gz PUOPJZCPCXRSAO-JYJNAYRXSA-N 2 2 270.461 2.756 10 0 CFAELP CC[C@H]1CO[C@@H](C)C[N@H+]1[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052570744 523346857 /nfs/dbraw/zinc/34/68/57/523346857.db2.gz PUOPJZCPCXRSAO-JYJNAYRXSA-N 2 2 270.461 2.756 10 0 CFAELP COc1ccc(C)cc1C[N@H+](C)C1(C[NH3+])CCCC1 ZINC000050702848 523808954 /nfs/dbraw/zinc/80/89/54/523808954.db2.gz BFJIISFVPJEZNK-UHFFFAOYSA-N 2 2 262.397 2.707 10 0 CFAELP COc1ccc(C)cc1C[N@@H+](C)C1(C[NH3+])CCCC1 ZINC000050702848 523808960 /nfs/dbraw/zinc/80/89/60/523808960.db2.gz BFJIISFVPJEZNK-UHFFFAOYSA-N 2 2 262.397 2.707 10 0 CFAELP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[NH+]2CCCC2)cc1 ZINC000049150225 524155215 /nfs/dbraw/zinc/15/52/15/524155215.db2.gz JXBBQRNCPDYALA-LSDHHAIUSA-N 2 2 276.424 2.700 10 0 CFAELP C[C@H]1CC[NH+](Cc2ccc(F)cc2F)CC[C@H](C)[NH2+]1 ZINC000051017766 524293485 /nfs/dbraw/zinc/29/34/85/524293485.db2.gz WLMNGZSMKZWTDQ-RYUDHWBXSA-N 2 2 268.351 2.927 10 0 CFAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@H]1CCOc2ccccc21 ZINC000049149750 524318917 /nfs/dbraw/zinc/31/89/17/524318917.db2.gz KZCIOZOMTYBPAP-HIFRSBDPSA-N 2 2 260.381 2.584 10 0 CFAELP C[C@H](C[NH+]1CCCCC1)n1c(N)[nH+]c2c1cccc2F ZINC000049502333 524335984 /nfs/dbraw/zinc/33/59/84/524335984.db2.gz UBVKYTGBHASAFI-LLVKDONJSA-N 2 2 276.359 2.805 10 0 CFAELP Cc1ccc(C[N@@H+](C)[C@]2(C[NH3+])CCCSC2)cc1 ZINC000061589969 524401996 /nfs/dbraw/zinc/40/19/96/524401996.db2.gz CDDPKJJEMYRWFQ-HNNXBMFYSA-N 2 2 264.438 2.651 10 0 CFAELP Cc1ccc(C[N@H+](C)[C@]2(C[NH3+])CCCSC2)cc1 ZINC000061589969 524402004 /nfs/dbraw/zinc/40/20/04/524402004.db2.gz CDDPKJJEMYRWFQ-HNNXBMFYSA-N 2 2 264.438 2.651 10 0 CFAELP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccccc1OC(F)F ZINC000049553435 524477191 /nfs/dbraw/zinc/47/71/91/524477191.db2.gz YEQNMQCOFYJVCX-NSHDSACASA-N 2 2 272.339 2.718 10 0 CFAELP C[C@H]1COCC[N@@H+]1Cc1c(C[NH3+])sc2cccc(F)c21 ZINC000052475868 524720726 /nfs/dbraw/zinc/72/07/26/524720726.db2.gz CTEVWXWKBIQXJP-JTQLQIEISA-N 2 2 294.395 2.720 10 0 CFAELP C[C@H]1COCC[N@H+]1Cc1c(C[NH3+])sc2cccc(F)c21 ZINC000052475868 524720737 /nfs/dbraw/zinc/72/07/37/524720737.db2.gz CTEVWXWKBIQXJP-JTQLQIEISA-N 2 2 294.395 2.720 10 0 CFAELP C[C@@H](Cc1ccco1)[NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000049147244 524928494 /nfs/dbraw/zinc/92/84/94/524928494.db2.gz USQMLNUIEXQNOX-BBRMVZONSA-N 2 2 270.376 2.515 10 0 CFAELP Cc1ccc(OCCCn2cc[nH+]c2)c([C@H](C)[NH3+])c1 ZINC000049327333 525416067 /nfs/dbraw/zinc/41/60/67/525416067.db2.gz KIZOPDXHNVYDII-ZDUSSCGKSA-N 2 2 259.353 2.680 10 0 CFAELP Cc1ccccc1[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070142773 525416698 /nfs/dbraw/zinc/41/66/98/525416698.db2.gz CXSQGNXQTONADV-ZDUSSCGKSA-N 2 2 272.396 2.645 10 0 CFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000192180641 526075580 /nfs/dbraw/zinc/07/55/80/526075580.db2.gz WGWFUVMDNOHLHX-WMLDXEAASA-N 2 2 285.391 2.838 10 0 CFAELP Cc1oc(C[N@H+]2CCOC[C@H]2C)cc1C[NH2+]C(C)(C)C ZINC000052475816 526772096 /nfs/dbraw/zinc/77/20/96/526772096.db2.gz LTCVHMISZHQMGP-GFCCVEGCSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1oc(C[N@@H+]2CCOC[C@H]2C)cc1C[NH2+]C(C)(C)C ZINC000052475816 526772103 /nfs/dbraw/zinc/77/21/03/526772103.db2.gz LTCVHMISZHQMGP-GFCCVEGCSA-N 2 2 280.412 2.697 10 0 CFAELP CO[C@@H](c1ccc(-c2cc[nH+]c(N(C)C)c2)cc1)[C@@H](C)[NH3+] ZINC000904849223 621657935 /nfs/dbraw/zinc/65/79/35/621657935.db2.gz JCMFRQAHGXRHQN-SJKOYZFVSA-N 2 2 285.391 2.849 10 0 CFAELP [NH3+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000096959621 185142685 /nfs/dbraw/zinc/14/26/85/185142685.db2.gz GXGGISPPKZQAAN-IRXDYDNUSA-N 2 2 252.361 2.961 10 0 CFAELP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000096959621 185142686 /nfs/dbraw/zinc/14/26/86/185142686.db2.gz GXGGISPPKZQAAN-IRXDYDNUSA-N 2 2 252.361 2.961 10 0 CFAELP CN(c1[nH+]cccc1N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039156115 346341342 /nfs/dbraw/zinc/34/13/42/346341342.db2.gz OQTLSJXBALHXKK-UHFFFAOYSA-N 2 2 296.418 2.765 10 0 CFAELP Cc1cc2ccccc2[nH+]c1NC[C@@H]1CCC[NH2+]C1 ZINC000063106330 346696041 /nfs/dbraw/zinc/69/60/41/346696041.db2.gz KKKRKFOMORTGAR-CYBMUJFWSA-N 2 2 255.365 2.955 10 0 CFAELP CCSCC[C@@H](C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000132569239 347885420 /nfs/dbraw/zinc/88/54/20/347885420.db2.gz KYENRBNCRQVVQH-AWEZNQCLSA-N 2 2 252.427 2.589 10 0 CFAELP CCSCC[C@@H](C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000132569239 347885422 /nfs/dbraw/zinc/88/54/22/347885422.db2.gz KYENRBNCRQVVQH-AWEZNQCLSA-N 2 2 252.427 2.589 10 0 CFAELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000134438754 347898167 /nfs/dbraw/zinc/89/81/67/347898167.db2.gz LZSAXBIJJJMADK-KRWDZBQOSA-N 2 2 290.451 2.794 10 0 CFAELP CCC[NH2+][C@@]1(c2nc(C)cs2)CCC[N@H+](C)CC1 ZINC000086833689 179349471 /nfs/dbraw/zinc/34/94/71/179349471.db2.gz XNSJKYXRCNYSBA-AWEZNQCLSA-N 2 2 267.442 2.762 10 0 CFAELP CCC[NH2+][C@@]1(c2nc(C)cs2)CCC[N@@H+](C)CC1 ZINC000086833689 179349477 /nfs/dbraw/zinc/34/94/77/179349477.db2.gz XNSJKYXRCNYSBA-AWEZNQCLSA-N 2 2 267.442 2.762 10 0 CFAELP C[N@@H+]1CCC[C@H](Nc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000086817849 179345863 /nfs/dbraw/zinc/34/58/63/179345863.db2.gz RZXZXYXVCUIFCR-AWEZNQCLSA-N 2 2 274.412 2.578 10 0 CFAELP C[N@H+]1CCC[C@H](Nc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000086817849 179345865 /nfs/dbraw/zinc/34/58/65/179345865.db2.gz RZXZXYXVCUIFCR-AWEZNQCLSA-N 2 2 274.412 2.578 10 0 CFAELP C[N@@H+]1CCC[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000086817850 179346020 /nfs/dbraw/zinc/34/60/20/179346020.db2.gz RZXZXYXVCUIFCR-CQSZACIVSA-N 2 2 274.412 2.578 10 0 CFAELP C[N@H+]1CCC[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000086817850 179346022 /nfs/dbraw/zinc/34/60/22/179346022.db2.gz RZXZXYXVCUIFCR-CQSZACIVSA-N 2 2 274.412 2.578 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229095285 348199284 /nfs/dbraw/zinc/19/92/84/348199284.db2.gz VTXJQIBDOVUDHW-DOMZBBRYSA-N 2 2 269.392 2.964 10 0 CFAELP C[C@@H]1[C@H]([NH2+]C[C@@H](O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000309731534 348407331 /nfs/dbraw/zinc/40/73/31/348407331.db2.gz PILNQKRHLNLNRZ-DJIMGWMZSA-N 2 2 290.451 2.646 10 0 CFAELP C[C@@H]1[C@H]([NH2+]C[C@@H](O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000309731534 348407332 /nfs/dbraw/zinc/40/73/32/348407332.db2.gz PILNQKRHLNLNRZ-DJIMGWMZSA-N 2 2 290.451 2.646 10 0 CFAELP C[NH+](C)C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000307199124 348397255 /nfs/dbraw/zinc/39/72/55/348397255.db2.gz WTUYKFYFIVLVLN-IBGZPJMESA-N 2 2 298.430 2.611 10 0 CFAELP [NH3+]C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000584620998 348692793 /nfs/dbraw/zinc/69/27/93/348692793.db2.gz BQCPLFWSXRVBGH-DGCLKSJQSA-N 2 2 290.304 2.580 10 0 CFAELP [NH3+]C[C@@H](Cc1ccc(F)cc1)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000584620998 348692796 /nfs/dbraw/zinc/69/27/96/348692796.db2.gz BQCPLFWSXRVBGH-DGCLKSJQSA-N 2 2 290.304 2.580 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000105922548 186090781 /nfs/dbraw/zinc/09/07/81/186090781.db2.gz SUHIZSDQOQSYGT-MRXNPFEDSA-N 2 2 284.407 2.720 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCc2ccncc2)C1 ZINC000105922548 186090782 /nfs/dbraw/zinc/09/07/82/186090782.db2.gz SUHIZSDQOQSYGT-MRXNPFEDSA-N 2 2 284.407 2.720 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000105897074 186086200 /nfs/dbraw/zinc/08/62/00/186086200.db2.gz FNJADPBYIYYJOC-IRXDYDNUSA-N 2 2 299.418 2.816 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000105897074 186086201 /nfs/dbraw/zinc/08/62/01/186086201.db2.gz FNJADPBYIYYJOC-IRXDYDNUSA-N 2 2 299.418 2.816 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616629708 352391985 /nfs/dbraw/zinc/39/19/85/352391985.db2.gz PMTUTEOYNSVQNC-MRXNPFEDSA-N 2 2 269.392 2.763 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616629708 352391988 /nfs/dbraw/zinc/39/19/88/352391988.db2.gz PMTUTEOYNSVQNC-MRXNPFEDSA-N 2 2 269.392 2.763 10 0 CFAELP COc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000136080055 539878905 /nfs/dbraw/zinc/87/89/05/539878905.db2.gz LHOKFORHNDMXMJ-HNNXBMFYSA-N 2 2 271.364 2.556 10 0 CFAELP COc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000136080055 539878907 /nfs/dbraw/zinc/87/89/07/539878907.db2.gz LHOKFORHNDMXMJ-HNNXBMFYSA-N 2 2 271.364 2.556 10 0 CFAELP CCC[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000624557789 353906004 /nfs/dbraw/zinc/90/60/04/353906004.db2.gz WISLCHDEZCXITC-NVXWUHKLSA-N 2 2 278.440 2.600 10 0 CFAELP CCC[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000624557789 353906007 /nfs/dbraw/zinc/90/60/07/353906007.db2.gz WISLCHDEZCXITC-NVXWUHKLSA-N 2 2 278.440 2.600 10 0 CFAELP CCC[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000624557789 353906009 /nfs/dbraw/zinc/90/60/09/353906009.db2.gz WISLCHDEZCXITC-NVXWUHKLSA-N 2 2 278.440 2.600 10 0 CFAELP CCC[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000624557789 353906011 /nfs/dbraw/zinc/90/60/11/353906011.db2.gz WISLCHDEZCXITC-NVXWUHKLSA-N 2 2 278.440 2.600 10 0 CFAELP C[C@H]1C[N@H+](Cc2cccc(Cl)c2F)C[C@@H]1C[NH3+] ZINC000631838910 355601793 /nfs/dbraw/zinc/60/17/93/355601793.db2.gz WVHQXOVCAOEVHM-ONGXEEELSA-N 2 2 256.752 2.506 10 0 CFAELP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2F)C[C@@H]1C[NH3+] ZINC000631838910 355601796 /nfs/dbraw/zinc/60/17/96/355601796.db2.gz WVHQXOVCAOEVHM-ONGXEEELSA-N 2 2 256.752 2.506 10 0 CFAELP CCc1nnc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000180648632 189267851 /nfs/dbraw/zinc/26/78/51/189267851.db2.gz QZIWBHDKVSZNCF-LBPRGKRZSA-N 2 2 297.362 2.669 10 0 CFAELP CC(C)COc1ccccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000041166562 372825188 /nfs/dbraw/zinc/82/51/88/372825188.db2.gz IEBBHALJJKNZNB-UHFFFAOYSA-N 2 2 262.397 2.517 10 0 CFAELP CC(C)COc1ccccc1C[N@H+]1CCC[NH2+]CC1 ZINC000041166562 372825189 /nfs/dbraw/zinc/82/51/89/372825189.db2.gz IEBBHALJJKNZNB-UHFFFAOYSA-N 2 2 262.397 2.517 10 0 CFAELP CCOc1cc([C@H]([NH3+])C[NH3+])ccc1OCc1ccccc1 ZINC000044470208 373005046 /nfs/dbraw/zinc/00/50/46/373005046.db2.gz KCWMLGDEGXQRDD-OAHLLOKOSA-N 2 2 286.375 2.623 10 0 CFAELP [NH3+]CCCc1[nH+]c2ccccc2n1Cc1ccco1 ZINC000053994570 373493201 /nfs/dbraw/zinc/49/32/01/373493201.db2.gz SLGYZLIGQBYIRO-UHFFFAOYSA-N 2 2 255.321 2.569 10 0 CFAELP CCc1c(C)[nH+]c(C(C)C)nc1NC[C@H]1CCC[NH2+]C1 ZINC000070456378 374181031 /nfs/dbraw/zinc/18/10/31/374181031.db2.gz OUHPIDJOSGJRLQ-ZDUSSCGKSA-N 2 2 276.428 2.882 10 0 CFAELP Cc1nc(NC[C@H]2CCC[NH2+]C2)cc(-c2ccccc2)[nH+]1 ZINC000070456380 374181935 /nfs/dbraw/zinc/18/19/35/374181935.db2.gz WJLIRMNUSGQFDE-AWEZNQCLSA-N 2 2 282.391 2.864 10 0 CFAELP COc1ccc(-c2nc(NC3CC[NH2+]CC3)cc(C)[nH+]2)cc1 ZINC000070451719 374177450 /nfs/dbraw/zinc/17/74/50/374177450.db2.gz KJWWZDGAAGFGRZ-UHFFFAOYSA-N 2 2 298.390 2.625 10 0 CFAELP Cc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccc(Cl)cc2)[nH+]1 ZINC000070455956 374179525 /nfs/dbraw/zinc/17/95/25/374179525.db2.gz SANZKFLLVBDNFC-CYBMUJFWSA-N 2 2 288.782 2.643 10 0 CFAELP OCC[C@@H]([NH2+]C1CC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095078791 375408701 /nfs/dbraw/zinc/40/87/01/375408701.db2.gz YSMUWALXYCLLEY-QZTJIDSGSA-N 2 2 288.435 2.544 10 0 CFAELP OCC[C@@H]([NH2+]C1CC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095078791 375408706 /nfs/dbraw/zinc/40/87/06/375408706.db2.gz YSMUWALXYCLLEY-QZTJIDSGSA-N 2 2 288.435 2.544 10 0 CFAELP Cc1cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc[nH+]1 ZINC000119141462 376361391 /nfs/dbraw/zinc/36/13/91/376361391.db2.gz VKOWTOOQYGKEJF-INIZCTEOSA-N 2 2 298.390 2.814 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000119285057 376385427 /nfs/dbraw/zinc/38/54/27/376385427.db2.gz KYUIQRQSEQSKIN-OAHLLOKOSA-N 2 2 277.412 2.509 10 0 CFAELP Cc1c[nH+]ccc1NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000120285846 376586067 /nfs/dbraw/zinc/58/60/67/376586067.db2.gz ZZPLHLVEENPVIT-MRXNPFEDSA-N 2 2 298.390 2.814 10 0 CFAELP CC(C)CCOCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151101542 378293811 /nfs/dbraw/zinc/29/38/11/378293811.db2.gz AUJLPVILYIZVKF-MRXNPFEDSA-N 2 2 291.439 2.878 10 0 CFAELP CC(C)CCOCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151101542 378293815 /nfs/dbraw/zinc/29/38/15/378293815.db2.gz AUJLPVILYIZVKF-MRXNPFEDSA-N 2 2 291.439 2.878 10 0 CFAELP CC(C)[C@H](C)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000163042394 378952669 /nfs/dbraw/zinc/95/26/69/378952669.db2.gz AFQFJQAXRSEXLF-NSHDSACASA-N 2 2 282.351 2.667 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000171829036 379415269 /nfs/dbraw/zinc/41/52/69/379415269.db2.gz QWTFXZBWTLMDET-HNNXBMFYSA-N 2 2 277.412 2.509 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000171829036 379415273 /nfs/dbraw/zinc/41/52/73/379415273.db2.gz QWTFXZBWTLMDET-HNNXBMFYSA-N 2 2 277.412 2.509 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000335653020 379668802 /nfs/dbraw/zinc/66/88/02/379668802.db2.gz RDPXEDZUSTWXKW-OCCSQVGLSA-N 2 2 262.422 2.907 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000335653020 379668813 /nfs/dbraw/zinc/66/88/13/379668813.db2.gz RDPXEDZUSTWXKW-OCCSQVGLSA-N 2 2 262.422 2.907 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000335653021 379669186 /nfs/dbraw/zinc/66/91/86/379669186.db2.gz RDPXEDZUSTWXKW-TZMCWYRMSA-N 2 2 262.422 2.907 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000335653021 379669193 /nfs/dbraw/zinc/66/91/93/379669193.db2.gz RDPXEDZUSTWXKW-TZMCWYRMSA-N 2 2 262.422 2.907 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ncc(C)o2)C1 ZINC000173698604 379765779 /nfs/dbraw/zinc/76/57/79/379765779.db2.gz NFIXTGZAQFQTAH-CYBMUJFWSA-N 2 2 274.368 2.579 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ncc(C)o2)C1 ZINC000173698604 379765783 /nfs/dbraw/zinc/76/57/83/379765783.db2.gz NFIXTGZAQFQTAH-CYBMUJFWSA-N 2 2 274.368 2.579 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[Si](C)(C)C ZINC000178310412 380435412 /nfs/dbraw/zinc/43/54/12/380435412.db2.gz ZSJFORPJCXLHCL-CYBMUJFWSA-N 2 2 251.450 2.533 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[Si](C)(C)C ZINC000178310412 380435420 /nfs/dbraw/zinc/43/54/20/380435420.db2.gz ZSJFORPJCXLHCL-CYBMUJFWSA-N 2 2 251.450 2.533 10 0 CFAELP C[C@@H]([NH2+]Cc1ccsc1Br)[C@@H]1CC[NH2+]C1 ZINC000400730029 380864716 /nfs/dbraw/zinc/86/47/16/380864716.db2.gz QIAORUKOPBJMQE-RKDXNWHRSA-N 2 2 289.242 2.598 10 0 CFAELP C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400325937 380853705 /nfs/dbraw/zinc/85/37/05/380853705.db2.gz AILFZGHQMTVYAB-JLJPHGGASA-N 2 2 270.376 2.957 10 0 CFAELP CCC[C@H](CC)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000181935143 380940585 /nfs/dbraw/zinc/94/05/85/380940585.db2.gz HTSYLZRSWQJRAM-UONOGXRCSA-N 2 2 291.443 2.655 10 0 CFAELP C[C@@H]1[C@H]([NH2+]CCn2cc[nH+]c2)CCCN1Cc1ccccc1 ZINC000293248649 382048058 /nfs/dbraw/zinc/04/80/58/382048058.db2.gz BMXNKVWSABJGPV-SJLPKXTDSA-N 2 2 298.434 2.526 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2cccc(C)c2)C1 ZINC000389194018 382613411 /nfs/dbraw/zinc/61/34/11/382613411.db2.gz WLKOVTOMPNSQPH-RDJZCZTQSA-N 2 2 260.425 3.000 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2cccc(C)c2)C1 ZINC000389194018 382613414 /nfs/dbraw/zinc/61/34/14/382613414.db2.gz WLKOVTOMPNSQPH-RDJZCZTQSA-N 2 2 260.425 3.000 10 0 CFAELP C[C@H]([NH2+][C@H]1CCOc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000385919424 382581058 /nfs/dbraw/zinc/58/10/58/382581058.db2.gz AAAGAGKSIMEBNU-QEJZJMRPSA-N 2 2 260.381 2.630 10 0 CFAELP CC[NH+](CC)CCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000191504010 382701168 /nfs/dbraw/zinc/70/11/68/382701168.db2.gz UYASUCUWDGOTBR-MRXNPFEDSA-N 3 2 290.455 2.547 10 0 CFAELP CC[NH+](CC)CCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000191504010 382701169 /nfs/dbraw/zinc/70/11/69/382701169.db2.gz UYASUCUWDGOTBR-MRXNPFEDSA-N 3 2 290.455 2.547 10 0 CFAELP C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@H]1CCC[NH2+]C1 ZINC000220391738 382796338 /nfs/dbraw/zinc/79/63/38/382796338.db2.gz ZHRWLVWPIBPBFO-JTQLQIEISA-N 2 2 272.314 2.535 10 0 CFAELP C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@H]1CCC[NH2+]C1 ZINC000220391738 382796339 /nfs/dbraw/zinc/79/63/39/382796339.db2.gz ZHRWLVWPIBPBFO-JTQLQIEISA-N 2 2 272.314 2.535 10 0 CFAELP CC(C)c1nc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000231460982 382864756 /nfs/dbraw/zinc/86/47/56/382864756.db2.gz VNBCAZWLPVNBGP-CYBMUJFWSA-N 2 2 267.442 2.840 10 0 CFAELP CC(C)c1nc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000231460982 382864759 /nfs/dbraw/zinc/86/47/59/382864759.db2.gz VNBCAZWLPVNBGP-CYBMUJFWSA-N 2 2 267.442 2.840 10 0 CFAELP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235359077 382880004 /nfs/dbraw/zinc/88/00/04/382880004.db2.gz VRZGWWXARJKFOD-BREBYQMCSA-N 2 2 270.323 2.628 10 0 CFAELP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235359077 382880008 /nfs/dbraw/zinc/88/00/08/382880008.db2.gz VRZGWWXARJKFOD-BREBYQMCSA-N 2 2 270.323 2.628 10 0 CFAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000245937344 383051160 /nfs/dbraw/zinc/05/11/60/383051160.db2.gz UFLMPWKHVAWVAX-GRDNDAEWSA-N 2 2 276.424 2.558 10 0 CFAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000245937344 383051162 /nfs/dbraw/zinc/05/11/62/383051162.db2.gz UFLMPWKHVAWVAX-GRDNDAEWSA-N 2 2 276.424 2.558 10 0 CFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000248035729 383207922 /nfs/dbraw/zinc/20/79/22/383207922.db2.gz RNYHLVJAJPCAHU-KBRIMQKVSA-N 2 2 258.409 2.992 10 0 CFAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000248035729 383207927 /nfs/dbraw/zinc/20/79/27/383207927.db2.gz RNYHLVJAJPCAHU-KBRIMQKVSA-N 2 2 258.409 2.992 10 0 CFAELP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247136973 383147688 /nfs/dbraw/zinc/14/76/88/383147688.db2.gz QQXGQJOHLXCZJI-BPQIPLTHSA-N 2 2 290.451 2.562 10 0 CFAELP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247136973 383147690 /nfs/dbraw/zinc/14/76/90/383147690.db2.gz QQXGQJOHLXCZJI-BPQIPLTHSA-N 2 2 290.451 2.562 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000248445910 383245311 /nfs/dbraw/zinc/24/53/11/383245311.db2.gz MRKMDQKTUWOPIE-DYVFJYSZSA-N 2 2 289.423 2.780 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000248445910 383245316 /nfs/dbraw/zinc/24/53/16/383245316.db2.gz MRKMDQKTUWOPIE-DYVFJYSZSA-N 2 2 289.423 2.780 10 0 CFAELP c1ccc(NC[C@H]2CC[N@H+](C[C@H]3CCC=CO3)C2)[nH+]c1 ZINC000248995448 383315327 /nfs/dbraw/zinc/31/53/27/383315327.db2.gz OTFJFODSKQDXRT-HUUCEWRRSA-N 2 2 273.380 2.508 10 0 CFAELP c1ccc(NC[C@H]2CC[N@@H+](C[C@H]3CCC=CO3)C2)[nH+]c1 ZINC000248995448 383315330 /nfs/dbraw/zinc/31/53/30/383315330.db2.gz OTFJFODSKQDXRT-HUUCEWRRSA-N 2 2 273.380 2.508 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000250197614 383372970 /nfs/dbraw/zinc/37/29/70/383372970.db2.gz BBCBBWNYQXYRIJ-HOTGVXAUSA-N 2 2 278.827 2.881 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000250197614 383372977 /nfs/dbraw/zinc/37/29/77/383372977.db2.gz BBCBBWNYQXYRIJ-HOTGVXAUSA-N 2 2 278.827 2.881 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000250315520 383374871 /nfs/dbraw/zinc/37/48/71/383374871.db2.gz MJQUFCVOBOOSOC-DYVFJYSZSA-N 2 2 289.423 2.780 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000250315520 383374875 /nfs/dbraw/zinc/37/48/75/383374875.db2.gz MJQUFCVOBOOSOC-DYVFJYSZSA-N 2 2 289.423 2.780 10 0 CFAELP C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)s2)C[C@H]1[NH3+] ZINC000261541961 383508576 /nfs/dbraw/zinc/50/85/76/383508576.db2.gz NCASVCRRBNDRBY-CMPLNLGQSA-N 2 2 252.427 2.825 10 0 CFAELP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)s2)C[C@H]1[NH3+] ZINC000261541961 383508580 /nfs/dbraw/zinc/50/85/80/383508580.db2.gz NCASVCRRBNDRBY-CMPLNLGQSA-N 2 2 252.427 2.825 10 0 CFAELP CCc1oc2ccccc2c1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261936382 383582637 /nfs/dbraw/zinc/58/26/37/383582637.db2.gz DGURJKCFYMDNSK-SMDDNHRTSA-N 2 2 258.365 2.774 10 0 CFAELP CCc1oc2ccccc2c1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261936382 383582641 /nfs/dbraw/zinc/58/26/41/383582641.db2.gz DGURJKCFYMDNSK-SMDDNHRTSA-N 2 2 258.365 2.774 10 0 CFAELP C[C@@H]1C[N@H+](Cc2ccccc2OC2CCCC2)C[C@@H]1[NH3+] ZINC000261982910 383590133 /nfs/dbraw/zinc/59/01/33/383590133.db2.gz JKYDSULEYHNQQX-CJNGLKHVSA-N 2 2 274.408 2.787 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)C[C@@H]1[NH3+] ZINC000261982910 383590135 /nfs/dbraw/zinc/59/01/35/383590135.db2.gz JKYDSULEYHNQQX-CJNGLKHVSA-N 2 2 274.408 2.787 10 0 CFAELP CC(C)(C)c1cnc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000262038319 383598470 /nfs/dbraw/zinc/59/84/70/383598470.db2.gz XZGMJJRFVKQHBD-SDDRHHMPSA-N 2 2 279.453 2.610 10 0 CFAELP CC(C)(C)c1cnc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000262038319 383598473 /nfs/dbraw/zinc/59/84/73/383598473.db2.gz XZGMJJRFVKQHBD-SDDRHHMPSA-N 2 2 279.453 2.610 10 0 CFAELP C[NH+](C)C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000070346258 412970848 /nfs/dbraw/zinc/97/08/48/412970848.db2.gz XRKHHKRVMKSEJX-CVEARBPZSA-N 2 2 276.424 2.837 10 0 CFAELP CC(C)n1cc[nH+]c1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000573614730 383962722 /nfs/dbraw/zinc/96/27/22/383962722.db2.gz OHISITPPSSPSAR-LSDHHAIUSA-N 2 2 276.428 2.571 10 0 CFAELP Cc1cc(N2CC[C@H](CNc3cccc[nH+]3)C2)cc[nH+]1 ZINC000274391364 385785373 /nfs/dbraw/zinc/78/53/73/385785373.db2.gz VQEFAZDPRUWGTK-CQSZACIVSA-N 2 2 268.364 2.723 10 0 CFAELP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000299805446 393463816 /nfs/dbraw/zinc/46/38/16/393463816.db2.gz ONXHCEMNMVLTOY-IRXDYDNUSA-N 2 2 270.351 2.752 10 0 CFAELP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000299805446 393463823 /nfs/dbraw/zinc/46/38/23/393463823.db2.gz ONXHCEMNMVLTOY-IRXDYDNUSA-N 2 2 270.351 2.752 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC3CCC2CC3)C1 ZINC000382035932 393569239 /nfs/dbraw/zinc/56/92/39/393569239.db2.gz CQLWEKABQODVHQ-WVTZPBJPSA-N 2 2 250.430 2.885 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC3CCC2CC3)C1 ZINC000382035932 393569248 /nfs/dbraw/zinc/56/92/48/393569248.db2.gz CQLWEKABQODVHQ-WVTZPBJPSA-N 2 2 250.430 2.885 10 0 CFAELP [NH3+]C1CCC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000051692772 393617211 /nfs/dbraw/zinc/61/72/11/393617211.db2.gz PNEJKUUZYHZXDK-ABHNRTSZSA-N 3 2 287.451 2.511 10 0 CFAELP [NH3+]C1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000051692772 393617214 /nfs/dbraw/zinc/61/72/14/393617214.db2.gz PNEJKUUZYHZXDK-ABHNRTSZSA-N 3 2 287.451 2.511 10 0 CFAELP CCC[C@@H](C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000245893510 393834495 /nfs/dbraw/zinc/83/44/95/393834495.db2.gz QLJONJWTUNOFPD-ROUUACIJSA-N 2 2 290.451 2.833 10 0 CFAELP CCC[C@@H](C[N@H+]1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000245893510 393834497 /nfs/dbraw/zinc/83/44/97/393834497.db2.gz QLJONJWTUNOFPD-ROUUACIJSA-N 2 2 290.451 2.833 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000247054432 393892319 /nfs/dbraw/zinc/89/23/19/393892319.db2.gz FNJADPBYIYYJOC-IAGOWNOFSA-N 2 2 299.418 2.816 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000247054432 393892325 /nfs/dbraw/zinc/89/23/25/393892325.db2.gz FNJADPBYIYYJOC-IAGOWNOFSA-N 2 2 299.418 2.816 10 0 CFAELP Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000121485246 393956661 /nfs/dbraw/zinc/95/66/61/393956661.db2.gz TVRQHXMGVCXNRA-CQSZACIVSA-N 2 2 290.411 2.632 10 0 CFAELP Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000121485246 393956665 /nfs/dbraw/zinc/95/66/65/393956665.db2.gz TVRQHXMGVCXNRA-CQSZACIVSA-N 2 2 290.411 2.632 10 0 CFAELP CC(C)[C@@H]1CN(c2ccc([NH+](C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000083449836 135022321 /nfs/dbraw/zinc/02/23/21/135022321.db2.gz ZGMLSQHEGGLDSL-BBRMVZONSA-N 2 2 261.413 2.575 10 0 CFAELP Cc1cc[nH+]cc1N1C[C@@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000083449895 135022457 /nfs/dbraw/zinc/02/24/57/135022457.db2.gz SYJVFKXSYULRBE-LSDHHAIUSA-N 2 2 261.413 2.849 10 0 CFAELP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc([NH+](C)C)cc1 ZINC000083545994 135029090 /nfs/dbraw/zinc/02/90/90/135029090.db2.gz XTTFOEZPOCJCOJ-WMLDXEAASA-N 2 2 275.440 2.965 10 0 CFAELP C[C@@H]1C[C@H]([NH2+][C@H](C[NH+](C)C)c2ccccc2)C[C@H](C)O1 ZINC000648406790 395130061 /nfs/dbraw/zinc/13/00/61/395130061.db2.gz IHMLWRFHKHIMEU-YQFWSFKMSA-N 2 2 276.424 2.835 10 0 CFAELP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)C1 ZINC000384488757 543101450 /nfs/dbraw/zinc/10/14/50/543101450.db2.gz JONYZKUQORWEFU-GVDBMIGSSA-N 2 2 282.472 2.638 10 0 CFAELP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC000384488757 543101451 /nfs/dbraw/zinc/10/14/51/543101451.db2.gz JONYZKUQORWEFU-GVDBMIGSSA-N 2 2 282.472 2.638 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[NH+]1CCC(C)(C)CC1 ZINC000061818340 522653456 /nfs/dbraw/zinc/65/34/56/522653456.db2.gz DCNGZIJKDWWYDS-CABCVRRESA-N 2 2 261.413 2.982 10 0 CFAELP c1[nH+]c2n(c1C[NH2+][C@H]1CCc3ccccc31)CCC2 ZINC000657295156 413411276 /nfs/dbraw/zinc/41/12/76/413411276.db2.gz JISNWRNWDQWYPY-HNNXBMFYSA-N 2 2 253.349 2.606 10 0 CFAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)n1C ZINC000657302746 413423946 /nfs/dbraw/zinc/42/39/46/413423946.db2.gz WIZOBIBHNAASNP-GHMZBOCLSA-N 2 2 275.318 2.939 10 0 CFAELP CCCOc1ccc([C@@H](C[NH3+])[N@H+](C)CCC)cc1 ZINC000020226550 171090907 /nfs/dbraw/zinc/09/09/07/171090907.db2.gz WAZDJHRYKNLLDC-OAHLLOKOSA-N 2 2 250.386 2.817 10 0 CFAELP CCCOc1ccc([C@@H](C[NH3+])[N@@H+](C)CCC)cc1 ZINC000020226550 171090909 /nfs/dbraw/zinc/09/09/09/171090909.db2.gz WAZDJHRYKNLLDC-OAHLLOKOSA-N 2 2 250.386 2.817 10 0 CFAELP COc1ccc(OC)c([C@@H](C[NH3+])[N@H+](C)CC(C)(C)C)c1 ZINC000020226466 171091514 /nfs/dbraw/zinc/09/15/14/171091514.db2.gz GDUHWNGPOQSAGL-CQSZACIVSA-N 2 2 280.412 2.682 10 0 CFAELP COc1ccc(OC)c([C@@H](C[NH3+])[N@@H+](C)CC(C)(C)C)c1 ZINC000020226466 171091521 /nfs/dbraw/zinc/09/15/21/171091521.db2.gz GDUHWNGPOQSAGL-CQSZACIVSA-N 2 2 280.412 2.682 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000020248452 171102060 /nfs/dbraw/zinc/10/20/60/171102060.db2.gz UBJIPFZWCTVCQI-OAHLLOKOSA-N 2 2 255.365 2.548 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc2ncccc2c1 ZINC000020248452 171102062 /nfs/dbraw/zinc/10/20/62/171102062.db2.gz UBJIPFZWCTVCQI-OAHLLOKOSA-N 2 2 255.365 2.548 10 0 CFAELP C[C@H](c1ccccc1OC(F)F)[NH+]1CCC([NH3+])CC1 ZINC000020521427 171235285 /nfs/dbraw/zinc/23/52/85/171235285.db2.gz HKNDKVQGGIXRTJ-SNVBAGLBSA-N 2 2 270.323 2.772 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022210131 171372954 /nfs/dbraw/zinc/37/29/54/171372954.db2.gz VSTIECHUWGIMER-ZENOOKHLSA-N 2 2 262.397 2.673 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022210131 171372955 /nfs/dbraw/zinc/37/29/55/171372955.db2.gz VSTIECHUWGIMER-ZENOOKHLSA-N 2 2 262.397 2.673 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000022219674 171377222 /nfs/dbraw/zinc/37/72/22/171377222.db2.gz UQFLJZUHWDYGFP-WFASDCNBSA-N 2 2 278.396 2.578 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000022219674 171377223 /nfs/dbraw/zinc/37/72/23/171377223.db2.gz UQFLJZUHWDYGFP-WFASDCNBSA-N 2 2 278.396 2.578 10 0 CFAELP COc1ccc(OC)c([C@@H](C[NH3+])[N@H+](C)C2CCCCC2)c1 ZINC000022220687 171377771 /nfs/dbraw/zinc/37/77/71/171377771.db2.gz IGEOAHKRRBBYRJ-MRXNPFEDSA-N 2 2 292.423 2.968 10 0 CFAELP COc1ccc(OC)c([C@@H](C[NH3+])[N@@H+](C)C2CCCCC2)c1 ZINC000022220687 171377773 /nfs/dbraw/zinc/37/77/73/171377773.db2.gz IGEOAHKRRBBYRJ-MRXNPFEDSA-N 2 2 292.423 2.968 10 0 CFAELP COc1ccc(OC)c([C@H](C[NH3+])[N@H+](C)C2CCCCC2)c1 ZINC000022220688 171377831 /nfs/dbraw/zinc/37/78/31/171377831.db2.gz IGEOAHKRRBBYRJ-INIZCTEOSA-N 2 2 292.423 2.968 10 0 CFAELP COc1ccc(OC)c([C@H](C[NH3+])[N@@H+](C)C2CCCCC2)c1 ZINC000022220688 171377832 /nfs/dbraw/zinc/37/78/32/171377832.db2.gz IGEOAHKRRBBYRJ-INIZCTEOSA-N 2 2 292.423 2.968 10 0 CFAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)c1cc(F)ccc1Br ZINC000034977394 171911273 /nfs/dbraw/zinc/91/12/73/171911273.db2.gz KZVQRCQSGKUZIM-SNVBAGLBSA-N 2 2 284.132 2.554 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(Cl)ccc1OC ZINC000035503841 172237558 /nfs/dbraw/zinc/23/75/58/172237558.db2.gz HOYHHEPLPLTMBO-LLVKDONJSA-N 2 2 265.744 2.575 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(F)ccc1Br ZINC000035504148 172237594 /nfs/dbraw/zinc/23/75/94/172237594.db2.gz YDUJZAALCDUERB-NSHDSACASA-N 2 2 298.159 2.815 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(F)cc(Br)c1 ZINC000035503551 172237746 /nfs/dbraw/zinc/23/77/46/172237746.db2.gz LHEWNMJXXHGSJK-LLVKDONJSA-N 2 2 298.159 2.815 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)Cc1ccc(Br)cc1 ZINC000035504075 172237876 /nfs/dbraw/zinc/23/78/76/172237876.db2.gz KQMHOSGOWCDJMS-LBPRGKRZSA-N 2 2 294.196 2.545 10 0 CFAELP C[N@H+]([C@@H](C[NH3+])c1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000037174532 173009880 /nfs/dbraw/zinc/00/98/80/173009880.db2.gz SUGMKSUZPSNSOE-OLZOCXBDSA-N 2 2 270.829 2.777 10 0 CFAELP C[N@@H+]([C@@H](C[NH3+])c1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000037174532 173009883 /nfs/dbraw/zinc/00/98/83/173009883.db2.gz SUGMKSUZPSNSOE-OLZOCXBDSA-N 2 2 270.829 2.777 10 0 CFAELP CCC[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037241924 173058117 /nfs/dbraw/zinc/05/81/17/173058117.db2.gz BFYDSBLXYYOILT-UHFFFAOYSA-N 2 2 250.361 2.790 10 0 CFAELP C[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccccc1OC(F)F ZINC000037925221 173864284 /nfs/dbraw/zinc/86/42/84/173864284.db2.gz LVKBHCHBMRWCOE-LBPRGKRZSA-N 2 2 270.323 2.630 10 0 CFAELP C[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccccc1OC(F)F ZINC000037925221 173864285 /nfs/dbraw/zinc/86/42/85/173864285.db2.gz LVKBHCHBMRWCOE-LBPRGKRZSA-N 2 2 270.323 2.630 10 0 CFAELP C[C@@H](CNc1[nH]c2ccccc2[nH+]1)[NH+]1CCCCC1 ZINC000038029308 174019461 /nfs/dbraw/zinc/01/94/61/174019461.db2.gz VPZIFDIILFSYCR-LBPRGKRZSA-N 2 2 258.369 2.849 10 0 CFAELP CC[N@@H+]1CC[C@H](C[NH2+]Cc2nc3ccccc3s2)C1 ZINC000038090435 174104006 /nfs/dbraw/zinc/10/40/06/174104006.db2.gz QQNGQFZVUXQVRR-GFCCVEGCSA-N 2 2 275.421 2.728 10 0 CFAELP CC[N@H+]1CC[C@H](C[NH2+]Cc2nc3ccccc3s2)C1 ZINC000038090435 174104008 /nfs/dbraw/zinc/10/40/08/174104008.db2.gz QQNGQFZVUXQVRR-GFCCVEGCSA-N 2 2 275.421 2.728 10 0 CFAELP COc1cccc([C@@H]([NH3+])C[N@H+](C)Cc2ccccc2)c1 ZINC000038137748 174133630 /nfs/dbraw/zinc/13/36/30/174133630.db2.gz VUFIQFHYERLEPK-KRWDZBQOSA-N 2 2 270.376 2.827 10 0 CFAELP COc1cccc([C@@H]([NH3+])C[N@@H+](C)Cc2ccccc2)c1 ZINC000038137748 174133632 /nfs/dbraw/zinc/13/36/32/174133632.db2.gz VUFIQFHYERLEPK-KRWDZBQOSA-N 2 2 270.376 2.827 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000039789161 174173623 /nfs/dbraw/zinc/17/36/23/174173623.db2.gz YJLQILLSWPJEAF-VNHYZAJKSA-N 2 2 292.423 2.967 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000039789161 174173625 /nfs/dbraw/zinc/17/36/25/174173625.db2.gz YJLQILLSWPJEAF-VNHYZAJKSA-N 2 2 292.423 2.967 10 0 CFAELP C[C@H](CCc1ccccc1)[NH2+]CCc1[nH+]ccn1C ZINC000040638654 174362707 /nfs/dbraw/zinc/36/27/07/174362707.db2.gz GVGGROCJIDPDMH-CQSZACIVSA-N 2 2 257.381 2.574 10 0 CFAELP C[N@H+](Cc1cc2ccccc2cc1N)C1CC[NH+](C)CC1 ZINC000040638327 174362715 /nfs/dbraw/zinc/36/27/15/174362715.db2.gz QSSXHWFTMNVWNR-UHFFFAOYSA-N 2 2 283.419 2.948 10 0 CFAELP C[N@@H+](Cc1cc2ccccc2cc1N)C1CC[NH+](C)CC1 ZINC000040638327 174362716 /nfs/dbraw/zinc/36/27/16/174362716.db2.gz QSSXHWFTMNVWNR-UHFFFAOYSA-N 2 2 283.419 2.948 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000040638523 174362924 /nfs/dbraw/zinc/36/29/24/174362924.db2.gz BQROLRCLPCZMSI-UHFFFAOYSA-N 2 2 283.297 2.771 10 0 CFAELP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671333 174369913 /nfs/dbraw/zinc/36/99/13/174369913.db2.gz QMZHNGGRRRKZIK-DOTOQJQBSA-N 2 2 260.425 2.938 10 0 CFAELP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671333 174369914 /nfs/dbraw/zinc/36/99/14/174369914.db2.gz QMZHNGGRRRKZIK-DOTOQJQBSA-N 2 2 260.425 2.938 10 0 CFAELP CCOC1CC[NH+]([C@H](C[NH3+])c2ccc(C)c(C)c2)CC1 ZINC000040678587 174374546 /nfs/dbraw/zinc/37/45/46/174374546.db2.gz RUAUASAXAIRLTG-QGZVFWFLSA-N 2 2 276.424 2.804 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c(c(Cl)c1)OCO2 ZINC000040750194 174395218 /nfs/dbraw/zinc/39/52/18/174395218.db2.gz KHMZCGHLJAMIAQ-YOGCLGLASA-N 2 2 294.782 2.523 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(c(Cl)c1)OCO2 ZINC000040750194 174395219 /nfs/dbraw/zinc/39/52/19/174395219.db2.gz KHMZCGHLJAMIAQ-YOGCLGLASA-N 2 2 294.782 2.523 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)n1cc[nH+]c1 ZINC000043022044 174945581 /nfs/dbraw/zinc/94/55/81/174945581.db2.gz YPXYPTBABBAGJL-BXKDBHETSA-N 2 2 280.169 2.582 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccccc1Cl)[NH+]1CCC(CO)CC1 ZINC000043051242 174959147 /nfs/dbraw/zinc/95/91/47/174959147.db2.gz HWAHCIBANXYTGX-HZPDHXFCSA-N 2 2 296.842 2.823 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043341036 175015402 /nfs/dbraw/zinc/01/54/02/175015402.db2.gz CXDMHOHIOLKEGY-YSVLISHTSA-N 2 2 291.439 2.607 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043341036 175015403 /nfs/dbraw/zinc/01/54/03/175015403.db2.gz CXDMHOHIOLKEGY-YSVLISHTSA-N 2 2 291.439 2.607 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)CC1CCCCC1 ZINC000043347692 175017827 /nfs/dbraw/zinc/01/78/27/175017827.db2.gz LVZXWSARYADATE-CZUORRHYSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)CC1CCCCC1 ZINC000043347692 175017828 /nfs/dbraw/zinc/01/78/28/175017828.db2.gz LVZXWSARYADATE-CZUORRHYSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)CC1CCCCC1 ZINC000043354250 175021631 /nfs/dbraw/zinc/02/16/31/175021631.db2.gz UUIBUXYRMQRREL-CZUORRHYSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)CC1CCCCC1 ZINC000043354250 175021633 /nfs/dbraw/zinc/02/16/33/175021633.db2.gz UUIBUXYRMQRREL-CZUORRHYSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043354738 175021951 /nfs/dbraw/zinc/02/19/51/175021951.db2.gz MGMAGPSDFCVZCK-XKQJLSEDSA-N 2 2 291.439 2.607 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043354738 175021952 /nfs/dbraw/zinc/02/19/52/175021952.db2.gz MGMAGPSDFCVZCK-XKQJLSEDSA-N 2 2 291.439 2.607 10 0 CFAELP CCC(CC)[N@H+](CCOC)[C@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354728 175022468 /nfs/dbraw/zinc/02/24/68/175022468.db2.gz ZALQCBWEPYKGCA-CJNGLKHVSA-N 2 2 279.428 2.607 10 0 CFAELP CCC(CC)[N@@H+](CCOC)[C@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354728 175022470 /nfs/dbraw/zinc/02/24/70/175022470.db2.gz ZALQCBWEPYKGCA-CJNGLKHVSA-N 2 2 279.428 2.607 10 0 CFAELP CCC(CC)[N@@H+](CCOC)[C@@H](c1ccncc1)[C@H]([NH3+])CC ZINC000043354729 175022680 /nfs/dbraw/zinc/02/26/80/175022680.db2.gz ICEXERKYXHWFMU-SJORKVTESA-N 2 2 293.455 2.997 10 0 CFAELP CCC(CC)[N@H+](CCOC)[C@@H](c1ccncc1)[C@H]([NH3+])CC ZINC000043354729 175022681 /nfs/dbraw/zinc/02/26/81/175022681.db2.gz ICEXERKYXHWFMU-SJORKVTESA-N 2 2 293.455 2.997 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](CCOC)CC(C)C ZINC000043364971 175025929 /nfs/dbraw/zinc/02/59/29/175025929.db2.gz DEVVVHZRKCOZPP-ZBFHGGJFSA-N 2 2 282.428 2.971 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](CCOC)CC(C)C ZINC000043364971 175025931 /nfs/dbraw/zinc/02/59/31/175025931.db2.gz DEVVVHZRKCOZPP-ZBFHGGJFSA-N 2 2 282.428 2.971 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](CCO)C1CCCC1 ZINC000043365205 175026372 /nfs/dbraw/zinc/02/63/72/175026372.db2.gz CAKOZXVYZWUHJO-ZBFHGGJFSA-N 2 2 280.412 2.603 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](CCO)C1CCCC1 ZINC000043365205 175026373 /nfs/dbraw/zinc/02/63/73/175026373.db2.gz CAKOZXVYZWUHJO-ZBFHGGJFSA-N 2 2 280.412 2.603 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043379396 175030860 /nfs/dbraw/zinc/03/08/60/175030860.db2.gz PFYDWJDTONPXCC-HQJQHLMTSA-N 2 2 257.259 2.795 10 0 CFAELP C[N@H+]([C@@H](C[NH3+])c1ccc(Cl)c(F)c1)C1CCOCC1 ZINC000043390361 175033722 /nfs/dbraw/zinc/03/37/22/175033722.db2.gz RBWIVIBWTJUUIO-AWEZNQCLSA-N 2 2 286.778 2.590 10 0 CFAELP C[N@@H+]([C@@H](C[NH3+])c1ccc(Cl)c(F)c1)C1CCOCC1 ZINC000043390361 175033724 /nfs/dbraw/zinc/03/37/24/175033724.db2.gz RBWIVIBWTJUUIO-AWEZNQCLSA-N 2 2 286.778 2.590 10 0 CFAELP COCC[N@H+](CC(C)C)[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394452 175034730 /nfs/dbraw/zinc/03/47/30/175034730.db2.gz OKSGLXUWDNZJST-KRWDZBQOSA-N 2 2 278.440 2.908 10 0 CFAELP COCC[N@@H+](CC(C)C)[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394452 175034731 /nfs/dbraw/zinc/03/47/31/175034731.db2.gz OKSGLXUWDNZJST-KRWDZBQOSA-N 2 2 278.440 2.908 10 0 CFAELP CCOC1CC[NH+]([C@@H](C[NH3+])c2cc(C)cc(C)c2)CC1 ZINC000043394257 175034906 /nfs/dbraw/zinc/03/49/06/175034906.db2.gz CCZBILKLBOYPRG-KRWDZBQOSA-N 2 2 276.424 2.804 10 0 CFAELP COc1ccccc1C[N@H+](C)CC[C@H]1CCCC[NH2+]1 ZINC000043498939 175058197 /nfs/dbraw/zinc/05/81/97/175058197.db2.gz XBFXJIXEJHNYTJ-OAHLLOKOSA-N 2 2 262.397 2.659 10 0 CFAELP COc1ccccc1C[N@@H+](C)CC[C@H]1CCCC[NH2+]1 ZINC000043498939 175058198 /nfs/dbraw/zinc/05/81/98/175058198.db2.gz XBFXJIXEJHNYTJ-OAHLLOKOSA-N 2 2 262.397 2.659 10 0 CFAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)c1ccc(F)c(C(F)(F)F)c1 ZINC000043566485 175066973 /nfs/dbraw/zinc/06/69/73/175066973.db2.gz GFWHKEPYFQUDKU-SNVBAGLBSA-N 2 2 273.233 2.810 10 0 CFAELP C[C@@H](Cc1ccco1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000043596232 175076573 /nfs/dbraw/zinc/07/65/73/175076573.db2.gz OHEJQIADMYLECS-SUMWQHHRSA-N 2 2 270.376 2.687 10 0 CFAELP CCC[NH2+][C@H](C[NH+]1CCCC1)c1ccc(OC)c(OC)c1 ZINC000043807757 175108982 /nfs/dbraw/zinc/10/89/82/175108982.db2.gz KIWVEKSPJCIEMX-OAHLLOKOSA-N 2 2 292.423 2.840 10 0 CFAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000043818807 175113896 /nfs/dbraw/zinc/11/38/96/175113896.db2.gz ZKEKKBIKGZFNRY-PVAVHDDUSA-N 2 2 275.440 2.723 10 0 CFAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818807 175113897 /nfs/dbraw/zinc/11/38/97/175113897.db2.gz ZKEKKBIKGZFNRY-PVAVHDDUSA-N 2 2 275.440 2.723 10 0 CFAELP CC[NH2+][C@H](C[N@H+](C)CCc1ccccn1)C(C)(C)C ZINC000043818811 175114010 /nfs/dbraw/zinc/11/40/10/175114010.db2.gz OBKAWHCHBKMSHA-OAHLLOKOSA-N 2 2 263.429 2.580 10 0 CFAELP CC[NH2+][C@H](C[N@@H+](C)CCc1ccccn1)C(C)(C)C ZINC000043818811 175114011 /nfs/dbraw/zinc/11/40/11/175114011.db2.gz OBKAWHCHBKMSHA-OAHLLOKOSA-N 2 2 263.429 2.580 10 0 CFAELP CCOc1ccc([C@@H](C)[NH2+]C)cc1C[N@@H+]1CCOC[C@@H]1C ZINC000043891291 175117996 /nfs/dbraw/zinc/11/79/96/175117996.db2.gz KRHQWQYQPSECDP-UONOGXRCSA-N 2 2 292.423 2.586 10 0 CFAELP CCOc1ccc([C@@H](C)[NH2+]C)cc1C[N@H+]1CCOC[C@@H]1C ZINC000043891291 175117997 /nfs/dbraw/zinc/11/79/97/175117997.db2.gz KRHQWQYQPSECDP-UONOGXRCSA-N 2 2 292.423 2.586 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+]1CCOC[C@@H]1CC ZINC000043899347 175122045 /nfs/dbraw/zinc/12/20/45/175122045.db2.gz OMCFSSPSVURWED-XHSDSOJGSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+]1CCOC[C@@H]1CC ZINC000043899347 175122047 /nfs/dbraw/zinc/12/20/47/175122047.db2.gz OMCFSSPSVURWED-XHSDSOJGSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+]1CCOC[C@@H]1CC ZINC000043899337 175122180 /nfs/dbraw/zinc/12/21/80/175122180.db2.gz CWWYHXUEPQJPDK-QXSJWSMHSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+]1CCOC[C@@H]1CC ZINC000043899337 175122182 /nfs/dbraw/zinc/12/21/82/175122182.db2.gz CWWYHXUEPQJPDK-QXSJWSMHSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@@H](C)[C@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911737 175123922 /nfs/dbraw/zinc/12/39/22/175123922.db2.gz KBUWDQUROZSHMS-KBPBESRZSA-N 2 2 264.413 2.904 10 0 CFAELP CCC[NH2+][C@@H](C)[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911737 175123923 /nfs/dbraw/zinc/12/39/23/175123923.db2.gz KBUWDQUROZSHMS-KBPBESRZSA-N 2 2 264.413 2.904 10 0 CFAELP CC[NH2+][C@@H](CC)[C@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911605 175123964 /nfs/dbraw/zinc/12/39/64/175123964.db2.gz GSUDGMMGYSGHDL-BBRMVZONSA-N 2 2 264.413 2.904 10 0 CFAELP CC[NH2+][C@@H](CC)[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911605 175123965 /nfs/dbraw/zinc/12/39/65/175123965.db2.gz GSUDGMMGYSGHDL-BBRMVZONSA-N 2 2 264.413 2.904 10 0 CFAELP CC[N@H+](Cc1ccncc1)[C@H]1CCCCC[C@@H]1[NH2+]C ZINC000043968846 175129413 /nfs/dbraw/zinc/12/94/13/175129413.db2.gz SKBNXSCIVMKWNO-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP CC[N@@H+](Cc1ccncc1)[C@H]1CCCCC[C@@H]1[NH2+]C ZINC000043968846 175129414 /nfs/dbraw/zinc/12/94/14/175129414.db2.gz SKBNXSCIVMKWNO-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP CCc1ccc([C@@H]([NH2+]C)[C@H](C)[N@H+](CC)CCOC)cc1 ZINC000043968582 175129622 /nfs/dbraw/zinc/12/96/22/175129622.db2.gz WOYJQWVBQHXSMJ-YOEHRIQHSA-N 2 2 278.440 2.866 10 0 CFAELP CCc1ccc([C@@H]([NH2+]C)[C@H](C)[N@@H+](CC)CCOC)cc1 ZINC000043968582 175129623 /nfs/dbraw/zinc/12/96/23/175129623.db2.gz WOYJQWVBQHXSMJ-YOEHRIQHSA-N 2 2 278.440 2.866 10 0 CFAELP CC[NH2+][C@@H](C[N@H+](C)[C@@H](C)COC)c1ccc(C)c(C)c1 ZINC000043969301 175130575 /nfs/dbraw/zinc/13/05/75/175130575.db2.gz MGBDXFBUUGACKA-RDJZCZTQSA-N 2 2 278.440 2.921 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+](C)[C@@H](C)COC)c1ccc(C)c(C)c1 ZINC000043969301 175130576 /nfs/dbraw/zinc/13/05/76/175130576.db2.gz MGBDXFBUUGACKA-RDJZCZTQSA-N 2 2 278.440 2.921 10 0 CFAELP CC[NH2+][C@H](C[N@H+](C)[C@@H](C)COC)c1ccc(CC)cc1 ZINC000043969309 175130591 /nfs/dbraw/zinc/13/05/91/175130591.db2.gz RUADIDOAMBXXLN-WMLDXEAASA-N 2 2 278.440 2.866 10 0 CFAELP CC[NH2+][C@H](C[N@@H+](C)[C@@H](C)COC)c1ccc(CC)cc1 ZINC000043969309 175130594 /nfs/dbraw/zinc/13/05/94/175130594.db2.gz RUADIDOAMBXXLN-WMLDXEAASA-N 2 2 278.440 2.866 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2CC[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043970030 175131324 /nfs/dbraw/zinc/13/13/24/175131324.db2.gz DSDOIEXRHRSPKJ-ROUUACIJSA-N 2 2 288.435 2.763 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2CC[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043970030 175131326 /nfs/dbraw/zinc/13/13/26/175131326.db2.gz DSDOIEXRHRSPKJ-ROUUACIJSA-N 2 2 288.435 2.763 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](CC(C)C)C(C)C)OCCO2 ZINC000043973956 175132638 /nfs/dbraw/zinc/13/26/38/175132638.db2.gz DTLCKMBYPUTGBL-HOTGVXAUSA-N 2 2 298.471 2.627 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](CC(C)C)C(C)C)OCCO2 ZINC000043973956 175132640 /nfs/dbraw/zinc/13/26/40/175132640.db2.gz DTLCKMBYPUTGBL-HOTGVXAUSA-N 2 2 298.471 2.627 10 0 CFAELP CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(OCC)cc1 ZINC000043993002 175135664 /nfs/dbraw/zinc/13/56/64/175135664.db2.gz ODDKQBAIZORUFL-OAHLLOKOSA-N 2 2 259.353 2.633 10 0 CFAELP CCC[NH2+][C@@H](Cn1cc[nH+]c1)c1cccc(OC)c1 ZINC000043992695 175135874 /nfs/dbraw/zinc/13/58/74/175135874.db2.gz VRLNQRAFWHSQRT-HNNXBMFYSA-N 2 2 259.353 2.633 10 0 CFAELP CC[C@H]([C@@H](O)c1ccccc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC000044121262 175142785 /nfs/dbraw/zinc/14/27/85/175142785.db2.gz YTAMNYAPIUWDHY-SJORKVTESA-N 2 2 276.424 2.525 10 0 CFAELP CC[C@H]([C@@H](O)c1ccccc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000044121262 175142786 /nfs/dbraw/zinc/14/27/86/175142786.db2.gz YTAMNYAPIUWDHY-SJORKVTESA-N 2 2 276.424 2.525 10 0 CFAELP [NH3+][C@@H](c1ccc(F)c(F)c1)[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000044138928 175146433 /nfs/dbraw/zinc/14/64/33/175146433.db2.gz JAHUVZNVYIGQKH-KBPBESRZSA-N 2 2 284.256 2.943 10 0 CFAELP C[C@@H](CC[NH2+][C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000044427717 175175215 /nfs/dbraw/zinc/17/52/15/175175215.db2.gz KEICOKKQOLDBAC-WMLDXEAASA-N 2 2 258.409 2.864 10 0 CFAELP COc1ccc([C@H](C)[N@@H+]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000044539773 175200747 /nfs/dbraw/zinc/20/07/47/175200747.db2.gz WKZWIPAIQHUVGD-GXTWGEPZSA-N 2 2 278.396 2.578 10 0 CFAELP COc1ccc([C@H](C)[N@H+]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000044539773 175200749 /nfs/dbraw/zinc/20/07/49/175200749.db2.gz WKZWIPAIQHUVGD-GXTWGEPZSA-N 2 2 278.396 2.578 10 0 CFAELP Cc1nc(C[N@@H+](C)Cc2ccccc2C[NH3+])cs1 ZINC000044608661 175215797 /nfs/dbraw/zinc/21/57/97/175215797.db2.gz HGXRGZSXDIBNME-UHFFFAOYSA-N 2 2 261.394 2.542 10 0 CFAELP Cc1nc(C[N@H+](C)Cc2ccccc2C[NH3+])cs1 ZINC000044608661 175215798 /nfs/dbraw/zinc/21/57/98/175215798.db2.gz HGXRGZSXDIBNME-UHFFFAOYSA-N 2 2 261.394 2.542 10 0 CFAELP CCOC[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000044690559 175233081 /nfs/dbraw/zinc/23/30/81/175233081.db2.gz BDBBLLMTEFEBIL-ZIAGYGMSSA-N 2 2 273.380 2.948 10 0 CFAELP Oc1ccc2c(c1)CCC[C@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000044747577 175242949 /nfs/dbraw/zinc/24/29/49/175242949.db2.gz XQLRLOGJXZCMKB-QGZVFWFLSA-N 2 2 274.408 2.845 10 0 CFAELP Oc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044747617 175243112 /nfs/dbraw/zinc/24/31/12/175243112.db2.gz OZPGNAHKCKPUPD-CXAGYDPISA-N 2 2 272.392 2.596 10 0 CFAELP Oc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044747617 175243113 /nfs/dbraw/zinc/24/31/13/175243113.db2.gz OZPGNAHKCKPUPD-CXAGYDPISA-N 2 2 272.392 2.596 10 0 CFAELP COC(=O)[C@](C)(CCCC[N@@H+]1CCC[C@@H]1C)[NH2+]C(C)C ZINC000045367823 175362960 /nfs/dbraw/zinc/36/29/60/175362960.db2.gz IQRFDKQLFALGRU-HOCLYGCPSA-N 2 2 284.444 2.571 10 0 CFAELP COC(=O)[C@](C)(CCCC[N@H+]1CCC[C@@H]1C)[NH2+]C(C)C ZINC000045367823 175362961 /nfs/dbraw/zinc/36/29/61/175362961.db2.gz IQRFDKQLFALGRU-HOCLYGCPSA-N 2 2 284.444 2.571 10 0 CFAELP CCC[NH2+][C@](C)(CCC[N@@H+]1CCC[C@@H]1CC)C(=O)OCC ZINC000045367536 175363053 /nfs/dbraw/zinc/36/30/53/175363053.db2.gz IXNNXRYUNZSLHY-DOTOQJQBSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@](C)(CCC[N@H+]1CCC[C@@H]1CC)C(=O)OCC ZINC000045367536 175363054 /nfs/dbraw/zinc/36/30/54/175363054.db2.gz IXNNXRYUNZSLHY-DOTOQJQBSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[NH+]1CCCCCCC1)C(=O)OC ZINC000045371618 175364138 /nfs/dbraw/zinc/36/41/38/175364138.db2.gz HNHCBWLBFSTDDR-KRWDZBQOSA-N 2 2 298.471 2.964 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[NH+]1[C@@H](C)CCC[C@@H]1C)[NH2+]C ZINC000045379596 175368211 /nfs/dbraw/zinc/36/82/11/175368211.db2.gz OSPLNBRELLXDCR-YQQAZPJKSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH2+]C ZINC000045379592 175368357 /nfs/dbraw/zinc/36/83/57/175368357.db2.gz OSPLNBRELLXDCR-HLLBOEOZSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH2+]C ZINC000045379592 175368360 /nfs/dbraw/zinc/36/83/60/175368360.db2.gz OSPLNBRELLXDCR-HLLBOEOZSA-N 2 2 298.471 2.961 10 0 CFAELP Cc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2ccccc2)[nH+]1 ZINC000045947039 175387905 /nfs/dbraw/zinc/38/79/05/175387905.db2.gz AJGUKQGCWVOTHP-AWEZNQCLSA-N 2 2 282.391 2.864 10 0 CFAELP COc1ccc2ccccc2c1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000045946287 175387969 /nfs/dbraw/zinc/38/79/69/175387969.db2.gz CEXBFGGLHDLFSH-UHFFFAOYSA-N 2 2 281.359 2.904 10 0 CFAELP COc1ccc2ccccc2c1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000045946287 175387970 /nfs/dbraw/zinc/38/79/70/175387970.db2.gz CEXBFGGLHDLFSH-UHFFFAOYSA-N 2 2 281.359 2.904 10 0 CFAELP Cc1[nH+]c(Nc2ccccc2)nc(N2CCC[NH2+]CC2)c1C ZINC000045947836 175388437 /nfs/dbraw/zinc/38/84/37/175388437.db2.gz YASCKLURMDHFIF-UHFFFAOYSA-N 2 2 297.406 2.637 10 0 CFAELP CCc1c(C)[nH+]c(C(C)C)nc1N[C@@H]1CCC[NH2+]C1 ZINC000045955197 175388978 /nfs/dbraw/zinc/38/89/78/175388978.db2.gz HJOLBNWZWJXLFU-GFCCVEGCSA-N 2 2 262.401 2.635 10 0 CFAELP CCc1c(C)[nH+]c(C(C)C)nc1NCC1CC[NH2+]CC1 ZINC000070456073 175940265 /nfs/dbraw/zinc/94/02/65/175940265.db2.gz OBUCGVGOKBQTRM-UHFFFAOYSA-N 2 2 276.428 2.882 10 0 CFAELP COc1ccc(C[N@H+](CC[NH3+])C(C)C)cc1Cl ZINC000076663554 177049911 /nfs/dbraw/zinc/04/99/11/177049911.db2.gz JCMBZJATLNWUFH-UHFFFAOYSA-N 2 2 256.777 2.518 10 0 CFAELP COc1ccc(C[N@@H+](CC[NH3+])C(C)C)cc1Cl ZINC000076663554 177049913 /nfs/dbraw/zinc/04/99/13/177049913.db2.gz JCMBZJATLNWUFH-UHFFFAOYSA-N 2 2 256.777 2.518 10 0 CFAELP CC[N@@H+]1CCC[C@@H]1CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000302102980 276170177 /nfs/dbraw/zinc/17/01/77/276170177.db2.gz QRJCPPBAIIUGEY-CQSZACIVSA-N 2 2 288.439 2.584 10 0 CFAELP CC[N@H+]1CCC[C@@H]1CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000302102980 276170178 /nfs/dbraw/zinc/17/01/78/276170178.db2.gz QRJCPPBAIIUGEY-CQSZACIVSA-N 2 2 288.439 2.584 10 0 CFAELP CC(C)n1cc[nH+]c1CN1CC[NH2+]CC12CCCCC2 ZINC000334863075 280777818 /nfs/dbraw/zinc/77/78/18/280777818.db2.gz XQKFYQSBUQTOGR-UHFFFAOYSA-N 2 2 276.428 2.572 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000246970686 281002072 /nfs/dbraw/zinc/00/20/72/281002072.db2.gz JDKYJTAVACJKEU-HOCLYGCPSA-N 2 2 262.372 2.887 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000246970686 281002073 /nfs/dbraw/zinc/00/20/73/281002073.db2.gz JDKYJTAVACJKEU-HOCLYGCPSA-N 2 2 262.372 2.887 10 0 CFAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccc(F)c(F)c1 ZINC000396683292 281196670 /nfs/dbraw/zinc/19/66/70/281196670.db2.gz WFYQSGYJQQUGCZ-PKFCDNJMSA-N 2 2 254.324 2.756 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cncc(Br)c2)C1 ZINC000566499853 290395929 /nfs/dbraw/zinc/39/59/29/290395929.db2.gz AYOGCINHODPJBQ-GWCFXTLKSA-N 2 2 298.228 2.589 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cncc(Br)c2)C1 ZINC000566499853 290395931 /nfs/dbraw/zinc/39/59/31/290395931.db2.gz AYOGCINHODPJBQ-GWCFXTLKSA-N 2 2 298.228 2.589 10 0 CFAELP COc1ccccc1C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000154637163 295364328 /nfs/dbraw/zinc/36/43/28/295364328.db2.gz XHILDLQNOZPHNN-DLBZAZTESA-N 2 2 290.451 2.946 10 0 CFAELP COc1ccccc1C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C(C)C ZINC000154637163 295364329 /nfs/dbraw/zinc/36/43/29/295364329.db2.gz XHILDLQNOZPHNN-DLBZAZTESA-N 2 2 290.451 2.946 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216235068 328127682 /nfs/dbraw/zinc/12/76/82/328127682.db2.gz SEMNIIJTNJBBIQ-QWHCGFSZSA-N 2 2 255.365 2.717 10 0 CFAELP COC[C@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000187755358 324001940 /nfs/dbraw/zinc/00/19/40/324001940.db2.gz AZOJZVWDRVDICR-AEFFLSMTSA-N 2 2 290.451 2.913 10 0 CFAELP COC[C@H](C)C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000187755358 324001945 /nfs/dbraw/zinc/00/19/45/324001945.db2.gz AZOJZVWDRVDICR-AEFFLSMTSA-N 2 2 290.451 2.913 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000049197842 519793985 /nfs/dbraw/zinc/79/39/85/519793985.db2.gz YAMNQQUJWYRZBO-HUUCEWRRSA-N 2 2 262.397 2.555 10 0 CFAELP CCC[NH2+]C[C@H](CC)[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372883 519931911 /nfs/dbraw/zinc/93/19/11/519931911.db2.gz DNLFNSOLKWPUDF-HNNXBMFYSA-N 2 2 264.413 2.905 10 0 CFAELP CCCOc1ccc([C@@H](C[NH3+])[N@H+](CC)C2CC2)cc1 ZINC000052919938 520416399 /nfs/dbraw/zinc/41/63/99/520416399.db2.gz AEXVRXWTCVWBBV-MRXNPFEDSA-N 2 2 262.397 2.960 10 0 CFAELP CCCOc1ccc([C@@H](C[NH3+])[N@@H+](CC)C2CC2)cc1 ZINC000052919938 520416413 /nfs/dbraw/zinc/41/64/13/520416413.db2.gz AEXVRXWTCVWBBV-MRXNPFEDSA-N 2 2 262.397 2.960 10 0 CFAELP CC[N@H+](Cc1ccc(F)cc1F)[C@](C)(CC)C[NH3+] ZINC000050872221 521316313 /nfs/dbraw/zinc/31/63/13/521316313.db2.gz LKDKZHNADSDSJY-CQSZACIVSA-N 2 2 256.340 2.914 10 0 CFAELP CC[N@@H+](Cc1ccc(F)cc1F)[C@](C)(CC)C[NH3+] ZINC000050872221 521316323 /nfs/dbraw/zinc/31/63/23/521316323.db2.gz LKDKZHNADSDSJY-CQSZACIVSA-N 2 2 256.340 2.914 10 0 CFAELP CC[NH+]1CCC([N@H+](C)[C@@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052544083 521566151 /nfs/dbraw/zinc/56/61/51/521566151.db2.gz OCGGEJGUSJJAEI-AWEZNQCLSA-N 3 2 269.477 2.569 10 0 CFAELP CC[NH+]1CCC([N@@H+](C)[C@@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052544083 521566156 /nfs/dbraw/zinc/56/61/56/521566156.db2.gz OCGGEJGUSJJAEI-AWEZNQCLSA-N 3 2 269.477 2.569 10 0 CFAELP CC(C)[NH2+]CC1(C[N@H+](C)Cc2ccco2)CCOCC1 ZINC000052181557 519719668 /nfs/dbraw/zinc/71/96/68/519719668.db2.gz BSDHJMQGWNHAHL-UHFFFAOYSA-N 2 2 280.412 2.506 10 0 CFAELP CC(C)[NH2+]CC1(C[N@@H+](C)Cc2ccco2)CCOCC1 ZINC000052181557 519719670 /nfs/dbraw/zinc/71/96/70/519719670.db2.gz BSDHJMQGWNHAHL-UHFFFAOYSA-N 2 2 280.412 2.506 10 0 CFAELP CC(C)[NH2+]C[C@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417256 519724413 /nfs/dbraw/zinc/72/44/13/519724413.db2.gz LSYYGUYFKGROJT-GOSISDBHSA-N 2 2 289.467 2.831 10 0 CFAELP CC(C)C[NH2+]CCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418205 519743720 /nfs/dbraw/zinc/74/37/20/519743720.db2.gz BPXYGLZFRYWIRU-UHFFFAOYSA-N 2 2 293.430 2.583 10 0 CFAELP CC(C)[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000062624017 519804639 /nfs/dbraw/zinc/80/46/39/519804639.db2.gz QXSLBAIVLKQLRB-HNNXBMFYSA-N 2 2 250.361 2.646 10 0 CFAELP CC(C)[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000062624017 519804640 /nfs/dbraw/zinc/80/46/40/519804640.db2.gz QXSLBAIVLKQLRB-HNNXBMFYSA-N 2 2 250.361 2.646 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000049204532 519814621 /nfs/dbraw/zinc/81/46/21/519814621.db2.gz OCADZSKAXZVZHP-GJZGRUSLSA-N 2 2 284.831 2.549 10 0 CFAELP CCC[NH2+]C[C@H](CC)[N@H+](C)Cc1cccc(OC)c1 ZINC000052372883 519931905 /nfs/dbraw/zinc/93/19/05/519931905.db2.gz DNLFNSOLKWPUDF-HNNXBMFYSA-N 2 2 264.413 2.905 10 0 CFAELP CCCOc1ccc([C@H](C[NH3+])[N@H+](CC)C2CC2)cc1 ZINC000052919939 520428800 /nfs/dbraw/zinc/42/88/00/520428800.db2.gz AEXVRXWTCVWBBV-INIZCTEOSA-N 2 2 262.397 2.960 10 0 CFAELP CCCOc1ccc([C@H](C[NH3+])[N@@H+](CC)C2CC2)cc1 ZINC000052919939 520428805 /nfs/dbraw/zinc/42/88/05/520428805.db2.gz AEXVRXWTCVWBBV-INIZCTEOSA-N 2 2 262.397 2.960 10 0 CFAELP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000049506898 520738015 /nfs/dbraw/zinc/73/80/15/520738015.db2.gz XGYDHTPNKLRLQK-GXTWGEPZSA-N 2 2 284.469 2.718 10 0 CFAELP CC[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)OC)CC1CC1 ZINC000069239689 521005240 /nfs/dbraw/zinc/00/52/40/521005240.db2.gz YRIQISDKXDTHNT-KRWDZBQOSA-N 2 2 296.455 2.572 10 0 CFAELP CC[N@@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)OC)CC1CC1 ZINC000069239689 521005244 /nfs/dbraw/zinc/00/52/44/521005244.db2.gz YRIQISDKXDTHNT-KRWDZBQOSA-N 2 2 296.455 2.572 10 0 CFAELP CC[N@H+](Cc1cc(C)ccc1OC)C(C)(C)C[NH3+] ZINC000050702861 521289484 /nfs/dbraw/zinc/28/94/84/521289484.db2.gz ZJJIDUXQGZQTKM-UHFFFAOYSA-N 2 2 250.386 2.563 10 0 CFAELP CC[N@@H+](Cc1cc(C)ccc1OC)C(C)(C)C[NH3+] ZINC000050702861 521289490 /nfs/dbraw/zinc/28/94/90/521289490.db2.gz ZJJIDUXQGZQTKM-UHFFFAOYSA-N 2 2 250.386 2.563 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000069430007 521308261 /nfs/dbraw/zinc/30/82/61/521308261.db2.gz CJAKZKXSKZGYGP-CYBMUJFWSA-N 2 2 280.412 2.824 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000069430007 521308269 /nfs/dbraw/zinc/30/82/69/521308269.db2.gz CJAKZKXSKZGYGP-CYBMUJFWSA-N 2 2 280.412 2.824 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000069430006 521310356 /nfs/dbraw/zinc/31/03/56/521310356.db2.gz CJAKZKXSKZGYGP-ZDUSSCGKSA-N 2 2 280.412 2.824 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000069430006 521310362 /nfs/dbraw/zinc/31/03/62/521310362.db2.gz CJAKZKXSKZGYGP-ZDUSSCGKSA-N 2 2 280.412 2.824 10 0 CFAELP CCOc1cccc([C@H](C[NH3+])[N@H+](CC)CC2CC2)c1 ZINC000069237582 521422408 /nfs/dbraw/zinc/42/24/08/521422408.db2.gz DBMPZUIBLULHKP-INIZCTEOSA-N 2 2 262.397 2.817 10 0 CFAELP CCOc1cccc([C@H](C[NH3+])[N@@H+](CC)CC2CC2)c1 ZINC000069237582 521422414 /nfs/dbraw/zinc/42/24/14/521422414.db2.gz DBMPZUIBLULHKP-INIZCTEOSA-N 2 2 262.397 2.817 10 0 CFAELP CCC[N@H+](C)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052444379 521500947 /nfs/dbraw/zinc/50/09/47/521500947.db2.gz VGYLJYFFOBPFIU-UHFFFAOYSA-N 2 2 255.431 2.873 10 0 CFAELP CCC[N@@H+](C)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052444379 521500951 /nfs/dbraw/zinc/50/09/51/521500951.db2.gz VGYLJYFFOBPFIU-UHFFFAOYSA-N 2 2 255.431 2.873 10 0 CFAELP CCCc1[nH+]c2ccccc2n1C[C@H]1CCC[NH2+]C1 ZINC000057865699 521544754 /nfs/dbraw/zinc/54/47/54/521544754.db2.gz HUXVEOVFARJYBQ-ZDUSSCGKSA-N 2 2 257.381 2.988 10 0 CFAELP CCOC1CC[NH+](CC[NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC000053389315 521655915 /nfs/dbraw/zinc/65/59/15/521655915.db2.gz YZXYIUSMYHPCPU-GJZGRUSLSA-N 2 2 268.445 2.656 10 0 CFAELP CCOC1CC[NH+]([C@@H](CC)C[NH2+]CC(C)C)CC1 ZINC000052483959 521656652 /nfs/dbraw/zinc/65/66/52/521656652.db2.gz OAGUZEQBMSJGED-AWEZNQCLSA-N 2 2 256.434 2.512 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@H+](CCOC)CC(C)C ZINC000052203791 521930180 /nfs/dbraw/zinc/93/01/80/521930180.db2.gz XHEREUHOEIGZIG-QGZVFWFLSA-N 2 2 278.440 2.853 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@@H+](CCOC)CC(C)C ZINC000052203791 521930185 /nfs/dbraw/zinc/93/01/85/521930185.db2.gz XHEREUHOEIGZIG-QGZVFWFLSA-N 2 2 278.440 2.853 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@H+](C)CCc1ccncc1 ZINC000052203608 521950922 /nfs/dbraw/zinc/95/09/22/521950922.db2.gz QKCJTXNCJZIZAH-SFHVURJKSA-N 2 2 283.419 2.818 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@@H+](C)CCc1ccncc1 ZINC000052203608 521950928 /nfs/dbraw/zinc/95/09/28/521950928.db2.gz QKCJTXNCJZIZAH-SFHVURJKSA-N 2 2 283.419 2.818 10 0 CFAELP C[NH2+]C1CC[NH+]([C@H](C)c2sc(C)nc2C)CC1 ZINC000049533873 521954751 /nfs/dbraw/zinc/95/47/51/521954751.db2.gz PSFRVPIFECKZAP-SNVBAGLBSA-N 2 2 253.415 2.505 10 0 CFAELP C[NH2+]Cc1occc1C[N@H+](Cc1ccco1)C1CC1 ZINC000052370856 522165349 /nfs/dbraw/zinc/16/53/49/522165349.db2.gz QNJIAEFFHYWQSI-UHFFFAOYSA-N 2 2 260.337 2.757 10 0 CFAELP C[NH2+]Cc1occc1C[N@@H+](Cc1ccco1)C1CC1 ZINC000052370856 522165356 /nfs/dbraw/zinc/16/53/56/522165356.db2.gz QNJIAEFFHYWQSI-UHFFFAOYSA-N 2 2 260.337 2.757 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191786400 522597776 /nfs/dbraw/zinc/59/77/76/522597776.db2.gz LBFUMMZVCHGTER-INIZCTEOSA-N 3 2 292.471 2.814 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000191786400 522597790 /nfs/dbraw/zinc/59/77/90/522597790.db2.gz LBFUMMZVCHGTER-INIZCTEOSA-N 3 2 292.471 2.814 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCCN(CCC[NH+](CC)CC)C1 ZINC000191786400 522597802 /nfs/dbraw/zinc/59/78/02/522597802.db2.gz LBFUMMZVCHGTER-INIZCTEOSA-N 2 2 292.471 2.814 10 0 CFAELP CC[C@H]([NH2+][C@@H](C)C[NH+]1CCCC1)c1ccc(O)cc1 ZINC000049149488 522687535 /nfs/dbraw/zinc/68/75/35/522687535.db2.gz RJLDAXLWMHZDJO-BBRMVZONSA-N 2 2 262.397 2.917 10 0 CFAELP CC[C@@H]([NH2+][C@H](C)C[NH+]1CCCC1)c1ccc(O)cc1 ZINC000049149491 522932088 /nfs/dbraw/zinc/93/20/88/522932088.db2.gz RJLDAXLWMHZDJO-CZUORRHYSA-N 2 2 262.397 2.917 10 0 CFAELP CCn1cc[nH+]c1Cn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000311907708 523546441 /nfs/dbraw/zinc/54/64/41/523546441.db2.gz QSHCUOKKECNZQM-VXGBXAGGSA-N 2 2 258.369 2.519 10 0 CFAELP C[N@H+](Cc1occc1C[NH2+]C(C)(C)C)C1CC[NH+](C)CC1 ZINC000052419818 523617005 /nfs/dbraw/zinc/61/70/05/523617005.db2.gz YLNUSXFSSLXIGR-UHFFFAOYSA-N 3 2 293.455 2.694 10 0 CFAELP C[N@@H+](Cc1occc1C[NH2+]C(C)(C)C)C1CC[NH+](C)CC1 ZINC000052419818 523617014 /nfs/dbraw/zinc/61/70/14/523617014.db2.gz YLNUSXFSSLXIGR-UHFFFAOYSA-N 3 2 293.455 2.694 10 0 CFAELP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000061627501 524510853 /nfs/dbraw/zinc/51/08/53/524510853.db2.gz ZMBTYMWYZLUSBT-LLVKDONJSA-N 2 2 272.314 2.889 10 0 CFAELP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000061627501 524510865 /nfs/dbraw/zinc/51/08/65/524510865.db2.gz ZMBTYMWYZLUSBT-LLVKDONJSA-N 2 2 272.314 2.889 10 0 CFAELP C[C@H]1C[NH+](Cc2ccc(C[NH2+]C(C)(C)C)o2)C[C@H](C)O1 ZINC000052380384 524618472 /nfs/dbraw/zinc/61/84/72/524618472.db2.gz ATLYBBTUEVIWLN-STQMWFEESA-N 2 2 280.412 2.777 10 0 CFAELP C[C@H](Cn1cc[nH+]c1)NC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000049236437 524792329 /nfs/dbraw/zinc/79/23/29/524792329.db2.gz YMDKEPQGLBIPMW-OCCSQVGLSA-N 2 2 286.404 2.705 10 0 CFAELP Cc1cc(C[C@@H](C)[NH3+])cc(C)c1OCCCn1cc[nH+]c1 ZINC000049328968 524819703 /nfs/dbraw/zinc/81/97/03/524819703.db2.gz LWNSOPYNQCEUKR-OAHLLOKOSA-N 2 2 287.407 2.859 10 0 CFAELP C[C@H]([NH3+])Cc1cc(Cl)ccc1OCCCn1cc[nH+]c1 ZINC000049328994 524833959 /nfs/dbraw/zinc/83/39/59/524833959.db2.gz UBLRAHMAXOLHRU-LBPRGKRZSA-N 2 2 293.798 2.895 10 0 CFAELP Cc1cc(F)ccc1[C@H](C[NH3+])[NH+]1CCC(C)CC1 ZINC000050578053 525007642 /nfs/dbraw/zinc/00/76/42/525007642.db2.gz TWUGMFMLXIWWLY-HNNXBMFYSA-N 2 2 250.361 2.866 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)[C@@H](C)C(C)C)cc1C ZINC000050596667 525180629 /nfs/dbraw/zinc/18/06/29/525180629.db2.gz UHZHQLNQGVFPGW-DZGCQCFKSA-N 2 2 264.413 2.980 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)[C@@H](C)C(C)C)cc1C ZINC000050596667 525180634 /nfs/dbraw/zinc/18/06/34/525180634.db2.gz UHZHQLNQGVFPGW-DZGCQCFKSA-N 2 2 264.413 2.980 10 0 CFAELP COc1ccc([C@H](C[NH3+])[NH+]2CCCCCC2)cc1C ZINC000050596427 525352160 /nfs/dbraw/zinc/35/21/60/525352160.db2.gz UZLYBFWBFNHZCH-HNNXBMFYSA-N 2 2 262.397 2.879 10 0 CFAELP C[C@@H]1[C@@H](C)CCC[N@@H+]1[C@@H](C[NH3+])c1ccccc1F ZINC000050563519 525644442 /nfs/dbraw/zinc/64/44/42/525644442.db2.gz GBEYESCOVTZLOM-ZOWXZIJZSA-N 2 2 250.361 2.946 10 0 CFAELP C[C@@H]1[C@@H](C)CCC[N@H+]1[C@@H](C[NH3+])c1ccccc1F ZINC000050563519 525644448 /nfs/dbraw/zinc/64/44/48/525644448.db2.gz GBEYESCOVTZLOM-ZOWXZIJZSA-N 2 2 250.361 2.946 10 0 CFAELP Cc1cc[nH+]c(N[C@H](C)CCC[NH3+])c1Br ZINC000235423690 525701560 /nfs/dbraw/zinc/70/15/60/525701560.db2.gz WYRZBUKVSSRCPC-SECBINFHSA-N 2 2 272.190 2.692 10 0 CFAELP C[C@H](c1ccc(F)c(Br)c1)[N@H+](C)CC[NH3+] ZINC000061689616 526056090 /nfs/dbraw/zinc/05/60/90/526056090.db2.gz JOWXDQBJXSUAMQ-MRVPVSSYSA-N 2 2 275.165 2.540 10 0 CFAELP C[C@H](c1ccc(F)c(Br)c1)[N@@H+](C)CC[NH3+] ZINC000061689616 526056098 /nfs/dbraw/zinc/05/60/98/526056098.db2.gz JOWXDQBJXSUAMQ-MRVPVSSYSA-N 2 2 275.165 2.540 10 0 CFAELP Cc1oc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C[NH2+]C(C)C ZINC000052380335 526773182 /nfs/dbraw/zinc/77/31/82/526773182.db2.gz DIKKXIWLTOWKHA-CHWSQXEVSA-N 2 2 280.412 2.695 10 0 CFAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000052476722 526774865 /nfs/dbraw/zinc/77/48/65/526774865.db2.gz ZRSZJUQTTMRDJL-STQMWFEESA-N 2 2 280.412 2.695 10 0 CFAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000052476722 526774869 /nfs/dbraw/zinc/77/48/69/526774869.db2.gz ZRSZJUQTTMRDJL-STQMWFEESA-N 2 2 280.412 2.695 10 0 CFAELP Cc1occc1C[N@@H+](C)[C@H](C[NH2+]C1CC1)C(C)C ZINC000052346446 526827442 /nfs/dbraw/zinc/82/74/42/526827442.db2.gz FCPCCYNWOMTKSH-OAHLLOKOSA-N 2 2 250.386 2.796 10 0 CFAELP Cc1occc1C[N@H+](C)[C@H](C[NH2+]C1CC1)C(C)C ZINC000052346446 526827444 /nfs/dbraw/zinc/82/74/44/526827444.db2.gz FCPCCYNWOMTKSH-OAHLLOKOSA-N 2 2 250.386 2.796 10 0 CFAELP Cc1nc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000360519834 527325574 /nfs/dbraw/zinc/32/55/74/527325574.db2.gz DXZRIMQWGRJUJU-KRWDZBQOSA-N 2 2 296.418 2.674 10 0 CFAELP Cc1nc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000360519834 527325579 /nfs/dbraw/zinc/32/55/79/527325579.db2.gz DXZRIMQWGRJUJU-KRWDZBQOSA-N 2 2 296.418 2.674 10 0 CFAELP Cc1nc(N[C@@H](CCC[NH3+])c2ccccc2)cc[nH+]1 ZINC000312124853 527350886 /nfs/dbraw/zinc/35/08/86/527350886.db2.gz YQGZMXHVMFVBDZ-AWEZNQCLSA-N 2 2 256.353 2.677 10 0 CFAELP Nc1cc(F)ccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000069399725 527454940 /nfs/dbraw/zinc/45/49/40/527454940.db2.gz TXLABQNVIQLBDR-UHFFFAOYSA-N 2 2 291.414 2.858 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1CC(OC(C)C)C1 ZINC000189532918 528501956 /nfs/dbraw/zinc/50/19/56/528501956.db2.gz NUAXSXUPBHXNEM-SHARSMKWSA-N 2 2 256.434 2.508 10 0 CFAELP CSc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000399192955 619089455 /nfs/dbraw/zinc/08/94/55/619089455.db2.gz QTYMDWXCTWJSRK-CYBMUJFWSA-N 2 2 294.464 2.516 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3F)C[C@H]12 ZINC000261557686 619170411 /nfs/dbraw/zinc/17/04/11/619170411.db2.gz CUCIQCVBDPKKHG-DUFXMDAXSA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3F)C[C@H]12 ZINC000261557686 619170413 /nfs/dbraw/zinc/17/04/13/619170413.db2.gz CUCIQCVBDPKKHG-DUFXMDAXSA-N 2 2 268.763 2.648 10 0 CFAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000133425627 646088621 /nfs/dbraw/zinc/08/86/21/646088621.db2.gz FNPCSHZKFGGCPK-XUJVJEKNSA-N 2 2 282.815 2.758 10 0 CFAELP Clc1ccc2c(C[N@@H+]3CCC[NH2+]CC3)c[nH]c2c1 ZINC000082622687 178136198 /nfs/dbraw/zinc/13/61/98/178136198.db2.gz DTNUSNFZTSMXOX-UHFFFAOYSA-N 2 2 263.772 2.617 10 0 CFAELP Clc1ccc2c(C[N@H+]3CCC[NH2+]CC3)c[nH]c2c1 ZINC000082622687 178136201 /nfs/dbraw/zinc/13/62/01/178136201.db2.gz DTNUSNFZTSMXOX-UHFFFAOYSA-N 2 2 263.772 2.617 10 0 CFAELP Cc1ccsc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151288531 232214849 /nfs/dbraw/zinc/21/48/49/232214849.db2.gz JFVXDQFOKHBDRU-UONOGXRCSA-N 2 2 282.453 2.554 10 0 CFAELP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccc(F)c1 ZINC000114029244 347770551 /nfs/dbraw/zinc/77/05/51/347770551.db2.gz ONXHCEMNMVLTOY-IAGOWNOFSA-N 2 2 270.351 2.752 10 0 CFAELP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cccc(F)c1 ZINC000114029244 347770557 /nfs/dbraw/zinc/77/05/57/347770557.db2.gz ONXHCEMNMVLTOY-IAGOWNOFSA-N 2 2 270.351 2.752 10 0 CFAELP Cc1csc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)CC2)n1 ZINC000086819163 179348852 /nfs/dbraw/zinc/34/88/52/179348852.db2.gz XIQATTDAZMOGBO-VXGBXAGGSA-N 2 2 253.415 2.586 10 0 CFAELP Cc1csc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)CC2)n1 ZINC000086819163 179348853 /nfs/dbraw/zinc/34/88/53/179348853.db2.gz XIQATTDAZMOGBO-VXGBXAGGSA-N 2 2 253.415 2.586 10 0 CFAELP CCC[N@@H+]1CCC[C@]([NH2+]C)(c2nc3c(s2)CCC3)CC1 ZINC000086851452 179358964 /nfs/dbraw/zinc/35/89/64/179358964.db2.gz AXDAUWCGALXWMY-MRXNPFEDSA-N 2 2 293.480 2.942 10 0 CFAELP CCC[N@H+]1CCC[C@]([NH2+]C)(c2nc3c(s2)CCC3)CC1 ZINC000086851452 179358967 /nfs/dbraw/zinc/35/89/67/179358967.db2.gz AXDAUWCGALXWMY-MRXNPFEDSA-N 2 2 293.480 2.942 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382445860 348529449 /nfs/dbraw/zinc/52/94/49/348529449.db2.gz AQYISAAJMBWHQY-JSGCOSHPSA-N 2 2 255.365 2.504 10 0 CFAELP CC[NH2+]C[C@@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000104449651 186005694 /nfs/dbraw/zinc/00/56/94/186005694.db2.gz SIWDTLNLBVQISS-ZDUSSCGKSA-N 2 2 252.427 2.755 10 0 CFAELP CC[NH2+]C[C@@H]1CCCC[N@H+]1CCc1cccs1 ZINC000104449651 186005695 /nfs/dbraw/zinc/00/56/95/186005695.db2.gz SIWDTLNLBVQISS-ZDUSSCGKSA-N 2 2 252.427 2.755 10 0 CFAELP C[N@H+](CC[NH3+])Cc1ccc(Oc2ccccc2)cc1 ZINC000107296186 186168531 /nfs/dbraw/zinc/16/85/31/186168531.db2.gz XBEKJQFXHGUWMC-UHFFFAOYSA-N 2 2 256.349 2.869 10 0 CFAELP C[N@@H+](CC[NH3+])Cc1ccc(Oc2ccccc2)cc1 ZINC000107296186 186168533 /nfs/dbraw/zinc/16/85/33/186168533.db2.gz XBEKJQFXHGUWMC-UHFFFAOYSA-N 2 2 256.349 2.869 10 0 CFAELP CCc1cc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)nc[nH+]1 ZINC000309761385 539806250 /nfs/dbraw/zinc/80/62/50/539806250.db2.gz YDCIGCWXBVIAIM-AWEZNQCLSA-N 2 2 284.407 2.971 10 0 CFAELP CCc1cc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)nc[nH+]1 ZINC000309761385 539806256 /nfs/dbraw/zinc/80/62/56/539806256.db2.gz YDCIGCWXBVIAIM-AWEZNQCLSA-N 2 2 284.407 2.971 10 0 CFAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1cccc2ccnnc21 ZINC000616623819 352387993 /nfs/dbraw/zinc/38/79/93/352387993.db2.gz ISJIZUFMMNRAMK-OAHLLOKOSA-N 2 2 270.380 2.506 10 0 CFAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1cccc2ccnnc21 ZINC000616623819 352387996 /nfs/dbraw/zinc/38/79/96/352387996.db2.gz ISJIZUFMMNRAMK-OAHLLOKOSA-N 2 2 270.380 2.506 10 0 CFAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nccs3)C2)[nH+]1 ZINC000135091873 187794556 /nfs/dbraw/zinc/79/45/56/187794556.db2.gz NQSAWZZARNYTOY-ZDUSSCGKSA-N 2 2 288.420 2.781 10 0 CFAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nccs3)C2)[nH+]1 ZINC000135091873 187794558 /nfs/dbraw/zinc/79/45/58/187794558.db2.gz NQSAWZZARNYTOY-ZDUSSCGKSA-N 2 2 288.420 2.781 10 0 CFAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1cccc(Br)c1 ZINC000250558653 540354907 /nfs/dbraw/zinc/35/49/07/540354907.db2.gz BUNHDTKIUGNABG-NEPJUHHUSA-N 2 2 269.186 2.543 10 0 CFAELP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1cccc(Br)c1 ZINC000250558653 540354909 /nfs/dbraw/zinc/35/49/09/540354909.db2.gz BUNHDTKIUGNABG-NEPJUHHUSA-N 2 2 269.186 2.543 10 0 CFAELP CCc1nc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1 ZINC000178286089 189102854 /nfs/dbraw/zinc/10/28/54/189102854.db2.gz ZFLBFXGFHQQDPK-AWEZNQCLSA-N 2 2 290.436 2.875 10 0 CFAELP CCc1nc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1 ZINC000178286089 189102855 /nfs/dbraw/zinc/10/28/55/189102855.db2.gz ZFLBFXGFHQQDPK-AWEZNQCLSA-N 2 2 290.436 2.875 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2cccc3cnccc32)C1 ZINC000061125436 540979206 /nfs/dbraw/zinc/97/92/06/540979206.db2.gz KNLCMTLIMRAANJ-INIZCTEOSA-N 2 2 269.392 2.809 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2cccc3cnccc32)C1 ZINC000061125436 540979207 /nfs/dbraw/zinc/97/92/07/540979207.db2.gz KNLCMTLIMRAANJ-INIZCTEOSA-N 2 2 269.392 2.809 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000182759832 189333828 /nfs/dbraw/zinc/33/38/28/189333828.db2.gz RDUGYRRCLFGFDW-KRWDZBQOSA-N 2 2 299.418 2.775 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000182759832 189333829 /nfs/dbraw/zinc/33/38/29/189333829.db2.gz RDUGYRRCLFGFDW-KRWDZBQOSA-N 2 2 299.418 2.775 10 0 CFAELP COc1ccc(OC)c([C@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000033417993 372492894 /nfs/dbraw/zinc/49/28/94/372492894.db2.gz KFBZPOPUHBSIAN-ZENOOKHLSA-N 2 2 292.423 2.682 10 0 CFAELP COc1ccc(OC)c([C@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000033417993 372492901 /nfs/dbraw/zinc/49/29/01/372492901.db2.gz KFBZPOPUHBSIAN-ZENOOKHLSA-N 2 2 292.423 2.682 10 0 CFAELP COc1cccc([C@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)c1OC ZINC000033431075 372494397 /nfs/dbraw/zinc/49/43/97/372494397.db2.gz BCKVVEZOMAAIEM-GUTXKFCHSA-N 2 2 292.423 2.682 10 0 CFAELP COc1cccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)c1OC ZINC000033431075 372494406 /nfs/dbraw/zinc/49/44/06/372494406.db2.gz BCKVVEZOMAAIEM-GUTXKFCHSA-N 2 2 292.423 2.682 10 0 CFAELP Cc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070456574 374181388 /nfs/dbraw/zinc/18/13/88/374181388.db2.gz NJIMLJKUZFDQLA-AWEZNQCLSA-N 2 2 286.354 2.755 10 0 CFAELP Cc1cc(NC2CC[NH2+]CC2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070451768 374177292 /nfs/dbraw/zinc/17/72/92/374177292.db2.gz PHJYXRDVVYIUAG-UHFFFAOYSA-N 2 2 286.354 2.755 10 0 CFAELP Cc1cc(N2CCC([NH3+])CC2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070451879 374177347 /nfs/dbraw/zinc/17/73/47/374177347.db2.gz LSKIAKQXDKGSJM-UHFFFAOYSA-N 2 2 286.354 2.519 10 0 CFAELP CCCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000070456373 374179643 /nfs/dbraw/zinc/17/96/43/374179643.db2.gz CAWOGUOJJARAAH-CYBMUJFWSA-N 2 2 276.428 2.964 10 0 CFAELP Cc1ncccc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812877 375158061 /nfs/dbraw/zinc/15/80/61/375158061.db2.gz VAYHVVYQXIYQAI-OAHLLOKOSA-N 2 2 282.391 2.719 10 0 CFAELP Cc1ncccc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812877 375158065 /nfs/dbraw/zinc/15/80/65/375158065.db2.gz VAYHVVYQXIYQAI-OAHLLOKOSA-N 2 2 282.391 2.719 10 0 CFAELP c1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000097976039 375588419 /nfs/dbraw/zinc/58/84/19/375588419.db2.gz BCXAOEQLKWKVHU-FUHWJXTLSA-N 2 2 270.420 2.790 10 0 CFAELP c1cc(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)no1 ZINC000679574923 542210535 /nfs/dbraw/zinc/21/05/35/542210535.db2.gz NNDGCWIAGFAUPT-JQHSSLGASA-N 2 2 297.402 2.675 10 0 CFAELP c1cc(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)no1 ZINC000679574923 542210538 /nfs/dbraw/zinc/21/05/38/542210538.db2.gz NNDGCWIAGFAUPT-JQHSSLGASA-N 2 2 297.402 2.675 10 0 CFAELP CC(C)n1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000172013280 379469961 /nfs/dbraw/zinc/46/99/61/379469961.db2.gz VOPKZRRNNUKCRG-HNNXBMFYSA-N 2 2 299.422 2.793 10 0 CFAELP CC(C)n1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000172013280 379469964 /nfs/dbraw/zinc/46/99/64/379469964.db2.gz VOPKZRRNNUKCRG-HNNXBMFYSA-N 2 2 299.422 2.793 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ncc(C)o2)C1 ZINC000173698618 379765446 /nfs/dbraw/zinc/76/54/46/379765446.db2.gz NFIXTGZAQFQTAH-ZDUSSCGKSA-N 2 2 274.368 2.579 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ncc(C)o2)C1 ZINC000173698618 379765450 /nfs/dbraw/zinc/76/54/50/379765450.db2.gz NFIXTGZAQFQTAH-ZDUSSCGKSA-N 2 2 274.368 2.579 10 0 CFAELP c1csc([C@@H]2CCCC[N@H+]2C[C@H]2CCC[NH2+]C2)n1 ZINC000335866111 380018228 /nfs/dbraw/zinc/01/82/28/380018228.db2.gz ZEANKGWJQUAFTL-STQMWFEESA-N 2 2 265.426 2.670 10 0 CFAELP c1csc([C@@H]2CCCC[N@@H+]2C[C@H]2CCC[NH2+]C2)n1 ZINC000335866111 380018235 /nfs/dbraw/zinc/01/82/35/380018235.db2.gz ZEANKGWJQUAFTL-STQMWFEESA-N 2 2 265.426 2.670 10 0 CFAELP CCC[C@@H](C)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000180095605 380618693 /nfs/dbraw/zinc/61/86/93/380618693.db2.gz YZBNIJJMFTVGHB-MRXNPFEDSA-N 2 2 292.471 2.716 10 0 CFAELP CCC[C@@H](C)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000180095605 380618696 /nfs/dbraw/zinc/61/86/96/380618696.db2.gz YZBNIJJMFTVGHB-MRXNPFEDSA-N 2 2 292.471 2.716 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCC(CSC)CC2)C1 ZINC000385715953 382575613 /nfs/dbraw/zinc/57/56/13/382575613.db2.gz RQYQWBORLSWCOZ-YMAMQOFZSA-N 2 2 270.486 2.982 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CCC(CSC)CC2)C1 ZINC000385715953 382575617 /nfs/dbraw/zinc/57/56/17/382575617.db2.gz RQYQWBORLSWCOZ-YMAMQOFZSA-N 2 2 270.486 2.982 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC000189343595 382595521 /nfs/dbraw/zinc/59/55/21/382595521.db2.gz UPQJSWFJWNERPZ-CQSZACIVSA-N 2 2 288.370 2.817 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000189343595 382595526 /nfs/dbraw/zinc/59/55/26/382595526.db2.gz UPQJSWFJWNERPZ-CQSZACIVSA-N 2 2 288.370 2.817 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000389284001 382612495 /nfs/dbraw/zinc/61/24/95/382612495.db2.gz VLJKUKCIEKRSSX-WDEREUQCSA-N 2 2 252.324 2.791 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000389284001 382612497 /nfs/dbraw/zinc/61/24/97/382612497.db2.gz VLJKUKCIEKRSSX-WDEREUQCSA-N 2 2 252.324 2.791 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000389283999 382612797 /nfs/dbraw/zinc/61/27/97/382612797.db2.gz VLJKUKCIEKRSSX-MNOVXSKESA-N 2 2 252.324 2.791 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000389283999 382612800 /nfs/dbraw/zinc/61/28/00/382612800.db2.gz VLJKUKCIEKRSSX-MNOVXSKESA-N 2 2 252.324 2.791 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccc(OC)cc2)C1 ZINC000389404482 382614682 /nfs/dbraw/zinc/61/46/82/382614682.db2.gz LNKPSPYLUOIVEU-ZBFHGGJFSA-N 2 2 276.424 2.700 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccc(OC)cc2)C1 ZINC000389404482 382614686 /nfs/dbraw/zinc/61/46/86/382614686.db2.gz LNKPSPYLUOIVEU-ZBFHGGJFSA-N 2 2 276.424 2.700 10 0 CFAELP CC[C@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)[C@@H]1CCOC1 ZINC000336829668 382726053 /nfs/dbraw/zinc/72/60/53/382726053.db2.gz INPSIMWYUCRZHN-IXDOHACOSA-N 2 2 276.424 2.694 10 0 CFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000195269762 382765476 /nfs/dbraw/zinc/76/54/76/382765476.db2.gz VPDILBABBRTBCB-INIZCTEOSA-N 2 2 273.424 2.778 10 0 CFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000195269762 382765479 /nfs/dbraw/zinc/76/54/79/382765479.db2.gz VPDILBABBRTBCB-INIZCTEOSA-N 2 2 273.424 2.778 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000195269762 382765481 /nfs/dbraw/zinc/76/54/81/382765481.db2.gz VPDILBABBRTBCB-INIZCTEOSA-N 2 2 273.424 2.778 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000195269762 382765483 /nfs/dbraw/zinc/76/54/83/382765483.db2.gz VPDILBABBRTBCB-INIZCTEOSA-N 2 2 273.424 2.778 10 0 CFAELP C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000220391674 382796232 /nfs/dbraw/zinc/79/62/32/382796232.db2.gz ZHRWLVWPIBPBFO-SNVBAGLBSA-N 2 2 272.314 2.535 10 0 CFAELP C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000220391674 382796235 /nfs/dbraw/zinc/79/62/35/382796235.db2.gz ZHRWLVWPIBPBFO-SNVBAGLBSA-N 2 2 272.314 2.535 10 0 CFAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cn2cc(C)ccc2[nH+]1 ZINC000246203142 383067334 /nfs/dbraw/zinc/06/73/34/383067334.db2.gz XYZBJGJYFARTSJ-SJORKVTESA-N 2 2 298.434 2.701 10 0 CFAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cn2cc(C)ccc2[nH+]1 ZINC000246203142 383067336 /nfs/dbraw/zinc/06/73/36/383067336.db2.gz XYZBJGJYFARTSJ-SJORKVTESA-N 2 2 298.434 2.701 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C)cc1 ZINC000246880427 383115649 /nfs/dbraw/zinc/11/56/49/383115649.db2.gz DMNLRFFUJLEVLT-ZWKOTPCHSA-N 2 2 299.418 2.698 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C)cc1 ZINC000246880427 383115654 /nfs/dbraw/zinc/11/56/54/383115654.db2.gz DMNLRFFUJLEVLT-ZWKOTPCHSA-N 2 2 299.418 2.698 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000248720305 383283708 /nfs/dbraw/zinc/28/37/08/383283708.db2.gz CFTMSKLWZMARBN-KKUMJFAQSA-N 2 2 268.445 2.652 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000248720305 383283716 /nfs/dbraw/zinc/28/37/16/383283716.db2.gz CFTMSKLWZMARBN-KKUMJFAQSA-N 2 2 268.445 2.652 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CCc2ccc(O)cc2)C1 ZINC000250398587 383375482 /nfs/dbraw/zinc/37/54/82/383375482.db2.gz YWUWGFWBJPTCLG-GDBMZVCRSA-N 2 2 276.424 2.787 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CCc2ccc(O)cc2)C1 ZINC000250398587 383375485 /nfs/dbraw/zinc/37/54/85/383375485.db2.gz YWUWGFWBJPTCLG-GDBMZVCRSA-N 2 2 276.424 2.787 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccco4)n3)C[C@@H]12 ZINC000261719506 383548497 /nfs/dbraw/zinc/54/84/97/383548497.db2.gz KEPNIMWNYFVSNW-RAIGVLPGSA-N 2 2 289.404 2.572 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4ccco4)n3)C[C@@H]12 ZINC000261719506 383548501 /nfs/dbraw/zinc/54/85/01/383548501.db2.gz KEPNIMWNYFVSNW-RAIGVLPGSA-N 2 2 289.404 2.572 10 0 CFAELP C[C@@H]1[C@H]([NH2+]C2CCC([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000261539080 383508033 /nfs/dbraw/zinc/50/80/33/383508033.db2.gz BMPKSIQQRTZZEJ-AGERRDQYSA-N 3 2 287.451 2.509 10 0 CFAELP C[C@@H]1[C@H]([NH2+]C2CCC([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000261539080 383508042 /nfs/dbraw/zinc/50/80/42/383508042.db2.gz BMPKSIQQRTZZEJ-AGERRDQYSA-N 3 2 287.451 2.509 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)s3)C[C@H]12 ZINC000261954096 383586159 /nfs/dbraw/zinc/58/61/59/383586159.db2.gz OKUQFCMQDCSMOR-DVVUODLYSA-N 2 2 290.354 2.936 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)s3)C[C@H]12 ZINC000261954096 383586163 /nfs/dbraw/zinc/58/61/63/383586163.db2.gz OKUQFCMQDCSMOR-DVVUODLYSA-N 2 2 290.354 2.936 10 0 CFAELP Cc1ccc(-c2ncc(C[N@H+]3C[C@H](C)[C@H]([NH3+])C3)s2)cc1 ZINC000261960333 383587723 /nfs/dbraw/zinc/58/77/23/383587723.db2.gz HGLNCWJHIRGCGN-SWLSCSKDSA-N 2 2 287.432 2.898 10 0 CFAELP Cc1ccc(-c2ncc(C[N@@H+]3C[C@H](C)[C@H]([NH3+])C3)s2)cc1 ZINC000261960333 383587727 /nfs/dbraw/zinc/58/77/27/383587727.db2.gz HGLNCWJHIRGCGN-SWLSCSKDSA-N 2 2 287.432 2.898 10 0 CFAELP C/C(=C\Cl)C[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000306887955 393510332 /nfs/dbraw/zinc/51/03/32/393510332.db2.gz VHJMABPTWRLIDI-JLHYYAGUSA-N 2 2 252.789 2.851 10 0 CFAELP C/C(=C\Cl)C[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000306887955 393510336 /nfs/dbraw/zinc/51/03/36/393510336.db2.gz VHJMABPTWRLIDI-JLHYYAGUSA-N 2 2 252.789 2.851 10 0 CFAELP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H]1CC2CCC1CC2 ZINC000381745746 393567024 /nfs/dbraw/zinc/56/70/24/393567024.db2.gz VDVIEYQIKBNTSP-VLSVSDDBSA-N 2 2 250.430 2.885 10 0 CFAELP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H]1CC2CCC1CC2 ZINC000381745746 393567031 /nfs/dbraw/zinc/56/70/31/393567031.db2.gz VDVIEYQIKBNTSP-VLSVSDDBSA-N 2 2 250.430 2.885 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c(cccc3OC)C2)C1 ZINC000192439953 393623528 /nfs/dbraw/zinc/62/35/28/393623528.db2.gz XDMNQMKDSCDHHA-HZPDHXFCSA-N 2 2 288.435 2.626 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c(cccc3OC)C2)C1 ZINC000192439953 393623531 /nfs/dbraw/zinc/62/35/31/393623531.db2.gz XDMNQMKDSCDHHA-HZPDHXFCSA-N 2 2 288.435 2.626 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C12CCC2 ZINC000088734952 393764541 /nfs/dbraw/zinc/76/45/41/393764541.db2.gz KBZKYVIYAWTIBW-XUWVNRHRSA-N 2 2 280.456 2.652 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C12CCC2 ZINC000088734952 393764542 /nfs/dbraw/zinc/76/45/42/393764542.db2.gz KBZKYVIYAWTIBW-XUWVNRHRSA-N 2 2 280.456 2.652 10 0 CFAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000344741003 393902850 /nfs/dbraw/zinc/90/28/50/393902850.db2.gz NEULLOXAZIRXFC-XVSSEFHLSA-N 2 2 278.362 2.895 10 0 CFAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000344741003 393902854 /nfs/dbraw/zinc/90/28/54/393902854.db2.gz NEULLOXAZIRXFC-XVSSEFHLSA-N 2 2 278.362 2.895 10 0 CFAELP CC[C@@H]1CN(c2ccc([NH+](C)C)cc2)[C@@H](CC)C[NH2+]1 ZINC000083449852 135022354 /nfs/dbraw/zinc/02/23/54/135022354.db2.gz XIGDQJKYGHWDOS-KGLIPLIRSA-N 2 2 261.413 2.719 10 0 CFAELP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH+](C)C)c2ccccc2)C[C@H](C)O1 ZINC000648406789 395129685 /nfs/dbraw/zinc/12/96/85/395129685.db2.gz IHMLWRFHKHIMEU-ABFRBSLYSA-N 2 2 276.424 2.835 10 0 CFAELP Fc1ccccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177100897 542998582 /nfs/dbraw/zinc/99/85/82/542998582.db2.gz SBJIWMKEQMMQKN-CQSZACIVSA-N 2 2 259.328 2.687 10 0 CFAELP Fc1ccccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177100897 542998584 /nfs/dbraw/zinc/99/85/84/542998584.db2.gz SBJIWMKEQMMQKN-CQSZACIVSA-N 2 2 259.328 2.687 10 0 CFAELP C=Cn1c(C[NH+]2CCOCC2)cc2c1[C@H](C)C[N@H+](C)[C@@H]2C ZINC000196223979 397612426 /nfs/dbraw/zinc/61/24/26/397612426.db2.gz QQAZTDNFDBEHRQ-ZIAGYGMSSA-N 2 2 289.423 2.531 10 0 CFAELP C=Cn1c(C[NH+]2CCOCC2)cc2c1[C@H](C)C[N@@H+](C)[C@@H]2C ZINC000196223979 397612430 /nfs/dbraw/zinc/61/24/30/397612430.db2.gz QQAZTDNFDBEHRQ-ZIAGYGMSSA-N 2 2 289.423 2.531 10 0 CFAELP C[C@@]1(C[N@@H+]2CCCC[C@@H]2c2nccs2)CC[NH2+]C1 ZINC000262035919 289164121 /nfs/dbraw/zinc/16/41/21/289164121.db2.gz OPFMKHQMVPGIIA-TZMCWYRMSA-N 2 2 265.426 2.670 10 0 CFAELP C[C@@]1(C[N@H+]2CCCC[C@@H]2c2nccs2)CC[NH2+]C1 ZINC000262035919 289164126 /nfs/dbraw/zinc/16/41/26/289164126.db2.gz OPFMKHQMVPGIIA-TZMCWYRMSA-N 2 2 265.426 2.670 10 0 CFAELP c1ccc([C@H](C[NH2+]CC2CCOCC2)[NH+]2CCCC2)cc1 ZINC000052175545 296618685 /nfs/dbraw/zinc/61/86/85/296618685.db2.gz WNCVZAXMPOBXGR-SFHVURJKSA-N 2 2 288.435 2.840 10 0 CFAELP C[N@@H+](Cc1cccc(F)c1)C[C@H]([NH3+])c1ccccc1 ZINC000020266821 171123435 /nfs/dbraw/zinc/12/34/35/171123435.db2.gz UPGDPYMPSHAAET-INIZCTEOSA-N 2 2 258.340 2.958 10 0 CFAELP C[N@H+](Cc1cccc(F)c1)C[C@H]([NH3+])c1ccccc1 ZINC000020266821 171123437 /nfs/dbraw/zinc/12/34/37/171123437.db2.gz UPGDPYMPSHAAET-INIZCTEOSA-N 2 2 258.340 2.958 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000022164762 171365327 /nfs/dbraw/zinc/36/53/27/171365327.db2.gz SRPKWSSMGNHETK-JSGCOSHPSA-N 2 2 278.396 2.578 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000022164762 171365328 /nfs/dbraw/zinc/36/53/28/171365328.db2.gz SRPKWSSMGNHETK-JSGCOSHPSA-N 2 2 278.396 2.578 10 0 CFAELP CC(C)[N@H+](C)[C@@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000022166169 171365847 /nfs/dbraw/zinc/36/58/47/171365847.db2.gz XZFXVHYVKQQCFM-LBPRGKRZSA-N 2 2 276.302 2.925 10 0 CFAELP CC(C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000022166169 171365848 /nfs/dbraw/zinc/36/58/48/171365848.db2.gz XZFXVHYVKQQCFM-LBPRGKRZSA-N 2 2 276.302 2.925 10 0 CFAELP CC[NH+](CC)[C@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000022219513 171377238 /nfs/dbraw/zinc/37/72/38/171377238.db2.gz MDFBKVRNXNPMBI-GFCCVEGCSA-N 2 2 276.302 2.927 10 0 CFAELP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)CO1 ZINC000657427831 413590782 /nfs/dbraw/zinc/59/07/82/413590782.db2.gz FHEDDZJTQWLMLM-USXIJHARSA-N 2 2 276.424 2.664 10 0 CFAELP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)CO1 ZINC000657427831 413590790 /nfs/dbraw/zinc/59/07/90/413590790.db2.gz FHEDDZJTQWLMLM-USXIJHARSA-N 2 2 276.424 2.664 10 0 CFAELP C[N@H+]([C@@H](C[NH3+])c1cccc(Cl)c1)[C@@H]1CCSC1 ZINC000037174504 173008269 /nfs/dbraw/zinc/00/82/69/173008269.db2.gz CFDVRVMJVGXYBL-OLZOCXBDSA-N 2 2 270.829 2.777 10 0 CFAELP C[N@@H+]([C@@H](C[NH3+])c1cccc(Cl)c1)[C@@H]1CCSC1 ZINC000037174504 173008271 /nfs/dbraw/zinc/00/82/71/173008271.db2.gz CFDVRVMJVGXYBL-OLZOCXBDSA-N 2 2 270.829 2.777 10 0 CFAELP CC[C@H](C)C[N@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363806 173153268 /nfs/dbraw/zinc/15/32/68/173153268.db2.gz RHEVQHLZDTYPRD-WFASDCNBSA-N 2 2 262.397 2.599 10 0 CFAELP CC[C@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363806 173153269 /nfs/dbraw/zinc/15/32/69/173153269.db2.gz RHEVQHLZDTYPRD-WFASDCNBSA-N 2 2 262.397 2.599 10 0 CFAELP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000037490941 173232673 /nfs/dbraw/zinc/23/26/73/173232673.db2.gz TXUMBVRYWZQCFQ-SQNIBIBYSA-N 2 2 290.451 2.963 10 0 CFAELP COC(C)(C)C[C@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028682 174017274 /nfs/dbraw/zinc/01/72/74/174017274.db2.gz HHIOLJDCHLBTNH-KBPBESRZSA-N 2 2 256.434 2.654 10 0 CFAELP Cc1cc(N(CC[NH3+])Cc2ccccc2)nc(C(C)C)[nH+]1 ZINC000038033141 174030567 /nfs/dbraw/zinc/03/05/67/174030567.db2.gz BOOLURIEZKSOIO-UHFFFAOYSA-N 2 2 284.407 2.874 10 0 CFAELP COc1ccc([C@@H]([NH2+]C[C@H](C)[NH+](C)C)C2CC2)cc1 ZINC000038087693 174099859 /nfs/dbraw/zinc/09/98/59/174099859.db2.gz YLNAJPYXEMSYNG-LRDDRELGSA-N 2 2 262.397 2.686 10 0 CFAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000038808994 174156702 /nfs/dbraw/zinc/15/67/02/174156702.db2.gz QWTWKJBJGJMSPP-CQSZACIVSA-N 2 2 280.412 2.826 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789074 174173083 /nfs/dbraw/zinc/17/30/83/174173083.db2.gz FQFQEZHWJABZNH-DVOMOZLQSA-N 2 2 262.397 2.958 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789074 174173084 /nfs/dbraw/zinc/17/30/84/174173084.db2.gz FQFQEZHWJABZNH-DVOMOZLQSA-N 2 2 262.397 2.958 10 0 CFAELP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1[nH+]ccn1C ZINC000040638866 174362892 /nfs/dbraw/zinc/36/28/92/174362892.db2.gz MXHROTBQIOKFTE-INIZCTEOSA-N 2 2 285.391 2.638 10 0 CFAELP Cc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2C)c(C)c1 ZINC000040638773 174362916 /nfs/dbraw/zinc/36/29/16/174362916.db2.gz HZOTWAIFMWAGPC-AWEZNQCLSA-N 2 2 257.381 2.930 10 0 CFAELP COc1ccc([C@H]([NH2+]CCc2[nH+]ccn2C)C2CC2)cc1 ZINC000040639211 174363715 /nfs/dbraw/zinc/36/37/15/174363715.db2.gz CRHDDISOEFCDBT-QGZVFWFLSA-N 2 2 285.391 2.712 10 0 CFAELP CCCC(C[NH3+])(CCC)[NH+]1CCC(OCC)CC1 ZINC000040689159 174375922 /nfs/dbraw/zinc/37/59/22/174375922.db2.gz VADOYIMJBKSCGL-UHFFFAOYSA-N 2 2 256.434 2.785 10 0 CFAELP CSc1ccc([C@H](C[NH3+])[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000040717349 174384896 /nfs/dbraw/zinc/38/48/96/174384896.db2.gz KJUNDHYYDDRVFE-RISCZKNCSA-N 2 2 250.411 2.750 10 0 CFAELP CSc1ccc([C@H](C[NH3+])[N@H+]2CC[C@@H](C)C2)cc1 ZINC000040717349 174384897 /nfs/dbraw/zinc/38/48/97/174384897.db2.gz KJUNDHYYDDRVFE-RISCZKNCSA-N 2 2 250.411 2.750 10 0 CFAELP CCN(c1[nH]c2ccccc2[nH+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748739 174394070 /nfs/dbraw/zinc/39/40/70/174394070.db2.gz XZYBWARXIBLFKI-FUNVUKJBSA-N 2 2 270.380 2.672 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)s1 ZINC000040749219 174394210 /nfs/dbraw/zinc/39/42/10/174394210.db2.gz YILLTHRSIVRPNM-PBINXNQUSA-N 2 2 256.802 2.856 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)s1 ZINC000040749219 174394211 /nfs/dbraw/zinc/39/42/11/174394211.db2.gz YILLTHRSIVRPNM-PBINXNQUSA-N 2 2 256.802 2.856 10 0 CFAELP Cc1cc([C@@H](C[NH3+])[NH+]2CCC(C[NH+](C)C)CC2)c(C)s1 ZINC000042392033 174706749 /nfs/dbraw/zinc/70/67/49/174706749.db2.gz BXJDPFXDOLGMGX-MRXNPFEDSA-N 3 2 295.496 2.638 10 0 CFAELP CCOC1CC[NH+]([C@H](c2ccc(OC)cc2)[C@@H](C)[NH3+])CC1 ZINC000042961369 174926627 /nfs/dbraw/zinc/92/66/27/174926627.db2.gz FKJQSAZYRJKLMX-DYVFJYSZSA-N 2 2 292.423 2.584 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)CCc1ccncc1 ZINC000043335418 175011583 /nfs/dbraw/zinc/01/15/83/175011583.db2.gz NUZHKNQPOBTYOD-ZBFHGGJFSA-N 2 2 273.380 2.628 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)CCc1ccncc1 ZINC000043335418 175011585 /nfs/dbraw/zinc/01/15/85/175011585.db2.gz NUZHKNQPOBTYOD-ZBFHGGJFSA-N 2 2 273.380 2.628 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[NH+]1CCC(CC)CC1 ZINC000043339932 175013633 /nfs/dbraw/zinc/01/36/33/175013633.db2.gz QHNMVMKXZIXVKB-HOCLYGCPSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[NH+]1CCC(CC)CC1 ZINC000043339928 175013758 /nfs/dbraw/zinc/01/37/58/175013758.db2.gz QHNMVMKXZIXVKB-ZBFHGGJFSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@H+](CC(C)C)C1CC1 ZINC000043340924 175014098 /nfs/dbraw/zinc/01/40/98/175014098.db2.gz ZMPKDWAPGFXUNC-GOEBONIOSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+](CC(C)C)C1CC1 ZINC000043340924 175014099 /nfs/dbraw/zinc/01/40/99/175014099.db2.gz ZMPKDWAPGFXUNC-GOEBONIOSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043345758 175016931 /nfs/dbraw/zinc/01/69/31/175016931.db2.gz CFQMXLDAZKEVSQ-CLWVCHIJSA-N 2 2 261.413 2.838 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043345758 175016932 /nfs/dbraw/zinc/01/69/32/175016932.db2.gz CFQMXLDAZKEVSQ-CLWVCHIJSA-N 2 2 261.413 2.838 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043348495 175018347 /nfs/dbraw/zinc/01/83/47/175018347.db2.gz RGRAFQVZOQTDEY-XKQJLSEDSA-N 2 2 291.439 2.607 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043348495 175018350 /nfs/dbraw/zinc/01/83/50/175018350.db2.gz RGRAFQVZOQTDEY-XKQJLSEDSA-N 2 2 291.439 2.607 10 0 CFAELP Cc1cc2[nH+]cn([C@H](C[NH3+])c3cccnc3)c2cc1C ZINC000043348810 175018637 /nfs/dbraw/zinc/01/86/37/175018637.db2.gz WNQYKBNJEAGEDQ-MRXNPFEDSA-N 2 2 266.348 2.596 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043353058 175020096 /nfs/dbraw/zinc/02/00/96/175020096.db2.gz UMUQPLLIYOJBAT-LQKXBSAESA-N 2 2 261.413 2.838 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043353058 175020097 /nfs/dbraw/zinc/02/00/97/175020097.db2.gz UMUQPLLIYOJBAT-LQKXBSAESA-N 2 2 261.413 2.838 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043353061 175020166 /nfs/dbraw/zinc/02/01/66/175020166.db2.gz UMUQPLLIYOJBAT-CLWVCHIJSA-N 2 2 261.413 2.838 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043353061 175020167 /nfs/dbraw/zinc/02/01/67/175020167.db2.gz UMUQPLLIYOJBAT-CLWVCHIJSA-N 2 2 261.413 2.838 10 0 CFAELP CCC(CC)[N@H+](CCOC)[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354727 175022245 /nfs/dbraw/zinc/02/22/45/175022245.db2.gz ZALQCBWEPYKGCA-CZUORRHYSA-N 2 2 279.428 2.607 10 0 CFAELP CCC(CC)[N@@H+](CCOC)[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354727 175022247 /nfs/dbraw/zinc/02/22/47/175022247.db2.gz ZALQCBWEPYKGCA-CZUORRHYSA-N 2 2 279.428 2.607 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1ccncc1)n1cc[nH+]c1-c1ccccc1 ZINC000043354992 175023001 /nfs/dbraw/zinc/02/30/01/175023001.db2.gz UMTPXVBEULCNBD-CJNGLKHVSA-N 2 2 278.359 2.882 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](C)CCc1ccccn1 ZINC000043363926 175024749 /nfs/dbraw/zinc/02/47/49/175024749.db2.gz RFRYZQXQUNXXLO-DOTOQJQBSA-N 2 2 287.407 2.936 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](C)CCc1ccccn1 ZINC000043363926 175024751 /nfs/dbraw/zinc/02/47/51/175024751.db2.gz RFRYZQXQUNXXLO-DOTOQJQBSA-N 2 2 287.407 2.936 10 0 CFAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@H+](C)CCc2ccncc2)o1 ZINC000043364523 175025354 /nfs/dbraw/zinc/02/53/54/175025354.db2.gz ACQSJHJUBZBSPM-BBRMVZONSA-N 2 2 273.380 2.546 10 0 CFAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@@H+](C)CCc2ccncc2)o1 ZINC000043364523 175025356 /nfs/dbraw/zinc/02/53/56/175025356.db2.gz ACQSJHJUBZBSPM-BBRMVZONSA-N 2 2 273.380 2.546 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](C)CCc1ccncc1 ZINC000043364525 175025420 /nfs/dbraw/zinc/02/54/20/175025420.db2.gz HXQMAXDFZQDJJO-WBVHZDCISA-N 2 2 287.407 2.936 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](C)CCc1ccncc1 ZINC000043364525 175025422 /nfs/dbraw/zinc/02/54/22/175025422.db2.gz HXQMAXDFZQDJJO-WBVHZDCISA-N 2 2 287.407 2.936 10 0 CFAELP CC[N@H+]([C@H](C[NH3+])c1ccc(Cl)c(F)c1)C1CC1 ZINC000043390232 175033734 /nfs/dbraw/zinc/03/37/34/175033734.db2.gz CKIZVUFFUNPLRH-CYBMUJFWSA-N 2 2 256.752 2.963 10 0 CFAELP CC[N@@H+]([C@H](C[NH3+])c1ccc(Cl)c(F)c1)C1CC1 ZINC000043390232 175033736 /nfs/dbraw/zinc/03/37/36/175033736.db2.gz CKIZVUFFUNPLRH-CYBMUJFWSA-N 2 2 256.752 2.963 10 0 CFAELP COc1c(C)c[nH+]c(CN(CCC[NH3+])CC(C)C)c1C ZINC000043417484 175038444 /nfs/dbraw/zinc/03/84/44/175038444.db2.gz VUJWKVQMNRVCIW-UHFFFAOYSA-N 2 2 279.428 2.514 10 0 CFAELP CCC[NH2+][C@@H](C[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000043807683 175109094 /nfs/dbraw/zinc/10/90/94/175109094.db2.gz VTEOPLHWPVHUHF-HNNXBMFYSA-N 2 2 290.407 2.594 10 0 CFAELP CCC[NH2+][C@@H](C[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000043807669 175109196 /nfs/dbraw/zinc/10/91/96/175109196.db2.gz QOJJPCKYVMKJBC-AWEZNQCLSA-N 2 2 276.380 2.552 10 0 CFAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)C1CCCCC1)OCCO2 ZINC000043815109 175111651 /nfs/dbraw/zinc/11/16/51/175111651.db2.gz NZTBKYHRDIMPFD-HZPDHXFCSA-N 2 2 296.455 2.525 10 0 CFAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)C1CCCCC1)OCCO2 ZINC000043815109 175111652 /nfs/dbraw/zinc/11/16/52/175111652.db2.gz NZTBKYHRDIMPFD-HZPDHXFCSA-N 2 2 296.455 2.525 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)Cc1cccnc1 ZINC000043893757 175118476 /nfs/dbraw/zinc/11/84/76/175118476.db2.gz IHBMPNKFHQWTDC-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cccnc1 ZINC000043893757 175118478 /nfs/dbraw/zinc/11/84/78/175118478.db2.gz IHBMPNKFHQWTDC-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+](C)Cc1ccccn1 ZINC000043894272 175119450 /nfs/dbraw/zinc/11/94/50/175119450.db2.gz GPPKUGIEYCNJPY-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+](C)Cc1ccccn1 ZINC000043894272 175119452 /nfs/dbraw/zinc/11/94/52/175119452.db2.gz GPPKUGIEYCNJPY-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@@H](CC)[C@@H](C)[NH+]1CCC(OCC)CC1 ZINC000043907574 175123480 /nfs/dbraw/zinc/12/34/80/175123480.db2.gz BIOODKMSIKJSLV-HIFRSBDPSA-N 2 2 256.434 2.654 10 0 CFAELP CC[NH2+][C@H]1CCC[C@H]1[N@H+](C)Cc1ccc(F)cc1 ZINC000043911209 175123643 /nfs/dbraw/zinc/12/36/43/175123643.db2.gz GVLMDTQTBVUCMH-LSDHHAIUSA-N 2 2 250.361 2.788 10 0 CFAELP CC[NH2+][C@H]1CCC[C@H]1[N@@H+](C)Cc1ccc(F)cc1 ZINC000043911209 175123644 /nfs/dbraw/zinc/12/36/44/175123644.db2.gz GVLMDTQTBVUCMH-LSDHHAIUSA-N 2 2 250.361 2.788 10 0 CFAELP C[NH2+][C@H](C[N@H+](C)Cc1cccc(OC)c1)C(C)(C)C ZINC000043911760 175123876 /nfs/dbraw/zinc/12/38/76/175123876.db2.gz IYLDIJCFSDJCAY-OAHLLOKOSA-N 2 2 264.413 2.761 10 0 CFAELP C[NH2+][C@H](C[N@@H+](C)Cc1cccc(OC)c1)C(C)(C)C ZINC000043911760 175123877 /nfs/dbraw/zinc/12/38/77/175123877.db2.gz IYLDIJCFSDJCAY-OAHLLOKOSA-N 2 2 264.413 2.761 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966062 175127025 /nfs/dbraw/zinc/12/70/25/175127025.db2.gz HLVQTNWLCIQZPZ-XHSDSOJGSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966062 175127026 /nfs/dbraw/zinc/12/70/26/175127026.db2.gz HLVQTNWLCIQZPZ-XHSDSOJGSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H](CC)[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966703 175127800 /nfs/dbraw/zinc/12/78/00/175127800.db2.gz VZGIHOPVCYKZSI-SOUVJXGZSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H](CC)[C@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966703 175127801 /nfs/dbraw/zinc/12/78/01/175127801.db2.gz VZGIHOPVCYKZSI-SOUVJXGZSA-N 2 2 256.434 2.654 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966561 175127909 /nfs/dbraw/zinc/12/79/09/175127909.db2.gz LXMJXGJWXILGJN-XHSDSOJGSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966561 175127910 /nfs/dbraw/zinc/12/79/10/175127910.db2.gz LXMJXGJWXILGJN-XHSDSOJGSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966565 175128068 /nfs/dbraw/zinc/12/80/68/175128068.db2.gz LXMJXGJWXILGJN-ARFHVFGLSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966565 175128069 /nfs/dbraw/zinc/12/80/69/175128069.db2.gz LXMJXGJWXILGJN-ARFHVFGLSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@H+](C)CC1CCCCC1 ZINC000043968303 175129494 /nfs/dbraw/zinc/12/94/94/175129494.db2.gz WVPRYCFAJJQGJN-CVEARBPZSA-N 2 2 268.445 2.656 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+](C)CC1CCCCC1 ZINC000043968303 175129496 /nfs/dbraw/zinc/12/94/96/175129496.db2.gz WVPRYCFAJJQGJN-CVEARBPZSA-N 2 2 268.445 2.656 10 0 CFAELP CC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)[N@H+](C)[C@@H](C)COC ZINC000043969257 175130461 /nfs/dbraw/zinc/13/04/61/175130461.db2.gz PPZBFJUCKHKPDS-JJRVBVJISA-N 2 2 294.439 2.701 10 0 CFAELP CC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)[N@@H+](C)[C@@H](C)COC ZINC000043969257 175130462 /nfs/dbraw/zinc/13/04/62/175130462.db2.gz PPZBFJUCKHKPDS-JJRVBVJISA-N 2 2 294.439 2.701 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043969912 175131244 /nfs/dbraw/zinc/13/12/44/175131244.db2.gz JLFLYDKUXMVQPR-CVEARBPZSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043969912 175131246 /nfs/dbraw/zinc/13/12/46/175131246.db2.gz JLFLYDKUXMVQPR-CVEARBPZSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)[C@@H](C)C(C)(C)C)OCCO2 ZINC000043979254 175133235 /nfs/dbraw/zinc/13/32/35/175133235.db2.gz IRTYKNPXRPAQGU-ZNMIVQPWSA-N 2 2 298.471 2.627 10 0 CFAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)[C@@H](C)C(C)(C)C)OCCO2 ZINC000043979254 175133236 /nfs/dbraw/zinc/13/32/36/175133236.db2.gz IRTYKNPXRPAQGU-ZNMIVQPWSA-N 2 2 298.471 2.627 10 0 CFAELP CCC[NH2+]CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000044380629 175169376 /nfs/dbraw/zinc/16/93/76/175169376.db2.gz RUNWMAJIEPEFAO-UHFFFAOYSA-N 2 2 260.425 2.941 10 0 CFAELP C[C@H](CC[NH2+][C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000044427722 175175249 /nfs/dbraw/zinc/17/52/49/175175249.db2.gz KEICOKKQOLDBAC-PBHICJAKSA-N 2 2 258.409 2.864 10 0 CFAELP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1c(F)cccc1F ZINC000044535393 175199091 /nfs/dbraw/zinc/19/90/91/175199091.db2.gz QWNSFZWAKWIPMZ-VXGBXAGGSA-N 2 2 268.351 2.957 10 0 CFAELP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1c(F)cccc1F ZINC000044535393 175199092 /nfs/dbraw/zinc/19/90/92/175199092.db2.gz QWNSFZWAKWIPMZ-VXGBXAGGSA-N 2 2 268.351 2.957 10 0 CFAELP Cc1ccc(SCC[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000044557383 175202652 /nfs/dbraw/zinc/20/26/52/175202652.db2.gz CIGGTWXUPTXPOW-CQSZACIVSA-N 2 2 264.438 2.900 10 0 CFAELP Cc1ccc(SCC[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000044557383 175202653 /nfs/dbraw/zinc/20/26/53/175202653.db2.gz CIGGTWXUPTXPOW-CQSZACIVSA-N 2 2 264.438 2.900 10 0 CFAELP Cc1cccc(OCCC[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044558598 175203331 /nfs/dbraw/zinc/20/33/31/175203331.db2.gz USQXMETYHPYBJU-OAHLLOKOSA-N 2 2 262.397 2.577 10 0 CFAELP Cc1cccc(OCCC[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044558598 175203332 /nfs/dbraw/zinc/20/33/32/175203332.db2.gz USQXMETYHPYBJU-OAHLLOKOSA-N 2 2 262.397 2.577 10 0 CFAELP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C)c1ccc(O)cc1 ZINC000044561759 175204640 /nfs/dbraw/zinc/20/46/40/175204640.db2.gz JPRZKGLUPJAQKV-HOCLYGCPSA-N 2 2 262.397 2.917 10 0 CFAELP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C)c1ccc(O)cc1 ZINC000044561759 175204642 /nfs/dbraw/zinc/20/46/42/175204642.db2.gz JPRZKGLUPJAQKV-HOCLYGCPSA-N 2 2 262.397 2.917 10 0 CFAELP Cc1cc(NC[C@H]2CCCC[N@@H+]2C)nc(C(C)C)[nH+]1 ZINC000044563292 175207079 /nfs/dbraw/zinc/20/70/79/175207079.db2.gz LIPXVJXIKAGKAN-CYBMUJFWSA-N 2 2 262.401 2.805 10 0 CFAELP Cc1cc(NC[C@H]2CCCC[N@H+]2C)nc(C(C)C)[nH+]1 ZINC000044563292 175207081 /nfs/dbraw/zinc/20/70/81/175207081.db2.gz LIPXVJXIKAGKAN-CYBMUJFWSA-N 2 2 262.401 2.805 10 0 CFAELP c1ccc([C@@H]2C[NH+]=C(N[C@H]3CC[N@@H+](C4CC4)C3)S2)cc1 ZINC000044726607 175238378 /nfs/dbraw/zinc/23/83/78/175238378.db2.gz STXKYCXZMBDYOX-ZFWWWQNUSA-N 2 2 287.432 2.657 10 0 CFAELP c1ccc([C@@H]2C[NH+]=C(N[C@H]3CC[N@H+](C4CC4)C3)S2)cc1 ZINC000044726607 175238379 /nfs/dbraw/zinc/23/83/79/175238379.db2.gz STXKYCXZMBDYOX-ZFWWWQNUSA-N 2 2 287.432 2.657 10 0 CFAELP [NH3+]C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067480 175300068 /nfs/dbraw/zinc/30/00/68/175300068.db2.gz LAANDCJTSXVZPQ-HZPDHXFCSA-N 2 2 259.397 2.736 10 0 CFAELP [NH3+]C[C@H](c1cccnc1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067480 175300069 /nfs/dbraw/zinc/30/00/69/175300069.db2.gz LAANDCJTSXVZPQ-HZPDHXFCSA-N 2 2 259.397 2.736 10 0 CFAELP O[C@H](C[NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000045107073 175308420 /nfs/dbraw/zinc/30/84/20/175308420.db2.gz PGSMTODUGYSPHE-OAHLLOKOSA-N 2 2 293.798 2.640 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@@H+]1CCC[C@@H]1CC)[NH2+]C1CC1 ZINC000045367571 175362837 /nfs/dbraw/zinc/36/28/37/175362837.db2.gz ZRKLKAFUTADCDH-RDJZCZTQSA-N 2 2 296.455 2.715 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@H+]1CCC[C@@H]1CC)[NH2+]C1CC1 ZINC000045367571 175362839 /nfs/dbraw/zinc/36/28/39/175362839.db2.gz ZRKLKAFUTADCDH-RDJZCZTQSA-N 2 2 296.455 2.715 10 0 CFAELP CCOC(=O)[C@](C)(CCC[NH+]1CCCCCCC1)[NH2+]C ZINC000045371574 175364494 /nfs/dbraw/zinc/36/44/94/175364494.db2.gz FOODXDBKQFJYCR-INIZCTEOSA-N 2 2 284.444 2.574 10 0 CFAELP CC[NH2+][C@](C)(CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373350 175364630 /nfs/dbraw/zinc/36/46/30/175364630.db2.gz CBMWHQMIHFBJDS-HLLBOEOZSA-N 2 2 298.471 2.676 10 0 CFAELP CC[NH2+][C@](C)(CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373350 175364632 /nfs/dbraw/zinc/36/46/32/175364632.db2.gz CBMWHQMIHFBJDS-HLLBOEOZSA-N 2 2 298.471 2.676 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[NH+]1CCCCC1)[NH2+]C1CC1 ZINC000045378288 175367635 /nfs/dbraw/zinc/36/76/35/175367635.db2.gz HFMATRNJEQYZRI-QGZVFWFLSA-N 2 2 296.455 2.716 10 0 CFAELP CCC[NH+](CCC)CCCC[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000045378555 175367704 /nfs/dbraw/zinc/36/77/04/175367704.db2.gz UVGCJXKBPZFFGE-KRWDZBQOSA-N 2 2 298.471 2.962 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@H+](CC)c1ccccc1)C(N)=O ZINC000045379893 175369390 /nfs/dbraw/zinc/36/93/90/175369390.db2.gz NRIBFIPKLXYPMC-KRWDZBQOSA-N 2 2 291.439 2.537 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@@H+](CC)c1ccccc1)C(N)=O ZINC000045379893 175369391 /nfs/dbraw/zinc/36/93/91/175369391.db2.gz NRIBFIPKLXYPMC-KRWDZBQOSA-N 2 2 291.439 2.537 10 0 CFAELP CC[NH2+][C@@](C)(CCC[N@@H+]1CCCC[C@@H]1CC)C(=O)OC ZINC000045384294 175370714 /nfs/dbraw/zinc/37/07/14/175370714.db2.gz MDTCOBZOIUAYQA-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CC[NH2+][C@@](C)(CCC[N@H+]1CCCC[C@@H]1CC)C(=O)OC ZINC000045384294 175370715 /nfs/dbraw/zinc/37/07/15/175370715.db2.gz MDTCOBZOIUAYQA-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[N@H+](CC)CCC[C@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045387152 175372791 /nfs/dbraw/zinc/37/27/91/175372791.db2.gz ZXIQAMMKDFWUJK-INIZCTEOSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[N@@H+](CC)CCC[C@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045387152 175372792 /nfs/dbraw/zinc/37/27/92/175372792.db2.gz ZXIQAMMKDFWUJK-INIZCTEOSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)[NH2+]C1CC1 ZINC000045393086 175375419 /nfs/dbraw/zinc/37/54/19/175375419.db2.gz ZBLCVEGPYDFAKV-SUMWQHHRSA-N 2 2 296.455 2.571 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)[NH2+]C1CC1 ZINC000045393086 175375420 /nfs/dbraw/zinc/37/54/20/175375420.db2.gz ZBLCVEGPYDFAKV-SUMWQHHRSA-N 2 2 296.455 2.571 10 0 CFAELP Cc1nc(NC2CC[NH2+]CC2)cc(-c2ccccc2)[nH+]1 ZINC000045950864 175388380 /nfs/dbraw/zinc/38/83/80/175388380.db2.gz MRMLQKYIYVYVHX-UHFFFAOYSA-N 2 2 268.364 2.616 10 0 CFAELP CC(C)c1cc(NC2CC[NH2+]CC2)nc(-c2ccncc2)[nH+]1 ZINC000070451731 175940055 /nfs/dbraw/zinc/94/00/55/175940055.db2.gz RFIYLDQTVIKFAR-UHFFFAOYSA-N 2 2 297.406 2.826 10 0 CFAELP C[N@H+](Cc1ccsc1)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267659 176101245 /nfs/dbraw/zinc/10/12/45/176101245.db2.gz WAJVZAPUMGXXNN-UHFFFAOYSA-N 2 2 277.368 2.803 10 0 CFAELP C[N@@H+](Cc1ccsc1)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267659 176101248 /nfs/dbraw/zinc/10/12/48/176101248.db2.gz WAJVZAPUMGXXNN-UHFFFAOYSA-N 2 2 277.368 2.803 10 0 CFAELP CC(C)COc1ccc([C@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000071594621 176217581 /nfs/dbraw/zinc/21/75/81/176217581.db2.gz ACPJQCLAMUKITN-INIZCTEOSA-N 2 2 262.397 2.817 10 0 CFAELP C([NH2+][C@H]1CCC[NH2+]CC1)C1([NH+]2CCCCC2)CCCCC1 ZINC000133561483 277722913 /nfs/dbraw/zinc/72/29/13/277722913.db2.gz QXMSILKXLXFUQH-KRWDZBQOSA-N 3 2 293.499 2.907 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000183789313 279133721 /nfs/dbraw/zinc/13/37/21/279133721.db2.gz JBRDHZAZILOKPJ-ZIAGYGMSSA-N 2 2 286.460 2.673 10 0 CFAELP Cc1cc[nH+]c(N[C@@H]2CCC[C@@H]2C[NH3+])c1Br ZINC000235944303 302278677 /nfs/dbraw/zinc/27/86/77/302278677.db2.gz WDAKEQBSQUGDPX-NXEZZACHSA-N 2 2 284.201 2.692 10 0 CFAELP CC(C)C[N@H+](CCC(N)=[NH2+])Cc1ccc(F)cc1F ZINC000050884959 519715158 /nfs/dbraw/zinc/71/51/58/519715158.db2.gz ILQZVSPJEJLZDO-UHFFFAOYSA-N 2 2 269.339 2.749 10 0 CFAELP CC(C)C[N@@H+](CCC(N)=[NH2+])Cc1ccc(F)cc1F ZINC000050884959 519715160 /nfs/dbraw/zinc/71/51/60/519715160.db2.gz ILQZVSPJEJLZDO-UHFFFAOYSA-N 2 2 269.339 2.749 10 0 CFAELP CCC[NH2+]C[C@H](C(C)C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543352 519929493 /nfs/dbraw/zinc/92/94/93/519929493.db2.gz ZYBVDVGNSFNVAM-UONOGXRCSA-N 2 2 256.434 2.510 10 0 CFAELP CCC[NH2+]C[C@H](C(C)C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543352 519929508 /nfs/dbraw/zinc/92/95/08/519929508.db2.gz ZYBVDVGNSFNVAM-UONOGXRCSA-N 2 2 256.434 2.510 10 0 CFAELP CC[N@H+](CC1CC1)[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000069237451 520967606 /nfs/dbraw/zinc/96/76/06/520967606.db2.gz DOMJBAUHUMVXKY-CYBMUJFWSA-N 2 2 272.314 2.836 10 0 CFAELP CC[N@@H+](CC1CC1)[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000069237451 520967622 /nfs/dbraw/zinc/96/76/22/520967622.db2.gz DOMJBAUHUMVXKY-CYBMUJFWSA-N 2 2 272.314 2.836 10 0 CFAELP CC(C)(C)[NH2+]Cc1ccoc1C[N@@H+]1CCOC(C)(C)C1 ZINC000052481782 518766583 /nfs/dbraw/zinc/76/65/83/518766583.db2.gz RDVNKHJZVOHFKN-UHFFFAOYSA-N 2 2 280.412 2.779 10 0 CFAELP CC(C)(C)[NH2+]Cc1ccoc1C[N@H+]1CCOC(C)(C)C1 ZINC000052481782 518766589 /nfs/dbraw/zinc/76/65/89/518766589.db2.gz RDVNKHJZVOHFKN-UHFFFAOYSA-N 2 2 280.412 2.779 10 0 CFAELP CC(C)[NH2+]CC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000052416638 519722217 /nfs/dbraw/zinc/72/22/17/519722217.db2.gz FWFHBGAWHHFORB-GFCCVEGCSA-N 2 2 252.427 2.883 10 0 CFAELP CC(C)[NH2+]CC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000052416638 519722219 /nfs/dbraw/zinc/72/22/19/519722219.db2.gz FWFHBGAWHHFORB-GFCCVEGCSA-N 2 2 252.427 2.883 10 0 CFAELP CC(C)C[NH2+]CC[N@H+](C)CCCOc1ccccc1 ZINC000061815958 519744001 /nfs/dbraw/zinc/74/40/01/519744001.db2.gz NJUMIEOMDPZNGO-UHFFFAOYSA-N 2 2 264.413 2.633 10 0 CFAELP CC(C)C[NH2+]CC[N@@H+](C)CCCOc1ccccc1 ZINC000061815958 519744003 /nfs/dbraw/zinc/74/40/03/519744003.db2.gz NJUMIEOMDPZNGO-UHFFFAOYSA-N 2 2 264.413 2.633 10 0 CFAELP CC(C)C[NH2+]Cc1occc1C[N@@H+]1CCOC(C)(C)C1 ZINC000052481915 519749327 /nfs/dbraw/zinc/74/93/27/519749327.db2.gz BZZVVQDZMRRYHJ-UHFFFAOYSA-N 2 2 280.412 2.636 10 0 CFAELP CC(C)C[NH2+]Cc1occc1C[N@H+]1CCOC(C)(C)C1 ZINC000052481915 519749329 /nfs/dbraw/zinc/74/93/29/519749329.db2.gz BZZVVQDZMRRYHJ-UHFFFAOYSA-N 2 2 280.412 2.636 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H]1CCc2c1cccc2O ZINC000049197851 519793963 /nfs/dbraw/zinc/79/39/63/519793963.db2.gz YAMNQQUJWYRZBO-LSDHHAIUSA-N 2 2 262.397 2.555 10 0 CFAELP CC(C)[C@H]1C[N@H+](Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000062624018 519826986 /nfs/dbraw/zinc/82/69/86/519826986.db2.gz QXSLBAIVLKQLRB-OAHLLOKOSA-N 2 2 250.361 2.646 10 0 CFAELP CC(C)[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000062624018 519826987 /nfs/dbraw/zinc/82/69/87/519826987.db2.gz QXSLBAIVLKQLRB-OAHLLOKOSA-N 2 2 250.361 2.646 10 0 CFAELP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)C[NH+]2CCCC2)CC1 ZINC000049150139 519847634 /nfs/dbraw/zinc/84/76/34/519847634.db2.gz CDZGWLUYLVZUST-HZPDHXFCSA-N 3 2 281.488 2.571 10 0 CFAELP CCCC1CC[NH+]([C@@H](c2ccncc2)[C@H](C)[NH3+])CC1 ZINC000050893108 519902880 /nfs/dbraw/zinc/90/28/80/519902880.db2.gz OANXJELCXHZMPL-XJKSGUPXSA-N 2 2 261.413 2.982 10 0 CFAELP CCC[NH2+]C[C@@H]1CCC[N@@H+]1CCCOc1ccccc1 ZINC000061815924 519922844 /nfs/dbraw/zinc/92/28/44/519922844.db2.gz QXWDHUMFBJPPQS-INIZCTEOSA-N 2 2 276.424 2.920 10 0 CFAELP CCC[NH2+]C[C@@H]1CCC[N@H+]1CCCOc1ccccc1 ZINC000061815924 519922848 /nfs/dbraw/zinc/92/28/48/519922848.db2.gz QXWDHUMFBJPPQS-INIZCTEOSA-N 2 2 276.424 2.920 10 0 CFAELP CC[NH2+]CC[C@H](C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443483 519927582 /nfs/dbraw/zinc/92/75/82/519927582.db2.gz JZZGFKRUFXATAY-AWEZNQCLSA-N 2 2 295.858 2.850 10 0 CFAELP CC[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2sccc2C1 ZINC000052382833 519932160 /nfs/dbraw/zinc/93/21/60/519932160.db2.gz FUSIQZBMTYZTMP-ZDUSSCGKSA-N 2 2 252.427 2.740 10 0 CFAELP CC[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2sccc2C1 ZINC000052382833 519932163 /nfs/dbraw/zinc/93/21/63/519932163.db2.gz FUSIQZBMTYZTMP-ZDUSSCGKSA-N 2 2 252.427 2.740 10 0 CFAELP CCC[NH2+]Cc1oc2ccccc2c1C[NH+]1CCOCC1 ZINC000052377784 519972589 /nfs/dbraw/zinc/97/25/89/519972589.db2.gz IKLICXBQSCJWOS-UHFFFAOYSA-N 2 2 288.391 2.765 10 0 CFAELP CC[NH2+]C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCSC1 ZINC000052453675 519976413 /nfs/dbraw/zinc/97/64/13/519976413.db2.gz HYZDXUZBQBBDID-HUUCEWRRSA-N 2 2 264.438 2.775 10 0 CFAELP CC[NH2+]C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCSC1 ZINC000052453675 519976419 /nfs/dbraw/zinc/97/64/19/519976419.db2.gz HYZDXUZBQBBDID-HUUCEWRRSA-N 2 2 264.438 2.775 10 0 CFAELP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)c1cc(C)sc1C ZINC000049506902 520738145 /nfs/dbraw/zinc/73/81/45/520738145.db2.gz XGYDHTPNKLRLQK-TZMCWYRMSA-N 2 2 284.469 2.718 10 0 CFAELP CC[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000069237443 520969417 /nfs/dbraw/zinc/96/94/17/520969417.db2.gz GGXCHRSZSGNIQO-OAHLLOKOSA-N 2 2 250.361 2.866 10 0 CFAELP CC[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000069237443 520969424 /nfs/dbraw/zinc/96/94/24/520969424.db2.gz GGXCHRSZSGNIQO-OAHLLOKOSA-N 2 2 250.361 2.866 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000157379351 521625347 /nfs/dbraw/zinc/62/53/47/521625347.db2.gz QROXGJNTWPLZAL-DZGCQCFKSA-N 2 2 264.388 2.831 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000157379351 521625353 /nfs/dbraw/zinc/62/53/53/521625353.db2.gz QROXGJNTWPLZAL-DZGCQCFKSA-N 2 2 264.388 2.831 10 0 CFAELP COc1c(C)c[nH+]c(C[C@@H](C(C)C)[C@@H](C)[NH3+])c1C ZINC000061686265 521814428 /nfs/dbraw/zinc/81/44/28/521814428.db2.gz JBDPUJFORRRPOT-OLZOCXBDSA-N 2 2 250.386 2.869 10 0 CFAELP CC[C@@H](C[NH2+]C1CC1)[N@H+](C)Cc1cccc(F)c1 ZINC000052425238 522545502 /nfs/dbraw/zinc/54/55/02/522545502.db2.gz MUMRLGKWIXCKJO-HNNXBMFYSA-N 2 2 250.361 2.788 10 0 CFAELP CC[C@@H](C[NH2+]C1CC1)[N@@H+](C)Cc1cccc(F)c1 ZINC000052425238 522545509 /nfs/dbraw/zinc/54/55/09/522545509.db2.gz MUMRLGKWIXCKJO-HNNXBMFYSA-N 2 2 250.361 2.788 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCSC)C1 ZINC000173698741 522599209 /nfs/dbraw/zinc/59/92/09/522599209.db2.gz VDYOCZRUFYXSTK-ZDUSSCGKSA-N 2 2 267.442 2.836 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCSC)C1 ZINC000173698741 522599213 /nfs/dbraw/zinc/59/92/13/522599213.db2.gz VDYOCZRUFYXSTK-ZDUSSCGKSA-N 2 2 267.442 2.836 10 0 CFAELP CC[C@@H]([NH3+])Cc1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000049328978 522642952 /nfs/dbraw/zinc/64/29/52/522642952.db2.gz JZKFACMPHNEJKN-OAHLLOKOSA-N 2 2 273.380 2.632 10 0 CFAELP COC1CC[NH+]([C@@]2(C[NH3+])CCC[C@H](C(F)(F)F)C2)CC1 ZINC000069383301 522707335 /nfs/dbraw/zinc/70/73/35/522707335.db2.gz UKAGXPPLSVXRRF-AAEUAGOBSA-N 2 2 294.361 2.547 10 0 CFAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052570737 523517926 /nfs/dbraw/zinc/51/79/26/523517926.db2.gz ALIUYDKDITYSTR-KFWWJZLASA-N 2 2 270.461 2.898 10 0 CFAELP CC[C@@H]1CO[C@H](C)C[N@H+]1[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052570737 523517930 /nfs/dbraw/zinc/51/79/30/523517930.db2.gz ALIUYDKDITYSTR-KFWWJZLASA-N 2 2 270.461 2.898 10 0 CFAELP CCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccncc2)[nH+]1 ZINC000070456265 523822148 /nfs/dbraw/zinc/82/21/48/523822148.db2.gz UBZXGUZRTCJABS-CYBMUJFWSA-N 2 2 297.406 2.513 10 0 CFAELP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCC2)cc1 ZINC000049150228 524138810 /nfs/dbraw/zinc/13/88/10/524138810.db2.gz JXBBQRNCPDYALA-HUUCEWRRSA-N 2 2 276.424 2.700 10 0 CFAELP COc1cccc([C@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)c1 ZINC000049195876 524156233 /nfs/dbraw/zinc/15/62/33/524156233.db2.gz YHOJMMZWTRDYDH-BBRMVZONSA-N 2 2 264.413 2.932 10 0 CFAELP Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000227199190 524175519 /nfs/dbraw/zinc/17/55/19/524175519.db2.gz PBURDBWTVWRAGC-GDBMZVCRSA-N 2 2 276.424 2.741 10 0 CFAELP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000227199190 524175528 /nfs/dbraw/zinc/17/55/28/524175528.db2.gz PBURDBWTVWRAGC-GDBMZVCRSA-N 2 2 276.424 2.741 10 0 CFAELP C[C@@H](CC[NH2+]C(C)(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417355 524499007 /nfs/dbraw/zinc/49/90/07/524499007.db2.gz XJGDUYQAERVCSZ-INIZCTEOSA-N 2 2 289.467 2.975 10 0 CFAELP Cc1cc(C[N@@H+]2CCO[C@@H](C)C2)oc1C[NH2+]C(C)(C)C ZINC000052382816 524698235 /nfs/dbraw/zinc/69/82/35/524698235.db2.gz OVCDWEZNIOSLLL-ZDUSSCGKSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1cc(C[N@H+]2CCO[C@@H](C)C2)oc1C[NH2+]C(C)(C)C ZINC000052382816 524698243 /nfs/dbraw/zinc/69/82/43/524698243.db2.gz OVCDWEZNIOSLLL-ZDUSSCGKSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1cc(C[N@H+]2CCOC[C@@H]2C)oc1C[NH2+]C(C)(C)C ZINC000052476178 524700060 /nfs/dbraw/zinc/70/00/60/524700060.db2.gz ONRNRZWAKJWUJL-ZDUSSCGKSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1cc(C[N@@H+]2CCOC[C@@H]2C)oc1C[NH2+]C(C)(C)C ZINC000052476178 524700069 /nfs/dbraw/zinc/70/00/69/524700069.db2.gz ONRNRZWAKJWUJL-ZDUSSCGKSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@H+](C)CCc1ccncc1 ZINC000050578684 525009586 /nfs/dbraw/zinc/00/95/86/525009586.db2.gz ZUUCDWOOOAHHPT-KRWDZBQOSA-N 2 2 287.382 2.703 10 0 CFAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@@H+](C)CCc1ccncc1 ZINC000050578684 525009593 /nfs/dbraw/zinc/00/95/93/525009593.db2.gz ZUUCDWOOOAHHPT-KRWDZBQOSA-N 2 2 287.382 2.703 10 0 CFAELP Cc1cc(N[C@@H](C[NH+](C)C)C(C)C)nc(C(C)C)[nH+]1 ZINC000049218572 525295334 /nfs/dbraw/zinc/29/53/34/525295334.db2.gz UCCJKYLJXNXQKD-ZDUSSCGKSA-N 2 2 264.417 2.907 10 0 CFAELP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)s1 ZINC000311086206 525406709 /nfs/dbraw/zinc/40/67/09/525406709.db2.gz XSPYEJAEIOJVOV-ONGXEEELSA-N 2 2 288.844 2.507 10 0 CFAELP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)s1 ZINC000311086206 525406719 /nfs/dbraw/zinc/40/67/19/525406719.db2.gz XSPYEJAEIOJVOV-ONGXEEELSA-N 2 2 288.844 2.507 10 0 CFAELP CSC[C@@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000069434785 525624396 /nfs/dbraw/zinc/62/43/96/525624396.db2.gz UADDOCHYCWCERW-HOCLYGCPSA-N 2 2 278.465 2.850 10 0 CFAELP CSC[C@@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000069434785 525624401 /nfs/dbraw/zinc/62/44/01/525624401.db2.gz UADDOCHYCWCERW-HOCLYGCPSA-N 2 2 278.465 2.850 10 0 CFAELP Cc1c(C)n([C@H](C)C[NH+]2CCCCC2)c2nc[nH+]c(N)c12 ZINC000049502411 525687412 /nfs/dbraw/zinc/68/74/12/525687412.db2.gz MWXKGSJFYXJPMP-LLVKDONJSA-N 2 2 287.411 2.677 10 0 CFAELP COc1cccc(C[N@H+](C)[C@@H](C)C[NH2+]CC(C)C)c1 ZINC000052372877 525917493 /nfs/dbraw/zinc/91/74/93/525917493.db2.gz SLQNEDIOYDAIPQ-AWEZNQCLSA-N 2 2 264.413 2.761 10 0 CFAELP COc1cccc(C[N@@H+](C)[C@@H](C)C[NH2+]CC(C)C)c1 ZINC000052372877 525917504 /nfs/dbraw/zinc/91/75/04/525917504.db2.gz SLQNEDIOYDAIPQ-AWEZNQCLSA-N 2 2 264.413 2.761 10 0 CFAELP Cc1cn[nH]c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000365653788 526032174 /nfs/dbraw/zinc/03/21/74/526032174.db2.gz FWLVGLAYIJADSM-SJLPKXTDSA-N 2 2 298.434 2.891 10 0 CFAELP Cc1cn[nH]c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000365653788 526032185 /nfs/dbraw/zinc/03/21/85/526032185.db2.gz FWLVGLAYIJADSM-SJLPKXTDSA-N 2 2 298.434 2.891 10 0 CFAELP Cc1c[nH]nc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000365653788 526032196 /nfs/dbraw/zinc/03/21/96/526032196.db2.gz FWLVGLAYIJADSM-SJLPKXTDSA-N 2 2 298.434 2.891 10 0 CFAELP Cc1c[nH]nc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000365653788 526032207 /nfs/dbraw/zinc/03/22/07/526032207.db2.gz FWLVGLAYIJADSM-SJLPKXTDSA-N 2 2 298.434 2.891 10 0 CFAELP O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000077204166 526303735 /nfs/dbraw/zinc/30/37/35/526303735.db2.gz RVDCUHDOQZLNMO-RDJZCZTQSA-N 2 2 285.391 2.513 10 0 CFAELP c1cn(CCC[NH2+][C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c[nH+]1 ZINC000216280472 526532954 /nfs/dbraw/zinc/53/29/54/526532954.db2.gz JUDPQVXHUFZLGO-YIDVYQOGSA-N 2 2 259.397 2.688 10 0 CFAELP c1cn(CCC[NH2+][C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c[nH+]1 ZINC000216280521 526533454 /nfs/dbraw/zinc/53/34/54/526533454.db2.gz JUDPQVXHUFZLGO-JKJDWNRSSA-N 2 2 259.397 2.688 10 0 CFAELP Cc1oc(C[N@H+]2CCOC(C)(C)C2)cc1C[NH2+]C(C)C ZINC000052481787 526771152 /nfs/dbraw/zinc/77/11/52/526771152.db2.gz XNAIUCJUFFADCG-UHFFFAOYSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1oc(C[N@@H+]2CCOC(C)(C)C2)cc1C[NH2+]C(C)C ZINC000052481787 526771147 /nfs/dbraw/zinc/77/11/47/526771147.db2.gz XNAIUCJUFFADCG-UHFFFAOYSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1oc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1C[NH2+]CC(C)C ZINC000052476402 526773452 /nfs/dbraw/zinc/77/34/52/526773452.db2.gz ZLPYRXLHUGSQPW-UONOGXRCSA-N 2 2 294.439 2.943 10 0 CFAELP Cc1oc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1C[NH2+]CC(C)C ZINC000052476402 526773456 /nfs/dbraw/zinc/77/34/56/526773456.db2.gz ZLPYRXLHUGSQPW-UONOGXRCSA-N 2 2 294.439 2.943 10 0 CFAELP [NH3+]CCc1cc(Cl)ccc1OCCCn1cc[nH+]c1 ZINC000049328949 527195331 /nfs/dbraw/zinc/19/53/31/527195331.db2.gz HZPMAHWPLHXIQW-UHFFFAOYSA-N 2 2 279.771 2.507 10 0 CFAELP c1cc(C[NH2+]C2[C@@H]3C[C@H]2C[N@@H+](Cc2ccccc2)C3)co1 ZINC000399635137 619147748 /nfs/dbraw/zinc/14/77/48/619147748.db2.gz WCSWYLPUXCYJGS-JWTNVVGKSA-N 2 2 282.387 2.890 10 0 CFAELP c1cc(C[NH2+]C2[C@@H]3C[C@H]2C[N@H+](Cc2ccccc2)C3)co1 ZINC000399635137 619147750 /nfs/dbraw/zinc/14/77/50/619147750.db2.gz WCSWYLPUXCYJGS-JWTNVVGKSA-N 2 2 282.387 2.890 10 0 CFAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000133425225 646088564 /nfs/dbraw/zinc/08/85/64/646088564.db2.gz FNPCSHZKFGGCPK-TYNCELHUSA-N 2 2 282.815 2.758 10 0 CFAELP C[C@H]([NH3+])c1c[nH+]c(Cc2ccccc2Br)[nH]1 ZINC000096978549 185145590 /nfs/dbraw/zinc/14/55/90/185145590.db2.gz CVBIJSOSCSCPPI-QMMMGPOBSA-N 2 2 280.169 2.783 10 0 CFAELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC000113267008 347766119 /nfs/dbraw/zinc/76/61/19/347766119.db2.gz YSOAIEAPCFWBNC-QGZVFWFLSA-N 2 2 276.424 2.620 10 0 CFAELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC000113267008 347766123 /nfs/dbraw/zinc/76/61/23/347766123.db2.gz YSOAIEAPCFWBNC-QGZVFWFLSA-N 2 2 276.424 2.620 10 0 CFAELP CCN(CC)c1ccc(N[C@@H]2CCC[N@H+](C)CC2)c[nH+]1 ZINC000086817947 179345918 /nfs/dbraw/zinc/34/59/18/179345918.db2.gz ZBMVFTOIOCWLGT-CQSZACIVSA-N 2 2 276.428 2.824 10 0 CFAELP CCN(CC)c1ccc(N[C@@H]2CCC[N@@H+](C)CC2)c[nH+]1 ZINC000086817947 179345919 /nfs/dbraw/zinc/34/59/19/179345919.db2.gz ZBMVFTOIOCWLGT-CQSZACIVSA-N 2 2 276.428 2.824 10 0 CFAELP [NH3+][C@]12Cc3ccccc3[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000225840948 348180340 /nfs/dbraw/zinc/18/03/40/348180340.db2.gz DDVSAHGGRSVPRQ-ROUUACIJSA-N 2 2 264.372 2.540 10 0 CFAELP [NH3+][C@]12Cc3ccccc3[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000225840948 348180343 /nfs/dbraw/zinc/18/03/43/348180343.db2.gz DDVSAHGGRSVPRQ-ROUUACIJSA-N 2 2 264.372 2.540 10 0 CFAELP CCCC[C@](C=C=C(C)C)(CC)C[NH2+]CC[NH2+]CCO ZINC000584602909 348686471 /nfs/dbraw/zinc/68/64/71/348686471.db2.gz CVLPAMDPFWKSFJ-KRWDZBQOSA-N 2 2 282.472 2.866 10 0 CFAELP [NH3+][C@@]12Cc3ccccc3[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000584605729 348687821 /nfs/dbraw/zinc/68/78/21/348687821.db2.gz DDVSAHGGRSVPRQ-ZWKOTPCHSA-N 2 2 264.372 2.540 10 0 CFAELP [NH3+][C@@]12Cc3ccccc3[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000584605729 348687824 /nfs/dbraw/zinc/68/78/24/348687824.db2.gz DDVSAHGGRSVPRQ-ZWKOTPCHSA-N 2 2 264.372 2.540 10 0 CFAELP C[C@H](CCN(C)[NH3+])Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000584637525 348698731 /nfs/dbraw/zinc/69/87/31/348698731.db2.gz WSKVDPIBIOTPEU-SNVBAGLBSA-N 2 2 278.787 2.884 10 0 CFAELP CC(C)([C@@H]([NH3+])c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000091533944 180181627 /nfs/dbraw/zinc/18/16/27/180181627.db2.gz WJXRTQWHUVATOZ-ZDUSSCGKSA-N 2 2 254.324 2.839 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000105922583 186091022 /nfs/dbraw/zinc/09/10/22/186091022.db2.gz AWVWMVNYKHEKHP-INIZCTEOSA-N 2 2 284.407 2.720 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2ccccn2)C1 ZINC000105922583 186091024 /nfs/dbraw/zinc/09/10/24/186091024.db2.gz AWVWMVNYKHEKHP-INIZCTEOSA-N 2 2 284.407 2.720 10 0 CFAELP Nc1[nH+]cccc1[C@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616594807 352377971 /nfs/dbraw/zinc/37/79/71/352377971.db2.gz RIPKJONVBBOUGK-MRXNPFEDSA-N 2 2 283.375 2.627 10 0 CFAELP Nc1[nH+]cccc1[C@H]1CC[N@@H+](Cc2ccccc2)CCO1 ZINC000616594807 352377973 /nfs/dbraw/zinc/37/79/73/352377973.db2.gz RIPKJONVBBOUGK-MRXNPFEDSA-N 2 2 283.375 2.627 10 0 CFAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1ccc2ccnnc2c1 ZINC000616624628 352389060 /nfs/dbraw/zinc/38/90/60/352389060.db2.gz DIRZKKHONSGWLJ-INIZCTEOSA-N 2 2 270.380 2.506 10 0 CFAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1ccc2ccnnc2c1 ZINC000616624628 352389063 /nfs/dbraw/zinc/38/90/63/352389063.db2.gz DIRZKKHONSGWLJ-INIZCTEOSA-N 2 2 270.380 2.506 10 0 CFAELP CC(C)[N@H+]1C[C@H]([NH2+]CC2=Cc3ccccc3OC2)[C@@H](C)C1 ZINC000154078440 188121520 /nfs/dbraw/zinc/12/15/20/188121520.db2.gz JDLVSMIWPSODEG-YOEHRIQHSA-N 2 2 286.419 2.781 10 0 CFAELP CC(C)[N@@H+]1C[C@H]([NH2+]CC2=Cc3ccccc3OC2)[C@@H](C)C1 ZINC000154078440 188121522 /nfs/dbraw/zinc/12/15/22/188121522.db2.gz JDLVSMIWPSODEG-YOEHRIQHSA-N 2 2 286.419 2.781 10 0 CFAELP Cc1cccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)[nH+]1 ZINC000157332027 188311191 /nfs/dbraw/zinc/31/11/91/188311191.db2.gz AQVWOPKXQFIFBS-AWEZNQCLSA-N 2 2 268.364 2.723 10 0 CFAELP CCC[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000624557788 353906277 /nfs/dbraw/zinc/90/62/77/353906277.db2.gz WISLCHDEZCXITC-DOTOQJQBSA-N 2 2 278.440 2.600 10 0 CFAELP CCC[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000624557788 353906281 /nfs/dbraw/zinc/90/62/81/353906281.db2.gz WISLCHDEZCXITC-DOTOQJQBSA-N 2 2 278.440 2.600 10 0 CFAELP CCC[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000624557788 353906283 /nfs/dbraw/zinc/90/62/83/353906283.db2.gz WISLCHDEZCXITC-DOTOQJQBSA-N 2 2 278.440 2.600 10 0 CFAELP CCC[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000624557788 353906287 /nfs/dbraw/zinc/90/62/87/353906287.db2.gz WISLCHDEZCXITC-DOTOQJQBSA-N 2 2 278.440 2.600 10 0 CFAELP Fc1ccccc1[C@@]1(F)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261763225 283030918 /nfs/dbraw/zinc/03/09/18/283030918.db2.gz MNUAWILFFOJNQY-XJKSGUPXSA-N 2 2 280.362 2.696 10 0 CFAELP Fc1ccccc1[C@@]1(F)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261763225 283030921 /nfs/dbraw/zinc/03/09/21/283030921.db2.gz MNUAWILFFOJNQY-XJKSGUPXSA-N 2 2 280.362 2.696 10 0 CFAELP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631841306 355603147 /nfs/dbraw/zinc/60/31/47/355603147.db2.gz IYKSBJYEEAERSD-CMPLNLGQSA-N 2 2 291.420 2.738 10 0 CFAELP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631841306 355603149 /nfs/dbraw/zinc/60/31/49/355603149.db2.gz IYKSBJYEEAERSD-CMPLNLGQSA-N 2 2 291.420 2.738 10 0 CFAELP C[C@H]1C[N@H+](Cc2ccc(Br)s2)C[C@@H]1C[NH3+] ZINC000631841710 355604061 /nfs/dbraw/zinc/60/40/61/355604061.db2.gz ORWBDAFPIRVQCI-IUCAKERBSA-N 2 2 289.242 2.537 10 0 CFAELP C[C@H]1C[N@@H+](Cc2ccc(Br)s2)C[C@@H]1C[NH3+] ZINC000631841710 355604063 /nfs/dbraw/zinc/60/40/63/355604063.db2.gz ORWBDAFPIRVQCI-IUCAKERBSA-N 2 2 289.242 2.537 10 0 CFAELP CCC[N@H+](C[C@H]1CCCC(F)(F)C1)[C@@H]1CC[NH2+]C1 ZINC000261551954 283284633 /nfs/dbraw/zinc/28/46/33/283284633.db2.gz DYPODKRUWRWLMK-QWHCGFSZSA-N 2 2 260.372 2.886 10 0 CFAELP CCC[N@@H+](C[C@H]1CCCC(F)(F)C1)[C@@H]1CC[NH2+]C1 ZINC000261551954 283284639 /nfs/dbraw/zinc/28/46/39/283284639.db2.gz DYPODKRUWRWLMK-QWHCGFSZSA-N 2 2 260.372 2.886 10 0 CFAELP Cc1cnn([C@H]2CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000180140419 189239233 /nfs/dbraw/zinc/23/92/33/189239233.db2.gz JXFYBRPTBORASS-INIZCTEOSA-N 2 2 295.390 2.676 10 0 CFAELP Cc1cnn([C@H]2CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000180140419 189239234 /nfs/dbraw/zinc/23/92/34/189239234.db2.gz JXFYBRPTBORASS-INIZCTEOSA-N 2 2 295.390 2.676 10 0 CFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)CC(C)C)nc[nH+]1 ZINC000180576191 189263285 /nfs/dbraw/zinc/26/32/85/189263285.db2.gz HWHTXVODSHUGDO-KGLIPLIRSA-N 2 2 291.443 2.511 10 0 CFAELP CC[C@H](C)Oc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000041166576 372823976 /nfs/dbraw/zinc/82/39/76/372823976.db2.gz XVDKBQPYFJXPMW-AWEZNQCLSA-N 2 2 262.397 2.659 10 0 CFAELP CC[C@H](C)Oc1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000041166576 372823987 /nfs/dbraw/zinc/82/39/87/372823987.db2.gz XVDKBQPYFJXPMW-AWEZNQCLSA-N 2 2 262.397 2.659 10 0 CFAELP Cc1ccc(-c2nc(N[C@@H]3CCC[NH2+]C3)cc(C)[nH+]2)cc1 ZINC000070456417 374181043 /nfs/dbraw/zinc/18/10/43/374181043.db2.gz DFBVNJXQNBALQE-OAHLLOKOSA-N 2 2 282.391 2.924 10 0 CFAELP CCCc1cc(NC2CC[NH2+]CC2)nc(-c2ccncc2)[nH+]1 ZINC000070451732 374177809 /nfs/dbraw/zinc/17/78/09/374177809.db2.gz OBZRXEVIYFBWFX-UHFFFAOYSA-N 2 2 297.406 2.655 10 0 CFAELP CC1(C)Cc2cccc(C[N@@H+]3CCCC[C@@H]3C[NH3+])c2O1 ZINC000080509988 374658719 /nfs/dbraw/zinc/65/87/19/374658719.db2.gz ZFHYTTOBOZQTRL-OAHLLOKOSA-N 2 2 274.408 2.713 10 0 CFAELP CC1(C)Cc2cccc(C[N@H+]3CCCC[C@@H]3C[NH3+])c2O1 ZINC000080509988 374658721 /nfs/dbraw/zinc/65/87/21/374658721.db2.gz ZFHYTTOBOZQTRL-OAHLLOKOSA-N 2 2 274.408 2.713 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000119285180 376385117 /nfs/dbraw/zinc/38/51/17/376385117.db2.gz KYUIQRQSEQSKIN-HNNXBMFYSA-N 2 2 277.412 2.509 10 0 CFAELP Cc1csc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000130932078 377633275 /nfs/dbraw/zinc/63/32/75/377633275.db2.gz AVSXLDJFKKJYBL-CYBMUJFWSA-N 2 2 288.420 2.781 10 0 CFAELP Cc1csc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000130932078 377633280 /nfs/dbraw/zinc/63/32/80/377633280.db2.gz AVSXLDJFKKJYBL-CYBMUJFWSA-N 2 2 288.420 2.781 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000132294569 377824668 /nfs/dbraw/zinc/82/46/68/377824668.db2.gz BNZZDJKGRSWZDR-MRXNPFEDSA-N 2 2 290.455 2.568 10 0 CFAELP CCC[C@@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000138070678 378230953 /nfs/dbraw/zinc/23/09/53/378230953.db2.gz CHDYNUKVHKVTKR-HNNXBMFYSA-N 2 2 286.379 2.541 10 0 CFAELP C[C@H]1CCN(c2[nH+]ccc3ccccc32)C[C@@H]1C[NH3+] ZINC000163932425 378997663 /nfs/dbraw/zinc/99/76/63/378997663.db2.gz GEPIIZAEAWEYDI-JSGCOSHPSA-N 2 2 255.365 2.656 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000335653019 379667791 /nfs/dbraw/zinc/66/77/91/379667791.db2.gz RDPXEDZUSTWXKW-JSGCOSHPSA-N 2 2 262.422 2.907 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000335653019 379667799 /nfs/dbraw/zinc/66/77/99/379667799.db2.gz RDPXEDZUSTWXKW-JSGCOSHPSA-N 2 2 262.422 2.907 10 0 CFAELP CC[N@@H+]1CCC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC000180429916 380659252 /nfs/dbraw/zinc/65/92/52/380659252.db2.gz SNPOMASTSWJYRG-CYBMUJFWSA-N 2 2 274.412 2.560 10 0 CFAELP CC[N@H+]1CCC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC000180429916 380659257 /nfs/dbraw/zinc/65/92/57/380659257.db2.gz SNPOMASTSWJYRG-CYBMUJFWSA-N 2 2 274.412 2.560 10 0 CFAELP C[C@H](CNc1cc[nH+]c2ccsc21)[N@@H+]1CCOC[C@@H]1C ZINC000301395662 382166654 /nfs/dbraw/zinc/16/66/54/382166654.db2.gz LTFDDWSPQKFKDF-NEPJUHHUSA-N 2 2 291.420 2.817 10 0 CFAELP C[C@H](CNc1cc[nH+]c2ccsc21)[N@H+]1CCOC[C@@H]1C ZINC000301395662 382166659 /nfs/dbraw/zinc/16/66/59/382166659.db2.gz LTFDDWSPQKFKDF-NEPJUHHUSA-N 2 2 291.420 2.817 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CCC(CSC)CC2)C1 ZINC000385715950 382575398 /nfs/dbraw/zinc/57/53/98/382575398.db2.gz RQYQWBORLSWCOZ-NRXISQOPSA-N 2 2 270.486 2.982 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]C2CCC(CSC)CC2)C1 ZINC000385715950 382575405 /nfs/dbraw/zinc/57/54/05/382575405.db2.gz RQYQWBORLSWCOZ-NRXISQOPSA-N 2 2 270.486 2.982 10 0 CFAELP CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000358400153 382601356 /nfs/dbraw/zinc/60/13/56/382601356.db2.gz LHOCOGUASMWYOI-IPYPFGDCSA-N 2 2 262.397 2.686 10 0 CFAELP CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000358400153 382601360 /nfs/dbraw/zinc/60/13/60/382601360.db2.gz LHOCOGUASMWYOI-IPYPFGDCSA-N 2 2 262.397 2.686 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(OC)c2)C1 ZINC000389455530 382614067 /nfs/dbraw/zinc/61/40/67/382614067.db2.gz RGYXYSUXCGQCRT-DGCLKSJQSA-N 2 2 266.360 2.579 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(OC)c2)C1 ZINC000389455530 382614069 /nfs/dbraw/zinc/61/40/69/382614069.db2.gz RGYXYSUXCGQCRT-DGCLKSJQSA-N 2 2 266.360 2.579 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]CCSCc2ccccc2)C1 ZINC000193903597 382728950 /nfs/dbraw/zinc/72/89/50/382728950.db2.gz LXGHJUOIHWQHDC-MRXNPFEDSA-N 2 2 278.465 2.994 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]CCSCc2ccccc2)C1 ZINC000193903597 382728951 /nfs/dbraw/zinc/72/89/51/382728951.db2.gz LXGHJUOIHWQHDC-MRXNPFEDSA-N 2 2 278.465 2.994 10 0 CFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC000195258926 382765025 /nfs/dbraw/zinc/76/50/25/382765025.db2.gz OVVNUNKTUZVGDR-LQPUYASZSA-N 2 2 299.871 2.958 10 0 CFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC000195258926 382765027 /nfs/dbraw/zinc/76/50/27/382765027.db2.gz OVVNUNKTUZVGDR-LQPUYASZSA-N 2 2 299.871 2.958 10 0 CFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000195258926 382765031 /nfs/dbraw/zinc/76/50/31/382765031.db2.gz OVVNUNKTUZVGDR-LQPUYASZSA-N 2 2 299.871 2.958 10 0 CFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC000195285959 382766174 /nfs/dbraw/zinc/76/61/74/382766174.db2.gz LRGMRGCYMLUAMN-YFCVBGDOSA-N 2 2 279.815 2.588 10 0 CFAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC000195285959 382766176 /nfs/dbraw/zinc/76/61/76/382766176.db2.gz LRGMRGCYMLUAMN-YFCVBGDOSA-N 2 2 279.815 2.588 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000195285959 382766178 /nfs/dbraw/zinc/76/61/78/382766178.db2.gz LRGMRGCYMLUAMN-YFCVBGDOSA-N 2 2 279.815 2.588 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000195285959 382766180 /nfs/dbraw/zinc/76/61/80/382766180.db2.gz LRGMRGCYMLUAMN-YFCVBGDOSA-N 2 2 279.815 2.588 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CCc2ccc(O)cc2)C1 ZINC000250398590 383375270 /nfs/dbraw/zinc/37/52/70/383375270.db2.gz YWUWGFWBJPTCLG-ZBFHGGJFSA-N 2 2 276.424 2.787 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CCc2ccc(O)cc2)C1 ZINC000250398590 383375273 /nfs/dbraw/zinc/37/52/73/383375273.db2.gz YWUWGFWBJPTCLG-ZBFHGGJFSA-N 2 2 276.424 2.787 10 0 CFAELP C[C@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)C[C@@H]1[NH3+] ZINC000261999321 383592236 /nfs/dbraw/zinc/59/22/36/383592236.db2.gz LDMOOGTVRCXJOF-GUYCJALGSA-N 2 2 267.376 2.528 10 0 CFAELP C[C@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)C[C@@H]1[NH3+] ZINC000261999321 383592239 /nfs/dbraw/zinc/59/22/39/383592239.db2.gz LDMOOGTVRCXJOF-GUYCJALGSA-N 2 2 267.376 2.528 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccccc2N(C)C)C1 ZINC000245740838 285269860 /nfs/dbraw/zinc/26/98/60/285269860.db2.gz GEYGUJNKQPURSU-CABCVRRESA-N 2 2 275.440 2.888 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccccc2N(C)C)C1 ZINC000245740838 285269861 /nfs/dbraw/zinc/26/98/61/285269861.db2.gz GEYGUJNKQPURSU-CABCVRRESA-N 2 2 275.440 2.888 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000247054420 393892521 /nfs/dbraw/zinc/89/25/21/393892521.db2.gz FNJADPBYIYYJOC-DLBZAZTESA-N 2 2 299.418 2.816 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000247054420 393892523 /nfs/dbraw/zinc/89/25/23/393892523.db2.gz FNJADPBYIYYJOC-DLBZAZTESA-N 2 2 299.418 2.816 10 0 CFAELP C[C@H]([NH2+][C@@H](C[NH+](C)C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000037220937 543027830 /nfs/dbraw/zinc/02/78/30/543027830.db2.gz HYNUQTQSUJIMRY-YJBOKZPZSA-N 3 2 289.467 2.609 10 0 CFAELP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)C1 ZINC000384488756 543101419 /nfs/dbraw/zinc/10/14/19/543101419.db2.gz JONYZKUQORWEFU-BBWFWOEESA-N 2 2 282.472 2.638 10 0 CFAELP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)C1 ZINC000384488756 543101420 /nfs/dbraw/zinc/10/14/20/543101420.db2.gz JONYZKUQORWEFU-BBWFWOEESA-N 2 2 282.472 2.638 10 0 CFAELP C=Cn1c(C[NH+]2CCOCC2)cc2c1[C@@H](C)C[N@H+](C)[C@H]2C ZINC000257353345 397629191 /nfs/dbraw/zinc/62/91/91/397629191.db2.gz QQAZTDNFDBEHRQ-KBPBESRZSA-N 2 2 289.423 2.531 10 0 CFAELP C=Cn1c(C[NH+]2CCOCC2)cc2c1[C@@H](C)C[N@@H+](C)[C@H]2C ZINC000257353345 397629195 /nfs/dbraw/zinc/62/91/95/397629195.db2.gz QQAZTDNFDBEHRQ-KBPBESRZSA-N 2 2 289.423 2.531 10 0 CFAELP C[N@H+](CCc1ccccc1)[C@@H](C[NH3+])c1ccccc1 ZINC000020225410 171088639 /nfs/dbraw/zinc/08/86/39/171088639.db2.gz PTTIZYTVEYZZDO-KRWDZBQOSA-N 2 2 254.377 2.861 10 0 CFAELP C[N@@H+](CCc1ccccc1)[C@@H](C[NH3+])c1ccccc1 ZINC000020225410 171088642 /nfs/dbraw/zinc/08/86/42/171088642.db2.gz PTTIZYTVEYZZDO-KRWDZBQOSA-N 2 2 254.377 2.861 10 0 CFAELP C[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226526 171091293 /nfs/dbraw/zinc/09/12/93/171091293.db2.gz MUDCYRXIYGKOAN-ZDUSSCGKSA-N 2 2 283.213 2.791 10 0 CFAELP C[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226526 171091294 /nfs/dbraw/zinc/09/12/94/171091294.db2.gz MUDCYRXIYGKOAN-ZDUSSCGKSA-N 2 2 283.213 2.791 10 0 CFAELP CCCCCC[C@H](C[NH3+])[N@H+](C)CCc1ccccn1 ZINC000020520681 171234096 /nfs/dbraw/zinc/23/40/96/171234096.db2.gz LENYONGVGQYJCL-MRXNPFEDSA-N 2 2 263.429 2.854 10 0 CFAELP CCCCCC[C@H](C[NH3+])[N@@H+](C)CCc1ccccn1 ZINC000020520681 171234097 /nfs/dbraw/zinc/23/40/97/171234097.db2.gz LENYONGVGQYJCL-MRXNPFEDSA-N 2 2 263.429 2.854 10 0 CFAELP CC(C)[N@H+](C)[C@@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000022165177 171365538 /nfs/dbraw/zinc/36/55/38/171365538.db2.gz XZUHWEPPUPUBBD-NSHDSACASA-N 2 2 276.302 2.925 10 0 CFAELP CC(C)[N@@H+](C)[C@@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000022165177 171365540 /nfs/dbraw/zinc/36/55/40/171365540.db2.gz XZUHWEPPUPUBBD-NSHDSACASA-N 2 2 276.302 2.925 10 0 CFAELP COc1cccc([C@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000022216362 171375693 /nfs/dbraw/zinc/37/56/93/171375693.db2.gz HFGAEKBLCBOJGA-ZENOOKHLSA-N 2 2 262.397 2.673 10 0 CFAELP COc1cccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000022216362 171375694 /nfs/dbraw/zinc/37/56/94/171375694.db2.gz HFGAEKBLCBOJGA-ZENOOKHLSA-N 2 2 262.397 2.673 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccccc1Br ZINC000035504171 172237354 /nfs/dbraw/zinc/23/73/54/172237354.db2.gz CCYHAHAMEVTZLY-NSHDSACASA-N 2 2 280.169 2.675 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc2c(s1)CCCC2 ZINC000035503453 172237607 /nfs/dbraw/zinc/23/76/07/172237607.db2.gz OKJMPNWVPCXABB-NSHDSACASA-N 2 2 261.394 2.853 10 0 CFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1c(F)cccc1F ZINC000035570278 172266568 /nfs/dbraw/zinc/26/65/68/172266568.db2.gz KDJNBHGUAAVBPF-NSHDSACASA-N 2 2 251.280 2.581 10 0 CFAELP COC(C)(C)C[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028683 174017066 /nfs/dbraw/zinc/01/70/66/174017066.db2.gz HHIOLJDCHLBTNH-KGLIPLIRSA-N 2 2 256.434 2.654 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000039789171 174173033 /nfs/dbraw/zinc/17/30/33/174173033.db2.gz FKMCHCAFMDZKOM-ZENOOKHLSA-N 2 2 292.423 2.967 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000039789171 174173034 /nfs/dbraw/zinc/17/30/34/174173034.db2.gz FKMCHCAFMDZKOM-ZENOOKHLSA-N 2 2 292.423 2.967 10 0 CFAELP COc1ccc(OC)c([C@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000039789154 174173354 /nfs/dbraw/zinc/17/33/54/174173354.db2.gz ALKJCEBUQMUVNR-ZENOOKHLSA-N 2 2 292.423 2.967 10 0 CFAELP COc1ccc(OC)c([C@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000039789154 174173355 /nfs/dbraw/zinc/17/33/55/174173355.db2.gz ALKJCEBUQMUVNR-ZENOOKHLSA-N 2 2 292.423 2.967 10 0 CFAELP COCCCn1c2cc(Cl)ccc2[nH+]c1CCC[NH3+] ZINC000040403030 174253575 /nfs/dbraw/zinc/25/35/75/174253575.db2.gz WHPGVQFEDNDVSS-UHFFFAOYSA-N 2 2 281.787 2.618 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000040502668 174299402 /nfs/dbraw/zinc/29/94/02/174299402.db2.gz XFPPWWCIGDWEKR-OBYDGYHJSA-N 2 2 262.441 2.885 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000040502668 174299404 /nfs/dbraw/zinc/29/94/04/174299404.db2.gz XFPPWWCIGDWEKR-OBYDGYHJSA-N 2 2 262.441 2.885 10 0 CFAELP CC(C)[C@H]([NH3+])CCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000663275037 414666757 /nfs/dbraw/zinc/66/67/57/414666757.db2.gz AINDOGDZUOTWBJ-SNVBAGLBSA-N 2 2 261.291 2.886 10 0 CFAELP Cc1cc[nH+]c(NCC[C@@H]([NH3+])C(C)C)c1Br ZINC000663275839 414666785 /nfs/dbraw/zinc/66/67/85/414666785.db2.gz DWOZJPVMKFPTNP-SNVBAGLBSA-N 2 2 286.217 2.938 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc2ccccc2c1 ZINC000040638506 174362737 /nfs/dbraw/zinc/36/27/37/174362737.db2.gz ZXVLWRRWKINRAC-UHFFFAOYSA-N 2 2 265.360 2.906 10 0 CFAELP C[NH+](C)C1CC[NH+](Cc2cc3ccccc3cc2N)CC1 ZINC000040638393 174363034 /nfs/dbraw/zinc/36/30/34/174363034.db2.gz CHUTWUIJTJIFER-UHFFFAOYSA-N 2 2 283.419 2.948 10 0 CFAELP Cc1cc(C)c(C[NH2+]CCc2[nH+]ccn2C)c(C)c1 ZINC000040638542 174363305 /nfs/dbraw/zinc/36/33/05/174363305.db2.gz UESNMTKJKYKQHF-UHFFFAOYSA-N 2 2 257.381 2.678 10 0 CFAELP CC[C@@H]([NH2+]CCc1[nH+]ccn1C)c1ccc2c(c1)CCO2 ZINC000040639317 174364001 /nfs/dbraw/zinc/36/40/01/174364001.db2.gz BCTQDIMQNKSIMJ-OAHLLOKOSA-N 2 2 285.391 2.638 10 0 CFAELP Cc1cc(C)c([C@H](C)[NH2+]CCc2[nH+]ccn2C)c(C)n1 ZINC000040639293 174364022 /nfs/dbraw/zinc/36/40/22/174364022.db2.gz TZPFUVGLAKXPPP-ZDUSSCGKSA-N 2 2 272.396 2.634 10 0 CFAELP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000040668681 174367437 /nfs/dbraw/zinc/36/74/37/174367437.db2.gz FWTZZAXRDBVBSW-XMTFNYHQSA-N 3 2 295.515 2.817 10 0 CFAELP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000040668681 174367438 /nfs/dbraw/zinc/36/74/38/174367438.db2.gz FWTZZAXRDBVBSW-XMTFNYHQSA-N 3 2 295.515 2.817 10 0 CFAELP CCOC1CC[NH+]([C@H](C[NH3+])c2sccc2C)CC1 ZINC000040689136 174375721 /nfs/dbraw/zinc/37/57/21/174375721.db2.gz CULANQXZHZJWKB-CYBMUJFWSA-N 2 2 268.426 2.557 10 0 CFAELP C[C@H](c1cc(F)ccc1F)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040748975 174393821 /nfs/dbraw/zinc/39/38/21/174393821.db2.gz RHLIWWVMYBQMJX-NSNUZPRRSA-N 2 2 266.335 2.980 10 0 CFAELP C[C@H](c1cc(F)ccc1F)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040748975 174393822 /nfs/dbraw/zinc/39/38/22/174393822.db2.gz RHLIWWVMYBQMJX-NSNUZPRRSA-N 2 2 266.335 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)cc1)[N@H+](CCOC)C1CC1 ZINC000042915276 174914697 /nfs/dbraw/zinc/91/46/97/174914697.db2.gz NJMSKWKVGGYBII-SJORKVTESA-N 2 2 276.424 2.884 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)cc1)[N@@H+](CCOC)C1CC1 ZINC000042915276 174914699 /nfs/dbraw/zinc/91/46/99/174914699.db2.gz NJMSKWKVGGYBII-SJORKVTESA-N 2 2 276.424 2.884 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)n1cc[nH+]c1 ZINC000043254326 174995154 /nfs/dbraw/zinc/99/51/54/174995154.db2.gz GTLDJEAJAKELHK-KWQFWETISA-N 2 2 255.774 2.925 10 0 CFAELP COCC[N@H+](CC(C)C)[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043314981 175004446 /nfs/dbraw/zinc/00/44/46/175004446.db2.gz MSNPZGOQOHVXIU-KRWDZBQOSA-N 2 2 278.440 2.908 10 0 CFAELP COCC[N@@H+](CC(C)C)[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043314981 175004448 /nfs/dbraw/zinc/00/44/48/175004448.db2.gz MSNPZGOQOHVXIU-KRWDZBQOSA-N 2 2 278.440 2.908 10 0 CFAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)CCc2ccncc2)c1C ZINC000043314724 175004756 /nfs/dbraw/zinc/00/47/56/175004756.db2.gz FJPGCUSWGIJGNV-GOSISDBHSA-N 2 2 283.419 2.873 10 0 CFAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)CCc2ccncc2)c1C ZINC000043314724 175004758 /nfs/dbraw/zinc/00/47/58/175004758.db2.gz FJPGCUSWGIJGNV-GOSISDBHSA-N 2 2 283.419 2.873 10 0 CFAELP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000043326312 175007553 /nfs/dbraw/zinc/00/75/53/175007553.db2.gz IAMBVBGZRBKBHB-DZGCQCFKSA-N 2 2 262.397 2.876 10 0 CFAELP CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000043326314 175007597 /nfs/dbraw/zinc/00/75/97/175007597.db2.gz IAMBVBGZRBKBHB-ZFWWWQNUSA-N 2 2 262.397 2.876 10 0 CFAELP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000043326744 175008331 /nfs/dbraw/zinc/00/83/31/175008331.db2.gz BRAILKZKYHWWKP-GXTWGEPZSA-N 2 2 262.397 2.943 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)CCc1ccccn1 ZINC000043334607 175010599 /nfs/dbraw/zinc/01/05/99/175010599.db2.gz MBRBUUMZSYRUQO-HOCLYGCPSA-N 2 2 273.380 2.628 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)CCc1ccccn1 ZINC000043334607 175010600 /nfs/dbraw/zinc/01/06/00/175010600.db2.gz MBRBUUMZSYRUQO-HOCLYGCPSA-N 2 2 273.380 2.628 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043338892 175013432 /nfs/dbraw/zinc/01/34/32/175013432.db2.gz CBQTUQBSLUDHHV-HLPPOEQASA-N 2 2 261.413 2.838 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043338892 175013433 /nfs/dbraw/zinc/01/34/33/175013433.db2.gz CBQTUQBSLUDHHV-HLPPOEQASA-N 2 2 261.413 2.838 10 0 CFAELP CCC[N@H+](Cc1ccccc1)[C@H](C[NH3+])c1ccncc1 ZINC000043353696 175021065 /nfs/dbraw/zinc/02/10/65/175021065.db2.gz PVFUWNDFVRGIFY-QGZVFWFLSA-N 2 2 269.392 2.994 10 0 CFAELP CCC[N@@H+](Cc1ccccc1)[C@H](C[NH3+])c1ccncc1 ZINC000043353696 175021066 /nfs/dbraw/zinc/02/10/66/175021066.db2.gz PVFUWNDFVRGIFY-QGZVFWFLSA-N 2 2 269.392 2.994 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@H+](CC1CC1)C(C)C ZINC000043354689 175022071 /nfs/dbraw/zinc/02/20/71/175022071.db2.gz XIALQTHABFAVQM-HOTGVXAUSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+](CC1CC1)C(C)C ZINC000043354689 175022073 /nfs/dbraw/zinc/02/20/73/175022073.db2.gz XIALQTHABFAVQM-HOTGVXAUSA-N 2 2 261.413 2.980 10 0 CFAELP CCC(CC)[N@@H+](CCOC)[C@H](c1ccncc1)[C@H]([NH3+])CC ZINC000043354730 175022597 /nfs/dbraw/zinc/02/25/97/175022597.db2.gz ICEXERKYXHWFMU-IAGOWNOFSA-N 2 2 293.455 2.997 10 0 CFAELP CCC(CC)[N@H+](CCOC)[C@H](c1ccncc1)[C@H]([NH3+])CC ZINC000043354730 175022599 /nfs/dbraw/zinc/02/25/99/175022599.db2.gz ICEXERKYXHWFMU-IAGOWNOFSA-N 2 2 293.455 2.997 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043354737 175022783 /nfs/dbraw/zinc/02/27/83/175022783.db2.gz MGMAGPSDFCVZCK-JQFCIGGWSA-N 2 2 291.439 2.607 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043354737 175022785 /nfs/dbraw/zinc/02/27/85/175022785.db2.gz MGMAGPSDFCVZCK-JQFCIGGWSA-N 2 2 291.439 2.607 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354920 175023067 /nfs/dbraw/zinc/02/30/67/175023067.db2.gz NORLDHRZIXUOOH-BZNIZROVSA-N 2 2 266.348 2.676 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043379398 175031016 /nfs/dbraw/zinc/03/10/16/175031016.db2.gz PFYDWJDTONPXCC-RDDDGLTNSA-N 2 2 257.259 2.795 10 0 CFAELP C[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390406 175033566 /nfs/dbraw/zinc/03/35/66/175033566.db2.gz RKLHQSJVLZATIT-CYBMUJFWSA-N 2 2 256.752 2.821 10 0 CFAELP C[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390406 175033567 /nfs/dbraw/zinc/03/35/67/175033567.db2.gz RKLHQSJVLZATIT-CYBMUJFWSA-N 2 2 256.752 2.821 10 0 CFAELP COCC[N@H+]([C@H](C[NH3+])C[C@@H](C)c1ccccc1)C1CC1 ZINC000043535029 175063543 /nfs/dbraw/zinc/06/35/43/175063543.db2.gz SWSMOBHWMWZSST-PBHICJAKSA-N 2 2 276.424 2.618 10 0 CFAELP COCC[N@@H+]([C@H](C[NH3+])C[C@@H](C)c1ccccc1)C1CC1 ZINC000043535029 175063545 /nfs/dbraw/zinc/06/35/45/175063545.db2.gz SWSMOBHWMWZSST-PBHICJAKSA-N 2 2 276.424 2.618 10 0 CFAELP CCn1c2ccccc2[nH+]c1CC[C@H]1CCC[NH2+]C1 ZINC000043585964 175071457 /nfs/dbraw/zinc/07/14/57/175071457.db2.gz MLYRCXMLYSBJSO-CYBMUJFWSA-N 2 2 257.381 2.988 10 0 CFAELP c1ccc2c(c1)CC[N@@H+](C[C@@H]1[NH2+]CCc3ccccc31)C2 ZINC000043595951 175076857 /nfs/dbraw/zinc/07/68/57/175076857.db2.gz ZOZBHXHHJVWIGI-IBGZPJMESA-N 2 2 278.399 2.932 10 0 CFAELP c1ccc2c(c1)CC[N@H+](C[C@@H]1[NH2+]CCc3ccccc31)C2 ZINC000043595951 175076861 /nfs/dbraw/zinc/07/68/61/175076861.db2.gz ZOZBHXHHJVWIGI-IBGZPJMESA-N 2 2 278.399 2.932 10 0 CFAELP CCC[C@H]([NH2+]C)[C@@H](CC)[N@H+](C)CCc1ccccn1 ZINC000043818751 175113842 /nfs/dbraw/zinc/11/38/42/175113842.db2.gz VNQDGIJDYAVZOH-JKSUJKDBSA-N 2 2 263.429 2.723 10 0 CFAELP CCC[C@H]([NH2+]C)[C@@H](CC)[N@@H+](C)CCc1ccccn1 ZINC000043818751 175113843 /nfs/dbraw/zinc/11/38/43/175113843.db2.gz VNQDGIJDYAVZOH-JKSUJKDBSA-N 2 2 263.429 2.723 10 0 CFAELP CCC[C@@H]([NH2+]C)[C@@H](CC)[N@H+](C)CCc1ccccn1 ZINC000043818753 175113862 /nfs/dbraw/zinc/11/38/62/175113862.db2.gz VNQDGIJDYAVZOH-HZPDHXFCSA-N 2 2 263.429 2.723 10 0 CFAELP CCC[C@@H]([NH2+]C)[C@@H](CC)[N@@H+](C)CCc1ccccn1 ZINC000043818753 175113863 /nfs/dbraw/zinc/11/38/63/175113863.db2.gz VNQDGIJDYAVZOH-HZPDHXFCSA-N 2 2 263.429 2.723 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)CCc1ccccn1 ZINC000043818940 175113963 /nfs/dbraw/zinc/11/39/63/175113963.db2.gz MLORALCXXLEBFF-IAGOWNOFSA-N 2 2 275.440 2.867 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818940 175113964 /nfs/dbraw/zinc/11/39/64/175113964.db2.gz MLORALCXXLEBFF-IAGOWNOFSA-N 2 2 275.440 2.867 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@H+](C)Cc1cccnc1 ZINC000043893426 175118432 /nfs/dbraw/zinc/11/84/32/175118432.db2.gz HQYNHOUNOYJZMQ-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@@H+](C)Cc1cccnc1 ZINC000043893426 175118434 /nfs/dbraw/zinc/11/84/34/175118434.db2.gz HQYNHOUNOYJZMQ-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@@H]1c2ccccc2CC[C@@H]1[N@H+](C)Cc1ccncc1 ZINC000043893970 175119145 /nfs/dbraw/zinc/11/91/45/175119145.db2.gz CUNCCSHIGNJNPS-ZWKOTPCHSA-N 2 2 281.403 2.789 10 0 CFAELP C[NH2+][C@@H]1c2ccccc2CC[C@@H]1[N@@H+](C)Cc1ccncc1 ZINC000043893970 175119146 /nfs/dbraw/zinc/11/91/46/175119146.db2.gz CUNCCSHIGNJNPS-ZWKOTPCHSA-N 2 2 281.403 2.789 10 0 CFAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)Cc1ccncc1 ZINC000043894042 175119612 /nfs/dbraw/zinc/11/96/12/175119612.db2.gz CGMNUUCBPLRNAF-KBMXLJTQSA-N 2 2 261.413 2.680 10 0 CFAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)Cc1ccncc1 ZINC000043894042 175119614 /nfs/dbraw/zinc/11/96/14/175119614.db2.gz CGMNUUCBPLRNAF-KBMXLJTQSA-N 2 2 261.413 2.680 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@H]1[N@H+](C)C1CCOCC1 ZINC000043898385 175121160 /nfs/dbraw/zinc/12/11/60/175121160.db2.gz ANABROREAMTAEI-JKSUJKDBSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@H]1[N@@H+](C)C1CCOCC1 ZINC000043898385 175121161 /nfs/dbraw/zinc/12/11/61/175121161.db2.gz ANABROREAMTAEI-JKSUJKDBSA-N 2 2 268.445 2.798 10 0 CFAELP CC[C@@H]1COCC[N@@H+]1Cc1cc([C@@H](C)[NH2+]C)ccc1OC ZINC000043899087 175121440 /nfs/dbraw/zinc/12/14/40/175121440.db2.gz VERQOXZFENJALW-CZUORRHYSA-N 2 2 292.423 2.586 10 0 CFAELP CC[C@@H]1COCC[N@H+]1Cc1cc([C@@H](C)[NH2+]C)ccc1OC ZINC000043899087 175121441 /nfs/dbraw/zinc/12/14/41/175121441.db2.gz VERQOXZFENJALW-CZUORRHYSA-N 2 2 292.423 2.586 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)CCc1ccncc1 ZINC000043902298 175122317 /nfs/dbraw/zinc/12/23/17/175122317.db2.gz HUSHNGCXBHVRFC-SJORKVTESA-N 2 2 275.440 2.867 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902298 175122318 /nfs/dbraw/zinc/12/23/18/175122318.db2.gz HUSHNGCXBHVRFC-SJORKVTESA-N 2 2 275.440 2.867 10 0 CFAELP CCC[NH2+][C@@H](C)[C@@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000043912050 175123694 /nfs/dbraw/zinc/12/36/94/175123694.db2.gz WPRSHXXPVKIJSH-UONOGXRCSA-N 2 2 264.413 2.904 10 0 CFAELP CCC[NH2+][C@@H](C)[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000043912050 175123695 /nfs/dbraw/zinc/12/36/95/175123695.db2.gz WPRSHXXPVKIJSH-UONOGXRCSA-N 2 2 264.413 2.904 10 0 CFAELP C[NH2+][C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccccc1OC ZINC000043912162 175123844 /nfs/dbraw/zinc/12/38/44/175123844.db2.gz YONFMWVDSDDXGI-GJZGRUSLSA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccccc1OC ZINC000043912162 175123845 /nfs/dbraw/zinc/12/38/45/175123845.db2.gz YONFMWVDSDDXGI-GJZGRUSLSA-N 2 2 262.397 2.658 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@H](C(C)C)[N@H+](C)CCOC ZINC000043915914 175125089 /nfs/dbraw/zinc/12/50/89/175125089.db2.gz NSOKAHPSWJVJFX-IRXDYDNUSA-N 2 2 278.440 2.940 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@H](C(C)C)[N@@H+](C)CCOC ZINC000043915914 175125090 /nfs/dbraw/zinc/12/50/90/175125090.db2.gz NSOKAHPSWJVJFX-IRXDYDNUSA-N 2 2 278.440 2.940 10 0 CFAELP CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1[N@H+](C)CCOC ZINC000043915873 175125096 /nfs/dbraw/zinc/12/50/96/175125096.db2.gz KUGKNLPFZDGGOE-KSZLIROESA-N 2 2 290.451 2.879 10 0 CFAELP CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1[N@@H+](C)CCOC ZINC000043915873 175125097 /nfs/dbraw/zinc/12/50/97/175125097.db2.gz KUGKNLPFZDGGOE-KSZLIROESA-N 2 2 290.451 2.879 10 0 CFAELP CCC[NH2+][C@H]1c2ccccc2CC[C@@H]1[N@H+](C)CCOC ZINC000043916503 175125911 /nfs/dbraw/zinc/12/59/11/175125911.db2.gz GVROXOUFFNWOLQ-IRXDYDNUSA-N 2 2 276.424 2.620 10 0 CFAELP CCC[NH2+][C@H]1c2ccccc2CC[C@@H]1[N@@H+](C)CCOC ZINC000043916503 175125912 /nfs/dbraw/zinc/12/59/12/175125912.db2.gz GVROXOUFFNWOLQ-IRXDYDNUSA-N 2 2 276.424 2.620 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@H+](C)C[C@@H]1CCCO1 ZINC000043966142 175127122 /nfs/dbraw/zinc/12/71/22/175127122.db2.gz WHPBDBSPDAGQLC-ZNMIVQPWSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966142 175127123 /nfs/dbraw/zinc/12/71/23/175127123.db2.gz WHPBDBSPDAGQLC-ZNMIVQPWSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966723 175127700 /nfs/dbraw/zinc/12/77/00/175127700.db2.gz GQMKCARNEXHZDC-HRCADAONSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966723 175127701 /nfs/dbraw/zinc/12/77/01/175127701.db2.gz GQMKCARNEXHZDC-HRCADAONSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H](C[N@H+](CC)C[C@@H]1CCCO1)C(C)(C)C ZINC000043966904 175127772 /nfs/dbraw/zinc/12/77/72/175127772.db2.gz UXBZACZCSKZDCP-LSDHHAIUSA-N 2 2 270.461 2.902 10 0 CFAELP CCC[NH2+][C@H](C[N@@H+](CC)C[C@@H]1CCCO1)C(C)(C)C ZINC000043966904 175127773 /nfs/dbraw/zinc/12/77/73/175127773.db2.gz UXBZACZCSKZDCP-LSDHHAIUSA-N 2 2 270.461 2.902 10 0 CFAELP CCC[NH2+][C@@H](CC)[C@H](C)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966923 175127856 /nfs/dbraw/zinc/12/78/56/175127856.db2.gz KEGBTOSEOQLIAU-KKUMJFAQSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@@H](CC)[C@H](C)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966923 175127857 /nfs/dbraw/zinc/12/78/57/175127857.db2.gz KEGBTOSEOQLIAU-KKUMJFAQSA-N 2 2 256.434 2.654 10 0 CFAELP CC[NH2+][C@H](C[N@H+](CC)C[C@@H]1CCCO1)C(C)(C)C ZINC000043966844 175127971 /nfs/dbraw/zinc/12/79/71/175127971.db2.gz UEUCCNMPDJUBTO-UONOGXRCSA-N 2 2 256.434 2.512 10 0 CFAELP CC[NH2+][C@H](C[N@@H+](CC)C[C@@H]1CCCO1)C(C)(C)C ZINC000043966844 175127973 /nfs/dbraw/zinc/12/79/73/175127973.db2.gz UEUCCNMPDJUBTO-UONOGXRCSA-N 2 2 256.434 2.512 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2CC[C@H]1[N@H+](C)[C@@H](C)COC ZINC000043969337 175130516 /nfs/dbraw/zinc/13/05/16/175130516.db2.gz CQUGCJJOEYZNPX-IAOVAPTHSA-N 2 2 276.424 2.619 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2CC[C@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969337 175130517 /nfs/dbraw/zinc/13/05/17/175130517.db2.gz CQUGCJJOEYZNPX-IAOVAPTHSA-N 2 2 276.424 2.619 10 0 CFAELP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)[N@H+](CCOC)C1CC1 ZINC000043969731 175130887 /nfs/dbraw/zinc/13/08/87/175130887.db2.gz QZNXXXVMFZUTOR-PBHICJAKSA-N 2 2 276.424 2.755 10 0 CFAELP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)[N@@H+](CCOC)C1CC1 ZINC000043969731 175130888 /nfs/dbraw/zinc/13/08/88/175130888.db2.gz QZNXXXVMFZUTOR-PBHICJAKSA-N 2 2 276.424 2.755 10 0 CFAELP CC[C@H]([C@H]([NH2+]C)c1ccccc1)[N@H+](CCOC)C1CC1 ZINC000043969803 175131521 /nfs/dbraw/zinc/13/15/21/175131521.db2.gz VBUPEQVMBKXRCL-IAGOWNOFSA-N 2 2 276.424 2.837 10 0 CFAELP CC[C@H]([C@H]([NH2+]C)c1ccccc1)[N@@H+](CCOC)C1CC1 ZINC000043969803 175131523 /nfs/dbraw/zinc/13/15/23/175131523.db2.gz VBUPEQVMBKXRCL-IAGOWNOFSA-N 2 2 276.424 2.837 10 0 CFAELP CCCO[C@@H]1CCC[N@@H+]([C@@H](C)[C@@H](CC)[NH2+]CC)C1 ZINC000043971236 175133024 /nfs/dbraw/zinc/13/30/24/175133024.db2.gz NFDJLDSNTGVIHR-RRFJBIMHSA-N 2 2 256.434 2.654 10 0 CFAELP CCCO[C@@H]1CCC[N@H+]([C@@H](C)[C@@H](CC)[NH2+]CC)C1 ZINC000043971236 175133025 /nfs/dbraw/zinc/13/30/25/175133025.db2.gz NFDJLDSNTGVIHR-RRFJBIMHSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@H+](CCOC)[C@@H](C)COC ZINC000043975886 175133093 /nfs/dbraw/zinc/13/30/93/175133093.db2.gz WBJVJJJOQSROIT-ARFHVFGLSA-N 2 2 288.476 2.527 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@@H+](CCOC)[C@@H](C)COC ZINC000043975886 175133095 /nfs/dbraw/zinc/13/30/95/175133095.db2.gz WBJVJJJOQSROIT-ARFHVFGLSA-N 2 2 288.476 2.527 10 0 CFAELP CC[N@H+](C[C@@H]([NH2+]C)c1ccccc1C)[C@@H](C)COC ZINC000043981034 175133954 /nfs/dbraw/zinc/13/39/54/175133954.db2.gz JCSYZWLBQGZBBN-GOEBONIOSA-N 2 2 264.413 2.612 10 0 CFAELP CC[N@@H+](C[C@@H]([NH2+]C)c1ccccc1C)[C@@H](C)COC ZINC000043981034 175133955 /nfs/dbraw/zinc/13/39/55/175133955.db2.gz JCSYZWLBQGZBBN-GOEBONIOSA-N 2 2 264.413 2.612 10 0 CFAELP CC[NH2+][C@H](Cn1cc[nH+]c1)c1cc(C)ccc1OC ZINC000043992467 175135788 /nfs/dbraw/zinc/13/57/88/175135788.db2.gz PBQHZOVTTHTEOJ-CQSZACIVSA-N 2 2 259.353 2.551 10 0 CFAELP CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)n1cc[nH+]c1 ZINC000043993034 175135868 /nfs/dbraw/zinc/13/58/68/175135868.db2.gz NBEQOJXPMMFTCN-DOMZBBRYSA-N 2 2 259.353 2.804 10 0 CFAELP C[NH2+][C@H]1c2ccccc2OC[C@@H]1n1cc[nH+]c1C(C)C ZINC000043997536 175137189 /nfs/dbraw/zinc/13/71/89/175137189.db2.gz WRDQQCZQYGEOTC-ZFWWWQNUSA-N 2 2 271.364 2.901 10 0 CFAELP Cc1cc(C)c([C@H](O)C[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000044121180 175142881 /nfs/dbraw/zinc/14/28/81/175142881.db2.gz PJFUEHFQPCICOG-QGZVFWFLSA-N 2 2 290.451 2.671 10 0 CFAELP Cc1cc(C)c([C@H](O)C[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000044121180 175142883 /nfs/dbraw/zinc/14/28/83/175142883.db2.gz PJFUEHFQPCICOG-QGZVFWFLSA-N 2 2 290.451 2.671 10 0 CFAELP Cc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C[NH3+])cc1C ZINC000044557016 175202699 /nfs/dbraw/zinc/20/26/99/175202699.db2.gz CDBYQSKWDZMSEL-MRXNPFEDSA-N 2 2 276.424 2.886 10 0 CFAELP Cc1ccc(OCCC[N@H+]2CCCC[C@@H]2C[NH3+])cc1C ZINC000044557016 175202700 /nfs/dbraw/zinc/20/27/00/175202700.db2.gz CDBYQSKWDZMSEL-MRXNPFEDSA-N 2 2 276.424 2.886 10 0 CFAELP COc1ccc(C2CC([NH2+][C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000044685973 175231707 /nfs/dbraw/zinc/23/17/07/175231707.db2.gz IVHWNLDVIANVNZ-HWOWSKLDSA-N 2 2 286.419 2.768 10 0 CFAELP COc1ccc(C2CC([NH2+][C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000044685973 175231708 /nfs/dbraw/zinc/23/17/08/175231708.db2.gz IVHWNLDVIANVNZ-HWOWSKLDSA-N 2 2 286.419 2.768 10 0 CFAELP CSCC[C@@H](C[NH3+])[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045071062 175301370 /nfs/dbraw/zinc/30/13/70/175301370.db2.gz FBYSSRWQXHPFQN-UONOGXRCSA-N 2 2 256.459 2.721 10 0 CFAELP CSCC[C@@H](C[NH3+])[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045071062 175301372 /nfs/dbraw/zinc/30/13/72/175301372.db2.gz FBYSSRWQXHPFQN-UONOGXRCSA-N 2 2 256.459 2.721 10 0 CFAELP C[C@@]([NH3+])(CC[NH+](C1CCCCC1)C1CCCCC1)C(N)=O ZINC000045222792 175330849 /nfs/dbraw/zinc/33/08/49/175330849.db2.gz RYBCEOOTWNXRMJ-QGZVFWFLSA-N 2 2 295.471 2.547 10 0 CFAELP CC[NH2+][C@](C)(CCCC[NH+]1CCCCCCC1)C(=O)OC ZINC000045371444 175364115 /nfs/dbraw/zinc/36/41/15/175364115.db2.gz MMCBCMNMAZDYND-QGZVFWFLSA-N 2 2 298.471 2.964 10 0 CFAELP CCC[NH2+][C@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376088 175366258 /nfs/dbraw/zinc/36/62/58/175366258.db2.gz JZPNMMOCJBTZNF-DOTOQJQBSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@](C)(CCCC[N@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376088 175366260 /nfs/dbraw/zinc/36/62/60/175366260.db2.gz JZPNMMOCJBTZNF-DOTOQJQBSA-N 2 2 298.471 2.962 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[N@H+](C)C(C)C)[NH2+]C1CC1 ZINC000045378013 175367691 /nfs/dbraw/zinc/36/76/91/175367691.db2.gz XFYWKIZNACAIAP-MRXNPFEDSA-N 2 2 284.444 2.571 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[N@@H+](C)C(C)C)[NH2+]C1CC1 ZINC000045378013 175367692 /nfs/dbraw/zinc/36/76/92/175367692.db2.gz XFYWKIZNACAIAP-MRXNPFEDSA-N 2 2 284.444 2.571 10 0 CFAELP C[NH2+][C@@](C)(CCCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379588 175368321 /nfs/dbraw/zinc/36/83/21/175368321.db2.gz IDKBPKKWHOGVTI-DZKIICNBSA-N 2 2 284.444 2.571 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379739 175369203 /nfs/dbraw/zinc/36/92/03/175369203.db2.gz ZJYPCLPJBOMTIC-ZOBUZTSGSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[N@H+](CC)C(C)C)[NH2+]C1CC1 ZINC000045383739 175371192 /nfs/dbraw/zinc/37/11/92/175371192.db2.gz ZKBYPVNEJPLVCT-QGZVFWFLSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[N@@H+](CC)C(C)C)[NH2+]C1CC1 ZINC000045383739 175371194 /nfs/dbraw/zinc/37/11/94/175371194.db2.gz ZKBYPVNEJPLVCT-QGZVFWFLSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)[NH2+]C1CC1 ZINC000045392209 175375488 /nfs/dbraw/zinc/37/54/88/175375488.db2.gz KJOYITHKZJGDAB-WMLDXEAASA-N 2 2 298.471 2.817 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)[NH2+]C1CC1 ZINC000045392209 175375490 /nfs/dbraw/zinc/37/54/90/175375490.db2.gz KJOYITHKZJGDAB-WMLDXEAASA-N 2 2 298.471 2.817 10 0 CFAELP Cc1[nH+]c(-c2ccccc2)nc(NC2CC[NH2+]CC2)c1C ZINC000045947048 175387820 /nfs/dbraw/zinc/38/78/20/175387820.db2.gz ZUKFDYWSZQLIJG-UHFFFAOYSA-N 2 2 282.391 2.924 10 0 CFAELP CCc1cc(N[C@H]2CCC[NH2+]C2)nc(Nc2ccccc2)[nH+]1 ZINC000045947962 175388410 /nfs/dbraw/zinc/38/84/10/175388410.db2.gz ZIADOAGOFICDBF-HNNXBMFYSA-N 2 2 297.406 2.947 10 0 CFAELP CCc1nc(NC[C@@H]2CCC[NH2+]C2)cc(C(C)C)[nH+]1 ZINC000045955025 175389114 /nfs/dbraw/zinc/38/91/14/175389114.db2.gz QKDXNCYCMDHURW-GFCCVEGCSA-N 2 2 262.401 2.574 10 0 CFAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1scnc1C ZINC000071213596 176085255 /nfs/dbraw/zinc/08/52/55/176085255.db2.gz YJWCPDXODLDZRO-AGUYFDCRSA-N 2 2 279.453 2.947 10 0 CFAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1scnc1C ZINC000071213596 176085257 /nfs/dbraw/zinc/08/52/57/176085257.db2.gz YJWCPDXODLDZRO-AGUYFDCRSA-N 2 2 279.453 2.947 10 0 CFAELP CC(C)c1[nH+]c2cc(N)ccc2n1Cc1[nH+]ccn1C ZINC000071275910 176106709 /nfs/dbraw/zinc/10/67/09/176106709.db2.gz ZCOHSZGOWFCWRY-UHFFFAOYSA-N 2 2 269.352 2.524 10 0 CFAELP [NH3+]Cc1ccc2[nH+]c(CCc3ccccc3)[nH]c2c1 ZINC000071573353 176199618 /nfs/dbraw/zinc/19/96/18/176199618.db2.gz UDUNVQABHSWWNA-UHFFFAOYSA-N 2 2 251.333 2.807 10 0 CFAELP [NH3+]CCc1cn(Cc2ccc(Cl)c(Cl)c2)c[nH+]1 ZINC000071601267 176228387 /nfs/dbraw/zinc/22/83/87/176228387.db2.gz JUYIRYQGPWIZRW-UHFFFAOYSA-N 2 2 270.163 2.739 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000313325065 270290387 /nfs/dbraw/zinc/29/03/87/270290387.db2.gz KJYQXKMVHYXAFY-GJZGRUSLSA-N 2 2 267.376 2.731 10 0 CFAELP COc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234985468 274141912 /nfs/dbraw/zinc/14/19/12/274141912.db2.gz FDZLQHZZFHGAOV-WBMJQRKESA-N 2 2 270.376 2.627 10 0 CFAELP COc1ccc2ccccc2c1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234985468 274141913 /nfs/dbraw/zinc/14/19/13/274141913.db2.gz FDZLQHZZFHGAOV-WBMJQRKESA-N 2 2 270.376 2.627 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(OC)cc32)C1 ZINC000245411535 276179260 /nfs/dbraw/zinc/17/92/60/276179260.db2.gz XHMCPQZKKDIJAX-YOEHRIQHSA-N 2 2 274.408 2.756 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(OC)cc32)C1 ZINC000245411535 276179261 /nfs/dbraw/zinc/17/92/61/276179261.db2.gz XHMCPQZKKDIJAX-YOEHRIQHSA-N 2 2 274.408 2.756 10 0 CFAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000343137718 288092157 /nfs/dbraw/zinc/09/21/57/288092157.db2.gz AFHLSWIOOZFYBX-KXNHARMFSA-N 2 2 264.335 2.647 10 0 CFAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000343137718 288092159 /nfs/dbraw/zinc/09/21/59/288092159.db2.gz AFHLSWIOOZFYBX-KXNHARMFSA-N 2 2 264.335 2.647 10 0 CFAELP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000261553329 279086428 /nfs/dbraw/zinc/08/64/28/279086428.db2.gz ADVUUPVUAFVILL-SKDRFNHKSA-N 2 2 258.287 2.627 10 0 CFAELP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000261553329 279086431 /nfs/dbraw/zinc/08/64/31/279086431.db2.gz ADVUUPVUAFVILL-SKDRFNHKSA-N 2 2 258.287 2.627 10 0 CFAELP CC[N@@H+]1CCC[C@H]1CN(C)c1cc[nH+]cc1Cl ZINC000176946751 279328383 /nfs/dbraw/zinc/32/83/83/279328383.db2.gz KEURYZWIIUJRRJ-NSHDSACASA-N 2 2 253.777 2.656 10 0 CFAELP CC[N@H+]1CCC[C@H]1CN(C)c1cc[nH+]cc1Cl ZINC000176946751 279328384 /nfs/dbraw/zinc/32/83/84/279328384.db2.gz KEURYZWIIUJRRJ-NSHDSACASA-N 2 2 253.777 2.656 10 0 CFAELP COc1cccc(F)c1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000135093641 280767086 /nfs/dbraw/zinc/76/70/86/280767086.db2.gz SDYLKXPLMVVYSI-CYBMUJFWSA-N 2 2 280.387 2.971 10 0 CFAELP CCc1cc(N2CCC[C@@H]2Cn2cc[nH+]c2C)nc(C)[nH+]1 ZINC000272950277 281122243 /nfs/dbraw/zinc/12/22/43/281122243.db2.gz YOJKSNHHHAHFCJ-OAHLLOKOSA-N 2 2 285.395 2.521 10 0 CFAELP CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccc(OC)cc1 ZINC000396702735 281197139 /nfs/dbraw/zinc/19/71/39/281197139.db2.gz UVPINNXGGRJFHT-VBNZEHGJSA-N 2 2 262.397 2.876 10 0 CFAELP CC(C)[NH2+]C[C@H](C(C)C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507101 519724181 /nfs/dbraw/zinc/72/41/81/519724181.db2.gz SAOJSRYQKYEBQX-LSDHHAIUSA-N 2 2 256.434 2.510 10 0 CFAELP CC(C)[NH2+]C[C@H](C(C)C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507101 519724183 /nfs/dbraw/zinc/72/41/83/519724183.db2.gz SAOJSRYQKYEBQX-LSDHHAIUSA-N 2 2 256.434 2.510 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000049196128 519814773 /nfs/dbraw/zinc/81/47/73/519814773.db2.gz GJVMMMAMQRQLKM-WFASDCNBSA-N 2 2 250.386 2.629 10 0 CFAELP CC[N@@H+](CC1CC1)[C@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000069237201 520967585 /nfs/dbraw/zinc/96/75/85/520967585.db2.gz MHFDAVOWVXLCGK-ABAIWWIYSA-N 2 2 250.361 2.946 10 0 CFAELP CCOc1ccc([C@@H](C[NH3+])[N@@H+](CC)CC2CC2)cc1 ZINC000069237571 521228662 /nfs/dbraw/zinc/22/86/62/521228662.db2.gz JXHOODOZOFMSER-MRXNPFEDSA-N 2 2 262.397 2.817 10 0 CFAELP CC(C)[NH2+]C[C@@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417257 519722597 /nfs/dbraw/zinc/72/25/97/519722597.db2.gz LSYYGUYFKGROJT-SFHVURJKSA-N 2 2 289.467 2.831 10 0 CFAELP CC(C)[NH2+]C[C@@H](C)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418201 519722720 /nfs/dbraw/zinc/72/27/20/519722720.db2.gz WDNUSLONEDHNDD-OAHLLOKOSA-N 2 2 293.430 2.582 10 0 CFAELP CC(C)C[NH2+]C[C@@H](C(C)C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543359 519744471 /nfs/dbraw/zinc/74/44/71/519744471.db2.gz VMDFGXBEGSONPL-CABCVRRESA-N 2 2 270.461 2.756 10 0 CFAELP CC(C)C[NH2+]C[C@@H](C(C)C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543359 519744473 /nfs/dbraw/zinc/74/44/73/519744473.db2.gz VMDFGXBEGSONPL-CABCVRRESA-N 2 2 270.461 2.756 10 0 CFAELP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C[NH+](C)C)C(C)C)c1 ZINC000049197123 519749139 /nfs/dbraw/zinc/74/91/39/519749139.db2.gz FXOYSZGWYMKESU-SUMWQHHRSA-N 2 2 291.439 2.882 10 0 CFAELP CC(C)Oc1ncccc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000048760498 519785949 /nfs/dbraw/zinc/78/59/49/519785949.db2.gz APHIKXKIHDKSOR-GDBMZVCRSA-N 2 2 291.439 2.689 10 0 CFAELP CC(C)Oc1ncccc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000048760498 519785950 /nfs/dbraw/zinc/78/59/50/519785950.db2.gz APHIKXKIHDKSOR-GDBMZVCRSA-N 2 2 291.439 2.689 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H](C)c1ccc(O)cc1 ZINC000049195584 519814846 /nfs/dbraw/zinc/81/48/46/519814846.db2.gz TWGJDGOKERVTBC-DOMZBBRYSA-N 2 2 250.386 2.629 10 0 CFAELP CC(C)[C@H](C[NH2+]C(C)(C)C)[N@H+](C)CCc1ccncc1 ZINC000052483018 519815835 /nfs/dbraw/zinc/81/58/35/519815835.db2.gz PUTFPJYRQIGERG-INIZCTEOSA-N 2 2 277.456 2.969 10 0 CFAELP CC(C)[C@H](C[NH2+]C(C)(C)C)[N@@H+](C)CCc1ccncc1 ZINC000052483018 519815836 /nfs/dbraw/zinc/81/58/36/519815836.db2.gz PUTFPJYRQIGERG-INIZCTEOSA-N 2 2 277.456 2.969 10 0 CFAELP CC[NH2+]C[C@@H](C)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443452 519943347 /nfs/dbraw/zinc/94/33/47/519943347.db2.gz BQYZJGJICDRVLH-CQSZACIVSA-N 2 2 295.858 2.708 10 0 CFAELP CC[NH2+]C[C@H](CC)[N@H+](C)Cc1cccc(OC)c1 ZINC000052372880 519971422 /nfs/dbraw/zinc/97/14/22/519971422.db2.gz DSCOZWRBHWPQAT-AWEZNQCLSA-N 2 2 250.386 2.515 10 0 CFAELP CC[NH2+]C[C@H](CC)[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372880 519971428 /nfs/dbraw/zinc/97/14/28/519971428.db2.gz DSCOZWRBHWPQAT-AWEZNQCLSA-N 2 2 250.386 2.515 10 0 CFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)C1(c2ccccc2)CC1 ZINC000061617900 520108288 /nfs/dbraw/zinc/10/82/88/520108288.db2.gz YSTGHWLROCDJRQ-AWEZNQCLSA-N 2 2 255.365 2.662 10 0 CFAELP CC1(C)CC[NH+]([C@@H](C[NH3+])c2ccc3c(c2)OCCO3)CC1 ZINC000061818862 520382734 /nfs/dbraw/zinc/38/27/34/520382734.db2.gz LMISGEVQIQXJRS-AWEZNQCLSA-N 2 2 290.407 2.580 10 0 CFAELP CC[N@H+](CC1CC1)[C@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000069237201 520967577 /nfs/dbraw/zinc/96/75/77/520967577.db2.gz MHFDAVOWVXLCGK-ABAIWWIYSA-N 2 2 250.361 2.946 10 0 CFAELP CC[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000069237423 520968207 /nfs/dbraw/zinc/96/82/07/520968207.db2.gz XBNGOZBTZWYJSK-AWEZNQCLSA-N 2 2 254.324 2.697 10 0 CFAELP CC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000069237423 520968212 /nfs/dbraw/zinc/96/82/12/520968212.db2.gz XBNGOZBTZWYJSK-AWEZNQCLSA-N 2 2 254.324 2.697 10 0 CFAELP CCOc1ccc([C@@H](C[NH3+])[N@H+](CC)CC2CC2)cc1 ZINC000069237571 521228659 /nfs/dbraw/zinc/22/86/59/521228659.db2.gz JXHOODOZOFMSER-MRXNPFEDSA-N 2 2 262.397 2.817 10 0 CFAELP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCOc1cc(C)cc(C)c1 ZINC000063169074 522039962 /nfs/dbraw/zinc/03/99/62/522039962.db2.gz ZOKILMUSMJFJQC-INIZCTEOSA-N 2 2 276.424 2.756 10 0 CFAELP C[NH2+]C[C@@H]1CCCC[N@H+]1CCOc1cc(C)cc(C)c1 ZINC000063169074 522039972 /nfs/dbraw/zinc/03/99/72/522039972.db2.gz ZOKILMUSMJFJQC-INIZCTEOSA-N 2 2 276.424 2.756 10 0 CFAELP CC[C@@H](C)[N@H+](CCOC)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546465 522094888 /nfs/dbraw/zinc/09/48/88/522094888.db2.gz QLPPZCSIVSBTFE-CJNGLKHVSA-N 2 2 282.403 2.881 10 0 CFAELP CC[C@@H](C)[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546465 522094898 /nfs/dbraw/zinc/09/48/98/522094898.db2.gz QLPPZCSIVSBTFE-CJNGLKHVSA-N 2 2 282.403 2.881 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[NH+]1CCC(C)(C)CC1 ZINC000061818553 522344387 /nfs/dbraw/zinc/34/43/87/522344387.db2.gz VLAOZZPVKYSXNA-GJZGRUSLSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@H]1CO[C@H](C)C[N@H+]1[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052570738 523353274 /nfs/dbraw/zinc/35/32/74/523353274.db2.gz ALIUYDKDITYSTR-ILXRZTDVSA-N 2 2 270.461 2.898 10 0 CFAELP CC[C@H]1CO[C@H](C)C[N@@H+]1[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052570738 523353267 /nfs/dbraw/zinc/35/32/67/523353267.db2.gz ALIUYDKDITYSTR-ILXRZTDVSA-N 2 2 270.461 2.898 10 0 CFAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000246451914 523487048 /nfs/dbraw/zinc/48/70/48/523487048.db2.gz LZXWPGFSQUHTML-CABCVRRESA-N 2 2 286.423 2.725 10 0 CFAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000246451914 523487058 /nfs/dbraw/zinc/48/70/58/523487058.db2.gz LZXWPGFSQUHTML-CABCVRRESA-N 2 2 286.423 2.725 10 0 CFAELP CCn1cc[nH+]c1Cn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000311907706 523546963 /nfs/dbraw/zinc/54/69/63/523546963.db2.gz QSHCUOKKECNZQM-NWDGAFQWSA-N 2 2 258.369 2.519 10 0 CFAELP COc1ccc(C)cc1C[N@H+](CC[NH3+])C1CCCC1 ZINC000050705053 523810252 /nfs/dbraw/zinc/81/02/52/523810252.db2.gz ZVNCORQFOZRJSZ-UHFFFAOYSA-N 2 2 262.397 2.707 10 0 CFAELP COc1ccc(C)cc1C[N@@H+](CC[NH3+])C1CCCC1 ZINC000050705053 523810256 /nfs/dbraw/zinc/81/02/56/523810256.db2.gz ZVNCORQFOZRJSZ-UHFFFAOYSA-N 2 2 262.397 2.707 10 0 CFAELP CCc1ccc([C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000070143156 524046070 /nfs/dbraw/zinc/04/60/70/524046070.db2.gz YDAUMCOHQZKSOF-ZDUSSCGKSA-N 2 2 286.423 2.899 10 0 CFAELP COc1cccc([C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)c1 ZINC000049149466 524090813 /nfs/dbraw/zinc/09/08/13/524090813.db2.gz PSUZRAUGDKAIBM-UONOGXRCSA-N 2 2 262.397 2.830 10 0 CFAELP COc1cccc([C@@H](CN2CCCCC2=[NH2+])[NH+](C)C)c1 ZINC000049583997 524095927 /nfs/dbraw/zinc/09/59/27/524095927.db2.gz JOBDKOVBYAQVFF-OAHLLOKOSA-N 2 2 275.396 2.761 10 0 CFAELP C[C@H]1CC[N@H+](Cc2ccc(F)cc2F)CCC[NH2+]1 ZINC000051017756 524295267 /nfs/dbraw/zinc/29/52/67/524295267.db2.gz DSFNDOVOAJKPNB-NSHDSACASA-N 2 2 254.324 2.539 10 0 CFAELP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)CCC[NH2+]1 ZINC000051017756 524295271 /nfs/dbraw/zinc/29/52/71/524295271.db2.gz DSFNDOVOAJKPNB-NSHDSACASA-N 2 2 254.324 2.539 10 0 CFAELP COc1ccccc1C[C@H](C)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC000049151001 524510092 /nfs/dbraw/zinc/51/00/92/524510092.db2.gz LTKCNKKFOPLGCK-LSDHHAIUSA-N 2 2 276.424 2.700 10 0 CFAELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1cccc(Br)c1 ZINC000062802864 525002905 /nfs/dbraw/zinc/00/29/05/525002905.db2.gz LRYLAXSISVMURF-SNVBAGLBSA-N 2 2 294.196 2.584 10 0 CFAELP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)cc1 ZINC000049195849 525161215 /nfs/dbraw/zinc/16/12/15/525161215.db2.gz GIGIULULWVURFH-CJNGLKHVSA-N 2 2 264.413 2.932 10 0 CFAELP CSC[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000069434780 525683226 /nfs/dbraw/zinc/68/32/26/525683226.db2.gz UADDOCHYCWCERW-GDBMZVCRSA-N 2 2 278.465 2.850 10 0 CFAELP CSC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000069434780 525683232 /nfs/dbraw/zinc/68/32/32/525683232.db2.gz UADDOCHYCWCERW-GDBMZVCRSA-N 2 2 278.465 2.850 10 0 CFAELP C[C@@H](c1ccc(F)c(Br)c1)[N@H+](C)CC[NH3+] ZINC000061689615 526047644 /nfs/dbraw/zinc/04/76/44/526047644.db2.gz JOWXDQBJXSUAMQ-QMMMGPOBSA-N 2 2 275.165 2.540 10 0 CFAELP C[C@@H](c1ccc(F)c(Br)c1)[N@@H+](C)CC[NH3+] ZINC000061689615 526047659 /nfs/dbraw/zinc/04/76/59/526047659.db2.gz JOWXDQBJXSUAMQ-QMMMGPOBSA-N 2 2 275.165 2.540 10 0 CFAELP Cc1ccc2c(c1)[nH+]c(CC[C@@H]1CCCC[NH2+]1)n2C ZINC000050926805 526218435 /nfs/dbraw/zinc/21/84/35/526218435.db2.gz WGBYNZIOBZKEDA-ZDUSSCGKSA-N 2 2 257.381 2.956 10 0 CFAELP Fc1cc2[nH]c(CC[C@@H]3CCCC[NH2+]3)[nH+]c2cc1F ZINC000050926798 526311859 /nfs/dbraw/zinc/31/18/59/526311859.db2.gz LKFQIJDMGGCSEN-VIFPVBQESA-N 2 2 265.307 2.916 10 0 CFAELP c1ccc2c(c1)oc(C[NH2+]C1CC1)c2C[NH+]1CCOCC1 ZINC000052377787 526516042 /nfs/dbraw/zinc/51/60/42/526516042.db2.gz FBWOPDPRISEQIT-UHFFFAOYSA-N 2 2 286.375 2.517 10 0 CFAELP Cc1oc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1C[NH2+]CC(C)C ZINC000052476401 526773240 /nfs/dbraw/zinc/77/32/40/526773240.db2.gz ZLPYRXLHUGSQPW-KBPBESRZSA-N 2 2 294.439 2.943 10 0 CFAELP Cc1oc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cc1C[NH2+]CC(C)C ZINC000052476401 526773245 /nfs/dbraw/zinc/77/32/45/526773245.db2.gz ZLPYRXLHUGSQPW-KBPBESRZSA-N 2 2 294.439 2.943 10 0 CFAELP [NH3+]CCCc1[nH]cc(-c2ccc(F)c(Br)c2)[nH+]1 ZINC000061689798 527183698 /nfs/dbraw/zinc/18/36/98/527183698.db2.gz QBPYEDLAVKOLQF-UHFFFAOYSA-N 2 2 298.159 2.870 10 0 CFAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)Cc1ccc(C(F)(F)F)cc1 ZINC000050518304 527337371 /nfs/dbraw/zinc/33/73/71/527337371.db2.gz OKWPQCHSGBFCBT-LLVKDONJSA-N 2 2 269.270 2.541 10 0 CFAELP CC(C)C[C@H]([NH3+])C[NH+]1CCC(c2nccs2)CC1 ZINC000414736785 528552358 /nfs/dbraw/zinc/55/23/58/528552358.db2.gz CYOSQGCRQQFOGI-ZDUSSCGKSA-N 2 2 267.442 2.696 10 0 CFAELP CC[N@@H+]1CCO[C@@H](C[NH2+]CC2(C)CCCCCC2)C1 ZINC000394622483 574344897 /nfs/dbraw/zinc/34/48/97/574344897.db2.gz YOCOJKNTRBGEAV-HNNXBMFYSA-N 2 2 268.445 2.657 10 0 CFAELP CC[N@H+]1CCO[C@@H](C[NH2+]CC2(C)CCCCCC2)C1 ZINC000394622483 574344901 /nfs/dbraw/zinc/34/49/01/574344901.db2.gz YOCOJKNTRBGEAV-HNNXBMFYSA-N 2 2 268.445 2.657 10 0 CFAELP c1nc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)co1 ZINC000395113769 574348559 /nfs/dbraw/zinc/34/85/59/574348559.db2.gz BVOGDHWIAONJPS-CGTJXYLNSA-N 2 2 297.402 2.675 10 0 CFAELP c1nc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)co1 ZINC000395113769 574348561 /nfs/dbraw/zinc/34/85/61/574348561.db2.gz BVOGDHWIAONJPS-CGTJXYLNSA-N 2 2 297.402 2.675 10 0 CFAELP Cc1[nH]c(CC[NH3+])[nH+]c1-c1cccc(Br)c1 ZINC000082586263 178122179 /nfs/dbraw/zinc/12/21/79/178122179.db2.gz YESGBVSGLGHQKT-UHFFFAOYSA-N 2 2 280.169 2.649 10 0 CFAELP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccc(F)c1 ZINC000114029245 347770731 /nfs/dbraw/zinc/77/07/31/347770731.db2.gz ONXHCEMNMVLTOY-SJORKVTESA-N 2 2 270.351 2.752 10 0 CFAELP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cccc(F)c1 ZINC000114029245 347770733 /nfs/dbraw/zinc/77/07/33/347770733.db2.gz ONXHCEMNMVLTOY-SJORKVTESA-N 2 2 270.351 2.752 10 0 CFAELP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccnc2ccccc12 ZINC000111763330 347756270 /nfs/dbraw/zinc/75/62/70/347756270.db2.gz DFROGAGODYYXRJ-HNNXBMFYSA-N 2 2 269.392 2.809 10 0 CFAELP C[NH+](C)C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000132229782 347883569 /nfs/dbraw/zinc/88/35/69/347883569.db2.gz XKROURDIDDKFFZ-UHFFFAOYSA-N 2 2 269.392 2.761 10 0 CFAELP c1cc2c(s1)CC[NH2+][C@]21CC[N@H+](Cc2ccccc2)C1 ZINC000307204943 348397132 /nfs/dbraw/zinc/39/71/32/348397132.db2.gz GUFISNFXMOUJJM-KRWDZBQOSA-N 2 2 284.428 2.995 10 0 CFAELP [NH3+]C[C@H]([NH2+]C1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000087903704 179516953 /nfs/dbraw/zinc/51/69/53/179516953.db2.gz IFKKTUNNLKWAAG-HNNXBMFYSA-N 2 2 290.407 2.770 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC000389231203 348539828 /nfs/dbraw/zinc/53/98/28/348539828.db2.gz INGNRRCWOGARKM-UONOGXRCSA-N 2 2 262.397 2.748 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC000389231203 348539831 /nfs/dbraw/zinc/53/98/31/348539831.db2.gz INGNRRCWOGARKM-UONOGXRCSA-N 2 2 262.397 2.748 10 0 CFAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000091307974 539660113 /nfs/dbraw/zinc/66/01/13/539660113.db2.gz MPIKIWPNTZAJKC-GXTWGEPZSA-N 2 2 250.411 2.883 10 0 CFAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000091307974 539660117 /nfs/dbraw/zinc/66/01/17/539660117.db2.gz MPIKIWPNTZAJKC-GXTWGEPZSA-N 2 2 250.411 2.883 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000105922525 186091053 /nfs/dbraw/zinc/09/10/53/186091053.db2.gz WIVZBKWCTLHWHJ-OAHLLOKOSA-N 2 2 270.380 2.678 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000105922525 186091054 /nfs/dbraw/zinc/09/10/54/186091054.db2.gz WIVZBKWCTLHWHJ-OAHLLOKOSA-N 2 2 270.380 2.678 10 0 CFAELP CCC(CC)C[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000122294375 187025150 /nfs/dbraw/zinc/02/51/50/187025150.db2.gz SQXNWWKLBBMEAR-AWEZNQCLSA-N 2 2 291.443 2.513 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccnc2C)C1 ZINC000122942794 187061631 /nfs/dbraw/zinc/06/16/31/187061631.db2.gz CNHKDNGXJZFEKK-INIZCTEOSA-N 2 2 284.407 2.986 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccnc2C)C1 ZINC000122942794 187061632 /nfs/dbraw/zinc/06/16/32/187061632.db2.gz CNHKDNGXJZFEKK-INIZCTEOSA-N 2 2 284.407 2.986 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1ccc2ncccc2c1 ZINC000616615732 352385462 /nfs/dbraw/zinc/38/54/62/352385462.db2.gz AADJMFJZSVXHKJ-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1ccc2ncccc2c1 ZINC000616615732 352385465 /nfs/dbraw/zinc/38/54/65/352385465.db2.gz AADJMFJZSVXHKJ-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1ccc2cnccc2c1 ZINC000616616109 352385812 /nfs/dbraw/zinc/38/58/12/352385812.db2.gz HFXXASKXAIKCDR-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1ccc2cnccc2c1 ZINC000616616109 352385814 /nfs/dbraw/zinc/38/58/14/352385814.db2.gz HFXXASKXAIKCDR-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1cccc2ccnnc21 ZINC000616624922 352388927 /nfs/dbraw/zinc/38/89/27/352388927.db2.gz ISJIZUFMMNRAMK-HNNXBMFYSA-N 2 2 270.380 2.506 10 0 CFAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1cccc2ccnnc21 ZINC000616624922 352388930 /nfs/dbraw/zinc/38/89/30/352388930.db2.gz ISJIZUFMMNRAMK-HNNXBMFYSA-N 2 2 270.380 2.506 10 0 CFAELP CNc1ccccc1[C@H]1c2ccccc2CC[N@H+]1CC[NH3+] ZINC000616679319 352410030 /nfs/dbraw/zinc/41/00/30/352410030.db2.gz UATXAHNOUQHCHQ-GOSISDBHSA-N 2 2 281.403 2.635 10 0 CFAELP CNc1ccccc1[C@H]1c2ccccc2CC[N@@H+]1CC[NH3+] ZINC000616679319 352410032 /nfs/dbraw/zinc/41/00/32/352410032.db2.gz UATXAHNOUQHCHQ-GOSISDBHSA-N 2 2 281.403 2.635 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000233479541 539958581 /nfs/dbraw/zinc/95/85/81/539958581.db2.gz MTMQULNLDUTEIH-QGZVFWFLSA-N 2 2 269.392 2.809 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000233479541 539958587 /nfs/dbraw/zinc/95/85/87/539958587.db2.gz MTMQULNLDUTEIH-QGZVFWFLSA-N 2 2 269.392 2.809 10 0 CFAELP C[C@@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)C[C@@H]1C[NH3+] ZINC000631840144 355603080 /nfs/dbraw/zinc/60/30/80/355603080.db2.gz PZMJPASJSNNQSB-PWSUYJOCSA-N 2 2 293.461 2.898 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)C[C@@H]1C[NH3+] ZINC000631840144 355603082 /nfs/dbraw/zinc/60/30/82/355603082.db2.gz PZMJPASJSNNQSB-PWSUYJOCSA-N 2 2 293.461 2.898 10 0 CFAELP O[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000252428796 540435857 /nfs/dbraw/zinc/43/58/57/540435857.db2.gz BDPGIJZGQXEEKZ-FGTMMUONSA-N 2 2 288.435 2.544 10 0 CFAELP O[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000252428796 540435859 /nfs/dbraw/zinc/43/58/59/540435859.db2.gz BDPGIJZGQXEEKZ-FGTMMUONSA-N 2 2 288.435 2.544 10 0 CFAELP CC(C)n1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000179855284 189223929 /nfs/dbraw/zinc/22/39/29/189223929.db2.gz UCJJFSUVBINLJH-HNNXBMFYSA-N 2 2 299.422 2.793 10 0 CFAELP CC(C)n1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000179855284 189223930 /nfs/dbraw/zinc/22/39/30/189223930.db2.gz UCJJFSUVBINLJH-HNNXBMFYSA-N 2 2 299.422 2.793 10 0 CFAELP CN(C)c1cc(CNc2cc[nH+]cc2Cl)cc[nH+]1 ZINC000301503938 201034303 /nfs/dbraw/zinc/03/43/03/201034303.db2.gz BZANACSLCIJNMP-UHFFFAOYSA-N 2 2 262.744 2.808 10 0 CFAELP Cc1nc(NC[C@H]2CCC[N@H+]2CC(C)C)c(C)c(C)[nH+]1 ZINC000301777621 201189622 /nfs/dbraw/zinc/18/96/22/201189622.db2.gz PIOVSCCBGSDZOB-OAHLLOKOSA-N 2 2 276.428 2.934 10 0 CFAELP Cc1nc(NC[C@H]2CCC[N@@H+]2CC(C)C)c(C)c(C)[nH+]1 ZINC000301777621 201189626 /nfs/dbraw/zinc/18/96/26/201189626.db2.gz PIOVSCCBGSDZOB-OAHLLOKOSA-N 2 2 276.428 2.934 10 0 CFAELP c1ccc2c(c1)OCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140895 372654069 /nfs/dbraw/zinc/65/40/69/372654069.db2.gz MGHAGGRGHHUPJG-INIZCTEOSA-N 2 2 272.392 2.727 10 0 CFAELP CCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccc(C)cc2)[nH+]1 ZINC000070455787 374179391 /nfs/dbraw/zinc/17/93/91/374179391.db2.gz WQVHALJWDVOCCO-AWEZNQCLSA-N 2 2 282.391 2.552 10 0 CFAELP CN(CC(C)(C)C[NH3+])c1cc(C(F)(F)F)cc[nH+]1 ZINC000093874728 375327671 /nfs/dbraw/zinc/32/76/71/375327671.db2.gz ZYBKRLDQDCJUTG-UHFFFAOYSA-N 2 2 261.291 2.522 10 0 CFAELP OCC[C@H]([NH2+]C1CC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000100282885 375618297 /nfs/dbraw/zinc/61/82/97/375618297.db2.gz YSMUWALXYCLLEY-ROUUACIJSA-N 2 2 288.435 2.544 10 0 CFAELP OCC[C@H]([NH2+]C1CC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000100282885 375618302 /nfs/dbraw/zinc/61/83/02/375618302.db2.gz YSMUWALXYCLLEY-ROUUACIJSA-N 2 2 288.435 2.544 10 0 CFAELP CC(C)[C@@H]([NH3+])CCN(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000133583809 377941827 /nfs/dbraw/zinc/94/18/27/377941827.db2.gz HXBCMHDSFMPBJZ-NSHDSACASA-N 2 2 275.318 2.910 10 0 CFAELP O[C@@H](C[NH2+][C@H]1CCCc2sccc21)C[NH+]1CCCCC1 ZINC000151314763 378316517 /nfs/dbraw/zinc/31/65/17/378316517.db2.gz KCKIWCPNNHVVEC-ZFWWWQNUSA-N 2 2 294.464 2.562 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000171613740 379355418 /nfs/dbraw/zinc/35/54/18/379355418.db2.gz BRIIOVMPOWREJU-CYBMUJFWSA-N 2 2 276.409 2.739 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000171613740 379355428 /nfs/dbraw/zinc/35/54/28/379355428.db2.gz BRIIOVMPOWREJU-CYBMUJFWSA-N 2 2 276.409 2.739 10 0 CFAELP Cc1cc[nH+]c(N[C@@H]2CC[C@@H](C[NH3+])C2)c1Br ZINC000335581101 379551738 /nfs/dbraw/zinc/55/17/38/379551738.db2.gz NGUIZYLGWIOSOC-NXEZZACHSA-N 2 2 284.201 2.692 10 0 CFAELP CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000175168126 380011891 /nfs/dbraw/zinc/01/18/91/380011891.db2.gz NZQXOWMXDXSXAB-CQSZACIVSA-N 2 2 274.412 2.583 10 0 CFAELP CC[N@H+]1CCC[C@@H]1CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000175168126 380011895 /nfs/dbraw/zinc/01/18/95/380011895.db2.gz NZQXOWMXDXSXAB-CQSZACIVSA-N 2 2 274.412 2.583 10 0 CFAELP CCC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1cccnc1 ZINC000185105847 381538006 /nfs/dbraw/zinc/53/80/06/381538006.db2.gz IYAMSZCQEIVINJ-HOTGVXAUSA-N 2 2 261.413 2.997 10 0 CFAELP CCC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1cccnc1 ZINC000185105847 381538010 /nfs/dbraw/zinc/53/80/10/381538010.db2.gz IYAMSZCQEIVINJ-HOTGVXAUSA-N 2 2 261.413 2.997 10 0 CFAELP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000187820745 382276838 /nfs/dbraw/zinc/27/68/38/382276838.db2.gz JEDHUWNHVLQOAP-IRXDYDNUSA-N 2 2 294.414 2.713 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000389288745 382614260 /nfs/dbraw/zinc/61/42/60/382614260.db2.gz WVZBWQUGWPCVNX-SIWZUTFBSA-N 2 2 262.372 2.756 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000389288745 382614262 /nfs/dbraw/zinc/61/42/62/382614262.db2.gz WVZBWQUGWPCVNX-SIWZUTFBSA-N 2 2 262.372 2.756 10 0 CFAELP C=Cn1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)cn1 ZINC000193916664 382729551 /nfs/dbraw/zinc/72/95/51/382729551.db2.gz YFFYKJZQDQJIHP-OAHLLOKOSA-N 2 2 285.395 2.580 10 0 CFAELP C=Cn1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)cn1 ZINC000193916664 382729553 /nfs/dbraw/zinc/72/95/53/382729553.db2.gz YFFYKJZQDQJIHP-OAHLLOKOSA-N 2 2 285.395 2.580 10 0 CFAELP [NH3+][C@@]1(c2ccsc2)CC[N@H+](Cc2ccccc2)C1 ZINC000575560674 382773840 /nfs/dbraw/zinc/77/38/40/382773840.db2.gz MHFWRMPBEQFREA-HNNXBMFYSA-N 2 2 258.390 2.808 10 0 CFAELP [NH3+][C@@]1(c2ccsc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000575560674 382773842 /nfs/dbraw/zinc/77/38/42/382773842.db2.gz MHFWRMPBEQFREA-HNNXBMFYSA-N 2 2 258.390 2.808 10 0 CFAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000336887290 382737734 /nfs/dbraw/zinc/73/77/34/382737734.db2.gz CVFGNHMIDMTEMF-ZBFHGGJFSA-N 2 2 262.397 2.830 10 0 CFAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000336887290 382737736 /nfs/dbraw/zinc/73/77/36/382737736.db2.gz CVFGNHMIDMTEMF-ZBFHGGJFSA-N 2 2 262.397 2.830 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000336905174 382740122 /nfs/dbraw/zinc/74/01/22/382740122.db2.gz WPAFIOXREDRDET-UTUOFQBUSA-N 2 2 264.335 2.791 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000336905174 382740125 /nfs/dbraw/zinc/74/01/25/382740125.db2.gz WPAFIOXREDRDET-UTUOFQBUSA-N 2 2 264.335 2.791 10 0 CFAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000247252407 383157122 /nfs/dbraw/zinc/15/71/22/383157122.db2.gz NPHHQVWKQMDAMM-YJBOKZPZSA-N 2 2 296.418 2.541 10 0 CFAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000247252407 383157129 /nfs/dbraw/zinc/15/71/29/383157129.db2.gz NPHHQVWKQMDAMM-YJBOKZPZSA-N 2 2 296.418 2.541 10 0 CFAELP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2F)C[C@@H]1C[NH3+] ZINC000634999145 383454922 /nfs/dbraw/zinc/45/49/22/383454922.db2.gz QPTFKKXQNXTFBX-ONGXEEELSA-N 2 2 256.752 2.506 10 0 CFAELP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2F)C[C@@H]1C[NH3+] ZINC000634999145 383454926 /nfs/dbraw/zinc/45/49/26/383454926.db2.gz QPTFKKXQNXTFBX-ONGXEEELSA-N 2 2 256.752 2.506 10 0 CFAELP Cc1cc(Cl)cc(C)c1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261979041 383589877 /nfs/dbraw/zinc/58/98/77/383589877.db2.gz JASLCAVAHKDSOW-SMDDNHRTSA-N 2 2 252.789 2.736 10 0 CFAELP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261979041 383589880 /nfs/dbraw/zinc/58/98/80/383589880.db2.gz JASLCAVAHKDSOW-SMDDNHRTSA-N 2 2 252.789 2.736 10 0 CFAELP C[C@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)C[C@H]1[NH3+] ZINC000261999323 383592354 /nfs/dbraw/zinc/59/23/54/383592354.db2.gz LDMOOGTVRCXJOF-SUMWQHHRSA-N 2 2 267.376 2.528 10 0 CFAELP C[C@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)C[C@H]1[NH3+] ZINC000261999323 383592359 /nfs/dbraw/zinc/59/23/59/383592359.db2.gz LDMOOGTVRCXJOF-SUMWQHHRSA-N 2 2 267.376 2.528 10 0 CFAELP Cc1cc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc(C)c1OC(F)F ZINC000262098574 383605174 /nfs/dbraw/zinc/60/51/74/383605174.db2.gz VJMOTXLPXGCJAG-WCQYABFASA-N 2 2 284.350 2.684 10 0 CFAELP Cc1cc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc(C)c1OC(F)F ZINC000262098574 383605182 /nfs/dbraw/zinc/60/51/82/383605182.db2.gz VJMOTXLPXGCJAG-WCQYABFASA-N 2 2 284.350 2.684 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(-c4cccs4)on3)C[C@H]12 ZINC000261756421 383554097 /nfs/dbraw/zinc/55/40/97/383554097.db2.gz NIMHPIIOZJTPGB-KGYLQXTDSA-N 2 2 289.404 2.572 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-c4cccs4)on3)C[C@H]12 ZINC000261756421 383554102 /nfs/dbraw/zinc/55/41/02/383554102.db2.gz NIMHPIIOZJTPGB-KGYLQXTDSA-N 2 2 289.404 2.572 10 0 CFAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000531706418 383907797 /nfs/dbraw/zinc/90/77/97/383907797.db2.gz VINDJUXLQSFONZ-KBRIMQKVSA-N 2 2 258.409 2.994 10 0 CFAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000531706418 383907805 /nfs/dbraw/zinc/90/78/05/383907805.db2.gz VINDJUXLQSFONZ-KBRIMQKVSA-N 2 2 258.409 2.994 10 0 CFAELP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1F ZINC000299805569 393463855 /nfs/dbraw/zinc/46/38/55/393463855.db2.gz VETUDDLKHANBAF-RDJZCZTQSA-N 2 2 270.351 2.752 10 0 CFAELP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1F ZINC000299805569 393463859 /nfs/dbraw/zinc/46/38/59/393463859.db2.gz VETUDDLKHANBAF-RDJZCZTQSA-N 2 2 270.351 2.752 10 0 CFAELP CC[NH+](CC)CCC[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000246217175 393855159 /nfs/dbraw/zinc/85/51/59/393855159.db2.gz POCXUTRAJOKUFM-OAGGEKHMSA-N 2 2 296.455 2.524 10 0 CFAELP CC[NH+](CC)CCC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000246217175 393855161 /nfs/dbraw/zinc/85/51/61/393855161.db2.gz POCXUTRAJOKUFM-OAGGEKHMSA-N 2 2 296.455 2.524 10 0 CFAELP CCc1[nH+]c(C(C)C)nc(N2CCC(C[NH3+])CC2)c1C ZINC000073684723 134444808 /nfs/dbraw/zinc/44/48/08/134444808.db2.gz BYDWULLYRFVEBB-UHFFFAOYSA-N 2 2 276.428 2.646 10 0 CFAELP C(C[NH+]1CCCCC1)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000125009669 394000490 /nfs/dbraw/zinc/00/04/90/394000490.db2.gz FCZYCQKWBRRHIC-HOTGVXAUSA-N 2 2 266.429 2.506 10 0 CFAELP C(C[NH+]1CCCCC1)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000125009669 394000492 /nfs/dbraw/zinc/00/04/92/394000492.db2.gz FCZYCQKWBRRHIC-HOTGVXAUSA-N 2 2 266.429 2.506 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000129297748 394086236 /nfs/dbraw/zinc/08/62/36/394086236.db2.gz JDKYJTAVACJKEU-GOEBONIOSA-N 2 2 262.372 2.887 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000129297748 394086240 /nfs/dbraw/zinc/08/62/40/394086240.db2.gz JDKYJTAVACJKEU-GOEBONIOSA-N 2 2 262.372 2.887 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000129297980 394086256 /nfs/dbraw/zinc/08/62/56/394086256.db2.gz JDKYJTAVACJKEU-GDBMZVCRSA-N 2 2 262.372 2.887 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000129297980 394086258 /nfs/dbraw/zinc/08/62/58/394086258.db2.gz JDKYJTAVACJKEU-GDBMZVCRSA-N 2 2 262.372 2.887 10 0 CFAELP CC(C)[C@H]1CN(c2ccc([NH+](C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000083449844 135022626 /nfs/dbraw/zinc/02/26/26/135022626.db2.gz ZGMLSQHEGGLDSL-XJKSGUPXSA-N 2 2 261.413 2.575 10 0 CFAELP COCc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000185223596 543046931 /nfs/dbraw/zinc/04/69/31/543046931.db2.gz NZJHMPYBWQMFSC-QGZVFWFLSA-N 2 2 285.391 2.694 10 0 CFAELP COCc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000185223596 543046933 /nfs/dbraw/zinc/04/69/33/543046933.db2.gz NZJHMPYBWQMFSC-QGZVFWFLSA-N 2 2 285.391 2.694 10 0 CFAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC1CCOCC1 ZINC000390789780 397543838 /nfs/dbraw/zinc/54/38/38/397543838.db2.gz FDYXBTCOSLXGHQ-INIZCTEOSA-N 2 2 290.451 2.913 10 0 CFAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC1CCOCC1 ZINC000390789780 397543844 /nfs/dbraw/zinc/54/38/44/397543844.db2.gz FDYXBTCOSLXGHQ-INIZCTEOSA-N 2 2 290.451 2.913 10 0 CFAELP C=Cn1c(C[NH+]2CCOCC2)cc2c1[C@H](C)C[N@H+](C)[C@H]2C ZINC000257353346 397629216 /nfs/dbraw/zinc/62/92/16/397629216.db2.gz QQAZTDNFDBEHRQ-KGLIPLIRSA-N 2 2 289.423 2.531 10 0 CFAELP C=Cn1c(C[NH+]2CCOCC2)cc2c1[C@H](C)C[N@@H+](C)[C@H]2C ZINC000257353346 397629218 /nfs/dbraw/zinc/62/92/18/397629218.db2.gz QQAZTDNFDBEHRQ-KGLIPLIRSA-N 2 2 289.423 2.531 10 0 CFAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C12CCC2 ZINC000087710129 286288589 /nfs/dbraw/zinc/28/85/89/286288589.db2.gz CTJRRAQORSRXHI-ARFHVFGLSA-N 2 2 282.472 2.900 10 0 CFAELP COc1ccc(C)cc1C[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261572292 286292993 /nfs/dbraw/zinc/29/29/93/286292993.db2.gz SQYPBUOGOCZEDD-ZFWWWQNUSA-N 2 2 262.397 2.563 10 0 CFAELP COc1ccc(C)cc1C[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261572292 286292994 /nfs/dbraw/zinc/29/29/94/286292994.db2.gz SQYPBUOGOCZEDD-ZFWWWQNUSA-N 2 2 262.397 2.563 10 0 CFAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000151325187 287031939 /nfs/dbraw/zinc/03/19/39/287031939.db2.gz IUZAPUMKRLBQAS-CZUORRHYSA-N 2 2 296.842 2.837 10 0 CFAELP Cc1[nH+]c2ccccc2n1Cc1cccc(C[NH3+])c1 ZINC000019404556 170786130 /nfs/dbraw/zinc/78/61/30/170786130.db2.gz HLMVSTRXNWSPNA-UHFFFAOYSA-N 2 2 251.333 2.852 10 0 CFAELP CSCCC[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000020186741 171051021 /nfs/dbraw/zinc/05/10/21/171051021.db2.gz OCDBCZNRCHPAGF-UHFFFAOYSA-N 2 2 263.410 2.687 10 0 CFAELP C[N@H+](CCc1ccccc1)[C@H](C[NH3+])c1ccccc1 ZINC000020225411 171087969 /nfs/dbraw/zinc/08/79/69/171087969.db2.gz PTTIZYTVEYZZDO-QGZVFWFLSA-N 2 2 254.377 2.861 10 0 CFAELP C[N@@H+](CCc1ccccc1)[C@H](C[NH3+])c1ccccc1 ZINC000020225411 171087972 /nfs/dbraw/zinc/08/79/72/171087972.db2.gz PTTIZYTVEYZZDO-QGZVFWFLSA-N 2 2 254.377 2.861 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+](C)CCc2ccccc2)cc1 ZINC000020225887 171089803 /nfs/dbraw/zinc/08/98/03/171089803.db2.gz BPJMXDZSIGLIJK-SFHVURJKSA-N 2 2 284.403 2.870 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)CCc2ccccc2)cc1 ZINC000020225887 171089805 /nfs/dbraw/zinc/08/98/05/171089805.db2.gz BPJMXDZSIGLIJK-SFHVURJKSA-N 2 2 284.403 2.870 10 0 CFAELP CCCOc1ccc([C@H](C[NH3+])[N@H+](C)CCC)cc1 ZINC000020226551 171091343 /nfs/dbraw/zinc/09/13/43/171091343.db2.gz WAZDJHRYKNLLDC-HNNXBMFYSA-N 2 2 250.386 2.817 10 0 CFAELP CCCOc1ccc([C@H](C[NH3+])[N@@H+](C)CCC)cc1 ZINC000020226551 171091345 /nfs/dbraw/zinc/09/13/45/171091345.db2.gz WAZDJHRYKNLLDC-HNNXBMFYSA-N 2 2 250.386 2.817 10 0 CFAELP CC(C)Oc1ccc([C@H](C[NH3+])[N@H+](C)CC2CC2)cc1 ZINC000020226587 171091619 /nfs/dbraw/zinc/09/16/19/171091619.db2.gz ILKJSGHAIUPODG-INIZCTEOSA-N 2 2 262.397 2.815 10 0 CFAELP CC(C)Oc1ccc([C@H](C[NH3+])[N@@H+](C)CC2CC2)cc1 ZINC000020226587 171091620 /nfs/dbraw/zinc/09/16/20/171091620.db2.gz ILKJSGHAIUPODG-INIZCTEOSA-N 2 2 262.397 2.815 10 0 CFAELP C[C@@H](c1ccccc1OC(F)F)[NH+]1CCC([NH3+])CC1 ZINC000020521428 171234819 /nfs/dbraw/zinc/23/48/19/171234819.db2.gz HKNDKVQGGIXRTJ-JTQLQIEISA-N 2 2 270.323 2.772 10 0 CFAELP [NH3+]C[C@@H](c1cnn(-c2ccccc2)c1)[NH+]1CCCCCC1 ZINC000022161927 171364123 /nfs/dbraw/zinc/36/41/23/171364123.db2.gz REIYPYRCFFYFPA-KRWDZBQOSA-N 2 2 284.407 2.748 10 0 CFAELP CC(C)[N@H+](C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000022172283 171368921 /nfs/dbraw/zinc/36/89/21/171368921.db2.gz OBDKJYTWDOBLQR-LBPRGKRZSA-N 2 2 271.202 2.789 10 0 CFAELP CC(C)[N@@H+](C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000022172283 171368922 /nfs/dbraw/zinc/36/89/22/171368922.db2.gz OBDKJYTWDOBLQR-LBPRGKRZSA-N 2 2 271.202 2.789 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cccc(OC(F)F)c1 ZINC000035503571 172237315 /nfs/dbraw/zinc/23/73/15/172237315.db2.gz PBNPZDLQQMDLQK-NSHDSACASA-N 2 2 267.279 2.514 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)Cc1c(F)cccc1Cl ZINC000035503697 172237536 /nfs/dbraw/zinc/23/75/36/172237536.db2.gz PDAOJPMLHFXYFE-VIFPVBQESA-N 2 2 267.735 2.575 10 0 CFAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)Cc1ccc(F)cc1 ZINC000035586574 172285692 /nfs/dbraw/zinc/28/56/92/172285692.db2.gz NSIYKMXLZCPVJQ-CQSZACIVSA-N 2 2 261.344 2.702 10 0 CFAELP [NH3+]CCCc1[nH]cc(-c2ccccc2Br)[nH+]1 ZINC000036876220 172772064 /nfs/dbraw/zinc/77/20/64/172772064.db2.gz CWMIWQFPGXAGNU-UHFFFAOYSA-N 2 2 280.169 2.731 10 0 CFAELP CCc1ccc([C@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174475 173008596 /nfs/dbraw/zinc/00/85/96/173008596.db2.gz PCTXKAUQMODRON-CABCVRRESA-N 2 2 264.438 2.686 10 0 CFAELP CCc1ccc([C@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174475 173008599 /nfs/dbraw/zinc/00/85/99/173008599.db2.gz PCTXKAUQMODRON-CABCVRRESA-N 2 2 264.438 2.686 10 0 CFAELP CC[C@@H](C)C[C@@](CC)(C[NH3+])[NH+]1CCC(OC)CC1 ZINC000037265977 173074592 /nfs/dbraw/zinc/07/45/92/173074592.db2.gz ATRHKKMGTVLQJL-HIFRSBDPSA-N 2 2 256.434 2.641 10 0 CFAELP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1nccn1C(F)F ZINC000037302546 173108279 /nfs/dbraw/zinc/10/82/79/173108279.db2.gz YQYVCMXCXNMGFX-LBPRGKRZSA-N 2 2 286.370 2.632 10 0 CFAELP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1nccn1C(F)F ZINC000037302546 173108280 /nfs/dbraw/zinc/10/82/80/173108280.db2.gz YQYVCMXCXNMGFX-LBPRGKRZSA-N 2 2 286.370 2.632 10 0 CFAELP Cc1ncsc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037318661 173119130 /nfs/dbraw/zinc/11/91/30/173119130.db2.gz JISSFRUEFNTSGT-NSHDSACASA-N 2 2 265.426 2.729 10 0 CFAELP CCC[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363878 173152272 /nfs/dbraw/zinc/15/22/72/173152272.db2.gz JXHSYWJYIDUHEC-DOMZBBRYSA-N 2 2 262.397 2.742 10 0 CFAELP CCC[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363878 173152274 /nfs/dbraw/zinc/15/22/74/173152274.db2.gz JXHSYWJYIDUHEC-DOMZBBRYSA-N 2 2 262.397 2.742 10 0 CFAELP CCC[N@H+](C(C)C)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363768 173152894 /nfs/dbraw/zinc/15/28/94/173152894.db2.gz PAQJYAGSZSCELB-OAHLLOKOSA-N 2 2 262.397 2.742 10 0 CFAELP CCC[N@@H+](C(C)C)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363768 173152895 /nfs/dbraw/zinc/15/28/95/173152895.db2.gz PAQJYAGSZSCELB-OAHLLOKOSA-N 2 2 262.397 2.742 10 0 CFAELP CC[N@H+](Cc1cccc(F)c1F)C1CC[NH2+]CC1 ZINC000037538849 173258708 /nfs/dbraw/zinc/25/87/08/173258708.db2.gz HFIYHUUIRPWTAO-UHFFFAOYSA-N 2 2 254.324 2.539 10 0 CFAELP CC[N@@H+](Cc1cccc(F)c1F)C1CC[NH2+]CC1 ZINC000037538849 173258710 /nfs/dbraw/zinc/25/87/10/173258710.db2.gz HFIYHUUIRPWTAO-UHFFFAOYSA-N 2 2 254.324 2.539 10 0 CFAELP C[C@@H](C[NH2+][C@H]1COc2cc(O)ccc21)C[NH+]1CCCCC1 ZINC000038041826 174043645 /nfs/dbraw/zinc/04/36/45/174043645.db2.gz KJZSWZOKJODFCQ-BBRMVZONSA-N 2 2 290.407 2.537 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+](C)C2CC2)cc1Br ZINC000038052094 174063388 /nfs/dbraw/zinc/06/33/88/174063388.db2.gz QKZUYXSYBFAIOO-LBPRGKRZSA-N 2 2 299.212 2.552 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)C2CC2)cc1Br ZINC000038052094 174063389 /nfs/dbraw/zinc/06/33/89/174063389.db2.gz QKZUYXSYBFAIOO-LBPRGKRZSA-N 2 2 299.212 2.552 10 0 CFAELP Cc1ccc(C[NH2+]CC[NH2+]Cc2ccccc2)cc1 ZINC000038599494 174149076 /nfs/dbraw/zinc/14/90/76/174149076.db2.gz YSCGRFIKSDUJOI-UHFFFAOYSA-N 2 2 254.377 2.874 10 0 CFAELP CCOc1ccc([C@H](C[NH3+])[NH+]2CCCCCC2)cc1 ZINC000038827580 174156595 /nfs/dbraw/zinc/15/65/95/174156595.db2.gz LFDFLWIJSDIACU-INIZCTEOSA-N 2 2 262.397 2.961 10 0 CFAELP CCOc1ccccc1[C@H](C[NH3+])[NH+]1CCCCCC1 ZINC000038860890 174157853 /nfs/dbraw/zinc/15/78/53/174157853.db2.gz KXPYNNJXVQJDNU-HNNXBMFYSA-N 2 2 262.397 2.961 10 0 CFAELP CC[NH+](CC)[C@@H](C[NH3+])c1ccc(OC(C)C)cc1 ZINC000038983683 174161466 /nfs/dbraw/zinc/16/14/66/174161466.db2.gz NPBYYXOJMRURJV-HNNXBMFYSA-N 2 2 250.386 2.815 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000039789173 174173451 /nfs/dbraw/zinc/17/34/51/174173451.db2.gz FKMCHCAFMDZKOM-DVOMOZLQSA-N 2 2 292.423 2.967 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000039789173 174173453 /nfs/dbraw/zinc/17/34/53/174173453.db2.gz FKMCHCAFMDZKOM-DVOMOZLQSA-N 2 2 292.423 2.967 10 0 CFAELP [NH3+]C[C@H](n1cc[nH+]c1-c1ccccc1)C(F)(F)F ZINC000040228228 174208470 /nfs/dbraw/zinc/20/84/70/174208470.db2.gz WFYFLUKKQMCEES-JTQLQIEISA-N 2 2 255.243 2.612 10 0 CFAELP CCOCCn1c2cc(Cl)ccc2[nH+]c1CCC[NH3+] ZINC000040405325 174254007 /nfs/dbraw/zinc/25/40/07/174254007.db2.gz GNHDUDINHGJDRW-UHFFFAOYSA-N 2 2 281.787 2.618 10 0 CFAELP Cc1cccc(CC[C@H](C)[NH2+][C@H]2C[NH+]3CCC2CC3)c1 ZINC000040500460 174296840 /nfs/dbraw/zinc/29/68/40/174296840.db2.gz GXPQBNDXXUJENJ-YJBOKZPZSA-N 2 2 272.436 3.000 10 0 CFAELP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2C[NH+]3CCC2CC3)c1 ZINC000040500458 174296907 /nfs/dbraw/zinc/29/69/07/174296907.db2.gz GXPQBNDXXUJENJ-MAUKXSAKSA-N 2 2 272.436 3.000 10 0 CFAELP C[C@H]([NH2+]CCc1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000040638782 174362755 /nfs/dbraw/zinc/36/27/55/174362755.db2.gz YNOQSNBKBBEDMK-JTQLQIEISA-N 2 2 265.307 2.592 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+]Cc1ccccc1Br ZINC000040638884 174362939 /nfs/dbraw/zinc/36/29/39/174362939.db2.gz OMHRVQZLJISJMG-UHFFFAOYSA-N 2 2 294.196 2.515 10 0 CFAELP C[C@H]([NH2+]CCc1[nH+]ccn1C)c1cc(F)ccc1F ZINC000040638803 174363040 /nfs/dbraw/zinc/36/30/40/174363040.db2.gz IKMPHLBEISXBSG-JTQLQIEISA-N 2 2 265.307 2.592 10 0 CFAELP CC[N@H+]([C@H](C[NH3+])c1cccc(OC(C)C)c1)C1CC1 ZINC000040640991 174364423 /nfs/dbraw/zinc/36/44/23/174364423.db2.gz GQZJNKXEEORJEP-MRXNPFEDSA-N 2 2 262.397 2.958 10 0 CFAELP CC[N@@H+]([C@H](C[NH3+])c1cccc(OC(C)C)c1)C1CC1 ZINC000040640991 174364425 /nfs/dbraw/zinc/36/44/25/174364425.db2.gz GQZJNKXEEORJEP-MRXNPFEDSA-N 2 2 262.397 2.958 10 0 CFAELP COc1ccc([C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000040673020 174371288 /nfs/dbraw/zinc/37/12/88/174371288.db2.gz GUZOAXFYPKADPN-NVXWUHKLSA-N 2 2 274.408 2.830 10 0 CFAELP COc1ccc([C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C2CC2)cc1 ZINC000040673020 174371289 /nfs/dbraw/zinc/37/12/89/174371289.db2.gz GUZOAXFYPKADPN-NVXWUHKLSA-N 2 2 274.408 2.830 10 0 CFAELP CCC[N@H+](Cc1nccn1C(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748564 174393797 /nfs/dbraw/zinc/39/37/97/174393797.db2.gz OPCUMROIIMGLKC-FUNVUKJBSA-N 2 2 298.381 2.773 10 0 CFAELP CCC[N@@H+](Cc1nccn1C(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748564 174393798 /nfs/dbraw/zinc/39/37/98/174393798.db2.gz OPCUMROIIMGLKC-FUNVUKJBSA-N 2 2 298.381 2.773 10 0 CFAELP COCC[N@H+]([C@@H](c1cccc(Cl)c1)[C@@H](C)[NH3+])C1CC1 ZINC000043015614 174941854 /nfs/dbraw/zinc/94/18/54/174941854.db2.gz VJQHBZVOBXWCLY-IAQYHMDHSA-N 2 2 282.815 2.839 10 0 CFAELP COCC[N@@H+]([C@@H](c1cccc(Cl)c1)[C@@H](C)[NH3+])C1CC1 ZINC000043015614 174941855 /nfs/dbraw/zinc/94/18/55/174941855.db2.gz VJQHBZVOBXWCLY-IAQYHMDHSA-N 2 2 282.815 2.839 10 0 CFAELP CCC(CC)[N@H+](CCOC)[C@@H]([C@@H](C)[NH3+])C(C)(C)C ZINC000043306250 175003242 /nfs/dbraw/zinc/00/32/42/175003242.db2.gz WSWMCHDMXZTUIL-OCCSQVGLSA-N 2 2 258.450 2.885 10 0 CFAELP CCC(CC)[N@@H+](CCOC)[C@@H]([C@@H](C)[NH3+])C(C)(C)C ZINC000043306250 175003243 /nfs/dbraw/zinc/00/32/43/175003243.db2.gz WSWMCHDMXZTUIL-OCCSQVGLSA-N 2 2 258.450 2.885 10 0 CFAELP Cc1cccc([C@@H](C[NH3+])[NH+]2CCC(C[NH+](C)C)CC2)c1C ZINC000043314983 175004455 /nfs/dbraw/zinc/00/44/55/175004455.db2.gz LVHJBMIOVXXSKJ-GOSISDBHSA-N 3 2 289.467 2.577 10 0 CFAELP COCC[N@H+](CC(C)C)[C@H](C[NH3+])c1cccc(C)c1C ZINC000043314979 175004470 /nfs/dbraw/zinc/00/44/70/175004470.db2.gz MSNPZGOQOHVXIU-QGZVFWFLSA-N 2 2 278.440 2.908 10 0 CFAELP COCC[N@@H+](CC(C)C)[C@H](C[NH3+])c1cccc(C)c1C ZINC000043314979 175004471 /nfs/dbraw/zinc/00/44/71/175004471.db2.gz MSNPZGOQOHVXIU-QGZVFWFLSA-N 2 2 278.440 2.908 10 0 CFAELP CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000043326311 175007589 /nfs/dbraw/zinc/00/75/89/175007589.db2.gz IAMBVBGZRBKBHB-UKRRQHHQSA-N 2 2 262.397 2.876 10 0 CFAELP CCOC1CC[NH+]([C@H](c2ccco2)[C@@H]([NH3+])CC)CC1 ZINC000043335492 175011084 /nfs/dbraw/zinc/01/10/84/175011084.db2.gz LHAZBGPAQYXFJL-ZFWWWQNUSA-N 2 2 266.385 2.559 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@H+](C)CCc1ccncc1 ZINC000043335420 175011458 /nfs/dbraw/zinc/01/14/58/175011458.db2.gz NUZHKNQPOBTYOD-GDBMZVCRSA-N 2 2 273.380 2.628 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+](C)CCc1ccncc1 ZINC000043335420 175011459 /nfs/dbraw/zinc/01/14/59/175011459.db2.gz NUZHKNQPOBTYOD-GDBMZVCRSA-N 2 2 273.380 2.628 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@H+](CCO)C1CCCCC1 ZINC000043336140 175012280 /nfs/dbraw/zinc/01/22/80/175012280.db2.gz PGHXHFBQXRWWKS-GDBMZVCRSA-N 2 2 280.412 2.685 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+](CCO)C1CCCCC1 ZINC000043336140 175012281 /nfs/dbraw/zinc/01/22/81/175012281.db2.gz PGHXHFBQXRWWKS-GDBMZVCRSA-N 2 2 280.412 2.685 10 0 CFAELP CCC(CC)[N@@H+](CCO)[C@H](c1ccco1)[C@H]([NH3+])CC ZINC000043336130 175012361 /nfs/dbraw/zinc/01/23/61/175012361.db2.gz CFZCHOJOFHCTCH-HIFRSBDPSA-N 2 2 268.401 2.541 10 0 CFAELP CCC(CC)[N@H+](CCO)[C@H](c1ccco1)[C@H]([NH3+])CC ZINC000043336130 175012362 /nfs/dbraw/zinc/01/23/62/175012362.db2.gz CFZCHOJOFHCTCH-HIFRSBDPSA-N 2 2 268.401 2.541 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043338889 175013075 /nfs/dbraw/zinc/01/30/75/175013075.db2.gz CBQTUQBSLUDHHV-FQLMCAECSA-N 2 2 261.413 2.838 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043338889 175013077 /nfs/dbraw/zinc/01/30/77/175013077.db2.gz CBQTUQBSLUDHHV-FQLMCAECSA-N 2 2 261.413 2.838 10 0 CFAELP CCOC1CC[NH+]([C@@H](c2ccc(C)o2)[C@H]([NH3+])CC)CC1 ZINC000043364579 175025861 /nfs/dbraw/zinc/02/58/61/175025861.db2.gz BTSUBGBNKLZXIX-GDBMZVCRSA-N 2 2 280.412 2.867 10 0 CFAELP Cc1ccc([C@@H](C[NH3+])n2c(C)[nH+]c3ccccc32)o1 ZINC000043365474 175027338 /nfs/dbraw/zinc/02/73/38/175027338.db2.gz RTURQYWPINEXOC-CQSZACIVSA-N 2 2 255.321 2.794 10 0 CFAELP C[N@H+](Cc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000043501462 175058537 /nfs/dbraw/zinc/05/85/37/175058537.db2.gz CXTJIYGQHSVEGA-ZDUSSCGKSA-N 2 2 283.213 2.633 10 0 CFAELP C[N@@H+](Cc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000043501462 175058539 /nfs/dbraw/zinc/05/85/39/175058539.db2.gz CXTJIYGQHSVEGA-ZDUSSCGKSA-N 2 2 283.213 2.633 10 0 CFAELP CC(C)[NH2+]CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000043501074 175058647 /nfs/dbraw/zinc/05/86/47/175058647.db2.gz LDOBGFWCCLUMIY-NSHDSACASA-N 2 2 252.324 2.649 10 0 CFAELP CC(C)[NH2+]CCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000043501074 175058649 /nfs/dbraw/zinc/05/86/49/175058649.db2.gz LDOBGFWCCLUMIY-NSHDSACASA-N 2 2 252.324 2.649 10 0 CFAELP COCC[N@H+]([C@@H](C[NH3+])C[C@@H](C)c1ccccc1)C1CC1 ZINC000043535032 175063475 /nfs/dbraw/zinc/06/34/75/175063475.db2.gz SWSMOBHWMWZSST-RHSMWYFYSA-N 2 2 276.424 2.618 10 0 CFAELP COCC[N@@H+]([C@@H](C[NH3+])C[C@@H](C)c1ccccc1)C1CC1 ZINC000043535032 175063476 /nfs/dbraw/zinc/06/34/76/175063476.db2.gz SWSMOBHWMWZSST-RHSMWYFYSA-N 2 2 276.424 2.618 10 0 CFAELP C([C@@H]1C[NH2+]CCO1)[NH+](C1CCCCC1)C1CCCCC1 ZINC000043801890 175106833 /nfs/dbraw/zinc/10/68/33/175106833.db2.gz SNZFKSKJGHVGCN-KRWDZBQOSA-N 2 2 280.456 2.942 10 0 CFAELP CCC[NH2+][C@H](C[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000043807685 175108908 /nfs/dbraw/zinc/10/89/08/175108908.db2.gz VTEOPLHWPVHUHF-OAHLLOKOSA-N 2 2 290.407 2.594 10 0 CFAELP CCCC[NH+](CCCC)[C@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043819457 175114120 /nfs/dbraw/zinc/11/41/20/175114120.db2.gz PPXTVPFDYSJHTG-HOTGVXAUSA-N 2 2 298.471 2.772 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@@H+]1CCOC[C@@H]1CC ZINC000043899231 175121937 /nfs/dbraw/zinc/12/19/37/175121937.db2.gz IUHMFPIFXOVSGR-SOUVJXGZSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@H+]1CCOC[C@@H]1CC ZINC000043899231 175121938 /nfs/dbraw/zinc/12/19/38/175121938.db2.gz IUHMFPIFXOVSGR-SOUVJXGZSA-N 2 2 256.434 2.654 10 0 CFAELP CC[NH2+][C@H](C[N@H+](C)CCc1ccncc1)C(C)(C)C ZINC000043902057 175122309 /nfs/dbraw/zinc/12/23/09/175122309.db2.gz AQJSNIUQEGNSHV-OAHLLOKOSA-N 2 2 263.429 2.580 10 0 CFAELP CC[NH2+][C@H](C[N@@H+](C)CCc1ccncc1)C(C)(C)C ZINC000043902057 175122310 /nfs/dbraw/zinc/12/23/10/175122310.db2.gz AQJSNIUQEGNSHV-OAHLLOKOSA-N 2 2 263.429 2.580 10 0 CFAELP CCC[NH2+][C@@H](CC)[C@H](C)[N@H+](C)CCc1ccncc1 ZINC000043902267 175122511 /nfs/dbraw/zinc/12/25/11/175122511.db2.gz QSHIXLYAOPWXKL-HOCLYGCPSA-N 2 2 263.429 2.723 10 0 CFAELP CCC[NH2+][C@@H](CC)[C@H](C)[N@@H+](C)CCc1ccncc1 ZINC000043902267 175122512 /nfs/dbraw/zinc/12/25/12/175122512.db2.gz QSHIXLYAOPWXKL-HOCLYGCPSA-N 2 2 263.429 2.723 10 0 CFAELP CC[NH2+][C@@H](C[N@H+](C)CCc1ccncc1)C(C)(C)C ZINC000043902053 175122639 /nfs/dbraw/zinc/12/26/39/175122639.db2.gz AQJSNIUQEGNSHV-HNNXBMFYSA-N 2 2 263.429 2.580 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+](C)CCc1ccncc1)C(C)(C)C ZINC000043902053 175122641 /nfs/dbraw/zinc/12/26/41/175122641.db2.gz AQJSNIUQEGNSHV-HNNXBMFYSA-N 2 2 263.429 2.580 10 0 CFAELP CC[NH2+][C@H]1CCC[C@@H]1[N@H+](C)Cc1cccc(OC)c1 ZINC000043911908 175123778 /nfs/dbraw/zinc/12/37/78/175123778.db2.gz WNRHIIAVUNNHER-HOTGVXAUSA-N 2 2 262.397 2.658 10 0 CFAELP CC[NH2+][C@H]1CCC[C@@H]1[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911908 175123779 /nfs/dbraw/zinc/12/37/79/175123779.db2.gz WNRHIIAVUNNHER-HOTGVXAUSA-N 2 2 262.397 2.658 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043966023 175127377 /nfs/dbraw/zinc/12/73/77/175127377.db2.gz DTYKISYLNWLEIH-HYVNUMGLSA-N 2 2 276.424 2.837 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966023 175127379 /nfs/dbraw/zinc/12/73/79/175127379.db2.gz DTYKISYLNWLEIH-HYVNUMGLSA-N 2 2 276.424 2.837 10 0 CFAELP C[NH2+][C@@H](c1ccccc1)[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966351 175127775 /nfs/dbraw/zinc/12/77/75/175127775.db2.gz SOCYPVAOEVULQT-HYVNUMGLSA-N 2 2 276.424 2.837 10 0 CFAELP C[NH2+][C@@H](c1ccccc1)[C@@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966351 175127776 /nfs/dbraw/zinc/12/77/76/175127776.db2.gz SOCYPVAOEVULQT-HYVNUMGLSA-N 2 2 276.424 2.837 10 0 CFAELP CCC[NH2+][C@@H](CC)[C@@H](C)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966921 175127791 /nfs/dbraw/zinc/12/77/91/175127791.db2.gz KEGBTOSEOQLIAU-ILXRZTDVSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@@H](CC)[C@@H](C)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966921 175127792 /nfs/dbraw/zinc/12/77/92/175127792.db2.gz KEGBTOSEOQLIAU-ILXRZTDVSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966247 175127841 /nfs/dbraw/zinc/12/78/41/175127841.db2.gz YKQPJOPJSSNMFK-HRCADAONSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966247 175127842 /nfs/dbraw/zinc/12/78/42/175127842.db2.gz YKQPJOPJSSNMFK-HRCADAONSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966233 175128181 /nfs/dbraw/zinc/12/81/81/175128181.db2.gz CJTZNAPLHVROON-QXSJWSMHSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966233 175128182 /nfs/dbraw/zinc/12/81/82/175128182.db2.gz CJTZNAPLHVROON-QXSJWSMHSA-N 2 2 268.445 2.654 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@@H](C)[N@H+](C)[C@@H](C)COC ZINC000043969172 175130322 /nfs/dbraw/zinc/13/03/22/175130322.db2.gz TXJCYUIMHIJATK-LZWOXQAQSA-N 2 2 264.413 2.692 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@@H](C)[N@@H+](C)[C@@H](C)COC ZINC000043969172 175130323 /nfs/dbraw/zinc/13/03/23/175130323.db2.gz TXJCYUIMHIJATK-LZWOXQAQSA-N 2 2 264.413 2.692 10 0 CFAELP CC[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)[N@H+](C)[C@@H](C)COC ZINC000043969263 175130623 /nfs/dbraw/zinc/13/06/23/175130623.db2.gz PPZBFJUCKHKPDS-ZQIUZPCESA-N 2 2 294.439 2.701 10 0 CFAELP CC[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)[N@@H+](C)[C@@H](C)COC ZINC000043969263 175130625 /nfs/dbraw/zinc/13/06/25/175130625.db2.gz PPZBFJUCKHKPDS-ZQIUZPCESA-N 2 2 294.439 2.701 10 0 CFAELP CCCO[C@H]1CCC[N@@H+]([C@@H](C)[C@@H](CC)[NH2+]CC)C1 ZINC000043971238 175133001 /nfs/dbraw/zinc/13/30/01/175133001.db2.gz NFDJLDSNTGVIHR-SOUVJXGZSA-N 2 2 256.434 2.654 10 0 CFAELP CCCO[C@H]1CCC[N@H+]([C@@H](C)[C@@H](CC)[NH2+]CC)C1 ZINC000043971238 175133002 /nfs/dbraw/zinc/13/30/02/175133002.db2.gz NFDJLDSNTGVIHR-SOUVJXGZSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@@H]1c2ccccc2OC[C@@H]1n1cc[nH+]c1 ZINC000043992353 175135739 /nfs/dbraw/zinc/13/57/39/175135739.db2.gz GRGNSNITPJEFTO-DZGCQCFKSA-N 2 2 257.337 2.558 10 0 CFAELP CC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)n1cc[nH+]c1 ZINC000043993032 175135777 /nfs/dbraw/zinc/13/57/77/175135777.db2.gz NBEQOJXPMMFTCN-IUODEOHRSA-N 2 2 259.353 2.804 10 0 CFAELP C[NH2+][C@H](Cn1cc[nH+]c1C(C)C)c1cccc(OC)c1 ZINC000043997964 175137093 /nfs/dbraw/zinc/13/70/93/175137093.db2.gz ZLNMULUUECINRI-OAHLLOKOSA-N 2 2 273.380 2.976 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@H]1n1cc[nH+]c1-c1ccccc1 ZINC000044000261 175138005 /nfs/dbraw/zinc/13/80/05/175138005.db2.gz YRIGHPSZTIPRLB-HZPDHXFCSA-N 2 2 285.391 2.880 10 0 CFAELP CCc1ccc([C@@H](O)[C@H](C)[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121483 175143037 /nfs/dbraw/zinc/14/30/37/175143037.db2.gz ZMSINLKXNASKPY-KSSFIOAISA-N 2 2 290.451 2.697 10 0 CFAELP CCc1ccc([C@@H](O)[C@H](C)[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121483 175143039 /nfs/dbraw/zinc/14/30/39/175143039.db2.gz ZMSINLKXNASKPY-KSSFIOAISA-N 2 2 290.451 2.697 10 0 CFAELP COc1ccc(C)cc1[C@H](C)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539561 175200518 /nfs/dbraw/zinc/20/05/18/175200518.db2.gz LWKNYKCWSLBDEG-UONOGXRCSA-N 2 2 262.397 2.878 10 0 CFAELP COc1ccc(C)cc1[C@H](C)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539561 175200520 /nfs/dbraw/zinc/20/05/20/175200520.db2.gz LWKNYKCWSLBDEG-UONOGXRCSA-N 2 2 262.397 2.878 10 0 CFAELP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000044561438 175205171 /nfs/dbraw/zinc/20/51/71/175205171.db2.gz ZOZOTMUIXAIFCE-ZIAGYGMSSA-N 2 2 250.386 2.675 10 0 CFAELP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000044561438 175205172 /nfs/dbraw/zinc/20/51/72/175205172.db2.gz ZOZOTMUIXAIFCE-ZIAGYGMSSA-N 2 2 250.386 2.675 10 0 CFAELP CC(C)c1ccc([C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2C)cc1 ZINC000044562344 175205419 /nfs/dbraw/zinc/20/54/19/175205419.db2.gz OPZJBAZXSCWSES-QZTJIDSGSA-N 2 2 290.451 2.917 10 0 CFAELP CC(C)c1ccc([C@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2C)cc1 ZINC000044562344 175205420 /nfs/dbraw/zinc/20/54/20/175205420.db2.gz OPZJBAZXSCWSES-QZTJIDSGSA-N 2 2 290.451 2.917 10 0 CFAELP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(C)no2)C1 ZINC000044986360 175284316 /nfs/dbraw/zinc/28/43/16/175284316.db2.gz ZNYAGJXAPGEUPY-KGLIPLIRSA-N 2 2 265.401 2.583 10 0 CFAELP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(C)no2)C1 ZINC000044986360 175284317 /nfs/dbraw/zinc/28/43/17/175284317.db2.gz ZNYAGJXAPGEUPY-KGLIPLIRSA-N 2 2 265.401 2.583 10 0 CFAELP C[N@H+](CC(C)(C)C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000045069993 175300562 /nfs/dbraw/zinc/30/05/62/175300562.db2.gz CAOGXZPXEAEZQA-AWEZNQCLSA-N 2 2 262.397 2.599 10 0 CFAELP C[N@@H+](CC(C)(C)C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000045069993 175300563 /nfs/dbraw/zinc/30/05/63/175300563.db2.gz CAOGXZPXEAEZQA-AWEZNQCLSA-N 2 2 262.397 2.599 10 0 CFAELP CCC[NH2+][C@](C)(CCC[NH+]1CCCCCCC1)C(=O)OC ZINC000045371625 175364272 /nfs/dbraw/zinc/36/42/72/175364272.db2.gz HNHCBWLBFSTDDR-QGZVFWFLSA-N 2 2 298.471 2.964 10 0 CFAELP C[NH2+][C@@](C)(CCCC[NH+]1CCCCCCC1)C(=O)OC ZINC000045371419 175364388 /nfs/dbraw/zinc/36/43/88/175364388.db2.gz RXGKXBUZQKVTRB-INIZCTEOSA-N 2 2 284.444 2.574 10 0 CFAELP COC(=O)[C@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C(C)C ZINC000045373640 175365505 /nfs/dbraw/zinc/36/55/05/175365505.db2.gz QHBQLETUHPBMBN-UXLLHSPISA-N 2 2 298.471 2.674 10 0 CFAELP COC(=O)[C@](C)(CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C(C)C ZINC000045373640 175365507 /nfs/dbraw/zinc/36/55/07/175365507.db2.gz QHBQLETUHPBMBN-UXLLHSPISA-N 2 2 298.471 2.674 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[NH+]1CCC(C)CC1)C(=O)OCC ZINC000045374811 175365881 /nfs/dbraw/zinc/36/58/81/175365881.db2.gz XXISGBNFHHBQNQ-KRWDZBQOSA-N 2 2 298.471 2.820 10 0 CFAELP CC[NH2+][C@](C)(CCCC[NH+]1CCCCCC1)C(=O)OCC ZINC000045377457 175367260 /nfs/dbraw/zinc/36/72/60/175367260.db2.gz NVBKMUVXOOTPMI-QGZVFWFLSA-N 2 2 298.471 2.964 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[NH+]1CCCCCC1)C(=O)OC ZINC000045377452 175367281 /nfs/dbraw/zinc/36/72/81/175367281.db2.gz FHOBBXNVLPCECH-INIZCTEOSA-N 2 2 284.444 2.574 10 0 CFAELP COC(=O)[C@](C)(CCCC[N@H+](C)[C@@H](C)C(C)C)[NH2+]C1CC1 ZINC000045392038 175375916 /nfs/dbraw/zinc/37/59/16/175375916.db2.gz FBJZGCMXCKGXKO-YOEHRIQHSA-N 2 2 298.471 2.817 10 0 CFAELP COC(=O)[C@](C)(CCCC[N@@H+](C)[C@@H](C)C(C)C)[NH2+]C1CC1 ZINC000045392038 175375917 /nfs/dbraw/zinc/37/59/17/175375917.db2.gz FBJZGCMXCKGXKO-YOEHRIQHSA-N 2 2 298.471 2.817 10 0 CFAELP COc1ccc(C)cc1C[N@H+](CC[NH3+])C(C)(C)C ZINC000076655194 177045079 /nfs/dbraw/zinc/04/50/79/177045079.db2.gz NKHYGHAGIGPHMT-UHFFFAOYSA-N 2 2 250.386 2.563 10 0 CFAELP COc1ccc(C)cc1C[N@@H+](CC[NH3+])C(C)(C)C ZINC000076655194 177045081 /nfs/dbraw/zinc/04/50/81/177045081.db2.gz NKHYGHAGIGPHMT-UHFFFAOYSA-N 2 2 250.386 2.563 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C)C1 ZINC000395175533 270311360 /nfs/dbraw/zinc/31/13/60/270311360.db2.gz FYWXVRZTIGRTML-CQSZACIVSA-N 2 2 297.240 2.941 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C)C1 ZINC000395175533 270311362 /nfs/dbraw/zinc/31/13/62/270311362.db2.gz FYWXVRZTIGRTML-CQSZACIVSA-N 2 2 297.240 2.941 10 0 CFAELP C[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)[C@H]1C[NH3+] ZINC000252097517 274291323 /nfs/dbraw/zinc/29/13/23/274291323.db2.gz FSFUTQDFFSHEAK-DYVFJYSZSA-N 2 2 269.392 2.794 10 0 CFAELP C[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)[C@H]1C[NH3+] ZINC000252097517 274291325 /nfs/dbraw/zinc/29/13/25/274291325.db2.gz FSFUTQDFFSHEAK-DYVFJYSZSA-N 2 2 269.392 2.794 10 0 CFAELP C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)[C@@H]1C[NH3+] ZINC000070499646 274291483 /nfs/dbraw/zinc/29/14/83/274291483.db2.gz QPSQFJFSCHQPBT-CXAGYDPISA-N 2 2 258.409 2.735 10 0 CFAELP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)[C@@H]1C[NH3+] ZINC000070499646 274291484 /nfs/dbraw/zinc/29/14/84/274291484.db2.gz QPSQFJFSCHQPBT-CXAGYDPISA-N 2 2 258.409 2.735 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2N(C)C)C1 ZINC000245740841 276167968 /nfs/dbraw/zinc/16/79/68/276167968.db2.gz GEYGUJNKQPURSU-HUUCEWRRSA-N 2 2 275.440 2.888 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2N(C)C)C1 ZINC000245740841 276167969 /nfs/dbraw/zinc/16/79/69/276167969.db2.gz GEYGUJNKQPURSU-HUUCEWRRSA-N 2 2 275.440 2.888 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000249390692 281056878 /nfs/dbraw/zinc/05/68/78/281056878.db2.gz RVILXKAPNBRLMG-LSDHHAIUSA-N 2 2 277.412 2.652 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000249390692 281056881 /nfs/dbraw/zinc/05/68/81/281056881.db2.gz RVILXKAPNBRLMG-LSDHHAIUSA-N 2 2 277.412 2.652 10 0 CFAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccc(F)cc1F ZINC000396692425 281196649 /nfs/dbraw/zinc/19/66/49/281196649.db2.gz ZLKPNJUUXJQVBP-BHDSKKPTSA-N 2 2 254.324 2.756 10 0 CFAELP Clc1cccc(Cl)c1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398389982 281206451 /nfs/dbraw/zinc/20/64/51/281206451.db2.gz YWADFZZIGZCKRK-VIFPVBQESA-N 2 2 259.180 2.693 10 0 CFAELP CC1(C)Cc2cccc(C[N@@H+]3CCCC[C@H]3C[NH3+])c2O1 ZINC000080509990 281373493 /nfs/dbraw/zinc/37/34/93/281373493.db2.gz ZFHYTTOBOZQTRL-HNNXBMFYSA-N 2 2 274.408 2.713 10 0 CFAELP CC1(C)Cc2cccc(C[N@H+]3CCCC[C@H]3C[NH3+])c2O1 ZINC000080509990 281373494 /nfs/dbraw/zinc/37/34/94/281373494.db2.gz ZFHYTTOBOZQTRL-HNNXBMFYSA-N 2 2 274.408 2.713 10 0 CFAELP CC(C)C[C@@H](C[NH2+][C@H](C)Cc1ccco1)[NH+](C)C ZINC000062769807 519212410 /nfs/dbraw/zinc/21/24/10/519212410.db2.gz CAXRNPHDORSQNG-KGLIPLIRSA-N 2 2 252.402 2.777 10 0 CFAELP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H](C)CN1CCCC1 ZINC000049167710 519697809 /nfs/dbraw/zinc/69/78/09/519697809.db2.gz PDWRZTJFNXBFKA-XNHLSEOASA-N 2 2 293.499 2.569 10 0 CFAELP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H](C)CN1CCCC1 ZINC000049167710 519697810 /nfs/dbraw/zinc/69/78/10/519697810.db2.gz PDWRZTJFNXBFKA-XNHLSEOASA-N 2 2 293.499 2.569 10 0 CFAELP CC(C)[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374750 519722282 /nfs/dbraw/zinc/72/22/82/519722282.db2.gz DMJLAKGAHQEMEV-OAHLLOKOSA-N 2 2 293.430 2.724 10 0 CFAELP CC(C)[NH2+]Cc1c2ccccc2oc1C[NH+]1CCOCC1 ZINC000052377891 519726362 /nfs/dbraw/zinc/72/63/62/519726362.db2.gz ABPGRZFPCHYLJQ-UHFFFAOYSA-N 2 2 288.391 2.763 10 0 CFAELP CC(C)C[NH2+]C[C@H](C(C)C)[N@H+](C)Cc1ccncc1 ZINC000052480856 519745604 /nfs/dbraw/zinc/74/56/04/519745604.db2.gz RQYHBRHKHTZEIK-MRXNPFEDSA-N 2 2 263.429 2.784 10 0 CFAELP CC(C)C[NH2+]C[C@H](C(C)C)[N@@H+](C)Cc1ccncc1 ZINC000052480856 519745605 /nfs/dbraw/zinc/74/56/05/519745605.db2.gz RQYHBRHKHTZEIK-MRXNPFEDSA-N 2 2 263.429 2.784 10 0 CFAELP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)c1 ZINC000049149824 519748671 /nfs/dbraw/zinc/74/86/71/519748671.db2.gz NCFGDTVXDBYQFY-KBPBESRZSA-N 2 2 289.423 2.780 10 0 CFAELP CC(C)[C@@H]1C[N@H+](Cc2ccccc2F)CCC[NH2+]1 ZINC000062624014 519804673 /nfs/dbraw/zinc/80/46/73/519804673.db2.gz ASIWFCYWDDCLEQ-HNNXBMFYSA-N 2 2 250.361 2.646 10 0 CFAELP CC(C)[C@@H]1C[N@@H+](Cc2ccccc2F)CCC[NH2+]1 ZINC000062624014 519804674 /nfs/dbraw/zinc/80/46/74/519804674.db2.gz ASIWFCYWDDCLEQ-HNNXBMFYSA-N 2 2 250.361 2.646 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+]Cc1c[nH]c2ccccc12 ZINC000049591368 519814594 /nfs/dbraw/zinc/81/45/94/519814594.db2.gz JEZZHVLMKSCCJP-INIZCTEOSA-N 2 2 259.397 2.844 10 0 CFAELP CC(C)[C@H](C[NH2+]C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000052382845 519815806 /nfs/dbraw/zinc/81/58/06/519815806.db2.gz BXTAPXLBDDPRIC-AWEZNQCLSA-N 2 2 264.438 2.883 10 0 CFAELP CC(C)[C@H](C[NH2+]C1CC1)[N@H+]1CCc2sccc2C1 ZINC000052382845 519815807 /nfs/dbraw/zinc/81/58/07/519815807.db2.gz BXTAPXLBDDPRIC-AWEZNQCLSA-N 2 2 264.438 2.883 10 0 CFAELP CC[NH2+]C(C)(C)C[N@H+](C)Cc1cccc(OC)c1 ZINC000061299765 519908324 /nfs/dbraw/zinc/90/83/24/519908324.db2.gz ADYJGKOPDYQYQW-UHFFFAOYSA-N 2 2 250.386 2.515 10 0 CFAELP CC[NH2+]C(C)(C)C[N@@H+](C)Cc1cccc(OC)c1 ZINC000061299765 519908325 /nfs/dbraw/zinc/90/83/25/519908325.db2.gz ADYJGKOPDYQYQW-UHFFFAOYSA-N 2 2 250.386 2.515 10 0 CFAELP CCC[NH2+]CC[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418228 519919631 /nfs/dbraw/zinc/91/96/31/519919631.db2.gz ZLLGNSKSXIRVMB-HNNXBMFYSA-N 2 2 293.430 2.726 10 0 CFAELP CCC[NH2+]C[C@H](C)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418200 519931100 /nfs/dbraw/zinc/93/11/00/519931100.db2.gz UMUXVMFUVHKSIP-HNNXBMFYSA-N 2 2 293.430 2.583 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@H]1[NH+]1CCC(CCC)CC1 ZINC000050893681 520025667 /nfs/dbraw/zinc/02/56/67/520025667.db2.gz HSEYAUGHVVAUNY-HZPDHXFCSA-N 2 2 268.445 2.656 10 0 CFAELP CC[N@H+](C(C)C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596536 520137812 /nfs/dbraw/zinc/13/78/12/520137812.db2.gz QJPWMQWFQVFQIR-AWEZNQCLSA-N 2 2 250.386 2.734 10 0 CFAELP CC[N@@H+](C(C)C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596536 520137816 /nfs/dbraw/zinc/13/78/16/520137816.db2.gz QJPWMQWFQVFQIR-AWEZNQCLSA-N 2 2 250.386 2.734 10 0 CFAELP CCOCc1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000049328001 520215020 /nfs/dbraw/zinc/21/50/20/520215020.db2.gz NJUWRBSHRSNWIQ-UHFFFAOYSA-N 2 2 273.380 2.600 10 0 CFAELP CC1(C)CC[NH+]([C@H](C[NH3+])c2ccccc2F)CC1 ZINC000061818508 520382952 /nfs/dbraw/zinc/38/29/52/520382952.db2.gz QEVROFQISMQMMB-CQSZACIVSA-N 2 2 250.361 2.948 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000069430319 521308769 /nfs/dbraw/zinc/30/87/69/521308769.db2.gz ROVLMYIYVLJQRQ-CYBMUJFWSA-N 2 2 278.396 2.578 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000069430319 521308776 /nfs/dbraw/zinc/30/87/76/521308776.db2.gz ROVLMYIYVLJQRQ-CYBMUJFWSA-N 2 2 278.396 2.578 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000069430315 521309412 /nfs/dbraw/zinc/30/94/12/521309412.db2.gz ROVLMYIYVLJQRQ-ZDUSSCGKSA-N 2 2 278.396 2.578 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000069430315 521309417 /nfs/dbraw/zinc/30/94/17/521309417.db2.gz ROVLMYIYVLJQRQ-ZDUSSCGKSA-N 2 2 278.396 2.578 10 0 CFAELP CCn1cc(C[N@H+](CC)C2(C[NH3+])CCCCCC2)cn1 ZINC000050539268 521444129 /nfs/dbraw/zinc/44/41/29/521444129.db2.gz FVBAJCVFUWXQQZ-UHFFFAOYSA-N 2 2 278.444 2.777 10 0 CFAELP CCn1cc(C[N@@H+](CC)C2(C[NH3+])CCCCCC2)cn1 ZINC000050539268 521444136 /nfs/dbraw/zinc/44/41/36/521444136.db2.gz FVBAJCVFUWXQQZ-UHFFFAOYSA-N 2 2 278.444 2.777 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[NH+]1CCC(C)(C)CC1 ZINC000061818531 522343721 /nfs/dbraw/zinc/34/37/21/522343721.db2.gz LSEMCXFDSDACBP-DZGCQCFKSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@@H]1CO[C@@H](C)C[N@@H+]1[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052570743 523506953 /nfs/dbraw/zinc/50/69/53/523506953.db2.gz PUOPJZCPCXRSAO-XHSDSOJGSA-N 2 2 270.461 2.756 10 0 CFAELP CC[C@@H]1CO[C@@H](C)C[N@H+]1[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052570743 523506956 /nfs/dbraw/zinc/50/69/56/523506956.db2.gz PUOPJZCPCXRSAO-XHSDSOJGSA-N 2 2 270.461 2.756 10 0 CFAELP CCn1cc[nH+]c1Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000311907705 523547991 /nfs/dbraw/zinc/54/79/91/523547991.db2.gz QSHCUOKKECNZQM-NEPJUHHUSA-N 2 2 258.369 2.519 10 0 CFAELP C[C@H]1CCC[C@](C[NH2+]CCC[NH+]2CCCC2)([NH+](C)C)C1 ZINC000049332647 524223550 /nfs/dbraw/zinc/22/35/50/524223550.db2.gz MNMHDUBUNPFRFQ-IRXDYDNUSA-N 3 2 281.488 2.572 10 0 CFAELP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000061627502 524295059 /nfs/dbraw/zinc/29/50/59/524295059.db2.gz ZMBTYMWYZLUSBT-NSHDSACASA-N 2 2 272.314 2.889 10 0 CFAELP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000061627502 524295063 /nfs/dbraw/zinc/29/50/63/524295063.db2.gz ZMBTYMWYZLUSBT-NSHDSACASA-N 2 2 272.314 2.889 10 0 CFAELP C[C@H](C[NH+]1CCCCC1)[NH2+]CC1(O)CCCCCC1 ZINC000049501193 524333436 /nfs/dbraw/zinc/33/34/36/524333436.db2.gz RHCUYTAIUWPZEW-OAHLLOKOSA-N 2 2 268.445 2.536 10 0 CFAELP C[C@@H](CC[NH+](C)C)N[C@H](c1cccs1)c1[nH+]ccn1C ZINC000049554049 524479133 /nfs/dbraw/zinc/47/91/33/524479133.db2.gz KTUHBXOOEBHJQD-GXTWGEPZSA-N 2 2 292.452 2.501 10 0 CFAELP C[C@H](Cn1cc[nH+]c1)Nc1ccc(N)c2c[nH+]ccc12 ZINC000049234769 524795403 /nfs/dbraw/zinc/79/54/03/524795403.db2.gz ZCJRWMLESCDCRV-LLVKDONJSA-N 2 2 267.336 2.514 10 0 CFAELP C[C@@H]1C[N@H+](Cc2c(C[NH3+])sc3cccc(F)c32)CCO1 ZINC000052382445 524981924 /nfs/dbraw/zinc/98/19/24/524981924.db2.gz ZDXRALQQFMLBLQ-SNVBAGLBSA-N 2 2 294.395 2.720 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2c(C[NH3+])sc3cccc(F)c32)CCO1 ZINC000052382445 524981936 /nfs/dbraw/zinc/98/19/36/524981936.db2.gz ZDXRALQQFMLBLQ-SNVBAGLBSA-N 2 2 294.395 2.720 10 0 CFAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@H+](C)CCc1ccncc1 ZINC000050578681 525003294 /nfs/dbraw/zinc/00/32/94/525003294.db2.gz ZUUCDWOOOAHHPT-QGZVFWFLSA-N 2 2 287.382 2.703 10 0 CFAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@@H+](C)CCc1ccncc1 ZINC000050578681 525003301 /nfs/dbraw/zinc/00/33/01/525003301.db2.gz ZUUCDWOOOAHHPT-QGZVFWFLSA-N 2 2 287.382 2.703 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[NH+]2CCCCCC2)cc1C ZINC000050596425 525180388 /nfs/dbraw/zinc/18/03/88/525180388.db2.gz UZLYBFWBFNHZCH-OAHLLOKOSA-N 2 2 262.397 2.879 10 0 CFAELP COc1ccc2cc(C[N@H+]3C[C@H]([NH3+])[C@@H](C)C3)ccc2c1 ZINC000235050255 525629558 /nfs/dbraw/zinc/62/95/58/525629558.db2.gz MVZYJJNMQSQWRD-SJCJKPOMSA-N 2 2 270.376 2.627 10 0 CFAELP COc1ccc2cc(C[N@@H+]3C[C@H]([NH3+])[C@@H](C)C3)ccc2c1 ZINC000235050255 525629566 /nfs/dbraw/zinc/62/95/66/525629566.db2.gz MVZYJJNMQSQWRD-SJCJKPOMSA-N 2 2 270.376 2.627 10 0 CFAELP c1coc(C[N@@H+]2CCC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC000062665610 526566471 /nfs/dbraw/zinc/56/64/71/526566471.db2.gz BTCVFQGQFQNPLH-INIZCTEOSA-N 2 2 270.376 2.686 10 0 CFAELP c1coc(C[N@H+]2CCC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC000062665610 526566473 /nfs/dbraw/zinc/56/64/73/526566473.db2.gz BTCVFQGQFQNPLH-INIZCTEOSA-N 2 2 270.376 2.686 10 0 CFAELP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])Cc2ccccc2)s1 ZINC000049534995 526753202 /nfs/dbraw/zinc/75/32/02/526753202.db2.gz FGUQJZNPQIJPGH-NHYWBVRUSA-N 2 2 289.448 2.981 10 0 CFAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC000154628465 529176032 /nfs/dbraw/zinc/17/60/32/529176032.db2.gz VTPMVTDNVBAPFT-DZGCQCFKSA-N 2 2 262.397 2.830 10 0 CFAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1OC ZINC000154628465 529176034 /nfs/dbraw/zinc/17/60/34/529176034.db2.gz VTPMVTDNVBAPFT-DZGCQCFKSA-N 2 2 262.397 2.830 10 0 CFAELP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000151285382 529178536 /nfs/dbraw/zinc/17/85/36/529178536.db2.gz JZRYCJQUZZIGQE-UONOGXRCSA-N 2 2 282.453 2.636 10 0 CFAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000252950130 617667966 /nfs/dbraw/zinc/66/79/66/617667966.db2.gz CQYYKUHKWIMHEK-GMTAPVOTSA-N 2 2 288.844 2.819 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000171746645 623241289 /nfs/dbraw/zinc/24/12/89/623241289.db2.gz ZRVNPDXGFWGOMI-CYBMUJFWSA-N 2 2 265.477 2.960 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000171746645 623241293 /nfs/dbraw/zinc/24/12/93/623241293.db2.gz ZRVNPDXGFWGOMI-CYBMUJFWSA-N 2 2 265.477 2.960 10 0 CFAELP CC[NH+](CC)[C@H](C[NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000094074104 650951110 /nfs/dbraw/zinc/95/11/10/650951110.db2.gz DHCOKFRWJCCKOE-DAWZGUTISA-N 3 2 289.467 2.929 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c(C)c1 ZINC000133824337 646238834 /nfs/dbraw/zinc/23/88/34/646238834.db2.gz GWSBCOZHNQHYKN-OWCLPIDISA-N 2 2 276.424 2.721 10 0 CFAELP C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccccc1Br ZINC000096976846 185144605 /nfs/dbraw/zinc/14/46/05/185144605.db2.gz ZWCYROCWKFYTRW-MFKMUULPSA-N 2 2 283.213 2.791 10 0 CFAELP C[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccccc1Br ZINC000096976846 185144607 /nfs/dbraw/zinc/14/46/07/185144607.db2.gz ZWCYROCWKFYTRW-MFKMUULPSA-N 2 2 283.213 2.791 10 0 CFAELP CCC[NH+](CCC)[C@@H](CO)Cc1cccc2[nH+]c[nH]c21 ZINC000034741362 346319247 /nfs/dbraw/zinc/31/92/47/346319247.db2.gz ORQKOCJNJAYZSK-CQSZACIVSA-N 2 2 275.396 2.588 10 0 CFAELP CCC[NH+]1CCC(c2c[nH]c3ccc(N)[nH+]c32)CC1 ZINC000036468580 346323541 /nfs/dbraw/zinc/32/35/41/346323541.db2.gz ZXLNQDLENCTYSA-UHFFFAOYSA-N 2 2 258.369 2.735 10 0 CFAELP CCCOc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000052920444 346533167 /nfs/dbraw/zinc/53/31/67/346533167.db2.gz RRQMOYHPWPTMHQ-HNNXBMFYSA-N 2 2 262.397 2.789 10 0 CFAELP CCCOc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000052920444 346533170 /nfs/dbraw/zinc/53/31/70/346533170.db2.gz RRQMOYHPWPTMHQ-HNNXBMFYSA-N 2 2 262.397 2.789 10 0 CFAELP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)c(F)c1 ZINC000117718724 347793085 /nfs/dbraw/zinc/79/30/85/347793085.db2.gz WFLSMDANJKPQHB-WMLDXEAASA-N 2 2 288.341 2.892 10 0 CFAELP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)c(F)c1 ZINC000117718724 347793086 /nfs/dbraw/zinc/79/30/86/347793086.db2.gz WFLSMDANJKPQHB-WMLDXEAASA-N 2 2 288.341 2.892 10 0 CFAELP CCSCC[C@H](C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000132569439 347885296 /nfs/dbraw/zinc/88/52/96/347885296.db2.gz KYENRBNCRQVVQH-CQSZACIVSA-N 2 2 252.427 2.589 10 0 CFAELP CCSCC[C@H](C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000132569439 347885298 /nfs/dbraw/zinc/88/52/98/347885298.db2.gz KYENRBNCRQVVQH-CQSZACIVSA-N 2 2 252.427 2.589 10 0 CFAELP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2CCC[N@H+](C)CC2)([NH+](C)C)C1 ZINC000086818871 179347939 /nfs/dbraw/zinc/34/79/39/179347939.db2.gz MTSNUDVBJHNNRO-BRWVUGGUSA-N 3 2 281.488 2.571 10 0 CFAELP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2CCC[N@@H+](C)CC2)([NH+](C)C)C1 ZINC000086818871 179347940 /nfs/dbraw/zinc/34/79/40/179347940.db2.gz MTSNUDVBJHNNRO-BRWVUGGUSA-N 3 2 281.488 2.571 10 0 CFAELP Cc1csc(C[NH2+][C@@H]2CCC[N@@H+](C(C)C)CC2)n1 ZINC000086842199 179352777 /nfs/dbraw/zinc/35/27/77/179352777.db2.gz RWCXRVNAEBJUBH-CYBMUJFWSA-N 2 2 267.442 2.804 10 0 CFAELP Cc1csc(C[NH2+][C@@H]2CCC[N@H+](C(C)C)CC2)n1 ZINC000086842199 179352778 /nfs/dbraw/zinc/35/27/78/179352778.db2.gz RWCXRVNAEBJUBH-CYBMUJFWSA-N 2 2 267.442 2.804 10 0 CFAELP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCCOCC1 ZINC000086870104 179363580 /nfs/dbraw/zinc/36/35/80/179363580.db2.gz YZUVHUPNEBAPEW-AWEZNQCLSA-N 2 2 273.380 2.503 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229095299 348198868 /nfs/dbraw/zinc/19/88/68/348198868.db2.gz VTXJQIBDOVUDHW-WFASDCNBSA-N 2 2 269.392 2.964 10 0 CFAELP CC(C)[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CCC1 ZINC000125532885 539640676 /nfs/dbraw/zinc/64/06/76/539640676.db2.gz JBSXETKFGGUFSB-GOSISDBHSA-N 2 2 290.451 2.742 10 0 CFAELP CC(C)[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CCC1 ZINC000125532885 539640678 /nfs/dbraw/zinc/64/06/78/539640678.db2.gz JBSXETKFGGUFSB-GOSISDBHSA-N 2 2 290.451 2.742 10 0 CFAELP CC(C)[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000125532885 539640681 /nfs/dbraw/zinc/64/06/81/539640681.db2.gz JBSXETKFGGUFSB-GOSISDBHSA-N 2 2 290.451 2.742 10 0 CFAELP CC(C)[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000125532885 539640682 /nfs/dbraw/zinc/64/06/82/539640682.db2.gz JBSXETKFGGUFSB-GOSISDBHSA-N 2 2 290.451 2.742 10 0 CFAELP CCCC1CCC(C[NH3+])([NH2+]CC[NH+](CC)CC)CC1 ZINC000087912637 179521062 /nfs/dbraw/zinc/52/10/62/179521062.db2.gz PLFFTCSEGIMSEL-UHFFFAOYSA-N 3 2 269.477 2.606 10 0 CFAELP [NH3+]CC[NH2+][C@@H](c1ccc(Cl)cc1)[C@H](O)c1ccccc1 ZINC000584594950 348682881 /nfs/dbraw/zinc/68/28/81/348682881.db2.gz LGSZWQKCKIQIPB-JKSUJKDBSA-N 2 2 290.794 2.663 10 0 CFAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H](O)C2)n1-c1ccccc1 ZINC000092128838 539672204 /nfs/dbraw/zinc/67/22/04/539672204.db2.gz BFCKNCZWUFPHSJ-PBHICJAKSA-N 2 2 285.391 2.574 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000105922579 186091529 /nfs/dbraw/zinc/09/15/29/186091529.db2.gz AWVWMVNYKHEKHP-MRXNPFEDSA-N 2 2 284.407 2.720 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCc2ccccn2)C1 ZINC000105922579 186091530 /nfs/dbraw/zinc/09/15/30/186091530.db2.gz AWVWMVNYKHEKHP-MRXNPFEDSA-N 2 2 284.407 2.720 10 0 CFAELP CCC(CC)C[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000122294635 187025277 /nfs/dbraw/zinc/02/52/77/187025277.db2.gz SQXNWWKLBBMEAR-CQSZACIVSA-N 2 2 291.443 2.513 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1ccc2ccncc2c1 ZINC000616614426 352384615 /nfs/dbraw/zinc/38/46/15/352384615.db2.gz FLHIVVPRDNFWSO-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1ccc2ccncc2c1 ZINC000616614426 352384617 /nfs/dbraw/zinc/38/46/17/352384617.db2.gz FLHIVVPRDNFWSO-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616623329 352387936 /nfs/dbraw/zinc/38/79/36/352387936.db2.gz DIRZKKHONSGWLJ-MRXNPFEDSA-N 2 2 270.380 2.506 10 0 CFAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616623329 352387939 /nfs/dbraw/zinc/38/79/39/352387939.db2.gz DIRZKKHONSGWLJ-MRXNPFEDSA-N 2 2 270.380 2.506 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000233486040 539959024 /nfs/dbraw/zinc/95/90/24/539959024.db2.gz MTMQULNLDUTEIH-KRWDZBQOSA-N 2 2 269.392 2.809 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000233486040 539959029 /nfs/dbraw/zinc/95/90/29/539959029.db2.gz MTMQULNLDUTEIH-KRWDZBQOSA-N 2 2 269.392 2.809 10 0 CFAELP C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)C[C@@H]1C[NH3+] ZINC000631838572 355601772 /nfs/dbraw/zinc/60/17/72/355601772.db2.gz QPRBWHRBBJOYQN-KOLCDFICSA-N 2 2 256.752 2.506 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)C[C@@H]1C[NH3+] ZINC000631838572 355601775 /nfs/dbraw/zinc/60/17/75/355601775.db2.gz QPRBWHRBBJOYQN-KOLCDFICSA-N 2 2 256.752 2.506 10 0 CFAELP C[C@@H]1C[N@H+](Cc2cc(Br)cs2)C[C@@H]1C[NH3+] ZINC000631840158 355603162 /nfs/dbraw/zinc/60/31/62/355603162.db2.gz QGIKJRHGQOOKOK-BDAKNGLRSA-N 2 2 289.242 2.537 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2cc(Br)cs2)C[C@@H]1C[NH3+] ZINC000631840158 355603163 /nfs/dbraw/zinc/60/31/63/355603163.db2.gz QGIKJRHGQOOKOK-BDAKNGLRSA-N 2 2 289.242 2.537 10 0 CFAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Br)cc1 ZINC000211997088 540188792 /nfs/dbraw/zinc/18/87/92/540188792.db2.gz DWMYEQRNZNKIMH-VXGBXAGGSA-N 2 2 269.186 2.543 10 0 CFAELP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Br)cc1 ZINC000211997088 540188796 /nfs/dbraw/zinc/18/87/96/540188796.db2.gz DWMYEQRNZNKIMH-VXGBXAGGSA-N 2 2 269.186 2.543 10 0 CFAELP Cc1cc(C[NH2+][C@H]2C[N@@H+](C)CC2(C)C)ccc1F ZINC000675074627 540672818 /nfs/dbraw/zinc/67/28/18/540672818.db2.gz GYJJWBRXXMVDBS-AWEZNQCLSA-N 2 2 250.361 2.564 10 0 CFAELP Cc1cc(C[NH2+][C@H]2C[N@H+](C)CC2(C)C)ccc1F ZINC000675074627 540672822 /nfs/dbraw/zinc/67/28/22/540672822.db2.gz GYJJWBRXXMVDBS-AWEZNQCLSA-N 2 2 250.361 2.564 10 0 CFAELP C[C@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)C1CC1 ZINC000177354918 189045640 /nfs/dbraw/zinc/04/56/40/189045640.db2.gz URPSEGZKKJISGE-LBPRGKRZSA-N 2 2 257.381 2.894 10 0 CFAELP COc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178332583 189108441 /nfs/dbraw/zinc/10/84/41/189108441.db2.gz XEJGXWWJXHXGQW-INIZCTEOSA-N 2 2 285.391 2.865 10 0 CFAELP COc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178332583 189108442 /nfs/dbraw/zinc/10/84/42/189108442.db2.gz XEJGXWWJXHXGQW-INIZCTEOSA-N 2 2 285.391 2.865 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000180130746 189238796 /nfs/dbraw/zinc/23/87/96/189238796.db2.gz XAECVFZYZLMDFR-HNNXBMFYSA-N 2 2 271.364 2.562 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc(O)c1 ZINC000180130746 189238797 /nfs/dbraw/zinc/23/87/97/189238797.db2.gz XAECVFZYZLMDFR-HNNXBMFYSA-N 2 2 271.364 2.562 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000180123211 189237904 /nfs/dbraw/zinc/23/79/04/189237904.db2.gz ZBSBGILTMLDIHR-INIZCTEOSA-N 2 2 295.390 2.732 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000180123211 189237905 /nfs/dbraw/zinc/23/79/05/189237905.db2.gz ZBSBGILTMLDIHR-INIZCTEOSA-N 2 2 295.390 2.732 10 0 CFAELP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1F ZINC000180211037 189243982 /nfs/dbraw/zinc/24/39/82/189243982.db2.gz IDUGIPUPIHKTPU-RHSMWYFYSA-N 2 2 294.414 2.713 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC000184530091 189388126 /nfs/dbraw/zinc/38/81/26/189388126.db2.gz XQDXBQPVXOVZSU-UONOGXRCSA-N 2 2 285.395 2.634 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC000184530091 189388127 /nfs/dbraw/zinc/38/81/27/189388127.db2.gz XQDXBQPVXOVZSU-UONOGXRCSA-N 2 2 285.395 2.634 10 0 CFAELP CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000301883559 201248773 /nfs/dbraw/zinc/24/87/73/201248773.db2.gz NLWCUBHZQYHPMN-SMDDNHRTSA-N 2 2 258.369 2.704 10 0 CFAELP CC(C)[N@H+]1C[C@H](C)[C@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000301883559 201248777 /nfs/dbraw/zinc/24/87/77/201248777.db2.gz NLWCUBHZQYHPMN-SMDDNHRTSA-N 2 2 258.369 2.704 10 0 CFAELP Cc1cc[nH+]cc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000071413625 374217133 /nfs/dbraw/zinc/21/71/33/374217133.db2.gz QXELPKURPPQFKI-UHFFFAOYSA-N 2 2 268.364 2.866 10 0 CFAELP Cc1cccnc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000093175151 375194338 /nfs/dbraw/zinc/19/43/38/375194338.db2.gz HSUPNXKTKWUJMQ-OAHLLOKOSA-N 2 2 282.391 2.719 10 0 CFAELP Cc1cccnc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000093175151 375194345 /nfs/dbraw/zinc/19/43/45/375194345.db2.gz HSUPNXKTKWUJMQ-OAHLLOKOSA-N 2 2 282.391 2.719 10 0 CFAELP CCO[C@H]1C[C@H]([N@H+](C)CCn2cc[nH+]c2)C12CCCC2 ZINC000131902700 377776296 /nfs/dbraw/zinc/77/62/96/377776296.db2.gz GIHLQHNSJYYQGX-GJZGRUSLSA-N 2 2 277.412 2.553 10 0 CFAELP CCO[C@H]1C[C@H]([N@@H+](C)CCn2cc[nH+]c2)C12CCCC2 ZINC000131902700 377776303 /nfs/dbraw/zinc/77/63/03/377776303.db2.gz GIHLQHNSJYYQGX-GJZGRUSLSA-N 2 2 277.412 2.553 10 0 CFAELP c1ccc2[nH+]c(N3CCC([NH2+]CC4CC4)CC3)[nH]c2c1 ZINC000133684952 377950221 /nfs/dbraw/zinc/95/02/21/377950221.db2.gz YQXNGRSFZCBARO-UHFFFAOYSA-N 2 2 270.380 2.531 10 0 CFAELP CC(C)CCOCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151101599 378294183 /nfs/dbraw/zinc/29/41/83/378294183.db2.gz AUJLPVILYIZVKF-INIZCTEOSA-N 2 2 291.439 2.878 10 0 CFAELP CC(C)CCOCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151101599 378294189 /nfs/dbraw/zinc/29/41/89/378294189.db2.gz AUJLPVILYIZVKF-INIZCTEOSA-N 2 2 291.439 2.878 10 0 CFAELP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000151342962 378319140 /nfs/dbraw/zinc/31/91/40/378319140.db2.gz RAHUZOHOXGUNTQ-ZIAGYGMSSA-N 2 2 296.480 2.808 10 0 CFAELP [NH3+]CC[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000168725280 379094347 /nfs/dbraw/zinc/09/43/47/379094347.db2.gz IRUFPBHHPXNSJW-CYBMUJFWSA-N 2 2 255.365 2.800 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnc(Cl)s1 ZINC000175462283 380068087 /nfs/dbraw/zinc/06/80/87/380068087.db2.gz WETNNMHBYNUXGW-NSHDSACASA-N 2 2 296.827 2.966 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnc(Cl)s1 ZINC000175462283 380068090 /nfs/dbraw/zinc/06/80/90/380068090.db2.gz WETNNMHBYNUXGW-NSHDSACASA-N 2 2 296.827 2.966 10 0 CFAELP Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000180653234 380686595 /nfs/dbraw/zinc/68/65/95/380686595.db2.gz COQYTWDQUUFHGT-RYUDHWBXSA-N 2 2 297.362 2.976 10 0 CFAELP C[C@H]1[C@H](Nc2ccc[nH+]c2N)CC[N@@H+]1Cc1ccccc1 ZINC000307347919 382466455 /nfs/dbraw/zinc/46/64/55/382466455.db2.gz XWHORVOPVDTUBJ-DZGCQCFKSA-N 2 2 282.391 2.739 10 0 CFAELP C[C@H]1[C@H](Nc2ccc[nH+]c2N)CC[N@H+]1Cc1ccccc1 ZINC000307347919 382466461 /nfs/dbraw/zinc/46/64/61/382466461.db2.gz XWHORVOPVDTUBJ-DZGCQCFKSA-N 2 2 282.391 2.739 10 0 CFAELP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000358411485 382604083 /nfs/dbraw/zinc/60/40/83/382604083.db2.gz YXMIJELNJQHKRV-UHIISALHSA-N 2 2 252.789 2.941 10 0 CFAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000358411485 382604089 /nfs/dbraw/zinc/60/40/89/382604089.db2.gz YXMIJELNJQHKRV-UHIISALHSA-N 2 2 252.789 2.941 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000389274446 382613222 /nfs/dbraw/zinc/61/32/22/382613222.db2.gz RWPPLYZZPRWJFS-OAHLLOKOSA-N 2 2 274.408 2.584 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000389274446 382613226 /nfs/dbraw/zinc/61/32/26/382613226.db2.gz RWPPLYZZPRWJFS-OAHLLOKOSA-N 2 2 274.408 2.584 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000389549886 382615594 /nfs/dbraw/zinc/61/55/94/382615594.db2.gz ODWBZZQMDZTVIJ-SUMWQHHRSA-N 2 2 258.409 2.920 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000389549886 382615598 /nfs/dbraw/zinc/61/55/98/382615598.db2.gz ODWBZZQMDZTVIJ-SUMWQHHRSA-N 2 2 258.409 2.920 10 0 CFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000248035726 383207761 /nfs/dbraw/zinc/20/77/61/383207761.db2.gz RNYHLVJAJPCAHU-COXVUDFISA-N 2 2 258.409 2.992 10 0 CFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000248035726 383207765 /nfs/dbraw/zinc/20/77/65/383207765.db2.gz RNYHLVJAJPCAHU-COXVUDFISA-N 2 2 258.409 2.992 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000247253744 383156880 /nfs/dbraw/zinc/15/68/80/383156880.db2.gz UDODRAXTZCNRKL-LSDHHAIUSA-N 2 2 277.412 2.652 10 0 CFAELP Cc1cc(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000247332765 383164685 /nfs/dbraw/zinc/16/46/85/383164685.db2.gz NAUGIOLJBSXURW-BXUZGUMPSA-N 2 2 274.412 2.803 10 0 CFAELP Cc1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000247332765 383164689 /nfs/dbraw/zinc/16/46/89/383164689.db2.gz NAUGIOLJBSXURW-BXUZGUMPSA-N 2 2 274.412 2.803 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000248445908 383244792 /nfs/dbraw/zinc/24/47/92/383244792.db2.gz MRKMDQKTUWOPIE-CXAGYDPISA-N 2 2 289.423 2.780 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000248445908 383244795 /nfs/dbraw/zinc/24/47/95/383244795.db2.gz MRKMDQKTUWOPIE-CXAGYDPISA-N 2 2 289.423 2.780 10 0 CFAELP C[C@@H]1C[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000634999335 383456030 /nfs/dbraw/zinc/45/60/30/383456030.db2.gz SOTJQNJYFLWLQE-KOLCDFICSA-N 2 2 290.304 2.871 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000634999335 383456033 /nfs/dbraw/zinc/45/60/33/383456033.db2.gz SOTJQNJYFLWLQE-KOLCDFICSA-N 2 2 290.304 2.871 10 0 CFAELP C[C@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000634999583 383457374 /nfs/dbraw/zinc/45/73/74/383457374.db2.gz WQQHYZXGPSQJSI-ONGXEEELSA-N 2 2 290.304 2.871 10 0 CFAELP C[C@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000634999583 383457380 /nfs/dbraw/zinc/45/73/80/383457380.db2.gz WQQHYZXGPSQJSI-ONGXEEELSA-N 2 2 290.304 2.871 10 0 CFAELP C[C@H]1C[N@H+](Cc2ccccc2OC2CCCC2)C[C@H]1[NH3+] ZINC000261982912 383590021 /nfs/dbraw/zinc/59/00/21/383590021.db2.gz JKYDSULEYHNQQX-XJKSGUPXSA-N 2 2 274.408 2.787 10 0 CFAELP C[C@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)C[C@H]1[NH3+] ZINC000261982912 383590025 /nfs/dbraw/zinc/59/00/25/383590025.db2.gz JKYDSULEYHNQQX-XJKSGUPXSA-N 2 2 274.408 2.787 10 0 CFAELP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@@H]1[NH3+] ZINC000262019105 383595601 /nfs/dbraw/zinc/59/56/01/383595601.db2.gz NAFLRRCKOUNYLH-HZMBPMFUSA-N 2 2 290.798 2.509 10 0 CFAELP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@@H]1[NH3+] ZINC000262019105 383595605 /nfs/dbraw/zinc/59/56/05/383595605.db2.gz NAFLRRCKOUNYLH-HZMBPMFUSA-N 2 2 290.798 2.509 10 0 CFAELP COc1ccc(Cl)c(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000262068798 383602610 /nfs/dbraw/zinc/60/26/10/383602610.db2.gz BVDJNRYJRJJKKG-CYBMUJFWSA-N 2 2 282.815 2.923 10 0 CFAELP COc1ccc(Cl)c(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000262068798 383602613 /nfs/dbraw/zinc/60/26/13/383602613.db2.gz BVDJNRYJRJJKKG-CYBMUJFWSA-N 2 2 282.815 2.923 10 0 CFAELP CCC[N@H+](Cc1noc(C[NH3+])n1)[C@@H](CC)c1ccccc1 ZINC000262270063 383614304 /nfs/dbraw/zinc/61/43/04/383614304.db2.gz SKUKTCRIHUDBRY-AWEZNQCLSA-N 2 2 288.395 2.892 10 0 CFAELP CCC[N@@H+](Cc1noc(C[NH3+])n1)[C@@H](CC)c1ccccc1 ZINC000262270063 383614311 /nfs/dbraw/zinc/61/43/11/383614311.db2.gz SKUKTCRIHUDBRY-AWEZNQCLSA-N 2 2 288.395 2.892 10 0 CFAELP CCCCc1[nH]c2ccc(NC(=O)[C@H]([NH3+])CCC)cc2[nH+]1 ZINC000262682873 383634125 /nfs/dbraw/zinc/63/41/25/383634125.db2.gz WTXCHCOILGRUGV-GFCCVEGCSA-N 2 2 288.395 2.971 10 0 CFAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000531706417 383907622 /nfs/dbraw/zinc/90/76/22/383907622.db2.gz VINDJUXLQSFONZ-COXVUDFISA-N 2 2 258.409 2.994 10 0 CFAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000531706417 383907627 /nfs/dbraw/zinc/90/76/27/383907627.db2.gz VINDJUXLQSFONZ-COXVUDFISA-N 2 2 258.409 2.994 10 0 CFAELP Cc1nc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC000348318275 220289392 /nfs/dbraw/zinc/28/93/92/220289392.db2.gz KDTMSZIBYJEUPJ-JQWIXIFHSA-N 2 2 253.415 2.586 10 0 CFAELP Cc1nc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cs1 ZINC000348318275 220289397 /nfs/dbraw/zinc/28/93/97/220289397.db2.gz KDTMSZIBYJEUPJ-JQWIXIFHSA-N 2 2 253.415 2.586 10 0 CFAELP [NH3+][C@@H]1CCC[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000335583403 393681110 /nfs/dbraw/zinc/68/11/10/393681110.db2.gz XMHGAKIMWAUZPD-ZJUUUORDSA-N 2 2 259.275 2.782 10 0 CFAELP CCC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195266436 393736460 /nfs/dbraw/zinc/73/64/60/393736460.db2.gz FBNWYNLJJNNMKE-CYBMUJFWSA-N 2 2 267.442 2.615 10 0 CFAELP CCC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195266436 393736463 /nfs/dbraw/zinc/73/64/63/393736463.db2.gz FBNWYNLJJNNMKE-CYBMUJFWSA-N 2 2 267.442 2.615 10 0 CFAELP CCC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195266436 393736466 /nfs/dbraw/zinc/73/64/66/393736466.db2.gz FBNWYNLJJNNMKE-CYBMUJFWSA-N 2 2 267.442 2.615 10 0 CFAELP CCC[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195266436 393736470 /nfs/dbraw/zinc/73/64/70/393736470.db2.gz FBNWYNLJJNNMKE-CYBMUJFWSA-N 2 2 267.442 2.615 10 0 CFAELP CSCC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195257217 393736861 /nfs/dbraw/zinc/73/68/61/393736861.db2.gz DZZWSURVFSLPQV-CYBMUJFWSA-N 2 2 299.509 2.568 10 0 CFAELP CSCC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195257217 393736864 /nfs/dbraw/zinc/73/68/64/393736864.db2.gz DZZWSURVFSLPQV-CYBMUJFWSA-N 2 2 299.509 2.568 10 0 CFAELP CSCC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195257217 393736867 /nfs/dbraw/zinc/73/68/67/393736867.db2.gz DZZWSURVFSLPQV-CYBMUJFWSA-N 2 2 299.509 2.568 10 0 CFAELP CSCC[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195257217 393736869 /nfs/dbraw/zinc/73/68/69/393736869.db2.gz DZZWSURVFSLPQV-CYBMUJFWSA-N 2 2 299.509 2.568 10 0 CFAELP Cc1cc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc[nH+]1 ZINC000119141567 393914854 /nfs/dbraw/zinc/91/48/54/393914854.db2.gz VKOWTOOQYGKEJF-MRXNPFEDSA-N 2 2 298.390 2.814 10 0 CFAELP c1cn(C[C@H]2CCC[N@@H+]2CC2=Cc3ccccc3OC2)c[nH+]1 ZINC000188398297 543061644 /nfs/dbraw/zinc/06/16/44/543061644.db2.gz YZJPIZKVFZLHJR-QGZVFWFLSA-N 2 2 295.386 2.824 10 0 CFAELP Cc1ccc(F)c(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])c1 ZINC000261551930 292117612 /nfs/dbraw/zinc/11/76/12/292117612.db2.gz YSSQHTVGLLWQTH-JSGCOSHPSA-N 2 2 250.361 2.693 10 0 CFAELP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])c1 ZINC000261551930 292117613 /nfs/dbraw/zinc/11/76/13/292117613.db2.gz YSSQHTVGLLWQTH-JSGCOSHPSA-N 2 2 250.361 2.693 10 0 CFAELP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)n1C ZINC000657302749 413423909 /nfs/dbraw/zinc/42/39/09/413423909.db2.gz WIZOBIBHNAASNP-MNOVXSKESA-N 2 2 275.318 2.939 10 0 CFAELP COc1ccccc1[C@H](C[NH3+])[N@H+](C)CC(C)(C)C ZINC000020225783 171090062 /nfs/dbraw/zinc/09/00/62/171090062.db2.gz AQSAARFSGIFQRC-ZDUSSCGKSA-N 2 2 250.386 2.673 10 0 CFAELP COc1ccccc1[C@H](C[NH3+])[N@@H+](C)CC(C)(C)C ZINC000020225783 171090064 /nfs/dbraw/zinc/09/00/64/171090064.db2.gz AQSAARFSGIFQRC-ZDUSSCGKSA-N 2 2 250.386 2.673 10 0 CFAELP COc1ccccc1[C@H](C[NH3+])[N@H+](C)CCc1ccccc1 ZINC000020225787 171090269 /nfs/dbraw/zinc/09/02/69/171090269.db2.gz NXSYWMYJYROEIK-KRWDZBQOSA-N 2 2 284.403 2.870 10 0 CFAELP COc1ccccc1[C@H](C[NH3+])[N@@H+](C)CCc1ccccc1 ZINC000020225787 171090272 /nfs/dbraw/zinc/09/02/72/171090272.db2.gz NXSYWMYJYROEIK-KRWDZBQOSA-N 2 2 284.403 2.870 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[N@H+](C)CCc2ccccc2)c1 ZINC000020225836 171090403 /nfs/dbraw/zinc/09/04/03/171090403.db2.gz VVMZRKJMFDIADK-GOSISDBHSA-N 2 2 284.403 2.870 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[N@@H+](C)CCc2ccccc2)c1 ZINC000020225836 171090404 /nfs/dbraw/zinc/09/04/04/171090404.db2.gz VVMZRKJMFDIADK-GOSISDBHSA-N 2 2 284.403 2.870 10 0 CFAELP C[C@@H](c1nc2ccccc2s1)[NH+]1CCC([NH3+])CC1 ZINC000020521526 171234836 /nfs/dbraw/zinc/23/48/36/171234836.db2.gz ZMRZSCCIYBEDJK-JTQLQIEISA-N 2 2 261.394 2.780 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)C12CC3CC(CC(C3)C1)C2 ZINC000035503982 172237285 /nfs/dbraw/zinc/23/72/85/172237285.db2.gz VTLBRJOSKYZYGX-IXUJDMMCSA-N 2 2 259.397 2.757 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(F)cc1Br ZINC000035504212 172237293 /nfs/dbraw/zinc/23/72/93/172237293.db2.gz XPXYZQOADHFNEK-LLVKDONJSA-N 2 2 298.159 2.815 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Br)cc1 ZINC000035504130 172237570 /nfs/dbraw/zinc/23/75/70/172237570.db2.gz KOKROEQFYIDLRK-NSHDSACASA-N 2 2 280.169 2.675 10 0 CFAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)Cc1ccccc1F ZINC000035586607 172285396 /nfs/dbraw/zinc/28/53/96/172285396.db2.gz DHALNOQPKDRWMA-ZDUSSCGKSA-N 2 2 261.344 2.702 10 0 CFAELP Cc1ccc([C@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)cc1C ZINC000037180089 173012947 /nfs/dbraw/zinc/01/29/47/173012947.db2.gz JRLSRODZKRGMJM-CABCVRRESA-N 2 2 264.438 2.741 10 0 CFAELP Cc1ccc([C@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)cc1C ZINC000037180089 173012949 /nfs/dbraw/zinc/01/29/49/173012949.db2.gz JRLSRODZKRGMJM-CABCVRRESA-N 2 2 264.438 2.741 10 0 CFAELP CC[N@H+](CC(C)C)[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000037233628 173052469 /nfs/dbraw/zinc/05/24/69/173052469.db2.gz LMUOEQWDWCQUPV-AWEZNQCLSA-N 2 2 256.340 2.943 10 0 CFAELP CC[N@@H+](CC(C)C)[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000037233628 173052471 /nfs/dbraw/zinc/05/24/71/173052471.db2.gz LMUOEQWDWCQUPV-AWEZNQCLSA-N 2 2 256.340 2.943 10 0 CFAELP CC[N@H+](Cc1ccc(Br)o1)C1CC[NH2+]CC1 ZINC000037469493 173227249 /nfs/dbraw/zinc/22/72/49/173227249.db2.gz WFAGSVXGZAYSJS-UHFFFAOYSA-N 2 2 287.201 2.616 10 0 CFAELP CC[N@@H+](Cc1ccc(Br)o1)C1CC[NH2+]CC1 ZINC000037469493 173227251 /nfs/dbraw/zinc/22/72/51/173227251.db2.gz WFAGSVXGZAYSJS-UHFFFAOYSA-N 2 2 287.201 2.616 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)c1OC ZINC000039789167 174173538 /nfs/dbraw/zinc/17/35/38/174173538.db2.gz ZDMMEHDVAMAFJK-VNHYZAJKSA-N 2 2 292.423 2.967 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)c1OC ZINC000039789167 174173540 /nfs/dbraw/zinc/17/35/40/174173540.db2.gz ZDMMEHDVAMAFJK-VNHYZAJKSA-N 2 2 292.423 2.967 10 0 CFAELP Cc1cc(C)c(C[NH3+])c(N2CCC[C@H]2c2cccnc2)[nH+]1 ZINC000040509483 174304302 /nfs/dbraw/zinc/30/43/02/174304302.db2.gz JPSCAQFZQNBQSZ-INIZCTEOSA-N 2 2 282.391 2.894 10 0 CFAELP Cc1ccc(C2CC([NH2+]CCc3[nH+]ccn3C)C2)cc1 ZINC000040639078 174362751 /nfs/dbraw/zinc/36/27/51/174362751.db2.gz GNAGOIVULDPNII-UHFFFAOYSA-N 2 2 269.392 2.807 10 0 CFAELP CCc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2C)cc1 ZINC000040638867 174362797 /nfs/dbraw/zinc/36/27/97/174362797.db2.gz BHOYXUUCMKONLN-CYBMUJFWSA-N 2 2 257.381 2.876 10 0 CFAELP C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1cccc(Cl)c1 ZINC000040638830 174363151 /nfs/dbraw/zinc/36/31/51/174363151.db2.gz YTHOYVYWYPSZIN-LLVKDONJSA-N 2 2 263.772 2.967 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000040639237 174363818 /nfs/dbraw/zinc/36/38/18/174363818.db2.gz GIRYNSSPUJNDLX-CYBMUJFWSA-N 2 2 291.395 2.928 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000040639351 174363849 /nfs/dbraw/zinc/36/38/49/174363849.db2.gz OZENEBCQYHXTRJ-INIZCTEOSA-N 2 2 273.355 2.843 10 0 CFAELP COc1ccccc1C1CC([NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000040672807 174371599 /nfs/dbraw/zinc/37/15/99/174371599.db2.gz MBLZWBVONPEBKG-SLTAFYQDSA-N 2 2 274.408 2.625 10 0 CFAELP COc1ccccc1C1CC([NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000040672807 174371600 /nfs/dbraw/zinc/37/16/00/174371600.db2.gz MBLZWBVONPEBKG-SLTAFYQDSA-N 2 2 274.408 2.625 10 0 CFAELP Nc1c(Nc2cc[nH+]cc2)nc[nH+]c1NC1CCCC1 ZINC000040687675 174375891 /nfs/dbraw/zinc/37/58/91/174375891.db2.gz NGUBNZKNXWNXKS-UHFFFAOYSA-N 2 2 270.340 2.552 10 0 CFAELP O=C1CCCCC[C@@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693677 174377165 /nfs/dbraw/zinc/37/71/65/174377165.db2.gz OMNHLPDPYULVOG-INIZCTEOSA-N 2 2 278.440 2.839 10 0 CFAELP c1ccc2[nH+]c(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)ccc2c1 ZINC000040746445 174391468 /nfs/dbraw/zinc/39/14/68/174391468.db2.gz IXLIMWUUGMDELX-PBWFPOADSA-N 2 2 253.349 2.930 10 0 CFAELP CCc1cc(N[C@@H](C)c2ccc(C[NH3+])cc2)nc[nH+]1 ZINC000040764948 174397520 /nfs/dbraw/zinc/39/75/20/174397520.db2.gz DWMDVIIOIYRXNO-NSHDSACASA-N 2 2 256.353 2.671 10 0 CFAELP CC[NH+]1CCC([C@@H](C)[NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000040767734 174398085 /nfs/dbraw/zinc/39/80/85/174398085.db2.gz YAHZZLYMQLQKAZ-MRXNPFEDSA-N 3 2 281.488 2.572 10 0 CFAELP COc1cc2[nH]c(CC[NH2+]C(C)(C)C)[nH+]c2cc1OC ZINC000042173135 174652055 /nfs/dbraw/zinc/65/20/55/174652055.db2.gz VMBCIOSHZWBSQZ-UHFFFAOYSA-N 2 2 277.368 2.511 10 0 CFAELP Clc1ccc(CC[NH2+][C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000043324135 175006393 /nfs/dbraw/zinc/00/63/93/175006393.db2.gz ULXPCLFSBOHSES-GFCCVEGCSA-N 2 2 273.207 2.878 10 0 CFAELP [NH3+]C[C@H](c1ccco1)n1cc[nH+]c1-c1ccccc1 ZINC000043336472 175012626 /nfs/dbraw/zinc/01/26/26/175012626.db2.gz BIEVEOKIBDXZCL-CYBMUJFWSA-N 2 2 253.305 2.691 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043341034 175015125 /nfs/dbraw/zinc/01/51/25/175015125.db2.gz CXDMHOHIOLKEGY-JLJPHGGASA-N 2 2 291.439 2.607 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043341034 175015127 /nfs/dbraw/zinc/01/51/27/175015127.db2.gz CXDMHOHIOLKEGY-JLJPHGGASA-N 2 2 291.439 2.607 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@H+](CC1CC1)C(C)C ZINC000043348426 175018796 /nfs/dbraw/zinc/01/87/96/175018796.db2.gz SCWXWRSLDQYRHV-HOTGVXAUSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+](CC1CC1)C(C)C ZINC000043348426 175018798 /nfs/dbraw/zinc/01/87/98/175018798.db2.gz SCWXWRSLDQYRHV-HOTGVXAUSA-N 2 2 261.413 2.980 10 0 CFAELP Cc1cc2[nH+]cn([C@H](c3cccnc3)[C@H](C)[NH3+])c2cc1C ZINC000043348818 175019386 /nfs/dbraw/zinc/01/93/86/175019386.db2.gz NQZZBDMVBAQIRU-GUYCJALGSA-N 2 2 280.375 2.985 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043353059 175020195 /nfs/dbraw/zinc/02/01/95/175020195.db2.gz UMUQPLLIYOJBAT-OCVGTWLNSA-N 2 2 261.413 2.838 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043353059 175020196 /nfs/dbraw/zinc/02/01/96/175020196.db2.gz UMUQPLLIYOJBAT-OCVGTWLNSA-N 2 2 261.413 2.838 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](CC(C)C)C1CC1 ZINC000043354660 175022252 /nfs/dbraw/zinc/02/22/52/175022252.db2.gz FZFIPUVATVGYLV-CVEARBPZSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](CC(C)C)C1CC1 ZINC000043354660 175022254 /nfs/dbraw/zinc/02/22/54/175022254.db2.gz FZFIPUVATVGYLV-CVEARBPZSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](C)[C@@H]1CCSC1 ZINC000043364095 175024938 /nfs/dbraw/zinc/02/49/38/175024938.db2.gz KZOKZMWZQCQTBG-BZPMIXESSA-N 2 2 268.426 2.804 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043364095 175024939 /nfs/dbraw/zinc/02/49/39/175024939.db2.gz KZOKZMWZQCQTBG-BZPMIXESSA-N 2 2 268.426 2.804 10 0 CFAELP CC(C)[N@H+](CC[NH3+])Cc1cc(Br)cs1 ZINC000043687695 175094952 /nfs/dbraw/zinc/09/49/52/175094952.db2.gz KEBQZDITKWRZKD-UHFFFAOYSA-N 2 2 277.231 2.680 10 0 CFAELP CC(C)[N@@H+](CC[NH3+])Cc1cc(Br)cs1 ZINC000043687695 175094953 /nfs/dbraw/zinc/09/49/53/175094953.db2.gz KEBQZDITKWRZKD-UHFFFAOYSA-N 2 2 277.231 2.680 10 0 CFAELP c1ccc2c(c1)CC[N@@H+](C[C@H]1[NH2+]CCc3ccccc31)C2 ZINC000043595949 175076433 /nfs/dbraw/zinc/07/64/33/175076433.db2.gz ZOZBHXHHJVWIGI-LJQANCHMSA-N 2 2 278.399 2.932 10 0 CFAELP c1ccc2c(c1)CC[N@H+](C[C@H]1[NH2+]CCc3ccccc31)C2 ZINC000043595949 175076434 /nfs/dbraw/zinc/07/64/34/175076434.db2.gz ZOZBHXHHJVWIGI-LJQANCHMSA-N 2 2 278.399 2.932 10 0 CFAELP CC[N@H+](C1CCCCC1)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043804104 175107554 /nfs/dbraw/zinc/10/75/54/175107554.db2.gz VTDVQCWTECZHEX-JKSUJKDBSA-N 2 2 296.455 2.525 10 0 CFAELP CC[N@@H+](C1CCCCC1)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043804104 175107556 /nfs/dbraw/zinc/10/75/56/175107556.db2.gz VTDVQCWTECZHEX-JKSUJKDBSA-N 2 2 296.455 2.525 10 0 CFAELP CCOc1ccc([C@@H](C)[NH2+]C)cc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000043812556 175111219 /nfs/dbraw/zinc/11/12/19/175111219.db2.gz QBJJWHBVUXWDPR-UONOGXRCSA-N 2 2 292.423 2.586 10 0 CFAELP CCOc1ccc([C@@H](C)[NH2+]C)cc1C[N@H+]1CCO[C@@H](C)C1 ZINC000043812556 175111221 /nfs/dbraw/zinc/11/12/21/175111221.db2.gz QBJJWHBVUXWDPR-UONOGXRCSA-N 2 2 292.423 2.586 10 0 CFAELP CCC[NH2+][C@H](CC)[C@@H](C)[N@H+](C)CCc1ccccn1 ZINC000043818918 175113839 /nfs/dbraw/zinc/11/38/39/175113839.db2.gz JWQHBIUTZTWRED-GDBMZVCRSA-N 2 2 263.429 2.723 10 0 CFAELP CCC[NH2+][C@H](CC)[C@@H](C)[N@@H+](C)CCc1ccccn1 ZINC000043818918 175113840 /nfs/dbraw/zinc/11/38/40/175113840.db2.gz JWQHBIUTZTWRED-GDBMZVCRSA-N 2 2 263.429 2.723 10 0 CFAELP CC[NH2+][C@@H](C[N@H+](C)CCc1ccccn1)C(C)(C)C ZINC000043818809 175114136 /nfs/dbraw/zinc/11/41/36/175114136.db2.gz OBKAWHCHBKMSHA-HNNXBMFYSA-N 2 2 263.429 2.580 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+](C)CCc1ccccn1)C(C)(C)C ZINC000043818809 175114137 /nfs/dbraw/zinc/11/41/37/175114137.db2.gz OBKAWHCHBKMSHA-HNNXBMFYSA-N 2 2 263.429 2.580 10 0 CFAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](CC)C1CCCC1)OCCO2 ZINC000043890742 175118185 /nfs/dbraw/zinc/11/81/85/175118185.db2.gz SUDRJQGVCJNQRX-CVEARBPZSA-N 2 2 296.455 2.525 10 0 CFAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](CC)C1CCCC1)OCCO2 ZINC000043890742 175118186 /nfs/dbraw/zinc/11/81/86/175118186.db2.gz SUDRJQGVCJNQRX-CVEARBPZSA-N 2 2 296.455 2.525 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@H+](C)Cc1ccncc1 ZINC000043893831 175118704 /nfs/dbraw/zinc/11/87/04/175118704.db2.gz KBUNJMXNPVHSAY-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@@H+](C)Cc1ccncc1 ZINC000043893831 175118705 /nfs/dbraw/zinc/11/87/05/175118705.db2.gz KBUNJMXNPVHSAY-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@H+](C)Cc1ccccn1 ZINC000043894274 175119295 /nfs/dbraw/zinc/11/92/95/175119295.db2.gz GPPKUGIEYCNJPY-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+](C)Cc1ccccn1 ZINC000043894274 175119296 /nfs/dbraw/zinc/11/92/96/175119296.db2.gz GPPKUGIEYCNJPY-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@H]1[N@H+](C)Cc1ccncc1 ZINC000043894210 175119505 /nfs/dbraw/zinc/11/95/05/175119505.db2.gz IXLXNEDNFOXDEH-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccncc1 ZINC000043894210 175119506 /nfs/dbraw/zinc/11/95/06/175119506.db2.gz IXLXNEDNFOXDEH-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@H](CC)[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911602 175123655 /nfs/dbraw/zinc/12/36/55/175123655.db2.gz GSUDGMMGYSGHDL-CZUORRHYSA-N 2 2 264.413 2.904 10 0 CFAELP CC[NH2+][C@H](CC)[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911602 175123656 /nfs/dbraw/zinc/12/36/56/175123656.db2.gz GSUDGMMGYSGHDL-CZUORRHYSA-N 2 2 264.413 2.904 10 0 CFAELP CC[C@H]([NH2+]C)[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911490 175123691 /nfs/dbraw/zinc/12/36/91/175123691.db2.gz YAJNZVZOMXCQTP-DOMZBBRYSA-N 2 2 250.386 2.514 10 0 CFAELP CC[C@H]([NH2+]C)[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911490 175123692 /nfs/dbraw/zinc/12/36/92/175123692.db2.gz YAJNZVZOMXCQTP-DOMZBBRYSA-N 2 2 250.386 2.514 10 0 CFAELP CC[NH2+][C@H](C)CC[N@H+](C)Cc1ccccc1OC ZINC000043912277 175123787 /nfs/dbraw/zinc/12/37/87/175123787.db2.gz DXAHLKAIMROYDW-CYBMUJFWSA-N 2 2 250.386 2.515 10 0 CFAELP CC[NH2+][C@H](C)CC[N@@H+](C)Cc1ccccc1OC ZINC000043912277 175123788 /nfs/dbraw/zinc/12/37/88/175123788.db2.gz DXAHLKAIMROYDW-CYBMUJFWSA-N 2 2 250.386 2.515 10 0 CFAELP CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1[N@H+](C)CCOC ZINC000043915830 175124969 /nfs/dbraw/zinc/12/49/69/175124969.db2.gz CFRHDCSZNLYCMX-KKUMJFAQSA-N 2 2 270.461 2.758 10 0 CFAELP CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1[N@@H+](C)CCOC ZINC000043915830 175124972 /nfs/dbraw/zinc/12/49/72/175124972.db2.gz CFRHDCSZNLYCMX-KKUMJFAQSA-N 2 2 270.461 2.758 10 0 CFAELP CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1[N@H+](C)CCOC ZINC000043915882 175125043 /nfs/dbraw/zinc/12/50/43/175125043.db2.gz KUGKNLPFZDGGOE-SQNIBIBYSA-N 2 2 290.451 2.879 10 0 CFAELP CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1[N@@H+](C)CCOC ZINC000043915882 175125044 /nfs/dbraw/zinc/12/50/44/175125044.db2.gz KUGKNLPFZDGGOE-SQNIBIBYSA-N 2 2 290.451 2.879 10 0 CFAELP CCC[NH2+][C@@H]1CCCCCC[C@H]1[N@H+](C)CCOC ZINC000043916269 175125224 /nfs/dbraw/zinc/12/52/24/175125224.db2.gz UJGSNVQUFYAGLI-HUUCEWRRSA-N 2 2 256.434 2.656 10 0 CFAELP CCC[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+](C)CCOC ZINC000043916269 175125225 /nfs/dbraw/zinc/12/52/25/175125225.db2.gz UJGSNVQUFYAGLI-HUUCEWRRSA-N 2 2 256.434 2.656 10 0 CFAELP CC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)[N@H+](C)CCOC ZINC000043915961 175125292 /nfs/dbraw/zinc/12/52/92/175125292.db2.gz IOGJZSSPINNMDV-GOEBONIOSA-N 2 2 264.413 2.612 10 0 CFAELP CC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)[N@@H+](C)CCOC ZINC000043915961 175125293 /nfs/dbraw/zinc/12/52/93/175125293.db2.gz IOGJZSSPINNMDV-GOEBONIOSA-N 2 2 264.413 2.612 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@H](CC)[N@H+](C)CCOC ZINC000043916081 175125296 /nfs/dbraw/zinc/12/52/96/175125296.db2.gz HKMKFNKGQBPLTR-JKSUJKDBSA-N 2 2 264.413 2.694 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@H](CC)[N@@H+](C)CCOC ZINC000043916081 175125298 /nfs/dbraw/zinc/12/52/98/175125298.db2.gz HKMKFNKGQBPLTR-JKSUJKDBSA-N 2 2 264.413 2.694 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@H]1[N@@H+]1CCOCC1(C)C ZINC000043965341 175126546 /nfs/dbraw/zinc/12/65/46/175126546.db2.gz IHEXCEKABZFMNY-LSDHHAIUSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@H]1[N@H+]1CCOCC1(C)C ZINC000043965341 175126548 /nfs/dbraw/zinc/12/65/48/175126548.db2.gz IHEXCEKABZFMNY-LSDHHAIUSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043966029 175126982 /nfs/dbraw/zinc/12/69/82/175126982.db2.gz DTYKISYLNWLEIH-XIRDDKMYSA-N 2 2 276.424 2.837 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966029 175126984 /nfs/dbraw/zinc/12/69/84/175126984.db2.gz DTYKISYLNWLEIH-XIRDDKMYSA-N 2 2 276.424 2.837 10 0 CFAELP CC[N@H+](CCOC)C[C@@H]([NH2+]C)c1c(C)cc(C)cc1C ZINC000043968532 175129521 /nfs/dbraw/zinc/12/95/21/175129521.db2.gz NBKNOYQWRNGCPN-MRXNPFEDSA-N 2 2 278.440 2.841 10 0 CFAELP CC[N@@H+](CCOC)C[C@@H]([NH2+]C)c1c(C)cc(C)cc1C ZINC000043968532 175129522 /nfs/dbraw/zinc/12/95/22/175129522.db2.gz NBKNOYQWRNGCPN-MRXNPFEDSA-N 2 2 278.440 2.841 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@H](C)[N@H+](CCOC)C1CC1 ZINC000043969876 175130998 /nfs/dbraw/zinc/13/09/98/175130998.db2.gz WPHTWDNBTDKELU-WMLDXEAASA-N 2 2 276.424 2.837 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@H](C)[N@@H+](CCOC)C1CC1 ZINC000043969876 175130999 /nfs/dbraw/zinc/13/09/99/175130999.db2.gz WPHTWDNBTDKELU-WMLDXEAASA-N 2 2 276.424 2.837 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043970084 175131472 /nfs/dbraw/zinc/13/14/72/175131472.db2.gz SDKBGGSLWRLXHJ-IMJJTQAJSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043970084 175131474 /nfs/dbraw/zinc/13/14/74/175131474.db2.gz SDKBGGSLWRLXHJ-IMJJTQAJSA-N 2 2 268.445 2.654 10 0 CFAELP CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1OCC ZINC000043993042 175135732 /nfs/dbraw/zinc/13/57/32/175135732.db2.gz JPMRAZLXEHQHAZ-CQSZACIVSA-N 2 2 259.353 2.633 10 0 CFAELP CC[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1n1cc[nH+]c1 ZINC000043992532 175135769 /nfs/dbraw/zinc/13/57/69/175135769.db2.gz LALJLWZBEKQDTD-HZPDHXFCSA-N 2 2 271.364 2.730 10 0 CFAELP C[NH2+][C@@H](Cn1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000043993210 175136311 /nfs/dbraw/zinc/13/63/11/175136311.db2.gz RNPUOWHQBAHDRR-DQGBIZLVSA-N 2 2 259.397 2.688 10 0 CFAELP C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000043993196 175136678 /nfs/dbraw/zinc/13/66/78/175136678.db2.gz JAFWVAPNOPSIHE-OAGGEKHMSA-N 2 2 255.365 2.980 10 0 CFAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(OC)ccc1OC ZINC000044482166 175179468 /nfs/dbraw/zinc/17/94/68/175179468.db2.gz APUKTZKFUAODBT-CQSZACIVSA-N 2 2 289.379 2.710 10 0 CFAELP [NH3+][C@H]1CCCc2cc(OCCCn3cc[nH+]c3)ccc21 ZINC000044732357 175240781 /nfs/dbraw/zinc/24/07/81/175240781.db2.gz JJDDUNBXWMLCJD-INIZCTEOSA-N 2 2 271.364 2.688 10 0 CFAELP C[NH2+][C@@H]1CCCc2cc(OCCCn3cc[nH+]c3)ccc21 ZINC000044745067 175241470 /nfs/dbraw/zinc/24/14/70/175241470.db2.gz AXEFDTZWBAHNOJ-QGZVFWFLSA-N 2 2 285.391 2.949 10 0 CFAELP C[NH2+][C@@H]1CCCc2cc(OCCn3cc[nH+]c3)ccc21 ZINC000044745113 175241604 /nfs/dbraw/zinc/24/16/04/175241604.db2.gz WPVAWKRSEZYALY-MRXNPFEDSA-N 2 2 271.364 2.559 10 0 CFAELP Oc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044747616 175242998 /nfs/dbraw/zinc/24/29/98/175242998.db2.gz OZPGNAHKCKPUPD-DYVFJYSZSA-N 2 2 272.392 2.596 10 0 CFAELP Oc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044747616 175242999 /nfs/dbraw/zinc/24/29/99/175242999.db2.gz OZPGNAHKCKPUPD-DYVFJYSZSA-N 2 2 272.392 2.596 10 0 CFAELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747522 175243268 /nfs/dbraw/zinc/24/32/68/175243268.db2.gz ZLBLBYBYMAQOKA-SUMWQHHRSA-N 2 2 274.408 2.844 10 0 CFAELP COCC[C@](C)(C[NH3+])[N@H+](C)Cc1ccc(Cl)cc1 ZINC000045043408 175295758 /nfs/dbraw/zinc/29/57/58/175295758.db2.gz VCKUMICELQEFFH-CQSZACIVSA-N 2 2 270.804 2.526 10 0 CFAELP COCC[C@](C)(C[NH3+])[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000045043408 175295760 /nfs/dbraw/zinc/29/57/60/175295760.db2.gz VCKUMICELQEFFH-CQSZACIVSA-N 2 2 270.804 2.526 10 0 CFAELP [NH2+]=C1c2ccccc2CN1CCCCn1cc[nH+]c1 ZINC000045108056 175308682 /nfs/dbraw/zinc/30/86/82/175308682.db2.gz JWDFQOYMFSIEPR-UHFFFAOYSA-N 2 2 254.337 2.504 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C ZINC000045373323 175364952 /nfs/dbraw/zinc/36/49/52/175364952.db2.gz SMFJCALMVGQSRQ-UXLLHSPISA-N 2 2 298.471 2.676 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C ZINC000045373323 175364953 /nfs/dbraw/zinc/36/49/53/175364953.db2.gz SMFJCALMVGQSRQ-UXLLHSPISA-N 2 2 298.471 2.676 10 0 CFAELP COC(=O)[C@@](C)(CCCC[NH+]1CCC(C)CC1)[NH2+]C1CC1 ZINC000045374861 175365215 /nfs/dbraw/zinc/36/52/15/175365215.db2.gz GALRGDXZLYIDPG-QGZVFWFLSA-N 2 2 296.455 2.572 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373609 175365913 /nfs/dbraw/zinc/36/59/13/175365913.db2.gz VKQVBZYECYXWGL-UXLLHSPISA-N 2 2 298.471 2.676 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373609 175365914 /nfs/dbraw/zinc/36/59/14/175365914.db2.gz VKQVBZYECYXWGL-UXLLHSPISA-N 2 2 298.471 2.676 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[NH+](CC)CC)[NH2+]C1CC1 ZINC000045375879 175366395 /nfs/dbraw/zinc/36/63/95/175366395.db2.gz LGWFHPWQMRLISM-MRXNPFEDSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[NH+]1CCCCCC1)[NH2+]C ZINC000045377443 175367155 /nfs/dbraw/zinc/36/71/55/175367155.db2.gz LZZYVCGRZNGUCK-MRXNPFEDSA-N 2 2 284.444 2.574 10 0 CFAELP CCC[NH2+][C@@](C)(CCCC[NH+]1CCCCC1)C(=O)OC ZINC000045378261 175367706 /nfs/dbraw/zinc/36/77/06/175367706.db2.gz PSQBLBNTTYUZDI-INIZCTEOSA-N 2 2 284.444 2.574 10 0 CFAELP CC[NH2+][C@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045379722 175369166 /nfs/dbraw/zinc/36/91/66/175369166.db2.gz UASFCYKALHAIKH-HLLBOEOZSA-N 2 2 298.471 2.961 10 0 CFAELP CC[NH2+][C@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045379722 175369167 /nfs/dbraw/zinc/36/91/67/175369167.db2.gz UASFCYKALHAIKH-HLLBOEOZSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@H+](CC)CC(C)C)[NH2+]C1CC1 ZINC000045381897 175369982 /nfs/dbraw/zinc/36/99/82/175369982.db2.gz IRICNZSSXABBKH-QGZVFWFLSA-N 2 2 298.471 2.818 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@@H+](CC)CC(C)C)[NH2+]C1CC1 ZINC000045381897 175369984 /nfs/dbraw/zinc/36/99/84/175369984.db2.gz IRICNZSSXABBKH-QGZVFWFLSA-N 2 2 298.471 2.818 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@H+](C)C1CCCC1)[NH2+]C1CC1 ZINC000045384950 175372461 /nfs/dbraw/zinc/37/24/61/175372461.db2.gz GAAPVUAXSYIUKR-QGZVFWFLSA-N 2 2 296.455 2.715 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@@H+](C)C1CCCC1)[NH2+]C1CC1 ZINC000045384950 175372462 /nfs/dbraw/zinc/37/24/62/175372462.db2.gz GAAPVUAXSYIUKR-QGZVFWFLSA-N 2 2 296.455 2.715 10 0 CFAELP Cc1[nH+]c(C(C)C)nc(NC[C@H]2CCC[NH2+]C2)c1C ZINC000045954970 175389161 /nfs/dbraw/zinc/38/91/61/175389161.db2.gz RIZOZMAJROOZCN-ZDUSSCGKSA-N 2 2 262.401 2.628 10 0 CFAELP CC(C)COc1ccc([C@H]([C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000071572707 176198877 /nfs/dbraw/zinc/19/88/77/176198877.db2.gz BQTYFOPHWFBYTL-WFASDCNBSA-N 2 2 250.386 2.671 10 0 CFAELP CCCOc1ccc([C@@H]([C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000071594599 176217769 /nfs/dbraw/zinc/21/77/69/176217769.db2.gz RUHSYNBCOXEDAT-CZUORRHYSA-N 2 2 262.397 2.960 10 0 CFAELP CC(C)[C@@H](CC[NH3+])CCc1[nH+]c2ccccc2n1CCO ZINC000079253259 177458680 /nfs/dbraw/zinc/45/86/80/177458680.db2.gz ZGIRDISXMUEMJI-CQSZACIVSA-N 2 2 289.423 2.582 10 0 CFAELP C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000038044503 274248890 /nfs/dbraw/zinc/24/88/90/274248890.db2.gz LVXAUJWWKYGKOS-CABCVRRESA-N 2 2 285.391 2.950 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000179403372 276178734 /nfs/dbraw/zinc/17/87/34/276178734.db2.gz GEYGUJNKQPURSU-GJZGRUSLSA-N 2 2 275.440 2.888 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000179403372 276178735 /nfs/dbraw/zinc/17/87/35/276178735.db2.gz GEYGUJNKQPURSU-GJZGRUSLSA-N 2 2 275.440 2.888 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(OC)cc3C2)C1 ZINC000129513325 276178890 /nfs/dbraw/zinc/17/88/90/276178890.db2.gz QBFOTLINVRUEQU-SJORKVTESA-N 2 2 288.435 2.626 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(OC)cc3C2)C1 ZINC000129513325 276178891 /nfs/dbraw/zinc/17/88/91/276178891.db2.gz QBFOTLINVRUEQU-SJORKVTESA-N 2 2 288.435 2.626 10 0 CFAELP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000261627036 278000942 /nfs/dbraw/zinc/00/09/42/278000942.db2.gz ASCMEQNITLVEIK-WBMJQRKESA-N 2 2 270.376 2.770 10 0 CFAELP COc1ccc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000261627036 278000944 /nfs/dbraw/zinc/00/09/44/278000944.db2.gz ASCMEQNITLVEIK-WBMJQRKESA-N 2 2 270.376 2.770 10 0 CFAELP COc1cccc2c(N3CC[N@@H+]4CCC[C@@H]4C3)cc(C)[nH+]c12 ZINC000178215900 278023999 /nfs/dbraw/zinc/02/39/99/278023999.db2.gz UGAGXXDIRZTKKT-CQSZACIVSA-N 2 2 297.402 2.836 10 0 CFAELP COc1cccc2c(N3CC[N@H+]4CCC[C@@H]4C3)cc(C)[nH+]c12 ZINC000178215900 278024000 /nfs/dbraw/zinc/02/40/00/278024000.db2.gz UGAGXXDIRZTKKT-CQSZACIVSA-N 2 2 297.402 2.836 10 0 CFAELP CSC[C@H](C)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000131591570 278137269 /nfs/dbraw/zinc/13/72/69/278137269.db2.gz QGANJUSACVZWQN-GOEBONIOSA-N 2 2 278.465 2.645 10 0 CFAELP CSC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000131591570 278137271 /nfs/dbraw/zinc/13/72/71/278137271.db2.gz QGANJUSACVZWQN-GOEBONIOSA-N 2 2 278.465 2.645 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000183789278 279133839 /nfs/dbraw/zinc/13/38/39/279133839.db2.gz JBRDHZAZILOKPJ-UONOGXRCSA-N 2 2 286.460 2.673 10 0 CFAELP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000261914674 280376670 /nfs/dbraw/zinc/37/66/70/280376670.db2.gz JSAKWWXSLPELLY-CYBMUJFWSA-N 2 2 272.314 2.937 10 0 CFAELP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000261914674 280376671 /nfs/dbraw/zinc/37/66/71/280376671.db2.gz JSAKWWXSLPELLY-CYBMUJFWSA-N 2 2 272.314 2.937 10 0 CFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@@H]2C=CCCC2)C1 ZINC000248647184 281030503 /nfs/dbraw/zinc/03/05/03/281030503.db2.gz ICJZDSUFRIUSML-ZWKOTPCHSA-N 2 2 285.435 2.944 10 0 CFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@@H]2C=CCCC2)C1 ZINC000248647184 281030506 /nfs/dbraw/zinc/03/05/06/281030506.db2.gz ICJZDSUFRIUSML-ZWKOTPCHSA-N 2 2 285.435 2.944 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000248647184 281030509 /nfs/dbraw/zinc/03/05/09/281030509.db2.gz ICJZDSUFRIUSML-ZWKOTPCHSA-N 2 2 285.435 2.944 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000248647184 281030511 /nfs/dbraw/zinc/03/05/11/281030511.db2.gz ICJZDSUFRIUSML-ZWKOTPCHSA-N 2 2 285.435 2.944 10 0 CFAELP CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396614089 281196084 /nfs/dbraw/zinc/19/60/84/281196084.db2.gz ALUNRFXDAJVLAF-XEZPLFJOSA-N 2 2 262.397 2.876 10 0 CFAELP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396644058 281197134 /nfs/dbraw/zinc/19/71/34/281197134.db2.gz QDMUMRKVKBLYDY-GZBFAFLISA-N 2 2 262.397 2.795 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cncc(Br)c2)C1 ZINC000566499857 290396241 /nfs/dbraw/zinc/39/62/41/290396241.db2.gz AYOGCINHODPJBQ-ZWNOBZJWSA-N 2 2 298.228 2.589 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cncc(Br)c2)C1 ZINC000566499857 290396243 /nfs/dbraw/zinc/39/62/43/290396243.db2.gz AYOGCINHODPJBQ-ZWNOBZJWSA-N 2 2 298.228 2.589 10 0 CFAELP [NH3+]C[C@@H]1CC[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000382453651 324429092 /nfs/dbraw/zinc/42/90/92/324429092.db2.gz HOMSDYRNVIBZOM-PSASIEDQSA-N 2 2 259.275 2.640 10 0 CFAELP CC(C)C[NH2+]CCC[N@@H+]1CCc2sccc2C1 ZINC000052382940 519743831 /nfs/dbraw/zinc/74/38/31/519743831.db2.gz HSFUSLZVYCHMPV-UHFFFAOYSA-N 2 2 252.427 2.742 10 0 CFAELP CC(C)C[NH2+]CCC[N@H+]1CCc2sccc2C1 ZINC000052382940 519743832 /nfs/dbraw/zinc/74/38/32/519743832.db2.gz HSFUSLZVYCHMPV-UHFFFAOYSA-N 2 2 252.427 2.742 10 0 CFAELP CCC[NH2+]C[C@@H](C(C)C)[N@H+](C)CCc1ccncc1 ZINC000052483011 519920508 /nfs/dbraw/zinc/92/05/08/519920508.db2.gz XEFBODGLEJNRBL-INIZCTEOSA-N 2 2 263.429 2.580 10 0 CFAELP CCC[NH2+]C[C@@H](C(C)C)[N@@H+](C)CCc1ccncc1 ZINC000052483011 519920510 /nfs/dbraw/zinc/92/05/10/519920510.db2.gz XEFBODGLEJNRBL-INIZCTEOSA-N 2 2 263.429 2.580 10 0 CFAELP CC(C)(C)[NH2+]Cc1nc(C[NH+]2CCSCC2)cs1 ZINC000052425456 518769258 /nfs/dbraw/zinc/76/92/58/518769258.db2.gz BPJRCTYZXGCSCC-UHFFFAOYSA-N 2 2 285.482 2.580 10 0 CFAELP CC(C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000053012377 519723660 /nfs/dbraw/zinc/72/36/60/519723660.db2.gz BCLRLKUTANKFJR-ZDUSSCGKSA-N 2 2 250.361 2.646 10 0 CFAELP CC(C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000053012377 519723661 /nfs/dbraw/zinc/72/36/61/519723661.db2.gz BCLRLKUTANKFJR-ZDUSSCGKSA-N 2 2 250.361 2.646 10 0 CFAELP CC(C)[NH2+]Cc1cc(C[N@H+](Cc2ccco2)C2CC2)on1 ZINC000052370865 519726221 /nfs/dbraw/zinc/72/62/21/519726221.db2.gz WZZHAGSYQPKNOT-UHFFFAOYSA-N 2 2 289.379 2.930 10 0 CFAELP CC(C)[NH2+]Cc1cc(C[N@@H+](Cc2ccco2)C2CC2)on1 ZINC000052370865 519726223 /nfs/dbraw/zinc/72/62/23/519726223.db2.gz WZZHAGSYQPKNOT-UHFFFAOYSA-N 2 2 289.379 2.930 10 0 CFAELP CC(C)C[NH2+]Cc1ccoc1C[N@@H+]1CCOC(C)(C)C1 ZINC000052481783 519748082 /nfs/dbraw/zinc/74/80/82/519748082.db2.gz LHGADDVEQFXKTD-UHFFFAOYSA-N 2 2 280.412 2.636 10 0 CFAELP CC(C)C[NH2+]Cc1ccoc1C[N@H+]1CCOC(C)(C)C1 ZINC000052481783 519748083 /nfs/dbraw/zinc/74/80/83/519748083.db2.gz LHGADDVEQFXKTD-UHFFFAOYSA-N 2 2 280.412 2.636 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000049197846 519814708 /nfs/dbraw/zinc/81/47/08/519814708.db2.gz YAMNQQUJWYRZBO-CABCVRRESA-N 2 2 262.397 2.555 10 0 CFAELP CC(C)c1ccc([C@@H](O)C[NH2+][C@H](C)C[NH+]2CCCC2)cc1 ZINC000048556361 519839311 /nfs/dbraw/zinc/83/93/11/519839311.db2.gz RLGCJVNUHBHKRX-QAPCUYQASA-N 2 2 290.451 2.917 10 0 CFAELP CCCC1CC[NH+]([C@H](c2ccncc2)[C@H](C)[NH3+])CC1 ZINC000050893109 519903099 /nfs/dbraw/zinc/90/30/99/519903099.db2.gz OANXJELCXHZMPL-BBRMVZONSA-N 2 2 261.413 2.982 10 0 CFAELP CCC[NH2+]C[C@@H](C)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374689 519920356 /nfs/dbraw/zinc/92/03/56/519920356.db2.gz VTKHDDOKBANVQX-OAHLLOKOSA-N 2 2 293.430 2.583 10 0 CFAELP CC[NH2+]Cc1cc(F)c(-n2c[nH+]c(C)c2C)c(F)c1 ZINC000062719842 519994033 /nfs/dbraw/zinc/99/40/33/519994033.db2.gz SVTKJMJQOYYQAU-UHFFFAOYSA-N 2 2 265.307 2.877 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[NH+]1CCC(CCC)CC1 ZINC000050893682 520025554 /nfs/dbraw/zinc/02/55/54/520025554.db2.gz HSEYAUGHVVAUNY-CVEARBPZSA-N 2 2 268.445 2.656 10 0 CFAELP CCOc1ccc(OCC[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc1 ZINC000078505392 521172515 /nfs/dbraw/zinc/17/25/15/521172515.db2.gz FUPGAYCQAFPEAI-YOEHRIQHSA-N 2 2 292.423 2.523 10 0 CFAELP CCOc1ccc(OCC[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc1 ZINC000078505392 521172523 /nfs/dbraw/zinc/17/25/23/521172523.db2.gz FUPGAYCQAFPEAI-YOEHRIQHSA-N 2 2 292.423 2.523 10 0 CFAELP CCCC[C@](CC)(C[NH3+])[NH+]1CCN(c2ccccn2)CC1 ZINC000069379481 521256254 /nfs/dbraw/zinc/25/62/54/521256254.db2.gz LHRZPRCXMFQWTG-QGZVFWFLSA-N 2 2 290.455 2.501 10 0 CFAELP CCOc1cccc(C[NH2+][C@H](C)CC[NH+](C)C)c1OC ZINC000049554084 521372936 /nfs/dbraw/zinc/37/29/36/521372936.db2.gz ACLKSNXNAHXVIQ-CYBMUJFWSA-N 2 2 280.412 2.524 10 0 CFAELP CCN(c1[nH+]c(C)cc(C)c1C[NH2+]C1CC1)[C@H](C)COC ZINC000051480428 521506258 /nfs/dbraw/zinc/50/62/58/521506258.db2.gz WZIAPMVOPGZEBN-CQSZACIVSA-N 2 2 291.439 2.812 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000157379187 521649387 /nfs/dbraw/zinc/64/93/87/521649387.db2.gz QROXGJNTWPLZAL-ZFWWWQNUSA-N 2 2 264.388 2.831 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000157379187 521649390 /nfs/dbraw/zinc/64/93/90/521649390.db2.gz QROXGJNTWPLZAL-ZFWWWQNUSA-N 2 2 264.388 2.831 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052203796 521953380 /nfs/dbraw/zinc/95/33/80/521953380.db2.gz JDORKCYWRFZBPJ-SFHVURJKSA-N 3 2 289.467 2.522 10 0 CFAELP CC[C@H](C[NH2+]C1CC1)[N@H+](C)Cc1cccc(F)c1 ZINC000052425239 522191937 /nfs/dbraw/zinc/19/19/37/522191937.db2.gz MUMRLGKWIXCKJO-OAHLLOKOSA-N 2 2 250.361 2.788 10 0 CFAELP CC[C@H](C[NH2+]C1CC1)[N@@H+](C)Cc1cccc(F)c1 ZINC000052425239 522191944 /nfs/dbraw/zinc/19/19/44/522191944.db2.gz MUMRLGKWIXCKJO-OAHLLOKOSA-N 2 2 250.361 2.788 10 0 CFAELP CC[C@H]([NH3+])Cc1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000049328976 522333064 /nfs/dbraw/zinc/33/30/64/522333064.db2.gz JZKFACMPHNEJKN-HNNXBMFYSA-N 2 2 273.380 2.632 10 0 CFAELP CC[C@H]([NH3+])c1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000049327077 522346351 /nfs/dbraw/zinc/34/63/51/522346351.db2.gz OGBCGKSAFFNVRG-HNNXBMFYSA-N 2 2 259.353 2.762 10 0 CFAELP C[NH2+][C@@H]1c2ccccc2C[C@H]1[NH+]1Cc2ccccc2C1 ZINC000050910894 522403505 /nfs/dbraw/zinc/40/35/05/522403505.db2.gz NISGBDKNCUOQPO-QZTJIDSGSA-N 2 2 264.372 2.888 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCSC)C1 ZINC000173698727 522593771 /nfs/dbraw/zinc/59/37/71/522593771.db2.gz VDYOCZRUFYXSTK-CYBMUJFWSA-N 2 2 267.442 2.836 10 0 CFAELP CC[C@H]([NH2+][C@H](C)C[NH+]1CCCC1)c1ccc(O)cc1 ZINC000049149490 522734060 /nfs/dbraw/zinc/73/40/60/522734060.db2.gz RJLDAXLWMHZDJO-CJNGLKHVSA-N 2 2 262.397 2.917 10 0 CFAELP CCn1ccnc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516363 523535099 /nfs/dbraw/zinc/53/50/99/523535099.db2.gz UNJLVNVNPVWKHC-HNNXBMFYSA-N 2 2 299.422 2.540 10 0 CFAELP CCn1ccnc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516363 523535115 /nfs/dbraw/zinc/53/51/15/523535115.db2.gz UNJLVNVNPVWKHC-HNNXBMFYSA-N 2 2 299.422 2.540 10 0 CFAELP CCn1cc[nH+]c1N(CCC[NH3+])c1ccccc1F ZINC000050607884 523546755 /nfs/dbraw/zinc/54/67/55/523546755.db2.gz YIEQKNFGFZGIGE-UHFFFAOYSA-N 2 2 262.332 2.529 10 0 CFAELP CC[C@H](C)[N@H+](CCOC)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069266516 523938665 /nfs/dbraw/zinc/93/86/65/523938665.db2.gz NGIAIEHEADBGDL-XJKSGUPXSA-N 2 2 262.397 2.578 10 0 CFAELP CC[C@H](C)[N@@H+](CCOC)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069266516 523938667 /nfs/dbraw/zinc/93/86/67/523938667.db2.gz NGIAIEHEADBGDL-XJKSGUPXSA-N 2 2 262.397 2.578 10 0 CFAELP CC[C@H](C)[N@H+](CCOC)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546466 523939780 /nfs/dbraw/zinc/93/97/80/523939780.db2.gz QLPPZCSIVSBTFE-BBRMVZONSA-N 2 2 282.403 2.881 10 0 CFAELP CC[C@H](C)[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546466 523939783 /nfs/dbraw/zinc/93/97/83/523939783.db2.gz QLPPZCSIVSBTFE-BBRMVZONSA-N 2 2 282.403 2.881 10 0 CFAELP C[C@H](C[NH2+]CCCOc1ccccc1)[NH+]1CCCCC1 ZINC000061815771 524482717 /nfs/dbraw/zinc/48/27/17/524482717.db2.gz VDVCFIQYUAFAOP-MRXNPFEDSA-N 2 2 276.424 2.920 10 0 CFAELP C[C@H](Cn1cc[nH+]c1)n1c(N)[nH+]c2cccc(Cl)c21 ZINC000049236350 524796484 /nfs/dbraw/zinc/79/64/84/524796484.db2.gz WZOXHVXPLQJSFW-SECBINFHSA-N 2 2 275.743 2.730 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000050596408 525353087 /nfs/dbraw/zinc/35/30/87/525353087.db2.gz AVEXDFKSDHLSAO-ZFWWWQNUSA-N 2 2 262.397 2.878 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+]2CCCC[C@@H]2C)cc1C ZINC000050596408 525353094 /nfs/dbraw/zinc/35/30/94/525353094.db2.gz AVEXDFKSDHLSAO-ZFWWWQNUSA-N 2 2 262.397 2.878 10 0 CFAELP Cc1cc([C@@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)ccc1F ZINC000050546026 525481020 /nfs/dbraw/zinc/48/10/20/525481020.db2.gz DKEVGMIYBLUWFK-TZMCWYRMSA-N 2 2 268.401 2.571 10 0 CFAELP Cc1cc([C@@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)ccc1F ZINC000050546026 525481027 /nfs/dbraw/zinc/48/10/27/525481027.db2.gz DKEVGMIYBLUWFK-TZMCWYRMSA-N 2 2 268.401 2.571 10 0 CFAELP Cc1cc([C@H](C[NH3+])[NH+]2CCC(C)CC2)ccc1F ZINC000050545798 525536219 /nfs/dbraw/zinc/53/62/19/525536219.db2.gz YBJCXBNBCMRUFM-HNNXBMFYSA-N 2 2 250.361 2.866 10 0 CFAELP Fc1cc2[nH]c(CC[C@H]3CCCC[NH2+]3)[nH+]c2cc1F ZINC000050926801 526312718 /nfs/dbraw/zinc/31/27/18/526312718.db2.gz LKFQIJDMGGCSEN-SECBINFHSA-N 2 2 265.307 2.916 10 0 CFAELP Cc1oc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1C[NH2+]C(C)C ZINC000052476390 526772907 /nfs/dbraw/zinc/77/29/07/526772907.db2.gz DEVFILSRHTWGCD-STQMWFEESA-N 2 2 280.412 2.695 10 0 CFAELP Cc1oc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cc1C[NH2+]C(C)C ZINC000052476390 526772914 /nfs/dbraw/zinc/77/29/14/526772914.db2.gz DEVFILSRHTWGCD-STQMWFEESA-N 2 2 280.412 2.695 10 0 CFAELP Cc1nc(C[NH2+]CC[C@@H]([NH3+])c2ccccc2)cs1 ZINC000049539055 526887734 /nfs/dbraw/zinc/88/77/34/526887734.db2.gz LMCNDSZIUGWNCL-CQSZACIVSA-N 2 2 261.394 2.631 10 0 CFAELP Cn1c(CC[C@@H]2CCCC[NH2+]2)[nH+]c2cc(F)ccc21 ZINC000050926842 527051170 /nfs/dbraw/zinc/05/11/70/527051170.db2.gz RYQCJFGNUNNNHQ-LBPRGKRZSA-N 2 2 261.344 2.787 10 0 CFAELP [NH3+]Cc1cc(N(Cc2ccccc2)C2CC2)cc[nH+]1 ZINC000061811570 527248693 /nfs/dbraw/zinc/24/86/93/527248693.db2.gz MTWNCMJDHXNZMX-UHFFFAOYSA-N 2 2 253.349 2.709 10 0 CFAELP Cc1nc(N[C@H](CCC[NH3+])c2ccccc2)cc[nH+]1 ZINC000312124854 527352884 /nfs/dbraw/zinc/35/28/84/527352884.db2.gz YQGZMXHVMFVBDZ-CQSZACIVSA-N 2 2 256.353 2.677 10 0 CFAELP CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1ccc([NH+](C)C)cc1 ZINC000083545990 536169726 /nfs/dbraw/zinc/16/97/26/536169726.db2.gz XTTFOEZPOCJCOJ-YOEHRIQHSA-N 2 2 275.440 2.965 10 0 CFAELP CC[C@@H]1C[C@@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)CCO1 ZINC000251526202 574265787 /nfs/dbraw/zinc/26/57/87/574265787.db2.gz GQEJHXQOLSOVRC-RRFJBIMHSA-N 2 2 256.434 2.510 10 0 CFAELP CC[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1cccc(Cl)c1 ZINC000399177893 619089160 /nfs/dbraw/zinc/08/91/60/619089160.db2.gz KKCLFSFTTNCSBH-INIZCTEOSA-N 2 2 296.842 2.837 10 0 CFAELP [NH3+][C@@H]1CC[C@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000227648548 623115396 /nfs/dbraw/zinc/11/53/96/623115396.db2.gz XCAHKAXTUREJLB-WCBMZHEXSA-N 2 2 259.275 2.640 10 0 CFAELP Cc1coc2c1[C@@H](C[NH3+])C[N@H+](Cc1ccccc1)C2 ZINC000096957305 185141256 /nfs/dbraw/zinc/14/12/56/185141256.db2.gz DRQISAOLNMNEEW-AWEZNQCLSA-N 2 2 256.349 2.646 10 0 CFAELP Cc1coc2c1[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C2 ZINC000096957305 185141258 /nfs/dbraw/zinc/14/12/58/185141258.db2.gz DRQISAOLNMNEEW-AWEZNQCLSA-N 2 2 256.349 2.646 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCSC)C1 ZINC000173698727 522593778 /nfs/dbraw/zinc/59/37/78/522593778.db2.gz VDYOCZRUFYXSTK-CYBMUJFWSA-N 2 2 267.442 2.836 10 0 CFAELP CCc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccccn1 ZINC000060394314 346665114 /nfs/dbraw/zinc/66/51/14/346665114.db2.gz PYKOLSATIMALOO-UHFFFAOYSA-N 2 2 280.375 2.784 10 0 CFAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCCOc1ccc(Cl)cc1 ZINC000123439241 347819816 /nfs/dbraw/zinc/81/98/16/347819816.db2.gz CVHLCVDDODCURZ-ZDUSSCGKSA-N 2 2 268.788 2.532 10 0 CFAELP [NH3+]C[C@@H]1CCC[N@H+]1CCCOc1ccc(Cl)cc1 ZINC000123439241 347819820 /nfs/dbraw/zinc/81/98/20/347819820.db2.gz CVHLCVDDODCURZ-ZDUSSCGKSA-N 2 2 268.788 2.532 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000127391365 347840878 /nfs/dbraw/zinc/84/08/78/347840878.db2.gz GXFDQPFKBDMPLX-TZMCWYRMSA-N 2 2 255.365 2.717 10 0 CFAELP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1nc2ccccc2[nH]1 ZINC000086819055 179348271 /nfs/dbraw/zinc/34/82/71/179348271.db2.gz MJOWURXENKPEEI-QWHCGFSZSA-N 2 2 272.396 2.698 10 0 CFAELP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1nc2ccccc2[nH]1 ZINC000086819055 179348273 /nfs/dbraw/zinc/34/82/73/179348273.db2.gz MJOWURXENKPEEI-QWHCGFSZSA-N 2 2 272.396 2.698 10 0 CFAELP CC[NH2+][C@]1(c2nc(C)c(C)s2)CCC[N@H+](C)CC1 ZINC000086833662 179349747 /nfs/dbraw/zinc/34/97/47/179349747.db2.gz UCQOKUXKDZOCIS-CQSZACIVSA-N 2 2 267.442 2.680 10 0 CFAELP CC[NH2+][C@]1(c2nc(C)c(C)s2)CCC[N@@H+](C)CC1 ZINC000086833662 179349749 /nfs/dbraw/zinc/34/97/49/179349749.db2.gz UCQOKUXKDZOCIS-CQSZACIVSA-N 2 2 267.442 2.680 10 0 CFAELP C[N@@H+]1CCC[C@@H](Nc2ccc[nH+]c2N2CCCC2)CC1 ZINC000086817606 179345948 /nfs/dbraw/zinc/34/59/48/179345948.db2.gz FARMRCXTSWKNEW-CQSZACIVSA-N 2 2 274.412 2.578 10 0 CFAELP C[N@H+]1CCC[C@@H](Nc2ccc[nH+]c2N2CCCC2)CC1 ZINC000086817606 179345950 /nfs/dbraw/zinc/34/59/50/179345950.db2.gz FARMRCXTSWKNEW-CQSZACIVSA-N 2 2 274.412 2.578 10 0 CFAELP C[N@@H+]1CCC[C@@H](Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000086817638 179346001 /nfs/dbraw/zinc/34/60/01/179346001.db2.gz YJAXDXCTLKUSNB-CQSZACIVSA-N 2 2 270.380 2.769 10 0 CFAELP C[N@H+]1CCC[C@@H](Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000086817638 179346003 /nfs/dbraw/zinc/34/60/03/179346003.db2.gz YJAXDXCTLKUSNB-CQSZACIVSA-N 2 2 270.380 2.769 10 0 CFAELP [NH3+]C[C@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000584620997 348692690 /nfs/dbraw/zinc/69/26/90/348692690.db2.gz BQCPLFWSXRVBGH-AAEUAGOBSA-N 2 2 290.304 2.580 10 0 CFAELP [NH3+]C[C@H](Cc1ccc(F)cc1)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000584620997 348692695 /nfs/dbraw/zinc/69/26/95/348692695.db2.gz BQCPLFWSXRVBGH-AAEUAGOBSA-N 2 2 290.304 2.580 10 0 CFAELP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@@H](O)C2)n1-c1ccccc1 ZINC000092128844 539673025 /nfs/dbraw/zinc/67/30/25/539673025.db2.gz BFCKNCZWUFPHSJ-WMLDXEAASA-N 2 2 285.391 2.574 10 0 CFAELP CC[C@@]1(C)C[N@H+](Cc2nn(C)c3ccccc23)CCC[NH2+]1 ZINC000089180343 179744496 /nfs/dbraw/zinc/74/44/96/179744496.db2.gz JFWACGJTSUBZFA-KRWDZBQOSA-N 2 2 286.423 2.537 10 0 CFAELP CC[C@@]1(C)C[N@@H+](Cc2nn(C)c3ccccc23)CCC[NH2+]1 ZINC000089180343 179744498 /nfs/dbraw/zinc/74/44/98/179744498.db2.gz JFWACGJTSUBZFA-KRWDZBQOSA-N 2 2 286.423 2.537 10 0 CFAELP CC1(C[NH2+]C[C@@H]2Cc3ccccc3C[NH2+]2)CCCC1 ZINC000104433606 186000288 /nfs/dbraw/zinc/00/02/88/186000288.db2.gz LAFYPBIWZUZECS-INIZCTEOSA-N 2 2 258.409 2.871 10 0 CFAELP Cc1ncsc1C[N@@H+](C)[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000104448242 186006296 /nfs/dbraw/zinc/00/62/96/186006296.db2.gz AIJMCNXALGQNLA-SMDDNHRTSA-N 2 2 267.442 2.791 10 0 CFAELP Cc1ncsc1C[N@H+](C)[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000104448242 186006298 /nfs/dbraw/zinc/00/62/98/186006298.db2.gz AIJMCNXALGQNLA-SMDDNHRTSA-N 2 2 267.442 2.791 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000105922770 186090836 /nfs/dbraw/zinc/09/08/36/186090836.db2.gz ANAIAUICVIFKPX-FVOPLDGLSA-N 2 2 253.777 2.835 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000105922770 186090837 /nfs/dbraw/zinc/09/08/37/186090837.db2.gz ANAIAUICVIFKPX-FVOPLDGLSA-N 2 2 253.777 2.835 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000105896344 186086043 /nfs/dbraw/zinc/08/60/43/186086043.db2.gz UDODRAXTZCNRKL-CABCVRRESA-N 2 2 277.412 2.652 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000105896344 186086044 /nfs/dbraw/zinc/08/60/44/186086044.db2.gz UDODRAXTZCNRKL-CABCVRRESA-N 2 2 277.412 2.652 10 0 CFAELP CC[N@@H+]1CCO[C@@H](CNc2[nH+]c3ccccc3cc2C)C1 ZINC000133199773 539802528 /nfs/dbraw/zinc/80/25/28/539802528.db2.gz LXWHSKQEODKOBL-HNNXBMFYSA-N 2 2 285.391 2.676 10 0 CFAELP CC[N@H+]1CCO[C@@H](CNc2[nH+]c3ccccc3cc2C)C1 ZINC000133199773 539802530 /nfs/dbraw/zinc/80/25/30/539802530.db2.gz LXWHSKQEODKOBL-HNNXBMFYSA-N 2 2 285.391 2.676 10 0 CFAELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(CC(C)C)cc2)C1 ZINC000134620697 539839603 /nfs/dbraw/zinc/83/96/03/539839603.db2.gz KQFFSNZZJJNFON-SFHVURJKSA-N 2 2 290.451 2.695 10 0 CFAELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(CC(C)C)cc2)C1 ZINC000134620697 539839607 /nfs/dbraw/zinc/83/96/07/539839607.db2.gz KQFFSNZZJJNFON-SFHVURJKSA-N 2 2 290.451 2.695 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2ccccc2Cl)C1 ZINC000616603199 352381452 /nfs/dbraw/zinc/38/14/52/352381452.db2.gz CMXRYZXWTOGQJF-LBPRGKRZSA-N 2 2 252.789 2.868 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@H](c2ccccc2Cl)C1 ZINC000616603199 352381455 /nfs/dbraw/zinc/38/14/55/352381455.db2.gz CMXRYZXWTOGQJF-LBPRGKRZSA-N 2 2 252.789 2.868 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1ccc2ncccc2c1 ZINC000616614109 352384822 /nfs/dbraw/zinc/38/48/22/352384822.db2.gz AADJMFJZSVXHKJ-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1ccc2ncccc2c1 ZINC000616614109 352384823 /nfs/dbraw/zinc/38/48/23/352384823.db2.gz AADJMFJZSVXHKJ-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP Nc1ccc(C2CC[NH+](Cc3ccccc3)CC2)c[nH+]1 ZINC000616621367 352387269 /nfs/dbraw/zinc/38/72/69/352387269.db2.gz PXVAIGNNHHRQII-UHFFFAOYSA-N 2 2 267.376 2.874 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2cccc(Cl)c2)C1 ZINC000616627492 352389642 /nfs/dbraw/zinc/38/96/42/352389642.db2.gz IDTRWVDBWKJGAH-ZDUSSCGKSA-N 2 2 252.789 2.868 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@H](c2cccc(Cl)c2)C1 ZINC000616627492 352389649 /nfs/dbraw/zinc/38/96/49/352389649.db2.gz IDTRWVDBWKJGAH-ZDUSSCGKSA-N 2 2 252.789 2.868 10 0 CFAELP Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000136081203 539878937 /nfs/dbraw/zinc/87/89/37/539878937.db2.gz GHOBJRISQYBGGW-INIZCTEOSA-N 2 2 255.365 2.856 10 0 CFAELP Cc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000136081203 539878939 /nfs/dbraw/zinc/87/89/39/539878939.db2.gz GHOBJRISQYBGGW-INIZCTEOSA-N 2 2 255.365 2.856 10 0 CFAELP CNc1ccc([C@@H]2c3ccccc3CC[N@H+]2CC[NH3+])cc1 ZINC000616680127 352410256 /nfs/dbraw/zinc/41/02/56/352410256.db2.gz LXCZAPCTTMREGS-GOSISDBHSA-N 2 2 281.403 2.635 10 0 CFAELP CNc1ccc([C@@H]2c3ccccc3CC[N@@H+]2CC[NH3+])cc1 ZINC000616680127 352410261 /nfs/dbraw/zinc/41/02/61/352410261.db2.gz LXCZAPCTTMREGS-GOSISDBHSA-N 2 2 281.403 2.635 10 0 CFAELP CCNc1[nH+]cnc(N(C)C[C@H]2CCC[N@@H+]2C)c1C(C)C ZINC000157180224 188302446 /nfs/dbraw/zinc/30/24/46/188302446.db2.gz SMFAMAHTTJIDNZ-CYBMUJFWSA-N 2 2 291.443 2.562 10 0 CFAELP CCNc1[nH+]cnc(N(C)C[C@H]2CCC[N@H+]2C)c1C(C)C ZINC000157180224 188302448 /nfs/dbraw/zinc/30/24/48/188302448.db2.gz SMFAMAHTTJIDNZ-CYBMUJFWSA-N 2 2 291.443 2.562 10 0 CFAELP C[C@H]1C[N@H+](Cc2ccc(Cl)cc2F)C[C@@H]1C[NH3+] ZINC000631838574 355601395 /nfs/dbraw/zinc/60/13/95/355601395.db2.gz QPRBWHRBBJOYQN-ONGXEEELSA-N 2 2 256.752 2.506 10 0 CFAELP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2F)C[C@@H]1C[NH3+] ZINC000631838574 355601401 /nfs/dbraw/zinc/60/14/01/355601401.db2.gz QPRBWHRBBJOYQN-ONGXEEELSA-N 2 2 256.752 2.506 10 0 CFAELP C[C@@H]1C[N@H+](Cc2c(F)cccc2Cl)C[C@@H]1C[NH3+] ZINC000631845202 355604180 /nfs/dbraw/zinc/60/41/80/355604180.db2.gz VSDOTDDJNMGRFP-ZJUUUORDSA-N 2 2 256.752 2.506 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2c(F)cccc2Cl)C[C@@H]1C[NH3+] ZINC000631845202 355604182 /nfs/dbraw/zinc/60/41/82/355604182.db2.gz VSDOTDDJNMGRFP-ZJUUUORDSA-N 2 2 256.752 2.506 10 0 CFAELP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889018 355614836 /nfs/dbraw/zinc/61/48/36/355614836.db2.gz BMCWBICFLVGTGA-BFHYXJOUSA-N 2 2 272.383 2.886 10 0 CFAELP FC1(F)CCCC[C@@H]1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889018 355614839 /nfs/dbraw/zinc/61/48/39/355614839.db2.gz BMCWBICFLVGTGA-BFHYXJOUSA-N 2 2 272.383 2.886 10 0 CFAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cccc(Br)c1 ZINC000211996930 540188636 /nfs/dbraw/zinc/18/86/36/540188636.db2.gz BUNHDTKIUGNABG-VXGBXAGGSA-N 2 2 269.186 2.543 10 0 CFAELP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cccc(Br)c1 ZINC000211996930 540188638 /nfs/dbraw/zinc/18/86/38/540188638.db2.gz BUNHDTKIUGNABG-VXGBXAGGSA-N 2 2 269.186 2.543 10 0 CFAELP COc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1F ZINC000151964808 540401605 /nfs/dbraw/zinc/40/16/05/540401605.db2.gz UPHKCONDABZNKD-AWEZNQCLSA-N 2 2 289.354 2.695 10 0 CFAELP CC[C@@H]1C[C@@H]([NH2+][C@H](C[NH+](C)C)c2ccccc2)CCO1 ZINC000251692721 540549092 /nfs/dbraw/zinc/54/90/92/540549092.db2.gz PZJPHSDWLBKEIB-GVDBMIGSSA-N 2 2 276.424 2.837 10 0 CFAELP C[C@@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)C1CC1 ZINC000177354928 189045712 /nfs/dbraw/zinc/04/57/12/189045712.db2.gz URPSEGZKKJISGE-GFCCVEGCSA-N 2 2 257.381 2.894 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000178747658 189142705 /nfs/dbraw/zinc/14/27/05/189142705.db2.gz PSDHLDYFLYBVNZ-KRWDZBQOSA-N 2 2 297.402 2.791 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000178747658 189142706 /nfs/dbraw/zinc/14/27/06/189142706.db2.gz PSDHLDYFLYBVNZ-KRWDZBQOSA-N 2 2 297.402 2.791 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000178754368 189143224 /nfs/dbraw/zinc/14/32/24/189143224.db2.gz UALJLXHPHCCKQE-QGZVFWFLSA-N 2 2 269.392 2.899 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000178754368 189143225 /nfs/dbraw/zinc/14/32/25/189143225.db2.gz UALJLXHPHCCKQE-QGZVFWFLSA-N 2 2 269.392 2.899 10 0 CFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)CC(C)C)nc[nH+]1 ZINC000180576218 189263177 /nfs/dbraw/zinc/26/31/77/189263177.db2.gz HWHTXVODSHUGDO-ZIAGYGMSSA-N 2 2 291.443 2.511 10 0 CFAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc3c(c2)OCCCO3)C1 ZINC000037675132 372688452 /nfs/dbraw/zinc/68/84/52/372688452.db2.gz QRMZZAZUBRCGMS-HIFRSBDPSA-N 2 2 290.407 2.580 10 0 CFAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccc3c(c2)OCCCO3)C1 ZINC000037675132 372688461 /nfs/dbraw/zinc/68/84/61/372688461.db2.gz QRMZZAZUBRCGMS-HIFRSBDPSA-N 2 2 290.407 2.580 10 0 CFAELP COCC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000061374971 373715664 /nfs/dbraw/zinc/71/56/64/373715664.db2.gz PRSXTSPBHIMZEQ-HUUCEWRRSA-N 2 2 270.461 2.759 10 0 CFAELP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000061374971 373715674 /nfs/dbraw/zinc/71/56/74/373715674.db2.gz PRSXTSPBHIMZEQ-HUUCEWRRSA-N 2 2 270.461 2.759 10 0 CFAELP Cc1[nH+]c(-c2ccncc2)nc(NCC2CC[NH2+]CC2)c1C ZINC000070456020 374179610 /nfs/dbraw/zinc/17/96/10/374179610.db2.gz NJFCAJJAMAPIBD-UHFFFAOYSA-N 2 2 297.406 2.567 10 0 CFAELP FC(F)(F)c1cc[nH+]c(NCC[C@@H]2CC[NH2+]C2)c1 ZINC000090803971 375031918 /nfs/dbraw/zinc/03/19/18/375031918.db2.gz RXISZXQAHVDFHH-VIFPVBQESA-N 2 2 259.275 2.512 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000094370383 375357632 /nfs/dbraw/zinc/35/76/32/375357632.db2.gz LRAPWPPHMWKRGT-LSDHHAIUSA-N 2 2 268.445 2.654 10 0 CFAELP c1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)no1 ZINC000679574925 542210648 /nfs/dbraw/zinc/21/06/48/542210648.db2.gz NNDGCWIAGFAUPT-RYQLBKOJSA-N 2 2 297.402 2.675 10 0 CFAELP c1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)no1 ZINC000679574925 542210652 /nfs/dbraw/zinc/21/06/52/542210652.db2.gz NNDGCWIAGFAUPT-RYQLBKOJSA-N 2 2 297.402 2.675 10 0 CFAELP Cc1[nH+]cn(CC[N@@H+](C)Cc2ccc(F)cc2)c1C ZINC000131213387 377677157 /nfs/dbraw/zinc/67/71/57/377677157.db2.gz AUFVIUSLAQQTDA-UHFFFAOYSA-N 2 2 261.344 2.771 10 0 CFAELP Cc1[nH+]cn(CC[N@H+](C)Cc2ccc(F)cc2)c1C ZINC000131213387 377677163 /nfs/dbraw/zinc/67/71/63/377677163.db2.gz AUFVIUSLAQQTDA-UHFFFAOYSA-N 2 2 261.344 2.771 10 0 CFAELP CSCCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000173779161 379777271 /nfs/dbraw/zinc/77/72/71/379777271.db2.gz GVBJHIUKFQHZJV-CYBMUJFWSA-N 2 2 265.426 2.569 10 0 CFAELP CSCCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000173779161 379777278 /nfs/dbraw/zinc/77/72/78/379777278.db2.gz GVBJHIUKFQHZJV-CYBMUJFWSA-N 2 2 265.426 2.569 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccnc1C ZINC000180131811 380623819 /nfs/dbraw/zinc/62/38/19/380623819.db2.gz VBHBPEVWDJYWPX-MRXNPFEDSA-N 2 2 270.380 2.560 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccnc1C ZINC000180131811 380623826 /nfs/dbraw/zinc/62/38/26/380623826.db2.gz VBHBPEVWDJYWPX-MRXNPFEDSA-N 2 2 270.380 2.560 10 0 CFAELP CCO[C@@H]1C[C@H]([N@H+](C)CCCn2cc[nH+]c2)C12CCCC2 ZINC000183191441 381232236 /nfs/dbraw/zinc/23/22/36/381232236.db2.gz WQZFMYUGSAVYJS-JKSUJKDBSA-N 2 2 291.439 2.943 10 0 CFAELP CCO[C@@H]1C[C@H]([N@@H+](C)CCCn2cc[nH+]c2)C12CCCC2 ZINC000183191441 381232240 /nfs/dbraw/zinc/23/22/40/381232240.db2.gz WQZFMYUGSAVYJS-JKSUJKDBSA-N 2 2 291.439 2.943 10 0 CFAELP CCC[N@@H+]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000301393727 382167191 /nfs/dbraw/zinc/16/71/91/382167191.db2.gz JPUAIJWWZSDILL-UHFFFAOYSA-N 2 2 276.428 2.831 10 0 CFAELP CCC[N@H+]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000301393727 382167199 /nfs/dbraw/zinc/16/71/99/382167199.db2.gz JPUAIJWWZSDILL-UHFFFAOYSA-N 2 2 276.428 2.831 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000328319864 382547712 /nfs/dbraw/zinc/54/77/12/382547712.db2.gz DLXRZLKSCQKPBH-YPMHNXCESA-N 2 2 250.411 2.809 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000328319864 382547716 /nfs/dbraw/zinc/54/77/16/382547716.db2.gz DLXRZLKSCQKPBH-YPMHNXCESA-N 2 2 250.411 2.809 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000389109282 382611349 /nfs/dbraw/zinc/61/13/49/382611349.db2.gz ADLSZYJIMUBXHB-IINYFYTJSA-N 2 2 254.324 2.710 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000389109282 382611352 /nfs/dbraw/zinc/61/13/52/382611352.db2.gz ADLSZYJIMUBXHB-IINYFYTJSA-N 2 2 254.324 2.710 10 0 CFAELP CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000389273800 382613528 /nfs/dbraw/zinc/61/35/28/382613528.db2.gz RRNNBZFQHFLBEJ-KGLIPLIRSA-N 2 2 262.397 2.830 10 0 CFAELP CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000389273800 382613530 /nfs/dbraw/zinc/61/35/30/382613530.db2.gz RRNNBZFQHFLBEJ-KGLIPLIRSA-N 2 2 262.397 2.830 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)oc3ccccc32)C1 ZINC000389305697 382614154 /nfs/dbraw/zinc/61/41/54/382614154.db2.gz FHKUIYIVTJMWIM-ZDUSSCGKSA-N 2 2 258.365 2.925 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)oc3ccccc32)C1 ZINC000389305697 382614158 /nfs/dbraw/zinc/61/41/58/382614158.db2.gz FHKUIYIVTJMWIM-ZDUSSCGKSA-N 2 2 258.365 2.925 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OCC(C)C)C2(C)C)C1 ZINC000389403184 382614671 /nfs/dbraw/zinc/61/46/71/382614671.db2.gz LDZWEXGCFZZSOZ-ZNMIVQPWSA-N 2 2 268.445 2.510 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OCC(C)C)C2(C)C)C1 ZINC000389403184 382614676 /nfs/dbraw/zinc/61/46/76/382614676.db2.gz LDZWEXGCFZZSOZ-ZNMIVQPWSA-N 2 2 268.445 2.510 10 0 CFAELP c1ccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCC=CO3)C2)[nH+]c1 ZINC000193854868 382727134 /nfs/dbraw/zinc/72/71/34/382727134.db2.gz OTFJFODSKQDXRT-GJZGRUSLSA-N 2 2 273.380 2.508 10 0 CFAELP c1ccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCC=CO3)C2)[nH+]c1 ZINC000193854868 382727135 /nfs/dbraw/zinc/72/71/35/382727135.db2.gz OTFJFODSKQDXRT-GJZGRUSLSA-N 2 2 273.380 2.508 10 0 CFAELP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](CC)C2)cc1 ZINC000336886110 382737135 /nfs/dbraw/zinc/73/71/35/382737135.db2.gz BNVCIUHEANUVEO-ZFWWWQNUSA-N 2 2 262.397 2.830 10 0 CFAELP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](CC)C2)cc1 ZINC000336886110 382737136 /nfs/dbraw/zinc/73/71/36/382737136.db2.gz BNVCIUHEANUVEO-ZFWWWQNUSA-N 2 2 262.397 2.830 10 0 CFAELP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235332322 382879051 /nfs/dbraw/zinc/87/90/51/382879051.db2.gz VRZGWWXARJKFOD-NRUUGDAUSA-N 2 2 270.323 2.628 10 0 CFAELP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235332322 382879055 /nfs/dbraw/zinc/87/90/55/382879055.db2.gz VRZGWWXARJKFOD-NRUUGDAUSA-N 2 2 270.323 2.628 10 0 CFAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH+]c2c(C)cccn12 ZINC000248402425 383236281 /nfs/dbraw/zinc/23/62/81/383236281.db2.gz VBIJLWXNIRUZCM-CVEARBPZSA-N 2 2 298.434 2.701 10 0 CFAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH+]c2c(C)cccn12 ZINC000248402425 383236285 /nfs/dbraw/zinc/23/62/85/383236285.db2.gz VBIJLWXNIRUZCM-CVEARBPZSA-N 2 2 298.434 2.701 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@@H]12 ZINC000261560662 383511320 /nfs/dbraw/zinc/51/13/20/383511320.db2.gz FIMLKNBWEAJTDL-MRCXROJRSA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@@H]12 ZINC000261560662 383511322 /nfs/dbraw/zinc/51/13/22/383511322.db2.gz FIMLKNBWEAJTDL-MRCXROJRSA-N 2 2 268.763 2.648 10 0 CFAELP CC(C)(C)c1csc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000261583910 383519023 /nfs/dbraw/zinc/51/90/23/383519023.db2.gz HLSGCCJGRLGHJF-TUAOUCFPSA-N 2 2 279.453 2.610 10 0 CFAELP CC(C)(C)c1csc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000261583910 383519028 /nfs/dbraw/zinc/51/90/28/383519028.db2.gz HLSGCCJGRLGHJF-TUAOUCFPSA-N 2 2 279.453 2.610 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(N)c2)C1 ZINC000261613996 383529417 /nfs/dbraw/zinc/52/94/17/383529417.db2.gz APEJJEBYORUOLS-INIZCTEOSA-N 2 2 284.407 2.865 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261613996 383529419 /nfs/dbraw/zinc/52/94/19/383529419.db2.gz APEJJEBYORUOLS-INIZCTEOSA-N 2 2 284.407 2.865 10 0 CFAELP Nc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000261697034 383543559 /nfs/dbraw/zinc/54/35/59/383543559.db2.gz NQLFTLPFEUNPPW-HNNXBMFYSA-N 2 2 282.391 2.598 10 0 CFAELP Nc1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000261697034 383543563 /nfs/dbraw/zinc/54/35/63/383543563.db2.gz NQLFTLPFEUNPPW-HNNXBMFYSA-N 2 2 282.391 2.598 10 0 CFAELP C[C@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)C[C@H]1[NH3+] ZINC000261938441 383582492 /nfs/dbraw/zinc/58/24/92/383582492.db2.gz DLEOKVXPSWZOFD-SUMWQHHRSA-N 2 2 274.408 2.787 10 0 CFAELP C[C@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)C[C@H]1[NH3+] ZINC000261938441 383582497 /nfs/dbraw/zinc/58/24/97/383582497.db2.gz DLEOKVXPSWZOFD-SUMWQHHRSA-N 2 2 274.408 2.787 10 0 CFAELP CC[C@H](c1ccccc1)[N@H+](CC)Cc1noc(C[NH3+])n1 ZINC000262281283 383614692 /nfs/dbraw/zinc/61/46/92/383614692.db2.gz USCOBTZLQDFWPH-CYBMUJFWSA-N 2 2 274.368 2.502 10 0 CFAELP CC[C@H](c1ccccc1)[N@@H+](CC)Cc1noc(C[NH3+])n1 ZINC000262281283 383614695 /nfs/dbraw/zinc/61/46/95/383614695.db2.gz USCOBTZLQDFWPH-CYBMUJFWSA-N 2 2 274.368 2.502 10 0 CFAELP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000532511494 384038014 /nfs/dbraw/zinc/03/80/14/384038014.db2.gz TUAODYNKQOOPCZ-JKJDWNRSSA-N 2 2 252.446 2.987 10 0 CFAELP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000532511494 384038027 /nfs/dbraw/zinc/03/80/27/384038027.db2.gz TUAODYNKQOOPCZ-JKJDWNRSSA-N 2 2 252.446 2.987 10 0 CFAELP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000111341439 256700789 /nfs/dbraw/zinc/70/07/89/256700789.db2.gz BCXAOEQLKWKVHU-AEFFLSMTSA-N 2 2 270.420 2.790 10 0 CFAELP CSCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195257205 393736879 /nfs/dbraw/zinc/73/68/79/393736879.db2.gz DZZWSURVFSLPQV-ZDUSSCGKSA-N 2 2 299.509 2.568 10 0 CFAELP CSCC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195257205 393736882 /nfs/dbraw/zinc/73/68/82/393736882.db2.gz DZZWSURVFSLPQV-ZDUSSCGKSA-N 2 2 299.509 2.568 10 0 CFAELP CSCC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195257205 393736884 /nfs/dbraw/zinc/73/68/84/393736884.db2.gz DZZWSURVFSLPQV-ZDUSSCGKSA-N 2 2 299.509 2.568 10 0 CFAELP CSCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195257205 393736885 /nfs/dbraw/zinc/73/68/85/393736885.db2.gz DZZWSURVFSLPQV-ZDUSSCGKSA-N 2 2 299.509 2.568 10 0 CFAELP Cc1cc(N2CCc3[nH+]c[nH]c3C2)c2ccccc2[nH+]1 ZINC000095372524 393811965 /nfs/dbraw/zinc/81/19/65/393811965.db2.gz CQCYHLPQSUGLOC-UHFFFAOYSA-N 2 2 264.332 2.829 10 0 CFAELP C(C[NH+]1CCCCC1)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000125009919 394000465 /nfs/dbraw/zinc/00/04/65/394000465.db2.gz FCZYCQKWBRRHIC-JKSUJKDBSA-N 2 2 266.429 2.506 10 0 CFAELP C(C[NH+]1CCCCC1)C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000125009919 394000470 /nfs/dbraw/zinc/00/04/70/394000470.db2.gz FCZYCQKWBRRHIC-JKSUJKDBSA-N 2 2 266.429 2.506 10 0 CFAELP C[C@@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000037220940 543027583 /nfs/dbraw/zinc/02/75/83/543027583.db2.gz HYNUQTQSUJIMRY-CRAIPNDOSA-N 3 2 289.467 2.609 10 0 CFAELP COc1ccccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188415287 543061749 /nfs/dbraw/zinc/06/17/49/543061749.db2.gz UGJKSOCDELHKKC-HNNXBMFYSA-N 2 2 271.364 2.556 10 0 CFAELP COc1ccccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188415287 543061750 /nfs/dbraw/zinc/06/17/50/543061750.db2.gz UGJKSOCDELHKKC-HNNXBMFYSA-N 2 2 271.364 2.556 10 0 CFAELP C[N@@H+]1CCC[C@H]1C[NH2+]C(C)(C)COCc1ccccc1 ZINC000390233835 397542413 /nfs/dbraw/zinc/54/24/13/397542413.db2.gz JKNUYQXPAWGSAC-INIZCTEOSA-N 2 2 276.424 2.666 10 0 CFAELP C[N@H+]1CCC[C@H]1C[NH2+]C(C)(C)COCc1ccccc1 ZINC000390233835 397542417 /nfs/dbraw/zinc/54/24/17/397542417.db2.gz JKNUYQXPAWGSAC-INIZCTEOSA-N 2 2 276.424 2.666 10 0 CFAELP c1[nH+]c2n(c1C[NH2+]C1C3CC4CC(C3)CC1C4)CCC2 ZINC000657292295 413404693 /nfs/dbraw/zinc/40/46/93/413404693.db2.gz LSQVJONOLFUJFD-UHFFFAOYSA-N 2 2 271.408 2.744 10 0 CFAELP CCCCn1c2ccccc2[nH+]c1NCC[NH+](C)C ZINC000006856765 170250220 /nfs/dbraw/zinc/25/02/20/170250220.db2.gz DNBFIYCNMUVZCO-UHFFFAOYSA-N 2 2 260.385 2.810 10 0 CFAELP C[N@H+](CCc1ccccc1)[C@H](C[NH3+])c1cccs1 ZINC000020225349 171087176 /nfs/dbraw/zinc/08/71/76/171087176.db2.gz ZFSMAKMGCBTKBY-CQSZACIVSA-N 2 2 260.406 2.922 10 0 CFAELP C[N@@H+](CCc1ccccc1)[C@H](C[NH3+])c1cccs1 ZINC000020225349 171087177 /nfs/dbraw/zinc/08/71/77/171087177.db2.gz ZFSMAKMGCBTKBY-CQSZACIVSA-N 2 2 260.406 2.922 10 0 CFAELP [NH3+][C@@H](C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000020260101 171116112 /nfs/dbraw/zinc/11/61/12/171116112.db2.gz WPFSGASQSLRNND-LBPRGKRZSA-N 2 2 258.287 2.801 10 0 CFAELP CCCCCC[C@@](C)(C[NH3+])[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020362573 171161610 /nfs/dbraw/zinc/16/16/10/171161610.db2.gz WYOFIUFFSPGFRM-KKUMJFAQSA-N 2 2 256.434 2.783 10 0 CFAELP C[NH+](C)[C@@H](C[NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000022175530 171370456 /nfs/dbraw/zinc/37/04/56/171370456.db2.gz PRVXCUHNMYUBRQ-JTQLQIEISA-N 2 2 264.316 2.860 10 0 CFAELP COc1ccc([C@H](C[NH3+])[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000022222190 171378576 /nfs/dbraw/zinc/37/85/76/171378576.db2.gz FLZDUEPXVIBJSK-NFAWXSAZSA-N 2 2 292.423 2.682 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000022222188 171378706 /nfs/dbraw/zinc/37/87/06/171378706.db2.gz FLZDUEPXVIBJSK-UMVBOHGHSA-N 2 2 292.423 2.682 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCCSCC1 ZINC000657871257 414017041 /nfs/dbraw/zinc/01/70/41/414017041.db2.gz UAXSFZQZPAWNRK-ZIAGYGMSSA-N 2 2 258.475 2.838 10 0 CFAELP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000037490207 173231701 /nfs/dbraw/zinc/23/17/01/173231701.db2.gz UABVWMPVGUXICR-ULQDDVLXSA-N 2 2 276.424 2.573 10 0 CFAELP COC(C)(C)C[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028680 174017161 /nfs/dbraw/zinc/01/71/61/174017161.db2.gz HHIOLJDCHLBTNH-UONOGXRCSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H](C)[NH+]2CCCCC2)CC1 ZINC000038028861 174018212 /nfs/dbraw/zinc/01/82/12/174018212.db2.gz FEKDDEAPCQPNIG-IRXDYDNUSA-N 3 2 295.515 2.961 10 0 CFAELP COc1ccc([C@H]([NH2+]C[C@@H](C)[NH+](C)C)C2CC2)cc1 ZINC000038087692 174099467 /nfs/dbraw/zinc/09/94/67/174099467.db2.gz YLNAJPYXEMSYNG-MLGOLLRUSA-N 2 2 262.397 2.686 10 0 CFAELP CC[NH+]1CCC([NH2+][C@@H](C)c2scnc2C)CC1 ZINC000038098219 174113554 /nfs/dbraw/zinc/11/35/54/174113554.db2.gz CDDLZJMRDJZTSU-NSHDSACASA-N 2 2 253.415 2.586 10 0 CFAELP CCOc1ccc([C@@H](C[NH3+])[NH+]2CCCCCC2)cc1 ZINC000038827579 174156484 /nfs/dbraw/zinc/15/64/84/174156484.db2.gz LFDFLWIJSDIACU-MRXNPFEDSA-N 2 2 262.397 2.961 10 0 CFAELP [NH3+]C[C@@H](n1cc[nH+]c1-c1ccccc1)C(F)(F)F ZINC000040228229 174208633 /nfs/dbraw/zinc/20/86/33/174208633.db2.gz WFYFLUKKQMCEES-SNVBAGLBSA-N 2 2 255.243 2.612 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CCc2ccco2)C1 ZINC000040502643 174298745 /nfs/dbraw/zinc/29/87/45/174298745.db2.gz VMHAGAJDKDVYKD-KBPBESRZSA-N 2 2 250.386 2.675 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CCc2ccco2)C1 ZINC000040502643 174298746 /nfs/dbraw/zinc/29/87/46/174298746.db2.gz VMHAGAJDKDVYKD-KBPBESRZSA-N 2 2 250.386 2.675 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccccc2OC)C1 ZINC000040502860 174299100 /nfs/dbraw/zinc/29/91/00/174299100.db2.gz IKFLXOLYDPUVEM-GOEBONIOSA-N 2 2 276.424 2.700 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccccc2OC)C1 ZINC000040502860 174299101 /nfs/dbraw/zinc/29/91/01/174299101.db2.gz IKFLXOLYDPUVEM-GOEBONIOSA-N 2 2 276.424 2.700 10 0 CFAELP C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1ccccc1Cl ZINC000040638672 174363240 /nfs/dbraw/zinc/36/32/40/174363240.db2.gz MHBOABAMLNMRPJ-LLVKDONJSA-N 2 2 263.772 2.967 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+][C@@H]1CSCc2ccccc21 ZINC000040639341 174363900 /nfs/dbraw/zinc/36/39/00/174363900.db2.gz ORSAMOVGYMGCBU-CQSZACIVSA-N 2 2 273.405 2.540 10 0 CFAELP C[N@@H+]1CCC[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000040672781 174371182 /nfs/dbraw/zinc/37/11/82/174371182.db2.gz FZQAWLPTODKETK-SIWZUTFBSA-N 2 2 262.372 2.756 10 0 CFAELP C[N@H+]1CCC[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000040672781 174371184 /nfs/dbraw/zinc/37/11/84/174371184.db2.gz FZQAWLPTODKETK-SIWZUTFBSA-N 2 2 262.372 2.756 10 0 CFAELP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000040673094 174371585 /nfs/dbraw/zinc/37/15/85/174371585.db2.gz ILGBOGXNEKGILO-LSDHHAIUSA-N 2 2 261.413 2.752 10 0 CFAELP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000040673094 174371586 /nfs/dbraw/zinc/37/15/86/174371586.db2.gz ILGBOGXNEKGILO-LSDHHAIUSA-N 2 2 261.413 2.752 10 0 CFAELP [NH3+]Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000040693607 174377228 /nfs/dbraw/zinc/37/72/28/174377228.db2.gz UBVPIZPRWCZVEV-UHFFFAOYSA-N 3 2 287.451 2.596 10 0 CFAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)C1 ZINC000040717480 174384795 /nfs/dbraw/zinc/38/47/95/174384795.db2.gz CFRPTEQXONGXJY-MFKMUULPSA-N 2 2 270.323 2.630 10 0 CFAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)C1 ZINC000040717480 174384797 /nfs/dbraw/zinc/38/47/97/174384797.db2.gz CFRPTEQXONGXJY-MFKMUULPSA-N 2 2 270.323 2.630 10 0 CFAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccc(OC(F)(F)F)cc2)C1 ZINC000040717597 174384969 /nfs/dbraw/zinc/38/49/69/174384969.db2.gz CCFICXWUNMBJIP-MFKMUULPSA-N 2 2 288.313 2.927 10 0 CFAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2ccc(OC(F)(F)F)cc2)C1 ZINC000040717597 174384971 /nfs/dbraw/zinc/38/49/71/174384971.db2.gz CCFICXWUNMBJIP-MFKMUULPSA-N 2 2 288.313 2.927 10 0 CFAELP Cc1cc(N(CCC[NH3+])C2CCCCCC2)nc[nH+]1 ZINC000040726864 174387570 /nfs/dbraw/zinc/38/75/70/174387570.db2.gz WCRSQOGRKUWRKP-UHFFFAOYSA-N 2 2 262.401 2.663 10 0 CFAELP CC[N@H+](Cc1nc2ccccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748383 174393047 /nfs/dbraw/zinc/39/30/47/174393047.db2.gz WOBNLLYAIJDRTO-PBWFPOADSA-N 2 2 284.407 2.668 10 0 CFAELP CC[N@@H+](Cc1nc2ccccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748383 174393049 /nfs/dbraw/zinc/39/30/49/174393049.db2.gz WOBNLLYAIJDRTO-PBWFPOADSA-N 2 2 284.407 2.668 10 0 CFAELP Cc1ccc([C@@H](C[NH3+])[NH+]2CCC(C[NH+](C)C)CC2)cc1C ZINC000042391954 174706657 /nfs/dbraw/zinc/70/66/57/174706657.db2.gz YNACTUOTKHZEDP-GOSISDBHSA-N 3 2 289.467 2.577 10 0 CFAELP CC[N@H+]([C@H](C)COC)[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043315054 175004658 /nfs/dbraw/zinc/00/46/58/175004658.db2.gz VLPSZFQXXQNKGH-CJNGLKHVSA-N 2 2 264.413 2.660 10 0 CFAELP CC[N@@H+]([C@H](C)COC)[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043315054 175004659 /nfs/dbraw/zinc/00/46/59/175004659.db2.gz VLPSZFQXXQNKGH-CJNGLKHVSA-N 2 2 264.413 2.660 10 0 CFAELP CC(C)Oc1cccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000043326313 175007811 /nfs/dbraw/zinc/00/78/11/175007811.db2.gz IAMBVBGZRBKBHB-HIFRSBDPSA-N 2 2 262.397 2.876 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043335745 175011549 /nfs/dbraw/zinc/01/15/49/175011549.db2.gz GIMFIHJKFVMPOK-YDHLFZDLSA-N 2 2 266.385 2.559 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043335745 175011551 /nfs/dbraw/zinc/01/15/51/175011551.db2.gz GIMFIHJKFVMPOK-YDHLFZDLSA-N 2 2 266.385 2.559 10 0 CFAELP [NH3+]C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000043339390 175013724 /nfs/dbraw/zinc/01/37/24/175013724.db2.gz UMYOTRHKSAVPMU-SJORKVTESA-N 2 2 267.376 2.919 10 0 CFAELP [NH3+]C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000043339390 175013726 /nfs/dbraw/zinc/01/37/26/175013726.db2.gz UMYOTRHKSAVPMU-SJORKVTESA-N 2 2 267.376 2.919 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+](C)C1CCC(C)CC1 ZINC000043347576 175017847 /nfs/dbraw/zinc/01/78/47/175017847.db2.gz HYIDJCIUYMKROD-FYAIKVRKSA-N 2 2 261.413 2.980 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](C)C1CCC(C)CC1 ZINC000043347576 175017848 /nfs/dbraw/zinc/01/78/48/175017848.db2.gz HYIDJCIUYMKROD-FYAIKVRKSA-N 2 2 261.413 2.980 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000043348470 175018886 /nfs/dbraw/zinc/01/88/86/175018886.db2.gz SEIQEFUBPXZOEX-SJXGUFTOSA-N 2 2 261.413 2.980 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000043348470 175018887 /nfs/dbraw/zinc/01/88/87/175018887.db2.gz SEIQEFUBPXZOEX-SJXGUFTOSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+](CC1CC1)C(C)C ZINC000043348424 175018960 /nfs/dbraw/zinc/01/89/60/175018960.db2.gz SCWXWRSLDQYRHV-HZPDHXFCSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](CC1CC1)C(C)C ZINC000043348424 175018962 /nfs/dbraw/zinc/01/89/62/175018962.db2.gz SCWXWRSLDQYRHV-HZPDHXFCSA-N 2 2 261.413 2.980 10 0 CFAELP C[C@H]([NH3+])[C@@H](c1cccnc1)n1cc[nH+]c1-c1ccccc1 ZINC000043348936 175019409 /nfs/dbraw/zinc/01/94/09/175019409.db2.gz DZYHMCZNORCKKO-BBRMVZONSA-N 2 2 278.359 2.882 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043354735 175022460 /nfs/dbraw/zinc/02/24/60/175022460.db2.gz MGMAGPSDFCVZCK-RRQGHBQHSA-N 2 2 291.439 2.607 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043354735 175022461 /nfs/dbraw/zinc/02/24/61/175022461.db2.gz MGMAGPSDFCVZCK-RRQGHBQHSA-N 2 2 291.439 2.607 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@H+](CC(C)C)C1CC1 ZINC000043354659 175022771 /nfs/dbraw/zinc/02/27/71/175022771.db2.gz FZFIPUVATVGYLV-HOTGVXAUSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+](CC(C)C)C1CC1 ZINC000043354659 175022773 /nfs/dbraw/zinc/02/27/73/175022773.db2.gz FZFIPUVATVGYLV-HOTGVXAUSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043363839 175024545 /nfs/dbraw/zinc/02/45/45/175024545.db2.gz PJQYBULPDAETHE-FMKPAKJESA-N 2 2 280.412 2.603 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+]1CCCC[C@@H]1CCO ZINC000043363839 175024547 /nfs/dbraw/zinc/02/45/47/175024547.db2.gz PJQYBULPDAETHE-FMKPAKJESA-N 2 2 280.412 2.603 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](CCO)C1CCCCC1 ZINC000043365197 175026592 /nfs/dbraw/zinc/02/65/92/175026592.db2.gz WNZGOIUKAVKUSL-NVXWUHKLSA-N 2 2 294.439 2.993 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](CCO)C1CCCCC1 ZINC000043365197 175026594 /nfs/dbraw/zinc/02/65/94/175026594.db2.gz WNZGOIUKAVKUSL-NVXWUHKLSA-N 2 2 294.439 2.993 10 0 CFAELP Cc1ccc([C@H](C[NH3+])n2c(C)[nH+]c3ccccc32)o1 ZINC000043365475 175027096 /nfs/dbraw/zinc/02/70/96/175027096.db2.gz RTURQYWPINEXOC-AWEZNQCLSA-N 2 2 255.321 2.794 10 0 CFAELP Cc1cc(C)cc([C@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000043394067 175034842 /nfs/dbraw/zinc/03/48/42/175034842.db2.gz SEOLWJUJLLLPEU-CABCVRRESA-N 2 2 264.438 2.741 10 0 CFAELP Cc1cc(C)cc([C@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)c1 ZINC000043394067 175034843 /nfs/dbraw/zinc/03/48/43/175034843.db2.gz SEOLWJUJLLLPEU-CABCVRRESA-N 2 2 264.438 2.741 10 0 CFAELP Cc1cc(N(CCC(N)=[NH2+])CC(C)C)nc(C(C)C)[nH+]1 ZINC000043423065 175039565 /nfs/dbraw/zinc/03/95/65/175039565.db2.gz XCOQZEYDTHAIJA-UHFFFAOYSA-N 2 2 277.416 2.697 10 0 CFAELP CCC1CCC(C[NH3+])([N@@H+]2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000043424623 175040229 /nfs/dbraw/zinc/04/02/29/175040229.db2.gz UVHDTMUJILTVOW-PYBGIAKNSA-N 2 2 266.429 2.537 10 0 CFAELP CCC1CCC(C[NH3+])([N@H+]2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000043424623 175040230 /nfs/dbraw/zinc/04/02/30/175040230.db2.gz UVHDTMUJILTVOW-PYBGIAKNSA-N 2 2 266.429 2.537 10 0 CFAELP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1F ZINC000043458832 175050509 /nfs/dbraw/zinc/05/05/09/175050509.db2.gz KSXTVOURPRHBES-QWRGUYRKSA-N 2 2 254.324 2.524 10 0 CFAELP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1F ZINC000043458832 175050511 /nfs/dbraw/zinc/05/05/11/175050511.db2.gz KSXTVOURPRHBES-QWRGUYRKSA-N 2 2 254.324 2.524 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1OC ZINC000043565207 175066843 /nfs/dbraw/zinc/06/68/43/175066843.db2.gz UUJRNICTJLWHDH-LLVKDONJSA-N 2 2 265.744 2.575 10 0 CFAELP CCC[NH2+][C@@H](C[N@H+](C)CCc1ccccn1)C(C)(C)C ZINC000043818897 175113908 /nfs/dbraw/zinc/11/39/08/175113908.db2.gz YTOCWAQRUOPLDP-INIZCTEOSA-N 2 2 277.456 2.970 10 0 CFAELP CCC[NH2+][C@@H](C[N@@H+](C)CCc1ccccn1)C(C)(C)C ZINC000043818897 175113909 /nfs/dbraw/zinc/11/39/09/175113909.db2.gz YTOCWAQRUOPLDP-INIZCTEOSA-N 2 2 277.456 2.970 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@H]1[N@@H+]1CCO[C@@H](CC)C1 ZINC000043893048 175118480 /nfs/dbraw/zinc/11/84/80/175118480.db2.gz DIUKIMTUUURGHB-HRCADAONSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@H]1[N@H+]1CCO[C@@H](CC)C1 ZINC000043893048 175118482 /nfs/dbraw/zinc/11/84/82/175118482.db2.gz DIUKIMTUUURGHB-HRCADAONSA-N 2 2 268.445 2.798 10 0 CFAELP C[NH2+][C@H]1c2ccccc2CC[C@@H]1[N@H+](C)Cc1ccncc1 ZINC000043893971 175119362 /nfs/dbraw/zinc/11/93/62/175119362.db2.gz CUNCCSHIGNJNPS-ROUUACIJSA-N 2 2 281.403 2.789 10 0 CFAELP C[NH2+][C@H]1c2ccccc2CC[C@@H]1[N@@H+](C)Cc1ccncc1 ZINC000043893971 175119363 /nfs/dbraw/zinc/11/93/63/175119363.db2.gz CUNCCSHIGNJNPS-ROUUACIJSA-N 2 2 281.403 2.789 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@H]1[N@H+](C)C1CCOCC1 ZINC000043898383 175121174 /nfs/dbraw/zinc/12/11/74/175121174.db2.gz ANABROREAMTAEI-HZPDHXFCSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+](C)C1CCOCC1 ZINC000043898383 175121176 /nfs/dbraw/zinc/12/11/76/175121176.db2.gz ANABROREAMTAEI-HZPDHXFCSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@H](CC)[N@H+](C)C1CCOCC1 ZINC000043898455 175121491 /nfs/dbraw/zinc/12/14/91/175121491.db2.gz PRYLDNRIBPVWEE-GJZGRUSLSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@H](CC)[N@@H+](C)C1CCOCC1 ZINC000043898455 175121492 /nfs/dbraw/zinc/12/14/92/175121492.db2.gz PRYLDNRIBPVWEE-GJZGRUSLSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+]1CCOC[C@@H]1CC ZINC000043899340 175121827 /nfs/dbraw/zinc/12/18/27/175121827.db2.gz CWWYHXUEPQJPDK-UGUYLWEFSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+]1CCOC[C@@H]1CC ZINC000043899340 175121828 /nfs/dbraw/zinc/12/18/28/175121828.db2.gz CWWYHXUEPQJPDK-UGUYLWEFSA-N 2 2 268.445 2.654 10 0 CFAELP CC[C@@H]([NH2+]C)[C@@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000043911817 175123618 /nfs/dbraw/zinc/12/36/18/175123618.db2.gz WUBGHJFBBUHHRD-IUODEOHRSA-N 2 2 250.386 2.514 10 0 CFAELP CC[C@@H]([NH2+]C)[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911817 175123619 /nfs/dbraw/zinc/12/36/19/175123619.db2.gz WUBGHJFBBUHHRD-IUODEOHRSA-N 2 2 250.386 2.514 10 0 CFAELP CC[NH2+][C@H](C)[C@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000043911983 175123754 /nfs/dbraw/zinc/12/37/54/175123754.db2.gz QWSIZXZKUWDYKD-OLZOCXBDSA-N 2 2 250.386 2.514 10 0 CFAELP CC[NH2+][C@H](C)[C@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911983 175123755 /nfs/dbraw/zinc/12/37/55/175123755.db2.gz QWSIZXZKUWDYKD-OLZOCXBDSA-N 2 2 250.386 2.514 10 0 CFAELP CC[NH2+][C@H]1CCC[C@@H]1[N@H+](C)Cc1ccc(F)cc1 ZINC000043911202 175123829 /nfs/dbraw/zinc/12/38/29/175123829.db2.gz GVLMDTQTBVUCMH-GJZGRUSLSA-N 2 2 250.361 2.788 10 0 CFAELP CC[NH2+][C@H]1CCC[C@@H]1[N@@H+](C)Cc1ccc(F)cc1 ZINC000043911202 175123830 /nfs/dbraw/zinc/12/38/30/175123830.db2.gz GVLMDTQTBVUCMH-GJZGRUSLSA-N 2 2 250.361 2.788 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1[N@H+](C)CCOC ZINC000043916273 175124796 /nfs/dbraw/zinc/12/47/96/175124796.db2.gz UQDPOPUZBQNFPM-ZNMIVQPWSA-N 2 2 256.434 2.512 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1[N@@H+](C)CCOC ZINC000043916273 175124798 /nfs/dbraw/zinc/12/47/98/175124798.db2.gz UQDPOPUZBQNFPM-ZNMIVQPWSA-N 2 2 256.434 2.512 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+]1CCOCC1(C)C ZINC000043965339 175126402 /nfs/dbraw/zinc/12/64/02/175126402.db2.gz IHEXCEKABZFMNY-HUUCEWRRSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@H]1[N@H+]1CCOCC1(C)C ZINC000043965339 175126404 /nfs/dbraw/zinc/12/64/04/175126404.db2.gz IHEXCEKABZFMNY-HUUCEWRRSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@H]1[N@H+](C)C1CCC(C)CC1 ZINC000043967052 175127886 /nfs/dbraw/zinc/12/78/86/175127886.db2.gz ZVIQRCGBMHZCST-SSHXOBKSSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@H]1[N@@H+](C)C1CCC(C)CC1 ZINC000043967052 175127887 /nfs/dbraw/zinc/12/78/87/175127887.db2.gz ZVIQRCGBMHZCST-SSHXOBKSSA-N 2 2 268.445 2.654 10 0 CFAELP CC[NH2+][C@@H](C[N@H+](CC)C[C@@H]1CCCO1)C(C)(C)C ZINC000043966843 175127891 /nfs/dbraw/zinc/12/78/91/175127891.db2.gz UEUCCNMPDJUBTO-KBPBESRZSA-N 2 2 256.434 2.512 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+](CC)C[C@@H]1CCCO1)C(C)(C)C ZINC000043966843 175127892 /nfs/dbraw/zinc/12/78/92/175127892.db2.gz UEUCCNMPDJUBTO-KBPBESRZSA-N 2 2 256.434 2.512 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966386 175128160 /nfs/dbraw/zinc/12/81/60/175128160.db2.gz WSZUBNPCTAOIAE-HRCADAONSA-N 2 2 268.445 2.798 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966386 175128161 /nfs/dbraw/zinc/12/81/61/175128161.db2.gz WSZUBNPCTAOIAE-HRCADAONSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@H]1[N@H+](C)CC1CCCCC1 ZINC000043968305 175129585 /nfs/dbraw/zinc/12/95/85/175129585.db2.gz WVPRYCFAJJQGJN-HZPDHXFCSA-N 2 2 268.445 2.656 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@H]1[N@@H+](C)CC1CCCCC1 ZINC000043968305 175129586 /nfs/dbraw/zinc/12/95/86/175129586.db2.gz WVPRYCFAJJQGJN-HZPDHXFCSA-N 2 2 268.445 2.656 10 0 CFAELP CC[NH2+][C@@H]1CCCC[C@H]1[N@H+](CC)Cc1ccncc1 ZINC000043968915 175129884 /nfs/dbraw/zinc/12/98/84/175129884.db2.gz CQZGBNOSXVDCMM-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](CC)Cc1ccncc1 ZINC000043968915 175129885 /nfs/dbraw/zinc/12/98/85/175129885.db2.gz CQZGBNOSXVDCMM-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000043969468 175130845 /nfs/dbraw/zinc/13/08/45/175130845.db2.gz YAYTUAJVXNOLIU-RRQGHBQHSA-N 2 2 276.424 2.619 10 0 CFAELP CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969468 175130846 /nfs/dbraw/zinc/13/08/46/175130846.db2.gz YAYTUAJVXNOLIU-RRQGHBQHSA-N 2 2 276.424 2.619 10 0 CFAELP CC[C@@H]([C@H]([NH2+]C)c1ccccc1)[N@H+](CCOC)C1CC1 ZINC000043969801 175131087 /nfs/dbraw/zinc/13/10/87/175131087.db2.gz VBUPEQVMBKXRCL-DLBZAZTESA-N 2 2 276.424 2.837 10 0 CFAELP CC[C@@H]([C@H]([NH2+]C)c1ccccc1)[N@@H+](CCOC)C1CC1 ZINC000043969801 175131088 /nfs/dbraw/zinc/13/10/88/175131088.db2.gz VBUPEQVMBKXRCL-DLBZAZTESA-N 2 2 276.424 2.837 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@H+](C)[C@@H](C)C(C)(C)C ZINC000043979502 175133439 /nfs/dbraw/zinc/13/34/39/175133439.db2.gz YARCZDBMENVIHJ-MJBXVCDLSA-N 2 2 256.434 2.510 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000043979502 175133440 /nfs/dbraw/zinc/13/34/40/175133440.db2.gz YARCZDBMENVIHJ-MJBXVCDLSA-N 2 2 256.434 2.510 10 0 CFAELP C[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(OC(C)C)cc1 ZINC000043993266 175136604 /nfs/dbraw/zinc/13/66/04/175136604.db2.gz RGOVJAOZGBLSQN-OAHLLOKOSA-N 2 2 259.353 2.631 10 0 CFAELP C[NH2+][C@H](Cn1cc[nH+]c1C(C)C)c1ccccc1OC ZINC000043997898 175137294 /nfs/dbraw/zinc/13/72/94/175137294.db2.gz WNRLTIFHDPFZRQ-CQSZACIVSA-N 2 2 273.380 2.976 10 0 CFAELP [NH3+]C[C@@H]([NH3+])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000044469297 175177506 /nfs/dbraw/zinc/17/75/06/175177506.db2.gz LYERWHWMFFHUDK-MRVPVSSYSA-N 2 2 272.192 2.683 10 0 CFAELP CSCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)o1 ZINC000044533013 175195993 /nfs/dbraw/zinc/19/59/93/175195993.db2.gz SANCOMSCCURLRJ-GFCCVEGCSA-N 2 2 268.426 2.574 10 0 CFAELP CSCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)o1 ZINC000044533013 175195995 /nfs/dbraw/zinc/19/59/95/175195995.db2.gz SANCOMSCCURLRJ-GFCCVEGCSA-N 2 2 268.426 2.574 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@@H+]1[C@@H](c1ccccc1)c1ccccn1 ZINC000044540113 175200656 /nfs/dbraw/zinc/20/06/56/175200656.db2.gz WELNMSLZMMJFFA-AEFFLSMTSA-N 2 2 281.403 2.984 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@H+]1[C@@H](c1ccccc1)c1ccccn1 ZINC000044540113 175200657 /nfs/dbraw/zinc/20/06/57/175200657.db2.gz WELNMSLZMMJFFA-AEFFLSMTSA-N 2 2 281.403 2.984 10 0 CFAELP CC[C@H](c1ccc(OC)cc1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540190 175201019 /nfs/dbraw/zinc/20/10/19/175201019.db2.gz RBQWBDMQDDBYRJ-GDBMZVCRSA-N 2 2 262.397 2.960 10 0 CFAELP CC[C@H](c1ccc(OC)cc1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540190 175201020 /nfs/dbraw/zinc/20/10/20/175201020.db2.gz RBQWBDMQDDBYRJ-GDBMZVCRSA-N 2 2 262.397 2.960 10 0 CFAELP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000044561436 175204747 /nfs/dbraw/zinc/20/47/47/175204747.db2.gz ZOZOTMUIXAIFCE-KGLIPLIRSA-N 2 2 250.386 2.675 10 0 CFAELP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000044561436 175204749 /nfs/dbraw/zinc/20/47/49/175204749.db2.gz ZOZOTMUIXAIFCE-KGLIPLIRSA-N 2 2 250.386 2.675 10 0 CFAELP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C)c1ccc(O)cc1 ZINC000044561761 175204791 /nfs/dbraw/zinc/20/47/91/175204791.db2.gz JPRZKGLUPJAQKV-ZBFHGGJFSA-N 2 2 262.397 2.917 10 0 CFAELP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C)c1ccc(O)cc1 ZINC000044561761 175204793 /nfs/dbraw/zinc/20/47/93/175204793.db2.gz JPRZKGLUPJAQKV-ZBFHGGJFSA-N 2 2 262.397 2.917 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1[nH+]ccc2ccccc21 ZINC000044605967 175215781 /nfs/dbraw/zinc/21/57/81/175215781.db2.gz MWXWPDPDBZGJAN-AGUYFDCRSA-N 2 2 253.349 2.693 10 0 CFAELP Cc1nc(C[N@H+](C)CC[C@@H]([NH3+])c2ccccc2)cs1 ZINC000044609958 175216457 /nfs/dbraw/zinc/21/64/57/175216457.db2.gz ZAQYKBYPDLJVAP-OAHLLOKOSA-N 2 2 275.421 2.973 10 0 CFAELP Cc1nc(C[N@@H+](C)CC[C@@H]([NH3+])c2ccccc2)cs1 ZINC000044609958 175216458 /nfs/dbraw/zinc/21/64/58/175216458.db2.gz ZAQYKBYPDLJVAP-OAHLLOKOSA-N 2 2 275.421 2.973 10 0 CFAELP CCC[NH2+][C@@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376086 175366617 /nfs/dbraw/zinc/36/66/17/175366617.db2.gz JZPNMMOCJBTZNF-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@@](C)(CCCC[N@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376086 175366618 /nfs/dbraw/zinc/36/66/18/175366618.db2.gz JZPNMMOCJBTZNF-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CCOC(=O)[C@](C)(CCC[NH+]1CCCCCC1)[NH2+]C(C)C ZINC000045377556 175366738 /nfs/dbraw/zinc/36/67/38/175366738.db2.gz DICNVWFSKNRZQK-KRWDZBQOSA-N 2 2 298.471 2.962 10 0 CFAELP COC(=O)[C@@](C)(CCCC[NH+]1CCCCCC1)[NH2+]C1CC1 ZINC000045377478 175366740 /nfs/dbraw/zinc/36/67/40/175366740.db2.gz WJSMSVPEQCNDNW-QGZVFWFLSA-N 2 2 296.455 2.716 10 0 CFAELP COC(=O)[C@@](C)(CCCC[NH+]1CCCCC1)[NH2+]C(C)C ZINC000045378274 175367758 /nfs/dbraw/zinc/36/77/58/175367758.db2.gz XGHZLIMJZYRMDA-MRXNPFEDSA-N 2 2 284.444 2.572 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379610 175368213 /nfs/dbraw/zinc/36/82/13/175368213.db2.gz FAJCZFDLBQWQBB-ZOBUZTSGSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@H+](CC)C(C)C)[NH2+]C1CC1 ZINC000045383735 175371198 /nfs/dbraw/zinc/37/11/98/175371198.db2.gz ZKBYPVNEJPLVCT-KRWDZBQOSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@@H+](CC)C(C)C)[NH2+]C1CC1 ZINC000045383735 175371200 /nfs/dbraw/zinc/37/12/00/175371200.db2.gz ZKBYPVNEJPLVCT-KRWDZBQOSA-N 2 2 298.471 2.961 10 0 CFAELP CCCCC[N@H+](C)CCC[C@@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045388215 175373549 /nfs/dbraw/zinc/37/35/49/175373549.db2.gz FUUODIWKBPDVPR-QGZVFWFLSA-N 2 2 298.471 2.962 10 0 CFAELP CCCCC[N@@H+](C)CCC[C@@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045388215 175373551 /nfs/dbraw/zinc/37/35/51/175373551.db2.gz FUUODIWKBPDVPR-QGZVFWFLSA-N 2 2 298.471 2.962 10 0 CFAELP CCCCC[N@H+](C)CCC[C@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045388213 175374159 /nfs/dbraw/zinc/37/41/59/175374159.db2.gz FUUODIWKBPDVPR-KRWDZBQOSA-N 2 2 298.471 2.962 10 0 CFAELP CCCCC[N@@H+](C)CCC[C@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045388213 175374161 /nfs/dbraw/zinc/37/41/61/175374161.db2.gz FUUODIWKBPDVPR-KRWDZBQOSA-N 2 2 298.471 2.962 10 0 CFAELP CCC(CC)[N@H+](C)CCC[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000045391666 175375138 /nfs/dbraw/zinc/37/51/38/175375138.db2.gz PQJOEWSIXSUYMC-INIZCTEOSA-N 2 2 284.444 2.571 10 0 CFAELP CCC(CC)[N@@H+](C)CCC[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000045391666 175375139 /nfs/dbraw/zinc/37/51/39/175375139.db2.gz PQJOEWSIXSUYMC-INIZCTEOSA-N 2 2 284.444 2.571 10 0 CFAELP Brc1cccc(C[NH2+]CCc2c[nH]c[nH+]2)c1 ZINC000045946247 175387925 /nfs/dbraw/zinc/38/79/25/175387925.db2.gz XOGPVWYKTKYVCA-UHFFFAOYSA-N 2 2 280.169 2.505 10 0 CFAELP Brc1cccc(C[NH2+]CCc2c[nH+]c[nH]2)c1 ZINC000045946247 175387927 /nfs/dbraw/zinc/38/79/27/175387927.db2.gz XOGPVWYKTKYVCA-UHFFFAOYSA-N 2 2 280.169 2.505 10 0 CFAELP CCCc1cc(N[C@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000045955182 175388913 /nfs/dbraw/zinc/38/89/13/175388913.db2.gz NAHXPSYDCCGBFP-ZDUSSCGKSA-N 2 2 262.401 2.716 10 0 CFAELP CC(C)COc1ccc([C@H]([NH3+])C[NH+]2CCCC2)cc1 ZINC000071594611 176217514 /nfs/dbraw/zinc/21/75/14/176217514.db2.gz ASEWYPXFOHHTRP-MRXNPFEDSA-N 2 2 262.397 2.817 10 0 CFAELP COc1ccc(Cl)cc1[C@H](C[NH3+])[N@H+](C)CC1CC1 ZINC000076401160 177017133 /nfs/dbraw/zinc/01/71/33/177017133.db2.gz FXENNOACDKNZLN-ZDUSSCGKSA-N 2 2 268.788 2.690 10 0 CFAELP COc1ccc(Cl)cc1[C@H](C[NH3+])[N@@H+](C)CC1CC1 ZINC000076401160 177017134 /nfs/dbraw/zinc/01/71/34/177017134.db2.gz FXENNOACDKNZLN-ZDUSSCGKSA-N 2 2 268.788 2.690 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+](C)CC2CC2)cc1Cl ZINC000076401150 177017179 /nfs/dbraw/zinc/01/71/79/177017179.db2.gz GYLJXMRYYKIQLI-ZDUSSCGKSA-N 2 2 268.788 2.690 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)CC2CC2)cc1Cl ZINC000076401150 177017180 /nfs/dbraw/zinc/01/71/80/177017180.db2.gz GYLJXMRYYKIQLI-ZDUSSCGKSA-N 2 2 268.788 2.690 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CC2)cc1Cl ZINC000076401155 177017445 /nfs/dbraw/zinc/01/74/45/177017445.db2.gz GYLJXMRYYKIQLI-CYBMUJFWSA-N 2 2 268.788 2.690 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CC2)cc1Cl ZINC000076401155 177017446 /nfs/dbraw/zinc/01/74/46/177017446.db2.gz GYLJXMRYYKIQLI-CYBMUJFWSA-N 2 2 268.788 2.690 10 0 CFAELP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000358400154 276383764 /nfs/dbraw/zinc/38/37/64/276383764.db2.gz LHOCOGUASMWYOI-KCQAQPDRSA-N 2 2 262.397 2.686 10 0 CFAELP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000358400154 276383766 /nfs/dbraw/zinc/38/37/66/276383766.db2.gz LHOCOGUASMWYOI-KCQAQPDRSA-N 2 2 262.397 2.686 10 0 CFAELP C[C@@]1(C[N@@H+]2CCCC[C@H]2c2nccs2)CC[NH2+]C1 ZINC000262035911 279158895 /nfs/dbraw/zinc/15/88/95/279158895.db2.gz OPFMKHQMVPGIIA-GXTWGEPZSA-N 2 2 265.426 2.670 10 0 CFAELP C[C@@]1(C[N@H+]2CCCC[C@H]2c2nccs2)CC[NH2+]C1 ZINC000262035911 279158896 /nfs/dbraw/zinc/15/88/96/279158896.db2.gz OPFMKHQMVPGIIA-GXTWGEPZSA-N 2 2 265.426 2.670 10 0 CFAELP C[C@H](C[NH2+][C@H]1COc2cc(O)ccc21)C[NH+]1CCCCC1 ZINC000038041827 279354436 /nfs/dbraw/zinc/35/44/36/279354436.db2.gz KJZSWZOKJODFCQ-CJNGLKHVSA-N 2 2 290.407 2.537 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000049196096 519793773 /nfs/dbraw/zinc/79/37/73/519793773.db2.gz WLOCAAVRBIKZAD-WMLDXEAASA-N 2 2 278.440 2.889 10 0 CFAELP CCC[C@](C)(C[NH2+]C(C)C)C[N@@H+]1CCO[C@H](C)C1 ZINC000051210479 521266957 /nfs/dbraw/zinc/26/69/57/521266957.db2.gz HBXMPJRAUVBDRP-HUUCEWRRSA-N 2 2 256.434 2.512 10 0 CFAELP CCC[C@](C)(C[NH2+]C(C)C)C[N@H+]1CCO[C@H](C)C1 ZINC000051210479 521266962 /nfs/dbraw/zinc/26/69/62/521266962.db2.gz HBXMPJRAUVBDRP-HUUCEWRRSA-N 2 2 256.434 2.512 10 0 CFAELP C[NH2+]C[C@@H](C(C)C)[N@H+](Cc1cccs1)C1CC1 ZINC000052370597 522024866 /nfs/dbraw/zinc/02/48/66/522024866.db2.gz JKKIRVPBCOFAAW-AWEZNQCLSA-N 2 2 252.427 2.957 10 0 CFAELP C[NH2+]C[C@@H](C(C)C)[N@@H+](Cc1cccs1)C1CC1 ZINC000052370597 522024877 /nfs/dbraw/zinc/02/48/77/522024877.db2.gz JKKIRVPBCOFAAW-AWEZNQCLSA-N 2 2 252.427 2.957 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000381181870 518188072 /nfs/dbraw/zinc/18/80/72/518188072.db2.gz QENRBJVMTOSWAG-KKUMJFAQSA-N 2 2 267.376 2.717 10 0 CFAELP CC(C)[NH2+]Cc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000052376804 519729248 /nfs/dbraw/zinc/72/92/48/519729248.db2.gz ADCILMCBWAAAFB-UHFFFAOYSA-N 2 2 267.442 2.873 10 0 CFAELP CC(C)C[NH2+]CC1(C[NH+]2CCC([NH+](C)C)CC2)CCCC1 ZINC000051217164 519742842 /nfs/dbraw/zinc/74/28/42/519742842.db2.gz YJADEEFLDSXCGZ-UHFFFAOYSA-N 3 2 295.515 2.818 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000049204538 519814484 /nfs/dbraw/zinc/81/44/84/519814484.db2.gz OCADZSKAXZVZHP-LSDHHAIUSA-N 2 2 284.831 2.549 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000049198954 519814761 /nfs/dbraw/zinc/81/47/61/519814761.db2.gz SCEBVLIDAMJJOS-CJNGLKHVSA-N 2 2 276.424 2.858 10 0 CFAELP CCC[NH+]1CCC([C@H](C)[NH2+][C@H](C[NH+](C)C)C(C)C)CC1 ZINC000049197589 519847669 /nfs/dbraw/zinc/84/76/69/519847669.db2.gz POQDELDQSMSMGQ-DOTOQJQBSA-N 3 2 283.504 2.673 10 0 CFAELP CCCC1CC[NH+](CCC[C@@](C)([NH2+]C)C(=O)OCC)CC1 ZINC000050905776 519900945 /nfs/dbraw/zinc/90/09/45/519900945.db2.gz GNRVJDBCXPGODC-QGZVFWFLSA-N 2 2 298.471 2.820 10 0 CFAELP CCCC1CC[NH+]([C@H](C[NH3+])c2ccc3c(c2)OCO3)CC1 ZINC000050893300 519903152 /nfs/dbraw/zinc/90/31/52/519903152.db2.gz RQOVLZJKSJRQBX-OAHLLOKOSA-N 2 2 290.407 2.927 10 0 CFAELP CCC[NH2+]CC(CC)(CC)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000051213348 519908541 /nfs/dbraw/zinc/90/85/41/519908541.db2.gz VCIORWMXNOXSBN-UHFFFAOYSA-N 3 2 283.504 2.818 10 0 CFAELP CCC[NH2+]CC(CC)(CC)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000051213348 519908542 /nfs/dbraw/zinc/90/85/42/519908542.db2.gz VCIORWMXNOXSBN-UHFFFAOYSA-N 3 2 283.504 2.818 10 0 CFAELP CCCO[C@@H]1CCC[N@@H+]([C@@H](CC)C[NH2+]C(C)C)C1 ZINC000052371505 520273507 /nfs/dbraw/zinc/27/35/07/520273507.db2.gz VYICJRPBZGAIOP-LSDHHAIUSA-N 2 2 256.434 2.654 10 0 CFAELP CCCO[C@@H]1CCC[N@H+]([C@@H](CC)C[NH2+]C(C)C)C1 ZINC000052371505 520273514 /nfs/dbraw/zinc/27/35/14/520273514.db2.gz VYICJRPBZGAIOP-LSDHHAIUSA-N 2 2 256.434 2.654 10 0 CFAELP CC1(C)C[N@H+](Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000062624927 520479387 /nfs/dbraw/zinc/47/93/87/520479387.db2.gz ZRLFEJWJMJQQTA-UHFFFAOYSA-N 2 2 252.789 2.914 10 0 CFAELP CC1(C)C[N@@H+](Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000062624927 520479393 /nfs/dbraw/zinc/47/93/93/520479393.db2.gz ZRLFEJWJMJQQTA-UHFFFAOYSA-N 2 2 252.789 2.914 10 0 CFAELP CC[N@H+](CC1CC1)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000069237450 520964075 /nfs/dbraw/zinc/96/40/75/520964075.db2.gz DOMJBAUHUMVXKY-ZDUSSCGKSA-N 2 2 272.314 2.836 10 0 CFAELP CC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000069237450 520964088 /nfs/dbraw/zinc/96/40/88/520964088.db2.gz DOMJBAUHUMVXKY-ZDUSSCGKSA-N 2 2 272.314 2.836 10 0 CFAELP CCOC1CC[NH+]([C@H](C[NH3+])c2ccccc2CC)CC1 ZINC000052203625 521656638 /nfs/dbraw/zinc/65/66/38/521656638.db2.gz XVZQSEXWLYZZMQ-QGZVFWFLSA-N 2 2 276.424 2.750 10 0 CFAELP CCC[N@H+](Cc1ccc(F)cc1F)C(C)(C)C[NH3+] ZINC000050872215 521684514 /nfs/dbraw/zinc/68/45/14/521684514.db2.gz UDBKLJSPALLARZ-UHFFFAOYSA-N 2 2 256.340 2.914 10 0 CFAELP CCC[N@@H+](Cc1ccc(F)cc1F)C(C)(C)C[NH3+] ZINC000050872215 521684515 /nfs/dbraw/zinc/68/45/15/521684515.db2.gz UDBKLJSPALLARZ-UHFFFAOYSA-N 2 2 256.340 2.914 10 0 CFAELP CC[C@@H](C[NH2+]C(C)(C)C)[N@H+](C)CCc1ccncc1 ZINC000052483050 522543135 /nfs/dbraw/zinc/54/31/35/522543135.db2.gz WMWNPRBDZVHXLN-HNNXBMFYSA-N 2 2 263.429 2.723 10 0 CFAELP CC[C@@H](C[NH2+]C(C)(C)C)[N@@H+](C)CCc1ccncc1 ZINC000052483050 522543140 /nfs/dbraw/zinc/54/31/40/522543140.db2.gz WMWNPRBDZVHXLN-HNNXBMFYSA-N 2 2 263.429 2.723 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[NH+]1CCC(C)(C)CC1 ZINC000061818338 522648701 /nfs/dbraw/zinc/64/87/01/522648701.db2.gz DCNGZIJKDWWYDS-HUUCEWRRSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596721 523270860 /nfs/dbraw/zinc/27/08/60/523270860.db2.gz LHGFVKQVGLKAIH-CABCVRRESA-N 2 2 262.397 2.878 10 0 CFAELP CC[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596721 523270864 /nfs/dbraw/zinc/27/08/64/523270864.db2.gz LHGFVKQVGLKAIH-CABCVRRESA-N 2 2 262.397 2.878 10 0 CFAELP CCc1ccc([C@@H](C[NH3+])[NH+]2CCC(C)(C)CC2)o1 ZINC000061818899 524028745 /nfs/dbraw/zinc/02/87/45/524028745.db2.gz YXBIVGVMNWKNLU-CYBMUJFWSA-N 2 2 250.386 2.964 10 0 CFAELP Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000070178004 524177569 /nfs/dbraw/zinc/17/75/69/524177569.db2.gz PBURDBWTVWRAGC-ZBFHGGJFSA-N 2 2 276.424 2.741 10 0 CFAELP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000070178004 524177580 /nfs/dbraw/zinc/17/75/80/524177580.db2.gz PBURDBWTVWRAGC-ZBFHGGJFSA-N 2 2 276.424 2.741 10 0 CFAELP C[C@H](CC[NH2+]C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000052416641 524194444 /nfs/dbraw/zinc/19/44/44/524194444.db2.gz RVRSKBKMEPOXID-LLVKDONJSA-N 2 2 250.411 2.637 10 0 CFAELP C[C@H](CC[NH2+]C1CC1)[N@H+]1CCc2sccc2C1 ZINC000052416641 524194453 /nfs/dbraw/zinc/19/44/53/524194453.db2.gz RVRSKBKMEPOXID-LLVKDONJSA-N 2 2 250.411 2.637 10 0 CFAELP Cc1ccc(C[N@@H+](C)C[C@](C)([NH3+])c2ccccc2)o1 ZINC000052883304 524391281 /nfs/dbraw/zinc/39/12/81/524391281.db2.gz UQRMNLYAMAORPN-INIZCTEOSA-N 2 2 258.365 2.894 10 0 CFAELP Cc1ccc(C[N@H+](C)C[C@](C)([NH3+])c2ccccc2)o1 ZINC000052883304 524391292 /nfs/dbraw/zinc/39/12/92/524391292.db2.gz UQRMNLYAMAORPN-INIZCTEOSA-N 2 2 258.365 2.894 10 0 CFAELP C[C@@H](C[NH+]1CCCCC1)n1c[nH+]c2cc(N)ccc21 ZINC000052855489 524609535 /nfs/dbraw/zinc/60/95/35/524609535.db2.gz XOBAKOUUYYQNGK-LBPRGKRZSA-N 2 2 258.369 2.665 10 0 CFAELP Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)oc1C[NH2+]C(C)C ZINC000052476827 524713701 /nfs/dbraw/zinc/71/37/01/524713701.db2.gz SINSYBYGQJFEBC-UONOGXRCSA-N 2 2 280.412 2.695 10 0 CFAELP Cc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)oc1C[NH2+]C(C)C ZINC000052476827 524713711 /nfs/dbraw/zinc/71/37/11/524713711.db2.gz SINSYBYGQJFEBC-UONOGXRCSA-N 2 2 280.412 2.695 10 0 CFAELP C[C@H](Cn1cc[nH+]c1)NC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000049236432 524793030 /nfs/dbraw/zinc/79/30/30/524793030.db2.gz YMDKEPQGLBIPMW-TZMCWYRMSA-N 2 2 286.404 2.705 10 0 CFAELP Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000219759594 524886374 /nfs/dbraw/zinc/88/63/74/524886374.db2.gz AWIOECDPHXFIOZ-CQSZACIVSA-N 2 2 252.789 2.962 10 0 CFAELP Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000219759594 524886386 /nfs/dbraw/zinc/88/63/86/524886386.db2.gz AWIOECDPHXFIOZ-CQSZACIVSA-N 2 2 252.789 2.962 10 0 CFAELP C[C@@H](Cc1ccco1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000062771977 524928911 /nfs/dbraw/zinc/92/89/11/524928911.db2.gz VGHCQIFDONZUBZ-AWEZNQCLSA-N 2 2 250.386 2.532 10 0 CFAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@@H+](C)[C@@H]1CCSC1 ZINC000050578485 525001706 /nfs/dbraw/zinc/00/17/06/525001706.db2.gz JPFQOSWTLXFGLF-TZMCWYRMSA-N 2 2 268.401 2.571 10 0 CFAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@H+](C)[C@@H]1CCSC1 ZINC000050578485 525001719 /nfs/dbraw/zinc/00/17/19/525001719.db2.gz JPFQOSWTLXFGLF-TZMCWYRMSA-N 2 2 268.401 2.571 10 0 CFAELP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)s1 ZINC000311086201 525378458 /nfs/dbraw/zinc/37/84/58/525378458.db2.gz XSPYEJAEIOJVOV-GXSJLCMTSA-N 2 2 288.844 2.507 10 0 CFAELP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)s1 ZINC000311086201 525378467 /nfs/dbraw/zinc/37/84/67/525378467.db2.gz XSPYEJAEIOJVOV-GXSJLCMTSA-N 2 2 288.844 2.507 10 0 CFAELP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCC1)c1ccc2c(c1)CCO2 ZINC000049151249 525600420 /nfs/dbraw/zinc/60/04/20/525600420.db2.gz OTPUIUOHTFMTIT-UONOGXRCSA-N 2 2 274.408 2.756 10 0 CFAELP CSC[C@@H](C)C[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000069438245 525624053 /nfs/dbraw/zinc/62/40/53/525624053.db2.gz DWYXYKGLKXNZBF-DOTOQJQBSA-N 2 2 292.492 2.892 10 0 CFAELP CSC[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000069438245 525624066 /nfs/dbraw/zinc/62/40/66/525624066.db2.gz DWYXYKGLKXNZBF-DOTOQJQBSA-N 2 2 292.492 2.892 10 0 CFAELP C[C@@H]1[C@@H](C)CCC[N@@H+]1[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000050563737 525641393 /nfs/dbraw/zinc/64/13/93/525641393.db2.gz NIPRGQZDPTXWHM-GUTXKFCHSA-N 2 2 290.407 2.578 10 0 CFAELP C[C@@H]1[C@@H](C)CCC[N@H+]1[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000050563737 525641400 /nfs/dbraw/zinc/64/14/00/525641400.db2.gz NIPRGQZDPTXWHM-GUTXKFCHSA-N 2 2 290.407 2.578 10 0 CFAELP c1cc2c(s1)CCc1[nH]c(CC[NH2+]C3CC3)[nH+]c1-2 ZINC000061327011 526446870 /nfs/dbraw/zinc/44/68/70/526446870.db2.gz BROLTXFYOYHQEP-UHFFFAOYSA-N 2 2 259.378 2.531 10 0 CFAELP c1ccc([C@@H](C[NH2+]C2CC2)[N@@H+]2CCCSCC2)cc1 ZINC000052371190 526489321 /nfs/dbraw/zinc/48/93/21/526489321.db2.gz AMIXLELQDSWBDW-MRXNPFEDSA-N 2 2 276.449 2.919 10 0 CFAELP c1ccc([C@@H](C[NH2+]C2CC2)[N@H+]2CCCSCC2)cc1 ZINC000052371190 526489326 /nfs/dbraw/zinc/48/93/26/526489326.db2.gz AMIXLELQDSWBDW-MRXNPFEDSA-N 2 2 276.449 2.919 10 0 CFAELP c1coc(C[N@@H+]2CCC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000062626278 526566456 /nfs/dbraw/zinc/56/64/56/526566456.db2.gz DNRXPRDDJOTPPE-MRXNPFEDSA-N 2 2 256.349 2.816 10 0 CFAELP c1coc(C[N@H+]2CCC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000062626278 526566459 /nfs/dbraw/zinc/56/64/59/526566459.db2.gz DNRXPRDDJOTPPE-MRXNPFEDSA-N 2 2 256.349 2.816 10 0 CFAELP Cc1oc(C[NH2+]C(C)(C)C)cc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000052382720 526774313 /nfs/dbraw/zinc/77/43/13/526774313.db2.gz NTOKTXXNZHHOAM-LBPRGKRZSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1oc(C[NH2+]C(C)(C)C)cc1C[N@H+]1CCO[C@@H](C)C1 ZINC000052382720 526774320 /nfs/dbraw/zinc/77/43/20/526774320.db2.gz NTOKTXXNZHHOAM-LBPRGKRZSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1occc1C[N@@H+](C)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883455 526822746 /nfs/dbraw/zinc/82/27/46/526822746.db2.gz UPZKPTLGFVLMJP-MRXNPFEDSA-N 2 2 258.365 2.894 10 0 CFAELP Cc1occc1C[N@H+](C)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883455 526822753 /nfs/dbraw/zinc/82/27/53/526822753.db2.gz UPZKPTLGFVLMJP-MRXNPFEDSA-N 2 2 258.365 2.894 10 0 CFAELP [NH3+]Cc1ccc(F)c(C[NH+]2Cc3ccccc3C2)c1 ZINC000050910515 527255120 /nfs/dbraw/zinc/25/51/20/527255120.db2.gz DQUJDCJHJALWDD-UHFFFAOYSA-N 2 2 256.324 2.800 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@@H]12 ZINC000261558782 527367777 /nfs/dbraw/zinc/36/77/77/527367777.db2.gz DJOFEZHKRIZWTP-GPCCPHFNSA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@@H]12 ZINC000261558782 527367789 /nfs/dbraw/zinc/36/77/89/527367789.db2.gz DJOFEZHKRIZWTP-GPCCPHFNSA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@H]1c2ccccc2C[C@@H]1[NH+]1Cc2ccccc2C1 ZINC000050910985 527421073 /nfs/dbraw/zinc/42/10/73/527421073.db2.gz VZFAATYNXWCKCF-IRXDYDNUSA-N 2 2 250.345 2.627 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c(C)c2)C1 ZINC000414553363 527882557 /nfs/dbraw/zinc/88/25/57/527882557.db2.gz RDWNLRWXEDVVFW-ZDUSSCGKSA-N 2 2 252.789 2.832 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c(C)c2)C1 ZINC000414553363 527882562 /nfs/dbraw/zinc/88/25/62/527882562.db2.gz RDWNLRWXEDVVFW-ZDUSSCGKSA-N 2 2 252.789 2.832 10 0 CFAELP CC[N@@H+]1CCO[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000311463370 545516501 /nfs/dbraw/zinc/51/65/01/545516501.db2.gz MNARFTJLRYGXEX-OAHLLOKOSA-N 2 2 268.445 2.513 10 0 CFAELP CC[N@H+]1CCO[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000311463370 545516504 /nfs/dbraw/zinc/51/65/04/545516504.db2.gz MNARFTJLRYGXEX-OAHLLOKOSA-N 2 2 268.445 2.513 10 0 CFAELP CO[C@@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C12CCC2 ZINC000308394734 618207897 /nfs/dbraw/zinc/20/78/97/618207897.db2.gz OJZSDXKFQQLKKI-RRFJBIMHSA-N 2 2 268.445 2.510 10 0 CFAELP COc1ccc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H]3C)ccc2c1 ZINC000261736748 618399045 /nfs/dbraw/zinc/39/90/45/618399045.db2.gz LPRDARLRFORZAT-YVEFUNNKSA-N 2 2 270.376 2.770 10 0 CFAELP COc1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H]3C)ccc2c1 ZINC000261736748 618399050 /nfs/dbraw/zinc/39/90/50/618399050.db2.gz LPRDARLRFORZAT-YVEFUNNKSA-N 2 2 270.376 2.770 10 0 CFAELP CCN(c1[nH+]cccc1NC(C)(C)C)C1CC[NH2+]CC1 ZINC000034460659 346317567 /nfs/dbraw/zinc/31/75/67/346317567.db2.gz VJFTYCVDRYREBB-UHFFFAOYSA-N 2 2 276.428 2.870 10 0 CFAELP Cc1cc2ccccc2[nH+]c1NCC1CC[NH2+]CC1 ZINC000063106334 346696239 /nfs/dbraw/zinc/69/62/39/346696239.db2.gz VUAARICONMHXMC-UHFFFAOYSA-N 2 2 255.365 2.955 10 0 CFAELP C[NH2+]C[C@H]1CCCN(c2[nH+]c3ccccc3cc2C)C1 ZINC000063106306 346696254 /nfs/dbraw/zinc/69/62/54/346696254.db2.gz BTVHRRUPDCWQAC-CQSZACIVSA-N 2 2 269.392 2.979 10 0 CFAELP COC[C@@H](Cc1ccccc1)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000120344029 347806521 /nfs/dbraw/zinc/80/65/21/347806521.db2.gz QIIAMWONCVTNFT-ZWKOTPCHSA-N 2 2 292.467 2.810 10 0 CFAELP C[C@H]1CSC2(CC[NH+](Cc3ccccc3)CC2)[NH2+]1 ZINC000159143307 348010584 /nfs/dbraw/zinc/01/05/84/348010584.db2.gz IQXZTWUNSDBQSV-ZDUSSCGKSA-N 2 2 262.422 2.704 10 0 CFAELP Nc1c2ccc(Cl)cc2[nH+]c2c1CC[C@H](C[NH3+])C2 ZINC000168541022 348048265 /nfs/dbraw/zinc/04/82/65/348048265.db2.gz XNHOJLIQFFHLQI-QMMMGPOBSA-N 2 2 261.756 2.534 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000380189393 348522785 /nfs/dbraw/zinc/52/27/85/348522785.db2.gz BCBYJIRJYAKJEV-QGZVFWFLSA-N 2 2 267.376 2.733 10 0 CFAELP C[C@H]([N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC000588687701 348791794 /nfs/dbraw/zinc/79/17/94/348791794.db2.gz OBALMXMVJISLFA-RDJZCZTQSA-N 2 2 292.467 2.846 10 0 CFAELP C[C@H]([N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC000588687701 348791795 /nfs/dbraw/zinc/79/17/95/348791795.db2.gz OBALMXMVJISLFA-RDJZCZTQSA-N 2 2 292.467 2.846 10 0 CFAELP C[C@H]([NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000588687701 348791797 /nfs/dbraw/zinc/79/17/97/348791797.db2.gz OBALMXMVJISLFA-RDJZCZTQSA-N 2 2 292.467 2.846 10 0 CFAELP C[C@H]([NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000588687701 348791799 /nfs/dbraw/zinc/79/17/99/348791799.db2.gz OBALMXMVJISLFA-RDJZCZTQSA-N 2 2 292.467 2.846 10 0 CFAELP CCOC(=O)c1cccc([C@@H]2CCCCC[N@@H+]2CC[NH3+])c1 ZINC000616624683 352388826 /nfs/dbraw/zinc/38/88/26/352388826.db2.gz GDGZOCRDPFVHHZ-INIZCTEOSA-N 2 2 290.407 2.739 10 0 CFAELP CCOC(=O)c1cccc([C@@H]2CCCCC[N@H+]2CC[NH3+])c1 ZINC000616624683 352388831 /nfs/dbraw/zinc/38/88/31/352388831.db2.gz GDGZOCRDPFVHHZ-INIZCTEOSA-N 2 2 290.407 2.739 10 0 CFAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1cnnc2ccccc21 ZINC000616625804 352388997 /nfs/dbraw/zinc/38/89/97/352388997.db2.gz WNRTWPZOPWKRPC-INIZCTEOSA-N 2 2 270.380 2.506 10 0 CFAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1cnnc2ccccc21 ZINC000616625804 352389001 /nfs/dbraw/zinc/38/90/01/352389001.db2.gz WNRTWPZOPWKRPC-INIZCTEOSA-N 2 2 270.380 2.506 10 0 CFAELP CNc1ccc([C@H]2c3ccccc3CC[N@H+]2CC[NH3+])cc1 ZINC000616691729 352415156 /nfs/dbraw/zinc/41/51/56/352415156.db2.gz LXCZAPCTTMREGS-SFHVURJKSA-N 2 2 281.403 2.635 10 0 CFAELP CNc1ccc([C@H]2c3ccccc3CC[N@@H+]2CC[NH3+])cc1 ZINC000616691729 352415159 /nfs/dbraw/zinc/41/51/59/352415159.db2.gz LXCZAPCTTMREGS-SFHVURJKSA-N 2 2 281.403 2.635 10 0 CFAELP C[C@]12C[NH2+]C[C@@]1(C)CN(c1cc(C(F)(F)F)cc[nH+]1)C2 ZINC000630538918 355106953 /nfs/dbraw/zinc/10/69/53/355106953.db2.gz RJHDQXKOAHMOLS-BETUJISGSA-N 2 2 285.313 2.536 10 0 CFAELP C[C@@H]1C[N@H+](Cc2cc(F)ccc2Cl)C[C@@H]1C[NH3+] ZINC000631837307 355600032 /nfs/dbraw/zinc/60/00/32/355600032.db2.gz AHXSRTWDSZCNSV-KOLCDFICSA-N 2 2 256.752 2.506 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Cl)C[C@@H]1C[NH3+] ZINC000631837307 355600036 /nfs/dbraw/zinc/60/00/36/355600036.db2.gz AHXSRTWDSZCNSV-KOLCDFICSA-N 2 2 256.752 2.506 10 0 CFAELP C[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@@H]1C[NH3+] ZINC000631838215 355601339 /nfs/dbraw/zinc/60/13/39/355601339.db2.gz KREYVJCYPINUKX-KOLCDFICSA-N 2 2 256.752 2.506 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@@H]1C[NH3+] ZINC000631838215 355601344 /nfs/dbraw/zinc/60/13/44/355601344.db2.gz KREYVJCYPINUKX-KOLCDFICSA-N 2 2 256.752 2.506 10 0 CFAELP C[C@@H]1C[N@H+](Cc2csc(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000631840534 355602922 /nfs/dbraw/zinc/60/29/22/355602922.db2.gz TTZDJZXDNNFCRS-TZMCWYRMSA-N 2 2 287.432 2.837 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2csc(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000631840534 355602924 /nfs/dbraw/zinc/60/29/24/355602924.db2.gz TTZDJZXDNNFCRS-TZMCWYRMSA-N 2 2 287.432 2.837 10 0 CFAELP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccc(Br)cc1 ZINC000211997025 540188643 /nfs/dbraw/zinc/18/86/43/540188643.db2.gz DWMYEQRNZNKIMH-NWDGAFQWSA-N 2 2 269.186 2.543 10 0 CFAELP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccc(Br)cc1 ZINC000211997025 540188646 /nfs/dbraw/zinc/18/86/46/540188646.db2.gz DWMYEQRNZNKIMH-NWDGAFQWSA-N 2 2 269.186 2.543 10 0 CFAELP Cc1cc([C@@H]2C[C@@H]([NH3+])CC[N@H+]2C)ccc1Br ZINC000675055508 540637300 /nfs/dbraw/zinc/63/73/00/540637300.db2.gz UONNVDJXWQJSCH-AAEUAGOBSA-N 2 2 283.213 2.852 10 0 CFAELP Cc1cc([C@@H]2C[C@@H]([NH3+])CC[N@@H+]2C)ccc1Br ZINC000675055508 540637302 /nfs/dbraw/zinc/63/73/02/540637302.db2.gz UONNVDJXWQJSCH-AAEUAGOBSA-N 2 2 283.213 2.852 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc2nccn21 ZINC000180614647 189265744 /nfs/dbraw/zinc/26/57/44/189265744.db2.gz UPPUJQLGYJPBAZ-HNNXBMFYSA-N 2 2 295.390 2.504 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc2nccn21 ZINC000180614647 189265745 /nfs/dbraw/zinc/26/57/45/189265745.db2.gz UPPUJQLGYJPBAZ-HNNXBMFYSA-N 2 2 295.390 2.504 10 0 CFAELP Cc1cnc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000180503760 189259294 /nfs/dbraw/zinc/25/92/94/189259294.db2.gz YSQRTELQDHFPEK-CYBMUJFWSA-N 2 2 288.420 2.781 10 0 CFAELP Cc1cnc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000180503760 189259295 /nfs/dbraw/zinc/25/92/95/189259295.db2.gz YSQRTELQDHFPEK-CYBMUJFWSA-N 2 2 288.420 2.781 10 0 CFAELP C[NH2+]C[C@H]1[NH2+]C[C@H](c2ccccc2)c2ccccc21 ZINC000025965412 372311000 /nfs/dbraw/zinc/31/10/00/372311000.db2.gz UYHHYORUPUOBTL-IAGOWNOFSA-N 2 2 252.361 2.682 10 0 CFAELP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000043512058 372993761 /nfs/dbraw/zinc/99/37/61/372993761.db2.gz HCBBRUIRWWEHLJ-LBPRGKRZSA-N 2 2 258.287 2.629 10 0 CFAELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000043512058 372993766 /nfs/dbraw/zinc/99/37/66/372993766.db2.gz HCBBRUIRWWEHLJ-LBPRGKRZSA-N 2 2 258.287 2.629 10 0 CFAELP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@]1(C)CC[NH+](C)C1 ZINC000067847229 374008337 /nfs/dbraw/zinc/00/83/37/374008337.db2.gz WHGZWFLMPBAVNL-GOSISDBHSA-N 3 2 298.434 2.646 10 0 CFAELP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@]1(C)CC[NH+](C)C1 ZINC000067847229 374008341 /nfs/dbraw/zinc/00/83/41/374008341.db2.gz WHGZWFLMPBAVNL-GOSISDBHSA-N 3 2 298.434 2.646 10 0 CFAELP C[NH+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@]1(C)CC[N@H+](C)C1 ZINC000067847229 374008342 /nfs/dbraw/zinc/00/83/42/374008342.db2.gz WHGZWFLMPBAVNL-GOSISDBHSA-N 3 2 298.434 2.646 10 0 CFAELP C[NH+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@]1(C)CC[N@@H+](C)C1 ZINC000067847229 374008350 /nfs/dbraw/zinc/00/83/50/374008350.db2.gz WHGZWFLMPBAVNL-GOSISDBHSA-N 3 2 298.434 2.646 10 0 CFAELP CCc1c(C)[nH+]c(-c2ccccc2)nc1N1CC[C@H]([NH3+])C1 ZINC000070455777 374179274 /nfs/dbraw/zinc/17/92/74/374179274.db2.gz HIWCNRAPPBRCHK-AWEZNQCLSA-N 2 2 282.391 2.552 10 0 CFAELP CCCc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccccc2)[nH+]1 ZINC000070455776 374179441 /nfs/dbraw/zinc/17/94/41/374179441.db2.gz GOUKKKIDUHXGFW-CQSZACIVSA-N 2 2 282.391 2.634 10 0 CFAELP CCC[C@@H]1C[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000090176277 374996199 /nfs/dbraw/zinc/99/61/99/374996199.db2.gz XFTXBEXNXQYMEW-UKRRQHHQSA-N 2 2 259.397 2.829 10 0 CFAELP CC(C)[NH2+][C@@H](CCO)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095088329 375410199 /nfs/dbraw/zinc/41/01/99/375410199.db2.gz YEMXGGYLQTUABN-ZWKOTPCHSA-N 2 2 290.451 2.790 10 0 CFAELP CC(C)[NH2+][C@@H](CCO)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095088329 375410204 /nfs/dbraw/zinc/41/02/04/375410204.db2.gz YEMXGGYLQTUABN-ZWKOTPCHSA-N 2 2 290.451 2.790 10 0 CFAELP Cc1nc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cs1 ZINC000120610391 376652073 /nfs/dbraw/zinc/65/20/73/376652073.db2.gz NTOXBOCXISJANP-ZDUSSCGKSA-N 2 2 288.420 2.781 10 0 CFAELP Cc1nc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cs1 ZINC000120610391 376652082 /nfs/dbraw/zinc/65/20/82/376652082.db2.gz NTOXBOCXISJANP-ZDUSSCGKSA-N 2 2 288.420 2.781 10 0 CFAELP C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000121449471 376834246 /nfs/dbraw/zinc/83/42/46/376834246.db2.gz JENBQEHYCKRNID-ZENOOKHLSA-N 2 2 271.364 2.700 10 0 CFAELP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000123250395 376951825 /nfs/dbraw/zinc/95/18/25/376951825.db2.gz PXSZXVUHBHZYMV-LBPRGKRZSA-N 2 2 275.783 2.811 10 0 CFAELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000123250395 376951835 /nfs/dbraw/zinc/95/18/35/376951835.db2.gz PXSZXVUHBHZYMV-LBPRGKRZSA-N 2 2 275.783 2.811 10 0 CFAELP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(C)s1 ZINC000151257678 378312751 /nfs/dbraw/zinc/31/27/51/378312751.db2.gz GHJXKSKXWOCMQS-UKRRQHHQSA-N 2 2 296.480 2.862 10 0 CFAELP CCC[C@@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[NH+](C)C ZINC000161865268 378877109 /nfs/dbraw/zinc/87/71/09/378877109.db2.gz JWSDYOUPCGQJBX-AWEZNQCLSA-N 2 2 286.379 2.746 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000171613747 379355604 /nfs/dbraw/zinc/35/56/04/379355604.db2.gz BRIIOVMPOWREJU-ZDUSSCGKSA-N 2 2 276.409 2.739 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000171613747 379355612 /nfs/dbraw/zinc/35/56/12/379355612.db2.gz BRIIOVMPOWREJU-ZDUSSCGKSA-N 2 2 276.409 2.739 10 0 CFAELP CCC[C@H](C)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000180095620 380618399 /nfs/dbraw/zinc/61/83/99/380618399.db2.gz YZBNIJJMFTVGHB-INIZCTEOSA-N 2 2 292.471 2.716 10 0 CFAELP CCC[C@H](C)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000180095620 380618410 /nfs/dbraw/zinc/61/84/10/380618410.db2.gz YZBNIJJMFTVGHB-INIZCTEOSA-N 2 2 292.471 2.716 10 0 CFAELP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000400391212 380855690 /nfs/dbraw/zinc/85/56/90/380855690.db2.gz NIMGHCIJENKOID-PKFCDNJMSA-N 2 2 254.324 2.756 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1F ZINC000400401465 380858364 /nfs/dbraw/zinc/85/83/64/380858364.db2.gz QAHMDOVGWULCQF-YWPYICTPSA-N 2 2 250.361 2.925 10 0 CFAELP Cc1nc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC000348318280 381504210 /nfs/dbraw/zinc/50/42/10/381504210.db2.gz KDTMSZIBYJEUPJ-PWSUYJOCSA-N 2 2 253.415 2.586 10 0 CFAELP Cc1nc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cs1 ZINC000348318280 381504215 /nfs/dbraw/zinc/50/42/15/381504215.db2.gz KDTMSZIBYJEUPJ-PWSUYJOCSA-N 2 2 253.415 2.586 10 0 CFAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000358411483 382604064 /nfs/dbraw/zinc/60/40/64/382604064.db2.gz YXMIJELNJQHKRV-MJVIPROJSA-N 2 2 252.789 2.941 10 0 CFAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000358411483 382604067 /nfs/dbraw/zinc/60/40/67/382604067.db2.gz YXMIJELNJQHKRV-MJVIPROJSA-N 2 2 252.789 2.941 10 0 CFAELP C[C@H](C[NH2+]C[C@H](O)C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000390632944 382618966 /nfs/dbraw/zinc/61/89/66/382618966.db2.gz BSKXGYNMKUIKQY-ZBFHGGJFSA-N 2 2 278.440 2.504 10 0 CFAELP C[C@H](C[NH2+]C[C@H](O)C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000390632944 382618969 /nfs/dbraw/zinc/61/89/69/382618969.db2.gz BSKXGYNMKUIKQY-ZBFHGGJFSA-N 2 2 278.440 2.504 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cncc(C)c1 ZINC000189916396 382645138 /nfs/dbraw/zinc/64/51/38/382645138.db2.gz FDLHYEXYBOVPPC-INIZCTEOSA-N 2 2 270.380 2.560 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cncc(C)c1 ZINC000189916396 382645139 /nfs/dbraw/zinc/64/51/39/382645139.db2.gz FDLHYEXYBOVPPC-INIZCTEOSA-N 2 2 270.380 2.560 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336832016 382726409 /nfs/dbraw/zinc/72/64/09/382726409.db2.gz DWEKTCQBELOOML-JHJVBQTASA-N 2 2 296.377 2.662 10 0 CFAELP CCCn1c(C)c[nH+]c1[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000575316654 382758168 /nfs/dbraw/zinc/75/81/68/382758168.db2.gz UDKBWOXFTJSOFE-INIZCTEOSA-N 2 2 284.407 2.986 10 0 CFAELP CCCn1c(C)c[nH+]c1[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000575316654 382758169 /nfs/dbraw/zinc/75/81/69/382758169.db2.gz UDKBWOXFTJSOFE-INIZCTEOSA-N 2 2 284.407 2.986 10 0 CFAELP C[C@@H]1C[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000634999190 383456002 /nfs/dbraw/zinc/45/60/02/383456002.db2.gz RAVDZVQULSDKQW-KOLCDFICSA-N 2 2 290.304 2.871 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000634999190 383456008 /nfs/dbraw/zinc/45/60/08/383456008.db2.gz RAVDZVQULSDKQW-KOLCDFICSA-N 2 2 290.304 2.871 10 0 CFAELP [NH3+]C1CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000261558105 383511457 /nfs/dbraw/zinc/51/14/57/383511457.db2.gz XVGGUGXPHTVJMW-ABHNRTSZSA-N 3 2 287.451 2.511 10 0 CFAELP [NH3+]C1CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000261558105 383511461 /nfs/dbraw/zinc/51/14/61/383511461.db2.gz XVGGUGXPHTVJMW-ABHNRTSZSA-N 3 2 287.451 2.511 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3coc(-c4cccs4)n3)C[C@@H]12 ZINC000261664808 383539358 /nfs/dbraw/zinc/53/93/58/383539358.db2.gz FHZDXHDCZWUHBT-CYZMBNFOSA-N 2 2 289.404 2.572 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3coc(-c4cccs4)n3)C[C@@H]12 ZINC000261664808 383539365 /nfs/dbraw/zinc/53/93/65/383539365.db2.gz FHZDXHDCZWUHBT-CYZMBNFOSA-N 2 2 289.404 2.572 10 0 CFAELP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)s2)cc1 ZINC000261960329 383587566 /nfs/dbraw/zinc/58/75/66/383587566.db2.gz HGLNCWJHIRGCGN-DOMZBBRYSA-N 2 2 287.432 2.898 10 0 CFAELP Cc1ccc(-c2ncc(C[N@@H+]3C[C@@H](C)[C@@H]([NH3+])C3)s2)cc1 ZINC000261960329 383587569 /nfs/dbraw/zinc/58/75/69/383587569.db2.gz HGLNCWJHIRGCGN-DOMZBBRYSA-N 2 2 287.432 2.898 10 0 CFAELP Cn1c2ccccc2[nH+]c1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262476809 383623683 /nfs/dbraw/zinc/62/36/83/383623683.db2.gz JQDYRZVJPZUEJD-MRXNPFEDSA-N 2 2 292.386 2.872 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CCC(C)([NH3+])CC1 ZINC000643028748 384477774 /nfs/dbraw/zinc/47/77/74/384477774.db2.gz UJFXQWFDAXDRHJ-UHFFFAOYSA-N 2 2 255.365 2.861 10 0 CFAELP CCc1cc(N2CCc3c([nH+]c(C(C)C)n3C)C2)nc(C)[nH+]1 ZINC000272841774 385631514 /nfs/dbraw/zinc/63/15/14/385631514.db2.gz IRTDETBJNRIPFB-UHFFFAOYSA-N 2 2 299.422 2.767 10 0 CFAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H]1CC2CCC1CC2 ZINC000381745744 393566838 /nfs/dbraw/zinc/56/68/38/393566838.db2.gz VDVIEYQIKBNTSP-NXSPZCGBSA-N 2 2 250.430 2.885 10 0 CFAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@H]1CC2CCC1CC2 ZINC000381745744 393566844 /nfs/dbraw/zinc/56/68/44/393566844.db2.gz VDVIEYQIKBNTSP-NXSPZCGBSA-N 2 2 250.430 2.885 10 0 CFAELP Cc1cc(N2CCc3c([nH+]c(C(C)C)n3C)C2)nc(C)[nH+]1 ZINC000108952516 393877399 /nfs/dbraw/zinc/87/73/99/393877399.db2.gz UIYUGGGWUIQGMZ-UHFFFAOYSA-N 2 2 285.395 2.513 10 0 CFAELP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc[nH+]1 ZINC000119680833 393924225 /nfs/dbraw/zinc/92/42/25/393924225.db2.gz VMFKHBZZXXPRIM-OAHLLOKOSA-N 2 2 290.411 2.632 10 0 CFAELP Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc[nH+]1 ZINC000119680833 393924229 /nfs/dbraw/zinc/92/42/29/393924229.db2.gz VMFKHBZZXXPRIM-OAHLLOKOSA-N 2 2 290.411 2.632 10 0 CFAELP Cc1cc2cc(C[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)oc2cc1C ZINC000261924617 393951172 /nfs/dbraw/zinc/95/11/72/393951172.db2.gz BZVROFXKGKEXGA-DOMZBBRYSA-N 2 2 258.365 2.829 10 0 CFAELP Cc1cc2cc(C[N@@H+]3C[C@@H](C)[C@@H]([NH3+])C3)oc2cc1C ZINC000261924617 393951176 /nfs/dbraw/zinc/95/11/76/393951176.db2.gz BZVROFXKGKEXGA-DOMZBBRYSA-N 2 2 258.365 2.829 10 0 CFAELP Fc1cc(F)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1F ZINC000185223832 543047215 /nfs/dbraw/zinc/04/72/15/543047215.db2.gz PGYVEONXRGKMGO-LBPRGKRZSA-N 2 2 295.308 2.965 10 0 CFAELP Fc1cc(F)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1F ZINC000185223832 543047218 /nfs/dbraw/zinc/04/72/18/543047218.db2.gz PGYVEONXRGKMGO-LBPRGKRZSA-N 2 2 295.308 2.965 10 0 CFAELP [NH3+]CC1(CCNc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000395868315 397554336 /nfs/dbraw/zinc/55/43/36/397554336.db2.gz IJGRCWXNMPBNCW-UHFFFAOYSA-N 2 2 259.275 2.641 10 0 CFAELP C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000400391214 287051068 /nfs/dbraw/zinc/05/10/68/287051068.db2.gz NIMGHCIJENKOID-RBZYPMLTSA-N 2 2 254.324 2.756 10 0 CFAELP C[C@H]([NH2+]CC[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC000021956974 171341822 /nfs/dbraw/zinc/34/18/22/171341822.db2.gz PYMQTOTVHJYVQM-AXQFOSQISA-N 2 2 250.430 2.743 10 0 CFAELP C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000022165559 171365933 /nfs/dbraw/zinc/36/59/33/171365933.db2.gz DYFBOAAPWLENIQ-ZOWXZIJZSA-N 2 2 250.361 2.803 10 0 CFAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000022165559 171365935 /nfs/dbraw/zinc/36/59/35/171365935.db2.gz DYFBOAAPWLENIQ-ZOWXZIJZSA-N 2 2 250.361 2.803 10 0 CFAELP COc1cccc([C@H](C[NH3+])[N@H+](C)C2CCCCC2)c1OC ZINC000022168998 171367361 /nfs/dbraw/zinc/36/73/61/171367361.db2.gz BTHVWTRVJXJKFY-HNNXBMFYSA-N 2 2 292.423 2.968 10 0 CFAELP COc1cccc([C@H](C[NH3+])[N@@H+](C)C2CCCCC2)c1OC ZINC000022168998 171367363 /nfs/dbraw/zinc/36/73/63/171367363.db2.gz BTHVWTRVJXJKFY-HNNXBMFYSA-N 2 2 292.423 2.968 10 0 CFAELP CC(C)[N@H+](C)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000022172287 171368587 /nfs/dbraw/zinc/36/85/87/171368587.db2.gz OBDKJYTWDOBLQR-GFCCVEGCSA-N 2 2 271.202 2.789 10 0 CFAELP CC(C)[N@@H+](C)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000022172287 171368589 /nfs/dbraw/zinc/36/85/89/171368589.db2.gz OBDKJYTWDOBLQR-GFCCVEGCSA-N 2 2 271.202 2.789 10 0 CFAELP C[NH+](C)[C@H](C[NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000022175532 171370445 /nfs/dbraw/zinc/37/04/45/171370445.db2.gz PRVXCUHNMYUBRQ-SNVBAGLBSA-N 2 2 264.316 2.860 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(F)cc1Cl ZINC000035503935 172237432 /nfs/dbraw/zinc/23/74/32/172237432.db2.gz OFKIIUDQSMJKCM-NSHDSACASA-N 2 2 253.708 2.705 10 0 CFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(F)c(F)c1 ZINC000035570210 172264990 /nfs/dbraw/zinc/26/49/90/172264990.db2.gz GFWANHVKYWKZNS-LBPRGKRZSA-N 2 2 251.280 2.581 10 0 CFAELP Cc1cc2[nH+]cn([C@H](C[NH3+])C(F)(F)F)c2cc1C ZINC000037169791 173004244 /nfs/dbraw/zinc/00/42/44/173004244.db2.gz FMWTXXNHMFKELZ-LLVKDONJSA-N 2 2 257.259 2.715 10 0 CFAELP CC[C@@H](C)C[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000037172644 173006879 /nfs/dbraw/zinc/00/68/79/173006879.db2.gz YNHDJZFDHNHDEI-DOMZBBRYSA-N 2 2 250.386 2.673 10 0 CFAELP CC[C@@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000037172644 173006882 /nfs/dbraw/zinc/00/68/82/173006882.db2.gz YNHDJZFDHNHDEI-DOMZBBRYSA-N 2 2 250.386 2.673 10 0 CFAELP CCC[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC000037241062 173058038 /nfs/dbraw/zinc/05/80/38/173058038.db2.gz ICXAENKWWFJPOJ-UHFFFAOYSA-N 2 2 262.397 2.659 10 0 CFAELP CC[C@H](C)C[C@](CC)(C[NH3+])[NH+]1CCC(OC)CC1 ZINC000037265980 173074903 /nfs/dbraw/zinc/07/49/03/173074903.db2.gz ATRHKKMGTVLQJL-DZGCQCFKSA-N 2 2 256.434 2.641 10 0 CFAELP Cc1ccc(-c2c[nH]c(CC3CC[NH2+]CC3)[nH+]2)cc1 ZINC000038076160 174086555 /nfs/dbraw/zinc/08/65/55/174086555.db2.gz MZUVEVYZFWOTRX-UHFFFAOYSA-N 2 2 255.365 2.927 10 0 CFAELP COc1ccc(OC)c([C@@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000039789158 174173482 /nfs/dbraw/zinc/17/34/82/174173482.db2.gz KFBZPOPUHBSIAN-DVOMOZLQSA-N 2 2 292.423 2.682 10 0 CFAELP COc1ccc(OC)c([C@@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000039789158 174173484 /nfs/dbraw/zinc/17/34/84/174173484.db2.gz KFBZPOPUHBSIAN-DVOMOZLQSA-N 2 2 292.423 2.682 10 0 CFAELP Cc1cc(C)c(C[NH3+])c(N(C)Cc2ccc(F)cc2)[nH+]1 ZINC000040509468 174303256 /nfs/dbraw/zinc/30/32/56/174303256.db2.gz COIQTQYXORZUAF-UHFFFAOYSA-N 2 2 273.355 2.933 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000040638525 174362782 /nfs/dbraw/zinc/36/27/82/174362782.db2.gz QCUNFLUFKOLFHD-UHFFFAOYSA-N 2 2 283.297 2.771 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000040638635 174363365 /nfs/dbraw/zinc/36/33/65/174363365.db2.gz XAXBHGCNPJAUBN-UHFFFAOYSA-N 2 2 299.296 2.651 10 0 CFAELP COc1ccc([C@@H]([NH2+]CCc2[nH+]ccn2C)C2CC2)cc1 ZINC000040639212 174363876 /nfs/dbraw/zinc/36/38/76/174363876.db2.gz CRHDDISOEFCDBT-KRWDZBQOSA-N 2 2 285.391 2.712 10 0 CFAELP Cc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040673106 174370987 /nfs/dbraw/zinc/37/09/87/174370987.db2.gz KLXOPBQPHFNXQE-GDBMZVCRSA-N 2 2 274.408 2.893 10 0 CFAELP Cc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040673106 174370989 /nfs/dbraw/zinc/37/09/89/174370989.db2.gz KLXOPBQPHFNXQE-GDBMZVCRSA-N 2 2 274.408 2.893 10 0 CFAELP COCc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)ccc1OC ZINC000040672747 174371131 /nfs/dbraw/zinc/37/11/31/174371131.db2.gz ODAVVODLPKJCBH-XJKSGUPXSA-N 2 2 292.423 2.586 10 0 CFAELP COCc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000040672747 174371132 /nfs/dbraw/zinc/37/11/32/174371132.db2.gz ODAVVODLPKJCBH-XJKSGUPXSA-N 2 2 292.423 2.586 10 0 CFAELP CCOC1CC[NH+]([C@@H](C[NH3+])c2ccc(CC)cc2)CC1 ZINC000040689126 174375645 /nfs/dbraw/zinc/37/56/45/174375645.db2.gz VFPQMYXGCFRNBY-KRWDZBQOSA-N 2 2 276.424 2.750 10 0 CFAELP CC(C)Oc1cccc([C@H](C[NH3+])[N@@H+]2CC[C@@H](C)C2)c1 ZINC000040717144 174384318 /nfs/dbraw/zinc/38/43/18/174384318.db2.gz DAKYPRUSYOHDAH-CJNGLKHVSA-N 2 2 262.397 2.815 10 0 CFAELP CC(C)Oc1cccc([C@H](C[NH3+])[N@H+]2CC[C@@H](C)C2)c1 ZINC000040717144 174384319 /nfs/dbraw/zinc/38/43/19/174384319.db2.gz DAKYPRUSYOHDAH-CJNGLKHVSA-N 2 2 262.397 2.815 10 0 CFAELP CC[N@H+](Cc1csc(C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747535 174392879 /nfs/dbraw/zinc/39/28/79/174392879.db2.gz DYXRGBUDBFHEGP-ONXXMXGDSA-N 2 2 265.426 2.556 10 0 CFAELP CC[N@@H+](Cc1csc(C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747535 174392880 /nfs/dbraw/zinc/39/28/80/174392880.db2.gz DYXRGBUDBFHEGP-ONXXMXGDSA-N 2 2 265.426 2.556 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)cc1 ZINC000040749245 174394115 /nfs/dbraw/zinc/39/41/15/174394115.db2.gz WMYLZQVQSGJPQZ-AGUYFDCRSA-N 2 2 295.224 2.903 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)cc1 ZINC000040749245 174394117 /nfs/dbraw/zinc/39/41/17/174394117.db2.gz WMYLZQVQSGJPQZ-AGUYFDCRSA-N 2 2 295.224 2.903 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(-c2cccs2)n1 ZINC000040750262 174394960 /nfs/dbraw/zinc/39/49/60/174394960.db2.gz SAWRVCZOMKOOJM-VGPLMAKISA-N 2 2 289.404 2.857 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(-c2cccs2)n1 ZINC000040750262 174394961 /nfs/dbraw/zinc/39/49/61/174394961.db2.gz SAWRVCZOMKOOJM-VGPLMAKISA-N 2 2 289.404 2.857 10 0 CFAELP CCC[NH+]1CCC([C@H](C)[NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000040767744 174398270 /nfs/dbraw/zinc/39/82/70/174398270.db2.gz YLAQWSXVRKDVDX-KRWDZBQOSA-N 3 2 295.515 2.963 10 0 CFAELP CC[N@H+](C[C@@H]1CCCO1)[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043314856 175004871 /nfs/dbraw/zinc/00/48/71/175004871.db2.gz HTKPLDMCINUVFH-RDJZCZTQSA-N 2 2 276.424 2.804 10 0 CFAELP CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043314856 175004872 /nfs/dbraw/zinc/00/48/72/175004872.db2.gz HTKPLDMCINUVFH-RDJZCZTQSA-N 2 2 276.424 2.804 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](C)CCc1ccccn1 ZINC000043363924 175024501 /nfs/dbraw/zinc/02/45/01/175024501.db2.gz RFRYZQXQUNXXLO-RDJZCZTQSA-N 2 2 287.407 2.936 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](C)CCc1ccccn1 ZINC000043363924 175024502 /nfs/dbraw/zinc/02/45/02/175024502.db2.gz RFRYZQXQUNXXLO-RDJZCZTQSA-N 2 2 287.407 2.936 10 0 CFAELP CC(C)CCc1noc([C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)n1 ZINC000043373852 175029793 /nfs/dbraw/zinc/02/97/93/175029793.db2.gz ULOZFYQFQLADQR-AWEZNQCLSA-N 2 2 292.427 2.547 10 0 CFAELP CC(C)CCc1noc([C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)n1 ZINC000043373852 175029794 /nfs/dbraw/zinc/02/97/94/175029794.db2.gz ULOZFYQFQLADQR-AWEZNQCLSA-N 2 2 292.427 2.547 10 0 CFAELP [NH3+]CC1([N@@H+]2CCO[C@H]3CCC[C@@H]32)CCCCCCC1 ZINC000043424619 175040287 /nfs/dbraw/zinc/04/02/87/175040287.db2.gz BBLFBQHQUWYWGA-GJZGRUSLSA-N 2 2 266.429 2.682 10 0 CFAELP CC(C)[N@H+](CCC(N)=[NH2+])Cc1cc(F)ccc1F ZINC000043458782 175050388 /nfs/dbraw/zinc/05/03/88/175050388.db2.gz MUMGUKAHNHJIMQ-UHFFFAOYSA-N 2 2 255.312 2.501 10 0 CFAELP CC(C)[N@@H+](CCC(N)=[NH2+])Cc1cc(F)ccc1F ZINC000043458782 175050389 /nfs/dbraw/zinc/05/03/89/175050389.db2.gz MUMGUKAHNHJIMQ-UHFFFAOYSA-N 2 2 255.312 2.501 10 0 CFAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1F ZINC000043458831 175050550 /nfs/dbraw/zinc/05/05/50/175050550.db2.gz KSXTVOURPRHBES-MNOVXSKESA-N 2 2 254.324 2.524 10 0 CFAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1F ZINC000043458831 175050551 /nfs/dbraw/zinc/05/05/51/175050551.db2.gz KSXTVOURPRHBES-MNOVXSKESA-N 2 2 254.324 2.524 10 0 CFAELP C[C@@H](C[C@H](C[NH3+])[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000043534833 175062895 /nfs/dbraw/zinc/06/28/95/175062895.db2.gz ZZQINAKZTXCEOK-GOEBONIOSA-N 2 2 276.424 2.618 10 0 CFAELP C[C@@H](C[C@H](C[NH3+])[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000043534833 175062896 /nfs/dbraw/zinc/06/28/96/175062896.db2.gz ZZQINAKZTXCEOK-GOEBONIOSA-N 2 2 276.424 2.618 10 0 CFAELP Cc1cccc2[nH]c([C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)nc21 ZINC000043598633 175077223 /nfs/dbraw/zinc/07/72/23/175077223.db2.gz RHNHJVKGWNDAGG-HNNXBMFYSA-N 2 2 284.407 2.760 10 0 CFAELP Cc1cccc2[nH]c([C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)nc21 ZINC000043598633 175077224 /nfs/dbraw/zinc/07/72/24/175077224.db2.gz RHNHJVKGWNDAGG-HNNXBMFYSA-N 2 2 284.407 2.760 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811609 175111280 /nfs/dbraw/zinc/11/12/80/175111280.db2.gz YHQVXZXMSQHUIN-QXSJWSMHSA-N 2 2 268.445 2.797 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811609 175111281 /nfs/dbraw/zinc/11/12/81/175111281.db2.gz YHQVXZXMSQHUIN-QXSJWSMHSA-N 2 2 268.445 2.797 10 0 CFAELP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898597 175121236 /nfs/dbraw/zinc/12/12/36/175121236.db2.gz IJZAZFDNZKSJLE-BPUTZDHNSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898597 175121237 /nfs/dbraw/zinc/12/12/37/175121237.db2.gz IJZAZFDNZKSJLE-BPUTZDHNSA-N 2 2 268.445 2.654 10 0 CFAELP C[NH2+][C@@H](C[N@H+](C)Cc1ccc(OC)cc1)C(C)(C)C ZINC000043911440 175123670 /nfs/dbraw/zinc/12/36/70/175123670.db2.gz AWSPLWDEJYPHGN-HNNXBMFYSA-N 2 2 264.413 2.761 10 0 CFAELP C[NH2+][C@@H](C[N@@H+](C)Cc1ccc(OC)cc1)C(C)(C)C ZINC000043911440 175123671 /nfs/dbraw/zinc/12/36/71/175123671.db2.gz AWSPLWDEJYPHGN-HNNXBMFYSA-N 2 2 264.413 2.761 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@H](CC)[N@@H+]1CCOCC1(C)C ZINC000043917101 175125822 /nfs/dbraw/zinc/12/58/22/175125822.db2.gz GLCLVDXYLUQVDA-KBPBESRZSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@H](CC)[N@H+]1CCOCC1(C)C ZINC000043917101 175125823 /nfs/dbraw/zinc/12/58/23/175125823.db2.gz GLCLVDXYLUQVDA-KBPBESRZSA-N 2 2 256.434 2.654 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966064 175127259 /nfs/dbraw/zinc/12/72/59/175127259.db2.gz HLVQTNWLCIQZPZ-JYJNAYRXSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966064 175127260 /nfs/dbraw/zinc/12/72/60/175127260.db2.gz HLVQTNWLCIQZPZ-JYJNAYRXSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H](C[N@H+](C)C[C@@H]1CCCCO1)C(C)(C)C ZINC000043966557 175127756 /nfs/dbraw/zinc/12/77/56/175127756.db2.gz NKGNMGOBZAMLNJ-KBPBESRZSA-N 2 2 256.434 2.512 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+](C)C[C@@H]1CCCCO1)C(C)(C)C ZINC000043966557 175127758 /nfs/dbraw/zinc/12/77/58/175127758.db2.gz NKGNMGOBZAMLNJ-KBPBESRZSA-N 2 2 256.434 2.512 10 0 CFAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966551 175127844 /nfs/dbraw/zinc/12/78/44/175127844.db2.gz JVNOTKVFBNQZLN-VGWMRTNUSA-N 2 2 268.445 2.654 10 0 CFAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966551 175127845 /nfs/dbraw/zinc/12/78/45/175127845.db2.gz JVNOTKVFBNQZLN-VGWMRTNUSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@@H](CC)[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966701 175127868 /nfs/dbraw/zinc/12/78/68/175127868.db2.gz VZGIHOPVCYKZSI-KKUMJFAQSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@@H](CC)[C@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966701 175127869 /nfs/dbraw/zinc/12/78/69/175127869.db2.gz VZGIHOPVCYKZSI-KKUMJFAQSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H](CC)[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966699 175128144 /nfs/dbraw/zinc/12/81/44/175128144.db2.gz VZGIHOPVCYKZSI-QLFBSQMISA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H](CC)[C@@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966699 175128145 /nfs/dbraw/zinc/12/81/45/175128145.db2.gz VZGIHOPVCYKZSI-QLFBSQMISA-N 2 2 256.434 2.654 10 0 CFAELP CC[NH2+][C@H](C[N@H+](CC)CCOC)c1ccc(C)cc1C ZINC000043968662 175129398 /nfs/dbraw/zinc/12/93/98/175129398.db2.gz ONFAIUZBYZYLFE-QGZVFWFLSA-N 2 2 278.440 2.922 10 0 CFAELP CC[NH2+][C@H](C[N@@H+](CC)CCOC)c1ccc(C)cc1C ZINC000043968662 175129399 /nfs/dbraw/zinc/12/93/99/175129399.db2.gz ONFAIUZBYZYLFE-QGZVFWFLSA-N 2 2 278.440 2.922 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@H](C)[N@H+](CC)CCOC ZINC000043968607 175129536 /nfs/dbraw/zinc/12/95/36/175129536.db2.gz IUVBAVKZEFGJIW-GOEBONIOSA-N 2 2 264.413 2.694 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@H](C)[N@@H+](CC)CCOC ZINC000043968607 175129537 /nfs/dbraw/zinc/12/95/37/175129537.db2.gz IUVBAVKZEFGJIW-GOEBONIOSA-N 2 2 264.413 2.694 10 0 CFAELP CC[NH2+][C@H]1CCCC[C@H]1[N@H+](CC)Cc1ccncc1 ZINC000043968916 175129666 /nfs/dbraw/zinc/12/96/66/175129666.db2.gz CQZGBNOSXVDCMM-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@H]1CCCC[C@H]1[N@@H+](CC)Cc1ccncc1 ZINC000043968916 175129667 /nfs/dbraw/zinc/12/96/67/175129667.db2.gz CQZGBNOSXVDCMM-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@H]1c2ccccc2C[C@H]1[N@H+](C)[C@@H](C)COC ZINC000043969474 175130364 /nfs/dbraw/zinc/13/03/64/175130364.db2.gz YAYTUAJVXNOLIU-XKQJLSEDSA-N 2 2 276.424 2.619 10 0 CFAELP CCC[NH2+][C@H]1c2ccccc2C[C@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969474 175130365 /nfs/dbraw/zinc/13/03/65/175130365.db2.gz YAYTUAJVXNOLIU-XKQJLSEDSA-N 2 2 276.424 2.619 10 0 CFAELP CC[NH2+][C@H](C[N@H+](C)[C@@H](C)COC)c1ccccc1C ZINC000043969234 175130511 /nfs/dbraw/zinc/13/05/11/175130511.db2.gz JKFHZPYTCOMBBB-GOEBONIOSA-N 2 2 264.413 2.612 10 0 CFAELP CC[NH2+][C@H](C[N@@H+](C)[C@@H](C)COC)c1ccccc1C ZINC000043969234 175130512 /nfs/dbraw/zinc/13/05/12/175130512.db2.gz JKFHZPYTCOMBBB-GOEBONIOSA-N 2 2 264.413 2.612 10 0 CFAELP CCc1ccc([C@@H]([NH2+]C)[C@H](C)[N@H+](C)[C@@H](C)COC)cc1 ZINC000043969144 175130547 /nfs/dbraw/zinc/13/05/47/175130547.db2.gz GOLINOUWNYWZRT-ZQIUZPCESA-N 2 2 278.440 2.865 10 0 CFAELP CCc1ccc([C@@H]([NH2+]C)[C@H](C)[N@@H+](C)[C@@H](C)COC)cc1 ZINC000043969144 175130549 /nfs/dbraw/zinc/13/05/49/175130549.db2.gz GOLINOUWNYWZRT-ZQIUZPCESA-N 2 2 278.440 2.865 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@H+](CCOC)[C@@H](C)COC ZINC000043975881 175132882 /nfs/dbraw/zinc/13/28/82/175132882.db2.gz WBJVJJJOQSROIT-HRCADAONSA-N 2 2 288.476 2.527 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@@H+](CCOC)[C@@H](C)COC ZINC000043975881 175132883 /nfs/dbraw/zinc/13/28/83/175132883.db2.gz WBJVJJJOQSROIT-HRCADAONSA-N 2 2 288.476 2.527 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@H+](C)[C@@H](C)CC(C)C ZINC000043973034 175132911 /nfs/dbraw/zinc/13/29/11/175132911.db2.gz PTKOOHJHJXOMTK-ZNMIVQPWSA-N 2 2 256.434 2.510 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+](C)[C@@H](C)CC(C)C ZINC000043973034 175132912 /nfs/dbraw/zinc/13/29/12/175132912.db2.gz PTKOOHJHJXOMTK-ZNMIVQPWSA-N 2 2 256.434 2.510 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)[C@@H](C)C(C)(C)C)OCCO2 ZINC000043979259 175133717 /nfs/dbraw/zinc/13/37/17/175133717.db2.gz IRTYKNPXRPAQGU-KKUMJFAQSA-N 2 2 298.471 2.627 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)[C@@H](C)C(C)(C)C)OCCO2 ZINC000043979259 175133718 /nfs/dbraw/zinc/13/37/18/175133718.db2.gz IRTYKNPXRPAQGU-KKUMJFAQSA-N 2 2 298.471 2.627 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@@H]1n1cc[nH+]c1-c1ccccc1 ZINC000044000258 175138280 /nfs/dbraw/zinc/13/82/80/175138280.db2.gz YRIGHPSZTIPRLB-CVEARBPZSA-N 2 2 285.391 2.880 10 0 CFAELP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000044561683 175204613 /nfs/dbraw/zinc/20/46/13/175204613.db2.gz RRLRFDYKHMTIJR-GOEBONIOSA-N 2 2 276.424 2.787 10 0 CFAELP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000044561683 175204614 /nfs/dbraw/zinc/20/46/14/175204614.db2.gz RRLRFDYKHMTIJR-GOEBONIOSA-N 2 2 276.424 2.787 10 0 CFAELP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000044561440 175204771 /nfs/dbraw/zinc/20/47/71/175204771.db2.gz SAMVZNYASKCRSU-ZBFHGGJFSA-N 2 2 276.424 2.700 10 0 CFAELP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C)cc1 ZINC000044561440 175204773 /nfs/dbraw/zinc/20/47/73/175204773.db2.gz SAMVZNYASKCRSU-ZBFHGGJFSA-N 2 2 276.424 2.700 10 0 CFAELP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C)c1 ZINC000044561355 175204838 /nfs/dbraw/zinc/20/48/38/175204838.db2.gz SOWYUBYWINKYLL-SUMWQHHRSA-N 2 2 289.423 2.780 10 0 CFAELP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C)c1 ZINC000044561355 175204840 /nfs/dbraw/zinc/20/48/40/175204840.db2.gz SOWYUBYWINKYLL-SUMWQHHRSA-N 2 2 289.423 2.780 10 0 CFAELP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000044561616 175205136 /nfs/dbraw/zinc/20/51/36/175205136.db2.gz PRNOGGMGTXRDQE-HIFRSBDPSA-N 2 2 262.397 2.830 10 0 CFAELP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C)cc1 ZINC000044561616 175205138 /nfs/dbraw/zinc/20/51/38/175205138.db2.gz PRNOGGMGTXRDQE-HIFRSBDPSA-N 2 2 262.397 2.830 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747539 175243073 /nfs/dbraw/zinc/24/30/73/175243073.db2.gz ZJIKSEABISWKFK-IRXDYDNUSA-N 2 2 276.424 2.945 10 0 CFAELP [NH3+]C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067482 175300418 /nfs/dbraw/zinc/30/04/18/175300418.db2.gz LAANDCJTSXVZPQ-CVEARBPZSA-N 2 2 259.397 2.736 10 0 CFAELP [NH3+]C[C@@H](c1cccnc1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067482 175300420 /nfs/dbraw/zinc/30/04/20/175300420.db2.gz LAANDCJTSXVZPQ-CVEARBPZSA-N 2 2 259.397 2.736 10 0 CFAELP COc1cc(OC)cc([C@@H](C[NH3+])[N@H+](C)CC(C)(C)C)c1 ZINC000045070504 175301397 /nfs/dbraw/zinc/30/13/97/175301397.db2.gz MBLQEWWJJDBOSY-OAHLLOKOSA-N 2 2 280.412 2.682 10 0 CFAELP COc1cc(OC)cc([C@@H](C[NH3+])[N@@H+](C)CC(C)(C)C)c1 ZINC000045070504 175301399 /nfs/dbraw/zinc/30/13/99/175301399.db2.gz MBLQEWWJJDBOSY-OAHLLOKOSA-N 2 2 280.412 2.682 10 0 CFAELP CCC[NH+]1CCC(CN)([N@@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000045071347 175301524 /nfs/dbraw/zinc/30/15/24/175301524.db2.gz AKQBATSWIPFPIC-QGZVFWFLSA-N 2 2 293.499 2.844 10 0 CFAELP CCC[NH+]1CCC(CN)([N@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000045071347 175301525 /nfs/dbraw/zinc/30/15/25/175301525.db2.gz AKQBATSWIPFPIC-QGZVFWFLSA-N 2 2 293.499 2.844 10 0 CFAELP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000045117946 175311473 /nfs/dbraw/zinc/31/14/73/175311473.db2.gz CTGYPGHHXGSZAO-CVEARBPZSA-N 2 2 258.409 2.692 10 0 CFAELP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000045117946 175311474 /nfs/dbraw/zinc/31/14/74/175311474.db2.gz CTGYPGHHXGSZAO-CVEARBPZSA-N 2 2 258.409 2.692 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@@H+]1CCC[C@@H]1C)[NH2+]C(C)C ZINC000045367960 175363124 /nfs/dbraw/zinc/36/31/24/175363124.db2.gz ASXQWSCVBDBGEQ-HOCLYGCPSA-N 2 2 284.444 2.571 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@H+]1CCC[C@@H]1C)[NH2+]C(C)C ZINC000045367960 175363125 /nfs/dbraw/zinc/36/31/25/175363125.db2.gz ASXQWSCVBDBGEQ-HOCLYGCPSA-N 2 2 284.444 2.571 10 0 CFAELP CC[NH2+][C@@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045376147 175366331 /nfs/dbraw/zinc/36/63/31/175366331.db2.gz JOJRZMKFOLSTAX-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CC[NH2+][C@@](C)(CCC[N@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045376147 175366333 /nfs/dbraw/zinc/36/63/33/175366333.db2.gz JOJRZMKFOLSTAX-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[NH+]1CCCCC1)C(=O)OCC ZINC000045378252 175367746 /nfs/dbraw/zinc/36/77/46/175367746.db2.gz PZSANCCBLSFJMR-INIZCTEOSA-N 2 2 284.444 2.574 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)[NH2+]C ZINC000045379703 175368868 /nfs/dbraw/zinc/36/88/68/175368868.db2.gz VTFFPSHFVWWSLQ-OFQRWUPVSA-N 2 2 284.444 2.571 10 0 CFAELP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](CC)c1ccccc1 ZINC000045379876 175369015 /nfs/dbraw/zinc/36/90/15/175369015.db2.gz LNYCKPTWHGMSAE-KRWDZBQOSA-N 2 2 292.423 2.964 10 0 CFAELP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+](CC)c1ccccc1 ZINC000045379876 175369016 /nfs/dbraw/zinc/36/90/16/175369016.db2.gz LNYCKPTWHGMSAE-KRWDZBQOSA-N 2 2 292.423 2.964 10 0 CFAELP COC(=O)[C@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)[NH2+]C(C)C ZINC000045379752 175369028 /nfs/dbraw/zinc/36/90/28/175369028.db2.gz GILRYWJPMIUPQN-ZOBUZTSGSA-N 2 2 298.471 2.959 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[N@H+](C)CC(C)C)[NH2+]C1CC1 ZINC000045380919 175370294 /nfs/dbraw/zinc/37/02/94/175370294.db2.gz PORJWHPDDNOFCH-QGZVFWFLSA-N 2 2 298.471 2.818 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[N@@H+](C)CC(C)C)[NH2+]C1CC1 ZINC000045380919 175370296 /nfs/dbraw/zinc/37/02/96/175370296.db2.gz PORJWHPDDNOFCH-QGZVFWFLSA-N 2 2 298.471 2.818 10 0 CFAELP CC[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC)C(C)C ZINC000045383731 175370980 /nfs/dbraw/zinc/37/09/80/175370980.db2.gz SNGXXQJGRSWBIE-MRXNPFEDSA-N 2 2 284.444 2.571 10 0 CFAELP CC[N@@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC)C(C)C ZINC000045383731 175370981 /nfs/dbraw/zinc/37/09/81/175370981.db2.gz SNGXXQJGRSWBIE-MRXNPFEDSA-N 2 2 284.444 2.571 10 0 CFAELP CCc1cc(NC2CC[NH2+]CC2)nc(-c2ccccc2)[nH+]1 ZINC000045947107 175387785 /nfs/dbraw/zinc/38/77/85/175387785.db2.gz OHBLVIOFDJFHOL-UHFFFAOYSA-N 2 2 282.391 2.870 10 0 CFAELP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309747 176116757 /nfs/dbraw/zinc/11/67/57/176116757.db2.gz WBLIRMLMLVYDCO-CMPLNLGQSA-N 2 2 270.323 2.643 10 0 CFAELP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309747 176116759 /nfs/dbraw/zinc/11/67/59/176116759.db2.gz WBLIRMLMLVYDCO-CMPLNLGQSA-N 2 2 270.323 2.643 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CCc2ccco2)C1 ZINC000250369919 281069624 /nfs/dbraw/zinc/06/96/24/281069624.db2.gz VMHAGAJDKDVYKD-KGLIPLIRSA-N 2 2 250.386 2.675 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CCc2ccco2)C1 ZINC000250369919 281069627 /nfs/dbraw/zinc/06/96/27/281069627.db2.gz VMHAGAJDKDVYKD-KGLIPLIRSA-N 2 2 250.386 2.675 10 0 CFAELP CC[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccc(OC)cc1 ZINC000396702731 281196994 /nfs/dbraw/zinc/19/69/94/281196994.db2.gz UVPINNXGGRJFHT-KCXAZCMYSA-N 2 2 262.397 2.876 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000171050602 322398656 /nfs/dbraw/zinc/39/86/56/322398656.db2.gz KFYDLJPBAQNPRG-MRXNPFEDSA-N 2 2 272.392 2.536 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000171050602 322398658 /nfs/dbraw/zinc/39/86/58/322398658.db2.gz KFYDLJPBAQNPRG-MRXNPFEDSA-N 2 2 272.392 2.536 10 0 CFAELP Cc1c[nH+]ccc1N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000191980859 324056126 /nfs/dbraw/zinc/05/61/26/324056126.db2.gz KODXDPDIBXIDKF-UHFFFAOYSA-N 2 2 270.380 2.810 10 0 CFAELP CC(C)[NH2+]Cc1nc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cs1 ZINC000052543775 519729218 /nfs/dbraw/zinc/72/92/18/519729218.db2.gz JWSWPGQCPHPJKQ-WCQYABFASA-N 2 2 265.426 2.625 10 0 CFAELP CC(C)[NH2+]Cc1nc(C[N@H+]2C[C@H]3CC[C@@H]2C3)cs1 ZINC000052543775 519729220 /nfs/dbraw/zinc/72/92/20/519729220.db2.gz JWSWPGQCPHPJKQ-WCQYABFASA-N 2 2 265.426 2.625 10 0 CFAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000052382843 519794746 /nfs/dbraw/zinc/79/47/46/519794746.db2.gz BXTAPXLBDDPRIC-CQSZACIVSA-N 2 2 264.438 2.883 10 0 CFAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@H+]1CCc2sccc2C1 ZINC000052382843 519794747 /nfs/dbraw/zinc/79/47/47/519794747.db2.gz BXTAPXLBDDPRIC-CQSZACIVSA-N 2 2 264.438 2.883 10 0 CFAELP CC(C)[C@H]1C[N@H+](CCCc2ccccc2)CCC[NH2+]1 ZINC000062657632 519826671 /nfs/dbraw/zinc/82/66/71/519826671.db2.gz HGCUOCDRXQSEIL-QGZVFWFLSA-N 2 2 260.425 2.939 10 0 CFAELP CC(C)[C@H]1C[N@@H+](CCCc2ccccc2)CCC[NH2+]1 ZINC000062657632 519826672 /nfs/dbraw/zinc/82/66/72/519826672.db2.gz HGCUOCDRXQSEIL-QGZVFWFLSA-N 2 2 260.425 2.939 10 0 CFAELP CCOc1ccc(C[NH2+][C@H](C[NH+](C)C)C(C)C)cc1 ZINC000049195129 521008474 /nfs/dbraw/zinc/00/84/74/521008474.db2.gz OJRGDOLETQQIFK-MRXNPFEDSA-N 2 2 264.413 2.761 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000328516936 521721460 /nfs/dbraw/zinc/72/14/60/521721460.db2.gz PXKMGLUVUIWGOG-JQWIXIFHSA-N 2 2 254.324 2.710 10 0 CFAELP CC(C)(C)C1CC[NH+](Cc2csc(C[NH3+])n2)CC1 ZINC000052373624 518608249 /nfs/dbraw/zinc/60/82/49/518608249.db2.gz LSSDKAXHXANMDN-UHFFFAOYSA-N 2 2 267.442 2.860 10 0 CFAELP CC(C)(C)[NH2+]Cc1occc1C[N@H+]1CCOC(C)(C)C1 ZINC000052481916 518770083 /nfs/dbraw/zinc/77/00/83/518770083.db2.gz GEHMTPAGYGPXLD-UHFFFAOYSA-N 2 2 280.412 2.779 10 0 CFAELP CC(C)(C)[NH2+]Cc1occc1C[N@@H+]1CCOC(C)(C)C1 ZINC000052481916 518770080 /nfs/dbraw/zinc/77/00/80/518770080.db2.gz GEHMTPAGYGPXLD-UHFFFAOYSA-N 2 2 280.412 2.779 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)Cc1ccco1 ZINC000062771672 519342409 /nfs/dbraw/zinc/34/24/09/519342409.db2.gz XQXDHCNXHSUXFZ-ZIAGYGMSSA-N 2 2 252.402 2.777 10 0 CFAELP CC(C)=CC[NH+]1CCC([NH2+][C@@H](CN(C)C)C(C)C)CC1 ZINC000049198769 519426447 /nfs/dbraw/zinc/42/64/47/519426447.db2.gz LYGAZUAUCOOVHU-KRWDZBQOSA-N 2 2 281.488 2.593 10 0 CFAELP CC(C)[NH2+]CC[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418230 519721980 /nfs/dbraw/zinc/72/19/80/519721980.db2.gz NFIKUTRHCHWXLI-HNNXBMFYSA-N 2 2 293.430 2.724 10 0 CFAELP CC(C)[NH2+]C[C@H]1CCC[N@@H+]1CCCOc1ccccc1 ZINC000061815927 519725451 /nfs/dbraw/zinc/72/54/51/519725451.db2.gz QCCVLOUQNCMOKQ-MRXNPFEDSA-N 2 2 276.424 2.918 10 0 CFAELP CC(C)[NH2+]C[C@H]1CCC[N@H+]1CCCOc1ccccc1 ZINC000061815927 519725453 /nfs/dbraw/zinc/72/54/53/519725453.db2.gz QCCVLOUQNCMOKQ-MRXNPFEDSA-N 2 2 276.424 2.918 10 0 CFAELP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)c1 ZINC000049197132 519747278 /nfs/dbraw/zinc/74/72/78/519747278.db2.gz FXOYSZGWYMKESU-DYVFJYSZSA-N 2 2 291.439 2.882 10 0 CFAELP CC(C)C[NH2+]Cc1occc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419940 519748793 /nfs/dbraw/zinc/74/87/93/519748793.db2.gz SQFNQSMWRWOJTI-UHFFFAOYSA-N 3 2 293.455 2.551 10 0 CFAELP CC(C)C[NH2+]Cc1occc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419940 519748794 /nfs/dbraw/zinc/74/87/94/519748794.db2.gz SQFNQSMWRWOJTI-UHFFFAOYSA-N 3 2 293.455 2.551 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000049198950 519793961 /nfs/dbraw/zinc/79/39/61/519793961.db2.gz SCEBVLIDAMJJOS-CZUORRHYSA-N 2 2 276.424 2.858 10 0 CFAELP CCCC1CC[NH+](CCC[C@](C)([NH2+]C)C(=O)OCC)CC1 ZINC000050905773 519900942 /nfs/dbraw/zinc/90/09/42/519900942.db2.gz GNRVJDBCXPGODC-KRWDZBQOSA-N 2 2 298.471 2.820 10 0 CFAELP CCCC1CC[NH+]([C@@H](c2cccnc2)[C@@H](C)[NH3+])CC1 ZINC000050893096 519902806 /nfs/dbraw/zinc/90/28/06/519902806.db2.gz RHWUTLQVOFVCHO-CZUORRHYSA-N 2 2 261.413 2.982 10 0 CFAELP CC[NH2+]C1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000049508876 519909048 /nfs/dbraw/zinc/90/90/48/519909048.db2.gz RMDCJOVSTKRMPU-LBPRGKRZSA-N 2 2 250.361 2.961 10 0 CFAELP CCC[NH2+]CC1(C[NH+]2Cc3ccccc3C2)CCOCC1 ZINC000052182102 519911355 /nfs/dbraw/zinc/91/13/55/519911355.db2.gz IZZLJNJANZXSDX-UHFFFAOYSA-N 2 2 288.435 2.799 10 0 CFAELP CC[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000052443411 519928734 /nfs/dbraw/zinc/92/87/34/519928734.db2.gz NWOUSZLYBAKFJJ-CQSZACIVSA-N 2 2 295.858 2.850 10 0 CFAELP CCC[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(OC)CC1 ZINC000052455490 519935231 /nfs/dbraw/zinc/93/52/31/519935231.db2.gz PNXKLDXNWCFWRQ-QGZVFWFLSA-N 2 2 276.424 2.838 10 0 CFAELP CCC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000053012376 519936546 /nfs/dbraw/zinc/93/65/46/519936546.db2.gz BQJRWXDILFHTJL-CYBMUJFWSA-N 2 2 250.361 2.647 10 0 CFAELP CCC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000053012376 519936552 /nfs/dbraw/zinc/93/65/52/519936552.db2.gz BQJRWXDILFHTJL-CYBMUJFWSA-N 2 2 250.361 2.647 10 0 CFAELP CC[NH2+]C[C@H](C)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443453 519969967 /nfs/dbraw/zinc/96/99/67/519969967.db2.gz BQYZJGJICDRVLH-AWEZNQCLSA-N 2 2 295.858 2.708 10 0 CFAELP CC[NH2+]Cc1nc(C[N@@H+]2CCc3ccccc3C2)cs1 ZINC000052419034 520020604 /nfs/dbraw/zinc/02/06/04/520020604.db2.gz LCTCVWDHHGBSCH-UHFFFAOYSA-N 2 2 287.432 2.811 10 0 CFAELP CC[NH2+]Cc1nc(C[N@H+]2CCc3ccccc3C2)cs1 ZINC000052419034 520020612 /nfs/dbraw/zinc/02/06/12/520020612.db2.gz LCTCVWDHHGBSCH-UHFFFAOYSA-N 2 2 287.432 2.811 10 0 CFAELP CC[N@H+](CC1CC1)[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000069237108 520967045 /nfs/dbraw/zinc/96/70/45/520967045.db2.gz GJXIYFNESNDPGG-IAQYHMDHSA-N 2 2 250.361 2.946 10 0 CFAELP CC[N@@H+](CC1CC1)[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000069237108 520967049 /nfs/dbraw/zinc/96/70/49/520967049.db2.gz GJXIYFNESNDPGG-IAQYHMDHSA-N 2 2 250.361 2.946 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000328516936 521721459 /nfs/dbraw/zinc/72/14/59/521721459.db2.gz PXKMGLUVUIWGOG-JQWIXIFHSA-N 2 2 254.324 2.710 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052203839 521930560 /nfs/dbraw/zinc/93/05/60/521930560.db2.gz YHFFSVGTGMHTFF-KBXCAEBGSA-N 2 2 290.451 2.996 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052203839 521930565 /nfs/dbraw/zinc/93/05/65/521930565.db2.gz YHFFSVGTGMHTFF-KBXCAEBGSA-N 2 2 290.451 2.996 10 0 CFAELP COCCn1c(CCCCCC[NH3+])[nH+]c2ccccc21 ZINC000052125465 522065169 /nfs/dbraw/zinc/06/51/69/522065169.db2.gz LGNWTJFJEMEFPB-UHFFFAOYSA-N 2 2 275.396 2.744 10 0 CFAELP C[NH2+][C@@H]1c2ccccc2C[C@@H]1[NH+]1Cc2ccccc2C1 ZINC000050910892 522401126 /nfs/dbraw/zinc/40/11/26/522401126.db2.gz NISGBDKNCUOQPO-ZWKOTPCHSA-N 2 2 264.372 2.888 10 0 CFAELP C[N@H+](Cc1coc(-c2ccccc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000231464969 523520594 /nfs/dbraw/zinc/52/05/94/523520594.db2.gz AZLYLSRWBZVCFK-INIZCTEOSA-N 2 2 285.391 2.916 10 0 CFAELP C[N@@H+](Cc1coc(-c2ccccc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000231464969 523520604 /nfs/dbraw/zinc/52/06/04/523520604.db2.gz AZLYLSRWBZVCFK-INIZCTEOSA-N 2 2 285.391 2.916 10 0 CFAELP COCC[N@@H+]([C@@H](C[NH3+])c1ccc(F)cc1C)[C@@H](C)C1CC1 ZINC000050579132 523780644 /nfs/dbraw/zinc/78/06/44/523780644.db2.gz KTNXFDHSWJLIGO-GUYCJALGSA-N 2 2 294.414 2.881 10 0 CFAELP COCC[N@H+]([C@@H](C[NH3+])c1ccc(F)cc1C)[C@@H](C)C1CC1 ZINC000050579132 523780647 /nfs/dbraw/zinc/78/06/47/523780647.db2.gz KTNXFDHSWJLIGO-GUYCJALGSA-N 2 2 294.414 2.881 10 0 CFAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000049149538 524318568 /nfs/dbraw/zinc/31/85/68/524318568.db2.gz DDCIVIZDBNHKCP-LSDHHAIUSA-N 2 2 276.424 2.787 10 0 CFAELP C[C@H](C[NH2+]C(C)(C)C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000052417303 524475799 /nfs/dbraw/zinc/47/57/99/524475799.db2.gz FHGWSMXLPPDICP-MRXNPFEDSA-N 2 2 289.467 2.833 10 0 CFAELP C[C@@H](CC[NH+](C)C)N[C@@H](c1cccs1)c1[nH+]ccn1C ZINC000049554047 524479401 /nfs/dbraw/zinc/47/94/01/524479401.db2.gz KTUHBXOOEBHJQD-JSGCOSHPSA-N 2 2 292.452 2.501 10 0 CFAELP COc1ccccc1C[C@@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C ZINC000049198614 524501700 /nfs/dbraw/zinc/50/17/00/524501700.db2.gz BFZBDGSSQRHXLK-ZBFHGGJFSA-N 2 2 278.440 2.802 10 0 CFAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[NH+]1CCC(C)CC1 ZINC000050578052 525003479 /nfs/dbraw/zinc/00/34/79/525003479.db2.gz TWUGMFMLXIWWLY-OAHLLOKOSA-N 2 2 250.361 2.866 10 0 CFAELP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)s1 ZINC000311086202 525497090 /nfs/dbraw/zinc/49/70/90/525497090.db2.gz XSPYEJAEIOJVOV-KOLCDFICSA-N 2 2 288.844 2.507 10 0 CFAELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)s1 ZINC000311086202 525497100 /nfs/dbraw/zinc/49/71/00/525497100.db2.gz XSPYEJAEIOJVOV-KOLCDFICSA-N 2 2 288.844 2.507 10 0 CFAELP CSC[C@@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000069434775 525623624 /nfs/dbraw/zinc/62/36/24/525623624.db2.gz UADDOCHYCWCERW-GOEBONIOSA-N 2 2 278.465 2.850 10 0 CFAELP CSC[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000069434775 525623633 /nfs/dbraw/zinc/62/36/33/525623633.db2.gz UADDOCHYCWCERW-GOEBONIOSA-N 2 2 278.465 2.850 10 0 CFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000192180648 526077280 /nfs/dbraw/zinc/07/72/80/526077280.db2.gz WGWFUVMDNOHLHX-RHSMWYFYSA-N 2 2 285.391 2.838 10 0 CFAELP C[C@@H](c1cccs1)[N@H+](C)Cc1csc(C[NH3+])n1 ZINC000052506764 526146400 /nfs/dbraw/zinc/14/64/00/526146400.db2.gz WRTHTLTUJBCZGE-VIFPVBQESA-N 2 2 267.423 2.856 10 0 CFAELP C[C@@H](c1cccs1)[N@@H+](C)Cc1csc(C[NH3+])n1 ZINC000052506764 526146407 /nfs/dbraw/zinc/14/64/07/526146407.db2.gz WRTHTLTUJBCZGE-VIFPVBQESA-N 2 2 267.423 2.856 10 0 CFAELP Cc1oc(C[N@@H+]2CCO[C@H](C)C2)cc1C[NH2+]C(C)(C)C ZINC000052382371 526770857 /nfs/dbraw/zinc/77/08/57/526770857.db2.gz YCKKEEVCGOZJJS-GFCCVEGCSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1oc(C[N@H+]2CCO[C@H](C)C2)cc1C[NH2+]C(C)(C)C ZINC000052382371 526770861 /nfs/dbraw/zinc/77/08/61/526770861.db2.gz YCKKEEVCGOZJJS-GFCCVEGCSA-N 2 2 280.412 2.697 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC000054628546 527147205 /nfs/dbraw/zinc/14/72/05/527147205.db2.gz RDLWJQUYLVQBEX-YOGCLGLASA-N 2 2 268.763 2.933 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC000054628546 527147210 /nfs/dbraw/zinc/14/72/10/527147210.db2.gz RDLWJQUYLVQBEX-YOGCLGLASA-N 2 2 268.763 2.933 10 0 CFAELP [NH3+]CCc1nccn1-c1cc[nH+]c2cc(Cl)ccc21 ZINC000052304387 527199076 /nfs/dbraw/zinc/19/90/76/527199076.db2.gz XTESHGUEXFVVCR-UHFFFAOYSA-N 2 2 272.739 2.575 10 0 CFAELP Nc1cccc(-c2[nH+]ccn2CCC[NH+]2CCCC2)c1 ZINC000049332784 527512157 /nfs/dbraw/zinc/51/21/57/527512157.db2.gz IMKDCNGSRPBMCX-UHFFFAOYSA-N 2 2 270.380 2.618 10 0 CFAELP CC(C)[C@@H]1C[NH2+][C@@H](C)CN1c1ccc([NH+](C)C)cc1 ZINC000083449880 535264268 /nfs/dbraw/zinc/26/42/68/535264268.db2.gz VAXSTPMJENLWJX-BBRMVZONSA-N 2 2 261.413 2.575 10 0 CFAELP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000261553126 618102786 /nfs/dbraw/zinc/10/27/86/618102786.db2.gz ADVUUPVUAFVILL-BXKDBHETSA-N 2 2 258.287 2.627 10 0 CFAELP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000261553126 618102788 /nfs/dbraw/zinc/10/27/88/618102788.db2.gz ADVUUPVUAFVILL-BXKDBHETSA-N 2 2 258.287 2.627 10 0 CFAELP CCc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000252955642 618214296 /nfs/dbraw/zinc/21/42/96/618214296.db2.gz IXVYOHKRGDGMKX-KEYYUXOJSA-N 2 2 276.424 2.667 10 0 CFAELP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(Cl)s1 ZINC000399099156 619085992 /nfs/dbraw/zinc/08/59/92/619085992.db2.gz ZPGVIYIJEASLHV-SNVBAGLBSA-N 2 2 288.844 2.509 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3F)C[C@@H]12 ZINC000261557689 619170089 /nfs/dbraw/zinc/17/00/89/619170089.db2.gz CUCIQCVBDPKKHG-MRCXROJRSA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3F)C[C@@H]12 ZINC000261557689 619170092 /nfs/dbraw/zinc/17/00/92/619170092.db2.gz CUCIQCVBDPKKHG-MRCXROJRSA-N 2 2 268.763 2.648 10 0 CFAELP c1ccc2sc(CCC[NH2+][C@H]3CCC[NH2+]C3)nc2c1 ZINC000067955826 624966834 /nfs/dbraw/zinc/96/68/34/624966834.db2.gz MBONCRXYVKPDEP-LBPRGKRZSA-N 2 2 275.421 2.571 10 0 CFAELP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000066665518 346772905 /nfs/dbraw/zinc/77/29/05/346772905.db2.gz JMLNPZFLJWGQNY-SOLBZPMBSA-N 2 2 290.451 2.742 10 0 CFAELP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000066665518 346772908 /nfs/dbraw/zinc/77/29/08/346772908.db2.gz JMLNPZFLJWGQNY-SOLBZPMBSA-N 2 2 290.451 2.742 10 0 CFAELP C[C@@H]1CCC[C@H](C)[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000066665518 346772911 /nfs/dbraw/zinc/77/29/11/346772911.db2.gz JMLNPZFLJWGQNY-SOLBZPMBSA-N 2 2 290.451 2.742 10 0 CFAELP C[C@@H]1CCC[C@H](C)[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000066665518 346772912 /nfs/dbraw/zinc/77/29/12/346772912.db2.gz JMLNPZFLJWGQNY-SOLBZPMBSA-N 2 2 290.451 2.742 10 0 CFAELP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000080655934 347372839 /nfs/dbraw/zinc/37/28/39/347372839.db2.gz JMLNPZFLJWGQNY-JZXOWHBKSA-N 2 2 290.451 2.742 10 0 CFAELP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000080655934 347372841 /nfs/dbraw/zinc/37/28/41/347372841.db2.gz JMLNPZFLJWGQNY-JZXOWHBKSA-N 2 2 290.451 2.742 10 0 CFAELP C[C@@H]1CCC[C@H](C)[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000080655934 347372842 /nfs/dbraw/zinc/37/28/42/347372842.db2.gz JMLNPZFLJWGQNY-JZXOWHBKSA-N 2 2 290.451 2.742 10 0 CFAELP C[C@@H]1CCC[C@H](C)[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000080655934 347372845 /nfs/dbraw/zinc/37/28/45/347372845.db2.gz JMLNPZFLJWGQNY-JZXOWHBKSA-N 2 2 290.451 2.742 10 0 CFAELP CC[NH2+][C@@]1(c2nc(CC)c(C)s2)CCC[N@H+](C)CC1 ZINC000086833666 179350705 /nfs/dbraw/zinc/35/07/05/179350705.db2.gz OKBJMNFDEVJEMW-HNNXBMFYSA-N 2 2 281.469 2.934 10 0 CFAELP CC[NH2+][C@@]1(c2nc(CC)c(C)s2)CCC[N@@H+](C)CC1 ZINC000086833666 179350706 /nfs/dbraw/zinc/35/07/06/179350706.db2.gz OKBJMNFDEVJEMW-HNNXBMFYSA-N 2 2 281.469 2.934 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000086836916 179351635 /nfs/dbraw/zinc/35/16/35/179351635.db2.gz QBWPZBSLHZUUIB-SJORKVTESA-N 3 2 281.488 2.571 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000086836916 179351636 /nfs/dbraw/zinc/35/16/36/179351636.db2.gz QBWPZBSLHZUUIB-SJORKVTESA-N 3 2 281.488 2.571 10 0 CFAELP CC[N@@H+]1CCC[C@@]([NH2+]C2CC2)(c2nccs2)CC1 ZINC000086851648 179358993 /nfs/dbraw/zinc/35/89/93/179358993.db2.gz ONIZBRUEQJKJME-AWEZNQCLSA-N 2 2 265.426 2.596 10 0 CFAELP CC[N@H+]1CCC[C@@]([NH2+]C2CC2)(c2nccs2)CC1 ZINC000086851648 179358995 /nfs/dbraw/zinc/35/89/95/179358995.db2.gz ONIZBRUEQJKJME-AWEZNQCLSA-N 2 2 265.426 2.596 10 0 CFAELP CC[N@@H+]1CCC[C@]([NH2+]C)(c2nc3c(s2)CCC3)CC1 ZINC000086851449 179359144 /nfs/dbraw/zinc/35/91/44/179359144.db2.gz STZCXQMAQOOWMG-OAHLLOKOSA-N 2 2 279.453 2.552 10 0 CFAELP CC[N@H+]1CCC[C@]([NH2+]C)(c2nc3c(s2)CCC3)CC1 ZINC000086851449 179359145 /nfs/dbraw/zinc/35/91/45/179359145.db2.gz STZCXQMAQOOWMG-OAHLLOKOSA-N 2 2 279.453 2.552 10 0 CFAELP C[C@@H]1[C@@H]([NH2+]C[C@H](O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000309731537 348406857 /nfs/dbraw/zinc/40/68/57/348406857.db2.gz PILNQKRHLNLNRZ-PVAVHDDUSA-N 2 2 290.451 2.646 10 0 CFAELP C[C@@H]1[C@@H]([NH2+]C[C@H](O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000309731537 348406861 /nfs/dbraw/zinc/40/68/61/348406861.db2.gz PILNQKRHLNLNRZ-PVAVHDDUSA-N 2 2 290.451 2.646 10 0 CFAELP [NH3+][C@@]12Cc3ccccc3[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000584605727 348688242 /nfs/dbraw/zinc/68/82/42/348688242.db2.gz DDVSAHGGRSVPRQ-QZTJIDSGSA-N 2 2 264.372 2.540 10 0 CFAELP [NH3+][C@@]12Cc3ccccc3[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000584605727 348688243 /nfs/dbraw/zinc/68/82/43/348688243.db2.gz DDVSAHGGRSVPRQ-QZTJIDSGSA-N 2 2 264.372 2.540 10 0 CFAELP [NH3+]CCNc1cc(Oc2cccc(Cl)c2)cc[nH+]1 ZINC000584614457 348689999 /nfs/dbraw/zinc/68/99/99/348689999.db2.gz OWELKTQCEMZUTJ-UHFFFAOYSA-N 2 2 263.728 2.898 10 0 CFAELP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@H](O)C2)n1-c1ccccc1 ZINC000092128841 539672779 /nfs/dbraw/zinc/67/27/79/539672779.db2.gz BFCKNCZWUFPHSJ-YOEHRIQHSA-N 2 2 285.391 2.574 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000133038445 539801480 /nfs/dbraw/zinc/80/14/80/539801480.db2.gz JVRBRBVJKDJQGZ-GOEBONIOSA-N 2 2 262.372 2.887 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000133038445 539801473 /nfs/dbraw/zinc/80/14/73/539801473.db2.gz JVRBRBVJKDJQGZ-GOEBONIOSA-N 2 2 262.372 2.887 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000122950848 187061430 /nfs/dbraw/zinc/06/14/30/187061430.db2.gz WDGQSRSPWAGUNI-OAHLLOKOSA-N 2 2 272.396 2.621 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccn2C)C1 ZINC000122950848 187061431 /nfs/dbraw/zinc/06/14/31/187061431.db2.gz WDGQSRSPWAGUNI-OAHLLOKOSA-N 2 2 272.396 2.621 10 0 CFAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cccc(Cl)c2)CC1 ZINC000616628707 352391094 /nfs/dbraw/zinc/39/10/94/352391094.db2.gz POCKHMRRKSBWAJ-LBPRGKRZSA-N 2 2 252.789 2.868 10 0 CFAELP [NH3+]CC[N@H+]1CCC[C@H](c2cccc(Cl)c2)CC1 ZINC000616628707 352391100 /nfs/dbraw/zinc/39/11/00/352391100.db2.gz POCKHMRRKSBWAJ-LBPRGKRZSA-N 2 2 252.789 2.868 10 0 CFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000154078305 188121560 /nfs/dbraw/zinc/12/15/60/188121560.db2.gz JDLVSMIWPSODEG-PBHICJAKSA-N 2 2 286.419 2.781 10 0 CFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000154078305 188121562 /nfs/dbraw/zinc/12/15/62/188121562.db2.gz JDLVSMIWPSODEG-PBHICJAKSA-N 2 2 286.419 2.781 10 0 CFAELP Cc1cc([C@H]2C[C@H]([NH3+])CC[N@H+]2C)ccc1Br ZINC000675055509 540636765 /nfs/dbraw/zinc/63/67/65/540636765.db2.gz UONNVDJXWQJSCH-DGCLKSJQSA-N 2 2 283.213 2.852 10 0 CFAELP Cc1cc([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)ccc1Br ZINC000675055509 540636768 /nfs/dbraw/zinc/63/67/68/540636768.db2.gz UONNVDJXWQJSCH-DGCLKSJQSA-N 2 2 283.213 2.852 10 0 CFAELP C[C@H]1[NH2+]Cc2c3c(sc2-n2cccc21)C[N@@H+](C)CC3 ZINC000049454572 291195131 /nfs/dbraw/zinc/19/51/31/291195131.db2.gz HBVZFBGGUSCHSC-SNVBAGLBSA-N 2 2 273.405 2.691 10 0 CFAELP C[C@H]1[NH2+]Cc2c3c(sc2-n2cccc21)C[N@H+](C)CC3 ZINC000049454572 291195132 /nfs/dbraw/zinc/19/51/32/291195132.db2.gz HBVZFBGGUSCHSC-SNVBAGLBSA-N 2 2 273.405 2.691 10 0 CFAELP [NH3+]C[C@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000090804102 283513434 /nfs/dbraw/zinc/51/34/34/283513434.db2.gz KAJHWACJZWVOFT-SCZZXKLOSA-N 2 2 259.275 2.640 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@](C)(O)c1ccccc1 ZINC000178317477 189107193 /nfs/dbraw/zinc/10/71/93/189107193.db2.gz QSLCMCPBBYSASY-MSOLQXFVSA-N 2 2 299.418 2.564 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@](C)(O)c1ccccc1 ZINC000178317477 189107194 /nfs/dbraw/zinc/10/71/94/189107194.db2.gz QSLCMCPBBYSASY-MSOLQXFVSA-N 2 2 299.418 2.564 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000178287141 189103346 /nfs/dbraw/zinc/10/33/46/189103346.db2.gz JMCYTEMSRBBCBG-MRXNPFEDSA-N 2 2 273.355 2.995 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000178287141 189103347 /nfs/dbraw/zinc/10/33/47/189103347.db2.gz JMCYTEMSRBBCBG-MRXNPFEDSA-N 2 2 273.355 2.995 10 0 CFAELP CC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)C ZINC000180574668 189262893 /nfs/dbraw/zinc/26/28/93/189262893.db2.gz WJNFBMZHFALNQI-KBPBESRZSA-N 2 2 291.443 2.511 10 0 CFAELP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000180572533 189262946 /nfs/dbraw/zinc/26/29/46/189262946.db2.gz MHBYAJYNFHUXME-IHRRRGAJSA-N 2 2 291.443 2.511 10 0 CFAELP Cc1cnc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000180503780 189259338 /nfs/dbraw/zinc/25/93/38/189259338.db2.gz YSQRTELQDHFPEK-ZDUSSCGKSA-N 2 2 288.420 2.781 10 0 CFAELP Cc1cnc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000180503780 189259339 /nfs/dbraw/zinc/25/93/39/189259339.db2.gz YSQRTELQDHFPEK-ZDUSSCGKSA-N 2 2 288.420 2.781 10 0 CFAELP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000311021934 541026835 /nfs/dbraw/zinc/02/68/35/541026835.db2.gz RBWGJQSHGSMCPT-WDEREUQCSA-N 2 2 290.860 2.753 10 0 CFAELP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000311021934 541026839 /nfs/dbraw/zinc/02/68/39/541026839.db2.gz RBWGJQSHGSMCPT-WDEREUQCSA-N 2 2 290.860 2.753 10 0 CFAELP Cc1cc([C@H]([NH3+])C[NH3+])cc(C)c1OCc1ccccc1 ZINC000044470281 373004358 /nfs/dbraw/zinc/00/43/58/373004358.db2.gz OXGPMIYQHJDULH-MRXNPFEDSA-N 2 2 270.376 2.841 10 0 CFAELP COCC[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000061374740 373715330 /nfs/dbraw/zinc/71/53/30/373715330.db2.gz AWJIPGLKNXAMMT-HRCADAONSA-N 2 2 270.461 2.615 10 0 CFAELP COCC[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000061374740 373715337 /nfs/dbraw/zinc/71/53/37/373715337.db2.gz AWJIPGLKNXAMMT-HRCADAONSA-N 2 2 270.461 2.615 10 0 CFAELP CC(C)c1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccccc2)[nH+]1 ZINC000070455773 374179113 /nfs/dbraw/zinc/17/91/13/374179113.db2.gz RXLJHGTYPFGTSZ-AWEZNQCLSA-N 2 2 282.391 2.804 10 0 CFAELP CC[C@@H]1CN(c2[nH+]ccc3ccccc32)CC[C@@H]1[NH3+] ZINC000168737066 379094418 /nfs/dbraw/zinc/09/44/18/379094418.db2.gz MMDHELPYFFXEJH-DOMZBBRYSA-N 2 2 255.365 2.798 10 0 CFAELP CC(C)[N@H+]1C[C@H](Nc2cc[nH+]cc2Cl)[C@@H](C)C1 ZINC000176798494 380274210 /nfs/dbraw/zinc/27/42/10/380274210.db2.gz OBVKXOJEAKLVFU-GWCFXTLKSA-N 2 2 253.777 2.876 10 0 CFAELP CC(C)[N@@H+]1C[C@H](Nc2cc[nH+]cc2Cl)[C@@H](C)C1 ZINC000176798494 380274217 /nfs/dbraw/zinc/27/42/17/380274217.db2.gz OBVKXOJEAKLVFU-GWCFXTLKSA-N 2 2 253.777 2.876 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccncc1Cl ZINC000178331880 380438374 /nfs/dbraw/zinc/43/83/74/380438374.db2.gz SVNAXMYOTFCMCE-AWEZNQCLSA-N 2 2 290.798 2.905 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccncc1Cl ZINC000178331880 380438375 /nfs/dbraw/zinc/43/83/75/380438375.db2.gz SVNAXMYOTFCMCE-AWEZNQCLSA-N 2 2 290.798 2.905 10 0 CFAELP C[C@H]([NH2+]Cc1ccsc1Br)[C@@H]1CC[NH2+]C1 ZINC000400730026 380863919 /nfs/dbraw/zinc/86/39/19/380863919.db2.gz QIAORUKOPBJMQE-DTWKUNHWSA-N 2 2 289.242 2.598 10 0 CFAELP CCO[C@@H]1C[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C12CCCC2 ZINC000183191818 381232190 /nfs/dbraw/zinc/23/21/90/381232190.db2.gz WQZFMYUGSAVYJS-HZPDHXFCSA-N 2 2 291.439 2.943 10 0 CFAELP CCO[C@@H]1C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C12CCCC2 ZINC000183191818 381232193 /nfs/dbraw/zinc/23/21/93/381232193.db2.gz WQZFMYUGSAVYJS-HZPDHXFCSA-N 2 2 291.439 2.943 10 0 CFAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H](O)C(C)(C)C ZINC000343720383 381905735 /nfs/dbraw/zinc/90/57/35/381905735.db2.gz VCNDKYZIGSEETR-INIZCTEOSA-N 2 2 292.467 2.894 10 0 CFAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H](O)C(C)(C)C ZINC000343720383 381905744 /nfs/dbraw/zinc/90/57/44/381905744.db2.gz VCNDKYZIGSEETR-INIZCTEOSA-N 2 2 292.467 2.894 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000381181873 382518062 /nfs/dbraw/zinc/51/80/62/382518062.db2.gz QENRBJVMTOSWAG-ZNMIVQPWSA-N 2 2 267.376 2.717 10 0 CFAELP [NH3+]C[C@@H]1CC[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000382453652 382530775 /nfs/dbraw/zinc/53/07/75/382530775.db2.gz HOMSDYRNVIBZOM-SCZZXKLOSA-N 2 2 259.275 2.640 10 0 CFAELP Fc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000189315575 382589983 /nfs/dbraw/zinc/58/99/83/382589983.db2.gz NQHXOPAYUCETGK-CQSZACIVSA-N 2 2 286.354 2.550 10 0 CFAELP Fc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000189315575 382589989 /nfs/dbraw/zinc/58/99/89/382589989.db2.gz NQHXOPAYUCETGK-CQSZACIVSA-N 2 2 286.354 2.550 10 0 CFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC2CC2)C1 ZINC000190457782 382669024 /nfs/dbraw/zinc/66/90/24/382669024.db2.gz LQTGUBACGQNOTL-AWEZNQCLSA-N 2 2 279.453 2.615 10 0 CFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC2CC2)C1 ZINC000190457782 382669025 /nfs/dbraw/zinc/66/90/25/382669025.db2.gz LQTGUBACGQNOTL-AWEZNQCLSA-N 2 2 279.453 2.615 10 0 CFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000190457782 382669026 /nfs/dbraw/zinc/66/90/26/382669026.db2.gz LQTGUBACGQNOTL-AWEZNQCLSA-N 2 2 279.453 2.615 10 0 CFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000190457782 382669027 /nfs/dbraw/zinc/66/90/27/382669027.db2.gz LQTGUBACGQNOTL-AWEZNQCLSA-N 2 2 279.453 2.615 10 0 CFAELP CCn1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000224116008 382809251 /nfs/dbraw/zinc/80/92/51/382809251.db2.gz LGONFASPXPZBFD-HUBLWGQQSA-N 2 2 278.444 2.653 10 0 CFAELP CCn1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000224116008 382809253 /nfs/dbraw/zinc/80/92/53/382809253.db2.gz LGONFASPXPZBFD-HUBLWGQQSA-N 2 2 278.444 2.653 10 0 CFAELP C[NH+](C)C[C@H]([NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000224297970 382810307 /nfs/dbraw/zinc/81/03/07/382810307.db2.gz JGAZJRZLVKEBQC-HIFRSBDPSA-N 2 2 264.438 2.632 10 0 CFAELP CCN(CC)c1ccc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000584463842 383104984 /nfs/dbraw/zinc/10/49/84/383104984.db2.gz JIKCJGMETSQSFC-UONOGXRCSA-N 2 2 276.428 2.728 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(OC)cc3C2)C1 ZINC000252705374 383428787 /nfs/dbraw/zinc/42/87/87/383428787.db2.gz QBFOTLINVRUEQU-IRXDYDNUSA-N 2 2 288.435 2.626 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(OC)cc3C2)C1 ZINC000252705374 383428793 /nfs/dbraw/zinc/42/87/93/383428793.db2.gz QBFOTLINVRUEQU-IRXDYDNUSA-N 2 2 288.435 2.626 10 0 CFAELP C[C@@H]1[C@@H]([NH2+]C2CCC([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000261539083 383508226 /nfs/dbraw/zinc/50/82/26/383508226.db2.gz BMPKSIQQRTZZEJ-LTDKPHRXSA-N 3 2 287.451 2.509 10 0 CFAELP C[C@@H]1[C@@H]([NH2+]C2CCC([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000261539083 383508236 /nfs/dbraw/zinc/50/82/36/383508236.db2.gz BMPKSIQQRTZZEJ-LTDKPHRXSA-N 3 2 287.451 2.509 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3F)C[C@H]12 ZINC000261553333 383509436 /nfs/dbraw/zinc/50/94/36/383509436.db2.gz ADVWOGHVUPRFNT-XHVZSJERSA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@H]12 ZINC000261553333 383509443 /nfs/dbraw/zinc/50/94/43/383509443.db2.gz ADVWOGHVUPRFNT-XHVZSJERSA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@H]12 ZINC000261558785 383511357 /nfs/dbraw/zinc/51/13/57/383511357.db2.gz DJOFEZHKRIZWTP-PKFCDNJMSA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@H]12 ZINC000261558785 383511363 /nfs/dbraw/zinc/51/13/63/383511363.db2.gz DJOFEZHKRIZWTP-PKFCDNJMSA-N 2 2 268.763 2.648 10 0 CFAELP CC[N@H+](Cc1nccn1-c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000261961107 383587538 /nfs/dbraw/zinc/58/75/38/383587538.db2.gz PGNCODAXINMLFZ-MRXNPFEDSA-N 2 2 298.434 2.836 10 0 CFAELP CC[N@@H+](Cc1nccn1-c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000261961107 383587541 /nfs/dbraw/zinc/58/75/41/383587541.db2.gz PGNCODAXINMLFZ-MRXNPFEDSA-N 2 2 298.434 2.836 10 0 CFAELP Cc1nc2ccc(C[N@@H+]3CCCC[C@@H]3C[NH3+])cc2s1 ZINC000262048592 383599650 /nfs/dbraw/zinc/59/96/50/383599650.db2.gz ZHHLGYSBBFGLLH-CYBMUJFWSA-N 2 2 275.421 2.918 10 0 CFAELP Cc1nc2ccc(C[N@H+]3CCCC[C@@H]3C[NH3+])cc2s1 ZINC000262048592 383599654 /nfs/dbraw/zinc/59/96/54/383599654.db2.gz ZHHLGYSBBFGLLH-CYBMUJFWSA-N 2 2 275.421 2.918 10 0 CFAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000531706419 383908234 /nfs/dbraw/zinc/90/82/34/383908234.db2.gz VINDJUXLQSFONZ-XOKHGSTOSA-N 2 2 258.409 2.994 10 0 CFAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000531706419 383908241 /nfs/dbraw/zinc/90/82/41/383908241.db2.gz VINDJUXLQSFONZ-XOKHGSTOSA-N 2 2 258.409 2.994 10 0 CFAELP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1Br ZINC000422693874 533532293 /nfs/dbraw/zinc/53/22/93/533532293.db2.gz MWIYWNKOVMBDGO-NXEZZACHSA-N 2 2 283.213 2.708 10 0 CFAELP C[N@H+](Cc1cn2cc(Cl)ccc2n1)[C@H]1CCC[NH2+]CC1 ZINC000231461555 393781776 /nfs/dbraw/zinc/78/17/76/393781776.db2.gz RYHFYJLIQFUOAM-AWEZNQCLSA-N 2 2 292.814 2.562 10 0 CFAELP C[N@@H+](Cc1cn2cc(Cl)ccc2n1)[C@H]1CCC[NH2+]CC1 ZINC000231461555 393781780 /nfs/dbraw/zinc/78/17/80/393781780.db2.gz RYHFYJLIQFUOAM-AWEZNQCLSA-N 2 2 292.814 2.562 10 0 CFAELP CC[NH+](CC)CCC[N@H+]1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000246217181 393854790 /nfs/dbraw/zinc/85/47/90/393854790.db2.gz POCXUTRAJOKUFM-PMPSAXMXSA-N 2 2 296.455 2.524 10 0 CFAELP CC[NH+](CC)CCC[N@@H+]1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000246217181 393854793 /nfs/dbraw/zinc/85/47/93/393854793.db2.gz POCXUTRAJOKUFM-PMPSAXMXSA-N 2 2 296.455 2.524 10 0 CFAELP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CC[C@@H]3CCCO3)C2)cc1 ZINC000038096042 543034255 /nfs/dbraw/zinc/03/42/55/543034255.db2.gz ZMUJCBBZEBNJFM-MSOLQXFVSA-N 2 2 288.435 2.810 10 0 CFAELP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC[C@@H]3CCCO3)C2)cc1 ZINC000038096042 543034258 /nfs/dbraw/zinc/03/42/58/543034258.db2.gz ZMUJCBBZEBNJFM-MSOLQXFVSA-N 2 2 288.435 2.810 10 0 CFAELP Cc1cc2ccccc2[nH+]c1NCCC1(C[NH3+])CC1 ZINC000395861021 397554185 /nfs/dbraw/zinc/55/41/85/397554185.db2.gz SNQOBNZUYAWLQE-UHFFFAOYSA-N 2 2 255.365 2.506 10 0 CFAELP Cc1c[nH+]ccc1CC[NH2+]C(C)(C)c1nccs1 ZINC000397467493 397557575 /nfs/dbraw/zinc/55/75/75/397557575.db2.gz NMDOGKFTACWVFE-UHFFFAOYSA-N 2 2 261.394 2.914 10 0 CFAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000390714596 397544010 /nfs/dbraw/zinc/54/40/10/397544010.db2.gz BUHRZAPFZNQGQL-GOEBONIOSA-N 2 2 278.440 2.504 10 0 CFAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000390714596 397544015 /nfs/dbraw/zinc/54/40/15/397544015.db2.gz BUHRZAPFZNQGQL-GOEBONIOSA-N 2 2 278.440 2.504 10 0 CFAELP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(F)c(F)c1 ZINC000657286579 413396481 /nfs/dbraw/zinc/39/64/81/413396481.db2.gz PRYZVBQFMDUKTD-SNVBAGLBSA-N 2 2 277.318 2.958 10 0 CFAELP C[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226527 171090842 /nfs/dbraw/zinc/09/08/42/171090842.db2.gz MUDCYRXIYGKOAN-CYBMUJFWSA-N 2 2 283.213 2.791 10 0 CFAELP C[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226527 171090843 /nfs/dbraw/zinc/09/08/43/171090843.db2.gz MUDCYRXIYGKOAN-CYBMUJFWSA-N 2 2 283.213 2.791 10 0 CFAELP CCCCCC[C@@](C)(C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020362571 171161554 /nfs/dbraw/zinc/16/15/54/171161554.db2.gz WYOFIUFFSPGFRM-ZNMIVQPWSA-N 2 2 256.434 2.783 10 0 CFAELP CCCCCC[C@@](C)(C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020362571 171161555 /nfs/dbraw/zinc/16/15/55/171161555.db2.gz WYOFIUFFSPGFRM-ZNMIVQPWSA-N 2 2 256.434 2.783 10 0 CFAELP CC(C)c1ccc(OC[C@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000020400566 171181714 /nfs/dbraw/zinc/18/17/14/171181714.db2.gz RMDNSFHUIGKEBU-HNNXBMFYSA-N 2 2 262.397 2.612 10 0 CFAELP CC[NH+](CC)[C@H](C[NH3+])c1ccc(OC)c(OC(F)F)c1 ZINC000022162065 171364200 /nfs/dbraw/zinc/36/42/00/171364200.db2.gz AQJZSFORYROBRS-LLVKDONJSA-N 2 2 288.338 2.638 10 0 CFAELP CC(C)[N@H+](C)[C@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000022165180 171365586 /nfs/dbraw/zinc/36/55/86/171365586.db2.gz XZUHWEPPUPUBBD-LLVKDONJSA-N 2 2 276.302 2.925 10 0 CFAELP CC(C)[N@@H+](C)[C@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000022165180 171365588 /nfs/dbraw/zinc/36/55/88/171365588.db2.gz XZUHWEPPUPUBBD-LLVKDONJSA-N 2 2 276.302 2.925 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[N@H+](C)C2CCCCC2)c1OC ZINC000022168995 171367190 /nfs/dbraw/zinc/36/71/90/171367190.db2.gz BTHVWTRVJXJKFY-OAHLLOKOSA-N 2 2 292.423 2.968 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[N@@H+](C)C2CCCCC2)c1OC ZINC000022168995 171367191 /nfs/dbraw/zinc/36/71/91/171367191.db2.gz BTHVWTRVJXJKFY-OAHLLOKOSA-N 2 2 292.423 2.968 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+](C)C2CCCCC2)cc1OC ZINC000022218634 171376574 /nfs/dbraw/zinc/37/65/74/171376574.db2.gz UESGEUIQEUOCOZ-HNNXBMFYSA-N 2 2 292.423 2.968 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)C2CCCCC2)cc1OC ZINC000022218634 171376575 /nfs/dbraw/zinc/37/65/75/171376575.db2.gz UESGEUIQEUOCOZ-HNNXBMFYSA-N 2 2 292.423 2.968 10 0 CFAELP CC[NH+](CC)[C@@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000022219510 171377416 /nfs/dbraw/zinc/37/74/16/171377416.db2.gz MDFBKVRNXNPMBI-LBPRGKRZSA-N 2 2 276.302 2.927 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cccc(Br)c1 ZINC000035503744 172237220 /nfs/dbraw/zinc/23/72/20/172237220.db2.gz JOBAZUFCIFXVMG-NSHDSACASA-N 2 2 280.169 2.675 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)Cc1ccc(Br)cc1 ZINC000035504078 172237546 /nfs/dbraw/zinc/23/75/46/172237546.db2.gz KQMHOSGOWCDJMS-GFCCVEGCSA-N 2 2 294.196 2.545 10 0 CFAELP CC[C@@H](C)C[N@H+](C)[C@@H](C[NH3+])c1ccccc1OC ZINC000037172614 173006397 /nfs/dbraw/zinc/00/63/97/173006397.db2.gz YIYBVUWECTVVSJ-OCCSQVGLSA-N 2 2 250.386 2.673 10 0 CFAELP CC[C@@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1ccccc1OC ZINC000037172614 173006399 /nfs/dbraw/zinc/00/63/99/173006399.db2.gz YIYBVUWECTVVSJ-OCCSQVGLSA-N 2 2 250.386 2.673 10 0 CFAELP CC[C@H](C)C[C@@](CC)(C[NH3+])[NH+]1CCC(OC)CC1 ZINC000037265978 173074719 /nfs/dbraw/zinc/07/47/19/173074719.db2.gz ATRHKKMGTVLQJL-ZFWWWQNUSA-N 2 2 256.434 2.641 10 0 CFAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363705 173152658 /nfs/dbraw/zinc/15/26/58/173152658.db2.gz ZATRDKIMXFNGNW-OAHLLOKOSA-N 2 2 262.397 2.743 10 0 CFAELP CCCC1CCC(C[NH3+])([NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000037489510 173231790 /nfs/dbraw/zinc/23/17/90/173231790.db2.gz ZKNFCTHYHCHJEW-WXLSXGNJSA-N 2 2 268.445 2.783 10 0 CFAELP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000037490944 173232473 /nfs/dbraw/zinc/23/24/73/173232473.db2.gz TXUMBVRYWZQCFQ-KSZLIROESA-N 2 2 290.451 2.963 10 0 CFAELP CCc1cccc2c(C[N@@H+]3CCC[NH2+]CC3)c[nH]c21 ZINC000038087064 174098315 /nfs/dbraw/zinc/09/83/15/174098315.db2.gz ZYRHDINOIWWPAE-UHFFFAOYSA-N 2 2 257.381 2.526 10 0 CFAELP CCc1cccc2c(C[N@H+]3CCC[NH2+]CC3)c[nH]c21 ZINC000038087064 174098317 /nfs/dbraw/zinc/09/83/17/174098317.db2.gz ZYRHDINOIWWPAE-UHFFFAOYSA-N 2 2 257.381 2.526 10 0 CFAELP CCC[NH+](CCC)[C@H](C[NH3+])c1cccc(OC)c1 ZINC000038827562 174155872 /nfs/dbraw/zinc/15/58/72/174155872.db2.gz DMSKXPZWWDQRKS-OAHLLOKOSA-N 2 2 250.386 2.817 10 0 CFAELP CC[NH+](CC)[C@H](C[NH3+])c1ccc(OC(C)C)cc1 ZINC000038983684 174160929 /nfs/dbraw/zinc/16/09/29/174160929.db2.gz NPBYYXOJMRURJV-OAHLLOKOSA-N 2 2 250.386 2.815 10 0 CFAELP Cc1cccc(CC[C@@H](C)[NH2+][C@H]2C[NH+]3CCC2CC3)c1 ZINC000040500459 174296869 /nfs/dbraw/zinc/29/68/69/174296869.db2.gz GXPQBNDXXUJENJ-QAPCUYQASA-N 2 2 272.436 3.000 10 0 CFAELP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1ccc(O)cc1 ZINC000040502242 174298058 /nfs/dbraw/zinc/29/80/58/174298058.db2.gz VDSOLDSNYHQHBR-GOEBONIOSA-N 2 2 262.397 2.917 10 0 CFAELP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1ccc(O)cc1 ZINC000040502242 174298060 /nfs/dbraw/zinc/29/80/60/174298060.db2.gz VDSOLDSNYHQHBR-GOEBONIOSA-N 2 2 262.397 2.917 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CCc2ccc(O)cc2)C1 ZINC000040502271 174298706 /nfs/dbraw/zinc/29/87/06/174298706.db2.gz YWUWGFWBJPTCLG-HOCLYGCPSA-N 2 2 276.424 2.787 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CCc2ccc(O)cc2)C1 ZINC000040502271 174298708 /nfs/dbraw/zinc/29/87/08/174298708.db2.gz YWUWGFWBJPTCLG-HOCLYGCPSA-N 2 2 276.424 2.787 10 0 CFAELP CC(C)Oc1cccc([C@H](C[NH3+])[NH+]2CCCCC2)c1 ZINC000040640922 174364267 /nfs/dbraw/zinc/36/42/67/174364267.db2.gz FTOPRVBSOATZKX-INIZCTEOSA-N 2 2 262.397 2.960 10 0 CFAELP CC(C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671331 174369609 /nfs/dbraw/zinc/36/96/09/174369609.db2.gz QMZHNGGRRRKZIK-NVXWUHKLSA-N 2 2 260.425 2.938 10 0 CFAELP CC(C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671331 174369610 /nfs/dbraw/zinc/36/96/10/174369610.db2.gz QMZHNGGRRRKZIK-NVXWUHKLSA-N 2 2 260.425 2.938 10 0 CFAELP [NH3+]C[C@H]1CCCCC[C@@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693657 174377535 /nfs/dbraw/zinc/37/75/35/174377535.db2.gz URIYLZHXMIWLOY-AEFFLSMTSA-N 3 2 293.499 2.844 10 0 CFAELP CC(C)(C)c1nc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cs1 ZINC000040750298 174395060 /nfs/dbraw/zinc/39/50/60/174395060.db2.gz ZOWFTOVQPFPJRN-VGPLMAKISA-N 2 2 279.453 2.895 10 0 CFAELP CC(C)(C)c1nc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cs1 ZINC000040750298 174395063 /nfs/dbraw/zinc/39/50/63/174395063.db2.gz ZOWFTOVQPFPJRN-VGPLMAKISA-N 2 2 279.453 2.895 10 0 CFAELP Clc1ccc(CC[NH2+][C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000043324137 175006279 /nfs/dbraw/zinc/00/62/79/175006279.db2.gz ULXPCLFSBOHSES-LBPRGKRZSA-N 2 2 273.207 2.878 10 0 CFAELP CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043326749 175008141 /nfs/dbraw/zinc/00/81/41/175008141.db2.gz KTCDGRVZXUGGNI-KGLIPLIRSA-N 2 2 262.397 2.876 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@H+](CCOC)CC(C)C ZINC000043335921 175012301 /nfs/dbraw/zinc/01/23/01/175012301.db2.gz HDGFOWBLVLFTSR-DZGCQCFKSA-N 2 2 268.401 2.662 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@@H+](CCOC)CC(C)C ZINC000043335921 175012302 /nfs/dbraw/zinc/01/23/02/175012302.db2.gz HDGFOWBLVLFTSR-DZGCQCFKSA-N 2 2 268.401 2.662 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043338891 175013017 /nfs/dbraw/zinc/01/30/17/175013017.db2.gz CBQTUQBSLUDHHV-KNCOVGOOSA-N 2 2 261.413 2.838 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043338891 175013018 /nfs/dbraw/zinc/01/30/18/175013018.db2.gz CBQTUQBSLUDHHV-KNCOVGOOSA-N 2 2 261.413 2.838 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043339528 175013924 /nfs/dbraw/zinc/01/39/24/175013924.db2.gz TUISOYPMKJNRKA-JYYAWHABSA-N 2 2 273.424 2.982 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043339528 175013926 /nfs/dbraw/zinc/01/39/26/175013926.db2.gz TUISOYPMKJNRKA-JYYAWHABSA-N 2 2 273.424 2.982 10 0 CFAELP C[C@H]([NH3+])[C@H](c1ccccn1)[N@H+](C)CC1CCCCC1 ZINC000043340209 175014721 /nfs/dbraw/zinc/01/47/21/175014721.db2.gz CWLXJCZIGWMJKG-XJKSGUPXSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+](C)CC1CCCCC1 ZINC000043340209 175014723 /nfs/dbraw/zinc/01/47/23/175014723.db2.gz CWLXJCZIGWMJKG-XJKSGUPXSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043341032 175015524 /nfs/dbraw/zinc/01/55/24/175015524.db2.gz CXDMHOHIOLKEGY-LXZKKBNFSA-N 2 2 291.439 2.607 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043341032 175015525 /nfs/dbraw/zinc/01/55/25/175015525.db2.gz CXDMHOHIOLKEGY-LXZKKBNFSA-N 2 2 291.439 2.607 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](CC1CC1)C(C)C ZINC000043354690 175022760 /nfs/dbraw/zinc/02/27/60/175022760.db2.gz XIALQTHABFAVQM-CVEARBPZSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](CC1CC1)C(C)C ZINC000043354690 175022762 /nfs/dbraw/zinc/02/27/62/175022762.db2.gz XIALQTHABFAVQM-CVEARBPZSA-N 2 2 261.413 2.980 10 0 CFAELP C[C@H]([NH3+])[C@@H](c1ccncc1)n1cc[nH+]c1-c1ccccc1 ZINC000043354991 175023026 /nfs/dbraw/zinc/02/30/26/175023026.db2.gz UMTPXVBEULCNBD-BBRMVZONSA-N 2 2 278.359 2.882 10 0 CFAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000043363825 175024554 /nfs/dbraw/zinc/02/45/54/175024554.db2.gz PGGFLDIYLQMBTG-OICBVUGWSA-N 2 2 250.386 2.954 10 0 CFAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000043363825 175024556 /nfs/dbraw/zinc/02/45/56/175024556.db2.gz PGGFLDIYLQMBTG-OICBVUGWSA-N 2 2 250.386 2.954 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](C)[C@@H]1CCSC1 ZINC000043364094 175024933 /nfs/dbraw/zinc/02/49/33/175024933.db2.gz KZOKZMWZQCQTBG-DYEKYZERSA-N 2 2 268.426 2.804 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043364094 175024934 /nfs/dbraw/zinc/02/49/34/175024934.db2.gz KZOKZMWZQCQTBG-DYEKYZERSA-N 2 2 268.426 2.804 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043364994 175026110 /nfs/dbraw/zinc/02/61/10/175026110.db2.gz LLXWIIGKFWUQCD-RDJZCZTQSA-N 3 2 293.455 2.640 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](CC)[C@@H](C)COC ZINC000043365366 175026564 /nfs/dbraw/zinc/02/65/64/175026564.db2.gz DSDKODXPVCVMEB-WHOFXGATSA-N 2 2 268.401 2.723 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](CC)[C@@H](C)COC ZINC000043365366 175026566 /nfs/dbraw/zinc/02/65/66/175026566.db2.gz DSDKODXPVCVMEB-WHOFXGATSA-N 2 2 268.401 2.723 10 0 CFAELP Cc1ccc([C@H](C[NH3+])n2cc[nH+]c2-c2ccccc2)o1 ZINC000043365547 175026978 /nfs/dbraw/zinc/02/69/78/175026978.db2.gz WPJVBBOFJHDIMG-AWEZNQCLSA-N 2 2 267.332 3.000 10 0 CFAELP CC[N@H+]([C@H](C)COC)[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390655 175033753 /nfs/dbraw/zinc/03/37/53/175033753.db2.gz DFCOITQOYBGCTK-YGRLFVJLSA-N 2 2 288.794 2.836 10 0 CFAELP CC[N@@H+]([C@H](C)COC)[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390655 175033754 /nfs/dbraw/zinc/03/37/54/175033754.db2.gz DFCOITQOYBGCTK-YGRLFVJLSA-N 2 2 288.794 2.836 10 0 CFAELP Cc1cc(C)cc([C@@H](C[NH3+])[N@H+](C)C[C@@H]2CCCCO2)c1 ZINC000043394365 175035283 /nfs/dbraw/zinc/03/52/83/175035283.db2.gz ABGNELKHWFTWMD-DLBZAZTESA-N 2 2 276.424 2.804 10 0 CFAELP Cc1cc(C)cc([C@@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCCO2)c1 ZINC000043394365 175035284 /nfs/dbraw/zinc/03/52/84/175035284.db2.gz ABGNELKHWFTWMD-DLBZAZTESA-N 2 2 276.424 2.804 10 0 CFAELP CC[N@H+](Cc1cc(F)ccc1F)C1CC[NH2+]CC1 ZINC000043459172 175050677 /nfs/dbraw/zinc/05/06/77/175050677.db2.gz WPGKWIMNSMUBCH-UHFFFAOYSA-N 2 2 254.324 2.539 10 0 CFAELP CC[N@@H+](Cc1cc(F)ccc1F)C1CC[NH2+]CC1 ZINC000043459172 175050679 /nfs/dbraw/zinc/05/06/79/175050679.db2.gz WPGKWIMNSMUBCH-UHFFFAOYSA-N 2 2 254.324 2.539 10 0 CFAELP C[N@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccccc1F ZINC000043498965 175058175 /nfs/dbraw/zinc/05/81/75/175058175.db2.gz HXARMJAQAWZJHM-CQSZACIVSA-N 2 2 250.361 2.790 10 0 CFAELP C[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccccc1F ZINC000043498965 175058176 /nfs/dbraw/zinc/05/81/76/175058176.db2.gz HXARMJAQAWZJHM-CQSZACIVSA-N 2 2 250.361 2.790 10 0 CFAELP C[N@H+](Cc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000043501461 175058521 /nfs/dbraw/zinc/05/85/21/175058521.db2.gz CXTJIYGQHSVEGA-CYBMUJFWSA-N 2 2 283.213 2.633 10 0 CFAELP C[N@@H+](Cc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000043501461 175058522 /nfs/dbraw/zinc/05/85/22/175058522.db2.gz CXTJIYGQHSVEGA-CYBMUJFWSA-N 2 2 283.213 2.633 10 0 CFAELP CC(C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000043501075 175058614 /nfs/dbraw/zinc/05/86/14/175058614.db2.gz LDOBGFWCCLUMIY-LLVKDONJSA-N 2 2 252.324 2.649 10 0 CFAELP CC(C)[NH2+]CCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000043501075 175058616 /nfs/dbraw/zinc/05/86/16/175058616.db2.gz LDOBGFWCCLUMIY-LLVKDONJSA-N 2 2 252.324 2.649 10 0 CFAELP CCC[NH2+][C@@H](CC)[C@H](C)[N@H+](C)CCc1ccccn1 ZINC000043818920 175113769 /nfs/dbraw/zinc/11/37/69/175113769.db2.gz JWQHBIUTZTWRED-HOCLYGCPSA-N 2 2 263.429 2.723 10 0 CFAELP CCC[NH2+][C@@H](CC)[C@H](C)[N@@H+](C)CCc1ccccn1 ZINC000043818920 175113771 /nfs/dbraw/zinc/11/37/71/175113771.db2.gz JWQHBIUTZTWRED-HOCLYGCPSA-N 2 2 263.429 2.723 10 0 CFAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](C)Cc1cccnc1 ZINC000043893591 175118370 /nfs/dbraw/zinc/11/83/70/175118370.db2.gz KMEQKXFHIOMPNT-IMJJTQAJSA-N 2 2 261.413 2.680 10 0 CFAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)Cc1cccnc1 ZINC000043893591 175118371 /nfs/dbraw/zinc/11/83/71/175118371.db2.gz KMEQKXFHIOMPNT-IMJJTQAJSA-N 2 2 261.413 2.680 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@H]1[N@H+](C)Cc1ccncc1 ZINC000043893829 175118645 /nfs/dbraw/zinc/11/86/45/175118645.db2.gz KBUNJMXNPVHSAY-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+](C)Cc1ccncc1 ZINC000043893829 175118646 /nfs/dbraw/zinc/11/86/46/175118646.db2.gz KBUNJMXNPVHSAY-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898616 175121006 /nfs/dbraw/zinc/12/10/06/175121006.db2.gz UUIGEWYTOLIOFF-CVEARBPZSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898616 175121008 /nfs/dbraw/zinc/12/10/08/175121008.db2.gz UUIGEWYTOLIOFF-CVEARBPZSA-N 2 2 268.445 2.798 10 0 CFAELP C[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)C1CCCCCC1)OCCO2 ZINC000043899594 175122125 /nfs/dbraw/zinc/12/21/25/175122125.db2.gz BGLYWHBTLSIRBG-CVEARBPZSA-N 2 2 296.455 2.525 10 0 CFAELP C[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)C1CCCCCC1)OCCO2 ZINC000043899594 175122126 /nfs/dbraw/zinc/12/21/26/175122126.db2.gz BGLYWHBTLSIRBG-CVEARBPZSA-N 2 2 296.455 2.525 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@H]1[N@H+](C)CCc1ccncc1 ZINC000043902309 175122612 /nfs/dbraw/zinc/12/26/12/175122612.db2.gz HUSHNGCXBHVRFC-DLBZAZTESA-N 2 2 275.440 2.867 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902309 175122614 /nfs/dbraw/zinc/12/26/14/175122614.db2.gz HUSHNGCXBHVRFC-DLBZAZTESA-N 2 2 275.440 2.867 10 0 CFAELP CC[NH2+][C@H](C[N@H+](C)CCOC)C12CC3CC(CC(C3)C1)C2 ZINC000043915905 175125172 /nfs/dbraw/zinc/12/51/72/175125172.db2.gz SNCRAWGEIKLKNI-AWDGRILASA-N 2 2 294.483 2.759 10 0 CFAELP CC[NH2+][C@H](C[N@@H+](C)CCOC)C12CC3CC(CC(C3)C1)C2 ZINC000043915905 175125173 /nfs/dbraw/zinc/12/51/73/175125173.db2.gz SNCRAWGEIKLKNI-AWDGRILASA-N 2 2 294.483 2.759 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@H]1[N@@H+]1CCOCC1(C)C ZINC000043916993 175125471 /nfs/dbraw/zinc/12/54/71/175125471.db2.gz CDAGSITXRGRWTN-LSDHHAIUSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@H]1[N@H+]1CCOCC1(C)C ZINC000043916993 175125473 /nfs/dbraw/zinc/12/54/73/175125473.db2.gz CDAGSITXRGRWTN-LSDHHAIUSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[C@H]([NH2+]C)[C@H](CC)[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966461 175128128 /nfs/dbraw/zinc/12/81/28/175128128.db2.gz XNDCSRAPOKGDKM-KKUMJFAQSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@H]([NH2+]C)[C@H](CC)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966461 175128129 /nfs/dbraw/zinc/12/81/29/175128129.db2.gz XNDCSRAPOKGDKM-KKUMJFAQSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966241 175128191 /nfs/dbraw/zinc/12/81/91/175128191.db2.gz YKQPJOPJSSNMFK-XHSDSOJGSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966241 175128192 /nfs/dbraw/zinc/12/81/92/175128192.db2.gz YKQPJOPJSSNMFK-XHSDSOJGSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2CC[C@@H]1[N@H+](CC)CCOC ZINC000043968710 175129567 /nfs/dbraw/zinc/12/95/67/175129567.db2.gz ITLSXTFOGXFUGQ-IRXDYDNUSA-N 2 2 276.424 2.620 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2CC[C@@H]1[N@@H+](CC)CCOC ZINC000043968710 175129568 /nfs/dbraw/zinc/12/95/68/175129568.db2.gz ITLSXTFOGXFUGQ-IRXDYDNUSA-N 2 2 276.424 2.620 10 0 CFAELP CCC[NH2+][C@H]1c2ccccc2C[C@H]1[N@H+](CC)CCOC ZINC000043968776 175129733 /nfs/dbraw/zinc/12/97/33/175129733.db2.gz KEFHCMBRLCECNU-SJORKVTESA-N 2 2 276.424 2.620 10 0 CFAELP CCC[NH2+][C@H]1c2ccccc2C[C@H]1[N@@H+](CC)CCOC ZINC000043968776 175129734 /nfs/dbraw/zinc/12/97/34/175129734.db2.gz KEFHCMBRLCECNU-SJORKVTESA-N 2 2 276.424 2.620 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@@H](C)[N@H+](CC)CCOC ZINC000043968605 175129807 /nfs/dbraw/zinc/12/98/07/175129807.db2.gz IUVBAVKZEFGJIW-GDBMZVCRSA-N 2 2 264.413 2.694 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@@H](C)[N@@H+](CC)CCOC ZINC000043968605 175129808 /nfs/dbraw/zinc/12/98/08/175129808.db2.gz IUVBAVKZEFGJIW-GDBMZVCRSA-N 2 2 264.413 2.694 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](CC(C)C)C(C)C)OCCO2 ZINC000043973964 175132783 /nfs/dbraw/zinc/13/27/83/175132783.db2.gz DTLCKMBYPUTGBL-JKSUJKDBSA-N 2 2 298.471 2.627 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](CC(C)C)C(C)C)OCCO2 ZINC000043973964 175132784 /nfs/dbraw/zinc/13/27/84/175132784.db2.gz DTLCKMBYPUTGBL-JKSUJKDBSA-N 2 2 298.471 2.627 10 0 CFAELP CC[NH2+][C@H](C[N@H+](CC)[C@@H](C)COC)c1ccc(OC)cc1 ZINC000043981419 175133933 /nfs/dbraw/zinc/13/39/33/175133933.db2.gz PHEUNJSAFGJAML-WMLDXEAASA-N 2 2 294.439 2.703 10 0 CFAELP CC[NH2+][C@H](C[N@@H+](CC)[C@@H](C)COC)c1ccc(OC)cc1 ZINC000043981419 175133934 /nfs/dbraw/zinc/13/39/34/175133934.db2.gz PHEUNJSAFGJAML-WMLDXEAASA-N 2 2 294.439 2.703 10 0 CFAELP CC[N@H+](C[C@H]([NH2+]C)c1ccc(C)cc1C)[C@@H](C)COC ZINC000043981038 175134117 /nfs/dbraw/zinc/13/41/17/175134117.db2.gz SGTQBPJVSVGDQX-RDJZCZTQSA-N 2 2 278.440 2.921 10 0 CFAELP CC[N@@H+](C[C@H]([NH2+]C)c1ccc(C)cc1C)[C@@H](C)COC ZINC000043981038 175134119 /nfs/dbraw/zinc/13/41/19/175134119.db2.gz SGTQBPJVSVGDQX-RDJZCZTQSA-N 2 2 278.440 2.921 10 0 CFAELP CC[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)n1cc[nH+]c1 ZINC000043993038 175135860 /nfs/dbraw/zinc/13/58/60/175135860.db2.gz NBEQOJXPMMFTCN-WFASDCNBSA-N 2 2 259.353 2.804 10 0 CFAELP C[NH2+][C@@H](Cn1cc[nH+]c1)c1cccc2ccccc21 ZINC000043993095 175136015 /nfs/dbraw/zinc/13/60/15/175136015.db2.gz ATEJUYQOAUZHBM-INIZCTEOSA-N 2 2 251.333 2.997 10 0 CFAELP C[NH2+][C@@H](Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000043993184 175136750 /nfs/dbraw/zinc/13/67/50/175136750.db2.gz CVPHBOHZHGRZRJ-LBPRGKRZSA-N 2 2 269.270 2.863 10 0 CFAELP Cc1cc(Cl)c(C[NH+]2CCC(C[NH3+])CC2)c(Cl)n1 ZINC000044513468 175188723 /nfs/dbraw/zinc/18/87/23/175188723.db2.gz LMDKPSPIERCTTA-UHFFFAOYSA-N 2 2 288.222 2.868 10 0 CFAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1c(F)cccc1F ZINC000044535389 175198759 /nfs/dbraw/zinc/19/87/59/175198759.db2.gz QWNSFZWAKWIPMZ-NEPJUHHUSA-N 2 2 268.351 2.957 10 0 CFAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1c(F)cccc1F ZINC000044535389 175198760 /nfs/dbraw/zinc/19/87/60/175198760.db2.gz QWNSFZWAKWIPMZ-NEPJUHHUSA-N 2 2 268.351 2.957 10 0 CFAELP CCn1cc(C[N@@H+]2CCCC[C@H]2C[NH3+])c2ccccc21 ZINC000044540441 175200470 /nfs/dbraw/zinc/20/04/70/175200470.db2.gz YJTQXTGTZWIVRD-HNNXBMFYSA-N 2 2 271.408 2.974 10 0 CFAELP CCn1cc(C[N@H+]2CCCC[C@H]2C[NH3+])c2ccccc21 ZINC000044540441 175200472 /nfs/dbraw/zinc/20/04/72/175200472.db2.gz YJTQXTGTZWIVRD-HNNXBMFYSA-N 2 2 271.408 2.974 10 0 CFAELP COc1ccc([C@@H](C)[N@@H+]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000044539775 175200673 /nfs/dbraw/zinc/20/06/73/175200673.db2.gz WKZWIPAIQHUVGD-TZMCWYRMSA-N 2 2 278.396 2.578 10 0 CFAELP COc1ccc([C@@H](C)[N@H+]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000044539775 175200675 /nfs/dbraw/zinc/20/06/75/175200675.db2.gz WKZWIPAIQHUVGD-TZMCWYRMSA-N 2 2 278.396 2.578 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@@H+]1CCSc1ccc(F)cc1 ZINC000044558835 175203408 /nfs/dbraw/zinc/20/34/08/175203408.db2.gz ORAQRZCHMZPIHR-ZDUSSCGKSA-N 2 2 268.401 2.731 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@H+]1CCSc1ccc(F)cc1 ZINC000044558835 175203409 /nfs/dbraw/zinc/20/34/09/175203409.db2.gz ORAQRZCHMZPIHR-ZDUSSCGKSA-N 2 2 268.401 2.731 10 0 CFAELP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C)c1 ZINC000044561356 175204822 /nfs/dbraw/zinc/20/48/22/175204822.db2.gz SOWYUBYWINKYLL-CXAGYDPISA-N 2 2 289.423 2.780 10 0 CFAELP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C)c1 ZINC000044561356 175204823 /nfs/dbraw/zinc/20/48/23/175204823.db2.gz SOWYUBYWINKYLL-CXAGYDPISA-N 2 2 289.423 2.780 10 0 CFAELP c1ccc([C@H]2C[C@@H]2[NH2+]C[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000044675953 175227137 /nfs/dbraw/zinc/22/71/37/175227137.db2.gz VFSXISXPPHCWIC-OTWHNJEPSA-N 2 2 278.399 2.847 10 0 CFAELP Nc1[nH+]c2cc(Cl)ccc2n1CCCCn1cc[nH+]c1 ZINC000045108611 175308605 /nfs/dbraw/zinc/30/86/05/175308605.db2.gz FEQFSYPDKJLZEC-UHFFFAOYSA-N 2 2 289.770 2.949 10 0 CFAELP Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000045170947 175320484 /nfs/dbraw/zinc/32/04/84/175320484.db2.gz GSWRPBOFWUYJKA-UGFHNGPFSA-N 2 2 287.411 2.678 10 0 CFAELP COC(=O)[C@](C)(CCCC[NH+]1CCC(C)CC1)[NH2+]C1CC1 ZINC000045374858 175365347 /nfs/dbraw/zinc/36/53/47/175365347.db2.gz GALRGDXZLYIDPG-KRWDZBQOSA-N 2 2 296.455 2.572 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[NH+]1CCCCC1)C(=O)OCC ZINC000045378351 175367687 /nfs/dbraw/zinc/36/76/87/175367687.db2.gz PYPZGNGZILQMDI-INIZCTEOSA-N 2 2 284.444 2.574 10 0 CFAELP CCC[NH2+][C@](C)(CCCC[NH+]1CCCCC1)C(=O)OC ZINC000045378263 175367766 /nfs/dbraw/zinc/36/77/66/175367766.db2.gz PSQBLBNTTYUZDI-MRXNPFEDSA-N 2 2 284.444 2.574 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379606 175368523 /nfs/dbraw/zinc/36/85/23/175368523.db2.gz FAJCZFDLBQWQBB-UXLLHSPISA-N 2 2 298.471 2.961 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379606 175368524 /nfs/dbraw/zinc/36/85/24/175368524.db2.gz FAJCZFDLBQWQBB-UXLLHSPISA-N 2 2 298.471 2.961 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCCC[C@@H]1CC)C(=O)OC ZINC000045384149 175371064 /nfs/dbraw/zinc/37/10/64/175371064.db2.gz JOYDVHXUTSGFQY-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@H+]1CCCC[C@@H]1CC)C(=O)OC ZINC000045384149 175371065 /nfs/dbraw/zinc/37/10/65/175371065.db2.gz JOYDVHXUTSGFQY-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)OC)C1CC1 ZINC000045387493 175373112 /nfs/dbraw/zinc/37/31/12/175373112.db2.gz MGAGIZAOLYVFTN-KRWDZBQOSA-N 2 2 296.455 2.715 10 0 CFAELP CCC[N@@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)OC)C1CC1 ZINC000045387493 175373113 /nfs/dbraw/zinc/37/31/13/175373113.db2.gz MGAGIZAOLYVFTN-KRWDZBQOSA-N 2 2 296.455 2.715 10 0 CFAELP CC[N@H+]([C@@H](c1cccs1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000071312364 176119195 /nfs/dbraw/zinc/11/91/95/176119195.db2.gz FUWIBFXQSPFOJT-GXTWGEPZSA-N 2 2 250.411 2.883 10 0 CFAELP CC[N@@H+]([C@@H](c1cccs1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000071312364 176119196 /nfs/dbraw/zinc/11/91/96/176119196.db2.gz FUWIBFXQSPFOJT-GXTWGEPZSA-N 2 2 250.411 2.883 10 0 CFAELP C[NH2+]C1CCC(c2[nH]c3ccc(OC)cc3[nH+]2)CC1 ZINC000071791081 176262829 /nfs/dbraw/zinc/26/28/29/176262829.db2.gz UKJICWQPJVRIBS-UHFFFAOYSA-N 2 2 259.353 2.817 10 0 CFAELP CCc1cc([C@H](C[NH3+])[N@H+](C)C(C)C)ccc1OC ZINC000077432339 177268087 /nfs/dbraw/zinc/26/80/87/177268087.db2.gz IJFBNRATCINFDG-AWEZNQCLSA-N 2 2 250.386 2.598 10 0 CFAELP CCc1cc([C@H](C[NH3+])[N@@H+](C)C(C)C)ccc1OC ZINC000077432339 177268089 /nfs/dbraw/zinc/26/80/89/177268089.db2.gz IJFBNRATCINFDG-AWEZNQCLSA-N 2 2 250.386 2.598 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000395180026 270311757 /nfs/dbraw/zinc/31/17/57/270311757.db2.gz DOISYZDUSSADBO-CQSZACIVSA-N 2 2 252.789 2.832 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000395180026 270311758 /nfs/dbraw/zinc/31/17/58/270311758.db2.gz DOISYZDUSSADBO-CQSZACIVSA-N 2 2 252.789 2.832 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(OC)cc3C2)C1 ZINC000252705373 276167996 /nfs/dbraw/zinc/16/79/96/276167996.db2.gz QBFOTLINVRUEQU-DLBZAZTESA-N 2 2 288.435 2.626 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(OC)cc3C2)C1 ZINC000252705373 276167997 /nfs/dbraw/zinc/16/79/97/276167997.db2.gz QBFOTLINVRUEQU-DLBZAZTESA-N 2 2 288.435 2.626 10 0 CFAELP Cc1cc[nH+]c(N[C@H]2CCC[C@@H]2C[NH3+])c1Br ZINC000235946212 278988300 /nfs/dbraw/zinc/98/83/00/278988300.db2.gz WDAKEQBSQUGDPX-ZJUUUORDSA-N 2 2 284.201 2.692 10 0 CFAELP Clc1ccc2c(c1)CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000261782254 294108637 /nfs/dbraw/zinc/10/86/37/294108637.db2.gz FOQVQUMPAMTRJC-GFCCVEGCSA-N 2 2 264.800 2.698 10 0 CFAELP Clc1ccc2c(c1)CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000261782254 294108641 /nfs/dbraw/zinc/10/86/41/294108641.db2.gz FOQVQUMPAMTRJC-GFCCVEGCSA-N 2 2 264.800 2.698 10 0 CFAELP CC[NH2+]C1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000049508878 519909063 /nfs/dbraw/zinc/90/90/63/519909063.db2.gz RMDCJOVSTKRMPU-GFCCVEGCSA-N 2 2 250.361 2.961 10 0 CFAELP CC[NH2+]C[C@@H](C(C)C)[N@H+](C)Cc1cccc(OC)c1 ZINC000052372847 519930372 /nfs/dbraw/zinc/93/03/72/519930372.db2.gz LLGALYYZAOUHKI-INIZCTEOSA-N 2 2 264.413 2.761 10 0 CFAELP CC[NH2+]C[C@@H](C(C)C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372847 519930378 /nfs/dbraw/zinc/93/03/78/519930378.db2.gz LLGALYYZAOUHKI-INIZCTEOSA-N 2 2 264.413 2.761 10 0 CFAELP CC[NH2+][C@H]1CC[N@@H+]([C@@H]2CCCc3sccc32)C1 ZINC000061363710 520215890 /nfs/dbraw/zinc/21/58/90/520215890.db2.gz OTVYXSDZSPYFMG-WCQYABFASA-N 2 2 250.411 2.809 10 0 CFAELP CC[NH2+][C@H]1CC[N@H+]([C@@H]2CCCc3sccc32)C1 ZINC000061363710 520215895 /nfs/dbraw/zinc/21/58/95/520215895.db2.gz OTVYXSDZSPYFMG-WCQYABFASA-N 2 2 250.411 2.809 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@H](C[NH3+])c1ccccc1OC ZINC000069427907 521309920 /nfs/dbraw/zinc/30/99/20/521309920.db2.gz IIPVKQFWUWXHCX-CYBMUJFWSA-N 2 2 250.386 2.815 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@H](C[NH3+])c1ccccc1OC ZINC000069427907 521309931 /nfs/dbraw/zinc/30/99/31/521309931.db2.gz IIPVKQFWUWXHCX-CYBMUJFWSA-N 2 2 250.386 2.815 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@H](C[NH3+])c1cc(OC)ccc1OC ZINC000069429569 521308970 /nfs/dbraw/zinc/30/89/70/521308970.db2.gz DLPPECJAMZQDIX-CQSZACIVSA-N 2 2 280.412 2.824 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@H](C[NH3+])c1cc(OC)ccc1OC ZINC000069429569 521308981 /nfs/dbraw/zinc/30/89/81/521308981.db2.gz DLPPECJAMZQDIX-CQSZACIVSA-N 2 2 280.412 2.824 10 0 CFAELP CC[C@@H](C[NH2+]C1CC1)[N@H+](C)Cc1cccc(OC)c1 ZINC000052372886 522544997 /nfs/dbraw/zinc/54/49/97/522544997.db2.gz VHHOMBVHRZJMCK-HNNXBMFYSA-N 2 2 262.397 2.658 10 0 CFAELP CC[C@@H](C[NH2+]C1CC1)[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372886 522545004 /nfs/dbraw/zinc/54/50/04/522545004.db2.gz VHHOMBVHRZJMCK-HNNXBMFYSA-N 2 2 262.397 2.658 10 0 CFAELP CC(C)C[C@H]1C[N@H+](CCc2ccccc2)CCC[NH2+]1 ZINC000062657660 519414661 /nfs/dbraw/zinc/41/46/61/519414661.db2.gz MYUZNQIKQLDOLU-KRWDZBQOSA-N 2 2 260.425 2.939 10 0 CFAELP CC(C)C[C@H]1C[N@@H+](CCc2ccccc2)CCC[NH2+]1 ZINC000062657660 519414667 /nfs/dbraw/zinc/41/46/67/519414667.db2.gz MYUZNQIKQLDOLU-KRWDZBQOSA-N 2 2 260.425 2.939 10 0 CFAELP CC(C)[N@@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)C1 ZINC000045651072 519690242 /nfs/dbraw/zinc/69/02/42/519690242.db2.gz FSANAYXGCFGQGY-KRWDZBQOSA-N 2 2 287.451 2.512 10 0 CFAELP CC(C)[N@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)C1 ZINC000045651072 519690244 /nfs/dbraw/zinc/69/02/44/519690244.db2.gz FSANAYXGCFGQGY-KRWDZBQOSA-N 2 2 287.451 2.512 10 0 CFAELP CC(C)[NH2+]CC[N@H+](C)CCc1cccc(Br)c1 ZINC000228263524 519721516 /nfs/dbraw/zinc/72/15/16/519721516.db2.gz OOSLYVQHPYFXNU-UHFFFAOYSA-N 2 2 299.256 2.921 10 0 CFAELP CC(C)[NH2+]CC[N@@H+](C)CCc1cccc(Br)c1 ZINC000228263524 519721518 /nfs/dbraw/zinc/72/15/18/519721518.db2.gz OOSLYVQHPYFXNU-UHFFFAOYSA-N 2 2 299.256 2.921 10 0 CFAELP CC(C)C[NH2+]CCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374702 519743790 /nfs/dbraw/zinc/74/37/90/519743790.db2.gz AWOQTGMPZXHNAL-UHFFFAOYSA-N 2 2 293.430 2.583 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]Cc1cccc2cccnc21 ZINC000049197048 519793748 /nfs/dbraw/zinc/79/37/48/519793748.db2.gz DDSDTTXONYGPCS-MRXNPFEDSA-N 2 2 271.408 2.911 10 0 CFAELP CCCC1CC[NH+]([C@H](c2cccnc2)[C@H](C)[NH3+])CC1 ZINC000050893099 519903498 /nfs/dbraw/zinc/90/34/98/519903498.db2.gz RHWUTLQVOFVCHO-BBRMVZONSA-N 2 2 261.413 2.982 10 0 CFAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1nc(C)cs1 ZINC000054602615 519910005 /nfs/dbraw/zinc/91/00/05/519910005.db2.gz KPRISZAIJMDGMD-AGUYFDCRSA-N 2 2 279.453 2.947 10 0 CFAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1nc(C)cs1 ZINC000054602615 519910008 /nfs/dbraw/zinc/91/00/08/519910008.db2.gz KPRISZAIJMDGMD-AGUYFDCRSA-N 2 2 279.453 2.947 10 0 CFAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1F ZINC000054603243 519910710 /nfs/dbraw/zinc/91/07/10/519910710.db2.gz CMMUCAVGFSCNRY-GOOCMWNKSA-N 2 2 262.372 2.931 10 0 CFAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1F ZINC000054603243 519910711 /nfs/dbraw/zinc/91/07/11/519910711.db2.gz CMMUCAVGFSCNRY-GOOCMWNKSA-N 2 2 262.372 2.931 10 0 CFAELP CC[NH2+]C[C@@H](c1ccccc1)[N@H+](C)CCc1ccccn1 ZINC000052423995 519949263 /nfs/dbraw/zinc/94/92/63/519949263.db2.gz MBKAYAQGVKISGC-SFHVURJKSA-N 2 2 283.419 2.907 10 0 CFAELP CC[NH2+]C[C@@H](c1ccccc1)[N@@H+](C)CCc1ccccn1 ZINC000052423995 519949268 /nfs/dbraw/zinc/94/92/68/519949268.db2.gz MBKAYAQGVKISGC-SFHVURJKSA-N 2 2 283.419 2.907 10 0 CFAELP CC[NH2+]C[C@@H]1CCC[N@@H+]1CCCOc1ccccc1 ZINC000061815922 519949445 /nfs/dbraw/zinc/94/94/45/519949445.db2.gz KJUCJEIWMBKJRX-HNNXBMFYSA-N 2 2 262.397 2.529 10 0 CFAELP CC[NH2+]C[C@@H]1CCC[N@H+]1CCCOc1ccccc1 ZINC000061815922 519949451 /nfs/dbraw/zinc/94/94/51/519949451.db2.gz KJUCJEIWMBKJRX-HNNXBMFYSA-N 2 2 262.397 2.529 10 0 CFAELP CC[NH2+]C[C@H](C(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418167 519957264 /nfs/dbraw/zinc/95/72/64/519957264.db2.gz BLYYDFRPCPIHPG-QGZVFWFLSA-N 2 2 293.430 2.582 10 0 CFAELP CC[NH2+]C[C@H](C(C)C)[N@H+](C)Cc1cccc(OC)c1 ZINC000052372848 519958230 /nfs/dbraw/zinc/95/82/30/519958230.db2.gz LLGALYYZAOUHKI-MRXNPFEDSA-N 2 2 264.413 2.761 10 0 CFAELP CC[NH2+]C[C@H](C(C)C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372848 519958240 /nfs/dbraw/zinc/95/82/40/519958240.db2.gz LLGALYYZAOUHKI-MRXNPFEDSA-N 2 2 264.413 2.761 10 0 CFAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)CCc2ccco2)C1 ZINC000049568576 520022623 /nfs/dbraw/zinc/02/26/23/520022623.db2.gz BVOKDMUSMZPDFC-UONOGXRCSA-N 2 2 250.386 2.675 10 0 CFAELP CCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)CCc2ccco2)C1 ZINC000049568576 520022630 /nfs/dbraw/zinc/02/26/30/520022630.db2.gz BVOKDMUSMZPDFC-UONOGXRCSA-N 2 2 250.386 2.675 10 0 CFAELP CCCC[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596496 520433637 /nfs/dbraw/zinc/43/36/37/520433637.db2.gz NSJWWCBLDNVHIS-AWEZNQCLSA-N 2 2 250.386 2.735 10 0 CFAELP CCCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596496 520433642 /nfs/dbraw/zinc/43/36/42/520433642.db2.gz NSJWWCBLDNVHIS-AWEZNQCLSA-N 2 2 250.386 2.735 10 0 CFAELP CC1(C)C[N@H+](Cc2ccccc2Cl)CCC[NH2+]1 ZINC000062624930 520483478 /nfs/dbraw/zinc/48/34/78/520483478.db2.gz XSLAQFZFIOKQDR-UHFFFAOYSA-N 2 2 252.789 2.914 10 0 CFAELP CC1(C)C[N@@H+](Cc2ccccc2Cl)CCC[NH2+]1 ZINC000062624930 520483485 /nfs/dbraw/zinc/48/34/85/520483485.db2.gz XSLAQFZFIOKQDR-UHFFFAOYSA-N 2 2 252.789 2.914 10 0 CFAELP CC[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000069237520 520966397 /nfs/dbraw/zinc/96/63/97/520966397.db2.gz UDEUGUPZXLBKHH-OAHLLOKOSA-N 2 2 290.407 2.580 10 0 CFAELP CC[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000069237520 520966406 /nfs/dbraw/zinc/96/64/06/520966406.db2.gz UDEUGUPZXLBKHH-OAHLLOKOSA-N 2 2 290.407 2.580 10 0 CFAELP CC[N@H+](C[C@@H]1CCCO1)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050578904 521227823 /nfs/dbraw/zinc/22/78/23/521227823.db2.gz PKQSYKXVQOZYAN-HOCLYGCPSA-N 2 2 280.387 2.635 10 0 CFAELP CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050578904 521227831 /nfs/dbraw/zinc/22/78/31/521227831.db2.gz PKQSYKXVQOZYAN-HOCLYGCPSA-N 2 2 280.387 2.635 10 0 CFAELP CCOc1ccccc1[C@H](C[NH3+])[N@H+](CC)CC1CC1 ZINC000069237477 521589091 /nfs/dbraw/zinc/58/90/91/521589091.db2.gz APCRAOHLXWBOCX-HNNXBMFYSA-N 2 2 262.397 2.817 10 0 CFAELP CCOc1ccccc1[C@H](C[NH3+])[N@@H+](CC)CC1CC1 ZINC000069237477 521589093 /nfs/dbraw/zinc/58/90/93/521589093.db2.gz APCRAOHLXWBOCX-HNNXBMFYSA-N 2 2 262.397 2.817 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2c[nH]c3ccccc23)C1 ZINC000049591433 521648175 /nfs/dbraw/zinc/64/81/75/521648175.db2.gz SDAAZZLKQIBBEH-AWEZNQCLSA-N 2 2 257.381 2.742 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2c[nH]c3ccccc23)C1 ZINC000049591433 521648177 /nfs/dbraw/zinc/64/81/77/521648177.db2.gz SDAAZZLKQIBBEH-AWEZNQCLSA-N 2 2 257.381 2.742 10 0 CFAELP C[NH2+]C1CC[NH+]([C@@H](C)c2sc(C)nc2C)CC1 ZINC000049533874 521954557 /nfs/dbraw/zinc/95/45/57/521954557.db2.gz PSFRVPIFECKZAP-JTQLQIEISA-N 2 2 253.415 2.505 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@H+](CC)C[C@@H]1CCCO1 ZINC000052203718 521954518 /nfs/dbraw/zinc/95/45/18/521954518.db2.gz VRKTYQPEVRVGNR-RDJZCZTQSA-N 2 2 276.424 2.750 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@@H+](CC)C[C@@H]1CCCO1 ZINC000052203718 521954528 /nfs/dbraw/zinc/95/45/28/521954528.db2.gz VRKTYQPEVRVGNR-RDJZCZTQSA-N 2 2 276.424 2.750 10 0 CFAELP CC[C@H](C[NH2+]CC(C)C)[N@H+](C)CCc1ccncc1 ZINC000052483053 522193873 /nfs/dbraw/zinc/19/38/73/522193873.db2.gz JWFQDUFDGUUIAL-MRXNPFEDSA-N 2 2 263.429 2.580 10 0 CFAELP CC[C@H](C[NH2+]CC(C)C)[N@@H+](C)CCc1ccncc1 ZINC000052483053 522193881 /nfs/dbraw/zinc/19/38/81/522193881.db2.gz JWFQDUFDGUUIAL-MRXNPFEDSA-N 2 2 263.429 2.580 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)Cc1ccc(C(F)(F)F)cc1 ZINC000050518325 522475430 /nfs/dbraw/zinc/47/54/30/522475430.db2.gz ZYKWATVWMPDHTC-LBPRGKRZSA-N 2 2 283.297 2.802 10 0 CFAELP CC[C@@H]([NH3+])c1ccccc1OCCCn1cc[nH+]c1 ZINC000049327102 522655897 /nfs/dbraw/zinc/65/58/97/522655897.db2.gz MMFRCAWPVNESSI-CQSZACIVSA-N 2 2 259.353 2.762 10 0 CFAELP COC1CC[NH+](Cc2csc(C[NH2+]C(C)(C)C)n2)CC1 ZINC000052455074 522706772 /nfs/dbraw/zinc/70/67/72/522706772.db2.gz XFPRJBOYHSMJCY-UHFFFAOYSA-N 2 2 297.468 2.642 10 0 CFAELP C[N@H+](CCC[NH2+]CCC[NH+]1CCCC1)C1CCCCC1 ZINC000049332520 522771242 /nfs/dbraw/zinc/77/12/42/522771242.db2.gz QMOMUYGJMOGUEP-UHFFFAOYSA-N 3 2 281.488 2.717 10 0 CFAELP C[N@@H+](CCC[NH2+]CCC[NH+]1CCCC1)C1CCCCC1 ZINC000049332520 522771250 /nfs/dbraw/zinc/77/12/50/522771250.db2.gz QMOMUYGJMOGUEP-UHFFFAOYSA-N 3 2 281.488 2.717 10 0 CFAELP C[N@H+](Cc1coc(-c2cccs2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231669620 523520657 /nfs/dbraw/zinc/52/06/57/523520657.db2.gz XGHMCXRGTQTQQM-CYBMUJFWSA-N 2 2 291.420 2.977 10 0 CFAELP C[N@@H+](Cc1coc(-c2cccs2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231669620 523520666 /nfs/dbraw/zinc/52/06/66/523520666.db2.gz XGHMCXRGTQTQQM-CYBMUJFWSA-N 2 2 291.420 2.977 10 0 CFAELP C[N@H+](Cc1csc(C[NH3+])n1)Cc1ccc(Cl)cc1 ZINC000052346354 523525941 /nfs/dbraw/zinc/52/59/41/523525941.db2.gz OOOIGYUPEVMIGU-UHFFFAOYSA-N 2 2 281.812 2.887 10 0 CFAELP C[N@@H+](Cc1csc(C[NH3+])n1)Cc1ccc(Cl)cc1 ZINC000052346354 523525945 /nfs/dbraw/zinc/52/59/45/523525945.db2.gz OOOIGYUPEVMIGU-UHFFFAOYSA-N 2 2 281.812 2.887 10 0 CFAELP CCc1ccc(Cn2cc[nH+]c2C[C@H]([NH3+])CC)s1 ZINC000062803071 523955439 /nfs/dbraw/zinc/95/54/39/523955439.db2.gz KYILSDXOLOWUFN-LLVKDONJSA-N 2 2 263.410 2.835 10 0 CFAELP COc1cccc([C@H](C)[NH2+][C@H](C)C[NH+]2CCCC2)c1 ZINC000049149465 524156251 /nfs/dbraw/zinc/15/62/51/524156251.db2.gz PSUZRAUGDKAIBM-KGLIPLIRSA-N 2 2 262.397 2.830 10 0 CFAELP C[C@H](CCc1ccc(O)cc1)[NH2+]CC[NH+]1CCCCC1 ZINC000049574573 524233315 /nfs/dbraw/zinc/23/33/15/524233315.db2.gz ILNXOAUSPSRUOQ-OAHLLOKOSA-N 2 2 276.424 2.789 10 0 CFAELP Cc1cc(C)c(C[NH2+]CC(C)C)c(N2CCOC[C@H]2C)[nH+]1 ZINC000051444109 524270897 /nfs/dbraw/zinc/27/08/97/524270897.db2.gz IHLLYJYLERHMGL-OAHLLOKOSA-N 2 2 291.439 2.669 10 0 CFAELP C[C@H](Cc1ccco1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000062771978 524747660 /nfs/dbraw/zinc/74/76/60/524747660.db2.gz VGHCQIFDONZUBZ-CQSZACIVSA-N 2 2 250.386 2.532 10 0 CFAELP C[C@H](Cc1ccco1)[NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000049147245 524747816 /nfs/dbraw/zinc/74/78/16/524747816.db2.gz USQMLNUIEXQNOX-CJNGLKHVSA-N 2 2 270.376 2.515 10 0 CFAELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1cccc(Br)c1 ZINC000062802863 524837236 /nfs/dbraw/zinc/83/72/36/524837236.db2.gz LRYLAXSISVMURF-JTQLQIEISA-N 2 2 294.196 2.584 10 0 CFAELP C[C@H]([NH3+])c1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC000061698313 524864690 /nfs/dbraw/zinc/86/46/90/524864690.db2.gz GUEKZNSFLYNLPE-QMMMGPOBSA-N 2 2 266.142 2.655 10 0 CFAELP COc1ccc([C@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)cc1 ZINC000049195843 525328468 /nfs/dbraw/zinc/32/84/68/525328468.db2.gz GIGIULULWVURFH-BBRMVZONSA-N 2 2 264.413 2.932 10 0 CFAELP Cc1cc([C@@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)ccc1F ZINC000050545823 525482071 /nfs/dbraw/zinc/48/20/71/525482071.db2.gz MHGYUIBYLSLYBJ-XHDPSFHLSA-N 2 2 250.361 2.866 10 0 CFAELP Cc1cc([C@@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)ccc1F ZINC000050545823 525482074 /nfs/dbraw/zinc/48/20/74/525482074.db2.gz MHGYUIBYLSLYBJ-XHDPSFHLSA-N 2 2 250.361 2.866 10 0 CFAELP COc1ccc2cc(C[N@@H+]3CCC[C@H]3C[NH3+])ccc2c1 ZINC000156042402 525627748 /nfs/dbraw/zinc/62/77/48/525627748.db2.gz KRKAHLMEYMJEIL-INIZCTEOSA-N 2 2 270.376 2.772 10 0 CFAELP COc1ccc2cc(C[N@H+]3CCC[C@H]3C[NH3+])ccc2c1 ZINC000156042402 525627754 /nfs/dbraw/zinc/62/77/54/525627754.db2.gz KRKAHLMEYMJEIL-INIZCTEOSA-N 2 2 270.376 2.772 10 0 CFAELP Cc1c(C)n([C@H](C[NH+](C)C)C(C)C)c2nc(C)[nH+]c(N)c12 ZINC000049223945 525688345 /nfs/dbraw/zinc/68/83/45/525688345.db2.gz JLWMABUCRAUONB-CYBMUJFWSA-N 2 2 289.427 2.697 10 0 CFAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+]2CCC[C@@H]2CCCO)s1 ZINC000052757246 525784575 /nfs/dbraw/zinc/78/45/75/525784575.db2.gz ZYQMDPXURXVPQZ-GZBFAFLISA-N 2 2 282.453 2.682 10 0 CFAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@H+]2CCC[C@@H]2CCCO)s1 ZINC000052757246 525784581 /nfs/dbraw/zinc/78/45/81/525784581.db2.gz ZYQMDPXURXVPQZ-GZBFAFLISA-N 2 2 282.453 2.682 10 0 CFAELP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])Cc2ccccc2)s1 ZINC000049534993 526753108 /nfs/dbraw/zinc/75/31/08/526753108.db2.gz FGUQJZNPQIJPGH-XHDPSFHLSA-N 2 2 289.448 2.981 10 0 CFAELP Cc1oc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C[NH2+]CC(C)C ZINC000052380350 526773698 /nfs/dbraw/zinc/77/36/98/526773698.db2.gz JFCQLMSMPCKITG-ZIAGYGMSSA-N 2 2 294.439 2.943 10 0 CFAELP NC(=[NH2+])c1ccc(C[NH+]2Cc3ccccc3C2)c(F)c1 ZINC000050911415 526822242 /nfs/dbraw/zinc/82/22/42/526822242.db2.gz VVIOKOHVDNHQAZ-UHFFFAOYSA-N 2 2 269.323 2.626 10 0 CFAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC000154628360 529614529 /nfs/dbraw/zinc/61/45/29/529614529.db2.gz VTPMVTDNVBAPFT-ZFWWWQNUSA-N 2 2 262.397 2.830 10 0 CFAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1OC ZINC000154628360 529614531 /nfs/dbraw/zinc/61/45/31/529614531.db2.gz VTPMVTDNVBAPFT-ZFWWWQNUSA-N 2 2 262.397 2.830 10 0 CFAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000151299342 232214811 /nfs/dbraw/zinc/21/48/11/232214811.db2.gz PDMJZZUBSAAYEP-XJKSGUPXSA-N 2 2 296.842 2.837 10 0 CFAELP CCC[NH+](CCC)[C@H](CO)Cc1cccc2[nH+]c[nH]c21 ZINC000034741361 346319108 /nfs/dbraw/zinc/31/91/08/346319108.db2.gz ORQKOCJNJAYZSK-AWEZNQCLSA-N 2 2 275.396 2.588 10 0 CFAELP Nc1c2ccc(Cl)cc2[nH+]c2c1CC[C@@H](C[NH3+])C2 ZINC000168540916 348048231 /nfs/dbraw/zinc/04/82/31/348048231.db2.gz XNHOJLIQFFHLQI-MRVPVSSYSA-N 2 2 261.756 2.534 10 0 CFAELP C[N@@H+]1CCC[C@H](Nc2ccccc2-n2cc[nH+]c2)CC1 ZINC000086817543 179345232 /nfs/dbraw/zinc/34/52/32/179345232.db2.gz FZSYOIKOIZECER-AWEZNQCLSA-N 2 2 270.380 2.769 10 0 CFAELP C[N@H+]1CCC[C@H](Nc2ccccc2-n2cc[nH+]c2)CC1 ZINC000086817543 179345234 /nfs/dbraw/zinc/34/52/34/179345234.db2.gz FZSYOIKOIZECER-AWEZNQCLSA-N 2 2 270.380 2.769 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1C[C@H](C[NH3+])C[C@H]1C ZINC000228084319 348193279 /nfs/dbraw/zinc/19/32/79/348193279.db2.gz SEMNIIJTNJBBIQ-OLZOCXBDSA-N 2 2 255.365 2.717 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C1(C)C ZINC000246321276 348262794 /nfs/dbraw/zinc/26/27/94/348262794.db2.gz WZOYLXIJOUMDFT-APIJFGDWSA-N 2 2 268.445 2.508 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)C1(C)C ZINC000246321276 348262795 /nfs/dbraw/zinc/26/27/95/348262795.db2.gz WZOYLXIJOUMDFT-APIJFGDWSA-N 2 2 268.445 2.508 10 0 CFAELP Cc1[nH+]cc(C[NH2+]CC[C@@H]2CCCO2)n1-c1ccccc1 ZINC000092128897 539672748 /nfs/dbraw/zinc/67/27/48/539672748.db2.gz WLQSVCKTDZJSIB-KRWDZBQOSA-N 2 2 285.391 2.839 10 0 CFAELP CCC[NH2+][C@@H]1CC[N@H+](CCc2cscn2)[C@H](C)C1 ZINC000104441267 186003504 /nfs/dbraw/zinc/00/35/04/186003504.db2.gz UNVQTMXROFIERG-CHWSQXEVSA-N 2 2 267.442 2.538 10 0 CFAELP CCC[NH2+][C@@H]1CC[N@@H+](CCc2cscn2)[C@H](C)C1 ZINC000104441267 186003505 /nfs/dbraw/zinc/00/35/05/186003505.db2.gz UNVQTMXROFIERG-CHWSQXEVSA-N 2 2 267.442 2.538 10 0 CFAELP CCC[NH2+][C@H]1CC[N@H+](CCc2cscn2)[C@H](C)C1 ZINC000104441270 186002795 /nfs/dbraw/zinc/00/27/95/186002795.db2.gz UNVQTMXROFIERG-OLZOCXBDSA-N 2 2 267.442 2.538 10 0 CFAELP CCC[NH2+][C@H]1CC[N@@H+](CCc2cscn2)[C@H](C)C1 ZINC000104441270 186002797 /nfs/dbraw/zinc/00/27/97/186002797.db2.gz UNVQTMXROFIERG-OLZOCXBDSA-N 2 2 267.442 2.538 10 0 CFAELP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]1O ZINC000398148496 539761515 /nfs/dbraw/zinc/76/15/15/539761515.db2.gz YFCDHPAADRDMDD-KZNAEPCWSA-N 2 2 290.451 2.646 10 0 CFAELP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]1O ZINC000398148496 539761517 /nfs/dbraw/zinc/76/15/17/539761517.db2.gz YFCDHPAADRDMDD-KZNAEPCWSA-N 2 2 290.451 2.646 10 0 CFAELP c1ccc(C[N@@H+]2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)cc1 ZINC000091303769 180130847 /nfs/dbraw/zinc/13/08/47/180130847.db2.gz BWEOPPRLIJCQPL-ROUUACIJSA-N 2 2 264.372 2.758 10 0 CFAELP c1ccc(C[N@H+]2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)cc1 ZINC000091303769 180130848 /nfs/dbraw/zinc/13/08/48/180130848.db2.gz BWEOPPRLIJCQPL-ROUUACIJSA-N 2 2 264.372 2.758 10 0 CFAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cncc3ccccc32)CC1 ZINC000616629565 352391932 /nfs/dbraw/zinc/39/19/32/352391932.db2.gz YFEWBBQTZKKPCD-CQSZACIVSA-N 2 2 269.392 2.763 10 0 CFAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cncc3ccccc32)CC1 ZINC000616629565 352391934 /nfs/dbraw/zinc/39/19/34/352391934.db2.gz YFEWBBQTZKKPCD-CQSZACIVSA-N 2 2 269.392 2.763 10 0 CFAELP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000234829381 539994459 /nfs/dbraw/zinc/99/44/59/539994459.db2.gz BIWAQLAVRXHFHG-BBWFWOEESA-N 2 2 276.424 2.837 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623887172 353749025 /nfs/dbraw/zinc/74/90/25/353749025.db2.gz WPHXGIQQKJBSMB-RBSFLKMASA-N 2 2 256.434 2.510 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000630552629 355110986 /nfs/dbraw/zinc/11/09/86/355110986.db2.gz FPGJDCDIAGFKLO-TZMCWYRMSA-N 2 2 255.365 2.574 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000246984170 540189160 /nfs/dbraw/zinc/18/91/60/540189160.db2.gz JVRBRBVJKDJQGZ-HOCLYGCPSA-N 2 2 262.372 2.887 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000246984170 540189164 /nfs/dbraw/zinc/18/91/64/540189164.db2.gz JVRBRBVJKDJQGZ-HOCLYGCPSA-N 2 2 262.372 2.887 10 0 CFAELP C[C@@H]1C[C@@H]([NH2+][C@@H](C[NH+](C)C)c2ccccc2)C[C@H](C)O1 ZINC000252100360 540558447 /nfs/dbraw/zinc/55/84/47/540558447.db2.gz IHMLWRFHKHIMEU-FSDCSDTHSA-N 2 2 276.424 2.835 10 0 CFAELP Cc1nc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1 ZINC000178300670 189105319 /nfs/dbraw/zinc/10/53/19/189105319.db2.gz RQLOGCURZFGBBI-CQSZACIVSA-N 2 2 276.409 2.621 10 0 CFAELP Cc1nc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1 ZINC000178300670 189105320 /nfs/dbraw/zinc/10/53/20/189105320.db2.gz RQLOGCURZFGBBI-CQSZACIVSA-N 2 2 276.409 2.621 10 0 CFAELP COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178332593 189108325 /nfs/dbraw/zinc/10/83/25/189108325.db2.gz XEJGXWWJXHXGQW-MRXNPFEDSA-N 2 2 285.391 2.865 10 0 CFAELP COc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178332593 189108326 /nfs/dbraw/zinc/10/83/26/189108326.db2.gz XEJGXWWJXHXGQW-MRXNPFEDSA-N 2 2 285.391 2.865 10 0 CFAELP COc1cccc2ccc(C[N@H+](C)CCn3cc[nH+]c3)nc21 ZINC000019144880 372148580 /nfs/dbraw/zinc/14/85/80/372148580.db2.gz NMYKXRSCLROWTK-UHFFFAOYSA-N 2 2 296.374 2.572 10 0 CFAELP COc1cccc2ccc(C[N@@H+](C)CCn3cc[nH+]c3)nc21 ZINC000019144880 372148584 /nfs/dbraw/zinc/14/85/84/372148584.db2.gz NMYKXRSCLROWTK-UHFFFAOYSA-N 2 2 296.374 2.572 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000033431095 372493993 /nfs/dbraw/zinc/49/39/93/372493993.db2.gz TWCHKHWLCCKKNI-ZENOOKHLSA-N 2 2 292.423 2.682 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000033431095 372494002 /nfs/dbraw/zinc/49/40/02/372494002.db2.gz TWCHKHWLCCKKNI-ZENOOKHLSA-N 2 2 292.423 2.682 10 0 CFAELP c1ccc2c(c1)OCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140894 372653854 /nfs/dbraw/zinc/65/38/54/372653854.db2.gz MGHAGGRGHHUPJG-MRXNPFEDSA-N 2 2 272.392 2.727 10 0 CFAELP CC(C)[NH2+]CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000037610425 372672999 /nfs/dbraw/zinc/67/29/99/372672999.db2.gz RTFOAQGILCWHFF-UHFFFAOYSA-N 2 2 260.425 2.939 10 0 CFAELP CC(C)([NH3+])c1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000041163478 372824256 /nfs/dbraw/zinc/82/42/56/372824256.db2.gz UFQMZNCYDYRGOB-UHFFFAOYSA-N 2 2 287.432 2.895 10 0 CFAELP CC(C)([NH3+])c1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000041163478 372824265 /nfs/dbraw/zinc/82/42/65/372824265.db2.gz UFQMZNCYDYRGOB-UHFFFAOYSA-N 2 2 287.432 2.895 10 0 CFAELP CC[C@H](C)Oc1ccccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000041166566 372825280 /nfs/dbraw/zinc/82/52/80/372825280.db2.gz YRXAEGVSYLZPII-AWEZNQCLSA-N 2 2 262.397 2.659 10 0 CFAELP CC[C@H](C)Oc1ccccc1C[N@H+]1CCC[NH2+]CC1 ZINC000041166566 372825284 /nfs/dbraw/zinc/82/52/84/372825284.db2.gz YRXAEGVSYLZPII-AWEZNQCLSA-N 2 2 262.397 2.659 10 0 CFAELP COCC[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000061374738 373715912 /nfs/dbraw/zinc/71/59/12/373715912.db2.gz AWJIPGLKNXAMMT-ARFHVFGLSA-N 2 2 270.461 2.615 10 0 CFAELP COCC[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000061374738 373715918 /nfs/dbraw/zinc/71/59/18/373715918.db2.gz AWJIPGLKNXAMMT-ARFHVFGLSA-N 2 2 270.461 2.615 10 0 CFAELP Cc1ccc(-c2nc(N3CC[C@@H]([NH3+])C3)c(C)c(C)[nH+]2)cc1 ZINC000070455794 374180154 /nfs/dbraw/zinc/18/01/54/374180154.db2.gz IXQRCWNDHJPUHQ-OAHLLOKOSA-N 2 2 282.391 2.606 10 0 CFAELP c1[nH]c2ccc(OCCC[NH+]3CCCCC3)cc2[nH+]1 ZINC000089195159 374887452 /nfs/dbraw/zinc/88/74/52/374887452.db2.gz CLKUBQZUVDOELZ-UHFFFAOYSA-N 2 2 259.353 2.818 10 0 CFAELP C[C@H]([NH3+])[C@@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000090802014 375029824 /nfs/dbraw/zinc/02/98/24/375029824.db2.gz YTNKHVPJEMHARS-VHSXEESVSA-N 2 2 273.302 2.664 10 0 CFAELP COCCCCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000116878248 376212603 /nfs/dbraw/zinc/21/26/03/376212603.db2.gz JOQMLQXMPVECNE-HNNXBMFYSA-N 2 2 277.412 2.632 10 0 CFAELP COCCCCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000116878248 376212605 /nfs/dbraw/zinc/21/26/05/376212605.db2.gz JOQMLQXMPVECNE-HNNXBMFYSA-N 2 2 277.412 2.632 10 0 CFAELP CCSCC[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000119286115 376385063 /nfs/dbraw/zinc/38/50/63/376385063.db2.gz RFLGVZZHPQTBMF-ZDUSSCGKSA-N 2 2 267.442 2.836 10 0 CFAELP CCSCC[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000119286115 376385066 /nfs/dbraw/zinc/38/50/66/376385066.db2.gz RFLGVZZHPQTBMF-ZDUSSCGKSA-N 2 2 267.442 2.836 10 0 CFAELP C[C@@]1(CNc2cc(C(F)(F)F)cc[nH+]2)CCC[NH2+]C1 ZINC000129390088 377420630 /nfs/dbraw/zinc/42/06/30/377420630.db2.gz NBVFVAMFTYBFSO-GFCCVEGCSA-N 2 2 273.302 2.902 10 0 CFAELP CC(C)OCCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151101117 378294702 /nfs/dbraw/zinc/29/47/02/378294702.db2.gz QUQUEWLWJQRWBV-HNNXBMFYSA-N 2 2 277.412 2.631 10 0 CFAELP CC(C)OCCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151101117 378294709 /nfs/dbraw/zinc/29/47/09/378294709.db2.gz QUQUEWLWJQRWBV-HNNXBMFYSA-N 2 2 277.412 2.631 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(C)no2)C1 ZINC000171613856 379356015 /nfs/dbraw/zinc/35/60/15/379356015.db2.gz JWNIGIOIFXRSOV-ZDUSSCGKSA-N 2 2 274.368 2.579 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(C)no2)C1 ZINC000171613856 379356026 /nfs/dbraw/zinc/35/60/26/379356026.db2.gz JWNIGIOIFXRSOV-ZDUSSCGKSA-N 2 2 274.368 2.579 10 0 CFAELP Cc1cnc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000173779897 379777112 /nfs/dbraw/zinc/77/71/12/379777112.db2.gz RSWHXAYXANTJOP-AWEZNQCLSA-N 2 2 286.379 2.620 10 0 CFAELP Cc1cnc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000173779897 379777117 /nfs/dbraw/zinc/77/71/17/379777117.db2.gz RSWHXAYXANTJOP-AWEZNQCLSA-N 2 2 286.379 2.620 10 0 CFAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000174924616 379962904 /nfs/dbraw/zinc/96/29/04/379962904.db2.gz LZXWPGFSQUHTML-LSDHHAIUSA-N 2 2 286.423 2.725 10 0 CFAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000174924616 379962911 /nfs/dbraw/zinc/96/29/11/379962911.db2.gz LZXWPGFSQUHTML-LSDHHAIUSA-N 2 2 286.423 2.725 10 0 CFAELP Cc1ccccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177101500 380304512 /nfs/dbraw/zinc/30/45/12/380304512.db2.gz SLVANWQJVNCUIH-MRXNPFEDSA-N 2 2 255.365 2.856 10 0 CFAELP Cc1ccccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177101500 380304515 /nfs/dbraw/zinc/30/45/15/380304515.db2.gz SLVANWQJVNCUIH-MRXNPFEDSA-N 2 2 255.365 2.856 10 0 CFAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2ccc(C)cn12 ZINC000182075823 380986040 /nfs/dbraw/zinc/98/60/40/380986040.db2.gz STVILNLTICAVOC-HZPDHXFCSA-N 2 2 298.434 2.701 10 0 CFAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2ccc(C)cn12 ZINC000182075823 380986043 /nfs/dbraw/zinc/98/60/43/380986043.db2.gz STVILNLTICAVOC-HZPDHXFCSA-N 2 2 298.434 2.701 10 0 CFAELP CCC[C@@H](C[N@@H+]1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000183400217 381266560 /nfs/dbraw/zinc/26/65/60/381266560.db2.gz QLJONJWTUNOFPD-ZWKOTPCHSA-N 2 2 290.451 2.833 10 0 CFAELP CCC[C@@H](C[N@H+]1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000183400217 381266566 /nfs/dbraw/zinc/26/65/66/381266566.db2.gz QLJONJWTUNOFPD-ZWKOTPCHSA-N 2 2 290.451 2.833 10 0 CFAELP CCO[C@H]1C[C@H]([N@H+](C)CCCn2cc[nH+]c2)C12CCCC2 ZINC000183191801 381232625 /nfs/dbraw/zinc/23/26/25/381232625.db2.gz WQZFMYUGSAVYJS-HOTGVXAUSA-N 2 2 291.439 2.943 10 0 CFAELP CCO[C@H]1C[C@H]([N@@H+](C)CCCn2cc[nH+]c2)C12CCCC2 ZINC000183191801 381232628 /nfs/dbraw/zinc/23/26/28/381232628.db2.gz WQZFMYUGSAVYJS-HOTGVXAUSA-N 2 2 291.439 2.943 10 0 CFAELP CC1(C)CC[C@@H](C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)O1 ZINC000187065759 382089465 /nfs/dbraw/zinc/08/94/65/382089465.db2.gz GFKRTTTZEKBFIJ-CABCVRRESA-N 2 2 289.423 2.773 10 0 CFAELP CC1(C)CC[C@@H](C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)O1 ZINC000187065759 382089474 /nfs/dbraw/zinc/08/94/74/382089474.db2.gz GFKRTTTZEKBFIJ-CABCVRRESA-N 2 2 289.423 2.773 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000187241810 382137741 /nfs/dbraw/zinc/13/77/41/382137741.db2.gz XYZBOVSSDQWCGW-RDJZCZTQSA-N 2 2 260.425 2.939 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000187241810 382137751 /nfs/dbraw/zinc/13/77/51/382137751.db2.gz XYZBOVSSDQWCGW-RDJZCZTQSA-N 2 2 260.425 2.939 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N[C@H](CC[NH3+])C(F)F ZINC000383511257 382545033 /nfs/dbraw/zinc/54/50/33/382545033.db2.gz SGTPOQISIFSULP-GFCCVEGCSA-N 2 2 265.307 2.938 10 0 CFAELP CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000389273812 382612817 /nfs/dbraw/zinc/61/28/17/382612817.db2.gz RRNNBZFQHFLBEJ-ZIAGYGMSSA-N 2 2 262.397 2.830 10 0 CFAELP CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000389273812 382612820 /nfs/dbraw/zinc/61/28/20/382612820.db2.gz RRNNBZFQHFLBEJ-ZIAGYGMSSA-N 2 2 262.397 2.830 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC)C2)C12CCCCC2 ZINC000389318946 382613918 /nfs/dbraw/zinc/61/39/18/382613918.db2.gz HAHGVJNBSUZQIQ-HRCADAONSA-N 2 2 280.456 2.798 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C2)C12CCCCC2 ZINC000389318946 382613922 /nfs/dbraw/zinc/61/39/22/382613922.db2.gz HAHGVJNBSUZQIQ-HRCADAONSA-N 2 2 280.456 2.798 10 0 CFAELP C[C@H]([NH2+][C@@H]1CCOc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000385919423 382581173 /nfs/dbraw/zinc/58/11/73/382581173.db2.gz AAAGAGKSIMEBNU-NWANDNLSSA-N 2 2 260.381 2.630 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]CCSCc2ccccc2)C1 ZINC000193903571 382728770 /nfs/dbraw/zinc/72/87/70/382728770.db2.gz LXGHJUOIHWQHDC-INIZCTEOSA-N 2 2 278.465 2.994 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]CCSCc2ccccc2)C1 ZINC000193903571 382728773 /nfs/dbraw/zinc/72/87/73/382728773.db2.gz LXGHJUOIHWQHDC-INIZCTEOSA-N 2 2 278.465 2.994 10 0 CFAELP C[NH+](C)C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000224297924 382810326 /nfs/dbraw/zinc/81/03/26/382810326.db2.gz JGAZJRZLVKEBQC-UKRRQHHQSA-N 2 2 264.438 2.632 10 0 CFAELP C[N@H+](Cc1csc(-c2ccco2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231454502 382865172 /nfs/dbraw/zinc/86/51/72/382865172.db2.gz MGMAXTWAHPCIQF-CYBMUJFWSA-N 2 2 291.420 2.977 10 0 CFAELP C[N@@H+](Cc1csc(-c2ccco2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231454502 382865173 /nfs/dbraw/zinc/86/51/73/382865173.db2.gz MGMAXTWAHPCIQF-CYBMUJFWSA-N 2 2 291.420 2.977 10 0 CFAELP Cc1cc[nH+]c(NCC[C@H]2CC[NH2+]C2)c1Br ZINC000235933454 382890387 /nfs/dbraw/zinc/89/03/87/382890387.db2.gz UFLYAILWSCVLNT-SNVBAGLBSA-N 2 2 284.201 2.564 10 0 CFAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000247091733 383141888 /nfs/dbraw/zinc/14/18/88/383141888.db2.gz JMVIULIMRHLPNQ-SUMWQHHRSA-N 2 2 271.408 2.986 10 0 CFAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000247091733 383141892 /nfs/dbraw/zinc/14/18/92/383141892.db2.gz JMVIULIMRHLPNQ-SUMWQHHRSA-N 2 2 271.408 2.986 10 0 CFAELP CCN(CC)c1ccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000584463843 383105350 /nfs/dbraw/zinc/10/53/50/383105350.db2.gz JIKCJGMETSQSFC-ZIAGYGMSSA-N 2 2 276.428 2.728 10 0 CFAELP CC1(C)CC[C@H](C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)O1 ZINC000248547458 383257242 /nfs/dbraw/zinc/25/72/42/383257242.db2.gz GFKRTTTZEKBFIJ-LSDHHAIUSA-N 2 2 289.423 2.773 10 0 CFAELP CC1(C)CC[C@H](C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)O1 ZINC000248547458 383257247 /nfs/dbraw/zinc/25/72/47/383257247.db2.gz GFKRTTTZEKBFIJ-LSDHHAIUSA-N 2 2 289.423 2.773 10 0 CFAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH+]c2ccc(C)cn12 ZINC000248418572 383240237 /nfs/dbraw/zinc/24/02/37/383240237.db2.gz STVILNLTICAVOC-CVEARBPZSA-N 2 2 298.434 2.701 10 0 CFAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH+]c2ccc(C)cn12 ZINC000248418572 383240243 /nfs/dbraw/zinc/24/02/43/383240243.db2.gz STVILNLTICAVOC-CVEARBPZSA-N 2 2 298.434 2.701 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000250315516 383374651 /nfs/dbraw/zinc/37/46/51/383374651.db2.gz MJQUFCVOBOOSOC-CXAGYDPISA-N 2 2 289.423 2.780 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000250315516 383374656 /nfs/dbraw/zinc/37/46/56/383374656.db2.gz MJQUFCVOBOOSOC-CXAGYDPISA-N 2 2 289.423 2.780 10 0 CFAELP C[C@H]1C[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000634999337 383455113 /nfs/dbraw/zinc/45/51/13/383455113.db2.gz SOTJQNJYFLWLQE-ONGXEEELSA-N 2 2 290.304 2.871 10 0 CFAELP C[C@H]1C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000634999337 383455117 /nfs/dbraw/zinc/45/51/17/383455117.db2.gz SOTJQNJYFLWLQE-ONGXEEELSA-N 2 2 290.304 2.871 10 0 CFAELP C[C@H]1C[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000634999192 383456083 /nfs/dbraw/zinc/45/60/83/383456083.db2.gz RAVDZVQULSDKQW-ONGXEEELSA-N 2 2 290.304 2.871 10 0 CFAELP C[C@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000634999192 383456087 /nfs/dbraw/zinc/45/60/87/383456087.db2.gz RAVDZVQULSDKQW-ONGXEEELSA-N 2 2 290.304 2.871 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3coc(-c4cccs4)n3)C[C@H]12 ZINC000261664817 383539942 /nfs/dbraw/zinc/53/99/42/383539942.db2.gz FHZDXHDCZWUHBT-WCFLWFBJSA-N 2 2 289.404 2.572 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3coc(-c4cccs4)n3)C[C@H]12 ZINC000261664817 383539944 /nfs/dbraw/zinc/53/99/44/383539944.db2.gz FHZDXHDCZWUHBT-WCFLWFBJSA-N 2 2 289.404 2.572 10 0 CFAELP CCc1cccc(Cl)c1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261932738 383581197 /nfs/dbraw/zinc/58/11/97/383581197.db2.gz CWGFKTIKYTZMTA-IINYFYTJSA-N 2 2 252.789 2.681 10 0 CFAELP CCc1cccc(Cl)c1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261932738 383581202 /nfs/dbraw/zinc/58/12/02/383581202.db2.gz CWGFKTIKYTZMTA-IINYFYTJSA-N 2 2 252.789 2.681 10 0 CFAELP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@H]1[NH3+] ZINC000262019109 383596371 /nfs/dbraw/zinc/59/63/71/383596371.db2.gz NAFLRRCKOUNYLH-IINYFYTJSA-N 2 2 290.798 2.509 10 0 CFAELP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@H]1[NH3+] ZINC000262019109 383596373 /nfs/dbraw/zinc/59/63/73/383596373.db2.gz NAFLRRCKOUNYLH-IINYFYTJSA-N 2 2 290.798 2.509 10 0 CFAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000151299406 533414855 /nfs/dbraw/zinc/41/48/55/533414855.db2.gz PDMJZZUBSAAYEP-CZUORRHYSA-N 2 2 296.842 2.837 10 0 CFAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000183789266 393522869 /nfs/dbraw/zinc/52/28/69/393522869.db2.gz JBRDHZAZILOKPJ-KBPBESRZSA-N 2 2 286.460 2.673 10 0 CFAELP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H]1CC2CCC1CC2 ZINC000381745322 393567199 /nfs/dbraw/zinc/56/71/99/393567199.db2.gz VDVIEYQIKBNTSP-CHQKBHSXSA-N 2 2 250.430 2.885 10 0 CFAELP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H]1CC2CCC1CC2 ZINC000381745322 393567202 /nfs/dbraw/zinc/56/72/02/393567202.db2.gz VDVIEYQIKBNTSP-CHQKBHSXSA-N 2 2 250.430 2.885 10 0 CFAELP CCCC[C@H](C[NH3+])[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000041155903 134878399 /nfs/dbraw/zinc/87/83/99/134878399.db2.gz ATIXXVDXWOVLRU-MRXNPFEDSA-N 2 2 295.858 2.980 10 0 CFAELP Fc1ccccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177100913 542998655 /nfs/dbraw/zinc/99/86/55/542998655.db2.gz SBJIWMKEQMMQKN-AWEZNQCLSA-N 2 2 259.328 2.687 10 0 CFAELP Fc1ccccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177100913 542998658 /nfs/dbraw/zinc/99/86/58/542998658.db2.gz SBJIWMKEQMMQKN-AWEZNQCLSA-N 2 2 259.328 2.687 10 0 CFAELP Cc1cc[nH+]c(NCCC2CC[NH2+]CC2)c1Br ZINC000650310967 397751458 /nfs/dbraw/zinc/75/14/58/397751458.db2.gz HGLVLJAEWBJOLR-UHFFFAOYSA-N 2 2 298.228 2.954 10 0 CFAELP [NH3+]C[C@@H](c1cccs1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000020225353 171087689 /nfs/dbraw/zinc/08/76/89/171087689.db2.gz ITQRRJWQLLUFIZ-HNNXBMFYSA-N 3 2 293.480 2.556 10 0 CFAELP COc1cccc([C@H](C[NH3+])[N@H+](C)CC(C)(C)C)c1 ZINC000020225833 171090200 /nfs/dbraw/zinc/09/02/00/171090200.db2.gz WAIXTKCVFRHMCX-AWEZNQCLSA-N 2 2 250.386 2.673 10 0 CFAELP COc1cccc([C@H](C[NH3+])[N@@H+](C)CC(C)(C)C)c1 ZINC000020225833 171090202 /nfs/dbraw/zinc/09/02/02/171090202.db2.gz WAIXTKCVFRHMCX-AWEZNQCLSA-N 2 2 250.386 2.673 10 0 CFAELP CCCOc1cccc([C@H](C[NH3+])[N@H+](C)CCC)c1 ZINC000020226615 171091930 /nfs/dbraw/zinc/09/19/30/171091930.db2.gz CCOSFHNBOZEJOY-HNNXBMFYSA-N 2 2 250.386 2.817 10 0 CFAELP CCCOc1cccc([C@H](C[NH3+])[N@@H+](C)CCC)c1 ZINC000020226615 171091931 /nfs/dbraw/zinc/09/19/31/171091931.db2.gz CCOSFHNBOZEJOY-HNNXBMFYSA-N 2 2 250.386 2.817 10 0 CFAELP C[C@@H](COCc1ccccc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657378862 413525047 /nfs/dbraw/zinc/52/50/47/413525047.db2.gz MZAKUIRZGYEIMF-AWEZNQCLSA-N 2 2 285.391 2.524 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1c(F)cccc1Cl ZINC000035504277 172238253 /nfs/dbraw/zinc/23/82/53/172238253.db2.gz RWMLRQZXIVEPGP-SNVBAGLBSA-N 2 2 253.708 2.705 10 0 CFAELP [NH3+][C@@H](Cc1c[nH+]c[nH]1)c1nc2cccc(Cl)c2s1 ZINC000037206047 173027704 /nfs/dbraw/zinc/02/77/04/173027704.db2.gz VJUUAVAMRYSUCK-VIFPVBQESA-N 2 2 278.768 2.915 10 0 CFAELP [NH3+][C@@H](Cc1c[nH]c[nH+]1)c1nc2cccc(Cl)c2s1 ZINC000037206047 173027705 /nfs/dbraw/zinc/02/77/05/173027705.db2.gz VJUUAVAMRYSUCK-VIFPVBQESA-N 2 2 278.768 2.915 10 0 CFAELP Cc1cc(C)c(C[NH2+][C@@H]2C[NH+]3CCC2CC3)cc1C ZINC000037211700 173032697 /nfs/dbraw/zinc/03/26/97/173032697.db2.gz VAFPBVHIRQZZBP-QGZVFWFLSA-N 2 2 258.409 2.796 10 0 CFAELP CC[NH+](CC)CCC[NH2+]Cc1ccc(CSC)o1 ZINC000037211055 173032827 /nfs/dbraw/zinc/03/28/27/173032827.db2.gz IHCMMPIYSXUUDX-UHFFFAOYSA-N 2 2 270.442 2.964 10 0 CFAELP CC[N@H+](CC(C)C)[C@H](C[NH3+])c1cc(F)ccc1F ZINC000037233630 173052773 /nfs/dbraw/zinc/05/27/73/173052773.db2.gz LMUOEQWDWCQUPV-CQSZACIVSA-N 2 2 256.340 2.943 10 0 CFAELP CC[N@@H+](CC(C)C)[C@H](C[NH3+])c1cc(F)ccc1F ZINC000037233630 173052775 /nfs/dbraw/zinc/05/27/75/173052775.db2.gz LMUOEQWDWCQUPV-CQSZACIVSA-N 2 2 256.340 2.943 10 0 CFAELP CC(C)[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363872 173152307 /nfs/dbraw/zinc/15/23/07/173152307.db2.gz BVWDCZJHNJBAQL-WFASDCNBSA-N 2 2 262.397 2.598 10 0 CFAELP CC(C)[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363872 173152309 /nfs/dbraw/zinc/15/23/09/173152309.db2.gz BVWDCZJHNJBAQL-WFASDCNBSA-N 2 2 262.397 2.598 10 0 CFAELP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3ccccc3s2)C1 ZINC000038090436 174104143 /nfs/dbraw/zinc/10/41/43/174104143.db2.gz QQNGQFZVUXQVRR-LBPRGKRZSA-N 2 2 275.421 2.728 10 0 CFAELP CC[N@H+]1CC[C@@H](C[NH2+]Cc2nc3ccccc3s2)C1 ZINC000038090436 174104146 /nfs/dbraw/zinc/10/41/46/174104146.db2.gz QQNGQFZVUXQVRR-LBPRGKRZSA-N 2 2 275.421 2.728 10 0 CFAELP CC[NH+](CC)CC[NH2+][C@H]1CCc2[nH]c3ccccc3c2C1 ZINC000039214006 174166308 /nfs/dbraw/zinc/16/63/08/174166308.db2.gz TZTDKXLAAVJOEA-AWEZNQCLSA-N 2 2 285.435 2.957 10 0 CFAELP C[C@@H]1C[C@H](C)C[N@H+]([C@H](C[NH3+])c2ccccc2F)C1 ZINC000039789056 174173096 /nfs/dbraw/zinc/17/30/96/174173096.db2.gz TUWRRJGCITWUKF-TYNCELHUSA-N 2 2 250.361 2.803 10 0 CFAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C[NH3+])c2ccccc2F)C1 ZINC000039789056 174173098 /nfs/dbraw/zinc/17/30/98/174173098.db2.gz TUWRRJGCITWUKF-TYNCELHUSA-N 2 2 250.361 2.803 10 0 CFAELP C[NH2+]C[C@@H](c1ccc(OC(C)C)cc1)[NH+]1CCCC1 ZINC000039795620 174173299 /nfs/dbraw/zinc/17/32/99/174173299.db2.gz CDSJIQZLKCDFND-INIZCTEOSA-N 2 2 262.397 2.830 10 0 CFAELP NC(=[NH2+])c1cccc(Cn2cc[nH+]c2-c2ccccc2)c1 ZINC000040228442 174208852 /nfs/dbraw/zinc/20/88/52/174208852.db2.gz VQGJRJSELMHVLG-UHFFFAOYSA-N 2 2 276.343 2.882 10 0 CFAELP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1ccc(O)cc1 ZINC000040502240 174297967 /nfs/dbraw/zinc/29/79/67/174297967.db2.gz VDSOLDSNYHQHBR-GDBMZVCRSA-N 2 2 262.397 2.917 10 0 CFAELP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1ccc(O)cc1 ZINC000040502240 174297969 /nfs/dbraw/zinc/29/79/69/174297969.db2.gz VDSOLDSNYHQHBR-GDBMZVCRSA-N 2 2 262.397 2.917 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000040502875 174298629 /nfs/dbraw/zinc/29/86/29/174298629.db2.gz FTKOGTYVNOADOM-SJORKVTESA-N 2 2 258.409 2.618 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000040502875 174298630 /nfs/dbraw/zinc/29/86/30/174298630.db2.gz FTKOGTYVNOADOM-SJORKVTESA-N 2 2 258.409 2.618 10 0 CFAELP COC1CC[NH+]([C@@H](C[NH3+])c2cccc(OC(C)C)c2)CC1 ZINC000040641133 174364291 /nfs/dbraw/zinc/36/42/91/174364291.db2.gz PTDKFZGVZKSVFG-KRWDZBQOSA-N 2 2 292.423 2.584 10 0 CFAELP CC(C)Oc1cccc([C@@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)c1 ZINC000040641119 174364531 /nfs/dbraw/zinc/36/45/31/174364531.db2.gz VZJVPACDJVKQGU-GDBMZVCRSA-N 2 2 294.464 2.911 10 0 CFAELP CC(C)Oc1cccc([C@@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000040641119 174364532 /nfs/dbraw/zinc/36/45/32/174364532.db2.gz VZJVPACDJVKQGU-GDBMZVCRSA-N 2 2 294.464 2.911 10 0 CFAELP COc1ccc(C2CC([NH2+][C@@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000040672788 174371636 /nfs/dbraw/zinc/37/16/36/174371636.db2.gz SKAKJWGXKZWZMY-HWOWSKLDSA-N 2 2 274.408 2.625 10 0 CFAELP COc1ccc(C2CC([NH2+][C@@H]3CCC[N@@H+](C)C3)C2)cc1 ZINC000040672788 174371638 /nfs/dbraw/zinc/37/16/38/174371638.db2.gz SKAKJWGXKZWZMY-HWOWSKLDSA-N 2 2 274.408 2.625 10 0 CFAELP CCOC1CC[NH+]([C@@H](C[NH3+])c2sccc2C)CC1 ZINC000040689135 174375711 /nfs/dbraw/zinc/37/57/11/174375711.db2.gz CULANQXZHZJWKB-ZDUSSCGKSA-N 2 2 268.426 2.557 10 0 CFAELP CCC[N@H+](Cc1nc(C)c(C)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748534 174394133 /nfs/dbraw/zinc/39/41/33/174394133.db2.gz WMCMWWGGPKQTFI-YIONKMFJSA-N 2 2 277.412 2.786 10 0 CFAELP CCC[N@@H+](Cc1nc(C)c(C)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748534 174394135 /nfs/dbraw/zinc/39/41/35/174394135.db2.gz WMCMWWGGPKQTFI-YIONKMFJSA-N 2 2 277.412 2.786 10 0 CFAELP CCCc1cc(N[C@@H]2CC[NH2+]C3(CCC3)C2)nc[nH+]1 ZINC000040765793 174397660 /nfs/dbraw/zinc/39/76/60/174397660.db2.gz VLZULFMATMPGMW-CYBMUJFWSA-N 2 2 260.385 2.516 10 0 CFAELP CCCc1cc(NCC[NH+](C(C)C)C(C)C)nc[nH+]1 ZINC000040765538 174397838 /nfs/dbraw/zinc/39/78/38/174397838.db2.gz DOSPECQHENPEBP-UHFFFAOYSA-N 2 2 264.417 2.960 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+](CCOC)CC(C)C ZINC000043335920 175012225 /nfs/dbraw/zinc/01/22/25/175012225.db2.gz HDGFOWBLVLFTSR-HIFRSBDPSA-N 2 2 268.401 2.662 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+](CCOC)CC(C)C ZINC000043335920 175012226 /nfs/dbraw/zinc/01/22/26/175012226.db2.gz HDGFOWBLVLFTSR-HIFRSBDPSA-N 2 2 268.401 2.662 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043345754 175016695 /nfs/dbraw/zinc/01/66/95/175016695.db2.gz CFQMXLDAZKEVSQ-OCVGTWLNSA-N 2 2 261.413 2.838 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043345754 175016696 /nfs/dbraw/zinc/01/66/96/175016696.db2.gz CFQMXLDAZKEVSQ-OCVGTWLNSA-N 2 2 261.413 2.838 10 0 CFAELP CCC1CCC([N@H+](C)[C@H](C[NH3+])c2ccncc2)CC1 ZINC000043354301 175021153 /nfs/dbraw/zinc/02/11/53/175021153.db2.gz KTVYVWQTFHKABK-AVVWSFFYSA-N 2 2 261.413 2.982 10 0 CFAELP CCC1CCC([N@@H+](C)[C@H](C[NH3+])c2ccncc2)CC1 ZINC000043354301 175021154 /nfs/dbraw/zinc/02/11/54/175021154.db2.gz KTVYVWQTFHKABK-AVVWSFFYSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+](C)CC1CCCCC1 ZINC000043354248 175021248 /nfs/dbraw/zinc/02/12/48/175021248.db2.gz UUIBUXYRMQRREL-CJNGLKHVSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](C)CC1CCCCC1 ZINC000043354248 175021250 /nfs/dbraw/zinc/02/12/50/175021250.db2.gz UUIBUXYRMQRREL-CJNGLKHVSA-N 2 2 261.413 2.982 10 0 CFAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)CCc2ccccn2)o1 ZINC000043363920 175025089 /nfs/dbraw/zinc/02/50/89/175025089.db2.gz CKMQNIYAOGBHON-CZUORRHYSA-N 2 2 273.380 2.546 10 0 CFAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)CCc2ccccn2)o1 ZINC000043363920 175025090 /nfs/dbraw/zinc/02/50/90/175025090.db2.gz CKMQNIYAOGBHON-CZUORRHYSA-N 2 2 273.380 2.546 10 0 CFAELP CCOC1CC[NH+]([C@H](c2ccc(C)o2)[C@@H]([NH3+])CC)CC1 ZINC000043364576 175025288 /nfs/dbraw/zinc/02/52/88/175025288.db2.gz BTSUBGBNKLZXIX-HOCLYGCPSA-N 2 2 280.412 2.867 10 0 CFAELP CCC(CC)[N@@H+](CCO)[C@@H](c1ccc(C)o1)[C@H]([NH3+])CC ZINC000043365186 175026249 /nfs/dbraw/zinc/02/62/49/175026249.db2.gz INDFVPCJTPUFLY-GDBMZVCRSA-N 2 2 282.428 2.849 10 0 CFAELP CCC(CC)[N@H+](CCO)[C@@H](c1ccc(C)o1)[C@H]([NH3+])CC ZINC000043365186 175026250 /nfs/dbraw/zinc/02/62/50/175026250.db2.gz INDFVPCJTPUFLY-GDBMZVCRSA-N 2 2 282.428 2.849 10 0 CFAELP Cc1cc(C)cc([C@@H](C[NH3+])[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000043394454 175034970 /nfs/dbraw/zinc/03/49/70/175034970.db2.gz XJTVJIBZSJQYTN-GOSISDBHSA-N 3 2 289.467 2.577 10 0 CFAELP Cc1cc(C)cc([C@H](C[NH3+])[N@H+](C)CCc2ccncc2)c1 ZINC000043394230 175035204 /nfs/dbraw/zinc/03/52/04/175035204.db2.gz UIARPVZLJCOYPW-SFHVURJKSA-N 2 2 283.419 2.873 10 0 CFAELP Cc1cc(C)cc([C@H](C[NH3+])[N@@H+](C)CCc2ccncc2)c1 ZINC000043394230 175035205 /nfs/dbraw/zinc/03/52/05/175035205.db2.gz UIARPVZLJCOYPW-SFHVURJKSA-N 2 2 283.419 2.873 10 0 CFAELP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1F ZINC000043458829 175050322 /nfs/dbraw/zinc/05/03/22/175050322.db2.gz KSXTVOURPRHBES-GHMZBOCLSA-N 2 2 254.324 2.524 10 0 CFAELP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1F ZINC000043458829 175050323 /nfs/dbraw/zinc/05/03/23/175050323.db2.gz KSXTVOURPRHBES-GHMZBOCLSA-N 2 2 254.324 2.524 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[NH+]1CCCCCCC1)OCCO2 ZINC000043819244 175113646 /nfs/dbraw/zinc/11/36/46/175113646.db2.gz ICAHUEFQTIJZQT-HOTGVXAUSA-N 2 2 296.455 2.526 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@H+](C)Cc1ccncc1 ZINC000043893827 175118408 /nfs/dbraw/zinc/11/84/08/175118408.db2.gz KBUNJMXNPVHSAY-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+](C)Cc1ccncc1 ZINC000043893827 175118410 /nfs/dbraw/zinc/11/84/10/175118410.db2.gz KBUNJMXNPVHSAY-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@@H](C)c1ccc(OC)c(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000043891670 175118559 /nfs/dbraw/zinc/11/85/59/175118559.db2.gz IGLQKOXHQKBYIK-KBPBESRZSA-N 2 2 292.423 2.586 10 0 CFAELP CC[NH2+][C@@H](C)c1ccc(OC)c(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000043891670 175118560 /nfs/dbraw/zinc/11/85/60/175118560.db2.gz IGLQKOXHQKBYIK-KBPBESRZSA-N 2 2 292.423 2.586 10 0 CFAELP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897985 175120516 /nfs/dbraw/zinc/12/05/16/175120516.db2.gz KJAWTULJNBPXRQ-KKUMJFAQSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897985 175120518 /nfs/dbraw/zinc/12/05/18/175120518.db2.gz KJAWTULJNBPXRQ-KKUMJFAQSA-N 2 2 268.445 2.654 10 0 CFAELP C[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+]2CCOC(C)(C)C2)c1 ZINC000043897773 175120588 /nfs/dbraw/zinc/12/05/88/175120588.db2.gz OOACFNJJANZWFF-CYBMUJFWSA-N 2 2 292.423 2.586 10 0 CFAELP C[NH2+][C@H](C)c1ccc(OC)c(C[N@H+]2CCOC(C)(C)C2)c1 ZINC000043897773 175120589 /nfs/dbraw/zinc/12/05/89/175120589.db2.gz OOACFNJJANZWFF-CYBMUJFWSA-N 2 2 292.423 2.586 10 0 CFAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](C)CCc1ccncc1 ZINC000043902041 175121802 /nfs/dbraw/zinc/12/18/02/175121802.db2.gz UHOJWBWMESIZPL-XIRDDKMYSA-N 2 2 275.440 2.723 10 0 CFAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902041 175121804 /nfs/dbraw/zinc/12/18/04/175121804.db2.gz UHOJWBWMESIZPL-XIRDDKMYSA-N 2 2 275.440 2.723 10 0 CFAELP CCC[NH2+][C@@H]1c2ccccc2OC[C@@H]1[N@@H+]1CCC[C@@H]1C ZINC000043903869 175122506 /nfs/dbraw/zinc/12/25/06/175122506.db2.gz WBFPHMISZLJFRX-JLJPHGGASA-N 2 2 274.408 2.973 10 0 CFAELP CCC[NH2+][C@@H]1c2ccccc2OC[C@@H]1[N@H+]1CCC[C@@H]1C ZINC000043903869 175122507 /nfs/dbraw/zinc/12/25/07/175122507.db2.gz WBFPHMISZLJFRX-JLJPHGGASA-N 2 2 274.408 2.973 10 0 CFAELP CCC[NH2+][C@H](C)[C@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000043912059 175123594 /nfs/dbraw/zinc/12/35/94/175123594.db2.gz WPRSHXXPVKIJSH-KGLIPLIRSA-N 2 2 264.413 2.904 10 0 CFAELP CCC[NH2+][C@H](C)[C@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000043912059 175123596 /nfs/dbraw/zinc/12/35/96/175123596.db2.gz WPRSHXXPVKIJSH-KGLIPLIRSA-N 2 2 264.413 2.904 10 0 CFAELP CC[C@H]([NH2+]C)[C@@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000043911814 175123850 /nfs/dbraw/zinc/12/38/50/175123850.db2.gz WUBGHJFBBUHHRD-DOMZBBRYSA-N 2 2 250.386 2.514 10 0 CFAELP CC[C@H]([NH2+]C)[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911814 175123851 /nfs/dbraw/zinc/12/38/51/175123851.db2.gz WUBGHJFBBUHHRD-DOMZBBRYSA-N 2 2 250.386 2.514 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000043914078 175124533 /nfs/dbraw/zinc/12/45/33/175124533.db2.gz YOWRMQDBTWCRMG-FXUDXRNXSA-N 2 2 268.445 2.797 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000043914078 175124535 /nfs/dbraw/zinc/12/45/35/175124535.db2.gz YOWRMQDBTWCRMG-FXUDXRNXSA-N 2 2 268.445 2.797 10 0 CFAELP CC[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)[N@H+](C)CCOC ZINC000043915958 175125179 /nfs/dbraw/zinc/12/51/79/175125179.db2.gz IOGJZSSPINNMDV-ZBFHGGJFSA-N 2 2 264.413 2.612 10 0 CFAELP CC[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)[N@@H+](C)CCOC ZINC000043915958 175125181 /nfs/dbraw/zinc/12/51/81/175125181.db2.gz IOGJZSSPINNMDV-ZBFHGGJFSA-N 2 2 264.413 2.612 10 0 CFAELP C[NH2+][C@@H](C)c1ccc(OC)c(C[N@@H+]2CCOCC2(C)C)c1 ZINC000043916882 175125622 /nfs/dbraw/zinc/12/56/22/175125622.db2.gz IWNBMXDBOQPKLV-ZDUSSCGKSA-N 2 2 292.423 2.586 10 0 CFAELP C[NH2+][C@@H](C)c1ccc(OC)c(C[N@H+]2CCOCC2(C)C)c1 ZINC000043916882 175125624 /nfs/dbraw/zinc/12/56/24/175125624.db2.gz IWNBMXDBOQPKLV-ZDUSSCGKSA-N 2 2 292.423 2.586 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@@H+]1CCOCC1(C)C ZINC000043917096 175125862 /nfs/dbraw/zinc/12/58/62/175125862.db2.gz GLCLVDXYLUQVDA-UONOGXRCSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@H+]1CCOCC1(C)C ZINC000043917096 175125863 /nfs/dbraw/zinc/12/58/63/175125863.db2.gz GLCLVDXYLUQVDA-UONOGXRCSA-N 2 2 256.434 2.654 10 0 CFAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043965881 175127431 /nfs/dbraw/zinc/12/74/31/175127431.db2.gz YRUTXVPMMCZHLT-HYVNUMGLSA-N 2 2 276.424 2.755 10 0 CFAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043965881 175127433 /nfs/dbraw/zinc/12/74/33/175127433.db2.gz YRUTXVPMMCZHLT-HYVNUMGLSA-N 2 2 276.424 2.755 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966381 175127943 /nfs/dbraw/zinc/12/79/43/175127943.db2.gz WSZUBNPCTAOIAE-XHSDSOJGSA-N 2 2 268.445 2.798 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966381 175127945 /nfs/dbraw/zinc/12/79/45/175127945.db2.gz WSZUBNPCTAOIAE-XHSDSOJGSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1c2ccccc2C[C@@H]1[N@H+](CC)CCOC ZINC000043968774 175129631 /nfs/dbraw/zinc/12/96/31/175129631.db2.gz KEFHCMBRLCECNU-IRXDYDNUSA-N 2 2 276.424 2.620 10 0 CFAELP CCC[NH2+][C@H]1c2ccccc2C[C@@H]1[N@@H+](CC)CCOC ZINC000043968774 175129632 /nfs/dbraw/zinc/12/96/32/175129632.db2.gz KEFHCMBRLCECNU-IRXDYDNUSA-N 2 2 276.424 2.620 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2CC[C@H]1[N@H+](CC)CCOC ZINC000043968711 175129868 /nfs/dbraw/zinc/12/98/68/175129868.db2.gz ITLSXTFOGXFUGQ-IAGOWNOFSA-N 2 2 276.424 2.620 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2CC[C@H]1[N@@H+](CC)CCOC ZINC000043968711 175129869 /nfs/dbraw/zinc/12/98/69/175129869.db2.gz ITLSXTFOGXFUGQ-IAGOWNOFSA-N 2 2 276.424 2.620 10 0 CFAELP CC[N@H+](CCOC)C[C@@H]([NH2+]C)C12CC3CC(CC(C3)C1)C2 ZINC000043968520 175129919 /nfs/dbraw/zinc/12/99/19/175129919.db2.gz ZNYRLARRZPVCJT-AWDGRILASA-N 2 2 294.483 2.759 10 0 CFAELP CC[N@@H+](CCOC)C[C@@H]([NH2+]C)C12CC3CC(CC(C3)C1)C2 ZINC000043968520 175129920 /nfs/dbraw/zinc/12/99/20/175129920.db2.gz ZNYRLARRZPVCJT-AWDGRILASA-N 2 2 294.483 2.759 10 0 CFAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)[N@H+](C)[C@@H](C)COC ZINC000043969095 175130292 /nfs/dbraw/zinc/13/02/92/175130292.db2.gz DEVUOXLKQMRDIM-SQWLQELKSA-N 2 2 264.413 2.611 10 0 CFAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)[N@@H+](C)[C@@H](C)COC ZINC000043969095 175130294 /nfs/dbraw/zinc/13/02/94/175130294.db2.gz DEVUOXLKQMRDIM-SQWLQELKSA-N 2 2 264.413 2.611 10 0 CFAELP CC[C@H]([C@@H]([NH2+]C)c1ccccc1)[N@H+](CCOC)C1CC1 ZINC000043969807 175131386 /nfs/dbraw/zinc/13/13/86/175131386.db2.gz VBUPEQVMBKXRCL-SJORKVTESA-N 2 2 276.424 2.837 10 0 CFAELP CC[C@H]([C@@H]([NH2+]C)c1ccccc1)[N@@H+](CCOC)C1CC1 ZINC000043969807 175131388 /nfs/dbraw/zinc/13/13/88/175131388.db2.gz VBUPEQVMBKXRCL-SJORKVTESA-N 2 2 276.424 2.837 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@H]1[N@H+](C)[C@@H](C)CC(C)C ZINC000043973043 175132668 /nfs/dbraw/zinc/13/26/68/175132668.db2.gz PTKOOHJHJXOMTK-SOUVJXGZSA-N 2 2 256.434 2.510 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@H]1[N@@H+](C)[C@@H](C)CC(C)C ZINC000043973043 175132670 /nfs/dbraw/zinc/13/26/70/175132670.db2.gz PTKOOHJHJXOMTK-SOUVJXGZSA-N 2 2 256.434 2.510 10 0 CFAELP CC[N@H+](C[C@@H]([NH2+]C)c1ccc(C)c(C)c1)[C@@H](C)COC ZINC000043981135 175133965 /nfs/dbraw/zinc/13/39/65/175133965.db2.gz TUIBQPNGGUFWOJ-DOTOQJQBSA-N 2 2 278.440 2.921 10 0 CFAELP CC[N@@H+](C[C@@H]([NH2+]C)c1ccc(C)c(C)c1)[C@@H](C)COC ZINC000043981135 175133966 /nfs/dbraw/zinc/13/39/66/175133966.db2.gz TUIBQPNGGUFWOJ-DOTOQJQBSA-N 2 2 278.440 2.921 10 0 CFAELP CC[NH2+][C@@H](C)c1ccc(OC)c(Cn2cc[nH+]c2)c1 ZINC000043992560 175135642 /nfs/dbraw/zinc/13/56/42/175135642.db2.gz UEKGZRXNICZAKZ-LBPRGKRZSA-N 2 2 259.353 2.611 10 0 CFAELP C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(OC(C)C)cc1 ZINC000043993268 175136488 /nfs/dbraw/zinc/13/64/88/175136488.db2.gz RGOVJAOZGBLSQN-HNNXBMFYSA-N 2 2 259.353 2.631 10 0 CFAELP C[NH2+][C@@H](Cn1cc[nH+]c1C(C)C)c1ccc2c(c1)OCO2 ZINC000043997967 175136829 /nfs/dbraw/zinc/13/68/29/175136829.db2.gz OINQBOAZCYKYKC-ZDUSSCGKSA-N 2 2 287.363 2.696 10 0 CFAELP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C)c1 ZINC000044561353 175204777 /nfs/dbraw/zinc/20/47/77/175204777.db2.gz SOWYUBYWINKYLL-GUYCJALGSA-N 2 2 289.423 2.780 10 0 CFAELP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C)c1 ZINC000044561353 175204779 /nfs/dbraw/zinc/20/47/79/175204779.db2.gz SOWYUBYWINKYLL-GUYCJALGSA-N 2 2 289.423 2.780 10 0 CFAELP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C)cc1 ZINC000044561618 175205101 /nfs/dbraw/zinc/20/51/01/175205101.db2.gz PRNOGGMGTXRDQE-UKRRQHHQSA-N 2 2 262.397 2.830 10 0 CFAELP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C)cc1 ZINC000044561618 175205102 /nfs/dbraw/zinc/20/51/02/175205102.db2.gz PRNOGGMGTXRDQE-UKRRQHHQSA-N 2 2 262.397 2.830 10 0 CFAELP Cc1cc(NC[C@@H]2CCCC[N@@H+]2C)nc(C(C)C)[nH+]1 ZINC000044563291 175206944 /nfs/dbraw/zinc/20/69/44/175206944.db2.gz LIPXVJXIKAGKAN-ZDUSSCGKSA-N 2 2 262.401 2.805 10 0 CFAELP Cc1cc(NC[C@@H]2CCCC[N@H+]2C)nc(C(C)C)[nH+]1 ZINC000044563291 175206945 /nfs/dbraw/zinc/20/69/45/175206945.db2.gz LIPXVJXIKAGKAN-ZDUSSCGKSA-N 2 2 262.401 2.805 10 0 CFAELP Nc1cc2ccccc2cc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044679461 175228289 /nfs/dbraw/zinc/22/82/89/175228289.db2.gz STGGQKCHLZRUJI-MRXNPFEDSA-N 2 2 281.403 2.748 10 0 CFAELP Nc1cc2ccccc2cc1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044679461 175228291 /nfs/dbraw/zinc/22/82/91/175228291.db2.gz STGGQKCHLZRUJI-MRXNPFEDSA-N 2 2 281.403 2.748 10 0 CFAELP COc1ccccc1C1CC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000044686031 175231556 /nfs/dbraw/zinc/23/15/56/175231556.db2.gz KXSOWJKCVPXPQY-SHARSMKWSA-N 2 2 286.419 2.768 10 0 CFAELP COc1ccccc1C1CC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000044686031 175231557 /nfs/dbraw/zinc/23/15/57/175231557.db2.gz KXSOWJKCVPXPQY-SHARSMKWSA-N 2 2 286.419 2.768 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[NH+]1CCCCCCC1)[NH2+]C ZINC000045371426 175364325 /nfs/dbraw/zinc/36/43/25/175364325.db2.gz RYIAYIIEDUUWMD-KRWDZBQOSA-N 2 2 298.471 2.964 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)[NH2+]C ZINC000045376072 175366538 /nfs/dbraw/zinc/36/65/38/175366538.db2.gz CHRJACGALMLPKM-GOEBONIOSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[N@H+]1CCCC[C@@H]1C)[NH2+]C ZINC000045376072 175366539 /nfs/dbraw/zinc/36/65/39/175366539.db2.gz CHRJACGALMLPKM-GOEBONIOSA-N 2 2 284.444 2.572 10 0 CFAELP CC[NH2+][C@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045376081 175366624 /nfs/dbraw/zinc/36/66/24/175366624.db2.gz GSMLHARSVCNXRM-DOTOQJQBSA-N 2 2 298.471 2.962 10 0 CFAELP CC[NH2+][C@](C)(CCCC[N@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045376081 175366625 /nfs/dbraw/zinc/36/66/25/175366625.db2.gz GSMLHARSVCNXRM-DOTOQJQBSA-N 2 2 298.471 2.962 10 0 CFAELP COC(=O)[C@](C)(CCCC[N@@H+]1CCC[C@@H](C)C1)[NH2+]C(C)C ZINC000045377211 175366821 /nfs/dbraw/zinc/36/68/21/175366821.db2.gz OWQKOTADHPTXGY-WBVHZDCISA-N 2 2 298.471 2.818 10 0 CFAELP COC(=O)[C@](C)(CCCC[N@H+]1CCC[C@@H](C)C1)[NH2+]C(C)C ZINC000045377211 175366823 /nfs/dbraw/zinc/36/68/23/175366823.db2.gz OWQKOTADHPTXGY-WBVHZDCISA-N 2 2 298.471 2.818 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[NH+]1CCCCCC1)[NH2+]C(C)C ZINC000045377554 175367052 /nfs/dbraw/zinc/36/70/52/175367052.db2.gz DICNVWFSKNRZQK-QGZVFWFLSA-N 2 2 298.471 2.962 10 0 CFAELP CC[NH2+][C@](C)(CCC[NH+]1CCCCCC1)C(=O)OCC ZINC000045377535 175367169 /nfs/dbraw/zinc/36/71/69/175367169.db2.gz BCUXYGRRAHAWAG-MRXNPFEDSA-N 2 2 284.444 2.574 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379735 175369033 /nfs/dbraw/zinc/36/90/33/175369033.db2.gz ZJYPCLPJBOMTIC-UXLLHSPISA-N 2 2 298.471 2.961 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379735 175369034 /nfs/dbraw/zinc/36/90/34/175369034.db2.gz ZJYPCLPJBOMTIC-UXLLHSPISA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@H+](C)C(CC)CC)[NH2+]C1CC1 ZINC000045391673 175374771 /nfs/dbraw/zinc/37/47/71/175374771.db2.gz YOICVZFFAVIWQS-KRWDZBQOSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@@H+](C)C(CC)CC)[NH2+]C1CC1 ZINC000045391673 175374772 /nfs/dbraw/zinc/37/47/72/175374772.db2.gz YOICVZFFAVIWQS-KRWDZBQOSA-N 2 2 298.471 2.961 10 0 CFAELP c1[nH]cc(CC[NH2+]Cc2cccc3ccccc32)[nH+]1 ZINC000045946219 175388070 /nfs/dbraw/zinc/38/80/70/175388070.db2.gz KNUUXVBCDLOQHB-UHFFFAOYSA-N 2 2 251.333 2.895 10 0 CFAELP c1[nH]c(CC[NH2+]Cc2cccc3ccccc32)c[nH+]1 ZINC000045946219 175388071 /nfs/dbraw/zinc/38/80/71/175388071.db2.gz KNUUXVBCDLOQHB-UHFFFAOYSA-N 2 2 251.333 2.895 10 0 CFAELP CC(C)COc1ccc([C@H]([C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000071572705 176198908 /nfs/dbraw/zinc/19/89/08/176198908.db2.gz BQTYFOPHWFBYTL-DOMZBBRYSA-N 2 2 250.386 2.671 10 0 CFAELP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)C(C)(C)C ZINC000390714602 262244213 /nfs/dbraw/zinc/24/42/13/262244213.db2.gz BUHRZAPFZNQGQL-ZBFHGGJFSA-N 2 2 278.440 2.504 10 0 CFAELP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)C(C)(C)C ZINC000390714602 262244214 /nfs/dbraw/zinc/24/42/14/262244214.db2.gz BUHRZAPFZNQGQL-ZBFHGGJFSA-N 2 2 278.440 2.504 10 0 CFAELP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1F ZINC000396572315 270315237 /nfs/dbraw/zinc/31/52/37/270315237.db2.gz YNXLAUODEQMPMN-MISXGVKJSA-N 2 2 266.360 2.625 10 0 CFAELP CC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1cccs1 ZINC000133910602 276587759 /nfs/dbraw/zinc/58/77/59/276587759.db2.gz OYECPAQDDSSDSK-XQQFMLRXSA-N 2 2 268.426 2.556 10 0 CFAELP CC(C)c1[nH+]c2c(n1C)CCN(c1[nH]c3ccccc3[nH+]1)C2 ZINC000134961582 278076236 /nfs/dbraw/zinc/07/62/36/278076236.db2.gz XUVAEQVUFWDSIB-UHFFFAOYSA-N 2 2 295.390 2.983 10 0 CFAELP CCn1nc(C)c([C@H](C)[NH2+]CCCCn2cc[nH+]c2)c1C ZINC000045172910 280424119 /nfs/dbraw/zinc/42/41/19/280424119.db2.gz DNRBZXGIGDFYBK-ZDUSSCGKSA-N 2 2 289.427 2.847 10 0 CFAELP COc1cccc(F)c1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000135093620 280767146 /nfs/dbraw/zinc/76/71/46/280767146.db2.gz SDYLKXPLMVVYSI-ZDUSSCGKSA-N 2 2 280.387 2.971 10 0 CFAELP CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396614092 281196309 /nfs/dbraw/zinc/19/63/09/281196309.db2.gz ALUNRFXDAJVLAF-ZENOOKHLSA-N 2 2 262.397 2.876 10 0 CFAELP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)s1 ZINC000396703826 281197316 /nfs/dbraw/zinc/19/73/16/281197316.db2.gz IACDMELCQDSXPZ-PTOFAABTSA-N 2 2 253.415 2.551 10 0 CFAELP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000224419947 289365445 /nfs/dbraw/zinc/36/54/45/289365445.db2.gz UDRQJNMITPOYCH-HZMVEIRTSA-N 2 2 288.435 2.692 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1C[C@H](C[NH3+])C[C@@H]1C ZINC000216235025 328127664 /nfs/dbraw/zinc/12/76/64/328127664.db2.gz SEMNIIJTNJBBIQ-STQMWFEESA-N 2 2 255.365 2.717 10 0 CFAELP CC[N@H+](CC(C)C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596584 520414041 /nfs/dbraw/zinc/41/40/41/520414041.db2.gz SXFMIYKMUOKUGT-HNNXBMFYSA-N 2 2 264.413 2.981 10 0 CFAELP CC[N@@H+](CC(C)C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596584 520414047 /nfs/dbraw/zinc/41/40/47/520414047.db2.gz SXFMIYKMUOKUGT-HNNXBMFYSA-N 2 2 264.413 2.981 10 0 CFAELP CC(C)(C)[NH2+]Cc1nc(C[NH+]2CCCC2)cs1 ZINC000052377282 518768583 /nfs/dbraw/zinc/76/85/83/518768583.db2.gz QCTMTHZYFLMKMK-UHFFFAOYSA-N 2 2 253.415 2.627 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]CCCOCC(F)(F)F ZINC000049555562 519339596 /nfs/dbraw/zinc/33/95/96/519339596.db2.gz KKCULGAJFOPTGL-GFCCVEGCSA-N 2 2 284.366 2.521 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H](C)c1ccc(O)cc1 ZINC000049195581 519793979 /nfs/dbraw/zinc/79/39/79/519793979.db2.gz TWGJDGOKERVTBC-IUODEOHRSA-N 2 2 250.386 2.629 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000049198945 519814716 /nfs/dbraw/zinc/81/47/16/519814716.db2.gz SCEBVLIDAMJJOS-BBRMVZONSA-N 2 2 276.424 2.858 10 0 CFAELP CC[NH2+]CC[C@H](C)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000052443412 519928116 /nfs/dbraw/zinc/92/81/16/519928116.db2.gz NWOUSZLYBAKFJJ-AWEZNQCLSA-N 2 2 295.858 2.850 10 0 CFAELP CCC[NH2+]Cc1c2ccccc2oc1C[NH+]1CCOCC1 ZINC000052377889 519942312 /nfs/dbraw/zinc/94/23/12/519942312.db2.gz URJIYHRAOWAGMZ-UHFFFAOYSA-N 2 2 288.391 2.765 10 0 CFAELP CC[NH2+]C[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000052443865 519943267 /nfs/dbraw/zinc/94/32/67/519943267.db2.gz QOFHIIMZCISTST-OAHLLOKOSA-N 2 2 260.425 2.939 10 0 CFAELP CC[NH2+]Cc1c2ccccc2oc1C[N@@H+]1CCOC[C@@H]1C ZINC000052476011 519984544 /nfs/dbraw/zinc/98/45/44/519984544.db2.gz XZLHUWBYRZNGAR-ZDUSSCGKSA-N 2 2 288.391 2.763 10 0 CFAELP CC[NH2+]Cc1c2ccccc2oc1C[N@H+]1CCOC[C@@H]1C ZINC000052476011 519984550 /nfs/dbraw/zinc/98/45/50/519984550.db2.gz XZLHUWBYRZNGAR-ZDUSSCGKSA-N 2 2 288.391 2.763 10 0 CFAELP CCO[C@@H](C[NH3+])CC[N@H+](CC)c1ccc(C)cc1 ZINC000062741223 520308012 /nfs/dbraw/zinc/30/80/12/520308012.db2.gz WYAPFBHEDQYHKT-OAHLLOKOSA-N 2 2 250.386 2.575 10 0 CFAELP CCO[C@@H](C[NH3+])CC[N@@H+](CC)c1ccc(C)cc1 ZINC000062741223 520308015 /nfs/dbraw/zinc/30/80/15/520308015.db2.gz WYAPFBHEDQYHKT-OAHLLOKOSA-N 2 2 250.386 2.575 10 0 CFAELP CC1(C)CC[NH+]([C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000061818500 520383944 /nfs/dbraw/zinc/38/39/44/520383944.db2.gz XXSSHFOHYGERSX-CQSZACIVSA-N 2 2 250.361 2.948 10 0 CFAELP CC[N@H+](CC1CC1)[C@@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000069237200 520968339 /nfs/dbraw/zinc/96/83/39/520968339.db2.gz MHFDAVOWVXLCGK-IAQYHMDHSA-N 2 2 250.361 2.946 10 0 CFAELP CC[N@@H+](CC1CC1)[C@@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000069237200 520968347 /nfs/dbraw/zinc/96/83/47/520968347.db2.gz MHFDAVOWVXLCGK-IAQYHMDHSA-N 2 2 250.361 2.946 10 0 CFAELP CCN(CC1CC1)c1c(C[NH3+])c[nH+]c2ccccc21 ZINC000069236749 520970826 /nfs/dbraw/zinc/97/08/26/520970826.db2.gz IRCHUTGZVMWKSE-UHFFFAOYSA-N 2 2 255.365 2.930 10 0 CFAELP CCCC[C@](CC)(C[NH3+])[NH+]1CCN(c2nccs2)CC1 ZINC000069379492 521254950 /nfs/dbraw/zinc/25/49/50/521254950.db2.gz BKKHBNJHDCZCMD-OAHLLOKOSA-N 2 2 296.484 2.563 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@H+](C)C(C)(C)CC)[NH2+]C1CC1 ZINC000069443438 521320379 /nfs/dbraw/zinc/32/03/79/521320379.db2.gz REJYBRIFXYEDPB-KRWDZBQOSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@@H+](C)C(C)(C)CC)[NH2+]C1CC1 ZINC000069443438 521320386 /nfs/dbraw/zinc/32/03/86/521320386.db2.gz REJYBRIFXYEDPB-KRWDZBQOSA-N 2 2 298.471 2.961 10 0 CFAELP CCOc1ccccc1[C@@H](C[NH3+])[N@H+](CC)CC1CC1 ZINC000069237478 521576722 /nfs/dbraw/zinc/57/67/22/521576722.db2.gz APCRAOHLXWBOCX-OAHLLOKOSA-N 2 2 262.397 2.817 10 0 CFAELP CCOc1ccccc1[C@@H](C[NH3+])[N@@H+](CC)CC1CC1 ZINC000069237478 521576733 /nfs/dbraw/zinc/57/67/33/521576733.db2.gz APCRAOHLXWBOCX-OAHLLOKOSA-N 2 2 262.397 2.817 10 0 CFAELP CC[N@@H+]1CCC[C@H](n2c(C)c(C)c3c2nc(C)[nH+]c3N)C1 ZINC000049223872 521651154 /nfs/dbraw/zinc/65/11/54/521651154.db2.gz NUVHXCARLPLXBZ-ZDUSSCGKSA-N 2 2 287.411 2.596 10 0 CFAELP CC[N@H+]1CCC[C@H](n2c(C)c(C)c3c2nc(C)[nH+]c3N)C1 ZINC000049223872 521651157 /nfs/dbraw/zinc/65/11/57/521651157.db2.gz NUVHXCARLPLXBZ-ZDUSSCGKSA-N 2 2 287.411 2.596 10 0 CFAELP CCC[N@H+]([C@@H](C[NH3+])c1ccc(OC)c(C)c1)C1CC1 ZINC000050596563 521696598 /nfs/dbraw/zinc/69/65/98/521696598.db2.gz XXDGMMDDNMGQAN-HNNXBMFYSA-N 2 2 262.397 2.878 10 0 CFAELP CCC[N@@H+]([C@@H](C[NH3+])c1ccc(OC)c(C)c1)C1CC1 ZINC000050596563 521696601 /nfs/dbraw/zinc/69/66/01/521696601.db2.gz XXDGMMDDNMGQAN-HNNXBMFYSA-N 2 2 262.397 2.878 10 0 CFAELP COc1c(C)c[nH+]c(CN[C@H](CC(C)C)C[NH+](C)C)c1C ZINC000049556047 521815637 /nfs/dbraw/zinc/81/56/37/521815637.db2.gz AQGGWGWTLOPQQU-OAHLLOKOSA-N 2 2 293.455 2.773 10 0 CFAELP C[NH2+]C[C@H](C(C)C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443419 522063516 /nfs/dbraw/zinc/06/35/16/522063516.db2.gz PGQJQOUQYFXLKI-MRXNPFEDSA-N 2 2 295.858 2.706 10 0 CFAELP CC[C@H](C[NH2+]C1CC1)[N@H+](C)Cc1ccc(F)cc1 ZINC000052346127 522191390 /nfs/dbraw/zinc/19/13/90/522191390.db2.gz JEHFCCWXZYVERB-OAHLLOKOSA-N 2 2 250.361 2.788 10 0 CFAELP CC[C@H](C[NH2+]C1CC1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346127 522191401 /nfs/dbraw/zinc/19/14/01/522191401.db2.gz JEHFCCWXZYVERB-OAHLLOKOSA-N 2 2 250.361 2.788 10 0 CFAELP C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC000061698307 522329045 /nfs/dbraw/zinc/32/90/45/522329045.db2.gz AZJWVMALOYXOGD-VIFPVBQESA-N 2 2 280.169 2.915 10 0 CFAELP COc1cc(OC)cc([C@H](C[NH3+])[NH+]2CCC(C)(C)CC2)c1 ZINC000061819079 522881975 /nfs/dbraw/zinc/88/19/75/522881975.db2.gz LEYWGHRLXXMZHO-INIZCTEOSA-N 2 2 292.423 2.826 10 0 CFAELP C[N@H+](Cc1coc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231464946 523521072 /nfs/dbraw/zinc/52/10/72/523521072.db2.gz AZLYLSRWBZVCFK-MRXNPFEDSA-N 2 2 285.391 2.916 10 0 CFAELP C[N@@H+](Cc1coc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231464946 523521078 /nfs/dbraw/zinc/52/10/78/523521078.db2.gz AZLYLSRWBZVCFK-MRXNPFEDSA-N 2 2 285.391 2.916 10 0 CFAELP C[N@H+](Cc1ncc(-c2ccccc2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000231670939 523576482 /nfs/dbraw/zinc/57/64/82/523576482.db2.gz CBRHSTJUCDMLRY-OAHLLOKOSA-N 2 2 285.391 2.916 10 0 CFAELP C[N@@H+](Cc1ncc(-c2ccccc2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000231670939 523576485 /nfs/dbraw/zinc/57/64/85/523576485.db2.gz CBRHSTJUCDMLRY-OAHLLOKOSA-N 2 2 285.391 2.916 10 0 CFAELP COCC[N@@H+]([C@@H](C[NH3+])c1ccc(F)c(C)c1)[C@@H](C)C1CC1 ZINC000050558514 523781368 /nfs/dbraw/zinc/78/13/68/523781368.db2.gz NSCXWPFDJSUWQP-GUYCJALGSA-N 2 2 294.414 2.881 10 0 CFAELP COCC[N@H+]([C@@H](C[NH3+])c1ccc(F)c(C)c1)[C@@H](C)C1CC1 ZINC000050558514 523781376 /nfs/dbraw/zinc/78/13/76/523781376.db2.gz NSCXWPFDJSUWQP-GUYCJALGSA-N 2 2 294.414 2.881 10 0 CFAELP CCc1cc(NCC2CC[NH2+]CC2)nc(-c2ccncc2)[nH+]1 ZINC000070456017 523821987 /nfs/dbraw/zinc/82/19/87/523821987.db2.gz GRGMZFWLEWIEFN-UHFFFAOYSA-N 2 2 297.406 2.513 10 0 CFAELP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)C)C1 ZINC000045655103 524510008 /nfs/dbraw/zinc/51/00/08/524510008.db2.gz HWPTWDSXVQIEQN-HOCLYGCPSA-N 2 2 276.424 2.699 10 0 CFAELP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C1 ZINC000045655103 524510016 /nfs/dbraw/zinc/51/00/16/524510016.db2.gz HWPTWDSXVQIEQN-HOCLYGCPSA-N 2 2 276.424 2.699 10 0 CFAELP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC[NH+]1CCCCC1 ZINC000049574572 524525970 /nfs/dbraw/zinc/52/59/70/524525970.db2.gz ILNXOAUSPSRUOQ-HNNXBMFYSA-N 2 2 276.424 2.789 10 0 CFAELP C[C@H](Cn1cc[nH+]c1)n1c(N)[nH+]c2cc(Cl)ccc21 ZINC000049236338 524798001 /nfs/dbraw/zinc/79/80/01/524798001.db2.gz CEIKYPFERWEUSH-SECBINFHSA-N 2 2 275.743 2.730 10 0 CFAELP Cc1cc(F)ccc1C[NH2+][C@H](C[NH+](C)C)C(C)C ZINC000050577530 524980253 /nfs/dbraw/zinc/98/02/53/524980253.db2.gz IQQCBSPVNHEJOD-OAHLLOKOSA-N 2 2 252.377 2.810 10 0 CFAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@@H+]1CCCSCC1 ZINC000050578827 525003246 /nfs/dbraw/zinc/00/32/46/525003246.db2.gz SPVGEKKKSKAWJO-CQSZACIVSA-N 2 2 268.401 2.573 10 0 CFAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@H+]1CCCSCC1 ZINC000050578827 525003255 /nfs/dbraw/zinc/00/32/55/525003255.db2.gz SPVGEKKKSKAWJO-CQSZACIVSA-N 2 2 268.401 2.573 10 0 CFAELP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000051017772 525098865 /nfs/dbraw/zinc/09/88/65/525098865.db2.gz DUIFGGYSNNZMRG-TXEJJXNPSA-N 2 2 268.351 2.642 10 0 CFAELP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](Cc2ccc(F)cc2F)C1 ZINC000051017772 525098867 /nfs/dbraw/zinc/09/88/67/525098867.db2.gz DUIFGGYSNNZMRG-TXEJJXNPSA-N 2 2 268.351 2.642 10 0 CFAELP COc1ccc2cc(C[N@@H+]3C[C@@H](C)[C@@H]([NH3+])C3)ccc2c1 ZINC000235050114 525628568 /nfs/dbraw/zinc/62/85/68/525628568.db2.gz MVZYJJNMQSQWRD-PXAZEXFGSA-N 2 2 270.376 2.627 10 0 CFAELP COc1ccc2cc(C[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)ccc2c1 ZINC000235050114 525628575 /nfs/dbraw/zinc/62/85/75/525628575.db2.gz MVZYJJNMQSQWRD-PXAZEXFGSA-N 2 2 270.376 2.627 10 0 CFAELP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C)s1 ZINC000049538739 526746140 /nfs/dbraw/zinc/74/61/40/526746140.db2.gz VPQFJWKEZXAYNC-SKDRFNHKSA-N 2 2 255.431 2.784 10 0 CFAELP Cc1nc(N(CCC[NH3+])C2CCCCCC2)cc[nH+]1 ZINC000054935407 527343957 /nfs/dbraw/zinc/34/39/57/527343957.db2.gz BQHFERLCYFXPDU-UHFFFAOYSA-N 2 2 262.401 2.663 10 0 CFAELP COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000252487241 617608782 /nfs/dbraw/zinc/60/87/82/617608782.db2.gz USSKFUCVCVIFHX-HZSPNIEDSA-N 2 2 256.434 2.508 10 0 CFAELP COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000252487241 617608786 /nfs/dbraw/zinc/60/87/86/617608786.db2.gz USSKFUCVCVIFHX-HZSPNIEDSA-N 2 2 256.434 2.508 10 0 CFAELP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)c2ccccc12 ZINC000261785205 618143515 /nfs/dbraw/zinc/14/35/15/618143515.db2.gz PWZXAVDPLPHBHS-BLLLJJGKSA-N 2 2 270.376 2.770 10 0 CFAELP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)c2ccccc12 ZINC000261785205 618143518 /nfs/dbraw/zinc/14/35/18/618143518.db2.gz PWZXAVDPLPHBHS-BLLLJJGKSA-N 2 2 270.376 2.770 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cncc2ccccc21 ZINC000165069215 622979447 /nfs/dbraw/zinc/97/94/47/622979447.db2.gz VLJIHQNKPLQVQO-HNNXBMFYSA-N 2 2 255.365 2.548 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cncc2ccccc21 ZINC000165069215 622979448 /nfs/dbraw/zinc/97/94/48/622979448.db2.gz VLJIHQNKPLQVQO-HNNXBMFYSA-N 2 2 255.365 2.548 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)Cc2cccc(F)c2)C1 ZINC000252708840 625202562 /nfs/dbraw/zinc/20/25/62/625202562.db2.gz BGHNCFAZJMGNHC-CJNGLKHVSA-N 2 2 264.388 2.831 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)Cc2cccc(F)c2)C1 ZINC000252708840 625202568 /nfs/dbraw/zinc/20/25/68/625202568.db2.gz BGHNCFAZJMGNHC-CJNGLKHVSA-N 2 2 264.388 2.831 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2cccc(F)c2)C1 ZINC000222589237 647280680 /nfs/dbraw/zinc/28/06/80/647280680.db2.gz BGHNCFAZJMGNHC-BBRMVZONSA-N 2 2 264.388 2.831 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2cccc(F)c2)C1 ZINC000222589237 647280683 /nfs/dbraw/zinc/28/06/83/647280683.db2.gz BGHNCFAZJMGNHC-BBRMVZONSA-N 2 2 264.388 2.831 10 0 CFAELP C[NH+](C)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000036335367 649586797 /nfs/dbraw/zinc/58/67/97/649586797.db2.gz YFVPTFZIBAETQQ-VHRNVKJDSA-N 2 2 259.397 2.790 10 0 CFAELP C[NH+](C)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000036335367 649586801 /nfs/dbraw/zinc/58/68/01/649586801.db2.gz YFVPTFZIBAETQQ-VHRNVKJDSA-N 2 2 259.397 2.790 10 0 CFAELP [NH3+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1c1ccc(O)cc1 ZINC000096946965 185137070 /nfs/dbraw/zinc/13/70/70/185137070.db2.gz AJDRRAFMTMIHBY-IRXDYDNUSA-N 2 2 268.360 2.667 10 0 CFAELP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1c1ccc(O)cc1 ZINC000096946965 185137071 /nfs/dbraw/zinc/13/70/71/185137071.db2.gz AJDRRAFMTMIHBY-IRXDYDNUSA-N 2 2 268.360 2.667 10 0 CFAELP C[C@H]([NH3+])C([NH3+])(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000090629052 347552803 /nfs/dbraw/zinc/55/28/03/347552803.db2.gz KAYMSRPUTVWYSP-JTQLQIEISA-N 2 2 262.303 2.514 10 0 CFAELP CCOc1cc(C[NH+]2CCC([NH3+])CC2)ccc1Cl ZINC000116993258 347790245 /nfs/dbraw/zinc/79/02/45/347790245.db2.gz YXEQMNUWZJJSAA-UHFFFAOYSA-N 2 2 268.788 2.662 10 0 CFAELP C[NH+](C)CCOc1ccc([NH2+][C@H]2CCCOCC2)cc1 ZINC000086873549 179364416 /nfs/dbraw/zinc/36/44/16/179364416.db2.gz VCSMFGAXVWVSPF-AWEZNQCLSA-N 2 2 278.396 2.608 10 0 CFAELP Cc1cc[nH+]c(N[C@@H](C)C[C@@H](C)[NH3+])c1Br ZINC000235158583 348225044 /nfs/dbraw/zinc/22/50/44/348225044.db2.gz UMCPWFLSAHJUCK-BDAKNGLRSA-N 2 2 272.190 2.690 10 0 CFAELP COCc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000328639097 348442054 /nfs/dbraw/zinc/44/20/54/348442054.db2.gz PLCWCGFCQRSYDT-INIZCTEOSA-N 2 2 274.408 2.549 10 0 CFAELP COCc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000328639097 348442057 /nfs/dbraw/zinc/44/20/57/348442057.db2.gz PLCWCGFCQRSYDT-INIZCTEOSA-N 2 2 274.408 2.549 10 0 CFAELP [NH3+]C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000584620999 348693016 /nfs/dbraw/zinc/69/30/16/348693016.db2.gz BQCPLFWSXRVBGH-WCQYABFASA-N 2 2 290.304 2.580 10 0 CFAELP [NH3+]C[C@@H](Cc1ccc(F)cc1)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000584620999 348693018 /nfs/dbraw/zinc/69/30/18/348693018.db2.gz BQCPLFWSXRVBGH-WCQYABFASA-N 2 2 290.304 2.580 10 0 CFAELP Cc1ncsc1C[N@@H+](C)[C@@H]([C@@H](C)[NH3+])C(C)(C)C ZINC000104443204 186004212 /nfs/dbraw/zinc/00/42/12/186004212.db2.gz AGECVBWFXGNQCI-SKDRFNHKSA-N 2 2 255.431 2.645 10 0 CFAELP Cc1ncsc1C[N@H+](C)[C@@H]([C@@H](C)[NH3+])C(C)(C)C ZINC000104443204 186004213 /nfs/dbraw/zinc/00/42/13/186004213.db2.gz AGECVBWFXGNQCI-SKDRFNHKSA-N 2 2 255.431 2.645 10 0 CFAELP CC[N@@H+]1CCC[C@H]1CN(C)Cc1c[nH+]c2c(C)cccn12 ZINC000123418910 187090442 /nfs/dbraw/zinc/09/04/42/187090442.db2.gz AUKIUGXJMYBEGC-HNNXBMFYSA-N 2 2 286.423 2.559 10 0 CFAELP CC[N@H+]1CCC[C@H]1CN(C)Cc1c[nH+]c2c(C)cccn12 ZINC000123418910 187090443 /nfs/dbraw/zinc/09/04/43/187090443.db2.gz AUKIUGXJMYBEGC-HNNXBMFYSA-N 2 2 286.423 2.559 10 0 CFAELP C[C@@H]([NH2+][C@@H]1C2CC[NH+](CC2)C12CC2)c1ccccc1 ZINC000616578607 352373595 /nfs/dbraw/zinc/37/35/95/352373595.db2.gz OVSYVGHNEHSUBT-CZUORRHYSA-N 2 2 256.393 2.964 10 0 CFAELP C[C@H]([NH2+][C@@H]1C2CC[NH+](CC2)C12CC2)c1ccccc1 ZINC000616578609 352373847 /nfs/dbraw/zinc/37/38/47/352373847.db2.gz OVSYVGHNEHSUBT-XJKSGUPXSA-N 2 2 256.393 2.964 10 0 CFAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccc3ccccc3n2)CC1 ZINC000616600453 352379282 /nfs/dbraw/zinc/37/92/82/352379282.db2.gz FUVJYUCKITVLGF-OAHLLOKOSA-N 2 2 269.392 2.763 10 0 CFAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccc3ccccc3n2)CC1 ZINC000616600453 352379286 /nfs/dbraw/zinc/37/92/86/352379286.db2.gz FUVJYUCKITVLGF-OAHLLOKOSA-N 2 2 269.392 2.763 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1cccc2cccnc21 ZINC000616616390 352385543 /nfs/dbraw/zinc/38/55/43/352385543.db2.gz MCEBKFSXJWSCFB-HNNXBMFYSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1cccc2cccnc21 ZINC000616616390 352385545 /nfs/dbraw/zinc/38/55/45/352385545.db2.gz MCEBKFSXJWSCFB-HNNXBMFYSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1cc2ccccc2nn1 ZINC000616624639 352388624 /nfs/dbraw/zinc/38/86/24/352388624.db2.gz DZUBNRPBAMSYCD-INIZCTEOSA-N 2 2 270.380 2.506 10 0 CFAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1cc2ccccc2nn1 ZINC000616624639 352388625 /nfs/dbraw/zinc/38/86/25/352388625.db2.gz DZUBNRPBAMSYCD-INIZCTEOSA-N 2 2 270.380 2.506 10 0 CFAELP Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000136081160 539878917 /nfs/dbraw/zinc/87/89/17/539878917.db2.gz GHOBJRISQYBGGW-MRXNPFEDSA-N 2 2 255.365 2.856 10 0 CFAELP Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000136081160 539878919 /nfs/dbraw/zinc/87/89/19/539878919.db2.gz GHOBJRISQYBGGW-MRXNPFEDSA-N 2 2 255.365 2.856 10 0 CFAELP CC(C)[N@H+]1C[C@H]([NH2+]Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000154101909 188123559 /nfs/dbraw/zinc/12/35/59/188123559.db2.gz JMVIULIMRHLPNQ-GUYCJALGSA-N 2 2 271.408 2.986 10 0 CFAELP CC(C)[N@@H+]1C[C@H]([NH2+]Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000154101909 188123560 /nfs/dbraw/zinc/12/35/60/188123560.db2.gz JMVIULIMRHLPNQ-GUYCJALGSA-N 2 2 271.408 2.986 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cncc(Br)c2)C1 ZINC000566499855 290395892 /nfs/dbraw/zinc/39/58/92/290395892.db2.gz AYOGCINHODPJBQ-MFKMUULPSA-N 2 2 298.228 2.589 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cncc(Br)c2)C1 ZINC000566499855 290395893 /nfs/dbraw/zinc/39/58/93/290395893.db2.gz AYOGCINHODPJBQ-MFKMUULPSA-N 2 2 298.228 2.589 10 0 CFAELP C[C@H]1C[N@H+](Cc2cc(F)ccc2Cl)C[C@@H]1C[NH3+] ZINC000631837310 355600620 /nfs/dbraw/zinc/60/06/20/355600620.db2.gz AHXSRTWDSZCNSV-ONGXEEELSA-N 2 2 256.752 2.506 10 0 CFAELP C[C@H]1C[N@@H+](Cc2cc(F)ccc2Cl)C[C@@H]1C[NH3+] ZINC000631837310 355600622 /nfs/dbraw/zinc/60/06/22/355600622.db2.gz AHXSRTWDSZCNSV-ONGXEEELSA-N 2 2 256.752 2.506 10 0 CFAELP C[C@H]1C[N@H+](Cc2cc(Br)cs2)C[C@@H]1C[NH3+] ZINC000631840160 355603087 /nfs/dbraw/zinc/60/30/87/355603087.db2.gz QGIKJRHGQOOKOK-IUCAKERBSA-N 2 2 289.242 2.537 10 0 CFAELP C[C@H]1C[N@@H+](Cc2cc(Br)cs2)C[C@@H]1C[NH3+] ZINC000631840160 355603089 /nfs/dbraw/zinc/60/30/89/355603089.db2.gz QGIKJRHGQOOKOK-IUCAKERBSA-N 2 2 289.242 2.537 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000229641320 540183883 /nfs/dbraw/zinc/18/38/83/540183883.db2.gz JURKNSNYZWKGCA-HNNXBMFYSA-N 2 2 257.381 2.742 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000229641320 540183885 /nfs/dbraw/zinc/18/38/85/540183885.db2.gz JURKNSNYZWKGCA-HNNXBMFYSA-N 2 2 257.381 2.742 10 0 CFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000183305322 189354480 /nfs/dbraw/zinc/35/44/80/189354480.db2.gz UFLMPWKHVAWVAX-KEYYUXOJSA-N 2 2 276.424 2.558 10 0 CFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000183305322 189354481 /nfs/dbraw/zinc/35/44/81/189354481.db2.gz UFLMPWKHVAWVAX-KEYYUXOJSA-N 2 2 276.424 2.558 10 0 CFAELP CCc1cc(NC[C@@H]2CCC[N@@H+]2CC(C)C)nc(C)[nH+]1 ZINC000302078616 201334455 /nfs/dbraw/zinc/33/44/55/201334455.db2.gz IFDMQQHIKYNDRR-HNNXBMFYSA-N 2 2 276.428 2.880 10 0 CFAELP CCc1cc(NC[C@@H]2CCC[N@H+]2CC(C)C)nc(C)[nH+]1 ZINC000302078616 201334457 /nfs/dbraw/zinc/33/44/57/201334457.db2.gz IFDMQQHIKYNDRR-HNNXBMFYSA-N 2 2 276.428 2.880 10 0 CFAELP Cc1nc(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302099753 201342562 /nfs/dbraw/zinc/34/25/62/201342562.db2.gz PMPREKZPIXNBBG-MLGOLLRUSA-N 2 2 288.439 2.804 10 0 CFAELP Cc1nc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302099753 201342566 /nfs/dbraw/zinc/34/25/66/201342566.db2.gz PMPREKZPIXNBBG-MLGOLLRUSA-N 2 2 288.439 2.804 10 0 CFAELP COc1ccc(-c2nc(N[C@H]3CCC[NH2+]C3)cc(C)[nH+]2)cc1 ZINC000070456476 374181796 /nfs/dbraw/zinc/18/17/96/374181796.db2.gz LDGDTSXZGMHFLC-AWEZNQCLSA-N 2 2 298.390 2.625 10 0 CFAELP Cc1cc(N2CC[C@H]([NH3+])C2)nc(-c2cccc(Cl)c2)[nH+]1 ZINC000070455913 374179539 /nfs/dbraw/zinc/17/95/39/374179539.db2.gz JUEBMSSDFOJRLT-ZDUSSCGKSA-N 2 2 288.782 2.643 10 0 CFAELP Cc1ncccc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812878 375159026 /nfs/dbraw/zinc/15/90/26/375159026.db2.gz VAYHVVYQXIYQAI-HNNXBMFYSA-N 2 2 282.391 2.719 10 0 CFAELP Cc1ncccc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812878 375159033 /nfs/dbraw/zinc/15/90/33/375159033.db2.gz VAYHVVYQXIYQAI-HNNXBMFYSA-N 2 2 282.391 2.719 10 0 CFAELP Cc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)o1 ZINC000092812537 375159193 /nfs/dbraw/zinc/15/91/93/375159193.db2.gz LVZQTIJBMMDCNB-AWEZNQCLSA-N 2 2 271.364 2.917 10 0 CFAELP Cc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)o1 ZINC000092812537 375159197 /nfs/dbraw/zinc/15/91/97/375159197.db2.gz LVZQTIJBMMDCNB-AWEZNQCLSA-N 2 2 271.364 2.917 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094370381 375357051 /nfs/dbraw/zinc/35/70/51/375357051.db2.gz LRAPWPPHMWKRGT-HUUCEWRRSA-N 2 2 268.445 2.654 10 0 CFAELP Fc1ccc(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000096336969 375485254 /nfs/dbraw/zinc/48/52/54/375485254.db2.gz OECNSKPDZCPEQC-UHFFFAOYSA-N 2 2 273.355 2.971 10 0 CFAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000113271748 376004697 /nfs/dbraw/zinc/00/46/97/376004697.db2.gz NPHHQVWKQMDAMM-CRAIPNDOSA-N 2 2 296.418 2.541 10 0 CFAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000113271748 376004700 /nfs/dbraw/zinc/00/47/00/376004700.db2.gz NPHHQVWKQMDAMM-CRAIPNDOSA-N 2 2 296.418 2.541 10 0 CFAELP COCCCCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000116878246 376211488 /nfs/dbraw/zinc/21/14/88/376211488.db2.gz JOQMLQXMPVECNE-OAHLLOKOSA-N 2 2 277.412 2.632 10 0 CFAELP COCCCCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000116878246 376211495 /nfs/dbraw/zinc/21/14/95/376211495.db2.gz JOQMLQXMPVECNE-OAHLLOKOSA-N 2 2 277.412 2.632 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(OC)cc3C2)C1 ZINC000129513549 377438884 /nfs/dbraw/zinc/43/88/84/377438884.db2.gz QBFOTLINVRUEQU-IAGOWNOFSA-N 2 2 288.435 2.626 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(OC)cc3C2)C1 ZINC000129513549 377438891 /nfs/dbraw/zinc/43/88/91/377438891.db2.gz QBFOTLINVRUEQU-IAGOWNOFSA-N 2 2 288.435 2.626 10 0 CFAELP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])s1 ZINC000131418087 377710139 /nfs/dbraw/zinc/71/01/39/377710139.db2.gz CFUQGLZRKDDYMN-LLVKDONJSA-N 2 2 252.427 2.969 10 0 CFAELP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])s1 ZINC000131418087 377710147 /nfs/dbraw/zinc/71/01/47/377710147.db2.gz CFUQGLZRKDDYMN-LLVKDONJSA-N 2 2 252.427 2.969 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000131900558 377775572 /nfs/dbraw/zinc/77/55/72/377775572.db2.gz GQLVRYZFSCHTPX-CQSZACIVSA-N 2 2 295.390 2.732 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000131900558 377775590 /nfs/dbraw/zinc/77/55/90/377775590.db2.gz GQLVRYZFSCHTPX-CQSZACIVSA-N 2 2 295.390 2.732 10 0 CFAELP Cc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(C)s1 ZINC000151257565 378312290 /nfs/dbraw/zinc/31/22/90/378312290.db2.gz GHJXKSKXWOCMQS-HIFRSBDPSA-N 2 2 296.480 2.862 10 0 CFAELP Cc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(C)s1 ZINC000151257620 378312366 /nfs/dbraw/zinc/31/23/66/378312366.db2.gz GHJXKSKXWOCMQS-ZFWWWQNUSA-N 2 2 296.480 2.862 10 0 CFAELP COc1cccc(Cl)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163418057 378971447 /nfs/dbraw/zinc/97/14/47/378971447.db2.gz XCCZXQJKASHOEO-RYUDHWBXSA-N 2 2 282.815 2.765 10 0 CFAELP COc1cccc(Cl)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163418057 378971457 /nfs/dbraw/zinc/97/14/57/378971457.db2.gz XCCZXQJKASHOEO-RYUDHWBXSA-N 2 2 282.815 2.765 10 0 CFAELP C[NH2+]C[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000168716396 379094296 /nfs/dbraw/zinc/09/42/96/379094296.db2.gz IOCNTIOOOZXSDK-ZDUSSCGKSA-N 2 2 255.365 2.671 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOCCC(C)C ZINC000178335427 380438556 /nfs/dbraw/zinc/43/85/56/380438556.db2.gz GBQPSHZAVCZDID-INIZCTEOSA-N 2 2 279.428 2.719 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOCCC(C)C ZINC000178335427 380438559 /nfs/dbraw/zinc/43/85/59/380438559.db2.gz GBQPSHZAVCZDID-INIZCTEOSA-N 2 2 279.428 2.719 10 0 CFAELP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000187820770 382277856 /nfs/dbraw/zinc/27/78/56/382277856.db2.gz JEDHUWNHVLQOAP-DLBZAZTESA-N 2 2 294.414 2.713 10 0 CFAELP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000358187633 382495170 /nfs/dbraw/zinc/49/51/70/382495170.db2.gz ZMOSSGYOJZPMDD-PKFCDNJMSA-N 2 2 254.324 2.566 10 0 CFAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000358187633 382495173 /nfs/dbraw/zinc/49/51/73/382495173.db2.gz ZMOSSGYOJZPMDD-PKFCDNJMSA-N 2 2 254.324 2.566 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(C)C)C1 ZINC000389164379 382610750 /nfs/dbraw/zinc/61/07/50/382610750.db2.gz AYWYUMPPQUFYAL-HNNXBMFYSA-N 2 2 262.397 2.658 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(C)C)C1 ZINC000389164379 382610753 /nfs/dbraw/zinc/61/07/53/382610753.db2.gz AYWYUMPPQUFYAL-HNNXBMFYSA-N 2 2 262.397 2.658 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000389160791 382611643 /nfs/dbraw/zinc/61/16/43/382611643.db2.gz AKZLJLQYRWAISX-CVEARBPZSA-N 2 2 262.372 2.961 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000389160791 382611648 /nfs/dbraw/zinc/61/16/48/382611648.db2.gz AKZLJLQYRWAISX-CVEARBPZSA-N 2 2 262.372 2.961 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000389109281 382611735 /nfs/dbraw/zinc/61/17/35/382611735.db2.gz ADLSZYJIMUBXHB-HZMBPMFUSA-N 2 2 254.324 2.710 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000389109281 382611737 /nfs/dbraw/zinc/61/17/37/382611737.db2.gz ADLSZYJIMUBXHB-HZMBPMFUSA-N 2 2 254.324 2.710 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000389535535 382615663 /nfs/dbraw/zinc/61/56/63/382615663.db2.gz JDLMEENYLYCQMY-LBPRGKRZSA-N 2 2 298.814 2.541 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000389535535 382615667 /nfs/dbraw/zinc/61/56/67/382615667.db2.gz JDLMEENYLYCQMY-LBPRGKRZSA-N 2 2 298.814 2.541 10 0 CFAELP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)o1 ZINC000190474093 382670243 /nfs/dbraw/zinc/67/02/43/382670243.db2.gz YUNNLWOWOCIERZ-QGZVFWFLSA-N 2 2 299.418 2.937 10 0 CFAELP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)o1 ZINC000190474093 382670244 /nfs/dbraw/zinc/67/02/44/382670244.db2.gz YUNNLWOWOCIERZ-QGZVFWFLSA-N 2 2 299.418 2.937 10 0 CFAELP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)o1 ZINC000190474093 382670246 /nfs/dbraw/zinc/67/02/46/382670246.db2.gz YUNNLWOWOCIERZ-QGZVFWFLSA-N 2 2 299.418 2.937 10 0 CFAELP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)o1 ZINC000190474093 382670249 /nfs/dbraw/zinc/67/02/49/382670249.db2.gz YUNNLWOWOCIERZ-QGZVFWFLSA-N 2 2 299.418 2.937 10 0 CFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccco2)C1 ZINC000190490786 382670705 /nfs/dbraw/zinc/67/07/05/382670705.db2.gz FMUATFILYYKAEL-MRXNPFEDSA-N 2 2 285.391 2.629 10 0 CFAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccco2)C1 ZINC000190490786 382670706 /nfs/dbraw/zinc/67/07/06/382670706.db2.gz FMUATFILYYKAEL-MRXNPFEDSA-N 2 2 285.391 2.629 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000190490786 382670708 /nfs/dbraw/zinc/67/07/08/382670708.db2.gz FMUATFILYYKAEL-MRXNPFEDSA-N 2 2 285.391 2.629 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000190490786 382670709 /nfs/dbraw/zinc/67/07/09/382670709.db2.gz FMUATFILYYKAEL-MRXNPFEDSA-N 2 2 285.391 2.629 10 0 CFAELP c1ccc(NC[C@H]2CC[N@H+](C[C@@H]3CCC=CO3)C2)[nH+]c1 ZINC000193854882 382727167 /nfs/dbraw/zinc/72/71/67/382727167.db2.gz OTFJFODSKQDXRT-CABCVRRESA-N 2 2 273.380 2.508 10 0 CFAELP c1ccc(NC[C@H]2CC[N@@H+](C[C@@H]3CCC=CO3)C2)[nH+]c1 ZINC000193854882 382727168 /nfs/dbraw/zinc/72/71/68/382727168.db2.gz OTFJFODSKQDXRT-CABCVRRESA-N 2 2 273.380 2.508 10 0 CFAELP [NH3+]C1([NH3+])CC=C(c2ccccc2)C(Cl)(Cl)C1 ZINC000219467669 382794170 /nfs/dbraw/zinc/79/41/70/382794170.db2.gz HIEXRTKVUDQPRA-UHFFFAOYSA-N 2 2 257.164 2.651 10 0 CFAELP C[N@H+](Cc1c(F)cccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000226451211 382828431 /nfs/dbraw/zinc/82/84/31/382828431.db2.gz NVWLLOZVDUEYQF-LLVKDONJSA-N 2 2 254.324 2.539 10 0 CFAELP C[N@@H+](Cc1c(F)cccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000226451211 382828432 /nfs/dbraw/zinc/82/84/32/382828432.db2.gz NVWLLOZVDUEYQF-LLVKDONJSA-N 2 2 254.324 2.539 10 0 CFAELP C[C@@H]1CCC[N@@H+]([C@H](C[NH3+])c2ccc3c(c2)OCCCO3)C1 ZINC000247931489 383200140 /nfs/dbraw/zinc/20/01/40/383200140.db2.gz QRMZZAZUBRCGMS-UKRRQHHQSA-N 2 2 290.407 2.580 10 0 CFAELP C[C@@H]1CCC[N@H+]([C@H](C[NH3+])c2ccc3c(c2)OCCCO3)C1 ZINC000247931489 383200143 /nfs/dbraw/zinc/20/01/43/383200143.db2.gz QRMZZAZUBRCGMS-UKRRQHHQSA-N 2 2 290.407 2.580 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)C2CCSCC2)C1 ZINC000250050474 383368930 /nfs/dbraw/zinc/36/89/30/383368930.db2.gz LVWBDCWBBGXTNV-OCCSQVGLSA-N 2 2 256.459 2.592 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)C2CCSCC2)C1 ZINC000250050474 383368932 /nfs/dbraw/zinc/36/89/32/383368932.db2.gz LVWBDCWBBGXTNV-OCCSQVGLSA-N 2 2 256.459 2.592 10 0 CFAELP C[C@H]1C[N@H+](Cc2ccccc2OC(F)(F)F)C[C@@H]1C[NH3+] ZINC000634999327 383455457 /nfs/dbraw/zinc/45/54/57/383455457.db2.gz SJLOWVLPAMLSCH-JQWIXIFHSA-N 2 2 288.313 2.612 10 0 CFAELP C[C@H]1C[N@@H+](Cc2ccccc2OC(F)(F)F)C[C@@H]1C[NH3+] ZINC000634999327 383455462 /nfs/dbraw/zinc/45/54/62/383455462.db2.gz SJLOWVLPAMLSCH-JQWIXIFHSA-N 2 2 288.313 2.612 10 0 CFAELP CCc1cccc(Cl)c1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261932739 383581491 /nfs/dbraw/zinc/58/14/91/383581491.db2.gz CWGFKTIKYTZMTA-QMTHXVAHSA-N 2 2 252.789 2.681 10 0 CFAELP CCc1cccc(Cl)c1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261932739 383581494 /nfs/dbraw/zinc/58/14/94/383581494.db2.gz CWGFKTIKYTZMTA-QMTHXVAHSA-N 2 2 252.789 2.681 10 0 CFAELP CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cn1 ZINC000262007822 383593978 /nfs/dbraw/zinc/59/39/78/383593978.db2.gz UTTGXIGHIBCNCW-QGZVFWFLSA-N 2 2 296.418 2.773 10 0 CFAELP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cn1 ZINC000262007822 383593981 /nfs/dbraw/zinc/59/39/81/383593981.db2.gz UTTGXIGHIBCNCW-QGZVFWFLSA-N 2 2 296.418 2.773 10 0 CFAELP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262044673 383600228 /nfs/dbraw/zinc/60/02/28/383600228.db2.gz POYPIVXWTOQMQI-GUYCJALGSA-N 2 2 297.402 2.536 10 0 CFAELP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262044673 383600235 /nfs/dbraw/zinc/60/02/35/383600235.db2.gz POYPIVXWTOQMQI-GUYCJALGSA-N 2 2 297.402 2.536 10 0 CFAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC(C)(C)O ZINC000274355353 385774785 /nfs/dbraw/zinc/77/47/85/385774785.db2.gz FCFIEUZDGFSJFC-INIZCTEOSA-N 2 2 278.440 2.504 10 0 CFAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC(C)(C)O ZINC000274355353 385774790 /nfs/dbraw/zinc/77/47/90/385774790.db2.gz FCFIEUZDGFSJFC-INIZCTEOSA-N 2 2 278.440 2.504 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000133049414 285231862 /nfs/dbraw/zinc/23/18/62/285231862.db2.gz MWTHRNZOSWIIEJ-GDBMZVCRSA-N 2 2 274.408 2.974 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000133049414 285231863 /nfs/dbraw/zinc/23/18/63/285231863.db2.gz MWTHRNZOSWIIEJ-GDBMZVCRSA-N 2 2 274.408 2.974 10 0 CFAELP FC(F)(F)c1cc[nH+]c(N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000334997363 393632297 /nfs/dbraw/zinc/63/22/97/393632297.db2.gz YWMIGPRXSINAIW-CYBMUJFWSA-N 2 2 285.313 2.680 10 0 CFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCCF)C1 ZINC000195249416 393735412 /nfs/dbraw/zinc/73/54/12/393735412.db2.gz HWPWCSHWGYZVTI-ZDUSSCGKSA-N 2 2 285.432 2.565 10 0 CFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCCF)C1 ZINC000195249416 393735415 /nfs/dbraw/zinc/73/54/15/393735415.db2.gz HWPWCSHWGYZVTI-ZDUSSCGKSA-N 2 2 285.432 2.565 10 0 CFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCCF)C1 ZINC000195249416 393735419 /nfs/dbraw/zinc/73/54/19/393735419.db2.gz HWPWCSHWGYZVTI-ZDUSSCGKSA-N 2 2 285.432 2.565 10 0 CFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCCF)C1 ZINC000195249416 393735421 /nfs/dbraw/zinc/73/54/21/393735421.db2.gz HWPWCSHWGYZVTI-ZDUSSCGKSA-N 2 2 285.432 2.565 10 0 CFAELP CC(C)[C@H]1CN(c2ccc([NH+](C)C)cc2)[C@H](C)C[NH2+]1 ZINC000083449839 135022471 /nfs/dbraw/zinc/02/24/71/135022471.db2.gz ZGMLSQHEGGLDSL-CZUORRHYSA-N 2 2 261.413 2.575 10 0 CFAELP c1csc(C[NH2+]C2[C@@H]3C[C@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC000399599087 397562334 /nfs/dbraw/zinc/56/23/34/397562334.db2.gz BCVINKWXDJTZHY-FKEKPDDDSA-N 2 2 299.443 2.753 10 0 CFAELP c1csc(C[NH2+]C2[C@@H]3C[C@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC000399599087 397562336 /nfs/dbraw/zinc/56/23/36/397562336.db2.gz BCVINKWXDJTZHY-FKEKPDDDSA-N 2 2 299.443 2.753 10 0 CFAELP COc1ccc(C[N@H+](C)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000020225390 171088148 /nfs/dbraw/zinc/08/81/48/171088148.db2.gz KYVFIVODPZZLTE-KRWDZBQOSA-N 2 2 270.376 2.827 10 0 CFAELP COc1ccc(C[N@@H+](C)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000020225390 171088150 /nfs/dbraw/zinc/08/81/50/171088150.db2.gz KYVFIVODPZZLTE-KRWDZBQOSA-N 2 2 270.376 2.827 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)CCc2ccccc2)cc1 ZINC000020225886 171089291 /nfs/dbraw/zinc/08/92/91/171089291.db2.gz BPJMXDZSIGLIJK-GOSISDBHSA-N 2 2 284.403 2.870 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)CCc2ccccc2)cc1 ZINC000020225886 171089293 /nfs/dbraw/zinc/08/92/93/171089293.db2.gz BPJMXDZSIGLIJK-GOSISDBHSA-N 2 2 284.403 2.870 10 0 CFAELP CCOc1ccccc1[C@@H](C[NH3+])[N@H+](C)CC(C)C ZINC000020226160 171089316 /nfs/dbraw/zinc/08/93/16/171089316.db2.gz HZDIFZGNWGTRLY-CQSZACIVSA-N 2 2 250.386 2.673 10 0 CFAELP CCOc1ccccc1[C@@H](C[NH3+])[N@@H+](C)CC(C)C ZINC000020226160 171089317 /nfs/dbraw/zinc/08/93/17/171089317.db2.gz HZDIFZGNWGTRLY-CQSZACIVSA-N 2 2 250.386 2.673 10 0 CFAELP COc1ccccc1[C@@H](C[NH3+])[N@H+](C)CCc1ccccc1 ZINC000020225786 171089614 /nfs/dbraw/zinc/08/96/14/171089614.db2.gz NXSYWMYJYROEIK-QGZVFWFLSA-N 2 2 284.403 2.870 10 0 CFAELP COc1ccccc1[C@@H](C[NH3+])[N@@H+](C)CCc1ccccc1 ZINC000020225786 171089616 /nfs/dbraw/zinc/08/96/16/171089616.db2.gz NXSYWMYJYROEIK-QGZVFWFLSA-N 2 2 284.403 2.870 10 0 CFAELP CCOc1cccc([C@H](C[NH3+])[N@H+](C)CC(C)C)c1 ZINC000020226207 171090508 /nfs/dbraw/zinc/09/05/08/171090508.db2.gz NVBXOKLBMMMMLV-HNNXBMFYSA-N 2 2 250.386 2.673 10 0 CFAELP CCOc1cccc([C@H](C[NH3+])[N@@H+](C)CC(C)C)c1 ZINC000020226207 171090509 /nfs/dbraw/zinc/09/05/09/171090509.db2.gz NVBXOKLBMMMMLV-HNNXBMFYSA-N 2 2 250.386 2.673 10 0 CFAELP Cc1cc(C)c([C@H](C[NH3+])[NH+]2CCSCC2)c(C)c1 ZINC000020257021 171111677 /nfs/dbraw/zinc/11/16/77/171111677.db2.gz XYZYKJGBWSVVRP-AWEZNQCLSA-N 2 2 264.438 2.660 10 0 CFAELP CC(C)c1cccc(OC[C@@H](C[NH3+])[NH+]2CCCC2)c1 ZINC000020400560 171181888 /nfs/dbraw/zinc/18/18/88/171181888.db2.gz AXMRWSNMDQQDKT-OAHLLOKOSA-N 2 2 262.397 2.612 10 0 CFAELP COc1ccccc1[C@@H](C[NH3+])[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022221171 171378052 /nfs/dbraw/zinc/37/80/52/171378052.db2.gz JQJMVGYOLPLJQH-VNHYZAJKSA-N 2 2 262.397 2.673 10 0 CFAELP COc1ccccc1[C@@H](C[NH3+])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022221171 171378053 /nfs/dbraw/zinc/37/80/53/171378053.db2.gz JQJMVGYOLPLJQH-VNHYZAJKSA-N 2 2 262.397 2.673 10 0 CFAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161942 172022309 /nfs/dbraw/zinc/02/23/09/172022309.db2.gz PCZXVIBKVNMGTN-OBYDGYHJSA-N 2 2 262.441 2.885 10 0 CFAELP CC[N@H+]1CCC[C@@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161942 172022311 /nfs/dbraw/zinc/02/23/11/172022311.db2.gz PCZXVIBKVNMGTN-OBYDGYHJSA-N 2 2 262.441 2.885 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(F)cc(Br)c1 ZINC000035503548 172237757 /nfs/dbraw/zinc/23/77/57/172237757.db2.gz LHEWNMJXXHGSJK-NSHDSACASA-N 2 2 298.159 2.815 10 0 CFAELP Cc1cccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657486765 413673360 /nfs/dbraw/zinc/67/33/60/413673360.db2.gz JITKZBPGHDEEBN-CYBMUJFWSA-N 2 2 255.365 2.989 10 0 CFAELP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037314063 173115475 /nfs/dbraw/zinc/11/54/75/173115475.db2.gz KGCNNLZOVNOAPA-CBBWQLFWSA-N 2 2 263.385 2.524 10 0 CFAELP C[C@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000037408389 173185298 /nfs/dbraw/zinc/18/52/98/173185298.db2.gz NJCWGRQVJMZOHF-HEHGZKQESA-N 2 2 274.408 2.977 10 0 CFAELP C[C@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000037408389 173185300 /nfs/dbraw/zinc/18/53/00/173185300.db2.gz NJCWGRQVJMZOHF-HEHGZKQESA-N 2 2 274.408 2.977 10 0 CFAELP CC[N@H+](Cc1ccccc1)[C@@H](C[NH3+])CCSC ZINC000037562380 173272860 /nfs/dbraw/zinc/27/28/60/173272860.db2.gz OKBJTXCGOIHFDW-CQSZACIVSA-N 2 2 252.427 2.589 10 0 CFAELP CC[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])CCSC ZINC000037562380 173272861 /nfs/dbraw/zinc/27/28/61/173272861.db2.gz OKBJTXCGOIHFDW-CQSZACIVSA-N 2 2 252.427 2.589 10 0 CFAELP c1coc([C@H](c2ccccc2)[N@H+]2CCC[NH2+]CC2)c1 ZINC000038086954 174097824 /nfs/dbraw/zinc/09/78/24/174097824.db2.gz RAFNFTGDXWUAJS-INIZCTEOSA-N 2 2 256.349 2.664 10 0 CFAELP c1coc([C@H](c2ccccc2)[N@@H+]2CCC[NH2+]CC2)c1 ZINC000038086954 174097826 /nfs/dbraw/zinc/09/78/26/174097826.db2.gz RAFNFTGDXWUAJS-INIZCTEOSA-N 2 2 256.349 2.664 10 0 CFAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc(OC)cc1OC ZINC000038827642 174157330 /nfs/dbraw/zinc/15/73/30/174157330.db2.gz JJODTCTZKIHSFE-HNNXBMFYSA-N 2 2 280.412 2.826 10 0 CFAELP COc1ccccc1[C@@H](C[NH3+])[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000039789064 174172941 /nfs/dbraw/zinc/17/29/41/174172941.db2.gz PXJKIGJDTOGSFR-VNHYZAJKSA-N 2 2 262.397 2.958 10 0 CFAELP COc1ccccc1[C@@H](C[NH3+])[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000039789064 174172944 /nfs/dbraw/zinc/17/29/44/174172944.db2.gz PXJKIGJDTOGSFR-VNHYZAJKSA-N 2 2 262.397 2.958 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000039789163 174173693 /nfs/dbraw/zinc/17/36/93/174173693.db2.gz FLZDUEPXVIBJSK-VNHYZAJKSA-N 2 2 292.423 2.682 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000039789163 174173694 /nfs/dbraw/zinc/17/36/94/174173694.db2.gz FLZDUEPXVIBJSK-VNHYZAJKSA-N 2 2 292.423 2.682 10 0 CFAELP C[NH+](C)CCCn1c2cc(Cl)ccc2[nH+]c1CCC[NH3+] ZINC000040404422 174253667 /nfs/dbraw/zinc/25/36/67/174253667.db2.gz GHYZWRAACSRZRF-UHFFFAOYSA-N 3 2 294.830 2.533 10 0 CFAELP Cc1[nH+]c2ccc(Cl)cc2n1CCC[NH+](C)C ZINC000040404140 174253691 /nfs/dbraw/zinc/25/36/91/174253691.db2.gz ABLPTSCWAUBUKE-UHFFFAOYSA-N 2 2 251.761 2.950 10 0 CFAELP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000040502627 174298950 /nfs/dbraw/zinc/29/89/50/174298950.db2.gz FHLVZLMCOQPDOV-NVXWUHKLSA-N 3 2 281.488 2.571 10 0 CFAELP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000040502627 174298952 /nfs/dbraw/zinc/29/89/52/174298952.db2.gz FHLVZLMCOQPDOV-NVXWUHKLSA-N 3 2 281.488 2.571 10 0 CFAELP Cc1cc(C)c(C[NH3+])c(N(C)Cc2cccs2)[nH+]1 ZINC000040509422 174303386 /nfs/dbraw/zinc/30/33/86/174303386.db2.gz HWSSRCKLDVWADR-UHFFFAOYSA-N 2 2 261.394 2.855 10 0 CFAELP Cc1cc(C)c(C[NH3+])c(N2CCC[C@@H]2c2cccnc2)[nH+]1 ZINC000040509481 174303622 /nfs/dbraw/zinc/30/36/22/174303622.db2.gz JPSCAQFZQNBQSZ-MRXNPFEDSA-N 2 2 282.391 2.894 10 0 CFAELP COc1cccc(C2CC([NH2+]CCc3[nH+]ccn3C)C2)c1 ZINC000040639087 174363103 /nfs/dbraw/zinc/36/31/03/174363103.db2.gz JNTVHIHLPHOWER-UHFFFAOYSA-N 2 2 285.391 2.507 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+][C@H]1CCSc2ccccc21 ZINC000040638764 174363244 /nfs/dbraw/zinc/36/32/44/174363244.db2.gz NLZKBGLCZISEDY-ZDUSSCGKSA-N 2 2 273.405 2.789 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+]C1CC(c2ccccc2F)C1 ZINC000040639089 174363647 /nfs/dbraw/zinc/36/36/47/174363647.db2.gz GSDQHUKDHCMEKH-UHFFFAOYSA-N 2 2 273.355 2.638 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000040639239 174363895 /nfs/dbraw/zinc/36/38/95/174363895.db2.gz GIRYNSSPUJNDLX-ZDUSSCGKSA-N 2 2 291.395 2.928 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+][C@H]1CSCc2ccccc21 ZINC000040639342 174364010 /nfs/dbraw/zinc/36/40/10/174364010.db2.gz ORSAMOVGYMGCBU-AWEZNQCLSA-N 2 2 273.405 2.540 10 0 CFAELP CCC[N@H+](Cc1csc(C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747653 174392652 /nfs/dbraw/zinc/39/26/52/174392652.db2.gz BSFMJFPZDSTIEM-NNQSOWQGSA-N 2 2 279.453 2.947 10 0 CFAELP CCC[N@@H+](Cc1csc(C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747653 174392653 /nfs/dbraw/zinc/39/26/53/174392653.db2.gz BSFMJFPZDSTIEM-NNQSOWQGSA-N 2 2 279.453 2.947 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(-c2cccs2)on1 ZINC000040750260 174394645 /nfs/dbraw/zinc/39/46/45/174394645.db2.gz WZPTWNYWBKQGDA-VGPLMAKISA-N 2 2 289.404 2.857 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(-c2cccs2)on1 ZINC000040750260 174394646 /nfs/dbraw/zinc/39/46/46/174394646.db2.gz WZPTWNYWBKQGDA-VGPLMAKISA-N 2 2 289.404 2.857 10 0 CFAELP Cc1ccsc1[C@@H]([C@H](C)[NH3+])[N@H+](C)C[C@@H]1CCCO1 ZINC000043248436 174992534 /nfs/dbraw/zinc/99/25/34/174992534.db2.gz UMCYKDUFCKYFGR-RWMBFGLXSA-N 2 2 268.426 2.556 10 0 CFAELP Cc1ccsc1[C@@H]([C@H](C)[NH3+])[N@@H+](C)C[C@@H]1CCCO1 ZINC000043248436 174992536 /nfs/dbraw/zinc/99/25/36/174992536.db2.gz UMCYKDUFCKYFGR-RWMBFGLXSA-N 2 2 268.426 2.556 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+](CCO)C1CCCCC1 ZINC000043336138 175012293 /nfs/dbraw/zinc/01/22/93/175012293.db2.gz PGHXHFBQXRWWKS-ZBFHGGJFSA-N 2 2 280.412 2.685 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+](CCO)C1CCCCC1 ZINC000043336138 175012294 /nfs/dbraw/zinc/01/22/94/175012294.db2.gz PGHXHFBQXRWWKS-ZBFHGGJFSA-N 2 2 280.412 2.685 10 0 CFAELP [NH3+]C[C@@H](c1ccco1)n1cc[nH+]c1-c1ccccc1 ZINC000043336471 175012446 /nfs/dbraw/zinc/01/24/46/175012446.db2.gz BIEVEOKIBDXZCL-ZDUSSCGKSA-N 2 2 253.305 2.691 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[NH+]1CCC(CC)CC1 ZINC000043339930 175013722 /nfs/dbraw/zinc/01/37/22/175013722.db2.gz QHNMVMKXZIXVKB-GOEBONIOSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043341031 175015422 /nfs/dbraw/zinc/01/54/22/175015422.db2.gz CXDMHOHIOLKEGY-QRTARXTBSA-N 2 2 291.439 2.607 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043341031 175015424 /nfs/dbraw/zinc/01/54/24/175015424.db2.gz CXDMHOHIOLKEGY-QRTARXTBSA-N 2 2 291.439 2.607 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+](CC1CC1)C(C)C ZINC000043354688 175022118 /nfs/dbraw/zinc/02/21/18/175022118.db2.gz XIALQTHABFAVQM-HZPDHXFCSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](CC1CC1)C(C)C ZINC000043354688 175022119 /nfs/dbraw/zinc/02/21/19/175022119.db2.gz XIALQTHABFAVQM-HZPDHXFCSA-N 2 2 261.413 2.980 10 0 CFAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@H+](CCO)C2CCCCC2)o1 ZINC000043365193 175026066 /nfs/dbraw/zinc/02/60/66/175026066.db2.gz SDCWMOUTEISNBD-BBRMVZONSA-N 2 2 280.412 2.603 10 0 CFAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@@H+](CCO)C2CCCCC2)o1 ZINC000043365193 175026068 /nfs/dbraw/zinc/02/60/68/175026068.db2.gz SDCWMOUTEISNBD-BBRMVZONSA-N 2 2 280.412 2.603 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043364997 175026243 /nfs/dbraw/zinc/02/62/43/175026243.db2.gz LLXWIIGKFWUQCD-NVXWUHKLSA-N 3 2 293.455 2.640 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@H]([C@H](C)[NH3+])C(F)(F)F ZINC000043379401 175030825 /nfs/dbraw/zinc/03/08/25/175030825.db2.gz PFYDWJDTONPXCC-WRWORJQWSA-N 2 2 257.259 2.795 10 0 CFAELP C[C@H](C[C@@H](C[NH3+])[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000043534831 175062657 /nfs/dbraw/zinc/06/26/57/175062657.db2.gz ZZQINAKZTXCEOK-ZBFHGGJFSA-N 2 2 276.424 2.618 10 0 CFAELP C[C@H](C[C@@H](C[NH3+])[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000043534831 175062658 /nfs/dbraw/zinc/06/26/58/175062658.db2.gz ZZQINAKZTXCEOK-ZBFHGGJFSA-N 2 2 276.424 2.618 10 0 CFAELP C[C@H](C[C@H](C[NH3+])[N@H+](C)C[C@@H]1CCCO1)c1ccccc1 ZINC000043534953 175063259 /nfs/dbraw/zinc/06/32/59/175063259.db2.gz PUPAUNPYEVRVCN-OIISXLGYSA-N 2 2 276.424 2.618 10 0 CFAELP C[C@H](C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCO1)c1ccccc1 ZINC000043534953 175063261 /nfs/dbraw/zinc/06/32/61/175063261.db2.gz PUPAUNPYEVRVCN-OIISXLGYSA-N 2 2 276.424 2.618 10 0 CFAELP C([C@H]1C[NH2+]CCO1)[NH+](C1CCCCC1)C1CCCCC1 ZINC000043801891 175107102 /nfs/dbraw/zinc/10/71/02/175107102.db2.gz SNZFKSKJGHVGCN-QGZVFWFLSA-N 2 2 280.456 2.942 10 0 CFAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)Cc1ccncc1 ZINC000043894040 175119510 /nfs/dbraw/zinc/11/95/10/175119510.db2.gz CGMNUUCBPLRNAF-BMFZPTHFSA-N 2 2 261.413 2.680 10 0 CFAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)Cc1ccncc1 ZINC000043894040 175119512 /nfs/dbraw/zinc/11/95/12/175119512.db2.gz CGMNUUCBPLRNAF-BMFZPTHFSA-N 2 2 261.413 2.680 10 0 CFAELP C[NH2+][C@@H](C)c1ccc(OC)c(C[N@@H+]2CCOC(C)(C)C2)c1 ZINC000043897771 175120448 /nfs/dbraw/zinc/12/04/48/175120448.db2.gz OOACFNJJANZWFF-ZDUSSCGKSA-N 2 2 292.423 2.586 10 0 CFAELP C[NH2+][C@@H](C)c1ccc(OC)c(C[N@H+]2CCOC(C)(C)C2)c1 ZINC000043897771 175120450 /nfs/dbraw/zinc/12/04/50/175120450.db2.gz OOACFNJJANZWFF-ZDUSSCGKSA-N 2 2 292.423 2.586 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898379 175121051 /nfs/dbraw/zinc/12/10/51/175121051.db2.gz ANABROREAMTAEI-CVEARBPZSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898379 175121052 /nfs/dbraw/zinc/12/10/52/175121052.db2.gz ANABROREAMTAEI-CVEARBPZSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+]1CCOC[C@@H]1CC ZINC000043899349 175122088 /nfs/dbraw/zinc/12/20/88/175122088.db2.gz OMCFSSPSVURWED-JYJNAYRXSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@@H]1[N@H+]1CCOC[C@@H]1CC ZINC000043899349 175122090 /nfs/dbraw/zinc/12/20/90/175122090.db2.gz OMCFSSPSVURWED-JYJNAYRXSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911587 175123576 /nfs/dbraw/zinc/12/35/76/175123576.db2.gz VZKBCECDQVGSIX-CVEARBPZSA-N 2 2 262.397 2.658 10 0 CFAELP CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911587 175123578 /nfs/dbraw/zinc/12/35/78/175123578.db2.gz VZKBCECDQVGSIX-CVEARBPZSA-N 2 2 262.397 2.658 10 0 CFAELP CC[NH2+][C@@H](C)CC[N@H+](C)Cc1ccccc1OC ZINC000043912274 175123847 /nfs/dbraw/zinc/12/38/47/175123847.db2.gz DXAHLKAIMROYDW-ZDUSSCGKSA-N 2 2 250.386 2.515 10 0 CFAELP CC[NH2+][C@@H](C)CC[N@@H+](C)Cc1ccccc1OC ZINC000043912274 175123848 /nfs/dbraw/zinc/12/38/48/175123848.db2.gz DXAHLKAIMROYDW-ZDUSSCGKSA-N 2 2 250.386 2.515 10 0 CFAELP CC[NH2+][C@@H](CC)[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911599 175123862 /nfs/dbraw/zinc/12/38/62/175123862.db2.gz GSUDGMMGYSGHDL-CJNGLKHVSA-N 2 2 264.413 2.904 10 0 CFAELP CC[NH2+][C@@H](CC)[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911599 175123863 /nfs/dbraw/zinc/12/38/63/175123863.db2.gz GSUDGMMGYSGHDL-CJNGLKHVSA-N 2 2 264.413 2.904 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@H](C(C)C)[N@H+](C)CCOC ZINC000043915917 175125001 /nfs/dbraw/zinc/12/50/01/175125001.db2.gz NSOKAHPSWJVJFX-SJORKVTESA-N 2 2 278.440 2.940 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@H](C(C)C)[N@@H+](C)CCOC ZINC000043915917 175125002 /nfs/dbraw/zinc/12/50/02/175125002.db2.gz NSOKAHPSWJVJFX-SJORKVTESA-N 2 2 278.440 2.940 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+]1CCOCC1(C)C ZINC000043916991 175125564 /nfs/dbraw/zinc/12/55/64/175125564.db2.gz CDAGSITXRGRWTN-HUUCEWRRSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@H]1[N@H+]1CCOCC1(C)C ZINC000043916991 175125565 /nfs/dbraw/zinc/12/55/65/175125565.db2.gz CDAGSITXRGRWTN-HUUCEWRRSA-N 2 2 268.445 2.798 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966384 175127768 /nfs/dbraw/zinc/12/77/68/175127768.db2.gz WSZUBNPCTAOIAE-ARFHVFGLSA-N 2 2 268.445 2.798 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966384 175127770 /nfs/dbraw/zinc/12/77/70/175127770.db2.gz WSZUBNPCTAOIAE-ARFHVFGLSA-N 2 2 268.445 2.798 10 0 CFAELP CC[N@H+](Cc1ccncc1)[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000043968859 175129931 /nfs/dbraw/zinc/12/99/31/175129931.db2.gz BECMEPBZYYSZST-MSOLQXFVSA-N 2 2 281.403 2.789 10 0 CFAELP CC[N@@H+](Cc1ccncc1)[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000043968859 175129933 /nfs/dbraw/zinc/12/99/33/175129933.db2.gz BECMEPBZYYSZST-MSOLQXFVSA-N 2 2 281.403 2.789 10 0 CFAELP CCCc1ccc([C@H](C[N@H+](C)[C@@H](C)COC)[NH2+]C)cc1 ZINC000043969108 175130252 /nfs/dbraw/zinc/13/02/52/175130252.db2.gz RTJGXOUITQXOKM-YOEHRIQHSA-N 2 2 278.440 2.866 10 0 CFAELP CCCc1ccc([C@H](C[N@@H+](C)[C@@H](C)COC)[NH2+]C)cc1 ZINC000043969108 175130254 /nfs/dbraw/zinc/13/02/54/175130254.db2.gz RTJGXOUITQXOKM-YOEHRIQHSA-N 2 2 278.440 2.866 10 0 CFAELP C[NH2+][C@H]1c2ccccc2CCC[C@H]1[N@H+](CCOC)C1CC1 ZINC000043969595 175130686 /nfs/dbraw/zinc/13/06/86/175130686.db2.gz RQGPFJYZFMNJCW-MSOLQXFVSA-N 2 2 288.435 2.763 10 0 CFAELP C[NH2+][C@H]1c2ccccc2CCC[C@H]1[N@@H+](CCOC)C1CC1 ZINC000043969595 175130688 /nfs/dbraw/zinc/13/06/88/175130688.db2.gz RQGPFJYZFMNJCW-MSOLQXFVSA-N 2 2 288.435 2.763 10 0 CFAELP CCc1ccc([C@H]([NH2+]C)[C@H](C)[N@H+](C)[C@@H](C)COC)cc1 ZINC000043969143 175130714 /nfs/dbraw/zinc/13/07/14/175130714.db2.gz GOLINOUWNYWZRT-GRDNDAEWSA-N 2 2 278.440 2.865 10 0 CFAELP CCc1ccc([C@H]([NH2+]C)[C@H](C)[N@@H+](C)[C@@H](C)COC)cc1 ZINC000043969143 175130715 /nfs/dbraw/zinc/13/07/15/175130715.db2.gz GOLINOUWNYWZRT-GRDNDAEWSA-N 2 2 278.440 2.865 10 0 CFAELP CCC[NH2+][C@H]1CCC[C@@H]1[N@H+](CC)Cc1ccncc1 ZINC000043968938 175130752 /nfs/dbraw/zinc/13/07/52/175130752.db2.gz MUXCUWRVEQUROY-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@H]1CCC[C@@H]1[N@@H+](CC)Cc1ccncc1 ZINC000043968938 175130753 /nfs/dbraw/zinc/13/07/53/175130753.db2.gz MUXCUWRVEQUROY-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2CC[C@H]1[N@H+](CCOC)C1CC1 ZINC000043970034 175131448 /nfs/dbraw/zinc/13/14/48/175131448.db2.gz DSDOIEXRHRSPKJ-MSOLQXFVSA-N 2 2 288.435 2.763 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2CC[C@H]1[N@@H+](CCOC)C1CC1 ZINC000043970034 175131450 /nfs/dbraw/zinc/13/14/50/175131450.db2.gz DSDOIEXRHRSPKJ-MSOLQXFVSA-N 2 2 288.435 2.763 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)[C@@H](C)C(C)(C)C)OCCO2 ZINC000043979268 175133747 /nfs/dbraw/zinc/13/37/47/175133747.db2.gz IRTYKNPXRPAQGU-SOUVJXGZSA-N 2 2 298.471 2.627 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)[C@@H](C)C(C)(C)C)OCCO2 ZINC000043979268 175133748 /nfs/dbraw/zinc/13/37/48/175133748.db2.gz IRTYKNPXRPAQGU-SOUVJXGZSA-N 2 2 298.471 2.627 10 0 CFAELP CCC[NH2+][C@@H](C[N@H+](CC)[C@@H](C)COC)C(C)(C)C ZINC000043981753 175134148 /nfs/dbraw/zinc/13/41/48/175134148.db2.gz GVVHUVBKDMQAIK-KBPBESRZSA-N 2 2 258.450 2.758 10 0 CFAELP CCC[NH2+][C@@H](C[N@@H+](CC)[C@@H](C)COC)C(C)(C)C ZINC000043981753 175134149 /nfs/dbraw/zinc/13/41/49/175134149.db2.gz GVVHUVBKDMQAIK-KBPBESRZSA-N 2 2 258.450 2.758 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@@H]1n1c[nH+]c2cc(C)c(C)cc21 ZINC000043996641 175137071 /nfs/dbraw/zinc/13/70/71/175137071.db2.gz IJVQASWTOJKRGP-PBHICJAKSA-N 2 2 287.407 2.983 10 0 CFAELP CC(C)[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC000044121151 175142933 /nfs/dbraw/zinc/14/29/33/175142933.db2.gz YGXZPORSFDTYNV-ROUUACIJSA-N 2 2 290.451 2.771 10 0 CFAELP CC(C)[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000044121151 175142935 /nfs/dbraw/zinc/14/29/35/175142935.db2.gz YGXZPORSFDTYNV-ROUUACIJSA-N 2 2 290.451 2.771 10 0 CFAELP CSCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)o1 ZINC000044533015 175196438 /nfs/dbraw/zinc/19/64/38/175196438.db2.gz SANCOMSCCURLRJ-LBPRGKRZSA-N 2 2 268.426 2.574 10 0 CFAELP CSCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000044533015 175196440 /nfs/dbraw/zinc/19/64/40/175196440.db2.gz SANCOMSCCURLRJ-LBPRGKRZSA-N 2 2 268.426 2.574 10 0 CFAELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3ccccc3s2)C1 ZINC000044536066 175199234 /nfs/dbraw/zinc/19/92/34/175199234.db2.gz REABBUZTNGLTQQ-GFCCVEGCSA-N 2 2 275.421 2.728 10 0 CFAELP C[N@H+]1CCC[C@H](C[NH2+]Cc2nc3ccccc3s2)C1 ZINC000044536066 175199236 /nfs/dbraw/zinc/19/92/36/175199236.db2.gz REABBUZTNGLTQQ-GFCCVEGCSA-N 2 2 275.421 2.728 10 0 CFAELP COc1ccc(OC)c([C@@H](C)[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044539599 175200629 /nfs/dbraw/zinc/20/06/29/175200629.db2.gz DIIXHTKZCNKWRJ-CHWSQXEVSA-N 2 2 278.396 2.578 10 0 CFAELP COc1ccc(OC)c([C@@H](C)[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044539599 175200630 /nfs/dbraw/zinc/20/06/30/175200630.db2.gz DIIXHTKZCNKWRJ-CHWSQXEVSA-N 2 2 278.396 2.578 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000044557621 175202542 /nfs/dbraw/zinc/20/25/42/175202542.db2.gz AAGFVSDJXJJUET-CYBMUJFWSA-N 2 2 268.788 2.532 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@H+]1CCOc1ccc(Cl)cc1 ZINC000044557621 175202543 /nfs/dbraw/zinc/20/25/43/175202543.db2.gz AAGFVSDJXJJUET-CYBMUJFWSA-N 2 2 268.788 2.532 10 0 CFAELP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000044561426 175205141 /nfs/dbraw/zinc/20/51/41/175205141.db2.gz BIFWVTZINFCUOP-DOTOQJQBSA-N 3 2 281.488 2.571 10 0 CFAELP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C)CC1 ZINC000044561426 175205142 /nfs/dbraw/zinc/20/51/42/175205142.db2.gz BIFWVTZINFCUOP-DOTOQJQBSA-N 3 2 281.488 2.571 10 0 CFAELP COc1cccc(C2CC([NH2+][C@H]3CC[N@@H+](C4CC4)C3)C2)c1 ZINC000044686005 175231448 /nfs/dbraw/zinc/23/14/48/175231448.db2.gz ACFKIBHJWXBZCI-PCKAHOCUSA-N 2 2 286.419 2.768 10 0 CFAELP COc1cccc(C2CC([NH2+][C@H]3CC[N@H+](C4CC4)C3)C2)c1 ZINC000044686005 175231450 /nfs/dbraw/zinc/23/14/50/175231450.db2.gz ACFKIBHJWXBZCI-PCKAHOCUSA-N 2 2 286.419 2.768 10 0 CFAELP [NH3+]C[C@@H](c1ccncc1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067559 175300295 /nfs/dbraw/zinc/30/02/95/175300295.db2.gz MQLSWZIIDWZTND-CVEARBPZSA-N 2 2 259.397 2.736 10 0 CFAELP [NH3+]C[C@@H](c1ccncc1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067559 175300297 /nfs/dbraw/zinc/30/02/97/175300297.db2.gz MQLSWZIIDWZTND-CVEARBPZSA-N 2 2 259.397 2.736 10 0 CFAELP CC[NH2+][C@@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC000045373578 175364670 /nfs/dbraw/zinc/36/46/70/175364670.db2.gz WJYYBXHICTXQRO-UXLLHSPISA-N 2 2 298.471 2.676 10 0 CFAELP CC[NH2+][C@@](C)(CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC000045373578 175364671 /nfs/dbraw/zinc/36/46/71/175364671.db2.gz WJYYBXHICTXQRO-UXLLHSPISA-N 2 2 298.471 2.676 10 0 CFAELP COC(=O)[C@@](C)(CCCC[NH+]1CCC(C)CC1)[NH2+]C(C)C ZINC000045374847 175365230 /nfs/dbraw/zinc/36/52/30/175365230.db2.gz VFSYRPBSJDEWHE-QGZVFWFLSA-N 2 2 298.471 2.818 10 0 CFAELP CCC[NH2+][C@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373613 175365452 /nfs/dbraw/zinc/36/54/52/175365452.db2.gz VKQVBZYECYXWGL-HLLBOEOZSA-N 2 2 298.471 2.676 10 0 CFAELP CCC[NH2+][C@](C)(CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373613 175365453 /nfs/dbraw/zinc/36/54/53/175365453.db2.gz VKQVBZYECYXWGL-HLLBOEOZSA-N 2 2 298.471 2.676 10 0 CFAELP COC(=O)[C@](C)(CCC[N@@H+]1CCCC[C@@H]1C)[NH2+]C(C)C ZINC000045376167 175366171 /nfs/dbraw/zinc/36/61/71/175366171.db2.gz NQFJUJWYDODTIU-HOCLYGCPSA-N 2 2 284.444 2.571 10 0 CFAELP COC(=O)[C@](C)(CCC[N@H+]1CCCC[C@@H]1C)[NH2+]C(C)C ZINC000045376167 175366172 /nfs/dbraw/zinc/36/61/72/175366172.db2.gz NQFJUJWYDODTIU-HOCLYGCPSA-N 2 2 284.444 2.571 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@@H+]1CCCC[C@@H]1C)[NH2+]C1CC1 ZINC000045376178 175366657 /nfs/dbraw/zinc/36/66/57/175366657.db2.gz CSBWUJNNMHBKMI-WMLDXEAASA-N 2 2 296.455 2.715 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@H+]1CCCC[C@@H]1C)[NH2+]C1CC1 ZINC000045376178 175366658 /nfs/dbraw/zinc/36/66/58/175366658.db2.gz CSBWUJNNMHBKMI-WMLDXEAASA-N 2 2 296.455 2.715 10 0 CFAELP CCOC(=O)[C@](C)(CCC[NH+]1CCCCC1)[NH2+]C(C)C ZINC000045378365 175367389 /nfs/dbraw/zinc/36/73/89/175367389.db2.gz CCZZYGQEMGAMRB-INIZCTEOSA-N 2 2 284.444 2.572 10 0 CFAELP CC[NH2+][C@@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379712 175368996 /nfs/dbraw/zinc/36/89/96/175368996.db2.gz LAXVJLZBYCIKTQ-LZWOXQAQSA-N 2 2 284.444 2.571 10 0 CFAELP CC[NH2+][C@@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379712 175368997 /nfs/dbraw/zinc/36/89/97/175368997.db2.gz LAXVJLZBYCIKTQ-LZWOXQAQSA-N 2 2 284.444 2.571 10 0 CFAELP CC[NH2+][C@@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045379724 175369163 /nfs/dbraw/zinc/36/91/63/175369163.db2.gz UASFCYKALHAIKH-ZOBUZTSGSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@@H+]1CCC[C@@H](CC)C1)[NH2+]C ZINC000045393368 175376338 /nfs/dbraw/zinc/37/63/38/175376338.db2.gz UBCSLVYKTFUFJH-WBVHZDCISA-N 2 2 298.471 2.820 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@H+]1CCC[C@@H](CC)C1)[NH2+]C ZINC000045393368 175376340 /nfs/dbraw/zinc/37/63/40/175376340.db2.gz UBCSLVYKTFUFJH-WBVHZDCISA-N 2 2 298.471 2.820 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H](CC)C1)C(=O)OC ZINC000045393383 175376471 /nfs/dbraw/zinc/37/64/71/175376471.db2.gz QTMLSMNWZITERF-WBVHZDCISA-N 2 2 298.471 2.820 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@H+]1CCC[C@@H](CC)C1)C(=O)OC ZINC000045393383 175376472 /nfs/dbraw/zinc/37/64/72/175376472.db2.gz QTMLSMNWZITERF-WBVHZDCISA-N 2 2 298.471 2.820 10 0 CFAELP CCCOc1cccc(C[NH2+]CCc2c[nH]c[nH+]2)c1 ZINC000045946360 175387997 /nfs/dbraw/zinc/38/79/97/175387997.db2.gz YHZBECWSJVTHDN-UHFFFAOYSA-N 2 2 259.353 2.531 10 0 CFAELP CCCOc1cccc(C[NH2+]CCc2c[nH+]c[nH]2)c1 ZINC000045946360 175387998 /nfs/dbraw/zinc/38/79/98/175387998.db2.gz YHZBECWSJVTHDN-UHFFFAOYSA-N 2 2 259.353 2.531 10 0 CFAELP CCc1cccc2c(C[N@H+](C)[C@H]3CC[NH2+]C3)c[nH]c21 ZINC000071309795 176116909 /nfs/dbraw/zinc/11/69/09/176116909.db2.gz FXFGNZOBLAAEFT-AWEZNQCLSA-N 2 2 257.381 2.524 10 0 CFAELP CCc1cccc2c(C[N@@H+](C)[C@H]3CC[NH2+]C3)c[nH]c21 ZINC000071309795 176116910 /nfs/dbraw/zinc/11/69/10/176116910.db2.gz FXFGNZOBLAAEFT-AWEZNQCLSA-N 2 2 257.381 2.524 10 0 CFAELP CCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000233791183 276373380 /nfs/dbraw/zinc/37/33/80/276373380.db2.gz PFKPBPALEJSENU-UKRRQHHQSA-N 2 2 262.397 2.645 10 0 CFAELP CCOc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000233791183 276373383 /nfs/dbraw/zinc/37/33/83/276373383.db2.gz PFKPBPALEJSENU-UKRRQHHQSA-N 2 2 262.397 2.645 10 0 CFAELP COc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])cc1C ZINC000261565314 281112122 /nfs/dbraw/zinc/11/21/22/281112122.db2.gz FGOGDAJZJOXQLD-WFASDCNBSA-N 2 2 262.397 2.563 10 0 CFAELP COc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])cc1C ZINC000261565314 281112125 /nfs/dbraw/zinc/11/21/25/281112125.db2.gz FGOGDAJZJOXQLD-WFASDCNBSA-N 2 2 262.397 2.563 10 0 CFAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccc(F)cc1F ZINC000396692428 281197046 /nfs/dbraw/zinc/19/70/46/281197046.db2.gz ZLKPNJUUXJQVBP-IMSIIYSGSA-N 2 2 254.324 2.756 10 0 CFAELP CC[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000192850542 324066300 /nfs/dbraw/zinc/06/63/00/324066300.db2.gz ADQLDKLIOMNEPR-GOEBONIOSA-N 2 2 261.413 2.634 10 0 CFAELP CC[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000192850542 324066302 /nfs/dbraw/zinc/06/63/02/324066302.db2.gz ADQLDKLIOMNEPR-GOEBONIOSA-N 2 2 261.413 2.634 10 0 CFAELP CC[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000192850542 324066304 /nfs/dbraw/zinc/06/63/04/324066304.db2.gz ADQLDKLIOMNEPR-GOEBONIOSA-N 2 2 261.413 2.634 10 0 CFAELP CC[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000192850542 324066307 /nfs/dbraw/zinc/06/63/07/324066307.db2.gz ADQLDKLIOMNEPR-GOEBONIOSA-N 2 2 261.413 2.634 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccco1 ZINC000062771670 519341703 /nfs/dbraw/zinc/34/17/03/519341703.db2.gz XQXDHCNXHSUXFZ-UONOGXRCSA-N 2 2 252.402 2.777 10 0 CFAELP CCCC[C@](CC)(C[NH3+])[N@H+](CCOC)CC(C)C ZINC000069380336 521252892 /nfs/dbraw/zinc/25/28/92/521252892.db2.gz SORIGEGRLCPYMW-OAHLLOKOSA-N 2 2 258.450 2.889 10 0 CFAELP CCCC[C@](CC)(C[NH3+])[N@@H+](CCOC)CC(C)C ZINC000069380336 521252898 /nfs/dbraw/zinc/25/28/98/521252898.db2.gz SORIGEGRLCPYMW-OAHLLOKOSA-N 2 2 258.450 2.889 10 0 CFAELP CC(C)(C)[NH2+]Cc1nc(C[N@@H+]2CCCSCC2)cs1 ZINC000052370970 518768910 /nfs/dbraw/zinc/76/89/10/518768910.db2.gz BZQGOEQRBVSDKM-UHFFFAOYSA-N 2 2 299.509 2.970 10 0 CFAELP CC(C)(C)[NH2+]Cc1nc(C[N@H+]2CCCSCC2)cs1 ZINC000052370970 518768916 /nfs/dbraw/zinc/76/89/16/518768916.db2.gz BZQGOEQRBVSDKM-UHFFFAOYSA-N 2 2 299.509 2.970 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000049198680 519814844 /nfs/dbraw/zinc/81/48/44/519814844.db2.gz KIIYDPKZSNBJQV-SJORKVTESA-N 2 2 260.425 2.720 10 0 CFAELP CC(C)c1nc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cs1 ZINC000049277416 519863905 /nfs/dbraw/zinc/86/39/05/519863905.db2.gz VRJXWIAOBDUOCJ-VGPLMAKISA-N 2 2 265.426 2.721 10 0 CFAELP CC(C)c1nc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cs1 ZINC000049277416 519863907 /nfs/dbraw/zinc/86/39/07/519863907.db2.gz VRJXWIAOBDUOCJ-VGPLMAKISA-N 2 2 265.426 2.721 10 0 CFAELP CCCC1CC[NH+](Cc2csc(C[NH3+])n2)CC1 ZINC000052373964 519902842 /nfs/dbraw/zinc/90/28/42/519902842.db2.gz ZSDKUKFVPSGYBY-UHFFFAOYSA-N 2 2 253.415 2.614 10 0 CFAELP CC[NH2+]C[C@H]1CCCC[N@@H+]1CCCOc1ccccc1 ZINC000061815937 519975928 /nfs/dbraw/zinc/97/59/28/519975928.db2.gz NWEWFUPMGDVAAG-MRXNPFEDSA-N 2 2 276.424 2.920 10 0 CFAELP CC[NH2+]C[C@H]1CCCC[N@H+]1CCCOc1ccccc1 ZINC000061815937 519975937 /nfs/dbraw/zinc/97/59/37/519975937.db2.gz NWEWFUPMGDVAAG-MRXNPFEDSA-N 2 2 276.424 2.920 10 0 CFAELP CC[NH2+]Cc1ccc(C[NH+]2Cc3ccccc3C2)o1 ZINC000052374340 519995107 /nfs/dbraw/zinc/99/51/07/519995107.db2.gz QBFOXILFPPHTBK-UHFFFAOYSA-N 2 2 256.349 2.905 10 0 CFAELP CCC[NH2+][C@H](CCC)C[N@@H+]1CCC[C@H](OCC)C1 ZINC000050185439 520069205 /nfs/dbraw/zinc/06/92/05/520069205.db2.gz PMWDBVOQJDITKI-CABCVRRESA-N 2 2 256.434 2.656 10 0 CFAELP CCC[NH2+][C@H](CCC)C[N@H+]1CCC[C@H](OCC)C1 ZINC000050185439 520069217 /nfs/dbraw/zinc/06/92/17/520069217.db2.gz PMWDBVOQJDITKI-CABCVRRESA-N 2 2 256.434 2.656 10 0 CFAELP CCCCCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000157961999 520075766 /nfs/dbraw/zinc/07/57/66/520075766.db2.gz MBSWAWZLHBIIIP-UHFFFAOYSA-N 2 2 292.471 2.860 10 0 CFAELP CCCCCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000157961999 520075771 /nfs/dbraw/zinc/07/57/71/520075771.db2.gz MBSWAWZLHBIIIP-UHFFFAOYSA-N 2 2 292.471 2.860 10 0 CFAELP Cc1ccsc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151288355 534480613 /nfs/dbraw/zinc/48/06/13/534480613.db2.gz JFVXDQFOKHBDRU-KGLIPLIRSA-N 2 2 282.453 2.554 10 0 CFAELP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151288479 534481670 /nfs/dbraw/zinc/48/16/70/534481670.db2.gz JFVXDQFOKHBDRU-ZIAGYGMSSA-N 2 2 282.453 2.554 10 0 CFAELP CCNc1[nH+]c2ccccc2cc1Cn1cc[nH+]c1 ZINC000050818568 520359461 /nfs/dbraw/zinc/35/94/61/520359461.db2.gz UFWGLJPGZLMHFV-UHFFFAOYSA-N 2 2 252.321 2.911 10 0 CFAELP CC[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000069237359 520969021 /nfs/dbraw/zinc/96/90/21/520969021.db2.gz SDUJGPSMYIDECJ-HNNXBMFYSA-N 2 2 250.361 2.866 10 0 CFAELP CC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000069237359 520969027 /nfs/dbraw/zinc/96/90/27/520969027.db2.gz SDUJGPSMYIDECJ-HNNXBMFYSA-N 2 2 250.361 2.866 10 0 CFAELP CC[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC)CC1CC1 ZINC000069239690 521004071 /nfs/dbraw/zinc/00/40/71/521004071.db2.gz YRIQISDKXDTHNT-QGZVFWFLSA-N 2 2 296.455 2.572 10 0 CFAELP CC[N@@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC)CC1CC1 ZINC000069239690 521004079 /nfs/dbraw/zinc/00/40/79/521004079.db2.gz YRIQISDKXDTHNT-QGZVFWFLSA-N 2 2 296.455 2.572 10 0 CFAELP CCOC1CC[NH+]([C@H](C[NH3+])c2ccc(OC)c(C)c2)CC1 ZINC000050596728 521656966 /nfs/dbraw/zinc/65/69/66/521656966.db2.gz IRGXINVVGSFJIH-MRXNPFEDSA-N 2 2 292.423 2.504 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)c(F)c2)C1 ZINC000328370943 521715216 /nfs/dbraw/zinc/71/52/16/521715216.db2.gz SCAKSEYNDBDJNP-DGCLKSJQSA-N 2 2 266.360 2.579 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)c(F)c2)C1 ZINC000328370943 521715217 /nfs/dbraw/zinc/71/52/17/521715217.db2.gz SCAKSEYNDBDJNP-DGCLKSJQSA-N 2 2 266.360 2.579 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(F)c2)C1 ZINC000328370952 521721803 /nfs/dbraw/zinc/72/18/03/521721803.db2.gz SCAKSEYNDBDJNP-YPMHNXCESA-N 2 2 266.360 2.579 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(F)c2)C1 ZINC000328370952 521721804 /nfs/dbraw/zinc/72/18/04/521721804.db2.gz SCAKSEYNDBDJNP-YPMHNXCESA-N 2 2 266.360 2.579 10 0 CFAELP COc1c(C)c[nH+]c(C[C@@H](C(C)C)[C@H](C)[NH3+])c1C ZINC000061686267 521815270 /nfs/dbraw/zinc/81/52/70/521815270.db2.gz JBDPUJFORRRPOT-STQMWFEESA-N 2 2 250.386 2.869 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@@H+](CCOC)[C@@H](C)CC ZINC000052203819 521930596 /nfs/dbraw/zinc/93/05/96/521930596.db2.gz IDAYIQLAKZDUDC-WMLDXEAASA-N 2 2 278.440 2.996 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@H+](CCOC)[C@@H](C)CC ZINC000052203819 521930599 /nfs/dbraw/zinc/93/05/99/521930599.db2.gz IDAYIQLAKZDUDC-WMLDXEAASA-N 2 2 278.440 2.996 10 0 CFAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccccc1Cl ZINC000062803038 522645827 /nfs/dbraw/zinc/64/58/27/522645827.db2.gz BHOCRYNPLRPOOI-GFCCVEGCSA-N 2 2 263.772 2.865 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[NH+]1CCC(C)(C)CC1 ZINC000061818552 522649762 /nfs/dbraw/zinc/64/97/62/522649762.db2.gz VLAOZZPVKYSXNA-HUUCEWRRSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@@H]([NH2+][C@@H](C)C[NH+]1CCCC1)c1ccc(O)cc1 ZINC000049149489 522908227 /nfs/dbraw/zinc/90/82/27/522908227.db2.gz RJLDAXLWMHZDJO-XJKSGUPXSA-N 2 2 262.397 2.917 10 0 CFAELP CCn1c2ccccc2[nH+]c1CCC1CC[NH2+]CC1 ZINC000050926753 523285717 /nfs/dbraw/zinc/28/57/17/523285717.db2.gz LYEWQVUXRONCJW-UHFFFAOYSA-N 2 2 257.381 2.988 10 0 CFAELP CC[C@H]1CO[C@@H](C)C[N@@H+]1[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052570740 523347132 /nfs/dbraw/zinc/34/71/32/523347132.db2.gz ALIUYDKDITYSTR-KKUMJFAQSA-N 2 2 270.461 2.898 10 0 CFAELP CC[C@H]1CO[C@@H](C)C[N@H+]1[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052570740 523347140 /nfs/dbraw/zinc/34/71/40/523347140.db2.gz ALIUYDKDITYSTR-KKUMJFAQSA-N 2 2 270.461 2.898 10 0 CFAELP C[N@H+](Cc1csc(C[NH3+])n1)CC1CCCCC1 ZINC000052346772 523525391 /nfs/dbraw/zinc/52/53/91/523525391.db2.gz HRJUZIXVCRJFJY-UHFFFAOYSA-N 2 2 253.415 2.614 10 0 CFAELP C[N@@H+](Cc1csc(C[NH3+])n1)CC1CCCCC1 ZINC000052346772 523525377 /nfs/dbraw/zinc/52/53/77/523525377.db2.gz HRJUZIXVCRJFJY-UHFFFAOYSA-N 2 2 253.415 2.614 10 0 CFAELP CCn1ccnc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516362 523536947 /nfs/dbraw/zinc/53/69/47/523536947.db2.gz UNJLVNVNPVWKHC-OAHLLOKOSA-N 2 2 299.422 2.540 10 0 CFAELP CCn1ccnc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516362 523536963 /nfs/dbraw/zinc/53/69/63/523536963.db2.gz UNJLVNVNPVWKHC-OAHLLOKOSA-N 2 2 299.422 2.540 10 0 CFAELP CC[C@H](C)[NH2+]CC[NH2+][C@H](C)c1sc(C)nc1C ZINC000049538836 524004056 /nfs/dbraw/zinc/00/40/56/524004056.db2.gz FJIVURZIRGCYCR-VHSXEESVSA-N 2 2 255.431 2.799 10 0 CFAELP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)cc1 ZINC000049150219 524154057 /nfs/dbraw/zinc/15/40/57/524154057.db2.gz JXBBQRNCPDYALA-GJZGRUSLSA-N 2 2 276.424 2.700 10 0 CFAELP COc1cccc([C@H](C[NH3+])[NH+]2CCC(C)(C)CC2)c1 ZINC000061818315 524158087 /nfs/dbraw/zinc/15/80/87/524158087.db2.gz YQRJJNFOKSRVDM-HNNXBMFYSA-N 2 2 262.397 2.817 10 0 CFAELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCOc2ccccc21 ZINC000049149748 524594472 /nfs/dbraw/zinc/59/44/72/524594472.db2.gz KZCIOZOMTYBPAP-ZFWWWQNUSA-N 2 2 260.381 2.584 10 0 CFAELP C[C@H]([NH3+])[C@H](c1ccccc1)[N@H+](CCO)Cc1ccccc1 ZINC000050513926 524854231 /nfs/dbraw/zinc/85/42/31/524854231.db2.gz FOOFIPOXJFFPDY-MAUKXSAKSA-N 2 2 284.403 2.569 10 0 CFAELP C[C@H]([NH3+])[C@H](c1ccccc1)[N@@H+](CCO)Cc1ccccc1 ZINC000050513926 524854235 /nfs/dbraw/zinc/85/42/35/524854235.db2.gz FOOFIPOXJFFPDY-MAUKXSAKSA-N 2 2 284.403 2.569 10 0 CFAELP C[C@@H]1C[NH+](Cc2cc(C[NH2+]C(C)(C)C)co2)C[C@@H](C)O1 ZINC000052380661 524983220 /nfs/dbraw/zinc/98/32/20/524983220.db2.gz RIPJEGSUKYEHAY-CHWSQXEVSA-N 2 2 280.412 2.777 10 0 CFAELP c1cc2c(s1)CCc1[nH]c([C@H]3CCC[NH2+]C3)[nH+]c1-2 ZINC000061326921 526446801 /nfs/dbraw/zinc/44/68/01/526446801.db2.gz JBAWCTNLGRMXOO-VIFPVBQESA-N 2 2 259.378 2.704 10 0 CFAELP Cc1oc(C[N@H+]2CCOC[C@@H]2C)cc1C[NH2+]C(C)(C)C ZINC000052475815 526771277 /nfs/dbraw/zinc/77/12/77/526771277.db2.gz LTCVHMISZHQMGP-LBPRGKRZSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1oc(C[N@@H+]2CCOC[C@@H]2C)cc1C[NH2+]C(C)(C)C ZINC000052475815 526771280 /nfs/dbraw/zinc/77/12/80/526771280.db2.gz LTCVHMISZHQMGP-LBPRGKRZSA-N 2 2 280.412 2.697 10 0 CFAELP Cn1c(CC[C@@H]2CCC[NH2+]C2)[nH+]c2ccc(F)cc21 ZINC000052124560 527050602 /nfs/dbraw/zinc/05/06/02/527050602.db2.gz JACBAZSSHUKZIS-NSHDSACASA-N 2 2 261.344 2.645 10 0 CFAELP [NH3+]CC1([NH+]2CCCCC2)CCC(C(F)(F)F)CC1 ZINC000069374287 527162950 /nfs/dbraw/zinc/16/29/50/527162950.db2.gz JTWNAZOALMWXJF-UHFFFAOYSA-N 2 2 264.335 2.922 10 0 CFAELP [NH3+][C@H]1c2ccccc2C[C@H]1[NH+]1Cc2ccccc2C1 ZINC000050910986 527420357 /nfs/dbraw/zinc/42/03/57/527420357.db2.gz VZFAATYNXWCKCF-SJORKVTESA-N 2 2 250.345 2.627 10 0 CFAELP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(c2nccs2)CC1 ZINC000414736783 528348045 /nfs/dbraw/zinc/34/80/45/528348045.db2.gz CYOSQGCRQQFOGI-CYBMUJFWSA-N 2 2 267.442 2.696 10 0 CFAELP CC[C@H]1CN(c2ccc([NH+](C)C)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000083546002 536161053 /nfs/dbraw/zinc/16/10/53/536161053.db2.gz ILRAJOLGOHCSEF-YOEHRIQHSA-N 2 2 275.440 2.965 10 0 CFAELP CC[N@@H+]1CCO[C@H](C[NH2+]CC2(C)CCCCCC2)C1 ZINC000394622484 574365537 /nfs/dbraw/zinc/36/55/37/574365537.db2.gz YOCOJKNTRBGEAV-OAHLLOKOSA-N 2 2 268.445 2.657 10 0 CFAELP CC[N@H+]1CCO[C@H](C[NH2+]CC2(C)CCCCCC2)C1 ZINC000394622484 574365539 /nfs/dbraw/zinc/36/55/39/574365539.db2.gz YOCOJKNTRBGEAV-OAHLLOKOSA-N 2 2 268.445 2.657 10 0 CFAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000252950132 617668343 /nfs/dbraw/zinc/66/83/43/617668343.db2.gz CQYYKUHKWIMHEK-MXWKQRLJSA-N 2 2 288.844 2.819 10 0 CFAELP CO[C@@H]1C[C@@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)C12CCC2 ZINC000308394733 618200677 /nfs/dbraw/zinc/20/06/77/618200677.db2.gz OJZSDXKFQQLKKI-RBSFLKMASA-N 2 2 268.445 2.510 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCc1cccs1 ZINC000178303652 618746902 /nfs/dbraw/zinc/74/69/02/618746902.db2.gz RQPDLLXRZZKEBZ-CQSZACIVSA-N 2 2 275.421 2.960 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCc1cccs1 ZINC000178303652 618746903 /nfs/dbraw/zinc/74/69/03/618746903.db2.gz RQPDLLXRZZKEBZ-CQSZACIVSA-N 2 2 275.421 2.960 10 0 CFAELP CSc1ccc([C@H](C)[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000399192957 619089532 /nfs/dbraw/zinc/08/95/32/619089532.db2.gz QTYMDWXCTWJSRK-ZDUSSCGKSA-N 2 2 294.464 2.516 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1F ZINC000134098512 646281136 /nfs/dbraw/zinc/28/11/36/646281136.db2.gz YXSWBIRMBLFCSL-KCQAQPDRSA-N 2 2 280.387 2.552 10 0 CFAELP C[C@@H]([NH3+])c1c[nH+]c(Cc2ccc(Br)cc2)[nH]1 ZINC000082517165 178078762 /nfs/dbraw/zinc/07/87/62/178078762.db2.gz QBOCJSNCRNILBK-MRVPVSSYSA-N 2 2 280.169 2.783 10 0 CFAELP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1c1ccc(O)cc1 ZINC000096946966 185136948 /nfs/dbraw/zinc/13/69/48/185136948.db2.gz AJDRRAFMTMIHBY-SJORKVTESA-N 2 2 268.360 2.667 10 0 CFAELP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1c1ccc(O)cc1 ZINC000096946966 185136949 /nfs/dbraw/zinc/13/69/49/185136949.db2.gz AJDRRAFMTMIHBY-SJORKVTESA-N 2 2 268.360 2.667 10 0 CFAELP COC[C@H](Cc1ccccc1)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000120343678 347806372 /nfs/dbraw/zinc/80/63/72/347806372.db2.gz QIIAMWONCVTNFT-ROUUACIJSA-N 2 2 292.467 2.810 10 0 CFAELP C[NH+](C)[C@@H](C[NH3+])c1ccc(Cl)c(Br)c1 ZINC000137145181 347912315 /nfs/dbraw/zinc/91/23/15/347912315.db2.gz DQFDBMBIWYLSLG-JTQLQIEISA-N 2 2 277.593 2.664 10 0 CFAELP C[N@@H+]1CCC[C@]([NH3+])(c2nc(C(C)(C)C)cs2)CC1 ZINC000086833623 179349231 /nfs/dbraw/zinc/34/92/31/179349231.db2.gz MCXVPWYIASRVEB-CQSZACIVSA-N 2 2 267.442 2.710 10 0 CFAELP C[N@H+]1CCC[C@]([NH3+])(c2nc(C(C)(C)C)cs2)CC1 ZINC000086833623 179349234 /nfs/dbraw/zinc/34/92/34/179349234.db2.gz MCXVPWYIASRVEB-CQSZACIVSA-N 2 2 267.442 2.710 10 0 CFAELP CC[N@@H+]1CCC[C@@]([NH3+])(c2nc3c(s2)CCCC3)CC1 ZINC000086851355 179358979 /nfs/dbraw/zinc/35/89/79/179358979.db2.gz GZVYQUTYFRHYMP-HNNXBMFYSA-N 2 2 279.453 2.682 10 0 CFAELP CC[N@H+]1CCC[C@@]([NH3+])(c2nc3c(s2)CCCC3)CC1 ZINC000086851355 179358980 /nfs/dbraw/zinc/35/89/80/179358980.db2.gz GZVYQUTYFRHYMP-HNNXBMFYSA-N 2 2 279.453 2.682 10 0 CFAELP Cc1cc[nH+]c(N[C@H](C)C[C@@H](C)[NH3+])c1Br ZINC000235153685 348225277 /nfs/dbraw/zinc/22/52/77/348225277.db2.gz UMCPWFLSAHJUCK-RKDXNWHRSA-N 2 2 272.190 2.690 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000380189390 348522937 /nfs/dbraw/zinc/52/29/37/348522937.db2.gz BCBYJIRJYAKJEV-KRWDZBQOSA-N 2 2 267.376 2.733 10 0 CFAELP CC(C)[NH+]1CCC2(CC1)[NH2+]CCc1ccsc12 ZINC000584883797 348726793 /nfs/dbraw/zinc/72/67/93/348726793.db2.gz KOGQLOCJAHJLKV-UHFFFAOYSA-N 2 2 250.411 2.593 10 0 CFAELP CCCC[C@@](C=C=C(C)C)(CC)C[NH2+]CC[NH2+]CCO ZINC000584602910 348686307 /nfs/dbraw/zinc/68/63/07/348686307.db2.gz CVLPAMDPFWKSFJ-QGZVFWFLSA-N 2 2 282.472 2.866 10 0 CFAELP [NH3+]C[C@H](Cc1ccccc1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000584620886 348693030 /nfs/dbraw/zinc/69/30/30/348693030.db2.gz MWKBWVZZJINWNB-AWEZNQCLSA-N 2 2 286.341 2.831 10 0 CFAELP C[C@@H]([N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC000588687700 348792106 /nfs/dbraw/zinc/79/21/06/348792106.db2.gz OBALMXMVJISLFA-NVXWUHKLSA-N 2 2 292.467 2.846 10 0 CFAELP C[C@@H]([N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC000588687700 348792111 /nfs/dbraw/zinc/79/21/11/348792111.db2.gz OBALMXMVJISLFA-NVXWUHKLSA-N 2 2 292.467 2.846 10 0 CFAELP C[C@@H]([NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000588687700 348792115 /nfs/dbraw/zinc/79/21/15/348792115.db2.gz OBALMXMVJISLFA-NVXWUHKLSA-N 2 2 292.467 2.846 10 0 CFAELP C[C@@H]([NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000588687700 348792120 /nfs/dbraw/zinc/79/21/20/348792120.db2.gz OBALMXMVJISLFA-NVXWUHKLSA-N 2 2 292.467 2.846 10 0 CFAELP CC[N@@H+]1CCC[C@H]1CN(C)Cc1c[nH+]c2ccc(C)cn12 ZINC000123460811 187093244 /nfs/dbraw/zinc/09/32/44/187093244.db2.gz BJMVSRRVENLYIF-HNNXBMFYSA-N 2 2 286.423 2.559 10 0 CFAELP CC[N@H+]1CCC[C@H]1CN(C)Cc1c[nH+]c2ccc(C)cn12 ZINC000123460811 187093245 /nfs/dbraw/zinc/09/32/45/187093245.db2.gz BJMVSRRVENLYIF-HNNXBMFYSA-N 2 2 286.423 2.559 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1cnc2ccccc2c1 ZINC000616615260 352384645 /nfs/dbraw/zinc/38/46/45/352384645.db2.gz UBGABVPEVPNAOI-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1cnc2ccccc2c1 ZINC000616615260 352384648 /nfs/dbraw/zinc/38/46/48/352384648.db2.gz UBGABVPEVPNAOI-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP Fc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000136081494 539878764 /nfs/dbraw/zinc/87/87/64/539878764.db2.gz FEGKLAPWQXSWHI-HNNXBMFYSA-N 2 2 259.328 2.687 10 0 CFAELP Fc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000136081494 539878769 /nfs/dbraw/zinc/87/87/69/539878769.db2.gz FEGKLAPWQXSWHI-HNNXBMFYSA-N 2 2 259.328 2.687 10 0 CFAELP Fc1ccc2[nH]c([C@H]3CCC[N@@H+]3C3CC[NH2+]CC3)nc2c1 ZINC000038042461 283010612 /nfs/dbraw/zinc/01/06/12/283010612.db2.gz QJHAIYGJVOYZES-OAHLLOKOSA-N 2 2 288.370 2.591 10 0 CFAELP Fc1ccc2[nH]c([C@H]3CCC[N@H+]3C3CC[NH2+]CC3)nc2c1 ZINC000038042461 283010616 /nfs/dbraw/zinc/01/06/16/283010616.db2.gz QJHAIYGJVOYZES-OAHLLOKOSA-N 2 2 288.370 2.591 10 0 CFAELP C[C@]12C[NH2+]C[C@@]1(C)CN(c1[nH+]ccc3ccccc31)C2 ZINC000630541145 355106902 /nfs/dbraw/zinc/10/69/02/355106902.db2.gz IWUOLDDBPHNKQG-CALCHBBNSA-N 2 2 267.376 2.671 10 0 CFAELP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631841307 355602991 /nfs/dbraw/zinc/60/29/91/355602991.db2.gz IYKSBJYEEAERSD-JQWIXIFHSA-N 2 2 291.420 2.738 10 0 CFAELP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631841307 355602993 /nfs/dbraw/zinc/60/29/93/355602993.db2.gz IYKSBJYEEAERSD-JQWIXIFHSA-N 2 2 291.420 2.738 10 0 CFAELP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1cccc(Br)c1 ZINC000211996867 540188658 /nfs/dbraw/zinc/18/86/58/540188658.db2.gz BUNHDTKIUGNABG-NWDGAFQWSA-N 2 2 269.186 2.543 10 0 CFAELP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1cccc(Br)c1 ZINC000211996867 540188661 /nfs/dbraw/zinc/18/86/61/540188661.db2.gz BUNHDTKIUGNABG-NWDGAFQWSA-N 2 2 269.186 2.543 10 0 CFAELP [NH3+][C@@H]1CCC[C@H]2CN(c3[nH+]ccc4ccccc43)C[C@@H]21 ZINC000230133040 540200528 /nfs/dbraw/zinc/20/05/28/540200528.db2.gz CTNUZUYERFUQDG-CWRNSKLLSA-N 2 2 267.376 2.798 10 0 CFAELP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1F ZINC000154546737 540526711 /nfs/dbraw/zinc/52/67/11/540526711.db2.gz HTBMHOCGSNNCBV-OCCSQVGLSA-N 2 2 250.361 2.879 10 0 CFAELP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1F ZINC000154546737 540526713 /nfs/dbraw/zinc/52/67/13/540526713.db2.gz HTBMHOCGSNNCBV-OCCSQVGLSA-N 2 2 250.361 2.879 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000178289868 189103231 /nfs/dbraw/zinc/10/32/31/189103231.db2.gz BENQWLGQRVBKBO-OAHLLOKOSA-N 2 2 273.355 2.995 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccccc1F ZINC000178289868 189103232 /nfs/dbraw/zinc/10/32/32/189103232.db2.gz BENQWLGQRVBKBO-OAHLLOKOSA-N 2 2 273.355 2.995 10 0 CFAELP COc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000180130658 189238627 /nfs/dbraw/zinc/23/86/27/189238627.db2.gz ZTJYQGQKRHRBAD-INIZCTEOSA-N 2 2 285.391 2.865 10 0 CFAELP COc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000180130658 189238628 /nfs/dbraw/zinc/23/86/28/189238628.db2.gz ZTJYQGQKRHRBAD-INIZCTEOSA-N 2 2 285.391 2.865 10 0 CFAELP COc1ccccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180130806 189238661 /nfs/dbraw/zinc/23/86/61/189238661.db2.gz PXEJZFSPSGFVSG-MRXNPFEDSA-N 2 2 285.391 2.865 10 0 CFAELP COc1ccccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180130806 189238662 /nfs/dbraw/zinc/23/86/62/189238662.db2.gz PXEJZFSPSGFVSG-MRXNPFEDSA-N 2 2 285.391 2.865 10 0 CFAELP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000180572503 189263042 /nfs/dbraw/zinc/26/30/42/189263042.db2.gz MHBYAJYNFHUXME-MJBXVCDLSA-N 2 2 291.443 2.511 10 0 CFAELP Cc1ccc([C@@H]([NH2+]CC[NH3+])c2ccccc2)c(C)c1 ZINC000037712517 372691237 /nfs/dbraw/zinc/69/12/37/372691237.db2.gz FYBJHGYLBJMZLH-KRWDZBQOSA-N 2 2 254.377 2.941 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CCC[C@@H](C[NH3+])C1 ZINC000063106339 373787371 /nfs/dbraw/zinc/78/73/71/373787371.db2.gz LTSYKHVBLLUWJH-ZDUSSCGKSA-N 2 2 255.365 2.718 10 0 CFAELP CCc1c(C)[nH+]c(-c2ccc(C)cc2)nc1N1CC[C@@H]([NH3+])C1 ZINC000070455798 374179508 /nfs/dbraw/zinc/17/95/08/374179508.db2.gz VPDVOMXJFTUZGA-OAHLLOKOSA-N 2 2 296.418 2.860 10 0 CFAELP OCC[C@H]([NH2+]C1CC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000100282890 375618417 /nfs/dbraw/zinc/61/84/17/375618417.db2.gz YSMUWALXYCLLEY-ZWKOTPCHSA-N 2 2 288.435 2.544 10 0 CFAELP OCC[C@H]([NH2+]C1CC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000100282890 375618421 /nfs/dbraw/zinc/61/84/21/375618421.db2.gz YSMUWALXYCLLEY-ZWKOTPCHSA-N 2 2 288.435 2.544 10 0 CFAELP Cc1nc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cs1 ZINC000120610232 376651545 /nfs/dbraw/zinc/65/15/45/376651545.db2.gz NTOXBOCXISJANP-CYBMUJFWSA-N 2 2 288.420 2.781 10 0 CFAELP Cc1nc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cs1 ZINC000120610232 376651549 /nfs/dbraw/zinc/65/15/49/376651549.db2.gz NTOXBOCXISJANP-CYBMUJFWSA-N 2 2 288.420 2.781 10 0 CFAELP COC1CCC([NH2+][C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000129839963 377478819 /nfs/dbraw/zinc/47/88/19/377478819.db2.gz RWMXVTHFCKITAW-JCYILVPMSA-N 2 2 276.424 2.837 10 0 CFAELP Cc1cc[nH+]c(N[C@H]2CC[C@@H](C[NH3+])C2)c1Br ZINC000335581885 379553896 /nfs/dbraw/zinc/55/38/96/379553896.db2.gz NGUIZYLGWIOSOC-ZJUUUORDSA-N 2 2 284.201 2.692 10 0 CFAELP Cc1cnc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000173779911 379776448 /nfs/dbraw/zinc/77/64/48/379776448.db2.gz RSWHXAYXANTJOP-CQSZACIVSA-N 2 2 286.379 2.620 10 0 CFAELP Cc1cnc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000173779911 379776453 /nfs/dbraw/zinc/77/64/53/379776453.db2.gz RSWHXAYXANTJOP-CQSZACIVSA-N 2 2 286.379 2.620 10 0 CFAELP COC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000174011023 379813904 /nfs/dbraw/zinc/81/39/04/379813904.db2.gz JWACQXKPBSQWOJ-NVXWUHKLSA-N 2 2 276.424 2.666 10 0 CFAELP COC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174011023 379813909 /nfs/dbraw/zinc/81/39/09/379813909.db2.gz JWACQXKPBSQWOJ-NVXWUHKLSA-N 2 2 276.424 2.666 10 0 CFAELP COC1CC([NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000347365237 381101133 /nfs/dbraw/zinc/10/11/33/381101133.db2.gz SZFYORZGAFZORT-LXPRWKDFSA-N 2 2 288.435 2.808 10 0 CFAELP COC1CC([NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000347365237 381101141 /nfs/dbraw/zinc/10/11/41/381101141.db2.gz SZFYORZGAFZORT-LXPRWKDFSA-N 2 2 288.435 2.808 10 0 CFAELP CCc1cc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)nc(C)[nH+]1 ZINC000302091585 382206424 /nfs/dbraw/zinc/20/64/24/382206424.db2.gz MIUIOYSWHFXOEW-AWEZNQCLSA-N 2 2 299.422 2.540 10 0 CFAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000344741004 382274316 /nfs/dbraw/zinc/27/43/16/382274316.db2.gz NEULLOXAZIRXFC-YWPUVAFDSA-N 2 2 278.362 2.895 10 0 CFAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000344741004 382274326 /nfs/dbraw/zinc/27/43/26/382274326.db2.gz NEULLOXAZIRXFC-YWPUVAFDSA-N 2 2 278.362 2.895 10 0 CFAELP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000358187631 382495114 /nfs/dbraw/zinc/49/51/14/382495114.db2.gz ZMOSSGYOJZPMDD-ISTVAULSSA-N 2 2 254.324 2.566 10 0 CFAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000358187631 382495117 /nfs/dbraw/zinc/49/51/17/382495117.db2.gz ZMOSSGYOJZPMDD-ISTVAULSSA-N 2 2 254.324 2.566 10 0 CFAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CC(OC(C)C)C1 ZINC000189532900 382620890 /nfs/dbraw/zinc/62/08/90/382620890.db2.gz NUAXSXUPBHXNEM-SLTAFYQDSA-N 2 2 256.434 2.508 10 0 CFAELP Cc1cncc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000189896071 382644352 /nfs/dbraw/zinc/64/43/52/382644352.db2.gz SEUXPUATVMRAMM-HNNXBMFYSA-N 2 2 282.391 2.719 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336832022 382726326 /nfs/dbraw/zinc/72/63/26/382726326.db2.gz DWEKTCQBELOOML-YNEHKIRRSA-N 2 2 296.377 2.662 10 0 CFAELP C=Cn1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)cn1 ZINC000193916689 382729534 /nfs/dbraw/zinc/72/95/34/382729534.db2.gz YFFYKJZQDQJIHP-HNNXBMFYSA-N 2 2 285.395 2.580 10 0 CFAELP C=Cn1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)cn1 ZINC000193916689 382729537 /nfs/dbraw/zinc/72/95/37/382729537.db2.gz YFFYKJZQDQJIHP-HNNXBMFYSA-N 2 2 285.395 2.580 10 0 CFAELP C[N@H+](Cc1ccc(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231453950 382864973 /nfs/dbraw/zinc/86/49/73/382864973.db2.gz SRZHRLTXEPTJOQ-CYBMUJFWSA-N 2 2 254.324 2.539 10 0 CFAELP C[N@@H+](Cc1ccc(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231453950 382864975 /nfs/dbraw/zinc/86/49/75/382864975.db2.gz SRZHRLTXEPTJOQ-CYBMUJFWSA-N 2 2 254.324 2.539 10 0 CFAELP C[N@H+](Cc1cc(F)c(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000231456265 382865034 /nfs/dbraw/zinc/86/50/34/382865034.db2.gz WYIUQXWCFMZISF-NSHDSACASA-N 2 2 272.314 2.678 10 0 CFAELP C[N@@H+](Cc1cc(F)c(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000231456265 382865035 /nfs/dbraw/zinc/86/50/35/382865035.db2.gz WYIUQXWCFMZISF-NSHDSACASA-N 2 2 272.314 2.678 10 0 CFAELP C[N@H+](Cc1cc(F)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC000231462223 382865588 /nfs/dbraw/zinc/86/55/88/382865588.db2.gz OWXGKRJCBGMJHU-ZDUSSCGKSA-N 2 2 254.324 2.539 10 0 CFAELP C[N@@H+](Cc1cc(F)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC000231462223 382865590 /nfs/dbraw/zinc/86/55/90/382865590.db2.gz OWXGKRJCBGMJHU-ZDUSSCGKSA-N 2 2 254.324 2.539 10 0 CFAELP Cc1cc[nH+]c(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1Br ZINC000235541746 382883388 /nfs/dbraw/zinc/88/33/88/382883388.db2.gz HLXVVBXNQGYZDS-WDEREUQCSA-N 2 2 298.228 2.953 10 0 CFAELP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247136996 383147408 /nfs/dbraw/zinc/14/74/08/383147408.db2.gz QQXGQJOHLXCZJI-RYQLBKOJSA-N 2 2 290.451 2.562 10 0 CFAELP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247136996 383147411 /nfs/dbraw/zinc/14/74/11/383147411.db2.gz QQXGQJOHLXCZJI-RYQLBKOJSA-N 2 2 290.451 2.562 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@@H]12 ZINC000261560659 383511344 /nfs/dbraw/zinc/51/13/44/383511344.db2.gz FIMLKNBWEAJTDL-GAJTVXKRSA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@@H]12 ZINC000261560659 383511348 /nfs/dbraw/zinc/51/13/48/383511348.db2.gz FIMLKNBWEAJTDL-GAJTVXKRSA-N 2 2 268.763 2.648 10 0 CFAELP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)o2)C[C@H]1[NH3+] ZINC000262045948 383599830 /nfs/dbraw/zinc/59/98/30/383599830.db2.gz PRZSSLDMQIZBGB-SWLSCSKDSA-N 2 2 256.349 2.726 10 0 CFAELP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)C[C@H]1[NH3+] ZINC000262045948 383599834 /nfs/dbraw/zinc/59/98/34/383599834.db2.gz PRZSSLDMQIZBGB-SWLSCSKDSA-N 2 2 256.349 2.726 10 0 CFAELP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3F)o2)C[C@H]1[NH3+] ZINC000262104868 383604959 /nfs/dbraw/zinc/60/49/59/383604959.db2.gz VWAZSUDQOLPXQW-XHDPSFHLSA-N 2 2 274.339 2.865 10 0 CFAELP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)o2)C[C@H]1[NH3+] ZINC000262104868 383604964 /nfs/dbraw/zinc/60/49/64/383604964.db2.gz VWAZSUDQOLPXQW-XHDPSFHLSA-N 2 2 274.339 2.865 10 0 CFAELP C[C@H](C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000262139560 383608838 /nfs/dbraw/zinc/60/88/38/383608838.db2.gz YYXACHOCGNOXJV-GYSYKLTISA-N 2 2 252.789 2.723 10 0 CFAELP C[C@H](C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000262139560 383608840 /nfs/dbraw/zinc/60/88/40/383608840.db2.gz YYXACHOCGNOXJV-GYSYKLTISA-N 2 2 252.789 2.723 10 0 CFAELP Cc1cc(NCCc2[nH]c3ccc(F)cc3[nH+]2)nc(C)[nH+]1 ZINC000269109432 132113721 /nfs/dbraw/zinc/11/37/21/132113721.db2.gz MWJRHUDBZCTDNW-UHFFFAOYSA-N 2 2 285.326 2.763 10 0 CFAELP CC(C)n1ccnc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195516056 393742413 /nfs/dbraw/zinc/74/24/13/393742413.db2.gz ZZTLYJAFTQLKAA-HNNXBMFYSA-N 2 2 299.422 2.793 10 0 CFAELP CC(C)n1ccnc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195516056 393742416 /nfs/dbraw/zinc/74/24/16/393742416.db2.gz ZZTLYJAFTQLKAA-HNNXBMFYSA-N 2 2 299.422 2.793 10 0 CFAELP CCOc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000185222948 543046673 /nfs/dbraw/zinc/04/66/73/543046673.db2.gz KPEATHXHSBCYDJ-MRXNPFEDSA-N 2 2 285.391 2.946 10 0 CFAELP CCOc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000185222948 543046675 /nfs/dbraw/zinc/04/66/75/543046675.db2.gz KPEATHXHSBCYDJ-MRXNPFEDSA-N 2 2 285.391 2.946 10 0 CFAELP COc1ccc(OC)c([C@H](C[NH3+])[N@H+](C)CC(C)(C)C)c1 ZINC000020226467 171091448 /nfs/dbraw/zinc/09/14/48/171091448.db2.gz GDUHWNGPOQSAGL-AWEZNQCLSA-N 2 2 280.412 2.682 10 0 CFAELP COc1ccc(OC)c([C@H](C[NH3+])[N@@H+](C)CC(C)(C)C)c1 ZINC000020226467 171091452 /nfs/dbraw/zinc/09/14/52/171091452.db2.gz GDUHWNGPOQSAGL-AWEZNQCLSA-N 2 2 280.412 2.682 10 0 CFAELP [NH3+][C@H](C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000020260102 171115873 /nfs/dbraw/zinc/11/58/73/171115873.db2.gz WPFSGASQSLRNND-GFCCVEGCSA-N 2 2 258.287 2.801 10 0 CFAELP [NH3+][C@H](Cn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000020261231 171117704 /nfs/dbraw/zinc/11/77/04/171117704.db2.gz WTYVKHQRARFOCR-LLVKDONJSA-N 2 2 255.243 2.602 10 0 CFAELP Nc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)c[nH+]1 ZINC000020383074 171173160 /nfs/dbraw/zinc/17/31/60/171173160.db2.gz AWOZTHGNOMUCIO-UHFFFAOYSA-N 2 2 282.391 2.740 10 0 CFAELP CC(C)c1ccccc1OC[C@H](C[NH3+])[NH+]1CCCC1 ZINC000020400558 171181745 /nfs/dbraw/zinc/18/17/45/171181745.db2.gz VABVTXBJLAIVRS-AWEZNQCLSA-N 2 2 262.397 2.612 10 0 CFAELP [NH3+]C[C@H](c1cnn(-c2ccccc2)c1)[NH+]1CCCCCC1 ZINC000022161923 171364150 /nfs/dbraw/zinc/36/41/50/171364150.db2.gz REIYPYRCFFYFPA-QGZVFWFLSA-N 2 2 284.407 2.748 10 0 CFAELP C[C@@H]1C[C@@H](C)C[NH+]([C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000022165555 171365987 /nfs/dbraw/zinc/36/59/87/171365987.db2.gz DYFBOAAPWLENIQ-JMSVASOKSA-N 2 2 250.361 2.803 10 0 CFAELP CC(C)[N@H+](C)[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000022168480 171366610 /nfs/dbraw/zinc/36/66/10/171366610.db2.gz BXMISTFDHCRMIW-LBPRGKRZSA-N 2 2 289.192 2.928 10 0 CFAELP CC(C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000022168480 171366612 /nfs/dbraw/zinc/36/66/12/171366612.db2.gz BXMISTFDHCRMIW-LBPRGKRZSA-N 2 2 289.192 2.928 10 0 CFAELP CC[NH+](CC)[C@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000022171650 171368058 /nfs/dbraw/zinc/36/80/58/171368058.db2.gz LZSJONDPHMDYAY-GFCCVEGCSA-N 2 2 258.312 2.630 10 0 CFAELP CCOc1ccccc1[C@@H](C[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000022216469 171375746 /nfs/dbraw/zinc/37/57/46/171375746.db2.gz ZBDRYEUEYXDKSF-DZGCQCFKSA-N 2 2 262.397 2.960 10 0 CFAELP CCOc1ccccc1[C@@H](C[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000022216469 171375747 /nfs/dbraw/zinc/37/57/47/171375747.db2.gz ZBDRYEUEYXDKSF-DZGCQCFKSA-N 2 2 262.397 2.960 10 0 CFAELP [NH3+][C@@H](C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022217058 171375903 /nfs/dbraw/zinc/37/59/03/171375903.db2.gz ZMKWHNKKMCVBDM-KRWDZBQOSA-N 2 2 252.361 2.745 10 0 CFAELP [NH3+][C@@H](C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022217058 171375904 /nfs/dbraw/zinc/37/59/04/171375904.db2.gz ZMKWHNKKMCVBDM-KRWDZBQOSA-N 2 2 252.361 2.745 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(Br)ccc1F ZINC000035503752 172237339 /nfs/dbraw/zinc/23/73/39/172237339.db2.gz VJMNKLMHUUJEMC-LLVKDONJSA-N 2 2 298.159 2.815 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(F)cc1Br ZINC000035504209 172237371 /nfs/dbraw/zinc/23/73/71/172237371.db2.gz XPXYZQOADHFNEK-NSHDSACASA-N 2 2 298.159 2.815 10 0 CFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1c(F)cccc1F ZINC000035570280 172266418 /nfs/dbraw/zinc/26/64/18/172266418.db2.gz KDJNBHGUAAVBPF-LLVKDONJSA-N 2 2 251.280 2.581 10 0 CFAELP C[N@@H+](Cc1cccs1)C[C@@H]([NH3+])Cc1ccccc1 ZINC000035717799 172372214 /nfs/dbraw/zinc/37/22/14/172372214.db2.gz SZUPNIPHGKTGMZ-AWEZNQCLSA-N 2 2 260.406 2.750 10 0 CFAELP C[N@H+](Cc1cccs1)C[C@@H]([NH3+])Cc1ccccc1 ZINC000035717799 172372215 /nfs/dbraw/zinc/37/22/15/172372215.db2.gz SZUPNIPHGKTGMZ-AWEZNQCLSA-N 2 2 260.406 2.750 10 0 CFAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000036946807 172822660 /nfs/dbraw/zinc/82/26/60/172822660.db2.gz CHGNBEDPIVKYHN-SNVBAGLBSA-N 2 2 256.136 2.959 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCCSCC1 ZINC000657871256 414016909 /nfs/dbraw/zinc/01/69/09/414016909.db2.gz UAXSFZQZPAWNRK-UONOGXRCSA-N 2 2 258.475 2.838 10 0 CFAELP COC(C)(C)C[C@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000037166489 173000238 /nfs/dbraw/zinc/00/02/38/173000238.db2.gz GUBDEVTWSXOJMR-UONOGXRCSA-N 2 2 258.450 2.756 10 0 CFAELP COC(C)(C)C[C@@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000037166491 173000455 /nfs/dbraw/zinc/00/04/55/173000455.db2.gz GUBDEVTWSXOJMR-ZIAGYGMSSA-N 2 2 258.450 2.756 10 0 CFAELP CCC[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363880 173152787 /nfs/dbraw/zinc/15/27/87/173152787.db2.gz JXHSYWJYIDUHEC-WFASDCNBSA-N 2 2 262.397 2.742 10 0 CFAELP CCC[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363880 173152789 /nfs/dbraw/zinc/15/27/89/173152789.db2.gz JXHSYWJYIDUHEC-WFASDCNBSA-N 2 2 262.397 2.742 10 0 CFAELP Fc1ccc(-c2c[nH]c(CC3CC[NH2+]CC3)[nH+]2)cc1 ZINC000038076142 174086622 /nfs/dbraw/zinc/08/66/22/174086622.db2.gz IFNZMCRFIPKKIK-UHFFFAOYSA-N 2 2 259.328 2.758 10 0 CFAELP COc1cccc([C@H](C[NH3+])[NH+]2CCCCCC2)c1OC ZINC000038827614 174156014 /nfs/dbraw/zinc/15/60/14/174156014.db2.gz QJJKLPLEHSDGNV-AWEZNQCLSA-N 2 2 278.396 2.580 10 0 CFAELP COc1ccc(OC)c([C@@H](C[NH3+])[NH+]2CCCCCC2)c1 ZINC000038809066 174156058 /nfs/dbraw/zinc/15/60/58/174156058.db2.gz MZEAQSPLTPTTKD-OAHLLOKOSA-N 2 2 278.396 2.580 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000040502476 174298861 /nfs/dbraw/zinc/29/88/61/174298861.db2.gz DHURCFVCEGAHBU-MRXNPFEDSA-N 2 2 269.392 2.809 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000040502476 174298862 /nfs/dbraw/zinc/29/88/62/174298862.db2.gz DHURCFVCEGAHBU-MRXNPFEDSA-N 2 2 269.392 2.809 10 0 CFAELP Cc1cccc(C2CC([NH2+]CCc3[nH+]ccn3C)C2)c1 ZINC000040639083 174362831 /nfs/dbraw/zinc/36/28/31/174362831.db2.gz XQENCHSRUZFGSY-UHFFFAOYSA-N 2 2 269.392 2.807 10 0 CFAELP COc1ccc(C)cc1[C@@H](C)[NH2+]CCc1[nH+]ccn1C ZINC000040638813 174362935 /nfs/dbraw/zinc/36/29/35/174362935.db2.gz AJBMZMCWERGDSZ-CYBMUJFWSA-N 2 2 273.380 2.630 10 0 CFAELP CC(C)(C)C[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671518 174369926 /nfs/dbraw/zinc/36/99/26/174369926.db2.gz OBXUHCOTWYAFGE-MRXNPFEDSA-N 2 2 260.425 2.939 10 0 CFAELP CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671518 174369927 /nfs/dbraw/zinc/36/99/27/174369927.db2.gz OBXUHCOTWYAFGE-MRXNPFEDSA-N 2 2 260.425 2.939 10 0 CFAELP [NH3+]Cc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000040693617 174377577 /nfs/dbraw/zinc/37/75/77/174377577.db2.gz ONHIKCWEILDZRM-UHFFFAOYSA-N 3 2 287.451 2.596 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1Cl ZINC000040749970 174394669 /nfs/dbraw/zinc/39/46/69/174394669.db2.gz DHLYDPSXSUOPTC-YHWZYXNKSA-N 2 2 268.763 2.933 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1Cl ZINC000040749970 174394670 /nfs/dbraw/zinc/39/46/70/174394670.db2.gz DHLYDPSXSUOPTC-YHWZYXNKSA-N 2 2 268.763 2.933 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(-c2ccccc2)n1 ZINC000040750327 174394710 /nfs/dbraw/zinc/39/47/10/174394710.db2.gz ZPVUBSYUTGOKDW-VHRNVKJDSA-N 2 2 283.375 2.796 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(-c2ccccc2)n1 ZINC000040750327 174394711 /nfs/dbraw/zinc/39/47/11/174394711.db2.gz ZPVUBSYUTGOKDW-VHRNVKJDSA-N 2 2 283.375 2.796 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(-c2ccccc2)o1 ZINC000040750048 174395075 /nfs/dbraw/zinc/39/50/75/174395075.db2.gz MQQWUULLXFGYRF-GOOCMWNKSA-N 2 2 283.375 2.796 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncc(-c2ccccc2)o1 ZINC000040750048 174395077 /nfs/dbraw/zinc/39/50/77/174395077.db2.gz MQQWUULLXFGYRF-GOOCMWNKSA-N 2 2 283.375 2.796 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2ccccc2s1 ZINC000040750476 174395690 /nfs/dbraw/zinc/39/56/90/174395690.db2.gz GJLZXAAWGGHQSF-YOGCLGLASA-N 2 2 273.405 2.750 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2ccccc2s1 ZINC000040750476 174395691 /nfs/dbraw/zinc/39/56/91/174395691.db2.gz GJLZXAAWGGHQSF-YOGCLGLASA-N 2 2 273.405 2.750 10 0 CFAELP COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1F ZINC000040988706 174446006 /nfs/dbraw/zinc/44/60/06/174446006.db2.gz VTMAEKKUAJKBTF-UONOGXRCSA-N 2 2 266.360 2.536 10 0 CFAELP COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1F ZINC000040988706 174446007 /nfs/dbraw/zinc/44/60/07/174446007.db2.gz VTMAEKKUAJKBTF-UONOGXRCSA-N 2 2 266.360 2.536 10 0 CFAELP C[NH2+]C1(c2nc3c(s2)CCC3)CC[NH+](C(C)C)CC1 ZINC000041187721 174507485 /nfs/dbraw/zinc/50/74/85/174507485.db2.gz IBAQJBWOUAUKDX-UHFFFAOYSA-N 2 2 279.453 2.551 10 0 CFAELP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043325850 175007682 /nfs/dbraw/zinc/00/76/82/175007682.db2.gz CYHHSSSCEAMPLG-WCQYABFASA-N 2 2 252.789 2.613 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000043347705 175017709 /nfs/dbraw/zinc/01/77/09/175017709.db2.gz CSJFADQAETXIQY-RRCSTGOVSA-N 2 2 261.413 2.980 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000043347705 175017710 /nfs/dbraw/zinc/01/77/10/175017710.db2.gz CSJFADQAETXIQY-RRCSTGOVSA-N 2 2 261.413 2.980 10 0 CFAELP C[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+](C)CC1CCCCC1 ZINC000043347686 175018058 /nfs/dbraw/zinc/01/80/58/175018058.db2.gz LVZXWSARYADATE-BBRMVZONSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](C)CC1CCCCC1 ZINC000043347686 175018060 /nfs/dbraw/zinc/01/80/60/175018060.db2.gz LVZXWSARYADATE-BBRMVZONSA-N 2 2 261.413 2.982 10 0 CFAELP CCC(CC)[N@@H+](CCOC)[C@H](c1cccnc1)[C@H]([NH3+])CC ZINC000043348485 175018758 /nfs/dbraw/zinc/01/87/58/175018758.db2.gz ORAKNGQSFAPEJT-IAGOWNOFSA-N 2 2 293.455 2.997 10 0 CFAELP CCC(CC)[N@H+](CCOC)[C@H](c1cccnc1)[C@H]([NH3+])CC ZINC000043348485 175018759 /nfs/dbraw/zinc/01/87/59/175018759.db2.gz ORAKNGQSFAPEJT-IAGOWNOFSA-N 2 2 293.455 2.997 10 0 CFAELP CCC(CC)[N@H+](CCOC)[C@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348481 175019016 /nfs/dbraw/zinc/01/90/16/175019016.db2.gz MHOKCEMDCYQRJB-CJNGLKHVSA-N 2 2 279.428 2.607 10 0 CFAELP CCC(CC)[N@@H+](CCOC)[C@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348481 175019018 /nfs/dbraw/zinc/01/90/18/175019018.db2.gz MHOKCEMDCYQRJB-CJNGLKHVSA-N 2 2 279.428 2.607 10 0 CFAELP [NH3+]C[C@@H](c1ccncc1)[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000043353648 175020631 /nfs/dbraw/zinc/02/06/31/175020631.db2.gz XWXDLQUNYPCWNL-SJORKVTESA-N 2 2 267.376 2.919 10 0 CFAELP [NH3+]C[C@@H](c1ccncc1)[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000043353648 175020632 /nfs/dbraw/zinc/02/06/32/175020632.db2.gz XWXDLQUNYPCWNL-SJORKVTESA-N 2 2 267.376 2.919 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043363840 175024524 /nfs/dbraw/zinc/02/45/24/175024524.db2.gz PJQYBULPDAETHE-IJEWVQPXSA-N 2 2 280.412 2.603 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+]1CCCC[C@@H]1CCO ZINC000043363840 175024525 /nfs/dbraw/zinc/02/45/25/175024525.db2.gz PJQYBULPDAETHE-IJEWVQPXSA-N 2 2 280.412 2.603 10 0 CFAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@H+](C)CCc2ccccn2)o1 ZINC000043363923 175025030 /nfs/dbraw/zinc/02/50/30/175025030.db2.gz CKMQNIYAOGBHON-BBRMVZONSA-N 2 2 273.380 2.546 10 0 CFAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@@H+](C)CCc2ccccn2)o1 ZINC000043363923 175025031 /nfs/dbraw/zinc/02/50/31/175025031.db2.gz CKMQNIYAOGBHON-BBRMVZONSA-N 2 2 273.380 2.546 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043364788 175025532 /nfs/dbraw/zinc/02/55/32/175025532.db2.gz IYLKJNYANHJCJA-OFQRWUPVSA-N 2 2 280.412 2.867 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043364788 175025534 /nfs/dbraw/zinc/02/55/34/175025534.db2.gz IYLKJNYANHJCJA-OFQRWUPVSA-N 2 2 280.412 2.867 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](CCOC)CC(C)C ZINC000043364972 175025804 /nfs/dbraw/zinc/02/58/04/175025804.db2.gz DEVVVHZRKCOZPP-GOEBONIOSA-N 2 2 282.428 2.971 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](CCOC)CC(C)C ZINC000043364972 175025805 /nfs/dbraw/zinc/02/58/05/175025805.db2.gz DEVVVHZRKCOZPP-GOEBONIOSA-N 2 2 282.428 2.971 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](C)CCc1ccncc1 ZINC000043364524 175025959 /nfs/dbraw/zinc/02/59/59/175025959.db2.gz HXQMAXDFZQDJJO-RDJZCZTQSA-N 2 2 287.407 2.936 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](C)CCc1ccncc1 ZINC000043364524 175025961 /nfs/dbraw/zinc/02/59/61/175025961.db2.gz HXQMAXDFZQDJJO-RDJZCZTQSA-N 2 2 287.407 2.936 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](CCO)C1CCCC1 ZINC000043365204 175026532 /nfs/dbraw/zinc/02/65/32/175026532.db2.gz CAKOZXVYZWUHJO-HOCLYGCPSA-N 2 2 280.412 2.603 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](CCO)C1CCCC1 ZINC000043365204 175026534 /nfs/dbraw/zinc/02/65/34/175026534.db2.gz CAKOZXVYZWUHJO-HOCLYGCPSA-N 2 2 280.412 2.603 10 0 CFAELP Cc1cc(N(CCC[NH3+])CC(C)C)nc(C(C)C)[nH+]1 ZINC000043417189 175038409 /nfs/dbraw/zinc/03/84/09/175038409.db2.gz WBBQXUGTFOMWEV-UHFFFAOYSA-N 2 2 264.417 2.720 10 0 CFAELP CCC1CCC(C[NH3+])([N@@H+]2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000043424926 175039919 /nfs/dbraw/zinc/03/99/19/175039919.db2.gz WZBPRVZWHJSHHN-YZUHTNEWSA-N 2 2 280.456 2.928 10 0 CFAELP CCC1CCC(C[NH3+])([N@H+]2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000043424926 175039920 /nfs/dbraw/zinc/03/99/20/175039920.db2.gz WZBPRVZWHJSHHN-YZUHTNEWSA-N 2 2 280.456 2.928 10 0 CFAELP C[C@H](C[C@@H](C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000043534517 175062798 /nfs/dbraw/zinc/06/27/98/175062798.db2.gz AKPUIOCUUFDNRO-AIANPOQGSA-N 2 2 276.424 2.617 10 0 CFAELP C[C@H](C[C@@H](C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000043534517 175062799 /nfs/dbraw/zinc/06/27/99/175062799.db2.gz AKPUIOCUUFDNRO-AIANPOQGSA-N 2 2 276.424 2.617 10 0 CFAELP C[C@@H](C[C@@H](C[NH3+])[N@H+](C)C[C@@H]1CCCO1)c1ccccc1 ZINC000043534947 175063383 /nfs/dbraw/zinc/06/33/83/175063383.db2.gz PUPAUNPYEVRVCN-XIRDDKMYSA-N 2 2 276.424 2.618 10 0 CFAELP C[C@@H](C[C@@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCO1)c1ccccc1 ZINC000043534947 175063384 /nfs/dbraw/zinc/06/33/84/175063384.db2.gz PUPAUNPYEVRVCN-XIRDDKMYSA-N 2 2 276.424 2.618 10 0 CFAELP CC[NH2+][C@@H](C[NH+]1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000043807425 175108512 /nfs/dbraw/zinc/10/85/12/175108512.db2.gz UIFFOWMBFIORHM-HNNXBMFYSA-N 2 2 290.407 2.594 10 0 CFAELP CC[NH2+][C@H](C)c1ccc(OCC)c(C[NH+]2CCOCC2)c1 ZINC000043808525 175108933 /nfs/dbraw/zinc/10/89/33/175108933.db2.gz FERDDFLDDPBDCG-CQSZACIVSA-N 2 2 292.423 2.588 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000043818815 175113939 /nfs/dbraw/zinc/11/39/39/175113939.db2.gz BNUWGRSPNMSITL-IRXDYDNUSA-N 2 2 275.440 2.867 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818815 175113940 /nfs/dbraw/zinc/11/39/40/175113940.db2.gz BNUWGRSPNMSITL-IRXDYDNUSA-N 2 2 275.440 2.867 10 0 CFAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000043818801 175114146 /nfs/dbraw/zinc/11/41/46/175114146.db2.gz ZKEKKBIKGZFNRY-UAGQMJEPSA-N 2 2 275.440 2.723 10 0 CFAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818801 175114147 /nfs/dbraw/zinc/11/41/47/175114147.db2.gz ZKEKKBIKGZFNRY-UAGQMJEPSA-N 2 2 275.440 2.723 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@H+](C)Cc1cccnc1 ZINC000043893421 175118827 /nfs/dbraw/zinc/11/88/27/175118827.db2.gz HQYNHOUNOYJZMQ-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+](C)Cc1cccnc1 ZINC000043893421 175118828 /nfs/dbraw/zinc/11/88/28/175118828.db2.gz HQYNHOUNOYJZMQ-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccncc1 ZINC000043894208 175119421 /nfs/dbraw/zinc/11/94/21/175119421.db2.gz IXLXNEDNFOXDEH-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccncc1 ZINC000043894208 175119422 /nfs/dbraw/zinc/11/94/22/175119422.db2.gz IXLXNEDNFOXDEH-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897989 175120406 /nfs/dbraw/zinc/12/04/06/175120406.db2.gz KJAWTULJNBPXRQ-ILXRZTDVSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897989 175120407 /nfs/dbraw/zinc/12/04/07/175120407.db2.gz KJAWTULJNBPXRQ-ILXRZTDVSA-N 2 2 268.445 2.654 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897833 175120626 /nfs/dbraw/zinc/12/06/26/175120626.db2.gz OBKWFDUXBBWYQR-CABCVRRESA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897833 175120627 /nfs/dbraw/zinc/12/06/27/175120627.db2.gz OBKWFDUXBBWYQR-CABCVRRESA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@H]1[N@H+](C)C1CCOCC1 ZINC000043898623 175121574 /nfs/dbraw/zinc/12/15/74/175121574.db2.gz UUIGEWYTOLIOFF-HZPDHXFCSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](C)C1CCOCC1 ZINC000043898623 175121575 /nfs/dbraw/zinc/12/15/75/175121575.db2.gz UUIGEWYTOLIOFF-HZPDHXFCSA-N 2 2 268.445 2.798 10 0 CFAELP C[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)C1CCCCCC1)OCCO2 ZINC000043899599 175121703 /nfs/dbraw/zinc/12/17/03/175121703.db2.gz BGLYWHBTLSIRBG-HZPDHXFCSA-N 2 2 296.455 2.525 10 0 CFAELP C[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)C1CCCCCC1)OCCO2 ZINC000043899599 175121705 /nfs/dbraw/zinc/12/17/05/175121705.db2.gz BGLYWHBTLSIRBG-HZPDHXFCSA-N 2 2 296.455 2.525 10 0 CFAELP CCC[NH2+][C@H](CC)[C@H](C)[N@H+](C)CCc1ccncc1 ZINC000043902271 175122388 /nfs/dbraw/zinc/12/23/88/175122388.db2.gz QSHIXLYAOPWXKL-GOEBONIOSA-N 2 2 263.429 2.723 10 0 CFAELP CCC[NH2+][C@H](CC)[C@H](C)[N@@H+](C)CCc1ccncc1 ZINC000043902271 175122390 /nfs/dbraw/zinc/12/23/90/175122390.db2.gz QSHIXLYAOPWXKL-GOEBONIOSA-N 2 2 263.429 2.723 10 0 CFAELP CCC[NH2+][C@@H]1c2ccccc2OC[C@H]1[N@@H+]1CCC[C@@H]1C ZINC000043903876 175122867 /nfs/dbraw/zinc/12/28/67/175122867.db2.gz WBFPHMISZLJFRX-YSVLISHTSA-N 2 2 274.408 2.973 10 0 CFAELP CCC[NH2+][C@@H]1c2ccccc2OC[C@H]1[N@H+]1CCC[C@@H]1C ZINC000043903876 175122869 /nfs/dbraw/zinc/12/28/69/175122869.db2.gz WBFPHMISZLJFRX-YSVLISHTSA-N 2 2 274.408 2.973 10 0 CFAELP CCC[NH2+][C@H](C)[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911734 175123624 /nfs/dbraw/zinc/12/36/24/175123624.db2.gz KBUWDQUROZSHMS-ZIAGYGMSSA-N 2 2 264.413 2.904 10 0 CFAELP CCC[NH2+][C@H](C)[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911734 175123625 /nfs/dbraw/zinc/12/36/25/175123625.db2.gz KBUWDQUROZSHMS-ZIAGYGMSSA-N 2 2 264.413 2.904 10 0 CFAELP CCC[NH2+][C@H](C)[C@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911740 175123822 /nfs/dbraw/zinc/12/38/22/175123822.db2.gz KBUWDQUROZSHMS-KGLIPLIRSA-N 2 2 264.413 2.904 10 0 CFAELP CCC[NH2+][C@H](C)[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911740 175123823 /nfs/dbraw/zinc/12/38/23/175123823.db2.gz KBUWDQUROZSHMS-KGLIPLIRSA-N 2 2 264.413 2.904 10 0 CFAELP CCC[NH2+][C@@H]1c2ccccc2CC[C@@H]1[N@H+](C)CCOC ZINC000043916501 175125774 /nfs/dbraw/zinc/12/57/74/175125774.db2.gz GVROXOUFFNWOLQ-DLBZAZTESA-N 2 2 276.424 2.620 10 0 CFAELP CCC[NH2+][C@@H]1c2ccccc2CC[C@@H]1[N@@H+](C)CCOC ZINC000043916501 175125776 /nfs/dbraw/zinc/12/57/76/175125776.db2.gz GVROXOUFFNWOLQ-DLBZAZTESA-N 2 2 276.424 2.620 10 0 CFAELP CCC[NH2+][C@@H](C[N@H+](C)C[C@@H]1CCCCO1)C(C)(C)C ZINC000043966665 175127684 /nfs/dbraw/zinc/12/76/84/175127684.db2.gz AKQFKTKHJGWYGP-GJZGRUSLSA-N 2 2 270.461 2.902 10 0 CFAELP CCC[NH2+][C@@H](C[N@@H+](C)C[C@@H]1CCCCO1)C(C)(C)C ZINC000043966665 175127685 /nfs/dbraw/zinc/12/76/85/175127685.db2.gz AKQFKTKHJGWYGP-GJZGRUSLSA-N 2 2 270.461 2.902 10 0 CFAELP C[NH2+][C@H](c1ccccc1)[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966348 175128051 /nfs/dbraw/zinc/12/80/51/175128051.db2.gz SOCYPVAOEVULQT-PVAVHDDUSA-N 2 2 276.424 2.837 10 0 CFAELP C[NH2+][C@H](c1ccccc1)[C@@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966348 175128052 /nfs/dbraw/zinc/12/80/52/175128052.db2.gz SOCYPVAOEVULQT-PVAVHDDUSA-N 2 2 276.424 2.837 10 0 CFAELP CCc1ccc([C@H]([NH2+]C)[C@H](C)[N@H+](CC)CCOC)cc1 ZINC000043968581 175129897 /nfs/dbraw/zinc/12/98/97/175129897.db2.gz WOYJQWVBQHXSMJ-WMLDXEAASA-N 2 2 278.440 2.866 10 0 CFAELP CCc1ccc([C@H]([NH2+]C)[C@H](C)[N@@H+](CC)CCOC)cc1 ZINC000043968581 175129899 /nfs/dbraw/zinc/12/98/99/175129899.db2.gz WOYJQWVBQHXSMJ-WMLDXEAASA-N 2 2 278.440 2.866 10 0 CFAELP CCc1ccc([C@@H]([NH2+]C)[C@@H](C)[N@H+](C)[C@@H](C)COC)cc1 ZINC000043969142 175130661 /nfs/dbraw/zinc/13/06/61/175130661.db2.gz GOLINOUWNYWZRT-VBQJREDUSA-N 2 2 278.440 2.865 10 0 CFAELP CCc1ccc([C@@H]([NH2+]C)[C@@H](C)[N@@H+](C)[C@@H](C)COC)cc1 ZINC000043969142 175130662 /nfs/dbraw/zinc/13/06/62/175130662.db2.gz GOLINOUWNYWZRT-VBQJREDUSA-N 2 2 278.440 2.865 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@H]1[N@H+](CCOC)C1CC1 ZINC000043970102 175131453 /nfs/dbraw/zinc/13/14/53/175131453.db2.gz NRODCCQMXJXPKW-JKSUJKDBSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@H]1[N@@H+](CCOC)C1CC1 ZINC000043970102 175131454 /nfs/dbraw/zinc/13/14/54/175131454.db2.gz NRODCCQMXJXPKW-JKSUJKDBSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H](CC)[C@@H](C)[N@@H+]1CCC[C@H](OCC)C1 ZINC000043971781 175132895 /nfs/dbraw/zinc/13/28/95/175132895.db2.gz JREKHZRVGSZMRB-QLFBSQMISA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H](CC)[C@@H](C)[N@H+]1CCC[C@H](OCC)C1 ZINC000043971781 175132896 /nfs/dbraw/zinc/13/28/96/175132896.db2.gz JREKHZRVGSZMRB-QLFBSQMISA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@@H]1[N@H+](C)[C@@H](C)C(C)(C)C ZINC000043979505 175133340 /nfs/dbraw/zinc/13/33/40/175133340.db2.gz YARCZDBMENVIHJ-IHRRRGAJSA-N 2 2 256.434 2.510 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000043979505 175133341 /nfs/dbraw/zinc/13/33/41/175133341.db2.gz YARCZDBMENVIHJ-IHRRRGAJSA-N 2 2 256.434 2.510 10 0 CFAELP CC[NH2+][C@H](C[N@H+](CC)[C@@H](C)COC)c1cccc(OC)c1 ZINC000043981441 175134087 /nfs/dbraw/zinc/13/40/87/175134087.db2.gz BBPIZMHWPXXBTB-WMLDXEAASA-N 2 2 294.439 2.703 10 0 CFAELP CC[NH2+][C@H](C[N@@H+](CC)[C@@H](C)COC)c1cccc(OC)c1 ZINC000043981441 175134089 /nfs/dbraw/zinc/13/40/89/175134089.db2.gz BBPIZMHWPXXBTB-WMLDXEAASA-N 2 2 294.439 2.703 10 0 CFAELP C[NH2+][C@H](Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000043993186 175136184 /nfs/dbraw/zinc/13/61/84/175136184.db2.gz CVPHBOHZHGRZRJ-GFCCVEGCSA-N 2 2 269.270 2.863 10 0 CFAELP CC[NH2+][C@H]1CCOC[C@@H]1n1c[nH+]c2cc(C)c(C)cc21 ZINC000043996692 175136915 /nfs/dbraw/zinc/13/69/15/175136915.db2.gz FVOPVCDIRALARB-BBRMVZONSA-N 2 2 273.380 2.593 10 0 CFAELP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C)c1 ZINC000044561354 175205144 /nfs/dbraw/zinc/20/51/44/175205144.db2.gz SOWYUBYWINKYLL-DYVFJYSZSA-N 2 2 289.423 2.780 10 0 CFAELP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C)c1 ZINC000044561354 175205145 /nfs/dbraw/zinc/20/51/45/175205145.db2.gz SOWYUBYWINKYLL-DYVFJYSZSA-N 2 2 289.423 2.780 10 0 CFAELP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000044561684 175205201 /nfs/dbraw/zinc/20/52/01/175205201.db2.gz RRLRFDYKHMTIJR-GDBMZVCRSA-N 2 2 276.424 2.787 10 0 CFAELP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000044561684 175205202 /nfs/dbraw/zinc/20/52/02/175205202.db2.gz RRLRFDYKHMTIJR-GDBMZVCRSA-N 2 2 276.424 2.787 10 0 CFAELP c1ccc([C@@H]2C[C@H]2[NH2+]C[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000044675954 175226830 /nfs/dbraw/zinc/22/68/30/175226830.db2.gz VFSXISXPPHCWIC-GBESFXJTSA-N 2 2 278.399 2.847 10 0 CFAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044746774 175242689 /nfs/dbraw/zinc/24/26/89/175242689.db2.gz YRSNXSHMBYKKPQ-RHSMWYFYSA-N 2 2 274.408 2.844 10 0 CFAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044746774 175242690 /nfs/dbraw/zinc/24/26/90/175242690.db2.gz YRSNXSHMBYKKPQ-RHSMWYFYSA-N 2 2 274.408 2.844 10 0 CFAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747287 175242982 /nfs/dbraw/zinc/24/29/82/175242982.db2.gz LTFJLKRMSVQLNB-MLGOLLRUSA-N 2 2 271.364 2.644 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747536 175243213 /nfs/dbraw/zinc/24/32/13/175243213.db2.gz ZJIKSEABISWKFK-IAGOWNOFSA-N 2 2 276.424 2.945 10 0 CFAELP [NH3+]CC1([N@@H+]2CCC[C@H]2C2CCCC2)CCSCC1 ZINC000045071108 175301424 /nfs/dbraw/zinc/30/14/24/175301424.db2.gz KPPOSGPHLREXIE-AWEZNQCLSA-N 2 2 268.470 2.866 10 0 CFAELP [NH3+]CC1([N@H+]2CCC[C@H]2C2CCCC2)CCSCC1 ZINC000045071108 175301425 /nfs/dbraw/zinc/30/14/25/175301425.db2.gz KPPOSGPHLREXIE-AWEZNQCLSA-N 2 2 268.470 2.866 10 0 CFAELP CC(C)[N@@H+]1CC[C@H](CNc2ccc3cc(N)ccc3[nH+]2)C1 ZINC000045118662 175311595 /nfs/dbraw/zinc/31/15/95/175311595.db2.gz AMCOVZVLNKLNNJ-CYBMUJFWSA-N 2 2 284.407 2.959 10 0 CFAELP CC(C)[N@H+]1CC[C@H](CNc2ccc3cc(N)ccc3[nH+]2)C1 ZINC000045118662 175311597 /nfs/dbraw/zinc/31/15/97/175311597.db2.gz AMCOVZVLNKLNNJ-CYBMUJFWSA-N 2 2 284.407 2.959 10 0 CFAELP CCOC(=O)[C@](C)(CCC[NH+]1CCC(C)CC1)[NH2+]C(C)C ZINC000045375016 175365485 /nfs/dbraw/zinc/36/54/85/175365485.db2.gz FHOMMHNFMHFMDA-KRWDZBQOSA-N 2 2 298.471 2.818 10 0 CFAELP CCC[NH2+][C@](C)(CCCC[NH+]1CCCC1)C(=O)OCC ZINC000045375279 175366326 /nfs/dbraw/zinc/36/63/26/175366326.db2.gz HXOJIGRFKSSZDE-MRXNPFEDSA-N 2 2 284.444 2.574 10 0 CFAELP CC[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)OC)CC(C)C ZINC000045381741 175370211 /nfs/dbraw/zinc/37/02/11/175370211.db2.gz NYIDAJWAEWSNHA-KRWDZBQOSA-N 2 2 298.471 2.818 10 0 CFAELP CC[N@@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)OC)CC(C)C ZINC000045381741 175370212 /nfs/dbraw/zinc/37/02/12/175370212.db2.gz NYIDAJWAEWSNHA-KRWDZBQOSA-N 2 2 298.471 2.818 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@H+](C)C[C@@H](C)CC)[NH2+]C1CC1 ZINC000045388739 175373974 /nfs/dbraw/zinc/37/39/74/175373974.db2.gz PFPAGAFOYWPMAS-YOEHRIQHSA-N 2 2 298.471 2.818 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@@H+](C)C[C@@H](C)CC)[NH2+]C1CC1 ZINC000045388739 175373975 /nfs/dbraw/zinc/37/39/75/175373975.db2.gz PFPAGAFOYWPMAS-YOEHRIQHSA-N 2 2 298.471 2.818 10 0 CFAELP CC(C)[NH2+]CC1(C[NH+]2Cc3ccccc3C2)CCOCC1 ZINC000052182104 175533185 /nfs/dbraw/zinc/53/31/85/175533185.db2.gz YNYRWCZQLFALIX-UHFFFAOYSA-N 2 2 288.435 2.797 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2C)C1 ZINC000395175532 270311765 /nfs/dbraw/zinc/31/17/65/270311765.db2.gz FYWXVRZTIGRTML-AWEZNQCLSA-N 2 2 297.240 2.941 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2C)C1 ZINC000395175532 270311766 /nfs/dbraw/zinc/31/17/66/270311766.db2.gz FYWXVRZTIGRTML-AWEZNQCLSA-N 2 2 297.240 2.941 10 0 CFAELP CSC[C@H](C)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000131592016 278137375 /nfs/dbraw/zinc/13/73/75/278137375.db2.gz QGANJUSACVZWQN-HOCLYGCPSA-N 2 2 278.465 2.645 10 0 CFAELP CSC[C@H](C)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000131592016 278137376 /nfs/dbraw/zinc/13/73/76/278137376.db2.gz QGANJUSACVZWQN-HOCLYGCPSA-N 2 2 278.465 2.645 10 0 CFAELP C[C@H]1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)[C@H](C[NH3+])C1 ZINC000261637820 278368524 /nfs/dbraw/zinc/36/85/24/278368524.db2.gz HVZJCKQADQIWMI-FZMZJTMJSA-N 2 2 292.814 2.547 10 0 CFAELP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396614085 281196277 /nfs/dbraw/zinc/19/62/77/281196277.db2.gz ALUNRFXDAJVLAF-WOSRLPQWSA-N 2 2 262.397 2.876 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163948134 322379859 /nfs/dbraw/zinc/37/98/59/322379859.db2.gz VTXJQIBDOVUDHW-SWLSCSKDSA-N 2 2 269.392 2.964 10 0 CFAELP CCCc1[nH+]c2ccccc2n1CC[C@H]1CC[NH2+]C1 ZINC000395804272 324542343 /nfs/dbraw/zinc/54/23/43/324542343.db2.gz IVRQCKPNXYIXFI-CYBMUJFWSA-N 2 2 257.381 2.988 10 0 CFAELP CCC[N@H+](CC)[C@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596558 521615166 /nfs/dbraw/zinc/61/51/66/521615166.db2.gz RIAFTDFEHPRMDC-CQSZACIVSA-N 2 2 250.386 2.735 10 0 CFAELP CCC[N@@H+](CC)[C@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596558 521615169 /nfs/dbraw/zinc/61/51/69/521615169.db2.gz RIAFTDFEHPRMDC-CQSZACIVSA-N 2 2 250.386 2.735 10 0 CFAELP CCOC1CC[NH+]([C@H](CC)C[NH2+]CC(C)C)CC1 ZINC000052483960 521656841 /nfs/dbraw/zinc/65/68/41/521656841.db2.gz OAGUZEQBMSJGED-CQSZACIVSA-N 2 2 256.434 2.512 10 0 CFAELP CC[C@@H](C[NH2+]C1CC1)[N@H+](C)Cc1ccc(OC)cc1 ZINC000052541562 522545575 /nfs/dbraw/zinc/54/55/75/522545575.db2.gz JPZKVLARRKFODR-HNNXBMFYSA-N 2 2 262.397 2.658 10 0 CFAELP CC[C@@H](C[NH2+]C1CC1)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000052541562 522545582 /nfs/dbraw/zinc/54/55/82/522545582.db2.gz JPZKVLARRKFODR-HNNXBMFYSA-N 2 2 262.397 2.658 10 0 CFAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@H+](C)CCc1ccccn1 ZINC000052423729 519722546 /nfs/dbraw/zinc/72/25/46/519722546.db2.gz AHHZLAPGDKBWCW-INIZCTEOSA-N 2 2 263.429 2.579 10 0 CFAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@@H+](C)CCc1ccccn1 ZINC000052423729 519722548 /nfs/dbraw/zinc/72/25/48/519722548.db2.gz AHHZLAPGDKBWCW-INIZCTEOSA-N 2 2 263.429 2.579 10 0 CFAELP CC(C)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000053012370 519746188 /nfs/dbraw/zinc/74/61/88/519746188.db2.gz KHKBJEDJFVMQKO-CQSZACIVSA-N 2 2 264.388 2.893 10 0 CFAELP CC(C)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000053012370 519746189 /nfs/dbraw/zinc/74/61/89/519746189.db2.gz KHKBJEDJFVMQKO-CQSZACIVSA-N 2 2 264.388 2.893 10 0 CFAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000052419046 519794894 /nfs/dbraw/zinc/79/48/94/519794894.db2.gz MEAVKRVRYHQTRU-QGZVFWFLSA-N 2 2 258.409 2.821 10 0 CFAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000052419046 519794895 /nfs/dbraw/zinc/79/48/95/519794895.db2.gz MEAVKRVRYHQTRU-QGZVFWFLSA-N 2 2 258.409 2.821 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000049199018 519814647 /nfs/dbraw/zinc/81/46/47/519814647.db2.gz PPASSXUFVPRLPV-KRWDZBQOSA-N 2 2 286.423 2.548 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H]1CCc2c1cccc2O ZINC000049197855 519814919 /nfs/dbraw/zinc/81/49/19/519814919.db2.gz YAMNQQUJWYRZBO-GJZGRUSLSA-N 2 2 262.397 2.555 10 0 CFAELP CCCC1CC[NH+](Cc2csc(C[NH2+]C)n2)CC1 ZINC000052373747 519902818 /nfs/dbraw/zinc/90/28/18/519902818.db2.gz MSJMBOVEPHGCIP-UHFFFAOYSA-N 2 2 267.442 2.875 10 0 CFAELP CCCC1CC[NH+]([C@H](c2ccccn2)[C@@H](C)[NH3+])CC1 ZINC000050893007 519903313 /nfs/dbraw/zinc/90/33/13/519903313.db2.gz PPGQRQXZDDFXAA-CJNGLKHVSA-N 2 2 261.413 2.982 10 0 CFAELP CCC[NH2+]CC[C@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374748 519919547 /nfs/dbraw/zinc/91/95/47/519919547.db2.gz NSLQJOKIUNPSTG-HNNXBMFYSA-N 2 2 293.430 2.726 10 0 CFAELP CC[NH2+]C[C@H](c1ccccc1)[N@H+](C)CCc1ccccn1 ZINC000052423997 519975477 /nfs/dbraw/zinc/97/54/77/519975477.db2.gz MBKAYAQGVKISGC-GOSISDBHSA-N 2 2 283.419 2.907 10 0 CFAELP CC[NH2+]C[C@H](c1ccccc1)[N@@H+](C)CCc1ccccn1 ZINC000052423997 519975479 /nfs/dbraw/zinc/97/54/79/519975479.db2.gz MBKAYAQGVKISGC-GOSISDBHSA-N 2 2 283.419 2.907 10 0 CFAELP CCCC[N@H+](C)[C@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596498 520433392 /nfs/dbraw/zinc/43/33/92/520433392.db2.gz NSJWWCBLDNVHIS-CQSZACIVSA-N 2 2 250.386 2.735 10 0 CFAELP CCCC[N@@H+](C)[C@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596498 520433397 /nfs/dbraw/zinc/43/33/97/520433397.db2.gz NSJWWCBLDNVHIS-CQSZACIVSA-N 2 2 250.386 2.735 10 0 CFAELP CC[N@H+](Cc1cc(C)ccc1OC)[C@](C)(CC)C[NH3+] ZINC000050702875 521288765 /nfs/dbraw/zinc/28/87/65/521288765.db2.gz JQTXNNPGLZPKEY-MRXNPFEDSA-N 2 2 264.413 2.953 10 0 CFAELP CC[N@@H+](Cc1cc(C)ccc1OC)[C@](C)(CC)C[NH3+] ZINC000050702875 521288772 /nfs/dbraw/zinc/28/87/72/521288772.db2.gz JQTXNNPGLZPKEY-MRXNPFEDSA-N 2 2 264.413 2.953 10 0 CFAELP CC[N@H+](Cc1cccs1)[C@]1(C[NH3+])CCCSC1 ZINC000061590169 521409735 /nfs/dbraw/zinc/40/97/35/521409735.db2.gz CYLPZEZEQXDZOE-ZDUSSCGKSA-N 2 2 270.467 2.795 10 0 CFAELP CC[N@@H+](Cc1cccs1)[C@]1(C[NH3+])CCCSC1 ZINC000061590169 521409744 /nfs/dbraw/zinc/40/97/44/521409744.db2.gz CYLPZEZEQXDZOE-ZDUSSCGKSA-N 2 2 270.467 2.795 10 0 CFAELP CCCn1c(C[NH2+][C@@H](C)CC[NH+](C)C)nc2ccccc21 ZINC000049554450 521629592 /nfs/dbraw/zinc/62/95/92/521629592.db2.gz QCBQDBNEIVRAAL-AWEZNQCLSA-N 2 2 288.439 2.876 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2OC)C1 ZINC000328327848 521721393 /nfs/dbraw/zinc/72/13/93/521721393.db2.gz GRAANRMEQBEIMI-KBPBESRZSA-N 2 2 262.397 2.748 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2OC)C1 ZINC000328327848 521721395 /nfs/dbraw/zinc/72/13/95/521721395.db2.gz GRAANRMEQBEIMI-KBPBESRZSA-N 2 2 262.397 2.748 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@H+](C)[C@@H]1CCSC1 ZINC000052203491 521929814 /nfs/dbraw/zinc/92/98/14/521929814.db2.gz ILGIWZPZIRWLIH-UKRRQHHQSA-N 2 2 264.438 2.686 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@@H+](C)[C@@H]1CCSC1 ZINC000052203491 521929820 /nfs/dbraw/zinc/92/98/20/521929820.db2.gz ILGIWZPZIRWLIH-UKRRQHHQSA-N 2 2 264.438 2.686 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@@H+](CCOC)[C@@H](C)CC ZINC000052203821 521953497 /nfs/dbraw/zinc/95/34/97/521953497.db2.gz IDAYIQLAKZDUDC-YOEHRIQHSA-N 2 2 278.440 2.996 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@H+](CCOC)[C@@H](C)CC ZINC000052203821 521953504 /nfs/dbraw/zinc/95/35/04/521953504.db2.gz IDAYIQLAKZDUDC-YOEHRIQHSA-N 2 2 278.440 2.996 10 0 CFAELP C[NH+](C)c1ccc(N2[C@@H]3CCC[C@H]2CC([NH3+])C3)cc1 ZINC000054602110 522219831 /nfs/dbraw/zinc/21/98/31/522219831.db2.gz RQTKVIDDHVZSPV-SFESLNEESA-N 2 2 259.397 2.601 10 0 CFAELP CCc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)C1CC1 ZINC000062808230 522500565 /nfs/dbraw/zinc/50/05/65/522500565.db2.gz RSTGFAONGODWIJ-GFCCVEGCSA-N 2 2 257.381 2.987 10 0 CFAELP CCc1[nH+]c2ccccc2n1[C@H](C[NH3+])C(F)(F)F ZINC000062807190 522507649 /nfs/dbraw/zinc/50/76/49/522507649.db2.gz APJZERJSIAQDJN-SNVBAGLBSA-N 2 2 257.259 2.661 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[NH+]1CCC(C)(C)CC1 ZINC000061818532 522653883 /nfs/dbraw/zinc/65/38/83/522653883.db2.gz LSEMCXFDSDACBP-UKRRQHHQSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cn2cc(C)ccc2[nH+]1 ZINC000246203133 523322028 /nfs/dbraw/zinc/32/20/28/523322028.db2.gz XYZBJGJYFARTSJ-IRXDYDNUSA-N 2 2 298.434 2.701 10 0 CFAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cn2cc(C)ccc2[nH+]1 ZINC000246203133 523322033 /nfs/dbraw/zinc/32/20/33/523322033.db2.gz XYZBJGJYFARTSJ-IRXDYDNUSA-N 2 2 298.434 2.701 10 0 CFAELP COc1ccc(C[N@H+](C)[C@H](C)C[NH2+]C(C)C)cc1 ZINC000052541539 524009285 /nfs/dbraw/zinc/00/92/85/524009285.db2.gz YETNYWLTRRSSTB-CYBMUJFWSA-N 2 2 250.386 2.514 10 0 CFAELP COc1ccc(C[N@@H+](C)[C@H](C)C[NH2+]C(C)C)cc1 ZINC000052541539 524009290 /nfs/dbraw/zinc/00/92/90/524009290.db2.gz YETNYWLTRRSSTB-CYBMUJFWSA-N 2 2 250.386 2.514 10 0 CFAELP C[C@H]1CCC[N@H+](CCOc2cccc(Cl)c2)[C@@H]1C[NH3+] ZINC000070177858 524092869 /nfs/dbraw/zinc/09/28/69/524092869.db2.gz QDTNPHDARUDYTC-SWLSCSKDSA-N 2 2 282.815 2.778 10 0 CFAELP C[C@H]1CCC[N@@H+](CCOc2cccc(Cl)c2)[C@@H]1C[NH3+] ZINC000070177858 524092878 /nfs/dbraw/zinc/09/28/78/524092878.db2.gz QDTNPHDARUDYTC-SWLSCSKDSA-N 2 2 282.815 2.778 10 0 CFAELP COc1cccc([C@H](C)[NH2+][C@H](C[NH+](C)C)C(C)C)c1 ZINC000049195873 524155725 /nfs/dbraw/zinc/15/57/25/524155725.db2.gz YHOJMMZWTRDYDH-XJKSGUPXSA-N 2 2 264.413 2.932 10 0 CFAELP C[C@H](CC[NH+](C)C)[NH2+]Cc1c(F)cccc1Cl ZINC000049553396 524164608 /nfs/dbraw/zinc/16/46/08/524164608.db2.gz GJFVZSCBJMELQI-SNVBAGLBSA-N 2 2 258.768 2.909 10 0 CFAELP C[C@H](CC[NH+](C)C)Nc1ccc2[nH+]cccc2c1N ZINC000049555411 524169581 /nfs/dbraw/zinc/16/95/81/524169581.db2.gz PVFZOLGJAODRGP-LLVKDONJSA-N 2 2 258.369 2.569 10 0 CFAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1F ZINC000050885008 524589946 /nfs/dbraw/zinc/58/99/46/524589946.db2.gz PYOLEPGZJCYSEN-MNOVXSKESA-N 2 2 254.324 2.524 10 0 CFAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1F ZINC000050885008 524589954 /nfs/dbraw/zinc/58/99/54/524589954.db2.gz PYOLEPGZJCYSEN-MNOVXSKESA-N 2 2 254.324 2.524 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C(C)(C)C)o2)C[C@H](C)O1 ZINC000052380382 524993683 /nfs/dbraw/zinc/99/36/83/524993683.db2.gz ATLYBBTUEVIWLN-BETUJISGSA-N 2 2 280.412 2.777 10 0 CFAELP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C(C)(C)C)o2)C[C@H](C)O1 ZINC000052380382 524993695 /nfs/dbraw/zinc/99/36/95/524993695.db2.gz ATLYBBTUEVIWLN-BETUJISGSA-N 2 2 280.412 2.777 10 0 CFAELP COc1ccc([C@@H](C)[NH2+][C@H](C)C[NH+]2CCCC2)cc1 ZINC000049149463 525162726 /nfs/dbraw/zinc/16/27/26/525162726.db2.gz SJIQEELRHCOXDI-ZIAGYGMSSA-N 2 2 262.397 2.830 10 0 CFAELP Cc1cc2[nH+]cn(Cc3ccc(C[NH3+])o3)c2cc1C ZINC000052575645 525686732 /nfs/dbraw/zinc/68/67/32/525686732.db2.gz DTIIANABCJJPQV-UHFFFAOYSA-N 2 2 255.321 2.753 10 0 CFAELP COc1cccc(C[N@H+](C)[C@@H](C)C[NH2+]C(C)(C)C)c1 ZINC000052372874 525918184 /nfs/dbraw/zinc/91/81/84/525918184.db2.gz MMSFJJYRLIHUAI-ZDUSSCGKSA-N 2 2 264.413 2.904 10 0 CFAELP COc1cccc(C[N@@H+](C)[C@@H](C)C[NH2+]C(C)(C)C)c1 ZINC000052372874 525918189 /nfs/dbraw/zinc/91/81/89/525918189.db2.gz MMSFJJYRLIHUAI-ZDUSSCGKSA-N 2 2 264.413 2.904 10 0 CFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000192180631 526077656 /nfs/dbraw/zinc/07/76/56/526077656.db2.gz WGWFUVMDNOHLHX-YOEHRIQHSA-N 2 2 285.391 2.838 10 0 CFAELP c1ccc2c(c1)C[NH+](CC1(C[NH2+]C3CC3)CCOCC1)C2 ZINC000052182106 526506233 /nfs/dbraw/zinc/50/62/33/526506233.db2.gz BBOVXYQLFZYADQ-UHFFFAOYSA-N 2 2 286.419 2.551 10 0 CFAELP [NH3+]C[C@@H](Cc1ccccc1)[NH+]1Cc2ccccc2C1 ZINC000050910626 527203691 /nfs/dbraw/zinc/20/36/91/527203691.db2.gz OTANDNOSQYNOGZ-QGZVFWFLSA-N 2 2 252.361 2.572 10 0 CFAELP [NH3+]Cc1nc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)cs1 ZINC000052482313 527265762 /nfs/dbraw/zinc/26/57/62/527265762.db2.gz COZXHOQFTXTYIO-VXGBXAGGSA-N 2 2 265.426 2.614 10 0 CFAELP [NH3+]Cc1nc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cs1 ZINC000052482313 527265767 /nfs/dbraw/zinc/26/57/67/527265767.db2.gz COZXHOQFTXTYIO-VXGBXAGGSA-N 2 2 265.426 2.614 10 0 CFAELP OCCC[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000052762435 527544377 /nfs/dbraw/zinc/54/43/77/527544377.db2.gz KYHXVDYUPNOHBX-INIZCTEOSA-N 2 2 285.391 2.609 10 0 CFAELP OCCC[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000052762435 527544382 /nfs/dbraw/zinc/54/43/82/527544382.db2.gz KYHXVDYUPNOHBX-INIZCTEOSA-N 2 2 285.391 2.609 10 0 CFAELP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000095968589 618286551 /nfs/dbraw/zinc/28/65/51/618286551.db2.gz USSKFUCVCVIFHX-RDBSUJKOSA-N 2 2 256.434 2.508 10 0 CFAELP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000095968589 618286552 /nfs/dbraw/zinc/28/65/52/618286552.db2.gz USSKFUCVCVIFHX-RDBSUJKOSA-N 2 2 256.434 2.508 10 0 CFAELP COC[C@@H]([NH3+])C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000159511137 348013129 /nfs/dbraw/zinc/01/31/29/348013129.db2.gz HPEZJIVIUJMCRI-SFHVURJKSA-N 2 2 284.403 2.663 10 0 CFAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2nc3ccccc3s2)CC1 ZINC000086817321 179345078 /nfs/dbraw/zinc/34/50/78/179345078.db2.gz QATCMDNNMJAJOB-LBPRGKRZSA-N 2 2 275.421 2.870 10 0 CFAELP C[N@H+]1CCC[C@H]([NH2+]Cc2nc3ccccc3s2)CC1 ZINC000086817321 179345080 /nfs/dbraw/zinc/34/50/80/179345080.db2.gz QATCMDNNMJAJOB-LBPRGKRZSA-N 2 2 275.421 2.870 10 0 CFAELP Cc1cc([NH+](C)C)ccc1N[C@@H]1CCC[N@H+](C)CC1 ZINC000086817613 179346044 /nfs/dbraw/zinc/34/60/44/179346044.db2.gz NHNBEZGDFQBNAA-CQSZACIVSA-N 2 2 261.413 2.957 10 0 CFAELP Cc1cc([NH+](C)C)ccc1N[C@@H]1CCC[N@@H+](C)CC1 ZINC000086817613 179346045 /nfs/dbraw/zinc/34/60/45/179346045.db2.gz NHNBEZGDFQBNAA-CQSZACIVSA-N 2 2 261.413 2.957 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1(C)C ZINC000246321292 348262785 /nfs/dbraw/zinc/26/27/85/348262785.db2.gz WZOYLXIJOUMDFT-CBBWQLFWSA-N 2 2 268.445 2.508 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)C1(C)C ZINC000246321292 348262789 /nfs/dbraw/zinc/26/27/89/348262789.db2.gz WZOYLXIJOUMDFT-CBBWQLFWSA-N 2 2 268.445 2.508 10 0 CFAELP CC(C)[NH+]1CCC2(CC1)[NH2+][C@H](C)Cc1ccsc12 ZINC000584883781 348726568 /nfs/dbraw/zinc/72/65/68/348726568.db2.gz INUVOOCMVFQGOO-GFCCVEGCSA-N 2 2 264.438 2.982 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000122854112 187055888 /nfs/dbraw/zinc/05/58/88/187055888.db2.gz ALADMNUFGYZNBE-GFCCVEGCSA-N 2 2 276.409 2.739 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000122854112 187055889 /nfs/dbraw/zinc/05/58/89/187055889.db2.gz ALADMNUFGYZNBE-GFCCVEGCSA-N 2 2 276.409 2.739 10 0 CFAELP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c[nH+]c2c(C)cccn12 ZINC000123418682 187090839 /nfs/dbraw/zinc/09/08/39/187090839.db2.gz AUKIUGXJMYBEGC-OAHLLOKOSA-N 2 2 286.423 2.559 10 0 CFAELP CC[N@H+]1CCC[C@@H]1CN(C)Cc1c[nH+]c2c(C)cccn12 ZINC000123418682 187090840 /nfs/dbraw/zinc/09/08/40/187090840.db2.gz AUKIUGXJMYBEGC-OAHLLOKOSA-N 2 2 286.423 2.559 10 0 CFAELP Cc1cccc(N2CC[C@H](CNc3cccc[nH+]3)C2)[nH+]1 ZINC000157331869 188310263 /nfs/dbraw/zinc/31/02/63/188310263.db2.gz AQVWOPKXQFIFBS-CQSZACIVSA-N 2 2 268.364 2.723 10 0 CFAELP C[C@@H]1C[N@H+](Cc2ccc(Br)s2)C[C@@H]1C[NH3+] ZINC000631841708 355604188 /nfs/dbraw/zinc/60/41/88/355604188.db2.gz ORWBDAFPIRVQCI-BDAKNGLRSA-N 2 2 289.242 2.537 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2ccc(Br)s2)C[C@@H]1C[NH3+] ZINC000631841708 355604190 /nfs/dbraw/zinc/60/41/90/355604190.db2.gz ORWBDAFPIRVQCI-BDAKNGLRSA-N 2 2 289.242 2.537 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@](C)(O)c1ccccc1 ZINC000178317460 189106353 /nfs/dbraw/zinc/10/63/53/189106353.db2.gz QSLCMCPBBYSASY-ROUUACIJSA-N 2 2 299.418 2.564 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@](C)(O)c1ccccc1 ZINC000178317460 189106354 /nfs/dbraw/zinc/10/63/54/189106354.db2.gz QSLCMCPBBYSASY-ROUUACIJSA-N 2 2 299.418 2.564 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000178323125 189106973 /nfs/dbraw/zinc/10/69/73/189106973.db2.gz ZIUFEANODNRWKK-AWEZNQCLSA-N 2 2 290.798 2.905 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000178323125 189106974 /nfs/dbraw/zinc/10/69/74/189106974.db2.gz ZIUFEANODNRWKK-AWEZNQCLSA-N 2 2 290.798 2.905 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000178333691 189108089 /nfs/dbraw/zinc/10/80/89/189108089.db2.gz BVBYRRHPZQMCJF-INIZCTEOSA-N 2 2 273.355 2.995 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000178333691 189108090 /nfs/dbraw/zinc/10/80/90/189108090.db2.gz BVBYRRHPZQMCJF-INIZCTEOSA-N 2 2 273.355 2.995 10 0 CFAELP CC(C)n1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000179855265 189224094 /nfs/dbraw/zinc/22/40/94/189224094.db2.gz UCJJFSUVBINLJH-OAHLLOKOSA-N 2 2 299.422 2.793 10 0 CFAELP CC(C)n1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000179855265 189224095 /nfs/dbraw/zinc/22/40/95/189224095.db2.gz UCJJFSUVBINLJH-OAHLLOKOSA-N 2 2 299.422 2.793 10 0 CFAELP Cn1c2ccccc2[nH+]c1N[C@@H](C[NH3+])C1CCCC1 ZINC000236100172 189832218 /nfs/dbraw/zinc/83/22/18/189832218.db2.gz YHEWMACPKFUXQD-ZDUSSCGKSA-N 2 2 258.369 2.503 10 0 CFAELP CC1CC[NH+]([C@H](C[NH3+])c2ccc3c(c2)OCCCO3)CC1 ZINC000037675121 372689385 /nfs/dbraw/zinc/68/93/85/372689385.db2.gz ABMHMXVDPDKOGC-OAHLLOKOSA-N 2 2 290.407 2.580 10 0 CFAELP CCCc1cc(N2CC[NH2+]CC2)nc(-c2ccccc2)[nH+]1 ZINC000058047199 373624659 /nfs/dbraw/zinc/62/46/59/373624659.db2.gz KZBIDLRRNMARFY-UHFFFAOYSA-N 2 2 282.391 2.506 10 0 CFAELP Cc1ccc(-c2nc(N3CC[C@H]([NH3+])C3)c(C)c(C)[nH+]2)cc1 ZINC000070455793 374179946 /nfs/dbraw/zinc/17/99/46/374179946.db2.gz IXQRCWNDHJPUHQ-HNNXBMFYSA-N 2 2 282.391 2.606 10 0 CFAELP CCc1c(C)[nH+]c(C(C)C)nc1NC[C@@H]1CCC[NH2+]C1 ZINC000070456377 374181212 /nfs/dbraw/zinc/18/12/12/374181212.db2.gz OUHPIDJOSGJRLQ-CYBMUJFWSA-N 2 2 276.428 2.882 10 0 CFAELP CCc1c(C)[nH+]c(-c2ccccc2)nc1N1CC[C@@H]([NH3+])C1 ZINC000070455778 374179065 /nfs/dbraw/zinc/17/90/65/374179065.db2.gz HIWCNRAPPBRCHK-CQSZACIVSA-N 2 2 282.391 2.552 10 0 CFAELP CC(C)n1c[nH+]cc1CN[C@@H](C[NH+](C)C)c1ccccc1 ZINC000090207652 375004100 /nfs/dbraw/zinc/00/41/00/375004100.db2.gz CPVUUXZPDYMPJA-KRWDZBQOSA-N 2 2 286.423 2.857 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCOC(C)C)C1 ZINC000105922471 375794505 /nfs/dbraw/zinc/79/45/05/375794505.db2.gz GNVHRHQKVHVMNX-OAHLLOKOSA-N 2 2 279.428 2.898 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCOC(C)C)C1 ZINC000105922471 375794512 /nfs/dbraw/zinc/79/45/12/375794512.db2.gz GNVHRHQKVHVMNX-OAHLLOKOSA-N 2 2 279.428 2.898 10 0 CFAELP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000151343028 378318557 /nfs/dbraw/zinc/31/85/57/378318557.db2.gz RAHUZOHOXGUNTQ-UONOGXRCSA-N 2 2 296.480 2.808 10 0 CFAELP CC(C)[C@@H](C)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000163042283 378950545 /nfs/dbraw/zinc/95/05/45/378950545.db2.gz AFQFJQAXRSEXLF-LLVKDONJSA-N 2 2 282.351 2.667 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000172163284 379508199 /nfs/dbraw/zinc/50/81/99/379508199.db2.gz VHDOITPRPGADPH-MRXNPFEDSA-N 2 2 284.407 2.720 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000172163284 379508206 /nfs/dbraw/zinc/50/82/06/379508206.db2.gz VHDOITPRPGADPH-MRXNPFEDSA-N 2 2 284.407 2.720 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C)nc1C ZINC000187125997 382105429 /nfs/dbraw/zinc/10/54/29/382105429.db2.gz FEFLGRQEMWSQGJ-KRWDZBQOSA-N 2 2 284.407 2.868 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C)nc1C ZINC000187125997 382105432 /nfs/dbraw/zinc/10/54/32/382105432.db2.gz FEFLGRQEMWSQGJ-KRWDZBQOSA-N 2 2 284.407 2.868 10 0 CFAELP CC1(C)CC[C@H](C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)O1 ZINC000187065742 382090024 /nfs/dbraw/zinc/09/00/24/382090024.db2.gz GFKRTTTZEKBFIJ-HUUCEWRRSA-N 2 2 289.423 2.773 10 0 CFAELP CC1(C)CC[C@H](C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)O1 ZINC000187065742 382090028 /nfs/dbraw/zinc/09/00/28/382090028.db2.gz GFKRTTTZEKBFIJ-HUUCEWRRSA-N 2 2 289.423 2.773 10 0 CFAELP FC(F)(F)c1cc[nH+]c(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000312781835 382516901 /nfs/dbraw/zinc/51/69/01/382516901.db2.gz HUIIIQPSVANFEF-PHIMTYICSA-N 2 2 285.313 2.536 10 0 CFAELP C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328626405 382557149 /nfs/dbraw/zinc/55/71/49/382557149.db2.gz FANRIMQWCURLHR-HJWJTTGWSA-N 2 2 273.424 2.853 10 0 CFAELP C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328626405 382557151 /nfs/dbraw/zinc/55/71/51/382557151.db2.gz FANRIMQWCURLHR-HJWJTTGWSA-N 2 2 273.424 2.853 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(CSC)CC2)C1 ZINC000385326579 382570323 /nfs/dbraw/zinc/57/03/23/382570323.db2.gz STNQIVZSXVNVIA-JXQTWKCFSA-N 2 2 256.459 2.592 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(CSC)CC2)C1 ZINC000385326579 382570327 /nfs/dbraw/zinc/57/03/27/382570327.db2.gz STNQIVZSXVNVIA-JXQTWKCFSA-N 2 2 256.459 2.592 10 0 CFAELP [NH3+]C[C@H]1CC[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000382453653 382530544 /nfs/dbraw/zinc/53/05/44/382530544.db2.gz HOMSDYRNVIBZOM-WCBMZHEXSA-N 2 2 259.275 2.640 10 0 CFAELP Fc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000189315546 382590016 /nfs/dbraw/zinc/59/00/16/382590016.db2.gz NQHXOPAYUCETGK-AWEZNQCLSA-N 2 2 286.354 2.550 10 0 CFAELP Fc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000189315546 382590021 /nfs/dbraw/zinc/59/00/21/382590021.db2.gz NQHXOPAYUCETGK-AWEZNQCLSA-N 2 2 286.354 2.550 10 0 CFAELP Cc1cc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000195516163 382768793 /nfs/dbraw/zinc/76/87/93/382768793.db2.gz FQGLVNFATGIGTJ-CQSZACIVSA-N 2 2 286.379 2.620 10 0 CFAELP Cc1cc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000195516163 382768796 /nfs/dbraw/zinc/76/87/96/382768796.db2.gz FQGLVNFATGIGTJ-CQSZACIVSA-N 2 2 286.379 2.620 10 0 CFAELP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](CC)C2)cc1 ZINC000336886107 382737272 /nfs/dbraw/zinc/73/72/72/382737272.db2.gz BNVCIUHEANUVEO-DZGCQCFKSA-N 2 2 262.397 2.830 10 0 CFAELP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000336886107 382737274 /nfs/dbraw/zinc/73/72/74/382737274.db2.gz BNVCIUHEANUVEO-DZGCQCFKSA-N 2 2 262.397 2.830 10 0 CFAELP [NH3+][C@@H]1CCC[C@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)C[C@@H]21 ZINC000230134102 382855918 /nfs/dbraw/zinc/85/59/18/382855918.db2.gz JNCKOWDVIBAKGR-ZMLRMANQSA-N 2 2 285.313 2.664 10 0 CFAELP [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000237950473 382974973 /nfs/dbraw/zinc/97/49/73/382974973.db2.gz QZFLWYKFHUUKSS-CHWSQXEVSA-N 2 2 297.358 2.940 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccco4)n3)C[C@H]12 ZINC000261719504 383548081 /nfs/dbraw/zinc/54/80/81/383548081.db2.gz KEPNIMWNYFVSNW-KGYLQXTDSA-N 2 2 289.404 2.572 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4ccco4)n3)C[C@H]12 ZINC000261719504 383548086 /nfs/dbraw/zinc/54/80/86/383548086.db2.gz KEPNIMWNYFVSNW-KGYLQXTDSA-N 2 2 289.404 2.572 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(-c4ccco4)n3)C[C@H]12 ZINC000261719508 383548718 /nfs/dbraw/zinc/54/87/18/383548718.db2.gz KEPNIMWNYFVSNW-WCFLWFBJSA-N 2 2 289.404 2.572 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4ccco4)n3)C[C@H]12 ZINC000261719508 383548722 /nfs/dbraw/zinc/54/87/22/383548722.db2.gz KEPNIMWNYFVSNW-WCFLWFBJSA-N 2 2 289.404 2.572 10 0 CFAELP CCc1oc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261936380 383582652 /nfs/dbraw/zinc/58/26/52/383582652.db2.gz DGURJKCFYMDNSK-RISCZKNCSA-N 2 2 258.365 2.774 10 0 CFAELP CCc1oc2ccccc2c1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261936380 383582659 /nfs/dbraw/zinc/58/26/59/383582659.db2.gz DGURJKCFYMDNSK-RISCZKNCSA-N 2 2 258.365 2.774 10 0 CFAELP CC(C)COc1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000262017595 383595214 /nfs/dbraw/zinc/59/52/14/383595214.db2.gz MWCBEDUNNMBMMA-BBRMVZONSA-N 2 2 262.397 2.500 10 0 CFAELP CC(C)COc1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000262017595 383595219 /nfs/dbraw/zinc/59/52/19/383595219.db2.gz MWCBEDUNNMBMMA-BBRMVZONSA-N 2 2 262.397 2.500 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(-c4cccs4)on3)C[C@@H]12 ZINC000261756420 383554350 /nfs/dbraw/zinc/55/43/50/383554350.db2.gz NIMHPIIOZJTPGB-CYZMBNFOSA-N 2 2 289.404 2.572 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-c4cccs4)on3)C[C@@H]12 ZINC000261756420 383554352 /nfs/dbraw/zinc/55/43/52/383554352.db2.gz NIMHPIIOZJTPGB-CYZMBNFOSA-N 2 2 289.404 2.572 10 0 CFAELP C[NH+](C)C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000070346260 412970794 /nfs/dbraw/zinc/97/07/94/412970794.db2.gz XRKHHKRVMKSEJX-HZPDHXFCSA-N 2 2 276.424 2.837 10 0 CFAELP CC(C)n1cc[nH+]c1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000573614729 383962934 /nfs/dbraw/zinc/96/29/34/383962934.db2.gz OHISITPPSSPSAR-HUUCEWRRSA-N 2 2 276.428 2.571 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000070356765 412973845 /nfs/dbraw/zinc/97/38/45/412973845.db2.gz SMCALDNRPCRDTP-UONOGXRCSA-N 2 2 256.434 2.510 10 0 CFAELP CC[C@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)CC[C@@H]1[NH3+] ZINC000123012637 413010965 /nfs/dbraw/zinc/01/09/65/413010965.db2.gz LTHWFVBLBLUJPT-ONGXEEELSA-N 2 2 273.302 2.664 10 0 CFAELP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c1 ZINC000261551932 292117652 /nfs/dbraw/zinc/11/76/52/292117652.db2.gz YSSQHTVGLLWQTH-OCCSQVGLSA-N 2 2 250.361 2.693 10 0 CFAELP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c1 ZINC000261551932 292117653 /nfs/dbraw/zinc/11/76/53/292117653.db2.gz YSSQHTVGLLWQTH-OCCSQVGLSA-N 2 2 250.361 2.693 10 0 CFAELP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)nc2c1 ZINC000038042458 292393594 /nfs/dbraw/zinc/39/35/94/292393594.db2.gz SKJAAKKWJFGHBX-INIZCTEOSA-N 2 2 284.407 2.760 10 0 CFAELP Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)nc2c1 ZINC000038042458 292393596 /nfs/dbraw/zinc/39/35/96/292393596.db2.gz SKJAAKKWJFGHBX-INIZCTEOSA-N 2 2 284.407 2.760 10 0 CFAELP Cc1ccc2nc([C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)[nH]c2c1 ZINC000038042458 292393598 /nfs/dbraw/zinc/39/35/98/292393598.db2.gz SKJAAKKWJFGHBX-INIZCTEOSA-N 2 2 284.407 2.760 10 0 CFAELP Cc1ccc2nc([C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)[nH]c2c1 ZINC000038042458 292393601 /nfs/dbraw/zinc/39/36/01/292393601.db2.gz SKJAAKKWJFGHBX-INIZCTEOSA-N 2 2 284.407 2.760 10 0 CFAELP COc1cccc([C@H](C[NH3+])[N@H+](C)CCc2ccccc2)c1 ZINC000020225837 171090306 /nfs/dbraw/zinc/09/03/06/171090306.db2.gz VVMZRKJMFDIADK-SFHVURJKSA-N 2 2 284.403 2.870 10 0 CFAELP COc1cccc([C@H](C[NH3+])[N@@H+](C)CCc2ccccc2)c1 ZINC000020225837 171090308 /nfs/dbraw/zinc/09/03/08/171090308.db2.gz VVMZRKJMFDIADK-SFHVURJKSA-N 2 2 284.403 2.870 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000020248450 171101968 /nfs/dbraw/zinc/10/19/68/171101968.db2.gz UBJIPFZWCTVCQI-HNNXBMFYSA-N 2 2 255.365 2.548 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc2ncccc2c1 ZINC000020248450 171101970 /nfs/dbraw/zinc/10/19/70/171101970.db2.gz UBJIPFZWCTVCQI-HNNXBMFYSA-N 2 2 255.365 2.548 10 0 CFAELP CC(C)(C)C1CCC(C[NH3+])([NH+]2CCSCC2)CC1 ZINC000020547061 171244360 /nfs/dbraw/zinc/24/43/60/171244360.db2.gz JJRQTCGLXJEULN-UHFFFAOYSA-N 2 2 270.486 2.969 10 0 CFAELP COc1ccc(OC)c([C@@H](C[NH3+])[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000022168599 171366548 /nfs/dbraw/zinc/36/65/48/171366548.db2.gz KFBZPOPUHBSIAN-XJKCOSOUSA-N 2 2 292.423 2.682 10 0 CFAELP [NH3+]C[C@@H](Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000022173697 171369197 /nfs/dbraw/zinc/36/91/97/171369197.db2.gz WLNFUCDGVOGENR-GOSISDBHSA-N 2 2 266.388 2.615 10 0 CFAELP [NH3+]C[C@@H](Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000022173697 171369198 /nfs/dbraw/zinc/36/91/98/171369198.db2.gz WLNFUCDGVOGENR-GOSISDBHSA-N 2 2 266.388 2.615 10 0 CFAELP [NH3+]C[C@H](Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000022173700 171369457 /nfs/dbraw/zinc/36/94/57/171369457.db2.gz WLNFUCDGVOGENR-SFHVURJKSA-N 2 2 266.388 2.615 10 0 CFAELP [NH3+]C[C@H](Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000022173700 171369458 /nfs/dbraw/zinc/36/94/58/171369458.db2.gz WLNFUCDGVOGENR-SFHVURJKSA-N 2 2 266.388 2.615 10 0 CFAELP C[C@H]([C@H]([NH3+])c1ccccc1)[N@H+](C)Cc1ccccn1 ZINC000036777413 172694155 /nfs/dbraw/zinc/69/41/55/172694155.db2.gz ZBLJBMBWDFBRAC-CJNGLKHVSA-N 2 2 255.365 2.602 10 0 CFAELP C[C@H]([C@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccn1 ZINC000036777413 172694158 /nfs/dbraw/zinc/69/41/58/172694158.db2.gz ZBLJBMBWDFBRAC-CJNGLKHVSA-N 2 2 255.365 2.602 10 0 CFAELP COC(C)(C)C[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037166490 173000770 /nfs/dbraw/zinc/00/07/70/173000770.db2.gz GUBDEVTWSXOJMR-KGLIPLIRSA-N 2 2 258.450 2.756 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1Cc2ccccc2C1 ZINC000037167320 173001910 /nfs/dbraw/zinc/00/19/10/173001910.db2.gz PJSKDJBZUIHUFG-QGZVFWFLSA-N 2 2 260.425 2.720 10 0 CFAELP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000037408387 173185231 /nfs/dbraw/zinc/18/52/31/173185231.db2.gz NJCWGRQVJMZOHF-XEZPLFJOSA-N 2 2 274.408 2.977 10 0 CFAELP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000037408387 173185234 /nfs/dbraw/zinc/18/52/34/173185234.db2.gz NJCWGRQVJMZOHF-XEZPLFJOSA-N 2 2 274.408 2.977 10 0 CFAELP C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000038044502 174052366 /nfs/dbraw/zinc/05/23/66/174052366.db2.gz LVXAUJWWKYGKOS-GJZGRUSLSA-N 2 2 285.391 2.950 10 0 CFAELP c1coc([C@@H](c2ccccc2)[N@H+]2CCC[NH2+]CC2)c1 ZINC000038086955 174097358 /nfs/dbraw/zinc/09/73/58/174097358.db2.gz RAFNFTGDXWUAJS-MRXNPFEDSA-N 2 2 256.349 2.664 10 0 CFAELP c1coc([C@@H](c2ccccc2)[N@@H+]2CCC[NH2+]CC2)c1 ZINC000038086955 174097361 /nfs/dbraw/zinc/09/73/61/174097361.db2.gz RAFNFTGDXWUAJS-MRXNPFEDSA-N 2 2 256.349 2.664 10 0 CFAELP CC(C)Oc1ccc([C@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000038983688 174161397 /nfs/dbraw/zinc/16/13/97/174161397.db2.gz MWRACDNOVDYWLN-INIZCTEOSA-N 2 2 262.397 2.960 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000039789174 174173670 /nfs/dbraw/zinc/17/36/70/174173670.db2.gz TWCHKHWLCCKKNI-DVOMOZLQSA-N 2 2 292.423 2.682 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000039789174 174173672 /nfs/dbraw/zinc/17/36/72/174173672.db2.gz TWCHKHWLCCKKNI-DVOMOZLQSA-N 2 2 292.423 2.682 10 0 CFAELP CCOc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2C)cc1 ZINC000040638757 174362691 /nfs/dbraw/zinc/36/26/91/174362691.db2.gz ZEBQLSWQMYIRLY-CYBMUJFWSA-N 2 2 273.380 2.712 10 0 CFAELP Cc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2C)cc1C ZINC000040638861 174362943 /nfs/dbraw/zinc/36/29/43/174362943.db2.gz MKRHLHXVTIMEJS-CQSZACIVSA-N 2 2 257.381 2.930 10 0 CFAELP CC[C@@H]([NH2+]CCc1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000040638792 174362989 /nfs/dbraw/zinc/36/29/89/174362989.db2.gz PXDYRYBDTRSCRP-OAHLLOKOSA-N 2 2 273.380 2.712 10 0 CFAELP C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1ccc(F)cc1F ZINC000040638785 174363344 /nfs/dbraw/zinc/36/33/44/174363344.db2.gz IRXYYVUTCXKRML-SNVBAGLBSA-N 2 2 265.307 2.592 10 0 CFAELP CC[C@H]([NH2+]CCc1[nH+]ccn1C)c1ccc2c(c1)CCO2 ZINC000040639315 174363493 /nfs/dbraw/zinc/36/34/93/174363493.db2.gz BCTQDIMQNKSIMJ-HNNXBMFYSA-N 2 2 285.391 2.638 10 0 CFAELP CC(C)Oc1cccc([C@H](C[NH3+])[N@H+](C)C(C)C)c1 ZINC000040640905 174364341 /nfs/dbraw/zinc/36/43/41/174364341.db2.gz FIIPUZMQQVZLRM-HNNXBMFYSA-N 2 2 250.386 2.814 10 0 CFAELP CC(C)Oc1cccc([C@H](C[NH3+])[N@@H+](C)C(C)C)c1 ZINC000040640905 174364342 /nfs/dbraw/zinc/36/43/42/174364342.db2.gz FIIPUZMQQVZLRM-HNNXBMFYSA-N 2 2 250.386 2.814 10 0 CFAELP CC(C)(C)C[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671519 174369584 /nfs/dbraw/zinc/36/95/84/174369584.db2.gz OBXUHCOTWYAFGE-INIZCTEOSA-N 2 2 260.425 2.939 10 0 CFAELP CC(C)(C)C[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671519 174369585 /nfs/dbraw/zinc/36/95/85/174369585.db2.gz OBXUHCOTWYAFGE-INIZCTEOSA-N 2 2 260.425 2.939 10 0 CFAELP COCc1cc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)ccc1OC ZINC000040672748 174371297 /nfs/dbraw/zinc/37/12/97/174371297.db2.gz ODAVVODLPKJCBH-CZUORRHYSA-N 2 2 292.423 2.586 10 0 CFAELP COCc1cc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000040672748 174371299 /nfs/dbraw/zinc/37/12/99/174371299.db2.gz ODAVVODLPKJCBH-CZUORRHYSA-N 2 2 292.423 2.586 10 0 CFAELP COc1cccc(C2CC([NH2+][C@@H]3CCC[N@H+](C)C3)C2)c1 ZINC000040672798 174371429 /nfs/dbraw/zinc/37/14/29/174371429.db2.gz WXKDSJHIIWTYOA-HWOWSKLDSA-N 2 2 274.408 2.625 10 0 CFAELP COc1cccc(C2CC([NH2+][C@@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000040672798 174371430 /nfs/dbraw/zinc/37/14/30/174371430.db2.gz WXKDSJHIIWTYOA-HWOWSKLDSA-N 2 2 274.408 2.625 10 0 CFAELP CCOc1ccc([C@H](C[NH3+])[NH+]2CCC(OCC)CC2)cc1 ZINC000040689134 174376089 /nfs/dbraw/zinc/37/60/89/174376089.db2.gz IERXABXLBLKXNJ-KRWDZBQOSA-N 2 2 292.423 2.586 10 0 CFAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccc(OC(F)(F)F)cc2)C1 ZINC000040717599 174385032 /nfs/dbraw/zinc/38/50/32/174385032.db2.gz CCFICXWUNMBJIP-GWCFXTLKSA-N 2 2 288.313 2.927 10 0 CFAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2ccc(OC(F)(F)F)cc2)C1 ZINC000040717599 174385033 /nfs/dbraw/zinc/38/50/33/174385033.db2.gz CCFICXWUNMBJIP-GWCFXTLKSA-N 2 2 288.313 2.927 10 0 CFAELP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc(C(C)C)[nH+]1 ZINC000040746407 174391337 /nfs/dbraw/zinc/39/13/37/174391337.db2.gz HZUCYLYXYMSXBJ-FUNVUKJBSA-N 2 2 260.385 2.603 10 0 CFAELP CC[N@H+](C[C@H]1CCCO1)[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043314858 175004617 /nfs/dbraw/zinc/00/46/17/175004617.db2.gz HTKPLDMCINUVFH-WBVHZDCISA-N 2 2 276.424 2.804 10 0 CFAELP CC[N@@H+](C[C@H]1CCCO1)[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043314858 175004618 /nfs/dbraw/zinc/00/46/18/175004618.db2.gz HTKPLDMCINUVFH-WBVHZDCISA-N 2 2 276.424 2.804 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@H+](C)CCc1ccccn1 ZINC000043334610 175010667 /nfs/dbraw/zinc/01/06/67/175010667.db2.gz MBRBUUMZSYRUQO-GDBMZVCRSA-N 2 2 273.380 2.628 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+](C)CCc1ccccn1 ZINC000043334610 175010668 /nfs/dbraw/zinc/01/06/68/175010668.db2.gz MBRBUUMZSYRUQO-GDBMZVCRSA-N 2 2 273.380 2.628 10 0 CFAELP C[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+](C)CC1CCCCC1 ZINC000043340205 175014267 /nfs/dbraw/zinc/01/42/67/175014267.db2.gz CWLXJCZIGWMJKG-BBRMVZONSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](C)CC1CCCCC1 ZINC000043340205 175014269 /nfs/dbraw/zinc/01/42/69/175014269.db2.gz CWLXJCZIGWMJKG-BBRMVZONSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+](C)CC1CCCCC1 ZINC000043340207 175014413 /nfs/dbraw/zinc/01/44/13/175014413.db2.gz CWLXJCZIGWMJKG-CJNGLKHVSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](C)CC1CCCCC1 ZINC000043340207 175014414 /nfs/dbraw/zinc/01/44/14/175014414.db2.gz CWLXJCZIGWMJKG-CJNGLKHVSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[NH+]1CCC(CC)CC1 ZINC000043347420 175017768 /nfs/dbraw/zinc/01/77/68/175017768.db2.gz ZPXCYLGIQNCIRH-HZPDHXFCSA-N 2 2 261.413 2.982 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@H](c1cccnc1)[C@H](C)[NH3+] ZINC000043348798 175018507 /nfs/dbraw/zinc/01/85/07/175018507.db2.gz HHLDHLZTJOVQNM-ZBEGNZNMSA-N 2 2 266.348 2.676 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348794 175018748 /nfs/dbraw/zinc/01/87/48/175018748.db2.gz HHLDHLZTJOVQNM-BZNIZROVSA-N 2 2 266.348 2.676 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1cccnc1)n1cc[nH+]c1-c1ccccc1 ZINC000043348938 175019238 /nfs/dbraw/zinc/01/92/38/175019238.db2.gz DZYHMCZNORCKKO-CJNGLKHVSA-N 2 2 278.359 2.882 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](C)CCc1ccccn1 ZINC000043363927 175024424 /nfs/dbraw/zinc/02/44/24/175024424.db2.gz RFRYZQXQUNXXLO-NVXWUHKLSA-N 2 2 287.407 2.936 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](C)CCc1ccccn1 ZINC000043363927 175024425 /nfs/dbraw/zinc/02/44/25/175024425.db2.gz RFRYZQXQUNXXLO-NVXWUHKLSA-N 2 2 287.407 2.936 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+]1CCCSCC1 ZINC000043364690 175025303 /nfs/dbraw/zinc/02/53/03/175025303.db2.gz LEOLPEWUXRNKDF-GXTWGEPZSA-N 2 2 268.426 2.805 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+]1CCCSCC1 ZINC000043364690 175025304 /nfs/dbraw/zinc/02/53/04/175025304.db2.gz LEOLPEWUXRNKDF-GXTWGEPZSA-N 2 2 268.426 2.805 10 0 CFAELP CCOC1CC[NH+]([C@@H](c2ccc(C)o2)[C@@H]([NH3+])CC)CC1 ZINC000043364578 175025497 /nfs/dbraw/zinc/02/54/97/175025497.db2.gz BTSUBGBNKLZXIX-GOEBONIOSA-N 2 2 280.412 2.867 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](CCO)C1CCCCC1 ZINC000043365195 175026490 /nfs/dbraw/zinc/02/64/90/175026490.db2.gz WNZGOIUKAVKUSL-WBVHZDCISA-N 2 2 294.439 2.993 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](CCO)C1CCCCC1 ZINC000043365195 175026492 /nfs/dbraw/zinc/02/64/92/175026492.db2.gz WNZGOIUKAVKUSL-WBVHZDCISA-N 2 2 294.439 2.993 10 0 CFAELP CCC(CC)[N@@H+](CCO)[C@H](c1ccc(C)o1)[C@H]([NH3+])CC ZINC000043365187 175026555 /nfs/dbraw/zinc/02/65/55/175026555.db2.gz INDFVPCJTPUFLY-ZBFHGGJFSA-N 2 2 282.428 2.849 10 0 CFAELP CCC(CC)[N@H+](CCO)[C@H](c1ccc(C)o1)[C@H]([NH3+])CC ZINC000043365187 175026557 /nfs/dbraw/zinc/02/65/57/175026557.db2.gz INDFVPCJTPUFLY-ZBFHGGJFSA-N 2 2 282.428 2.849 10 0 CFAELP C[N@H+]([C@H](C[NH3+])c1ccc(Cl)c(F)c1)C1CCOCC1 ZINC000043390362 175033628 /nfs/dbraw/zinc/03/36/28/175033628.db2.gz RBWIVIBWTJUUIO-CQSZACIVSA-N 2 2 286.778 2.590 10 0 CFAELP C[N@@H+]([C@H](C[NH3+])c1ccc(Cl)c(F)c1)C1CCOCC1 ZINC000043390362 175033630 /nfs/dbraw/zinc/03/36/30/175033630.db2.gz RBWIVIBWTJUUIO-CQSZACIVSA-N 2 2 286.778 2.590 10 0 CFAELP C[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390404 175033861 /nfs/dbraw/zinc/03/38/61/175033861.db2.gz RKLHQSJVLZATIT-ZDUSSCGKSA-N 2 2 256.752 2.821 10 0 CFAELP C[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390404 175033863 /nfs/dbraw/zinc/03/38/63/175033863.db2.gz RKLHQSJVLZATIT-ZDUSSCGKSA-N 2 2 256.752 2.821 10 0 CFAELP CC(C)C[N@H+](CCC(N)=[NH2+])Cc1cccc(F)c1F ZINC000043422985 175039312 /nfs/dbraw/zinc/03/93/12/175039312.db2.gz OGMXUPFEVOMUBG-UHFFFAOYSA-N 2 2 269.339 2.749 10 0 CFAELP CC(C)C[N@@H+](CCC(N)=[NH2+])Cc1cccc(F)c1F ZINC000043422985 175039313 /nfs/dbraw/zinc/03/93/13/175039313.db2.gz OGMXUPFEVOMUBG-UHFFFAOYSA-N 2 2 269.339 2.749 10 0 CFAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2sccc2Br)C1 ZINC000043675040 175088419 /nfs/dbraw/zinc/08/84/19/175088419.db2.gz GGMIIHIUBNQXDN-VIFPVBQESA-N 2 2 289.242 2.552 10 0 CFAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2sccc2Br)C1 ZINC000043675040 175088421 /nfs/dbraw/zinc/08/84/21/175088421.db2.gz GGMIIHIUBNQXDN-VIFPVBQESA-N 2 2 289.242 2.552 10 0 CFAELP C[N@@H+]1CC[C@H](C[NH2+]Cc2sccc2Br)C1 ZINC000043675038 175088456 /nfs/dbraw/zinc/08/84/56/175088456.db2.gz GGMIIHIUBNQXDN-SECBINFHSA-N 2 2 289.242 2.552 10 0 CFAELP C[N@H+]1CC[C@H](C[NH2+]Cc2sccc2Br)C1 ZINC000043675038 175088458 /nfs/dbraw/zinc/08/84/58/175088458.db2.gz GGMIIHIUBNQXDN-SECBINFHSA-N 2 2 289.242 2.552 10 0 CFAELP CCC[NH2+][C@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000043807651 175109108 /nfs/dbraw/zinc/10/91/08/175109108.db2.gz MUPCZJNTZRAGCA-MRXNPFEDSA-N 2 2 262.397 2.832 10 0 CFAELP C[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000043811448 175110075 /nfs/dbraw/zinc/11/00/75/175110075.db2.gz VYQRIRUMXGDEST-MELADBBJSA-N 2 2 292.423 2.585 10 0 CFAELP C[NH2+][C@H](C)c1ccc(OC)c(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000043811447 175110462 /nfs/dbraw/zinc/11/04/62/175110462.db2.gz VYQRIRUMXGDEST-HZSPNIEDSA-N 2 2 292.423 2.585 10 0 CFAELP C[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000043811447 175110464 /nfs/dbraw/zinc/11/04/64/175110464.db2.gz VYQRIRUMXGDEST-HZSPNIEDSA-N 2 2 292.423 2.585 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+](C)CCc1ccccn1 ZINC000043818818 175114036 /nfs/dbraw/zinc/11/40/36/175114036.db2.gz BNUWGRSPNMSITL-DLBZAZTESA-N 2 2 275.440 2.867 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818818 175114037 /nfs/dbraw/zinc/11/40/37/175114037.db2.gz BNUWGRSPNMSITL-DLBZAZTESA-N 2 2 275.440 2.867 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@H+](C)CCc1ccccn1 ZINC000043818718 175114077 /nfs/dbraw/zinc/11/40/77/175114077.db2.gz COBCWPMQEUPVMN-DLBZAZTESA-N 2 2 275.440 2.867 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818718 175114079 /nfs/dbraw/zinc/11/40/79/175114079.db2.gz COBCWPMQEUPVMN-DLBZAZTESA-N 2 2 275.440 2.867 10 0 CFAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](C)Cc1cccnc1 ZINC000043893593 175118380 /nfs/dbraw/zinc/11/83/80/175118380.db2.gz KMEQKXFHIOMPNT-BPUTZDHNSA-N 2 2 261.413 2.680 10 0 CFAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)Cc1cccnc1 ZINC000043893593 175118381 /nfs/dbraw/zinc/11/83/81/175118381.db2.gz KMEQKXFHIOMPNT-BPUTZDHNSA-N 2 2 261.413 2.680 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cccnc1 ZINC000043893753 175118585 /nfs/dbraw/zinc/11/85/85/175118585.db2.gz IHBMPNKFHQWTDC-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccnc1 ZINC000043893753 175118586 /nfs/dbraw/zinc/11/85/86/175118586.db2.gz IHBMPNKFHQWTDC-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+](C)Cc1cccnc1 ZINC000043893418 175118871 /nfs/dbraw/zinc/11/88/71/175118871.db2.gz HQYNHOUNOYJZMQ-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+](C)Cc1cccnc1 ZINC000043893418 175118873 /nfs/dbraw/zinc/11/88/73/175118873.db2.gz HQYNHOUNOYJZMQ-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](C)Cc1ccncc1 ZINC000043894038 175119255 /nfs/dbraw/zinc/11/92/55/175119255.db2.gz CGMNUUCBPLRNAF-BPUTZDHNSA-N 2 2 261.413 2.680 10 0 CFAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)Cc1ccncc1 ZINC000043894038 175119256 /nfs/dbraw/zinc/11/92/56/175119256.db2.gz CGMNUUCBPLRNAF-BPUTZDHNSA-N 2 2 261.413 2.680 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@H]1[N@@H+]1CCOC[C@@H]1CC ZINC000043899162 175121962 /nfs/dbraw/zinc/12/19/62/175121962.db2.gz KGUPEMGEFHRLJN-HRCADAONSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@H]1[N@H+]1CCOC[C@@H]1CC ZINC000043899162 175121963 /nfs/dbraw/zinc/12/19/63/175121963.db2.gz KGUPEMGEFHRLJN-HRCADAONSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2OC[C@H]1[N@@H+]1CCC[C@@H]1C ZINC000043903381 175122578 /nfs/dbraw/zinc/12/25/78/175122578.db2.gz GSJGZXMWYVQUEI-JGGQBBKZSA-N 2 2 260.381 2.583 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2OC[C@H]1[N@H+]1CCC[C@@H]1C ZINC000043903381 175122579 /nfs/dbraw/zinc/12/25/79/175122579.db2.gz GSJGZXMWYVQUEI-JGGQBBKZSA-N 2 2 260.381 2.583 10 0 CFAELP CC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1[N@H+](C)CCOC ZINC000043915827 175124863 /nfs/dbraw/zinc/12/48/63/175124863.db2.gz CFRHDCSZNLYCMX-ZNMIVQPWSA-N 2 2 270.461 2.758 10 0 CFAELP CC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1[N@@H+](C)CCOC ZINC000043915827 175124865 /nfs/dbraw/zinc/12/48/65/175124865.db2.gz CFRHDCSZNLYCMX-ZNMIVQPWSA-N 2 2 270.461 2.758 10 0 CFAELP CC[NH2+][C@H](c1ccc(CC)cc1)[C@@H](C)[N@H+](C)CCOC ZINC000043916123 175124921 /nfs/dbraw/zinc/12/49/21/175124921.db2.gz FCGSQVNQQGWMJF-PBHICJAKSA-N 2 2 278.440 2.866 10 0 CFAELP CC[NH2+][C@H](c1ccc(CC)cc1)[C@@H](C)[N@@H+](C)CCOC ZINC000043916123 175124924 /nfs/dbraw/zinc/12/49/24/175124924.db2.gz FCGSQVNQQGWMJF-PBHICJAKSA-N 2 2 278.440 2.866 10 0 CFAELP CC[NH2+][C@@H](c1ccc(CC)cc1)[C@@H](C)[N@H+](C)CCOC ZINC000043916120 175125212 /nfs/dbraw/zinc/12/52/12/175125212.db2.gz FCGSQVNQQGWMJF-RHSMWYFYSA-N 2 2 278.440 2.866 10 0 CFAELP CC[NH2+][C@@H](c1ccc(CC)cc1)[C@@H](C)[N@@H+](C)CCOC ZINC000043916120 175125213 /nfs/dbraw/zinc/12/52/13/175125213.db2.gz FCGSQVNQQGWMJF-RHSMWYFYSA-N 2 2 278.440 2.866 10 0 CFAELP CCC[NH2+][C@H]1c2ccccc2CC[C@H]1[N@H+](C)CCOC ZINC000043916509 175125713 /nfs/dbraw/zinc/12/57/13/175125713.db2.gz GVROXOUFFNWOLQ-SJORKVTESA-N 2 2 276.424 2.620 10 0 CFAELP CCC[NH2+][C@H]1c2ccccc2CC[C@H]1[N@@H+](C)CCOC ZINC000043916509 175125715 /nfs/dbraw/zinc/12/57/15/175125715.db2.gz GVROXOUFFNWOLQ-SJORKVTESA-N 2 2 276.424 2.620 10 0 CFAELP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+]1CCOCC1(C)C ZINC000043965325 175126654 /nfs/dbraw/zinc/12/66/54/175126654.db2.gz TVRIXRKWQZAGKY-KKUMJFAQSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+]1CCOCC1(C)C ZINC000043965325 175126656 /nfs/dbraw/zinc/12/66/56/175126656.db2.gz TVRIXRKWQZAGKY-KKUMJFAQSA-N 2 2 268.445 2.654 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@@H](C)[N@H+](CC)CCOC ZINC000043968606 175129447 /nfs/dbraw/zinc/12/94/47/175129447.db2.gz IUVBAVKZEFGJIW-ZBFHGGJFSA-N 2 2 264.413 2.694 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@@H](C)[N@@H+](CC)CCOC ZINC000043968606 175129448 /nfs/dbraw/zinc/12/94/48/175129448.db2.gz IUVBAVKZEFGJIW-ZBFHGGJFSA-N 2 2 264.413 2.694 10 0 CFAELP CC[NH2+][C@@H](C[N@H+](CC)CCOC)c1cc(C)ccc1C ZINC000043968665 175129936 /nfs/dbraw/zinc/12/99/36/175129936.db2.gz YYCNYWKAWLPROU-KRWDZBQOSA-N 2 2 278.440 2.922 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+](CC)CCOC)c1cc(C)ccc1C ZINC000043968665 175129937 /nfs/dbraw/zinc/12/99/37/175129937.db2.gz YYCNYWKAWLPROU-KRWDZBQOSA-N 2 2 278.440 2.922 10 0 CFAELP CC[NH2+][C@@H](C[N@H+](C)[C@@H](C)COC)c1ccc(C)cc1C ZINC000043969236 175130315 /nfs/dbraw/zinc/13/03/15/175130315.db2.gz WLDGGPXBSPFMBM-RDJZCZTQSA-N 2 2 278.440 2.921 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+](C)[C@@H](C)COC)c1ccc(C)cc1C ZINC000043969236 175130317 /nfs/dbraw/zinc/13/03/17/175130317.db2.gz WLDGGPXBSPFMBM-RDJZCZTQSA-N 2 2 278.440 2.921 10 0 CFAELP C[NH2+][C@@H](C[N@H+](C)[C@@H](C)COC)c1ccc(C)c(C)c1 ZINC000043969122 175130368 /nfs/dbraw/zinc/13/03/68/175130368.db2.gz DCWGCAYTDLKVHI-HOCLYGCPSA-N 2 2 264.413 2.531 10 0 CFAELP C[NH2+][C@@H](C[N@@H+](C)[C@@H](C)COC)c1ccc(C)c(C)c1 ZINC000043969122 175130370 /nfs/dbraw/zinc/13/03/70/175130370.db2.gz DCWGCAYTDLKVHI-HOCLYGCPSA-N 2 2 264.413 2.531 10 0 CFAELP CCC[NH2+][C@@H]1CCC[C@@H]1[N@H+](CC)Cc1ccncc1 ZINC000043968937 175130726 /nfs/dbraw/zinc/13/07/26/175130726.db2.gz MUXCUWRVEQUROY-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+](CC)Cc1ccncc1 ZINC000043968937 175130728 /nfs/dbraw/zinc/13/07/28/175130728.db2.gz MUXCUWRVEQUROY-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)[N@H+](CCOC)C1CC1 ZINC000043969805 175131078 /nfs/dbraw/zinc/13/10/78/175131078.db2.gz VBUPEQVMBKXRCL-IRXDYDNUSA-N 2 2 276.424 2.837 10 0 CFAELP CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)[N@@H+](CCOC)C1CC1 ZINC000043969805 175131079 /nfs/dbraw/zinc/13/10/79/175131079.db2.gz VBUPEQVMBKXRCL-IRXDYDNUSA-N 2 2 276.424 2.837 10 0 CFAELP CC[N@H+](C[C@H]([NH2+]C)c1ccc(C)cc1)[C@@H](C)COC ZINC000043980850 175134215 /nfs/dbraw/zinc/13/42/15/175134215.db2.gz RIFFQWPWDFTABE-HOCLYGCPSA-N 2 2 264.413 2.612 10 0 CFAELP CC[N@@H+](C[C@H]([NH2+]C)c1ccc(C)cc1)[C@@H](C)COC ZINC000043980850 175134216 /nfs/dbraw/zinc/13/42/16/175134216.db2.gz RIFFQWPWDFTABE-HOCLYGCPSA-N 2 2 264.413 2.612 10 0 CFAELP CC[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1n1cc[nH+]c1 ZINC000043992531 175135702 /nfs/dbraw/zinc/13/57/02/175135702.db2.gz LALJLWZBEKQDTD-HOTGVXAUSA-N 2 2 271.364 2.730 10 0 CFAELP CCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000043992685 175135877 /nfs/dbraw/zinc/13/58/77/175135877.db2.gz OPPJKACSIMGTQM-OAHLLOKOSA-N 2 2 259.353 2.633 10 0 CFAELP C[NH2+][C@@H](Cn1cc[nH+]c1C(C)C)c1cccc(OC)c1 ZINC000043997961 175136850 /nfs/dbraw/zinc/13/68/50/175136850.db2.gz ZLNMULUUECINRI-HNNXBMFYSA-N 2 2 273.380 2.976 10 0 CFAELP C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000044560832 175204375 /nfs/dbraw/zinc/20/43/75/175204375.db2.gz PKEJSSUVGUOBTL-SJORKVTESA-N 2 2 258.409 2.618 10 0 CFAELP C[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000044560832 175204376 /nfs/dbraw/zinc/20/43/76/175204376.db2.gz PKEJSSUVGUOBTL-SJORKVTESA-N 2 2 258.409 2.618 10 0 CFAELP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000044561175 175205274 /nfs/dbraw/zinc/20/52/74/175205274.db2.gz PXBRHIHHYKDXIN-HOCLYGCPSA-N 2 2 276.424 2.700 10 0 CFAELP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000044561175 175205275 /nfs/dbraw/zinc/20/52/75/175205275.db2.gz PXBRHIHHYKDXIN-HOCLYGCPSA-N 2 2 276.424 2.700 10 0 CFAELP [NH3+][C@@H](C[NH2+][C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000044675855 175226959 /nfs/dbraw/zinc/22/69/59/175226959.db2.gz BWWLBHLCIQWMFK-IKGGRYGDSA-N 2 2 252.361 2.832 10 0 CFAELP [NH3+][C@@H]1CCCc2cc(OCCCn3cc[nH+]c3)ccc21 ZINC000044732358 175240975 /nfs/dbraw/zinc/24/09/75/175240975.db2.gz JJDDUNBXWMLCJD-MRXNPFEDSA-N 2 2 271.364 2.688 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747538 175243156 /nfs/dbraw/zinc/24/31/56/175243156.db2.gz ZJIKSEABISWKFK-DLBZAZTESA-N 2 2 276.424 2.945 10 0 CFAELP COCC[C@@](C)(C[NH3+])[N@H+](C)Cc1ccc(Cl)cc1 ZINC000045043409 175295401 /nfs/dbraw/zinc/29/54/01/175295401.db2.gz VCKUMICELQEFFH-AWEZNQCLSA-N 2 2 270.804 2.526 10 0 CFAELP COCC[C@@](C)(C[NH3+])[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000045043409 175295402 /nfs/dbraw/zinc/29/54/02/175295402.db2.gz VCKUMICELQEFFH-AWEZNQCLSA-N 2 2 270.804 2.526 10 0 CFAELP CC[NH2+][C@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367794 175362941 /nfs/dbraw/zinc/36/29/41/175362941.db2.gz CFKNGJNJCKWMCD-GOEBONIOSA-N 2 2 284.444 2.572 10 0 CFAELP CC[NH2+][C@](C)(CCCC[N@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367794 175362942 /nfs/dbraw/zinc/36/29/42/175362942.db2.gz CFKNGJNJCKWMCD-GOEBONIOSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[NH2+][C@](C)(CCCC[NH+]1CCCCC1)C(=O)OCC ZINC000045378266 175367616 /nfs/dbraw/zinc/36/76/16/175367616.db2.gz UISKYDCEILHSRZ-QGZVFWFLSA-N 2 2 298.471 2.964 10 0 CFAELP CC[NH2+][C@](C)(CCCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379612 175368575 /nfs/dbraw/zinc/36/85/75/175368575.db2.gz FAJCZFDLBQWQBB-YQQAZPJKSA-N 2 2 298.471 2.961 10 0 CFAELP CC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H](CC)C1)C(=O)OCC ZINC000045393514 175376294 /nfs/dbraw/zinc/37/62/94/175376294.db2.gz TUZQFHLUIWSARJ-WBVHZDCISA-N 2 2 298.471 2.820 10 0 CFAELP CC[NH2+][C@@](C)(CCC[N@H+]1CCC[C@@H](CC)C1)C(=O)OCC ZINC000045393514 175376296 /nfs/dbraw/zinc/37/62/96/175376296.db2.gz TUZQFHLUIWSARJ-WBVHZDCISA-N 2 2 298.471 2.820 10 0 CFAELP CCCOc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1 ZINC000045946364 175387700 /nfs/dbraw/zinc/38/77/00/175387700.db2.gz AWOOFSBKBVKUSS-UHFFFAOYSA-N 2 2 259.353 2.531 10 0 CFAELP CCCOc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1 ZINC000045946364 175387701 /nfs/dbraw/zinc/38/77/01/175387701.db2.gz AWOOFSBKBVKUSS-UHFFFAOYSA-N 2 2 259.353 2.531 10 0 CFAELP COc1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]C(C)C)cc1 ZINC000071137967 176036473 /nfs/dbraw/zinc/03/64/73/176036473.db2.gz SVCWTTKNLOIKQW-HNNXBMFYSA-N 2 2 262.397 2.658 10 0 CFAELP COc1ccc(C[N@H+]2CCC[C@H]2C[NH2+]C(C)C)cc1 ZINC000071137967 176036474 /nfs/dbraw/zinc/03/64/74/176036474.db2.gz SVCWTTKNLOIKQW-HNNXBMFYSA-N 2 2 262.397 2.658 10 0 CFAELP CC(C)COc1ccc([C@@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000071594619 176217684 /nfs/dbraw/zinc/21/76/84/176217684.db2.gz ACPJQCLAMUKITN-MRXNPFEDSA-N 2 2 262.397 2.817 10 0 CFAELP CCc1ccc(OC)c([C@H](C[NH3+])[N@H+](C)C(C)C)c1 ZINC000077432343 177268521 /nfs/dbraw/zinc/26/85/21/177268521.db2.gz HLWVASMBYYOGAO-AWEZNQCLSA-N 2 2 250.386 2.598 10 0 CFAELP CCc1ccc(OC)c([C@H](C[NH3+])[N@@H+](C)C(C)C)c1 ZINC000077432343 177268523 /nfs/dbraw/zinc/26/85/23/177268523.db2.gz HLWVASMBYYOGAO-AWEZNQCLSA-N 2 2 250.386 2.598 10 0 CFAELP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)C[C@@H]21 ZINC000230134095 274957433 /nfs/dbraw/zinc/95/74/33/274957433.db2.gz JNCKOWDVIBAKGR-ADEWGFFLSA-N 2 2 285.313 2.664 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000328319860 276217456 /nfs/dbraw/zinc/21/74/56/276217456.db2.gz DLXRZLKSCQKPBH-DGCLKSJQSA-N 2 2 250.411 2.809 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000328319860 276217457 /nfs/dbraw/zinc/21/74/57/276217457.db2.gz DLXRZLKSCQKPBH-DGCLKSJQSA-N 2 2 250.411 2.809 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2c3ccccc3C[C@H]2C)C1 ZINC000247180342 279323484 /nfs/dbraw/zinc/32/34/84/279323484.db2.gz VCRKHDQLFNCRSY-UKPHBRMFSA-N 2 2 258.409 2.994 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2c3ccccc3C[C@H]2C)C1 ZINC000247180342 279323486 /nfs/dbraw/zinc/32/34/86/279323486.db2.gz VCRKHDQLFNCRSY-UKPHBRMFSA-N 2 2 258.409 2.994 10 0 CFAELP CC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249202447 281052324 /nfs/dbraw/zinc/05/23/24/281052324.db2.gz ADQLDKLIOMNEPR-ZBFHGGJFSA-N 2 2 261.413 2.634 10 0 CFAELP CC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249202447 281052328 /nfs/dbraw/zinc/05/23/28/281052328.db2.gz ADQLDKLIOMNEPR-ZBFHGGJFSA-N 2 2 261.413 2.634 10 0 CFAELP CC[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000249202447 281052331 /nfs/dbraw/zinc/05/23/31/281052331.db2.gz ADQLDKLIOMNEPR-ZBFHGGJFSA-N 2 2 261.413 2.634 10 0 CFAELP CC[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000249202447 281052335 /nfs/dbraw/zinc/05/23/35/281052335.db2.gz ADQLDKLIOMNEPR-ZBFHGGJFSA-N 2 2 261.413 2.634 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000560120165 282016008 /nfs/dbraw/zinc/01/60/08/282016008.db2.gz VOPJZKPGFHPNKZ-CBBWQLFWSA-N 2 2 256.434 2.508 10 0 CFAELP Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000180653249 323787277 /nfs/dbraw/zinc/78/72/77/323787277.db2.gz COQYTWDQUUFHGT-VXGBXAGGSA-N 2 2 297.362 2.976 10 0 CFAELP CCC[C@H](CC)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000181935108 323834599 /nfs/dbraw/zinc/83/45/99/323834599.db2.gz HTSYLZRSWQJRAM-KBPBESRZSA-N 2 2 291.443 2.655 10 0 CFAELP [NH3+]CC[C@@H](Nc1ccc2ccccc2[nH+]1)C(F)F ZINC000383361826 324439347 /nfs/dbraw/zinc/43/93/47/324439347.db2.gz DQFOLMRYABLLRX-LLVKDONJSA-N 2 2 251.280 2.629 10 0 CFAELP CC(C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000053012378 519725131 /nfs/dbraw/zinc/72/51/31/519725131.db2.gz BCLRLKUTANKFJR-CYBMUJFWSA-N 2 2 250.361 2.646 10 0 CFAELP CC(C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000053012378 519725133 /nfs/dbraw/zinc/72/51/33/519725133.db2.gz BCLRLKUTANKFJR-CYBMUJFWSA-N 2 2 250.361 2.646 10 0 CFAELP CC[NH2+]CC1(C[N@@H+]2CCOCC2(C)C)CCCCC1 ZINC000051255812 519913804 /nfs/dbraw/zinc/91/38/04/519913804.db2.gz SJVVFTWNHCDMDV-UHFFFAOYSA-N 2 2 268.445 2.657 10 0 CFAELP CC[NH2+]CC1(C[N@H+]2CCOCC2(C)C)CCCCC1 ZINC000051255812 519913808 /nfs/dbraw/zinc/91/38/08/519913808.db2.gz SJVVFTWNHCDMDV-UHFFFAOYSA-N 2 2 268.445 2.657 10 0 CFAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@H+](C)CCc1ccncc1 ZINC000052483014 519722904 /nfs/dbraw/zinc/72/29/04/519722904.db2.gz OBOIJKCEBOAMIZ-INIZCTEOSA-N 2 2 263.429 2.579 10 0 CFAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@@H+](C)CCc1ccncc1 ZINC000052483014 519722905 /nfs/dbraw/zinc/72/29/05/519722905.db2.gz OBOIJKCEBOAMIZ-INIZCTEOSA-N 2 2 263.429 2.579 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000049198676 519793925 /nfs/dbraw/zinc/79/39/25/519793925.db2.gz KIIYDPKZSNBJQV-IAGOWNOFSA-N 2 2 260.425 2.720 10 0 CFAELP CCC[NH+]1CCC([C@H](C)[NH2+][C@H](C)C[NH+]2CCCC2)CC1 ZINC000049150141 519847754 /nfs/dbraw/zinc/84/77/54/519847754.db2.gz CDZGWLUYLVZUST-CVEARBPZSA-N 3 2 281.488 2.571 10 0 CFAELP CCCC1CC[NH+]([C@@H](c2ccncc2)[C@@H](C)[NH3+])CC1 ZINC000050893106 519902672 /nfs/dbraw/zinc/90/26/72/519902672.db2.gz OANXJELCXHZMPL-CZUORRHYSA-N 2 2 261.413 2.982 10 0 CFAELP CCCC[C@@](CC)(C[NH3+])[NH+]1CCN(c2ccccn2)CC1 ZINC000069379478 521119968 /nfs/dbraw/zinc/11/99/68/521119968.db2.gz LHRZPRCXMFQWTG-KRWDZBQOSA-N 2 2 290.455 2.501 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(OC)cc32)C1 ZINC000245411534 521625257 /nfs/dbraw/zinc/62/52/57/521625257.db2.gz XHMCPQZKKDIJAX-PBHICJAKSA-N 2 2 274.408 2.756 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(OC)cc32)C1 ZINC000245411534 521625262 /nfs/dbraw/zinc/62/52/62/521625262.db2.gz XHMCPQZKKDIJAX-PBHICJAKSA-N 2 2 274.408 2.756 10 0 CFAELP CCC[N@H+](CCOc1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000071331844 521669372 /nfs/dbraw/zinc/66/93/72/521669372.db2.gz RCPAIANFVCHQAW-AWEZNQCLSA-N 2 2 282.815 2.793 10 0 CFAELP CCC[N@@H+](CCOc1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000071331844 521669376 /nfs/dbraw/zinc/66/93/76/521669376.db2.gz RCPAIANFVCHQAW-AWEZNQCLSA-N 2 2 282.815 2.793 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2OC)C1 ZINC000328327853 521715575 /nfs/dbraw/zinc/71/55/75/521715575.db2.gz GRAANRMEQBEIMI-ZIAGYGMSSA-N 2 2 262.397 2.748 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2OC)C1 ZINC000328327853 521715576 /nfs/dbraw/zinc/71/55/76/521715576.db2.gz GRAANRMEQBEIMI-ZIAGYGMSSA-N 2 2 262.397 2.748 10 0 CFAELP C[NH2+]C[C@H](c1ccccc1)[N@H+](C)CCc1ccccn1 ZINC000052423993 522078293 /nfs/dbraw/zinc/07/82/93/522078293.db2.gz KUAULKJHVVQTRA-QGZVFWFLSA-N 2 2 269.392 2.517 10 0 CFAELP C[NH2+]C[C@H](c1ccccc1)[N@@H+](C)CCc1ccccn1 ZINC000052423993 522078301 /nfs/dbraw/zinc/07/83/01/522078301.db2.gz KUAULKJHVVQTRA-QGZVFWFLSA-N 2 2 269.392 2.517 10 0 CFAELP CC[C@H](C[NH2+]C1CC1)[N@H+](C)Cc1ccc(OC)cc1 ZINC000052541563 522191781 /nfs/dbraw/zinc/19/17/81/522191781.db2.gz JPZKVLARRKFODR-OAHLLOKOSA-N 2 2 262.397 2.658 10 0 CFAELP CC[C@H](C[NH2+]C1CC1)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000052541563 522191788 /nfs/dbraw/zinc/19/17/88/522191788.db2.gz JPZKVLARRKFODR-OAHLLOKOSA-N 2 2 262.397 2.658 10 0 CFAELP CCc1[nH+]c2ccccc2n1CCC1CC[NH2+]CC1 ZINC000062807778 522502653 /nfs/dbraw/zinc/50/26/53/522502653.db2.gz TXVHSRXRNBDGDZ-UHFFFAOYSA-N 2 2 257.381 2.988 10 0 CFAELP C[N@H+](Cc1ccccc1)C[C@](C)([NH3+])c1ccccc1 ZINC000052883217 523342764 /nfs/dbraw/zinc/34/27/64/523342764.db2.gz IQNOEDHYRVWGFG-KRWDZBQOSA-N 2 2 254.377 2.993 10 0 CFAELP C[N@@H+](Cc1ccccc1)C[C@](C)([NH3+])c1ccccc1 ZINC000052883217 523342770 /nfs/dbraw/zinc/34/27/70/523342770.db2.gz IQNOEDHYRVWGFG-KRWDZBQOSA-N 2 2 254.377 2.993 10 0 CFAELP C[N@@H+]1CCCC[C@H]1CC[NH2+]Cc1ccc(F)cc1F ZINC000052206333 523799165 /nfs/dbraw/zinc/79/91/65/523799165.db2.gz FUKQKROJLVEECI-AWEZNQCLSA-N 2 2 268.351 2.929 10 0 CFAELP C[N@H+]1CCCC[C@H]1CC[NH2+]Cc1ccc(F)cc1F ZINC000052206333 523799169 /nfs/dbraw/zinc/79/91/69/523799169.db2.gz FUKQKROJLVEECI-AWEZNQCLSA-N 2 2 268.351 2.929 10 0 CFAELP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccccc1OC(F)F ZINC000049553436 524166262 /nfs/dbraw/zinc/16/62/62/524166262.db2.gz YEQNMQCOFYJVCX-LLVKDONJSA-N 2 2 272.339 2.718 10 0 CFAELP C[C@H]1C[N@H+](Cc2c(C[NH3+])sc3cccc(F)c32)CCO1 ZINC000052382446 524606667 /nfs/dbraw/zinc/60/66/67/524606667.db2.gz ZDXRALQQFMLBLQ-JTQLQIEISA-N 2 2 294.395 2.720 10 0 CFAELP C[C@H]1C[N@@H+](Cc2c(C[NH3+])sc3cccc(F)c32)CCO1 ZINC000052382446 524606672 /nfs/dbraw/zinc/60/66/72/524606672.db2.gz ZDXRALQQFMLBLQ-JTQLQIEISA-N 2 2 294.395 2.720 10 0 CFAELP Cc1cc(C[N@@H+]2CCO[C@H](C)C2)oc1C[NH2+]C(C)(C)C ZINC000052382814 524699595 /nfs/dbraw/zinc/69/95/95/524699595.db2.gz OVCDWEZNIOSLLL-CYBMUJFWSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1cc(C[N@H+]2CCO[C@H](C)C2)oc1C[NH2+]C(C)(C)C ZINC000052382814 524699605 /nfs/dbraw/zinc/69/96/05/524699605.db2.gz OVCDWEZNIOSLLL-CYBMUJFWSA-N 2 2 280.412 2.697 10 0 CFAELP C[C@@H]1COCC[N@@H+]1Cc1c(C[NH3+])sc2cccc(F)c21 ZINC000052475867 525127371 /nfs/dbraw/zinc/12/73/71/525127371.db2.gz CTEVWXWKBIQXJP-SNVBAGLBSA-N 2 2 294.395 2.720 10 0 CFAELP C[C@@H]1COCC[N@H+]1Cc1c(C[NH3+])sc2cccc(F)c21 ZINC000052475867 525127376 /nfs/dbraw/zinc/12/73/76/525127376.db2.gz CTEVWXWKBIQXJP-SNVBAGLBSA-N 2 2 294.395 2.720 10 0 CFAELP Cc1ccccc1C[N@@H+](C)[C@]1(C[NH3+])CCCSC1 ZINC000061590113 525131201 /nfs/dbraw/zinc/13/12/01/525131201.db2.gz DWWWMGNQUCEVDG-HNNXBMFYSA-N 2 2 264.438 2.651 10 0 CFAELP Cc1ccccc1C[N@H+](C)[C@]1(C[NH3+])CCCSC1 ZINC000061590113 525131207 /nfs/dbraw/zinc/13/12/07/525131207.db2.gz DWWWMGNQUCEVDG-HNNXBMFYSA-N 2 2 264.438 2.651 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[NH+]2CCC(C)(C)CC2)cc1 ZINC000061818458 525180548 /nfs/dbraw/zinc/18/05/48/525180548.db2.gz RFDDNPWBBDUIHA-OAHLLOKOSA-N 2 2 262.397 2.817 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+](C)[C@@H](C)C(C)C)cc1C ZINC000050596668 525352875 /nfs/dbraw/zinc/35/28/75/525352875.db2.gz UHZHQLNQGVFPGW-ZFWWWQNUSA-N 2 2 264.413 2.980 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)[C@@H](C)C(C)C)cc1C ZINC000050596668 525352886 /nfs/dbraw/zinc/35/28/86/525352886.db2.gz UHZHQLNQGVFPGW-ZFWWWQNUSA-N 2 2 264.413 2.980 10 0 CFAELP Cc1cc([C@@H](C[NH3+])[N@H+](C)CCc2ccncc2)ccc1F ZINC000050546141 525481828 /nfs/dbraw/zinc/48/18/28/525481828.db2.gz KHBVZLZIKXDBPT-QGZVFWFLSA-N 2 2 287.382 2.703 10 0 CFAELP Cc1cc([C@@H](C[NH3+])[N@@H+](C)CCc2ccncc2)ccc1F ZINC000050546141 525481834 /nfs/dbraw/zinc/48/18/34/525481834.db2.gz KHBVZLZIKXDBPT-QGZVFWFLSA-N 2 2 287.382 2.703 10 0 CFAELP Cc1cc([C@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)ccc1F ZINC000050546027 525535976 /nfs/dbraw/zinc/53/59/76/525535976.db2.gz DKEVGMIYBLUWFK-OCCSQVGLSA-N 2 2 268.401 2.571 10 0 CFAELP Cc1cc([C@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)ccc1F ZINC000050546027 525535984 /nfs/dbraw/zinc/53/59/84/525535984.db2.gz DKEVGMIYBLUWFK-OCCSQVGLSA-N 2 2 268.401 2.571 10 0 CFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1[C@H](C)COC[C@H]1C ZINC000192037692 526076545 /nfs/dbraw/zinc/07/65/45/526076545.db2.gz KQERRVWABFLLLL-HUUCEWRRSA-N 2 2 285.391 2.790 10 0 CFAELP c1ccc(C[C@H]2C[N@@H+](C3CCCC3)CCC[NH2+]2)cc1 ZINC000062626792 526477216 /nfs/dbraw/zinc/47/72/16/526477216.db2.gz VSBORERXMNVNSH-INIZCTEOSA-N 2 2 258.409 2.836 10 0 CFAELP c1ccc(C[C@H]2C[N@H+](C3CCCC3)CCC[NH2+]2)cc1 ZINC000062626792 526477221 /nfs/dbraw/zinc/47/72/21/526477221.db2.gz VSBORERXMNVNSH-INIZCTEOSA-N 2 2 258.409 2.836 10 0 CFAELP c1cn(CCC[NH2+]Cc2cc3c(s2)CCC3)c[nH+]1 ZINC000049328081 526530306 /nfs/dbraw/zinc/53/03/06/526530306.db2.gz KYJBJHKCSIEGGP-UHFFFAOYSA-N 2 2 261.394 2.613 10 0 CFAELP c1coc(C[N@@H+]2CCC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000062626276 526565817 /nfs/dbraw/zinc/56/58/17/526565817.db2.gz DNRXPRDDJOTPPE-INIZCTEOSA-N 2 2 256.349 2.816 10 0 CFAELP c1coc(C[N@H+]2CCC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000062626276 526565827 /nfs/dbraw/zinc/56/58/27/526565827.db2.gz DNRXPRDDJOTPPE-INIZCTEOSA-N 2 2 256.349 2.816 10 0 CFAELP Cc1oc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C[NH2+]C(C)C ZINC000052380337 526772556 /nfs/dbraw/zinc/77/25/56/526772556.db2.gz DIKKXIWLTOWKHA-STQMWFEESA-N 2 2 280.412 2.695 10 0 CFAELP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000124947818 527393103 /nfs/dbraw/zinc/39/31/03/527393103.db2.gz WOBHQXNXEGAYOI-CYBMUJFWSA-N 2 2 295.427 2.634 10 0 CFAELP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000124947818 527393114 /nfs/dbraw/zinc/39/31/14/527393114.db2.gz WOBHQXNXEGAYOI-CYBMUJFWSA-N 2 2 295.427 2.634 10 0 CFAELP Nc1ccc(Cn2cc[nH+]c2-c2ccccc2)c[nH+]1 ZINC000050829807 527486709 /nfs/dbraw/zinc/48/67/09/527486709.db2.gz IDYDKQJKIKXVSA-UHFFFAOYSA-N 2 2 250.305 2.576 10 0 CFAELP C[N@@H+]1CCC[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000086817855 536388296 /nfs/dbraw/zinc/38/82/96/536388296.db2.gz NOJGBVCZWFZWFK-HNNXBMFYSA-N 2 2 288.439 2.968 10 0 CFAELP C[N@H+]1CCC[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000086817855 536388300 /nfs/dbraw/zinc/38/83/00/536388300.db2.gz NOJGBVCZWFZWFK-HNNXBMFYSA-N 2 2 288.439 2.968 10 0 CFAELP Cc1nc([C@@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)cs1 ZINC000261915253 619313596 /nfs/dbraw/zinc/31/35/96/619313596.db2.gz ZCPRNAFQIPAPDK-KBPBESRZSA-N 2 2 265.426 2.588 10 0 CFAELP Cc1nc([C@@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)cs1 ZINC000261915253 619313599 /nfs/dbraw/zinc/31/35/99/619313599.db2.gz ZCPRNAFQIPAPDK-KBPBESRZSA-N 2 2 265.426 2.588 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1F ZINC000229208166 623189394 /nfs/dbraw/zinc/18/93/94/623189394.db2.gz YXSWBIRMBLFCSL-IPYPFGDCSA-N 2 2 280.387 2.552 10 0 CFAELP CCc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000133585502 646164939 /nfs/dbraw/zinc/16/49/39/646164939.db2.gz IXVYOHKRGDGMKX-JKIFEVAISA-N 2 2 276.424 2.667 10 0 CFAELP C[NH+](C)Cc1nc(C(C)(C)C)c(C[NH2+]C2CC2)s1 ZINC000082443002 178021940 /nfs/dbraw/zinc/02/19/40/178021940.db2.gz IDCAUDGHHXYFQU-UHFFFAOYSA-N 2 2 267.442 2.754 10 0 CFAELP Cc1cccc2c(N[C@H](C)CN3CC[NH+](C)CC3)cc[nH+]c12 ZINC000125083172 187168678 /nfs/dbraw/zinc/16/86/78/187168678.db2.gz JZLHHLKNYWBFNK-OAHLLOKOSA-N 2 2 298.434 2.591 10 0 CFAELP Cc1coc2c1[C@H](C[NH3+])C[N@H+](Cc1ccccc1)C2 ZINC000096957304 185140574 /nfs/dbraw/zinc/14/05/74/185140574.db2.gz DRQISAOLNMNEEW-CQSZACIVSA-N 2 2 256.349 2.646 10 0 CFAELP Cc1coc2c1[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C2 ZINC000096957304 185140575 /nfs/dbraw/zinc/14/05/75/185140575.db2.gz DRQISAOLNMNEEW-CQSZACIVSA-N 2 2 256.349 2.646 10 0 CFAELP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@H]3C[NH3+])on2)cc1 ZINC000128186771 187356329 /nfs/dbraw/zinc/35/63/29/187356329.db2.gz KPFWCWZPJASESN-AWEZNQCLSA-N 2 2 271.364 2.573 10 0 CFAELP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H]3C[NH3+])on2)cc1 ZINC000128186771 187356331 /nfs/dbraw/zinc/35/63/31/187356331.db2.gz KPFWCWZPJASESN-AWEZNQCLSA-N 2 2 271.364 2.573 10 0 CFAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000151299281 232214705 /nfs/dbraw/zinc/21/47/05/232214705.db2.gz PDMJZZUBSAAYEP-CJNGLKHVSA-N 2 2 296.842 2.837 10 0 CFAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2nc3ccccc3s2)CC1 ZINC000086817322 179345444 /nfs/dbraw/zinc/34/54/44/179345444.db2.gz QATCMDNNMJAJOB-GFCCVEGCSA-N 2 2 275.421 2.870 10 0 CFAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2nc3ccccc3s2)CC1 ZINC000086817322 179345446 /nfs/dbraw/zinc/34/54/46/179345446.db2.gz QATCMDNNMJAJOB-GFCCVEGCSA-N 2 2 275.421 2.870 10 0 CFAELP C[NH+](C)CCOc1ccc([NH2+][C@@H]2CCCOCC2)cc1 ZINC000086873547 179364659 /nfs/dbraw/zinc/36/46/59/179364659.db2.gz VCSMFGAXVWVSPF-CQSZACIVSA-N 2 2 278.396 2.608 10 0 CFAELP CCC[N@@H+]1CCC[C@@]([NH3+])(c2nc(C)c(C)s2)CC1 ZINC000086851314 179359109 /nfs/dbraw/zinc/35/91/09/179359109.db2.gz FAYQVTSBWJOMAO-AWEZNQCLSA-N 2 2 267.442 2.810 10 0 CFAELP CCC[N@H+]1CCC[C@@]([NH3+])(c2nc(C)c(C)s2)CC1 ZINC000086851314 179359110 /nfs/dbraw/zinc/35/91/10/179359110.db2.gz FAYQVTSBWJOMAO-AWEZNQCLSA-N 2 2 267.442 2.810 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228166596 348194030 /nfs/dbraw/zinc/19/40/30/348194030.db2.gz GXFDQPFKBDMPLX-JSGCOSHPSA-N 2 2 255.365 2.717 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228166586 348194042 /nfs/dbraw/zinc/19/40/42/348194042.db2.gz GXFDQPFKBDMPLX-GXTWGEPZSA-N 2 2 255.365 2.717 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1(C)C ZINC000246321303 348262813 /nfs/dbraw/zinc/26/28/13/348262813.db2.gz WZOYLXIJOUMDFT-ZQDZILKHSA-N 2 2 268.445 2.508 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)C1(C)C ZINC000246321303 348262816 /nfs/dbraw/zinc/26/28/16/348262816.db2.gz WZOYLXIJOUMDFT-ZQDZILKHSA-N 2 2 268.445 2.508 10 0 CFAELP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000309731535 348407504 /nfs/dbraw/zinc/40/75/04/348407504.db2.gz PILNQKRHLNLNRZ-HYVNUMGLSA-N 2 2 290.451 2.646 10 0 CFAELP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000309731535 348407506 /nfs/dbraw/zinc/40/75/06/348407506.db2.gz PILNQKRHLNLNRZ-HYVNUMGLSA-N 2 2 290.451 2.646 10 0 CFAELP C[C@@H]1CSC(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)=[NH+]1 ZINC000307163937 348396745 /nfs/dbraw/zinc/39/67/45/348396745.db2.gz JCXDEZZGZOGIMD-VNHYZAJKSA-N 2 2 289.448 2.730 10 0 CFAELP C[C@@H]1CSC(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)=[NH+]1 ZINC000307163937 348396748 /nfs/dbraw/zinc/39/67/48/348396748.db2.gz JCXDEZZGZOGIMD-VNHYZAJKSA-N 2 2 289.448 2.730 10 0 CFAELP c1ccc(-c2n[nH+]c3ccccc3c2N2CC[NH2+]CC2)cc1 ZINC000584601028 348685549 /nfs/dbraw/zinc/68/55/49/348685549.db2.gz FRECNDJYOBURQD-UHFFFAOYSA-N 2 2 290.370 2.706 10 0 CFAELP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000122629517 187042372 /nfs/dbraw/zinc/04/23/72/187042372.db2.gz SRNWGIXIEKERKA-UHFFFAOYSA-N 2 2 287.411 2.574 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccnc2C)C1 ZINC000122942552 187061111 /nfs/dbraw/zinc/06/11/11/187061111.db2.gz CNHKDNGXJZFEKK-MRXNPFEDSA-N 2 2 284.407 2.986 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccnc2C)C1 ZINC000122942552 187061112 /nfs/dbraw/zinc/06/11/12/187061112.db2.gz CNHKDNGXJZFEKK-MRXNPFEDSA-N 2 2 284.407 2.986 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000122951072 187061596 /nfs/dbraw/zinc/06/15/96/187061596.db2.gz WDGQSRSPWAGUNI-HNNXBMFYSA-N 2 2 272.396 2.621 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccn2C)C1 ZINC000122951072 187061597 /nfs/dbraw/zinc/06/15/97/187061597.db2.gz WDGQSRSPWAGUNI-HNNXBMFYSA-N 2 2 272.396 2.621 10 0 CFAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1cc2ccccc2nn1 ZINC000616604528 352382262 /nfs/dbraw/zinc/38/22/62/352382262.db2.gz DZUBNRPBAMSYCD-MRXNPFEDSA-N 2 2 270.380 2.506 10 0 CFAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1cc2ccccc2nn1 ZINC000616604528 352382265 /nfs/dbraw/zinc/38/22/65/352382265.db2.gz DZUBNRPBAMSYCD-MRXNPFEDSA-N 2 2 270.380 2.506 10 0 CFAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1cnnc2ccccc21 ZINC000616625150 352389142 /nfs/dbraw/zinc/38/91/42/352389142.db2.gz WNRTWPZOPWKRPC-MRXNPFEDSA-N 2 2 270.380 2.506 10 0 CFAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1cnnc2ccccc21 ZINC000616625150 352389147 /nfs/dbraw/zinc/38/91/47/352389147.db2.gz WNRTWPZOPWKRPC-MRXNPFEDSA-N 2 2 270.380 2.506 10 0 CFAELP C[C@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@@H]1C[NH3+] ZINC000631838217 355601899 /nfs/dbraw/zinc/60/18/99/355601899.db2.gz KREYVJCYPINUKX-ONGXEEELSA-N 2 2 256.752 2.506 10 0 CFAELP C[C@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@@H]1C[NH3+] ZINC000631838217 355601900 /nfs/dbraw/zinc/60/19/00/355601900.db2.gz KREYVJCYPINUKX-ONGXEEELSA-N 2 2 256.752 2.506 10 0 CFAELP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3nc4cccnc4s3)C2)[nH]1 ZINC000328899618 202104229 /nfs/dbraw/zinc/10/42/29/202104229.db2.gz XNEWCRGDSHCIJP-LLVKDONJSA-N 2 2 299.403 2.794 10 0 CFAELP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3nc4cccnc4s3)C2)[nH]1 ZINC000328899618 202104232 /nfs/dbraw/zinc/10/42/32/202104232.db2.gz XNEWCRGDSHCIJP-LLVKDONJSA-N 2 2 299.403 2.794 10 0 CFAELP CC[C@@H]1C[C@H]([NH2+][C@H](C[NH+](C)C)c2ccccc2)CCO1 ZINC000251692719 540549016 /nfs/dbraw/zinc/54/90/16/540549016.db2.gz PZJPHSDWLBKEIB-BRWVUGGUSA-N 2 2 276.424 2.837 10 0 CFAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1Cl ZINC000177244815 189038840 /nfs/dbraw/zinc/03/88/40/189038840.db2.gz MBJATGVCMCLZJJ-KBPBESRZSA-N 2 2 296.842 2.837 10 0 CFAELP c1cn(CCC[N@@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)c[nH+]1 ZINC000275903962 193159096 /nfs/dbraw/zinc/15/90/96/193159096.db2.gz IQUQDWIBGKQGGX-INIZCTEOSA-N 2 2 299.422 2.712 10 0 CFAELP c1cn(CCC[N@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)c[nH+]1 ZINC000275903962 193159098 /nfs/dbraw/zinc/15/90/98/193159098.db2.gz IQUQDWIBGKQGGX-INIZCTEOSA-N 2 2 299.422 2.712 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CCC[C@H](C[NH3+])C1 ZINC000063106337 373786162 /nfs/dbraw/zinc/78/61/62/373786162.db2.gz LTSYKHVBLLUWJH-CYBMUJFWSA-N 2 2 255.365 2.718 10 0 CFAELP CC[NH2+]CC1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000090804551 375031663 /nfs/dbraw/zinc/03/16/63/375031663.db2.gz KRHAYMIBHAUWDL-UHFFFAOYSA-N 2 2 287.329 2.926 10 0 CFAELP C[NH2+]C[C@@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000090803807 375031695 /nfs/dbraw/zinc/03/16/95/375031695.db2.gz WCOARQBKXVHSEL-JTQLQIEISA-N 2 2 273.302 2.536 10 0 CFAELP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1F ZINC000094952828 375396707 /nfs/dbraw/zinc/39/67/07/375396707.db2.gz HJUGCROTVFJKLN-LBPRGKRZSA-N 2 2 290.386 2.784 10 0 CFAELP Cc1cc(NC[C@@H](C)[N@H+](C)C2CC2)nc(-c2ccncc2)[nH+]1 ZINC000112079982 375883504 /nfs/dbraw/zinc/88/35/04/375883504.db2.gz BSYGISJXMLXCCK-CYBMUJFWSA-N 2 2 297.406 2.742 10 0 CFAELP Cc1cc(NC[C@@H](C)[N@@H+](C)C2CC2)nc(-c2ccncc2)[nH+]1 ZINC000112079982 375883509 /nfs/dbraw/zinc/88/35/09/375883509.db2.gz BSYGISJXMLXCCK-CYBMUJFWSA-N 2 2 297.406 2.742 10 0 CFAELP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000151245612 378310677 /nfs/dbraw/zinc/31/06/77/378310677.db2.gz KQEGVRFREICKFA-ZIAGYGMSSA-N 2 2 282.453 2.554 10 0 CFAELP CCc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)s1 ZINC000151342904 378318950 /nfs/dbraw/zinc/31/89/50/378318950.db2.gz RAHUZOHOXGUNTQ-KBPBESRZSA-N 2 2 296.480 2.808 10 0 CFAELP Cc1c[nH+]c(-c2cccc(-c3cc(N)c(C)c[nH+]3)n2)cc1N ZINC000169458762 379107962 /nfs/dbraw/zinc/10/79/62/379107962.db2.gz KIPBLQQIPHYYCB-UHFFFAOYSA-N 2 2 291.358 2.987 10 0 CFAELP CCCC[C@@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000180573910 380678238 /nfs/dbraw/zinc/67/82/38/380678238.db2.gz HAODTHMEDNVNBP-ZIAGYGMSSA-N 2 2 291.443 2.655 10 0 CFAELP CCC[C@H](C[N@@H+]1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000183400239 381267026 /nfs/dbraw/zinc/26/70/26/381267026.db2.gz QLJONJWTUNOFPD-QZTJIDSGSA-N 2 2 290.451 2.833 10 0 CFAELP CCC[C@H](C[N@H+]1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000183400239 381267032 /nfs/dbraw/zinc/26/70/32/381267032.db2.gz QLJONJWTUNOFPD-QZTJIDSGSA-N 2 2 290.451 2.833 10 0 CFAELP CCC[C@@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1cccnc1 ZINC000185105863 381537916 /nfs/dbraw/zinc/53/79/16/381537916.db2.gz IYAMSZCQEIVINJ-JKSUJKDBSA-N 2 2 261.413 2.997 10 0 CFAELP CCC[C@@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1cccnc1 ZINC000185105863 381537923 /nfs/dbraw/zinc/53/79/23/381537923.db2.gz IYAMSZCQEIVINJ-JKSUJKDBSA-N 2 2 261.413 2.997 10 0 CFAELP CCc1cc(N2CCC(Cc3[nH+]ccn3C)CC2)nc(C)[nH+]1 ZINC000302047619 382204762 /nfs/dbraw/zinc/20/47/62/382204762.db2.gz LSPSIQRFKRYRGS-UHFFFAOYSA-N 2 2 299.422 2.540 10 0 CFAELP COc1cccc2c(NCCc3[nH+]ccn3C)c(C)c[nH+]c12 ZINC000302611333 382277050 /nfs/dbraw/zinc/27/70/50/382277050.db2.gz DYNPKMOQCYOKTG-UHFFFAOYSA-N 2 2 296.374 2.940 10 0 CFAELP Cc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1F ZINC000188407076 382408134 /nfs/dbraw/zinc/40/81/34/382408134.db2.gz AYBNOGYRRMWTCY-OAHLLOKOSA-N 2 2 273.355 2.995 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000389268982 382613644 /nfs/dbraw/zinc/61/36/44/382613644.db2.gz QOXXSVQNMUJLTC-RHSMWYFYSA-N 2 2 274.408 2.756 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000389268982 382613648 /nfs/dbraw/zinc/61/36/48/382613648.db2.gz QOXXSVQNMUJLTC-RHSMWYFYSA-N 2 2 274.408 2.756 10 0 CFAELP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC)C2)C12CCCCC2 ZINC000389318939 382614770 /nfs/dbraw/zinc/61/47/70/382614770.db2.gz HAHGVJNBSUZQIQ-ARFHVFGLSA-N 2 2 280.456 2.798 10 0 CFAELP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC)C2)C12CCCCC2 ZINC000389318939 382614772 /nfs/dbraw/zinc/61/47/72/382614772.db2.gz HAHGVJNBSUZQIQ-ARFHVFGLSA-N 2 2 280.456 2.798 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000389549885 382615618 /nfs/dbraw/zinc/61/56/18/382615618.db2.gz ODWBZZQMDZTVIJ-GUYCJALGSA-N 2 2 258.409 2.920 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000389549885 382615621 /nfs/dbraw/zinc/61/56/21/382615621.db2.gz ODWBZZQMDZTVIJ-GUYCJALGSA-N 2 2 258.409 2.920 10 0 CFAELP [NH3+][C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000211445212 382775210 /nfs/dbraw/zinc/77/52/10/382775210.db2.gz MENLHMNABZXCRV-KRWDZBQOSA-N 2 2 252.361 2.747 10 0 CFAELP [NH3+][C@@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000211445212 382775213 /nfs/dbraw/zinc/77/52/13/382775213.db2.gz MENLHMNABZXCRV-KRWDZBQOSA-N 2 2 252.361 2.747 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000211760065 382775597 /nfs/dbraw/zinc/77/55/97/382775597.db2.gz BBCBBWNYQXYRIJ-HZPDHXFCSA-N 2 2 278.827 2.881 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000211760065 382775600 /nfs/dbraw/zinc/77/56/00/382775600.db2.gz BBCBBWNYQXYRIJ-HZPDHXFCSA-N 2 2 278.827 2.881 10 0 CFAELP CCCn1c(C)c[nH+]c1[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000575316655 382758155 /nfs/dbraw/zinc/75/81/55/382758155.db2.gz UDKBWOXFTJSOFE-MRXNPFEDSA-N 2 2 284.407 2.986 10 0 CFAELP CCCn1c(C)c[nH+]c1[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000575316655 382758156 /nfs/dbraw/zinc/75/81/56/382758156.db2.gz UDKBWOXFTJSOFE-MRXNPFEDSA-N 2 2 284.407 2.986 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](CC)C2)C12CCCC2 ZINC000224457953 382811290 /nfs/dbraw/zinc/81/12/90/382811290.db2.gz VOOVBFUMEHPWAH-OWCLPIDISA-N 2 2 280.456 2.798 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](CC)C2)C12CCCC2 ZINC000224457953 382811291 /nfs/dbraw/zinc/81/12/91/382811291.db2.gz VOOVBFUMEHPWAH-OWCLPIDISA-N 2 2 280.456 2.798 10 0 CFAELP CC(C)c1nc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cs1 ZINC000231461013 382864966 /nfs/dbraw/zinc/86/49/66/382864966.db2.gz VNBCAZWLPVNBGP-ZDUSSCGKSA-N 2 2 267.442 2.840 10 0 CFAELP CC(C)c1nc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cs1 ZINC000231461013 382864969 /nfs/dbraw/zinc/86/49/69/382864969.db2.gz VNBCAZWLPVNBGP-ZDUSSCGKSA-N 2 2 267.442 2.840 10 0 CFAELP c1cc2[nH+]ccc(N3CC[N@@H+]4CCC[C@H]4C3)c2s1 ZINC000246197998 383067293 /nfs/dbraw/zinc/06/72/93/383067293.db2.gz NAJGCQGNXNMLFW-NSHDSACASA-N 2 2 259.378 2.581 10 0 CFAELP c1cc2[nH+]ccc(N3CC[N@H+]4CCC[C@H]4C3)c2s1 ZINC000246197998 383067296 /nfs/dbraw/zinc/06/72/96/383067296.db2.gz NAJGCQGNXNMLFW-NSHDSACASA-N 2 2 259.378 2.581 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@](C)(O)c1ccccc1 ZINC000247105467 383143998 /nfs/dbraw/zinc/14/39/98/383143998.db2.gz QSLCMCPBBYSASY-QZTJIDSGSA-N 2 2 299.418 2.564 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@](C)(O)c1ccccc1 ZINC000247105467 383144001 /nfs/dbraw/zinc/14/40/01/383144001.db2.gz QSLCMCPBBYSASY-QZTJIDSGSA-N 2 2 299.418 2.564 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000249125503 383329365 /nfs/dbraw/zinc/32/93/65/383329365.db2.gz QROXGJNTWPLZAL-UKRRQHHQSA-N 2 2 264.388 2.831 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000249125503 383329370 /nfs/dbraw/zinc/32/93/70/383329370.db2.gz QROXGJNTWPLZAL-UKRRQHHQSA-N 2 2 264.388 2.831 10 0 CFAELP CC[C@@H]1CN(c2[nH+]ccc3ccccc32)CC[C@H]1[NH3+] ZINC000251771022 383395017 /nfs/dbraw/zinc/39/50/17/383395017.db2.gz MMDHELPYFFXEJH-IUODEOHRSA-N 2 2 255.365 2.798 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000250228457 383373924 /nfs/dbraw/zinc/37/39/24/383373924.db2.gz FTKOGTYVNOADOM-IRXDYDNUSA-N 2 2 258.409 2.618 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000250228457 383373926 /nfs/dbraw/zinc/37/39/26/383373926.db2.gz FTKOGTYVNOADOM-IRXDYDNUSA-N 2 2 258.409 2.618 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)Cc2ccccc2OC)C1 ZINC000250249962 383374005 /nfs/dbraw/zinc/37/40/05/383374005.db2.gz IKFLXOLYDPUVEM-ZBFHGGJFSA-N 2 2 276.424 2.700 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)Cc2ccccc2OC)C1 ZINC000250249962 383374006 /nfs/dbraw/zinc/37/40/06/383374006.db2.gz IKFLXOLYDPUVEM-ZBFHGGJFSA-N 2 2 276.424 2.700 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc[nH+]cc1Cl ZINC000253406395 383456382 /nfs/dbraw/zinc/45/63/82/383456382.db2.gz ZSQHRCAGRJWKDK-LBPRGKRZSA-N 2 2 276.771 2.909 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(N)c2)C1 ZINC000261613998 383529210 /nfs/dbraw/zinc/52/92/10/383529210.db2.gz APEJJEBYORUOLS-MRXNPFEDSA-N 2 2 284.407 2.865 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261613998 383529217 /nfs/dbraw/zinc/52/92/17/383529217.db2.gz APEJJEBYORUOLS-MRXNPFEDSA-N 2 2 284.407 2.865 10 0 CFAELP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000532511495 384039429 /nfs/dbraw/zinc/03/94/29/384039429.db2.gz TUAODYNKQOOPCZ-OXGONZEZSA-N 2 2 252.446 2.987 10 0 CFAELP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000532511495 384039436 /nfs/dbraw/zinc/03/94/36/384039436.db2.gz TUAODYNKQOOPCZ-OXGONZEZSA-N 2 2 252.446 2.987 10 0 CFAELP Cc1cc(N2CC[C@@H](CNc3cccc[nH+]3)C2)cc[nH+]1 ZINC000274391363 385785713 /nfs/dbraw/zinc/78/57/13/385785713.db2.gz VQEFAZDPRUWGTK-AWEZNQCLSA-N 2 2 268.364 2.723 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000247043703 285231732 /nfs/dbraw/zinc/23/17/32/285231732.db2.gz MWTHRNZOSWIIEJ-ZBFHGGJFSA-N 2 2 274.408 2.974 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000247043703 285231736 /nfs/dbraw/zinc/23/17/36/285231736.db2.gz MWTHRNZOSWIIEJ-ZBFHGGJFSA-N 2 2 274.408 2.974 10 0 CFAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)ccc1F ZINC000422816302 533341310 /nfs/dbraw/zinc/34/13/10/533341310.db2.gz ZIOCQSYMQPTWQO-MDFVCYEDSA-N 2 2 266.335 2.898 10 0 CFAELP FC(F)(F)c1cc[nH+]c(N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000334997364 393632153 /nfs/dbraw/zinc/63/21/53/393632153.db2.gz YWMIGPRXSINAIW-ZDUSSCGKSA-N 2 2 285.313 2.680 10 0 CFAELP CC(C)[NH2+][C@@H](CCO)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095088327 393811665 /nfs/dbraw/zinc/81/16/65/393811665.db2.gz YEMXGGYLQTUABN-ROUUACIJSA-N 2 2 290.451 2.790 10 0 CFAELP CC(C)[NH2+][C@@H](CCO)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095088327 393811668 /nfs/dbraw/zinc/81/16/68/393811668.db2.gz YEMXGGYLQTUABN-ROUUACIJSA-N 2 2 290.451 2.790 10 0 CFAELP CC[NH+](CC)CCC[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000246217188 393855129 /nfs/dbraw/zinc/85/51/29/393855129.db2.gz POCXUTRAJOKUFM-XHSDSOJGSA-N 2 2 296.455 2.524 10 0 CFAELP CC[NH+](CC)CCC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000246217188 393855131 /nfs/dbraw/zinc/85/51/31/393855131.db2.gz POCXUTRAJOKUFM-XHSDSOJGSA-N 2 2 296.455 2.524 10 0 CFAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000358379663 394106322 /nfs/dbraw/zinc/10/63/22/394106322.db2.gz KPWWVJQOEXTVKA-SNPRPXQTSA-N 2 2 274.408 2.829 10 0 CFAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000358379663 394106326 /nfs/dbraw/zinc/10/63/26/394106326.db2.gz KPWWVJQOEXTVKA-SNPRPXQTSA-N 2 2 274.408 2.829 10 0 CFAELP [NH3+][C@H]1CCCCC[C@@H]1[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000040431815 134859554 /nfs/dbraw/zinc/85/95/54/134859554.db2.gz WLPIJMGAVXYDTJ-IRXDYDNUSA-N 2 2 291.414 2.608 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[N@H+](C)CC(C)(C)C)c1OC ZINC000020226682 171091005 /nfs/dbraw/zinc/09/10/05/171091005.db2.gz LVAKNLADIPOXRM-CYBMUJFWSA-N 2 2 280.412 2.682 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[N@@H+](C)CC(C)(C)C)c1OC ZINC000020226682 171091007 /nfs/dbraw/zinc/09/10/07/171091007.db2.gz LVAKNLADIPOXRM-CYBMUJFWSA-N 2 2 280.412 2.682 10 0 CFAELP CC(C)[N@H+](C)[C@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000022166172 171365674 /nfs/dbraw/zinc/36/56/74/171365674.db2.gz XZFXVHYVKQQCFM-GFCCVEGCSA-N 2 2 276.302 2.925 10 0 CFAELP CC(C)[N@@H+](C)[C@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000022166172 171365676 /nfs/dbraw/zinc/36/56/76/171365676.db2.gz XZFXVHYVKQQCFM-GFCCVEGCSA-N 2 2 276.302 2.925 10 0 CFAELP [NH3+]C[C@@H](Cc1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000022177821 171371428 /nfs/dbraw/zinc/37/14/28/171371428.db2.gz QMYFPADWENGTLP-OAHLLOKOSA-N 2 2 272.417 2.676 10 0 CFAELP [NH3+]C[C@@H](Cc1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000022177821 171371429 /nfs/dbraw/zinc/37/14/29/171371429.db2.gz QMYFPADWENGTLP-OAHLLOKOSA-N 2 2 272.417 2.676 10 0 CFAELP CC(C)[N@H+](C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000022212699 171374401 /nfs/dbraw/zinc/37/44/01/171374401.db2.gz JKONCPWLWJOUMK-GFCCVEGCSA-N 2 2 271.202 2.789 10 0 CFAELP CC(C)[N@@H+](C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000022212699 171374403 /nfs/dbraw/zinc/37/44/03/171374403.db2.gz JKONCPWLWJOUMK-GFCCVEGCSA-N 2 2 271.202 2.789 10 0 CFAELP C[C@H](COCc1ccccc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657378863 413526234 /nfs/dbraw/zinc/52/62/34/413526234.db2.gz MZAKUIRZGYEIMF-CQSZACIVSA-N 2 2 285.391 2.524 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1F ZINC000035503793 172237454 /nfs/dbraw/zinc/23/74/54/172237454.db2.gz JHVNLKAFRKYILV-NSHDSACASA-N 2 2 253.708 2.705 10 0 CFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)Cc1ccc(Cl)cc1 ZINC000035570041 172265330 /nfs/dbraw/zinc/26/53/30/172265330.db2.gz KRDSLFHQGFEFSF-ZDUSSCGKSA-N 2 2 263.772 2.826 10 0 CFAELP C[N@@H+](Cc1ccsc1)C[C@H]([NH3+])Cc1ccccc1 ZINC000035719404 172373903 /nfs/dbraw/zinc/37/39/03/172373903.db2.gz HDQIKUXLASNFRH-OAHLLOKOSA-N 2 2 260.406 2.750 10 0 CFAELP C[N@H+](Cc1ccsc1)C[C@H]([NH3+])Cc1ccccc1 ZINC000035719404 172373905 /nfs/dbraw/zinc/37/39/05/172373905.db2.gz HDQIKUXLASNFRH-OAHLLOKOSA-N 2 2 260.406 2.750 10 0 CFAELP CC[C@H](C)C[N@H+](C)[C@@H](C[NH3+])c1ccccc1OC ZINC000037172615 173006449 /nfs/dbraw/zinc/00/64/49/173006449.db2.gz YIYBVUWECTVVSJ-JSGCOSHPSA-N 2 2 250.386 2.673 10 0 CFAELP CC[C@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1ccccc1OC ZINC000037172615 173006452 /nfs/dbraw/zinc/00/64/52/173006452.db2.gz YIYBVUWECTVVSJ-JSGCOSHPSA-N 2 2 250.386 2.673 10 0 CFAELP C[C@H]1CC(C)(C)C[C@@](C[NH3+])([N@H+](C)[C@@H]2CCSC2)C1 ZINC000037174626 173009504 /nfs/dbraw/zinc/00/95/04/173009504.db2.gz ODUYGCYWMTZBJC-GUTXKFCHSA-N 2 2 270.486 2.967 10 0 CFAELP C[C@H]1CC(C)(C)C[C@@](C[NH3+])([N@@H+](C)[C@@H]2CCSC2)C1 ZINC000037174626 173009507 /nfs/dbraw/zinc/00/95/07/173009507.db2.gz ODUYGCYWMTZBJC-GUTXKFCHSA-N 2 2 270.486 2.967 10 0 CFAELP Cc1ccc2sc([C@H]([NH3+])Cc3c[nH+]c[nH]3)nc2c1 ZINC000037204473 173027023 /nfs/dbraw/zinc/02/70/23/173027023.db2.gz UGSPRJAYMZLOFV-SNVBAGLBSA-N 2 2 258.350 2.570 10 0 CFAELP Cc1ccc2sc([C@H]([NH3+])Cc3c[nH]c[nH+]3)nc2c1 ZINC000037204473 173027025 /nfs/dbraw/zinc/02/70/25/173027025.db2.gz UGSPRJAYMZLOFV-SNVBAGLBSA-N 2 2 258.350 2.570 10 0 CFAELP C[C@@H](C[NH2+][C@@H]1COc2cc(O)ccc21)C[NH+]1CCCCC1 ZINC000038041824 174042801 /nfs/dbraw/zinc/04/28/01/174042801.db2.gz KJZSWZOKJODFCQ-XJKSGUPXSA-N 2 2 290.407 2.537 10 0 CFAELP C[C@@H]([N@@H+]1CCC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC000038087008 174098413 /nfs/dbraw/zinc/09/84/13/174098413.db2.gz ZQIAAQJOHFNLLL-CWJHNBGESA-N 2 2 262.441 2.887 10 0 CFAELP C[C@@H]([N@H+]1CCC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC000038087008 174098414 /nfs/dbraw/zinc/09/84/14/174098414.db2.gz ZQIAAQJOHFNLLL-CWJHNBGESA-N 2 2 262.441 2.887 10 0 CFAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1cc(OC)ccc1OC ZINC000038827638 174157487 /nfs/dbraw/zinc/15/74/87/174157487.db2.gz XFEIAWLUROWROA-HNNXBMFYSA-N 2 2 280.412 2.826 10 0 CFAELP NC(=[NH2+])c1ccccc1Cn1cc[nH+]c1-c1ccccc1 ZINC000040228438 174208465 /nfs/dbraw/zinc/20/84/65/174208465.db2.gz JHQNWESIVPCORC-UHFFFAOYSA-N 2 2 276.343 2.882 10 0 CFAELP Cc1cc(C)c(C[NH3+])c(N(C)Cc2ccsc2)[nH+]1 ZINC000040509424 174303351 /nfs/dbraw/zinc/30/33/51/174303351.db2.gz PVRGVWVYTANANI-UHFFFAOYSA-N 2 2 261.394 2.855 10 0 CFAELP CC(C)[N@@H+]1CC[C@@H](C[NH2+]c2cc3ccccc3c(=O)[nH]2)C1 ZINC000040623741 174355964 /nfs/dbraw/zinc/35/59/64/174355964.db2.gz RVHBRCCPMQXPHD-ZDUSSCGKSA-N 2 2 285.391 2.670 10 0 CFAELP CC(C)[N@H+]1CC[C@@H](C[NH2+]c2cc3ccccc3c(=O)[nH]2)C1 ZINC000040623741 174355965 /nfs/dbraw/zinc/35/59/65/174355965.db2.gz RVHBRCCPMQXPHD-ZDUSSCGKSA-N 2 2 285.391 2.670 10 0 CFAELP C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1cc(F)ccc1F ZINC000040638804 174362696 /nfs/dbraw/zinc/36/26/96/174362696.db2.gz IKMPHLBEISXBSG-SNVBAGLBSA-N 2 2 265.307 2.592 10 0 CFAELP Cc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2C)cc1C ZINC000040638862 174362722 /nfs/dbraw/zinc/36/27/22/174362722.db2.gz MKRHLHXVTIMEJS-AWEZNQCLSA-N 2 2 257.381 2.930 10 0 CFAELP CC(C)[C@@H]([NH2+]CCc1[nH+]ccn1C)c1ccccc1 ZINC000040639327 174363498 /nfs/dbraw/zinc/36/34/98/174363498.db2.gz MLZNHHMZRDFBOO-MRXNPFEDSA-N 2 2 257.381 2.950 10 0 CFAELP Cn1cc[nH+]c1CCNc1ccc2ccccc2[nH+]1 ZINC000040639666 174363576 /nfs/dbraw/zinc/36/35/76/174363576.db2.gz DBBZMGHQPRJORT-UHFFFAOYSA-N 2 2 252.321 2.623 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000040639198 174363893 /nfs/dbraw/zinc/36/38/93/174363893.db2.gz WHXGUUPOGURUNB-RBSFLKMASA-N 2 2 261.413 2.911 10 0 CFAELP [NH3+]C[C@@H]1CCCCC[C@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693655 174377378 /nfs/dbraw/zinc/37/73/78/174377378.db2.gz URIYLZHXMIWLOY-FUHWJXTLSA-N 3 2 293.499 2.844 10 0 CFAELP CC[N@H+](Cc1nc2ccccc2o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748167 174393441 /nfs/dbraw/zinc/39/34/41/174393441.db2.gz DNARKEQDNVTZRY-PBWFPOADSA-N 2 2 285.391 2.933 10 0 CFAELP CC[N@@H+](Cc1nc2ccccc2o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748167 174393442 /nfs/dbraw/zinc/39/34/42/174393442.db2.gz DNARKEQDNVTZRY-PBWFPOADSA-N 2 2 285.391 2.933 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@H+](C)CCc1ccncc1 ZINC000043335419 175011204 /nfs/dbraw/zinc/01/12/04/175011204.db2.gz NUZHKNQPOBTYOD-GOEBONIOSA-N 2 2 273.380 2.628 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@@H+](C)CCc1ccncc1 ZINC000043335419 175011206 /nfs/dbraw/zinc/01/12/06/175011206.db2.gz NUZHKNQPOBTYOD-GOEBONIOSA-N 2 2 273.380 2.628 10 0 CFAELP CCC(CC)[N@H+](CCOC)[C@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336228 175011822 /nfs/dbraw/zinc/01/18/22/175011822.db2.gz PIGFGEXZKFGNGM-DOMZBBRYSA-N 2 2 268.401 2.805 10 0 CFAELP CCC(CC)[N@@H+](CCOC)[C@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336228 175011824 /nfs/dbraw/zinc/01/18/24/175011824.db2.gz PIGFGEXZKFGNGM-DOMZBBRYSA-N 2 2 268.401 2.805 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+](C)C1CCC(C)CC1 ZINC000043340093 175014759 /nfs/dbraw/zinc/01/47/59/175014759.db2.gz OJCAQDANEZWTAO-MFQJDOPTSA-N 2 2 261.413 2.980 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](C)C1CCC(C)CC1 ZINC000043340093 175014761 /nfs/dbraw/zinc/01/47/61/175014761.db2.gz OJCAQDANEZWTAO-MFQJDOPTSA-N 2 2 261.413 2.980 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+](C)CC1CCCCC1 ZINC000043340211 175014815 /nfs/dbraw/zinc/01/48/15/175014815.db2.gz CWLXJCZIGWMJKG-CZUORRHYSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+](C)CC1CCCCC1 ZINC000043340211 175014816 /nfs/dbraw/zinc/01/48/16/175014816.db2.gz CWLXJCZIGWMJKG-CZUORRHYSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)CC1CCCCC1 ZINC000043347690 175018224 /nfs/dbraw/zinc/01/82/24/175018224.db2.gz LVZXWSARYADATE-XJKSGUPXSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)CC1CCCCC1 ZINC000043347690 175018226 /nfs/dbraw/zinc/01/82/26/175018226.db2.gz LVZXWSARYADATE-XJKSGUPXSA-N 2 2 261.413 2.982 10 0 CFAELP Cc1cc(C)cc([C@H](C[NH3+])[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000043394456 175034793 /nfs/dbraw/zinc/03/47/93/175034793.db2.gz XJTVJIBZSJQYTN-SFHVURJKSA-N 3 2 289.467 2.577 10 0 CFAELP CC[N@H+]([C@H](C)COC)[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394525 175035151 /nfs/dbraw/zinc/03/51/51/175035151.db2.gz ADOBISUDUBEPQR-ZBFHGGJFSA-N 2 2 264.413 2.660 10 0 CFAELP CC[N@@H+]([C@H](C)COC)[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394525 175035153 /nfs/dbraw/zinc/03/51/53/175035153.db2.gz ADOBISUDUBEPQR-ZBFHGGJFSA-N 2 2 264.413 2.660 10 0 CFAELP COc1ccccc1C[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000043498936 175058089 /nfs/dbraw/zinc/05/80/89/175058089.db2.gz XBFXJIXEJHNYTJ-HNNXBMFYSA-N 2 2 262.397 2.659 10 0 CFAELP COc1ccccc1C[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000043498936 175058090 /nfs/dbraw/zinc/05/80/90/175058090.db2.gz XBFXJIXEJHNYTJ-HNNXBMFYSA-N 2 2 262.397 2.659 10 0 CFAELP C[C@@H](C[C@@H](C[NH3+])[NH+]1CCSCC1)c1ccccc1 ZINC000043534636 175062766 /nfs/dbraw/zinc/06/27/66/175062766.db2.gz XLZGFQJYVRSZNX-ZFWWWQNUSA-N 2 2 264.438 2.556 10 0 CFAELP C[C@H](C[C@H](C[NH3+])[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000043534835 175062774 /nfs/dbraw/zinc/06/27/74/175062774.db2.gz ZZQINAKZTXCEOK-GDBMZVCRSA-N 2 2 276.424 2.618 10 0 CFAELP C[C@H](C[C@H](C[NH3+])[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000043534835 175062775 /nfs/dbraw/zinc/06/27/75/175062775.db2.gz ZZQINAKZTXCEOK-GDBMZVCRSA-N 2 2 276.424 2.618 10 0 CFAELP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811604 175110773 /nfs/dbraw/zinc/11/07/73/175110773.db2.gz NBRSXYLPXUTFTC-OWYFMNJBSA-N 2 2 268.445 2.652 10 0 CFAELP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811604 175110774 /nfs/dbraw/zinc/11/07/74/175110774.db2.gz NBRSXYLPXUTFTC-OWYFMNJBSA-N 2 2 268.445 2.652 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000043818936 175114090 /nfs/dbraw/zinc/11/40/90/175114090.db2.gz MLORALCXXLEBFF-SJORKVTESA-N 2 2 275.440 2.867 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818936 175114092 /nfs/dbraw/zinc/11/40/92/175114092.db2.gz MLORALCXXLEBFF-SJORKVTESA-N 2 2 275.440 2.867 10 0 CFAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)Cc1cccnc1 ZINC000043893596 175118690 /nfs/dbraw/zinc/11/86/90/175118690.db2.gz KMEQKXFHIOMPNT-KBMXLJTQSA-N 2 2 261.413 2.680 10 0 CFAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)Cc1cccnc1 ZINC000043893596 175118691 /nfs/dbraw/zinc/11/86/91/175118691.db2.gz KMEQKXFHIOMPNT-KBMXLJTQSA-N 2 2 261.413 2.680 10 0 CFAELP CC[C@@H]1C[N@H+](Cc2cc([C@@H](C)[NH2+]C)ccc2OC)CCO1 ZINC000043892980 175118816 /nfs/dbraw/zinc/11/88/16/175118816.db2.gz GNZGOSASMIGBCN-CZUORRHYSA-N 2 2 292.423 2.586 10 0 CFAELP CC[C@@H]1C[N@@H+](Cc2cc([C@@H](C)[NH2+]C)ccc2OC)CCO1 ZINC000043892980 175118818 /nfs/dbraw/zinc/11/88/18/175118818.db2.gz GNZGOSASMIGBCN-CZUORRHYSA-N 2 2 292.423 2.586 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+](C)Cc1ccccn1 ZINC000043894451 175119123 /nfs/dbraw/zinc/11/91/23/175119123.db2.gz PQVKLDSDBYXFPW-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+](C)Cc1ccccn1 ZINC000043894451 175119124 /nfs/dbraw/zinc/11/91/24/175119124.db2.gz PQVKLDSDBYXFPW-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccncc1 ZINC000043894206 175119138 /nfs/dbraw/zinc/11/91/38/175119138.db2.gz IXLXNEDNFOXDEH-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccncc1 ZINC000043894206 175119139 /nfs/dbraw/zinc/11/91/39/175119139.db2.gz IXLXNEDNFOXDEH-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897999 175120435 /nfs/dbraw/zinc/12/04/35/175120435.db2.gz YIIYVNMJZLJTKL-HUUCEWRRSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897999 175120437 /nfs/dbraw/zinc/12/04/37/175120437.db2.gz YIIYVNMJZLJTKL-HUUCEWRRSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2CCC[C@H]1[N@H+](C)CCOC ZINC000043915691 175125083 /nfs/dbraw/zinc/12/50/83/175125083.db2.gz WALHODJYFYRJCQ-IAGOWNOFSA-N 2 2 276.424 2.620 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2CCC[C@H]1[N@@H+](C)CCOC ZINC000043915691 175125084 /nfs/dbraw/zinc/12/50/84/175125084.db2.gz WALHODJYFYRJCQ-IAGOWNOFSA-N 2 2 276.424 2.620 10 0 CFAELP CC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1[N@H+](C)CCOC ZINC000043915833 175125277 /nfs/dbraw/zinc/12/52/77/175125277.db2.gz CFRHDCSZNLYCMX-KFWWJZLASA-N 2 2 270.461 2.758 10 0 CFAELP CC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1[N@@H+](C)CCOC ZINC000043915833 175125280 /nfs/dbraw/zinc/12/52/80/175125280.db2.gz CFRHDCSZNLYCMX-KFWWJZLASA-N 2 2 270.461 2.758 10 0 CFAELP C[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1[N@@H+]1CCOCC1(C)C ZINC000043916680 175125806 /nfs/dbraw/zinc/12/58/06/175125806.db2.gz ZZUIZAMSLBCQGH-ILXRZTDVSA-N 2 2 282.472 2.900 10 0 CFAELP C[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1[N@H+]1CCOCC1(C)C ZINC000043916680 175125808 /nfs/dbraw/zinc/12/58/08/175125808.db2.gz ZZUIZAMSLBCQGH-ILXRZTDVSA-N 2 2 282.472 2.900 10 0 CFAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043965885 175127127 /nfs/dbraw/zinc/12/71/27/175127127.db2.gz YRUTXVPMMCZHLT-BHYGNILZSA-N 2 2 276.424 2.755 10 0 CFAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043965885 175127128 /nfs/dbraw/zinc/12/71/28/175127128.db2.gz YRUTXVPMMCZHLT-BHYGNILZSA-N 2 2 276.424 2.755 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966563 175127781 /nfs/dbraw/zinc/12/77/81/175127781.db2.gz LXMJXGJWXILGJN-JYJNAYRXSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966563 175127782 /nfs/dbraw/zinc/12/77/82/175127782.db2.gz LXMJXGJWXILGJN-JYJNAYRXSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2CC[C@H]1[N@H+](C)[C@@H](C)COC ZINC000043969339 175130246 /nfs/dbraw/zinc/13/02/46/175130246.db2.gz CQUGCJJOEYZNPX-XKQJLSEDSA-N 2 2 276.424 2.619 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2CC[C@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969339 175130247 /nfs/dbraw/zinc/13/02/47/175130247.db2.gz CQUGCJJOEYZNPX-XKQJLSEDSA-N 2 2 276.424 2.619 10 0 CFAELP C[NH2+][C@@H](C[N@H+](C)[C@@H](C)COC)C12CC3CC(CC(C3)C1)C2 ZINC000043969077 175130776 /nfs/dbraw/zinc/13/07/76/175130776.db2.gz DYFSQZVOLASZOP-OKUQKKEKSA-N 2 2 294.483 2.758 10 0 CFAELP C[NH2+][C@@H](C[N@@H+](C)[C@@H](C)COC)C12CC3CC(CC(C3)C1)C2 ZINC000043969077 175130778 /nfs/dbraw/zinc/13/07/78/175130778.db2.gz DYFSQZVOLASZOP-OKUQKKEKSA-N 2 2 294.483 2.758 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@H+](CCOC)C1CC1 ZINC000043969990 175130993 /nfs/dbraw/zinc/13/09/93/175130993.db2.gz PAIGRVLHFQYNTP-HUUCEWRRSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@@H+](CCOC)C1CC1 ZINC000043969990 175130994 /nfs/dbraw/zinc/13/09/94/175130994.db2.gz PAIGRVLHFQYNTP-HUUCEWRRSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043970088 175131306 /nfs/dbraw/zinc/13/13/06/175131306.db2.gz SDKBGGSLWRLXHJ-BMFZPTHFSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043970088 175131307 /nfs/dbraw/zinc/13/13/07/175131307.db2.gz SDKBGGSLWRLXHJ-BMFZPTHFSA-N 2 2 268.445 2.654 10 0 CFAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)[N@H+](CCOC)C1CC1 ZINC000043969733 175131309 /nfs/dbraw/zinc/13/13/09/175131309.db2.gz QZNXXXVMFZUTOR-WMLDXEAASA-N 2 2 276.424 2.755 10 0 CFAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)[N@@H+](CCOC)C1CC1 ZINC000043969733 175131310 /nfs/dbraw/zinc/13/13/10/175131310.db2.gz QZNXXXVMFZUTOR-WMLDXEAASA-N 2 2 276.424 2.755 10 0 CFAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)[C@@H](C)C(C)(C)C)OCCO2 ZINC000043979264 175133272 /nfs/dbraw/zinc/13/32/72/175133272.db2.gz IRTYKNPXRPAQGU-RRFJBIMHSA-N 2 2 298.471 2.627 10 0 CFAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)[C@@H](C)C(C)(C)C)OCCO2 ZINC000043979264 175133273 /nfs/dbraw/zinc/13/32/73/175133273.db2.gz IRTYKNPXRPAQGU-RRFJBIMHSA-N 2 2 298.471 2.627 10 0 CFAELP CC[NH2+][C@H](Cn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000043992503 175136049 /nfs/dbraw/zinc/13/60/49/175136049.db2.gz FOCPSYIUMRDZET-CYBMUJFWSA-N 2 2 255.321 2.980 10 0 CFAELP C[NH2+][C@H](Cn1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000043993212 175136437 /nfs/dbraw/zinc/13/64/37/175136437.db2.gz RNPUOWHQBAHDRR-IBHBGHMQSA-N 2 2 259.397 2.688 10 0 CFAELP CC(C)[C@H]([C@@H](O)c1ccccc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC000044121156 175142911 /nfs/dbraw/zinc/14/29/11/175142911.db2.gz YGXZPORSFDTYNV-MSOLQXFVSA-N 2 2 290.451 2.771 10 0 CFAELP CC(C)[C@H]([C@@H](O)c1ccccc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000044121156 175142913 /nfs/dbraw/zinc/14/29/13/175142913.db2.gz YGXZPORSFDTYNV-MSOLQXFVSA-N 2 2 290.451 2.771 10 0 CFAELP C[N@@H+]1CCCC[C@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000044561220 175204646 /nfs/dbraw/zinc/20/46/46/175204646.db2.gz PIBMPCHTRAKDSO-IKXAHOJESA-N 2 2 262.441 2.885 10 0 CFAELP C[N@H+]1CCCC[C@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000044561220 175204647 /nfs/dbraw/zinc/20/46/47/175204647.db2.gz PIBMPCHTRAKDSO-IKXAHOJESA-N 2 2 262.441 2.885 10 0 CFAELP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000044561177 175205117 /nfs/dbraw/zinc/20/51/17/175205117.db2.gz PXBRHIHHYKDXIN-GOEBONIOSA-N 2 2 276.424 2.700 10 0 CFAELP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000044561177 175205119 /nfs/dbraw/zinc/20/51/19/175205119.db2.gz PXBRHIHHYKDXIN-GOEBONIOSA-N 2 2 276.424 2.700 10 0 CFAELP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000044561176 175205266 /nfs/dbraw/zinc/20/52/66/175205266.db2.gz PXBRHIHHYKDXIN-ZBFHGGJFSA-N 2 2 276.424 2.700 10 0 CFAELP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000044561176 175205267 /nfs/dbraw/zinc/20/52/67/175205267.db2.gz PXBRHIHHYKDXIN-ZBFHGGJFSA-N 2 2 276.424 2.700 10 0 CFAELP c1ccc([C@@H]2C[C@@H]2[NH2+]C[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000044675952 175227202 /nfs/dbraw/zinc/22/72/02/175227202.db2.gz VFSXISXPPHCWIC-FHWLQOOXSA-N 2 2 278.399 2.847 10 0 CFAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747523 175242916 /nfs/dbraw/zinc/24/29/16/175242916.db2.gz ZLBLBYBYMAQOKA-CXAGYDPISA-N 2 2 274.408 2.844 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747537 175243088 /nfs/dbraw/zinc/24/30/88/175243088.db2.gz ZJIKSEABISWKFK-SJORKVTESA-N 2 2 276.424 2.945 10 0 CFAELP COCC[C@](C)(C[NH3+])[N@H+](C)Cc1ccc(Cl)s1 ZINC000045043503 175295373 /nfs/dbraw/zinc/29/53/73/175295373.db2.gz WXACLBABTGCMPQ-GFCCVEGCSA-N 2 2 276.833 2.587 10 0 CFAELP COCC[C@](C)(C[NH3+])[N@@H+](C)Cc1ccc(Cl)s1 ZINC000045043503 175295374 /nfs/dbraw/zinc/29/53/74/175295374.db2.gz WXACLBABTGCMPQ-GFCCVEGCSA-N 2 2 276.833 2.587 10 0 CFAELP CCCC[N@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045368290 175363247 /nfs/dbraw/zinc/36/32/47/175363247.db2.gz MSHWHQHLFICCHN-QGZVFWFLSA-N 2 2 298.471 2.962 10 0 CFAELP CCCC[N@@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045368290 175363248 /nfs/dbraw/zinc/36/32/48/175363248.db2.gz MSHWHQHLFICCHN-QGZVFWFLSA-N 2 2 298.471 2.962 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[NH+]1CCC(C)CC1)[NH2+]C(C)C ZINC000045375013 175365587 /nfs/dbraw/zinc/36/55/87/175365587.db2.gz FHOMMHNFMHFMDA-QGZVFWFLSA-N 2 2 298.471 2.818 10 0 CFAELP COC(=O)[C@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)[NH2+]C(C)C ZINC000045376094 175366647 /nfs/dbraw/zinc/36/66/47/175366647.db2.gz LIVKNKPLRROBFV-RDJZCZTQSA-N 2 2 298.471 2.961 10 0 CFAELP COC(=O)[C@](C)(CCCC[N@H+]1CCCC[C@@H]1C)[NH2+]C(C)C ZINC000045376094 175366648 /nfs/dbraw/zinc/36/66/48/175366648.db2.gz LIVKNKPLRROBFV-RDJZCZTQSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@H+](CC)C(C)C)[NH2+]C1CC1 ZINC000045383902 175371004 /nfs/dbraw/zinc/37/10/04/175371004.db2.gz HYEVVMYHPHSPJY-INIZCTEOSA-N 2 2 284.444 2.571 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@@H+](CC)C(C)C)[NH2+]C1CC1 ZINC000045383902 175371005 /nfs/dbraw/zinc/37/10/05/175371005.db2.gz HYEVVMYHPHSPJY-INIZCTEOSA-N 2 2 284.444 2.571 10 0 CFAELP CCCOc1ccc([C@H]([C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000071594587 176217516 /nfs/dbraw/zinc/21/75/16/176217516.db2.gz UIJGWVAYOJLJNL-JKSUJKDBSA-N 2 2 262.397 2.830 10 0 CFAELP CCCOc1ccc([C@@H]([C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000071594603 176217540 /nfs/dbraw/zinc/21/75/40/176217540.db2.gz RUHSYNBCOXEDAT-XJKSGUPXSA-N 2 2 262.397 2.960 10 0 CFAELP CCCOc1ccc([C@@H]([C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000071594585 176217756 /nfs/dbraw/zinc/21/77/56/176217756.db2.gz UIJGWVAYOJLJNL-HOTGVXAUSA-N 2 2 262.397 2.830 10 0 CFAELP CC(C)c1nccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000072143703 176324253 /nfs/dbraw/zinc/32/42/53/176324253.db2.gz NIBRSPFIZKADBJ-OAHLLOKOSA-N 2 2 276.428 2.516 10 0 CFAELP CC(C)c1nccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000072143703 176324255 /nfs/dbraw/zinc/32/42/55/176324255.db2.gz NIBRSPFIZKADBJ-OAHLLOKOSA-N 2 2 276.428 2.516 10 0 CFAELP CC[N@H+](C)[C@H](C[NH3+])c1ccc(OC)c(C(C)C)c1 ZINC000077432335 177268425 /nfs/dbraw/zinc/26/84/25/177268425.db2.gz VJKUBKQEEXNPTJ-CQSZACIVSA-N 2 2 250.386 2.770 10 0 CFAELP CC[N@@H+](C)[C@H](C[NH3+])c1ccc(OC)c(C(C)C)c1 ZINC000077432335 177268430 /nfs/dbraw/zinc/26/84/30/177268430.db2.gz VJKUBKQEEXNPTJ-CQSZACIVSA-N 2 2 250.386 2.770 10 0 CFAELP [NH3+][C@@H]1CCC[C@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)C[C@H]21 ZINC000228551116 274958241 /nfs/dbraw/zinc/95/82/41/274958241.db2.gz JNCKOWDVIBAKGR-MVWJERBFSA-N 2 2 285.313 2.664 10 0 CFAELP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396644056 281197131 /nfs/dbraw/zinc/19/71/31/281197131.db2.gz QDMUMRKVKBLYDY-GUTXKFCHSA-N 2 2 262.397 2.795 10 0 CFAELP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)C1 ZINC000049197553 519852254 /nfs/dbraw/zinc/85/22/54/519852254.db2.gz MLKPILNWUXIUJS-ZACQAIPSSA-N 3 2 283.504 2.673 10 0 CFAELP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)C1 ZINC000049197553 519852255 /nfs/dbraw/zinc/85/22/55/519852255.db2.gz MLKPILNWUXIUJS-ZACQAIPSSA-N 3 2 283.504 2.673 10 0 CFAELP CCCCC[N@H+](C)Cc1csc(C[NH2+]CC)n1 ZINC000052454522 520153448 /nfs/dbraw/zinc/15/34/48/520153448.db2.gz ZPKFQTMNSOQYAR-UHFFFAOYSA-N 2 2 255.431 2.875 10 0 CFAELP CCCCC[N@@H+](C)Cc1csc(C[NH2+]CC)n1 ZINC000052454522 520153455 /nfs/dbraw/zinc/15/34/55/520153455.db2.gz ZPKFQTMNSOQYAR-UHFFFAOYSA-N 2 2 255.431 2.875 10 0 CFAELP CCCOc1cccc([C@@H](C[NH3+])[N@@H+]2CCC[C@@H]2C)c1 ZINC000052921059 520464084 /nfs/dbraw/zinc/46/40/84/520464084.db2.gz MAYDLPHGMHFBHG-XJKSGUPXSA-N 2 2 262.397 2.960 10 0 CFAELP CCCOc1cccc([C@@H](C[NH3+])[N@H+]2CCC[C@@H]2C)c1 ZINC000052921059 520464088 /nfs/dbraw/zinc/46/40/88/520464088.db2.gz MAYDLPHGMHFBHG-XJKSGUPXSA-N 2 2 262.397 2.960 10 0 CFAELP CC[N@H+](CC1CC1)[C@@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000069237002 520966606 /nfs/dbraw/zinc/96/66/06/520966606.db2.gz VEKHANRCKTXOAQ-MLGOLLRUSA-N 2 2 262.397 2.815 10 0 CFAELP CC[N@@H+](CC1CC1)[C@@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000069237002 520966618 /nfs/dbraw/zinc/96/66/18/520966618.db2.gz VEKHANRCKTXOAQ-MLGOLLRUSA-N 2 2 262.397 2.815 10 0 CFAELP CCC[N@H+]([C@H](C[NH3+])c1ccc(OC)c(C)c1)C1CC1 ZINC000050596564 521697247 /nfs/dbraw/zinc/69/72/47/521697247.db2.gz XXDGMMDDNMGQAN-OAHLLOKOSA-N 2 2 262.397 2.878 10 0 CFAELP CCC[N@@H+]([C@H](C[NH3+])c1ccc(OC)c(C)c1)C1CC1 ZINC000050596564 521697250 /nfs/dbraw/zinc/69/72/50/521697250.db2.gz XXDGMMDDNMGQAN-OAHLLOKOSA-N 2 2 262.397 2.878 10 0 CFAELP CC(C)[N@H+](CCC(N)=[NH2+])Cc1ccc(F)cc1F ZINC000050884957 519641327 /nfs/dbraw/zinc/64/13/27/519641327.db2.gz XIPHFSXLVIUDTA-UHFFFAOYSA-N 2 2 255.312 2.501 10 0 CFAELP CC(C)[N@@H+](CCC(N)=[NH2+])Cc1ccc(F)cc1F ZINC000050884957 519641329 /nfs/dbraw/zinc/64/13/29/519641329.db2.gz XIPHFSXLVIUDTA-UHFFFAOYSA-N 2 2 255.312 2.501 10 0 CFAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@H+](C)Cc1cccs1 ZINC000052456024 519794890 /nfs/dbraw/zinc/79/48/90/519794890.db2.gz FPTCTRANPYXLBW-CQSZACIVSA-N 2 2 252.427 2.957 10 0 CFAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@@H+](C)Cc1cccs1 ZINC000052456024 519794891 /nfs/dbraw/zinc/79/48/91/519794891.db2.gz FPTCTRANPYXLBW-CQSZACIVSA-N 2 2 252.427 2.957 10 0 CFAELP CC(C)c1ccc(Cn2cc[nH+]c2C[C@H](C)[NH3+])cc1 ZINC000062802882 519836589 /nfs/dbraw/zinc/83/65/89/519836589.db2.gz TYHMCQJADQJULK-ZDUSSCGKSA-N 2 2 257.381 2.945 10 0 CFAELP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)CC1 ZINC000049150137 519847778 /nfs/dbraw/zinc/84/77/78/519847778.db2.gz CDZGWLUYLVZUST-HOTGVXAUSA-N 3 2 281.488 2.571 10 0 CFAELP CCCC1CC[NH+]([C@H](c2cccnc2)[C@@H](C)[NH3+])CC1 ZINC000050893097 519903589 /nfs/dbraw/zinc/90/35/89/519903589.db2.gz RHWUTLQVOFVCHO-CJNGLKHVSA-N 2 2 261.413 2.982 10 0 CFAELP CCC[NH2+][C@@H](CC[C@@H]1CCCCO1)Cc1[nH]cc[nH+]1 ZINC000069392520 520005869 /nfs/dbraw/zinc/00/58/69/520005869.db2.gz AQFDNWPKBSQDJV-KBPBESRZSA-N 2 2 265.401 2.670 10 0 CFAELP CC[NH2+]Cc1ccoc1C[NH+]1Cc2ccccc2C1 ZINC000052374318 520012679 /nfs/dbraw/zinc/01/26/79/520012679.db2.gz NDEORCIGAYEADC-UHFFFAOYSA-N 2 2 256.349 2.905 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@@H]1[NH+]1CCC(CCC)CC1 ZINC000050893680 520095610 /nfs/dbraw/zinc/09/56/10/520095610.db2.gz HSEYAUGHVVAUNY-HOTGVXAUSA-N 2 2 268.445 2.656 10 0 CFAELP CCO[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccccc2CC)C1 ZINC000052203811 520527184 /nfs/dbraw/zinc/52/71/84/520527184.db2.gz UNNOVLWWBBQRCV-RDJZCZTQSA-N 2 2 276.424 2.750 10 0 CFAELP CCO[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccccc2CC)C1 ZINC000052203811 520527194 /nfs/dbraw/zinc/52/71/94/520527194.db2.gz UNNOVLWWBBQRCV-RDJZCZTQSA-N 2 2 276.424 2.750 10 0 CFAELP CC[NH+](CC)[C@@H](C[NH2+]CCn1cccn1)c1ccccc1 ZINC000049314202 520838220 /nfs/dbraw/zinc/83/82/20/520838220.db2.gz QAGHKIIVZQQLCU-KRWDZBQOSA-N 2 2 286.423 2.556 10 0 CFAELP CC[NH+](CC)[C@H](C[NH2+]CCn1cccn1)c1ccccc1 ZINC000049314205 520866339 /nfs/dbraw/zinc/86/63/39/520866339.db2.gz QAGHKIIVZQQLCU-QGZVFWFLSA-N 2 2 286.423 2.556 10 0 CFAELP CC[N@H+](CC[NH2+]C(C)C)Cc1ccc(OC)cc1 ZINC000068681634 521076560 /nfs/dbraw/zinc/07/65/60/521076560.db2.gz JNDQYWTYISSUNK-UHFFFAOYSA-N 2 2 250.386 2.515 10 0 CFAELP CC[N@@H+](CC[NH2+]C(C)C)Cc1ccc(OC)cc1 ZINC000068681634 521076564 /nfs/dbraw/zinc/07/65/64/521076564.db2.gz JNDQYWTYISSUNK-UHFFFAOYSA-N 2 2 250.386 2.515 10 0 CFAELP CCCC[C@@](CC)(C[NH3+])[N@H+](C)CC1CCOCC1 ZINC000069381249 521120593 /nfs/dbraw/zinc/12/05/93/521120593.db2.gz OKQDYCYXBRXFBV-HNNXBMFYSA-N 2 2 256.434 2.643 10 0 CFAELP CCCC[C@@](CC)(C[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000069381249 521120600 /nfs/dbraw/zinc/12/06/00/521120600.db2.gz OKQDYCYXBRXFBV-HNNXBMFYSA-N 2 2 256.434 2.643 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000069429931 521308520 /nfs/dbraw/zinc/30/85/20/521308520.db2.gz SBCXSEPFFNFUSW-GFCCVEGCSA-N 2 2 264.369 2.536 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000069429931 521308525 /nfs/dbraw/zinc/30/85/25/521308525.db2.gz SBCXSEPFFNFUSW-GFCCVEGCSA-N 2 2 264.369 2.536 10 0 CFAELP CCC(CC)(C[NH3+])[N@H+](C)Cc1cc(C)ccc1OC ZINC000050702887 521426397 /nfs/dbraw/zinc/42/63/97/521426397.db2.gz FMNUBWSVYWHZFR-UHFFFAOYSA-N 2 2 264.413 2.953 10 0 CFAELP CCC(CC)(C[NH3+])[N@@H+](C)Cc1cc(C)ccc1OC ZINC000050702887 521426404 /nfs/dbraw/zinc/42/64/04/521426404.db2.gz FMNUBWSVYWHZFR-UHFFFAOYSA-N 2 2 264.413 2.953 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@H+](C)CCc1ccccn1 ZINC000052203405 521951974 /nfs/dbraw/zinc/95/19/74/521951974.db2.gz DKRYTHSZRYOUDH-SFHVURJKSA-N 2 2 283.419 2.818 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@@H+](C)CCc1ccccn1 ZINC000052203405 521951982 /nfs/dbraw/zinc/95/19/82/521951982.db2.gz DKRYTHSZRYOUDH-SFHVURJKSA-N 2 2 283.419 2.818 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@H+](CCOC)CC(C)C ZINC000052203793 521952832 /nfs/dbraw/zinc/95/28/32/521952832.db2.gz XHEREUHOEIGZIG-KRWDZBQOSA-N 2 2 278.440 2.853 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@@H+](CCOC)CC(C)C ZINC000052203793 521952838 /nfs/dbraw/zinc/95/28/38/521952838.db2.gz XHEREUHOEIGZIG-KRWDZBQOSA-N 2 2 278.440 2.853 10 0 CFAELP C[NH+](C)c1ccc(-n2c[nH+]c3cc(N)ccc32)cc1 ZINC000052852999 522127697 /nfs/dbraw/zinc/12/76/97/522127697.db2.gz YGZGEASAJAGBTD-UHFFFAOYSA-N 2 2 252.321 2.674 10 0 CFAELP CCc1[nH+]ccn1Cc1cc2ccccc2[nH+]c1N ZINC000050830060 522586188 /nfs/dbraw/zinc/58/61/88/522586188.db2.gz QQJFJHUEEJSYFX-UHFFFAOYSA-N 2 2 252.321 2.624 10 0 CFAELP C[N@H+](Cc1csc(C[NH2+]C(C)(C)C)n1)[C@@H]1CCSC1 ZINC000052453005 523530282 /nfs/dbraw/zinc/53/02/82/523530282.db2.gz VZXFORGJTKAQLR-GFCCVEGCSA-N 2 2 299.509 2.969 10 0 CFAELP C[N@@H+](Cc1csc(C[NH2+]C(C)(C)C)n1)[C@@H]1CCSC1 ZINC000052453005 523530293 /nfs/dbraw/zinc/53/02/93/523530293.db2.gz VZXFORGJTKAQLR-GFCCVEGCSA-N 2 2 299.509 2.969 10 0 CFAELP CC[C@@](C)(C[NH3+])[N@H+](C)Cc1cc(C)ccc1OC ZINC000050702866 523639381 /nfs/dbraw/zinc/63/93/81/523639381.db2.gz PQJRMQAYWJGIBM-HNNXBMFYSA-N 2 2 250.386 2.563 10 0 CFAELP CC[C@@](C)(C[NH3+])[N@@H+](C)Cc1cc(C)ccc1OC ZINC000050702866 523639386 /nfs/dbraw/zinc/63/93/86/523639386.db2.gz PQJRMQAYWJGIBM-HNNXBMFYSA-N 2 2 250.386 2.563 10 0 CFAELP COCC[N@H+](CC(C)C)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546433 523682165 /nfs/dbraw/zinc/68/21/65/523682165.db2.gz YSOPZAGZRDYGBZ-INIZCTEOSA-N 2 2 282.403 2.738 10 0 CFAELP COCC[N@@H+](CC(C)C)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546433 523682168 /nfs/dbraw/zinc/68/21/68/523682168.db2.gz YSOPZAGZRDYGBZ-INIZCTEOSA-N 2 2 282.403 2.738 10 0 CFAELP COc1ccc(C[C@H](C)[NH2+][C@H](C[NH+](C)C)C(C)C)cc1 ZINC000049197660 524155242 /nfs/dbraw/zinc/15/52/42/524155242.db2.gz VVHCAMGQBGALJE-WMLDXEAASA-N 2 2 278.440 2.802 10 0 CFAELP C[C@@H](CC[NH+](C)C)[NH2+]Cc1nc2ccccc2s1 ZINC000049557045 524475895 /nfs/dbraw/zinc/47/58/95/524475895.db2.gz QWFWYXXZYFMWIF-NSHDSACASA-N 2 2 263.410 2.726 10 0 CFAELP COc1ccccc1C[C@H](C)[NH2+][C@H](C[NH+](C)C)C(C)C ZINC000049198602 524510619 /nfs/dbraw/zinc/51/06/19/524510619.db2.gz BFZBDGSSQRHXLK-GOEBONIOSA-N 2 2 278.440 2.802 10 0 CFAELP C[C@H](Cc1ccco1)[NH2+]C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000049147247 524746735 /nfs/dbraw/zinc/74/67/35/524746735.db2.gz USQMLNUIEXQNOX-CZUORRHYSA-N 2 2 270.376 2.515 10 0 CFAELP C[C@@H](Cn1cc[nH+]c1)Nc1ccc(N)c2c[nH+]ccc12 ZINC000049234768 524964410 /nfs/dbraw/zinc/96/44/10/524964410.db2.gz ZCJRWMLESCDCRV-NSHDSACASA-N 2 2 267.336 2.514 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+](C)C2CCCC2)cc1C ZINC000050596551 525351815 /nfs/dbraw/zinc/35/18/15/525351815.db2.gz UVBYWIMPACQOMS-HNNXBMFYSA-N 2 2 262.397 2.878 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)C2CCCC2)cc1C ZINC000050596551 525351823 /nfs/dbraw/zinc/35/18/23/525351823.db2.gz UVBYWIMPACQOMS-HNNXBMFYSA-N 2 2 262.397 2.878 10 0 CFAELP COc1ccc([C@H](C[NH3+])[NH+]2CCC(C)(C)CC2)cc1 ZINC000061818457 525351875 /nfs/dbraw/zinc/35/18/75/525351875.db2.gz RFDDNPWBBDUIHA-HNNXBMFYSA-N 2 2 262.397 2.817 10 0 CFAELP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)c(C)c1 ZINC000070143661 525930112 /nfs/dbraw/zinc/93/01/12/525930112.db2.gz RMLAMTULBRMHNV-AWEZNQCLSA-N 2 2 286.423 2.954 10 0 CFAELP Cc1ccc2c(c1)[nH+]c(CC[C@H]1CCCC[NH2+]1)n2C ZINC000050926807 526219172 /nfs/dbraw/zinc/21/91/72/526219172.db2.gz WGBYNZIOBZKEDA-CYBMUJFWSA-N 2 2 257.381 2.956 10 0 CFAELP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])Cc2ccccc2)s1 ZINC000049534991 526746237 /nfs/dbraw/zinc/74/62/37/526746237.db2.gz FGUQJZNPQIJPGH-IAQYHMDHSA-N 2 2 289.448 2.981 10 0 CFAELP Clc1ccccc1C[N@@H+]1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053011272 526988799 /nfs/dbraw/zinc/98/87/99/526988799.db2.gz LRLVDBRPGQRGHK-GFCCVEGCSA-N 2 2 264.800 2.914 10 0 CFAELP Clc1ccccc1C[N@H+]1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053011272 526988806 /nfs/dbraw/zinc/98/88/06/526988806.db2.gz LRLVDBRPGQRGHK-GFCCVEGCSA-N 2 2 264.800 2.914 10 0 CFAELP Cn1c(CCC2CC[NH2+]CC2)[nH+]c2cc(F)ccc21 ZINC000050926839 527047307 /nfs/dbraw/zinc/04/73/07/527047307.db2.gz HOGCYPYVAVRZKD-UHFFFAOYSA-N 2 2 261.344 2.645 10 0 CFAELP Cc1[nH+]c2cc(N)ccc2n1-c1ccc([NH+](C)C)cc1 ZINC000052853001 527122470 /nfs/dbraw/zinc/12/24/70/527122470.db2.gz MRWUPWVLBWHKNM-UHFFFAOYSA-N 2 2 266.348 2.982 10 0 CFAELP [NH3+]Cc1cc(N2CCC[C@H]2c2ccccc2)cc[nH+]1 ZINC000061811581 527249161 /nfs/dbraw/zinc/24/91/61/527249161.db2.gz NYIVYSNWMOXYQN-INIZCTEOSA-N 2 2 253.349 2.882 10 0 CFAELP [NH3+]Cc1ccc(C[NH+]2Cc3ccccc3C2)c(F)c1 ZINC000050910514 527253170 /nfs/dbraw/zinc/25/31/70/527253170.db2.gz PAONELYKVFMBJO-UHFFFAOYSA-N 2 2 256.324 2.800 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000414347964 527888192 /nfs/dbraw/zinc/88/81/92/527888192.db2.gz RMLDJNXPFHNJHS-YPMHNXCESA-N 2 2 260.372 2.884 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000414347964 527888197 /nfs/dbraw/zinc/88/81/97/527888197.db2.gz RMLDJNXPFHNJHS-YPMHNXCESA-N 2 2 260.372 2.884 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCc1cccs1 ZINC000178303633 618746964 /nfs/dbraw/zinc/74/69/64/618746964.db2.gz RQPDLLXRZZKEBZ-AWEZNQCLSA-N 2 2 275.421 2.960 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCc1cccs1 ZINC000178303633 618746966 /nfs/dbraw/zinc/74/69/66/618746966.db2.gz RQPDLLXRZZKEBZ-AWEZNQCLSA-N 2 2 275.421 2.960 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1F ZINC000229208150 623189148 /nfs/dbraw/zinc/18/91/48/623189148.db2.gz YXSWBIRMBLFCSL-YDHLFZDLSA-N 2 2 280.387 2.552 10 0 CFAELP CCc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000252955843 625223822 /nfs/dbraw/zinc/22/38/22/625223822.db2.gz IXVYOHKRGDGMKX-ZQIUZPCESA-N 2 2 276.424 2.667 10 0 CFAELP OC1(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCCCC1 ZINC000195519390 650756352 /nfs/dbraw/zinc/75/63/52/650756352.db2.gz BMJORPORPZNJCM-OAHLLOKOSA-N 2 2 289.423 2.511 10 0 CFAELP OC1(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCCCC1 ZINC000195519390 650756353 /nfs/dbraw/zinc/75/63/53/650756353.db2.gz BMJORPORPZNJCM-OAHLLOKOSA-N 2 2 289.423 2.511 10 0 CFAELP CCc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000133585080 646165042 /nfs/dbraw/zinc/16/50/42/646165042.db2.gz IXVYOHKRGDGMKX-GRDNDAEWSA-N 2 2 276.424 2.667 10 0 CFAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000133621382 646196222 /nfs/dbraw/zinc/19/62/22/646196222.db2.gz CQYYKUHKWIMHEK-VWYCJHECSA-N 2 2 288.844 2.819 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094342753 347695565 /nfs/dbraw/zinc/69/55/65/347695565.db2.gz BYJHUMFAGODQQU-TZMCWYRMSA-N 2 2 255.365 2.717 10 0 CFAELP COC[C@@H](Cc1ccccc1)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000120344164 347806581 /nfs/dbraw/zinc/80/65/81/347806581.db2.gz QIIAMWONCVTNFT-QZTJIDSGSA-N 2 2 292.467 2.810 10 0 CFAELP [NH3+]C[C@@H](Cc1ccccc1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000584620887 348692816 /nfs/dbraw/zinc/69/28/16/348692816.db2.gz MWKBWVZZJINWNB-CQSZACIVSA-N 2 2 286.341 2.831 10 0 CFAELP C[C@@H]([N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC000588687703 348791822 /nfs/dbraw/zinc/79/18/22/348791822.db2.gz OBALMXMVJISLFA-WBVHZDCISA-N 2 2 292.467 2.846 10 0 CFAELP C[C@@H]([N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC000588687703 348791823 /nfs/dbraw/zinc/79/18/23/348791823.db2.gz OBALMXMVJISLFA-WBVHZDCISA-N 2 2 292.467 2.846 10 0 CFAELP C[C@@H]([NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000588687703 348791826 /nfs/dbraw/zinc/79/18/26/348791826.db2.gz OBALMXMVJISLFA-WBVHZDCISA-N 2 2 292.467 2.846 10 0 CFAELP C[C@@H]([NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000588687703 348791828 /nfs/dbraw/zinc/79/18/28/348791828.db2.gz OBALMXMVJISLFA-WBVHZDCISA-N 2 2 292.467 2.846 10 0 CFAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)n1-c1ccccc1 ZINC000092128843 539672980 /nfs/dbraw/zinc/67/29/80/539672980.db2.gz BFCKNCZWUFPHSJ-RHSMWYFYSA-N 2 2 285.391 2.574 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCCCOC)C1 ZINC000105922481 186091187 /nfs/dbraw/zinc/09/11/87/186091187.db2.gz HRBYGUTZALMZIM-HNNXBMFYSA-N 2 2 279.428 2.899 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCCCOC)C1 ZINC000105922481 186091189 /nfs/dbraw/zinc/09/11/89/186091189.db2.gz HRBYGUTZALMZIM-HNNXBMFYSA-N 2 2 279.428 2.899 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(C)on2)C1 ZINC000105896750 186085860 /nfs/dbraw/zinc/08/58/60/186085860.db2.gz KRKIECXULAQIGE-AWEZNQCLSA-N 2 2 274.368 2.579 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(C)on2)C1 ZINC000105896750 186085861 /nfs/dbraw/zinc/08/58/61/186085861.db2.gz KRKIECXULAQIGE-AWEZNQCLSA-N 2 2 274.368 2.579 10 0 CFAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cc3ccccc3cn2)CC1 ZINC000616600854 352380348 /nfs/dbraw/zinc/38/03/48/352380348.db2.gz IKXJRLVTTIXNDJ-CQSZACIVSA-N 2 2 269.392 2.763 10 0 CFAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cc3ccccc3cn2)CC1 ZINC000616600854 352380350 /nfs/dbraw/zinc/38/03/50/352380350.db2.gz IKXJRLVTTIXNDJ-CQSZACIVSA-N 2 2 269.392 2.763 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2ccccc2Cl)C1 ZINC000616604295 352382217 /nfs/dbraw/zinc/38/22/17/352382217.db2.gz CMXRYZXWTOGQJF-GFCCVEGCSA-N 2 2 252.789 2.868 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2ccccc2Cl)C1 ZINC000616604295 352382218 /nfs/dbraw/zinc/38/22/18/352382218.db2.gz CMXRYZXWTOGQJF-GFCCVEGCSA-N 2 2 252.789 2.868 10 0 CFAELP Nc1cc([C@H]2CCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000616618867 352386398 /nfs/dbraw/zinc/38/63/98/352386398.db2.gz QORTZTKQRFLWLB-INIZCTEOSA-N 2 2 267.376 2.874 10 0 CFAELP Nc1cc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000616618867 352386399 /nfs/dbraw/zinc/38/63/99/352386399.db2.gz QORTZTKQRFLWLB-INIZCTEOSA-N 2 2 267.376 2.874 10 0 CFAELP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)C[C@@H]1C[NH3+] ZINC000631838908 355601909 /nfs/dbraw/zinc/60/19/09/355601909.db2.gz WVHQXOVCAOEVHM-KOLCDFICSA-N 2 2 256.752 2.506 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2F)C[C@@H]1C[NH3+] ZINC000631838908 355601911 /nfs/dbraw/zinc/60/19/11/355601911.db2.gz WVHQXOVCAOEVHM-KOLCDFICSA-N 2 2 256.752 2.506 10 0 CFAELP C[C@@H]1C[N@H+](Cc2csc(Br)c2)C[C@@H]1C[NH3+] ZINC000631841874 355603583 /nfs/dbraw/zinc/60/35/83/355603583.db2.gz RDPVVZMLJMHEPN-SCZZXKLOSA-N 2 2 289.242 2.537 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2csc(Br)c2)C[C@@H]1C[NH3+] ZINC000631841874 355603586 /nfs/dbraw/zinc/60/35/86/355603586.db2.gz RDPVVZMLJMHEPN-SCZZXKLOSA-N 2 2 289.242 2.537 10 0 CFAELP c1c[nH+]c(C2CC[NH+](Cc3nc4cccnc4s3)CC2)[nH]1 ZINC000328872880 202091781 /nfs/dbraw/zinc/09/17/81/202091781.db2.gz IWNNCEFJDZPXDT-UHFFFAOYSA-N 2 2 299.403 2.794 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000178289851 189103072 /nfs/dbraw/zinc/10/30/72/189103072.db2.gz BENQWLGQRVBKBO-HNNXBMFYSA-N 2 2 273.355 2.995 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccccc1F ZINC000178289851 189103073 /nfs/dbraw/zinc/10/30/73/189103073.db2.gz BENQWLGQRVBKBO-HNNXBMFYSA-N 2 2 273.355 2.995 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000180124140 189237842 /nfs/dbraw/zinc/23/78/42/189237842.db2.gz KEXUYWVZCYRVJU-HNNXBMFYSA-N 2 2 299.374 2.585 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc2c1OCO2 ZINC000180124140 189237843 /nfs/dbraw/zinc/23/78/43/189237843.db2.gz KEXUYWVZCYRVJU-HNNXBMFYSA-N 2 2 299.374 2.585 10 0 CFAELP CC[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)C ZINC000180574687 189262799 /nfs/dbraw/zinc/26/27/99/189262799.db2.gz WJNFBMZHFALNQI-UONOGXRCSA-N 2 2 291.443 2.511 10 0 CFAELP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000311021929 541026708 /nfs/dbraw/zinc/02/67/08/541026708.db2.gz RBWGJQSHGSMCPT-MNOVXSKESA-N 2 2 290.860 2.753 10 0 CFAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000311021929 541026710 /nfs/dbraw/zinc/02/67/10/541026710.db2.gz RBWGJQSHGSMCPT-MNOVXSKESA-N 2 2 290.860 2.753 10 0 CFAELP Cc1cc[nH+]c(N[C@H](C)[C@H]2CCC[NH2+]C2)c1Br ZINC000235290133 189826613 /nfs/dbraw/zinc/82/66/13/189826613.db2.gz HLXVVBXNQGYZDS-MNOVXSKESA-N 2 2 298.228 2.953 10 0 CFAELP CCCOc1cccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000052921807 373458495 /nfs/dbraw/zinc/45/84/95/373458495.db2.gz YDHMABXHGSHZMM-HNNXBMFYSA-N 2 2 262.397 2.789 10 0 CFAELP CCCOc1cccc(C[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000052921807 373458500 /nfs/dbraw/zinc/45/85/00/373458500.db2.gz YDHMABXHGSHZMM-HNNXBMFYSA-N 2 2 262.397 2.789 10 0 CFAELP [NH3+]CCCCCc1[nH+]c2ccccc2n1C[C@@H]1CCCO1 ZINC000053994567 373492281 /nfs/dbraw/zinc/49/22/81/373492281.db2.gz NTCJYUNZBQDPOV-AWEZNQCLSA-N 2 2 287.407 2.887 10 0 CFAELP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@]1(C)CC[NH+](C)C1 ZINC000067847228 374008940 /nfs/dbraw/zinc/00/89/40/374008940.db2.gz WHGZWFLMPBAVNL-SFHVURJKSA-N 3 2 298.434 2.646 10 0 CFAELP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@]1(C)CC[NH+](C)C1 ZINC000067847228 374008943 /nfs/dbraw/zinc/00/89/43/374008943.db2.gz WHGZWFLMPBAVNL-SFHVURJKSA-N 3 2 298.434 2.646 10 0 CFAELP C[NH+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@]1(C)CC[N@H+](C)C1 ZINC000067847228 374008950 /nfs/dbraw/zinc/00/89/50/374008950.db2.gz WHGZWFLMPBAVNL-SFHVURJKSA-N 3 2 298.434 2.646 10 0 CFAELP C[NH+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@]1(C)CC[N@@H+](C)C1 ZINC000067847228 374008959 /nfs/dbraw/zinc/00/89/59/374008959.db2.gz WHGZWFLMPBAVNL-SFHVURJKSA-N 3 2 298.434 2.646 10 0 CFAELP Cc1nc(N2CCC[C@@H]([NH3+])C2)cc(-c2ccc(F)cc2)[nH+]1 ZINC000070458547 374181866 /nfs/dbraw/zinc/18/18/66/374181866.db2.gz VJOARTFMMHJAEA-CQSZACIVSA-N 2 2 286.354 2.519 10 0 CFAELP CCc1c(C)[nH+]c(-c2ccccc2)nc1N1CCC([NH3+])CC1 ZINC000070451796 374178078 /nfs/dbraw/zinc/17/80/78/374178078.db2.gz SGIANUURIBCXJV-UHFFFAOYSA-N 2 2 296.418 2.942 10 0 CFAELP CC(C)n1c[nH+]cc1CN[C@H](C[NH+](C)C)c1ccccc1 ZINC000090207653 375004973 /nfs/dbraw/zinc/00/49/73/375004973.db2.gz CPVUUXZPDYMPJA-QGZVFWFLSA-N 2 2 286.423 2.857 10 0 CFAELP c1coc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812784 375159280 /nfs/dbraw/zinc/15/92/80/375159280.db2.gz HHPCIVABXAGPTM-ZDUSSCGKSA-N 2 2 257.337 2.609 10 0 CFAELP c1coc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812784 375159282 /nfs/dbraw/zinc/15/92/82/375159282.db2.gz HHPCIVABXAGPTM-ZDUSSCGKSA-N 2 2 257.337 2.609 10 0 CFAELP Cc1cc2ccccc2[nH+]c1NCCC[NH2+]C(C)C ZINC000571659946 383714977 /nfs/dbraw/zinc/71/49/77/383714977.db2.gz YFYKXWLKCMXYLQ-UHFFFAOYSA-N 2 2 257.381 2.765 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000130408463 377551383 /nfs/dbraw/zinc/55/13/83/377551383.db2.gz IUVKYDPKITVORW-OAHLLOKOSA-N 2 2 270.380 2.678 10 0 CFAELP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)s1 ZINC000151245566 378311067 /nfs/dbraw/zinc/31/10/67/378311067.db2.gz KQEGVRFREICKFA-KBPBESRZSA-N 2 2 282.453 2.554 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000174919774 379961178 /nfs/dbraw/zinc/96/11/78/379961178.db2.gz FBWHVAHERPLPTO-OAHLLOKOSA-N 2 2 297.406 2.836 10 0 CFAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000174924601 379962403 /nfs/dbraw/zinc/96/24/03/379962403.db2.gz LZXWPGFSQUHTML-HUUCEWRRSA-N 2 2 286.423 2.725 10 0 CFAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000174924601 379962411 /nfs/dbraw/zinc/96/24/11/379962411.db2.gz LZXWPGFSQUHTML-HUUCEWRRSA-N 2 2 286.423 2.725 10 0 CFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2Cl)C1 ZINC000176798482 380273990 /nfs/dbraw/zinc/27/39/90/380273990.db2.gz OBVKXOJEAKLVFU-MFKMUULPSA-N 2 2 253.777 2.876 10 0 CFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2Cl)C1 ZINC000176798482 380273995 /nfs/dbraw/zinc/27/39/95/380273995.db2.gz OBVKXOJEAKLVFU-MFKMUULPSA-N 2 2 253.777 2.876 10 0 CFAELP Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000180653215 380686346 /nfs/dbraw/zinc/68/63/46/380686346.db2.gz COQYTWDQUUFHGT-NWDGAFQWSA-N 2 2 297.362 2.976 10 0 CFAELP Cc1csc([C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000182744002 381148546 /nfs/dbraw/zinc/14/85/46/381148546.db2.gz YGDCZXNTOJDBEH-AWEZNQCLSA-N 2 2 290.436 2.918 10 0 CFAELP Cc1csc([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000182744002 381148552 /nfs/dbraw/zinc/14/85/52/381148552.db2.gz YGDCZXNTOJDBEH-AWEZNQCLSA-N 2 2 290.436 2.918 10 0 CFAELP CC(C)c1nc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)no1 ZINC000183170255 381224568 /nfs/dbraw/zinc/22/45/68/381224568.db2.gz JQZMJGIZTURTDI-CYBMUJFWSA-N 2 2 289.383 2.617 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000389271233 382613376 /nfs/dbraw/zinc/61/33/76/382613376.db2.gz RAYWDHMMLBZELR-OGVSOVDVSA-N 2 2 262.372 2.756 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000389271233 382613377 /nfs/dbraw/zinc/61/33/77/382613377.db2.gz RAYWDHMMLBZELR-OGVSOVDVSA-N 2 2 262.372 2.756 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000389224729 382613616 /nfs/dbraw/zinc/61/36/16/382613616.db2.gz GRYVPYIAZWMGIX-MRXNPFEDSA-N 2 2 269.392 2.727 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000389224729 382613618 /nfs/dbraw/zinc/61/36/18/382613618.db2.gz GRYVPYIAZWMGIX-MRXNPFEDSA-N 2 2 269.392 2.727 10 0 CFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC2CC2)C1 ZINC000190457804 382669160 /nfs/dbraw/zinc/66/91/60/382669160.db2.gz LQTGUBACGQNOTL-CQSZACIVSA-N 2 2 279.453 2.615 10 0 CFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC2CC2)C1 ZINC000190457804 382669162 /nfs/dbraw/zinc/66/91/62/382669162.db2.gz LQTGUBACGQNOTL-CQSZACIVSA-N 2 2 279.453 2.615 10 0 CFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC2CC2)C1 ZINC000190457804 382669163 /nfs/dbraw/zinc/66/91/63/382669163.db2.gz LQTGUBACGQNOTL-CQSZACIVSA-N 2 2 279.453 2.615 10 0 CFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000190457804 382669164 /nfs/dbraw/zinc/66/91/64/382669164.db2.gz LQTGUBACGQNOTL-CQSZACIVSA-N 2 2 279.453 2.615 10 0 CFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000245937347 383051374 /nfs/dbraw/zinc/05/13/74/383051374.db2.gz UFLMPWKHVAWVAX-JKIFEVAISA-N 2 2 276.424 2.558 10 0 CFAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000245937347 383051379 /nfs/dbraw/zinc/05/13/79/383051379.db2.gz UFLMPWKHVAWVAX-JKIFEVAISA-N 2 2 276.424 2.558 10 0 CFAELP CC[C@H]1CN(c2[nH+]ccc3ccccc32)CC[C@H]1[NH3+] ZINC000251771024 383395297 /nfs/dbraw/zinc/39/52/97/383395297.db2.gz MMDHELPYFFXEJH-SWLSCSKDSA-N 2 2 255.365 2.798 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(Cl)c3F)C[C@H]12 ZINC000261553331 383510318 /nfs/dbraw/zinc/51/03/18/383510318.db2.gz ADVWOGHVUPRFNT-SUZMYJTESA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@H]12 ZINC000261553331 383510322 /nfs/dbraw/zinc/51/03/22/383510322.db2.gz ADVWOGHVUPRFNT-SUZMYJTESA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3F)C[C@@H]12 ZINC000261553332 383510353 /nfs/dbraw/zinc/51/03/53/383510353.db2.gz ADVWOGHVUPRFNT-UFGOTCBOSA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@@H]12 ZINC000261553332 383510354 /nfs/dbraw/zinc/51/03/54/383510354.db2.gz ADVWOGHVUPRFNT-UFGOTCBOSA-N 2 2 268.763 2.648 10 0 CFAELP Cc1cc2cc(C[N@H+]3C[C@H](C)[C@H]([NH3+])C3)oc2cc1C ZINC000261924622 383580734 /nfs/dbraw/zinc/58/07/34/383580734.db2.gz BZVROFXKGKEXGA-SWLSCSKDSA-N 2 2 258.365 2.829 10 0 CFAELP Cc1cc2cc(C[N@@H+]3C[C@H](C)[C@H]([NH3+])C3)oc2cc1C ZINC000261924622 383580736 /nfs/dbraw/zinc/58/07/36/383580736.db2.gz BZVROFXKGKEXGA-SWLSCSKDSA-N 2 2 258.365 2.829 10 0 CFAELP CCC(F)(F)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000641799996 384367477 /nfs/dbraw/zinc/36/74/77/384367477.db2.gz VELYIHGGZRMCQL-KGLIPLIRSA-N 2 2 268.351 2.706 10 0 CFAELP CCC(F)(F)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000641799996 384367482 /nfs/dbraw/zinc/36/74/82/384367482.db2.gz VELYIHGGZRMCQL-KGLIPLIRSA-N 2 2 268.351 2.706 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CC3CCC2CC3)C1 ZINC000382035930 393569590 /nfs/dbraw/zinc/56/95/90/393569590.db2.gz CQLWEKABQODVHQ-NXSPZCGBSA-N 2 2 250.430 2.885 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CC3CCC2CC3)C1 ZINC000382035930 393569596 /nfs/dbraw/zinc/56/95/96/393569596.db2.gz CQLWEKABQODVHQ-NXSPZCGBSA-N 2 2 250.430 2.885 10 0 CFAELP CO[C@H](C[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000400260976 393599581 /nfs/dbraw/zinc/59/95/81/393599581.db2.gz SDSFXUODEFJDCI-WMLDXEAASA-N 2 2 276.424 2.522 10 0 CFAELP CO[C@H](C[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000400260976 393599586 /nfs/dbraw/zinc/59/95/86/393599586.db2.gz SDSFXUODEFJDCI-WMLDXEAASA-N 2 2 276.424 2.522 10 0 CFAELP [NH3+][C@@H]1CCC[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000335583400 393680832 /nfs/dbraw/zinc/68/08/32/393680832.db2.gz XMHGAKIMWAUZPD-NXEZZACHSA-N 2 2 259.275 2.782 10 0 CFAELP CCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195266448 393736484 /nfs/dbraw/zinc/73/64/84/393736484.db2.gz FBNWYNLJJNNMKE-ZDUSSCGKSA-N 2 2 267.442 2.615 10 0 CFAELP CCC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195266448 393736487 /nfs/dbraw/zinc/73/64/87/393736487.db2.gz FBNWYNLJJNNMKE-ZDUSSCGKSA-N 2 2 267.442 2.615 10 0 CFAELP CCC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195266448 393736489 /nfs/dbraw/zinc/73/64/89/393736489.db2.gz FBNWYNLJJNNMKE-ZDUSSCGKSA-N 2 2 267.442 2.615 10 0 CFAELP CCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195266448 393736492 /nfs/dbraw/zinc/73/64/92/393736492.db2.gz FBNWYNLJJNNMKE-ZDUSSCGKSA-N 2 2 267.442 2.615 10 0 CFAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)C[N@@H+]1C1CC1 ZINC000252713729 393938283 /nfs/dbraw/zinc/93/82/83/393938283.db2.gz QAVPQLPQUWIMNU-MRRJBJDNSA-N 2 2 256.393 2.889 10 0 CFAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)C[N@H+]1C1CC1 ZINC000252713729 393938288 /nfs/dbraw/zinc/93/82/88/393938288.db2.gz QAVPQLPQUWIMNU-MRRJBJDNSA-N 2 2 256.393 2.889 10 0 CFAELP CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000358400160 394107100 /nfs/dbraw/zinc/10/71/00/394107100.db2.gz LHOCOGUASMWYOI-YDHLFZDLSA-N 2 2 262.397 2.686 10 0 CFAELP CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000358400160 394107104 /nfs/dbraw/zinc/10/71/04/394107104.db2.gz LHOCOGUASMWYOI-YDHLFZDLSA-N 2 2 262.397 2.686 10 0 CFAELP CC[C@@H]1CN(c2ccc([NH+](C)C)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000083546000 135029056 /nfs/dbraw/zinc/02/90/56/135029056.db2.gz ILRAJOLGOHCSEF-PBHICJAKSA-N 2 2 275.440 2.965 10 0 CFAELP Fc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1F ZINC000188402338 543061772 /nfs/dbraw/zinc/06/17/72/543061772.db2.gz PCLVOVGZSSWGFV-CYBMUJFWSA-N 2 2 277.318 2.826 10 0 CFAELP Fc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1F ZINC000188402338 543061775 /nfs/dbraw/zinc/06/17/75/543061775.db2.gz PCLVOVGZSSWGFV-CYBMUJFWSA-N 2 2 277.318 2.826 10 0 CFAELP CCC[N@H+](C)[C@H](C[NH3+])c1cccc(OC(C)C)c1 ZINC000020226647 171091175 /nfs/dbraw/zinc/09/11/75/171091175.db2.gz FLBKPSPTOQGNAT-OAHLLOKOSA-N 2 2 250.386 2.815 10 0 CFAELP CCC[N@@H+](C)[C@H](C[NH3+])c1cccc(OC(C)C)c1 ZINC000020226647 171091176 /nfs/dbraw/zinc/09/11/76/171091176.db2.gz FLBKPSPTOQGNAT-OAHLLOKOSA-N 2 2 250.386 2.815 10 0 CFAELP CCC[N@H+](C)[C@H](C[NH3+])c1ccc(OC(C)C)cc1 ZINC000020226583 171091360 /nfs/dbraw/zinc/09/13/60/171091360.db2.gz NYQRIPBINQLEQD-OAHLLOKOSA-N 2 2 250.386 2.815 10 0 CFAELP CCC[N@@H+](C)[C@H](C[NH3+])c1ccc(OC(C)C)cc1 ZINC000020226583 171091362 /nfs/dbraw/zinc/09/13/62/171091362.db2.gz NYQRIPBINQLEQD-OAHLLOKOSA-N 2 2 250.386 2.815 10 0 CFAELP COC(C)(C)C[C@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000020524768 171237657 /nfs/dbraw/zinc/23/76/57/171237657.db2.gz HCPBIHMNAMYMBJ-KBPBESRZSA-N 2 2 258.450 2.756 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)C2CCCCC2)cc1 ZINC000022172460 171368972 /nfs/dbraw/zinc/36/89/72/171368972.db2.gz GDZGYFKMFWJKCT-MRXNPFEDSA-N 2 2 262.397 2.960 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)C2CCCCC2)cc1 ZINC000022172460 171368973 /nfs/dbraw/zinc/36/89/73/171368973.db2.gz GDZGYFKMFWJKCT-MRXNPFEDSA-N 2 2 262.397 2.960 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(Cl)ccc1F ZINC000035503781 172237515 /nfs/dbraw/zinc/23/75/15/172237515.db2.gz YABGKMMWEKCUFZ-NSHDSACASA-N 2 2 253.708 2.705 10 0 CFAELP C[N@H+](Cc1cccs1)[C@@H](C[NH3+])Cc1ccccc1 ZINC000035716933 172371207 /nfs/dbraw/zinc/37/12/07/172371207.db2.gz OHPYBCLLFFDIPY-CQSZACIVSA-N 2 2 260.406 2.750 10 0 CFAELP C[N@@H+](Cc1cccs1)[C@@H](C[NH3+])Cc1ccccc1 ZINC000035716933 172371209 /nfs/dbraw/zinc/37/12/09/172371209.db2.gz OHPYBCLLFFDIPY-CQSZACIVSA-N 2 2 260.406 2.750 10 0 CFAELP COC(C)(C)C[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037166488 173000660 /nfs/dbraw/zinc/00/06/60/173000660.db2.gz GUBDEVTWSXOJMR-KBPBESRZSA-N 2 2 258.450 2.756 10 0 CFAELP CSc1ccc([C@H](C[NH3+])[N@H+](C)[C@H]2CCSC2)cc1 ZINC000037174562 173009757 /nfs/dbraw/zinc/00/97/57/173009757.db2.gz DWEQXMYJKLIVTD-JSGCOSHPSA-N 2 2 282.478 2.846 10 0 CFAELP CSc1ccc([C@H](C[NH3+])[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000037174562 173009760 /nfs/dbraw/zinc/00/97/60/173009760.db2.gz DWEQXMYJKLIVTD-JSGCOSHPSA-N 2 2 282.478 2.846 10 0 CFAELP CC[NH+](CC)CCC[NH2+][C@H]1CCOc2ccc(OC)cc21 ZINC000037211022 173032442 /nfs/dbraw/zinc/03/24/42/173032442.db2.gz FQFKMNWKXLZEQZ-INIZCTEOSA-N 2 2 292.423 2.840 10 0 CFAELP Cc1cc(C)c(C[NH2+][C@H]2C[NH+]3CCC2CC3)cc1C ZINC000037211701 173032900 /nfs/dbraw/zinc/03/29/00/173032900.db2.gz VAFPBVHIRQZZBP-KRWDZBQOSA-N 2 2 258.409 2.796 10 0 CFAELP CC[C@@H](C)C[N@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363803 173152741 /nfs/dbraw/zinc/15/27/41/173152741.db2.gz RHEVQHLZDTYPRD-DOMZBBRYSA-N 2 2 262.397 2.599 10 0 CFAELP CC[C@@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363803 173152744 /nfs/dbraw/zinc/15/27/44/173152744.db2.gz RHEVQHLZDTYPRD-DOMZBBRYSA-N 2 2 262.397 2.599 10 0 CFAELP CCCC1CCC(C[NH3+])([NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000037489511 173231907 /nfs/dbraw/zinc/23/19/07/173231907.db2.gz ZKNFCTHYHCHJEW-FXQLRMTLSA-N 2 2 268.445 2.783 10 0 CFAELP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000037490943 173232500 /nfs/dbraw/zinc/23/25/00/173232500.db2.gz TXUMBVRYWZQCFQ-BZSNNMDCSA-N 2 2 290.451 2.963 10 0 CFAELP c1csc(C[NH2+]C[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000040397602 174253144 /nfs/dbraw/zinc/25/31/44/174253144.db2.gz ZPNZRSJOGUJQKH-DYEKYZERSA-N 2 2 250.411 2.758 10 0 CFAELP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cs1 ZINC000040622857 174356106 /nfs/dbraw/zinc/35/61/06/174356106.db2.gz LDYRPKLOJMFKGW-YPMHNXCESA-N 2 2 267.442 2.832 10 0 CFAELP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cs1 ZINC000040622857 174356107 /nfs/dbraw/zinc/35/61/07/174356107.db2.gz LDYRPKLOJMFKGW-YPMHNXCESA-N 2 2 267.442 2.832 10 0 CFAELP C[C@H]([NH2+]CCc1[nH+]ccn1C)c1ccccc1Cl ZINC000040638671 174362693 /nfs/dbraw/zinc/36/26/93/174362693.db2.gz MHBOABAMLNMRPJ-NSHDSACASA-N 2 2 263.772 2.967 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCCc2ccccc21 ZINC000040638894 174362853 /nfs/dbraw/zinc/36/28/53/174362853.db2.gz MQESXUGDOOEODK-OAHLLOKOSA-N 2 2 255.365 2.630 10 0 CFAELP C[C@H]([NH2+]CCc1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000040638669 174363085 /nfs/dbraw/zinc/36/30/85/174363085.db2.gz NXTCFOZVZLBPOI-NSHDSACASA-N 2 2 263.772 2.967 10 0 CFAELP Cc1cccc2c1OCCC[C@@H]2[NH2+]CCc1[nH+]ccn1C ZINC000040639307 174363749 /nfs/dbraw/zinc/36/37/49/174363749.db2.gz GWYLQXGVTBFCBF-HNNXBMFYSA-N 2 2 285.391 2.775 10 0 CFAELP CCOc1cccc([C@@H](C[NH3+])[NH+]2CCC(OCC)CC2)c1 ZINC000040678607 174374851 /nfs/dbraw/zinc/37/48/51/174374851.db2.gz PTROJQQUNOUHCA-QGZVFWFLSA-N 2 2 292.423 2.586 10 0 CFAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)C1 ZINC000040717482 174384891 /nfs/dbraw/zinc/38/48/91/174384891.db2.gz CFRPTEQXONGXJY-GWCFXTLKSA-N 2 2 270.323 2.630 10 0 CFAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)C1 ZINC000040717482 174384892 /nfs/dbraw/zinc/38/48/92/174384892.db2.gz CFRPTEQXONGXJY-GWCFXTLKSA-N 2 2 270.323 2.630 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)cccc1Cl ZINC000040749087 174393980 /nfs/dbraw/zinc/39/39/80/174393980.db2.gz AFYLWGAXDUYIQF-FGWVZKOKSA-N 2 2 268.763 2.933 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)cccc1Cl ZINC000040749087 174393981 /nfs/dbraw/zinc/39/39/81/174393981.db2.gz AFYLWGAXDUYIQF-FGWVZKOKSA-N 2 2 268.763 2.933 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(-c2ccccc2)on1 ZINC000040749979 174394651 /nfs/dbraw/zinc/39/46/51/174394651.db2.gz GQBITGGFXQJSMS-VHRNVKJDSA-N 2 2 283.375 2.796 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(-c2ccccc2)on1 ZINC000040749979 174394652 /nfs/dbraw/zinc/39/46/52/174394652.db2.gz GQBITGGFXQJSMS-VHRNVKJDSA-N 2 2 283.375 2.796 10 0 CFAELP Cc1cc(C)c([C@@H](C)[NH2+]Cc2cnn(C)c2)c(C)[nH+]1 ZINC000041159423 174501441 /nfs/dbraw/zinc/50/14/41/174501441.db2.gz PBSIVEOROXWZPV-GFCCVEGCSA-N 2 2 258.369 2.591 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1sccc1C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043248439 174991968 /nfs/dbraw/zinc/99/19/68/174991968.db2.gz WGZNODKCBXVLBD-MJBXVCDLSA-N 2 2 282.453 2.946 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1sccc1C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043248439 174991970 /nfs/dbraw/zinc/99/19/70/174991970.db2.gz WGZNODKCBXVLBD-MJBXVCDLSA-N 2 2 282.453 2.946 10 0 CFAELP CCOC1CC[NH+]([C@@H](C[NH3+])c2cccc(C)c2C)CC1 ZINC000043314748 175004742 /nfs/dbraw/zinc/00/47/42/175004742.db2.gz CVMWOISOMXVYIT-KRWDZBQOSA-N 2 2 276.424 2.804 10 0 CFAELP CC(C)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000043326144 175007579 /nfs/dbraw/zinc/00/75/79/175007579.db2.gz MZPLUGXARJKTLU-HUUCEWRRSA-N 2 2 250.361 2.864 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1ccccn1)n1cc[nH+]c1-c1ccccc1 ZINC000043341491 175015070 /nfs/dbraw/zinc/01/50/70/175015070.db2.gz AUHIORLTJNFXTE-CJNGLKHVSA-N 2 2 278.359 2.882 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@H](c1ccccn1)[C@H](C)[NH3+] ZINC000043341356 175015082 /nfs/dbraw/zinc/01/50/82/175015082.db2.gz HUMJRPTUHSEWAS-ZBEGNZNMSA-N 2 2 266.348 2.676 10 0 CFAELP CCC(CC)[N@@H+](CCOC)[C@H](c1ccccn1)[C@H]([NH3+])CC ZINC000043341025 175015170 /nfs/dbraw/zinc/01/51/70/175015170.db2.gz FRACWHZVUBZZKS-WBVHZDCISA-N 2 2 293.455 2.997 10 0 CFAELP CCC(CC)[N@H+](CCOC)[C@H](c1ccccn1)[C@H]([NH3+])CC ZINC000043341025 175015172 /nfs/dbraw/zinc/01/51/72/175015172.db2.gz FRACWHZVUBZZKS-WBVHZDCISA-N 2 2 293.455 2.997 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043348490 175018845 /nfs/dbraw/zinc/01/88/45/175018845.db2.gz RGRAFQVZOQTDEY-RRQGHBQHSA-N 2 2 291.439 2.607 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043348490 175018846 /nfs/dbraw/zinc/01/88/46/175018846.db2.gz RGRAFQVZOQTDEY-RRQGHBQHSA-N 2 2 291.439 2.607 10 0 CFAELP Cc1cc2[nH+]cn([C@@H](C[NH3+])c3cccnc3)c2cc1C ZINC000043348808 175019000 /nfs/dbraw/zinc/01/90/00/175019000.db2.gz WNQYKBNJEAGEDQ-INIZCTEOSA-N 2 2 266.348 2.596 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1cccnc1)n1cc[nH+]c1-c1ccccc1 ZINC000043348942 175019398 /nfs/dbraw/zinc/01/93/98/175019398.db2.gz DZYHMCZNORCKKO-CZUORRHYSA-N 2 2 278.359 2.882 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000043354720 175022327 /nfs/dbraw/zinc/02/23/27/175022327.db2.gz ZIUSFPNJHASPQX-SJXGUFTOSA-N 2 2 261.413 2.980 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000043354720 175022329 /nfs/dbraw/zinc/02/23/29/175022329.db2.gz ZIUSFPNJHASPQX-SJXGUFTOSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](CCOC)CC(C)C ZINC000043364973 175025595 /nfs/dbraw/zinc/02/55/95/175025595.db2.gz DEVVVHZRKCOZPP-GDBMZVCRSA-N 2 2 282.428 2.971 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](CCOC)CC(C)C ZINC000043364973 175025596 /nfs/dbraw/zinc/02/55/96/175025596.db2.gz DEVVVHZRKCOZPP-GDBMZVCRSA-N 2 2 282.428 2.971 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](CCO)C1CCCCC1 ZINC000043365194 175026339 /nfs/dbraw/zinc/02/63/39/175026339.db2.gz WNZGOIUKAVKUSL-RDJZCZTQSA-N 2 2 294.439 2.993 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](CCO)C1CCCCC1 ZINC000043365194 175026341 /nfs/dbraw/zinc/02/63/41/175026341.db2.gz WNZGOIUKAVKUSL-RDJZCZTQSA-N 2 2 294.439 2.993 10 0 CFAELP CC[N@H+](C[C@H]1CCCO1)[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394375 175034671 /nfs/dbraw/zinc/03/46/71/175034671.db2.gz RPAOLVHBFCKZND-SJORKVTESA-N 2 2 276.424 2.804 10 0 CFAELP CC[N@@H+](C[C@H]1CCCO1)[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394375 175034673 /nfs/dbraw/zinc/03/46/73/175034673.db2.gz RPAOLVHBFCKZND-SJORKVTESA-N 2 2 276.424 2.804 10 0 CFAELP Cc1cc(C)cc([C@H](C[NH3+])[N@@H+]2CCCSCC2)c1 ZINC000043394320 175035027 /nfs/dbraw/zinc/03/50/27/175035027.db2.gz IPPXNGHVXWEDGP-HNNXBMFYSA-N 2 2 264.438 2.742 10 0 CFAELP Cc1cc(C)cc([C@H](C[NH3+])[N@H+]2CCCSCC2)c1 ZINC000043394320 175035029 /nfs/dbraw/zinc/03/50/29/175035029.db2.gz IPPXNGHVXWEDGP-HNNXBMFYSA-N 2 2 264.438 2.742 10 0 CFAELP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1F ZINC000043458830 175050284 /nfs/dbraw/zinc/05/02/84/175050284.db2.gz KSXTVOURPRHBES-WDEREUQCSA-N 2 2 254.324 2.524 10 0 CFAELP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1F ZINC000043458830 175050286 /nfs/dbraw/zinc/05/02/86/175050286.db2.gz KSXTVOURPRHBES-WDEREUQCSA-N 2 2 254.324 2.524 10 0 CFAELP CC(C)C[N@H+](CCC(N)=[NH2+])Cc1cc(F)ccc1F ZINC000043458784 175050700 /nfs/dbraw/zinc/05/07/00/175050700.db2.gz CRHDNDVBITXUFZ-UHFFFAOYSA-N 2 2 269.339 2.749 10 0 CFAELP CC(C)C[N@@H+](CCC(N)=[NH2+])Cc1cc(F)ccc1F ZINC000043458784 175050703 /nfs/dbraw/zinc/05/07/03/175050703.db2.gz CRHDNDVBITXUFZ-UHFFFAOYSA-N 2 2 269.339 2.749 10 0 CFAELP C[C@H](C[C@H](C[NH3+])[NH+]1CCSCC1)c1ccccc1 ZINC000043534641 175062731 /nfs/dbraw/zinc/06/27/31/175062731.db2.gz XLZGFQJYVRSZNX-UKRRQHHQSA-N 2 2 264.438 2.556 10 0 CFAELP C[C@H](CC[NH2+]CCc1[nH+]ccn1C)c1ccccc1 ZINC000043534260 175062735 /nfs/dbraw/zinc/06/27/35/175062735.db2.gz RDLRQNZQAPEMQC-CQSZACIVSA-N 2 2 257.381 2.746 10 0 CFAELP CCC[NH2+][C@@H](C[NH+]1CCCC1)c1ccc(OC)cc1OC ZINC000043807571 175108550 /nfs/dbraw/zinc/10/85/50/175108550.db2.gz WIQXIGUNCPDPAX-INIZCTEOSA-N 2 2 292.423 2.840 10 0 CFAELP CCC[NH2+][C@H](C[NH+]1CCCC1)c1ccc(OC)cc1OC ZINC000043807573 175108878 /nfs/dbraw/zinc/10/88/78/175108878.db2.gz WIQXIGUNCPDPAX-MRXNPFEDSA-N 2 2 292.423 2.840 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccncc1 ZINC000043894205 175119097 /nfs/dbraw/zinc/11/90/97/175119097.db2.gz IXLXNEDNFOXDEH-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccncc1 ZINC000043894205 175119098 /nfs/dbraw/zinc/11/90/98/175119098.db2.gz IXLXNEDNFOXDEH-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@H+](C)Cc1ccccn1 ZINC000043894447 175119442 /nfs/dbraw/zinc/11/94/42/175119442.db2.gz PQVKLDSDBYXFPW-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](C)Cc1ccccn1 ZINC000043894447 175119443 /nfs/dbraw/zinc/11/94/43/175119443.db2.gz PQVKLDSDBYXFPW-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@@H+]1CCOC(C)(C)C1 ZINC000043897907 175120584 /nfs/dbraw/zinc/12/05/84/175120584.db2.gz QIYKWDLHBMWOKP-ZIAGYGMSSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@H+]1CCOC(C)(C)C1 ZINC000043897907 175120585 /nfs/dbraw/zinc/12/05/85/175120585.db2.gz QIYKWDLHBMWOKP-ZIAGYGMSSA-N 2 2 256.434 2.654 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897837 175120765 /nfs/dbraw/zinc/12/07/65/175120765.db2.gz OBKWFDUXBBWYQR-HUUCEWRRSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897998 175120744 /nfs/dbraw/zinc/12/07/44/175120744.db2.gz YIIYVNMJZLJTKL-GJZGRUSLSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897998 175120745 /nfs/dbraw/zinc/12/07/45/175120745.db2.gz YIIYVNMJZLJTKL-GJZGRUSLSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897837 175120763 /nfs/dbraw/zinc/12/07/63/175120763.db2.gz OBKWFDUXBBWYQR-HUUCEWRRSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@H+](C)C1CCOCC1 ZINC000043898453 175121185 /nfs/dbraw/zinc/12/11/85/175121185.db2.gz PRYLDNRIBPVWEE-HUUCEWRRSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@@H+](C)C1CCOCC1 ZINC000043898453 175121186 /nfs/dbraw/zinc/12/11/86/175121186.db2.gz PRYLDNRIBPVWEE-HUUCEWRRSA-N 2 2 256.434 2.654 10 0 CFAELP CC[NH2+][C@H](CC)[C@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000043911926 175123697 /nfs/dbraw/zinc/12/36/97/175123697.db2.gz NJLDZQWHEMCYIG-XJKSGUPXSA-N 2 2 264.413 2.904 10 0 CFAELP CC[NH2+][C@H](CC)[C@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911926 175123698 /nfs/dbraw/zinc/12/36/98/175123698.db2.gz NJLDZQWHEMCYIG-XJKSGUPXSA-N 2 2 264.413 2.904 10 0 CFAELP CC[C@H]([NH2+]C)[C@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000043911819 175123713 /nfs/dbraw/zinc/12/37/13/175123713.db2.gz WUBGHJFBBUHHRD-WFASDCNBSA-N 2 2 250.386 2.514 10 0 CFAELP CC[C@H]([NH2+]C)[C@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911819 175123714 /nfs/dbraw/zinc/12/37/14/175123714.db2.gz WUBGHJFBBUHHRD-WFASDCNBSA-N 2 2 250.386 2.514 10 0 CFAELP CC[NH2+][C@H](C)[C@@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000043911977 175123737 /nfs/dbraw/zinc/12/37/37/175123737.db2.gz QWSIZXZKUWDYKD-CHWSQXEVSA-N 2 2 250.386 2.514 10 0 CFAELP CC[NH2+][C@H](C)[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911977 175123738 /nfs/dbraw/zinc/12/37/38/175123738.db2.gz QWSIZXZKUWDYKD-CHWSQXEVSA-N 2 2 250.386 2.514 10 0 CFAELP C[NH2+][C@H]1CCCC[C@H]1[N@H+](C)Cc1ccccc1OC ZINC000043912168 175123887 /nfs/dbraw/zinc/12/38/87/175123887.db2.gz YONFMWVDSDDXGI-LSDHHAIUSA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccccc1OC ZINC000043912168 175123888 /nfs/dbraw/zinc/12/38/88/175123888.db2.gz YONFMWVDSDDXGI-LSDHHAIUSA-N 2 2 262.397 2.658 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2CCC[C@H]1[N@H+](C)CCOC ZINC000043915694 175125145 /nfs/dbraw/zinc/12/51/45/175125145.db2.gz WALHODJYFYRJCQ-SJORKVTESA-N 2 2 276.424 2.620 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2CCC[C@H]1[N@@H+](C)CCOC ZINC000043915694 175125146 /nfs/dbraw/zinc/12/51/46/175125146.db2.gz WALHODJYFYRJCQ-SJORKVTESA-N 2 2 276.424 2.620 10 0 CFAELP CCC[NH2+][C@H]1CCCCCC[C@@H]1[N@H+](C)CCOC ZINC000043916266 175125219 /nfs/dbraw/zinc/12/52/19/175125219.db2.gz UJGSNVQUFYAGLI-GJZGRUSLSA-N 2 2 256.434 2.656 10 0 CFAELP CCC[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+](C)CCOC ZINC000043916266 175125220 /nfs/dbraw/zinc/12/52/20/175125220.db2.gz UJGSNVQUFYAGLI-GJZGRUSLSA-N 2 2 256.434 2.656 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@H]1[N@H+](C)CC1CCCCC1 ZINC000043968306 175129772 /nfs/dbraw/zinc/12/97/72/175129772.db2.gz WVPRYCFAJJQGJN-JKSUJKDBSA-N 2 2 268.445 2.656 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@H]1[N@@H+](C)CC1CCCCC1 ZINC000043968306 175129773 /nfs/dbraw/zinc/12/97/73/175129773.db2.gz WVPRYCFAJJQGJN-JKSUJKDBSA-N 2 2 268.445 2.656 10 0 CFAELP CC[N@H+](CCOC)C[C@H]([NH2+]C)c1ccc(C)cc1C ZINC000043968529 175130034 /nfs/dbraw/zinc/13/00/34/175130034.db2.gz PBONVLWLUOAOHT-INIZCTEOSA-N 2 2 264.413 2.532 10 0 CFAELP CC[N@@H+](CCOC)C[C@H]([NH2+]C)c1ccc(C)cc1C ZINC000043968529 175130036 /nfs/dbraw/zinc/13/00/36/175130036.db2.gz PBONVLWLUOAOHT-INIZCTEOSA-N 2 2 264.413 2.532 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043970096 175131511 /nfs/dbraw/zinc/13/15/11/175131511.db2.gz NRODCCQMXJXPKW-CVEARBPZSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043970096 175131512 /nfs/dbraw/zinc/13/15/12/175131512.db2.gz NRODCCQMXJXPKW-CVEARBPZSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H](C)[C@@H](C)[N@@H+]1CCC[C@H](OCCC)C1 ZINC000043971333 175132487 /nfs/dbraw/zinc/13/24/87/175132487.db2.gz BLPIMBYWGZXFJU-KFWWJZLASA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H](C)[C@@H](C)[N@H+]1CCC[C@H](OCCC)C1 ZINC000043971333 175132488 /nfs/dbraw/zinc/13/24/88/175132488.db2.gz BLPIMBYWGZXFJU-KFWWJZLASA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H](C)[C@H](C)[N@@H+]1CCC[C@H](OCCC)C1 ZINC000043971337 175132613 /nfs/dbraw/zinc/13/26/13/175132613.db2.gz BLPIMBYWGZXFJU-ILXRZTDVSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H](C)[C@H](C)[N@H+]1CCC[C@H](OCCC)C1 ZINC000043971337 175132615 /nfs/dbraw/zinc/13/26/15/175132615.db2.gz BLPIMBYWGZXFJU-ILXRZTDVSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@H]1[N@H+](C)[C@@H](C)CC(C)C ZINC000043973040 175133059 /nfs/dbraw/zinc/13/30/59/175133059.db2.gz PTKOOHJHJXOMTK-RRFJBIMHSA-N 2 2 256.434 2.510 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@H]1[N@@H+](C)[C@@H](C)CC(C)C ZINC000043973040 175133060 /nfs/dbraw/zinc/13/30/60/175133060.db2.gz PTKOOHJHJXOMTK-RRFJBIMHSA-N 2 2 256.434 2.510 10 0 CFAELP CCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000043992683 175135700 /nfs/dbraw/zinc/13/57/00/175135700.db2.gz OPPJKACSIMGTQM-HNNXBMFYSA-N 2 2 259.353 2.633 10 0 CFAELP CC[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1n1cc[nH+]c1 ZINC000043992534 175135750 /nfs/dbraw/zinc/13/57/50/175135750.db2.gz LALJLWZBEKQDTD-CVEARBPZSA-N 2 2 271.364 2.730 10 0 CFAELP CC[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC000044121257 175142670 /nfs/dbraw/zinc/14/26/70/175142670.db2.gz YTAMNYAPIUWDHY-IRXDYDNUSA-N 2 2 276.424 2.525 10 0 CFAELP CC[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000044121257 175142672 /nfs/dbraw/zinc/14/26/72/175142672.db2.gz YTAMNYAPIUWDHY-IRXDYDNUSA-N 2 2 276.424 2.525 10 0 CFAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1c(F)cccc1F ZINC000044535387 175198780 /nfs/dbraw/zinc/19/87/80/175198780.db2.gz QWNSFZWAKWIPMZ-RYUDHWBXSA-N 2 2 268.351 2.957 10 0 CFAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1c(F)cccc1F ZINC000044535387 175198782 /nfs/dbraw/zinc/19/87/82/175198782.db2.gz QWNSFZWAKWIPMZ-RYUDHWBXSA-N 2 2 268.351 2.957 10 0 CFAELP CCn1cc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC000044540439 175200774 /nfs/dbraw/zinc/20/07/74/175200774.db2.gz YJTQXTGTZWIVRD-OAHLLOKOSA-N 2 2 271.408 2.974 10 0 CFAELP CCn1cc(C[N@H+]2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC000044540439 175200775 /nfs/dbraw/zinc/20/07/75/175200775.db2.gz YJTQXTGTZWIVRD-OAHLLOKOSA-N 2 2 271.408 2.974 10 0 CFAELP Cc1cccc(OCCC[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000044558600 175203579 /nfs/dbraw/zinc/20/35/79/175203579.db2.gz USQXMETYHPYBJU-HNNXBMFYSA-N 2 2 262.397 2.577 10 0 CFAELP Cc1cccc(OCCC[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000044558600 175203580 /nfs/dbraw/zinc/20/35/80/175203580.db2.gz USQXMETYHPYBJU-HNNXBMFYSA-N 2 2 262.397 2.577 10 0 CFAELP C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000044560831 175204364 /nfs/dbraw/zinc/20/43/64/175204364.db2.gz PKEJSSUVGUOBTL-IAGOWNOFSA-N 2 2 258.409 2.618 10 0 CFAELP C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000044560831 175204365 /nfs/dbraw/zinc/20/43/65/175204365.db2.gz PKEJSSUVGUOBTL-IAGOWNOFSA-N 2 2 258.409 2.618 10 0 CFAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000044561219 175204924 /nfs/dbraw/zinc/20/49/24/175204924.db2.gz PIBMPCHTRAKDSO-OBYDGYHJSA-N 2 2 262.441 2.885 10 0 CFAELP C[N@H+]1CCCC[C@@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000044561219 175204926 /nfs/dbraw/zinc/20/49/26/175204926.db2.gz PIBMPCHTRAKDSO-OBYDGYHJSA-N 2 2 262.441 2.885 10 0 CFAELP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000044561424 175204992 /nfs/dbraw/zinc/20/49/92/175204992.db2.gz BIFWVTZINFCUOP-RDJZCZTQSA-N 3 2 281.488 2.571 10 0 CFAELP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000044561424 175204994 /nfs/dbraw/zinc/20/49/94/175204994.db2.gz BIFWVTZINFCUOP-RDJZCZTQSA-N 3 2 281.488 2.571 10 0 CFAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC000044562694 175205625 /nfs/dbraw/zinc/20/56/25/175205625.db2.gz VHDBADYCSVPYNM-MRXNPFEDSA-N 2 2 269.392 2.809 10 0 CFAELP C[N@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC000044562694 175205627 /nfs/dbraw/zinc/20/56/27/175205627.db2.gz VHDBADYCSVPYNM-MRXNPFEDSA-N 2 2 269.392 2.809 10 0 CFAELP C[NH2+][C@H]1CCCc2cc(OCCCn3cc[nH+]c3)ccc21 ZINC000044745068 175241544 /nfs/dbraw/zinc/24/15/44/175241544.db2.gz AXEFDTZWBAHNOJ-KRWDZBQOSA-N 2 2 285.391 2.949 10 0 CFAELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747524 175243043 /nfs/dbraw/zinc/24/30/43/175243043.db2.gz ZLBLBYBYMAQOKA-GUYCJALGSA-N 2 2 274.408 2.844 10 0 CFAELP CC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H]1CC)C(=O)OCC ZINC000045367517 175362911 /nfs/dbraw/zinc/36/29/11/175362911.db2.gz BHUFKBBFTBYUHA-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CC[NH2+][C@@](C)(CCC[N@H+]1CCC[C@@H]1CC)C(=O)OCC ZINC000045367517 175362912 /nfs/dbraw/zinc/36/29/12/175362912.db2.gz BHUFKBBFTBYUHA-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[N@@H+]1CCC[C@@H]1C)[NH2+]C(C)C ZINC000045367825 175363394 /nfs/dbraw/zinc/36/33/94/175363394.db2.gz LXNKCZMEISDMGG-DOTOQJQBSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[N@H+]1CCC[C@@H]1C)[NH2+]C(C)C ZINC000045367825 175363396 /nfs/dbraw/zinc/36/33/96/175363396.db2.gz LXNKCZMEISDMGG-DOTOQJQBSA-N 2 2 298.471 2.961 10 0 CFAELP COC(=O)[C@](C)(CCC[NH+]1CCCCCCC1)[NH2+]C1CC1 ZINC000045371664 175364266 /nfs/dbraw/zinc/36/42/66/175364266.db2.gz BWQLRRFRROHWQE-KRWDZBQOSA-N 2 2 296.455 2.716 10 0 CFAELP CCC[NH2+][C@](C)(CCCC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045374830 175365849 /nfs/dbraw/zinc/36/58/49/175365849.db2.gz ZEVHBLXYOCFGTH-QGZVFWFLSA-N 2 2 298.471 2.820 10 0 CFAELP CCC[NH2+][C@@](C)(CCCC[NH+]1CCCC1)C(=O)OCC ZINC000045375275 175366120 /nfs/dbraw/zinc/36/61/20/175366120.db2.gz HXOJIGRFKSSZDE-INIZCTEOSA-N 2 2 284.444 2.574 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376155 175366689 /nfs/dbraw/zinc/36/66/89/175366689.db2.gz DPRPOFQNCUTZPM-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[N@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376155 175366690 /nfs/dbraw/zinc/36/66/90/175366690.db2.gz DPRPOFQNCUTZPM-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[NH2+][C@](C)(CCC[NH+]1CCCCCC1)C(=O)OC ZINC000045377542 175367088 /nfs/dbraw/zinc/36/70/88/175367088.db2.gz QBNOSUJQIHANST-MRXNPFEDSA-N 2 2 284.444 2.574 10 0 CFAELP CCC[NH2+][C@](C)(CCC[NH+]1CCCCC1)C(=O)OCC ZINC000045378353 175367455 /nfs/dbraw/zinc/36/74/55/175367455.db2.gz PYPZGNGZILQMDI-MRXNPFEDSA-N 2 2 284.444 2.574 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[NH+]1CCCCC1)[NH2+]C(C)C ZINC000045378363 175367708 /nfs/dbraw/zinc/36/77/08/175367708.db2.gz CCZZYGQEMGAMRB-MRXNPFEDSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@H+](C)C(C)C)[NH2+]C1CC1 ZINC000045378015 175367718 /nfs/dbraw/zinc/36/77/18/175367718.db2.gz XFYWKIZNACAIAP-INIZCTEOSA-N 2 2 284.444 2.571 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@@H+](C)C(C)C)[NH2+]C1CC1 ZINC000045378015 175367719 /nfs/dbraw/zinc/36/77/19/175367719.db2.gz XFYWKIZNACAIAP-INIZCTEOSA-N 2 2 284.444 2.571 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[NH+]1[C@@H](C)CCC[C@@H]1C)[NH2+]C ZINC000045379598 175368747 /nfs/dbraw/zinc/36/87/47/175368747.db2.gz OSPLNBRELLXDCR-ZOBUZTSGSA-N 2 2 298.471 2.961 10 0 CFAELP CCCOc1ccc(-c2cn(CC[NH3+])c(C)[nH+]2)cc1 ZINC000071585477 176210829 /nfs/dbraw/zinc/21/08/29/176210829.db2.gz PXJORDVKQFFHKH-UHFFFAOYSA-N 2 2 259.353 2.606 10 0 CFAELP CC1(C)CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]21 ZINC000076697540 177060828 /nfs/dbraw/zinc/06/08/28/177060828.db2.gz QRRNYPWMVYJEKH-HZPDHXFCSA-N 2 2 258.409 2.897 10 0 CFAELP CC1(C)CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]21 ZINC000076697540 177060829 /nfs/dbraw/zinc/06/08/29/177060829.db2.gz QRRNYPWMVYJEKH-HZPDHXFCSA-N 2 2 258.409 2.897 10 0 CFAELP CC[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(C(C)C)c1 ZINC000077432334 177268391 /nfs/dbraw/zinc/26/83/91/177268391.db2.gz VJKUBKQEEXNPTJ-AWEZNQCLSA-N 2 2 250.386 2.770 10 0 CFAELP CC[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(C(C)C)c1 ZINC000077432334 177268392 /nfs/dbraw/zinc/26/83/92/177268392.db2.gz VJKUBKQEEXNPTJ-AWEZNQCLSA-N 2 2 250.386 2.770 10 0 CFAELP Cc1cc[nH+]c(N[C@@H](CC[NH3+])C(F)F)c1Br ZINC000394776821 270309631 /nfs/dbraw/zinc/30/96/31/270309631.db2.gz IFDKIHCXSOBQRR-ZETCQYMHSA-N 2 2 294.143 2.547 10 0 CFAELP CCCC[C@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000180573888 276241972 /nfs/dbraw/zinc/24/19/72/276241972.db2.gz HAODTHMEDNVNBP-KBPBESRZSA-N 2 2 291.443 2.655 10 0 CFAELP COc1ccc2ccccc2c1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234985511 278000925 /nfs/dbraw/zinc/00/09/25/278000925.db2.gz FDZLQHZZFHGAOV-LRDDRELGSA-N 2 2 270.376 2.627 10 0 CFAELP COc1ccc2ccccc2c1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234985511 278000926 /nfs/dbraw/zinc/00/09/26/278000926.db2.gz FDZLQHZZFHGAOV-LRDDRELGSA-N 2 2 270.376 2.627 10 0 CFAELP CSC[C@@H](C)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000131592215 278133967 /nfs/dbraw/zinc/13/39/67/278133967.db2.gz QGANJUSACVZWQN-ZBFHGGJFSA-N 2 2 278.465 2.645 10 0 CFAELP CSC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000131592215 278133968 /nfs/dbraw/zinc/13/39/68/278133968.db2.gz QGANJUSACVZWQN-ZBFHGGJFSA-N 2 2 278.465 2.645 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2)C1 ZINC000252714473 281077129 /nfs/dbraw/zinc/07/71/29/281077129.db2.gz SBJXODAGYVKHGJ-CZUORRHYSA-N 2 2 264.388 2.831 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2)C1 ZINC000252714473 281077130 /nfs/dbraw/zinc/07/71/30/281077130.db2.gz SBJXODAGYVKHGJ-CZUORRHYSA-N 2 2 264.388 2.831 10 0 CFAELP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396644059 281196680 /nfs/dbraw/zinc/19/66/80/281196680.db2.gz QDMUMRKVKBLYDY-KCQAQPDRSA-N 2 2 262.397 2.795 10 0 CFAELP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)s1 ZINC000396703830 281197061 /nfs/dbraw/zinc/19/70/61/281197061.db2.gz IACDMELCQDSXPZ-QRTLGDNMSA-N 2 2 253.415 2.551 10 0 CFAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000246451932 281199750 /nfs/dbraw/zinc/19/97/50/281199750.db2.gz LZXWPGFSQUHTML-GJZGRUSLSA-N 2 2 286.423 2.725 10 0 CFAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000246451932 281199752 /nfs/dbraw/zinc/19/97/52/281199752.db2.gz LZXWPGFSQUHTML-GJZGRUSLSA-N 2 2 286.423 2.725 10 0 CFAELP CCN(CC)c1ccc(N[C@H](C)[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000584463841 329490521 /nfs/dbraw/zinc/49/05/21/329490521.db2.gz JIKCJGMETSQSFC-KGLIPLIRSA-N 2 2 276.428 2.728 10 0 CFAELP CC[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000069237333 520966350 /nfs/dbraw/zinc/96/63/50/520966350.db2.gz WYCWTSSVUWZNFQ-OAHLLOKOSA-N 2 2 262.397 2.735 10 0 CFAELP CC[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000069237333 520966360 /nfs/dbraw/zinc/96/63/60/520966360.db2.gz WYCWTSSVUWZNFQ-OAHLLOKOSA-N 2 2 262.397 2.735 10 0 CFAELP CC[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000069237410 520967122 /nfs/dbraw/zinc/96/71/22/520967122.db2.gz BYHOBYNZNGKEAJ-OAHLLOKOSA-N 2 2 250.361 2.866 10 0 CFAELP CC[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000069237410 520967130 /nfs/dbraw/zinc/96/71/30/520967130.db2.gz BYHOBYNZNGKEAJ-OAHLLOKOSA-N 2 2 250.361 2.866 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@H](C[NH3+])c1ccc(OC)cc1OC ZINC000069429819 521309123 /nfs/dbraw/zinc/30/91/23/521309123.db2.gz KCSSUHCVTJQBAU-CQSZACIVSA-N 2 2 280.412 2.824 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@H](C[NH3+])c1ccc(OC)cc1OC ZINC000069429819 521309126 /nfs/dbraw/zinc/30/91/26/521309126.db2.gz KCSSUHCVTJQBAU-CQSZACIVSA-N 2 2 280.412 2.824 10 0 CFAELP CC[NH+]1CCC([N@H+](C)[C@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052544084 521567547 /nfs/dbraw/zinc/56/75/47/521567547.db2.gz OCGGEJGUSJJAEI-CQSZACIVSA-N 3 2 269.477 2.569 10 0 CFAELP CC[NH+]1CCC([N@@H+](C)[C@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052544084 521567554 /nfs/dbraw/zinc/56/75/54/521567554.db2.gz OCGGEJGUSJJAEI-CQSZACIVSA-N 3 2 269.477 2.569 10 0 CFAELP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)C[NH+]2CCCC2)c1 ZINC000049149826 519749126 /nfs/dbraw/zinc/74/91/26/519749126.db2.gz NCFGDTVXDBYQFY-KGLIPLIRSA-N 2 2 289.423 2.780 10 0 CFAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)Cc1ccco1 ZINC000062771671 519775910 /nfs/dbraw/zinc/77/59/10/519775910.db2.gz XQXDHCNXHSUXFZ-KGLIPLIRSA-N 2 2 252.402 2.777 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)NC1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000049208449 519793582 /nfs/dbraw/zinc/79/35/82/519793582.db2.gz ZSJAMBOVDKMZDT-SOABOVLPSA-N 2 2 295.515 2.671 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)NC1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC000049208449 519793583 /nfs/dbraw/zinc/79/35/83/519793583.db2.gz ZSJAMBOVDKMZDT-SOABOVLPSA-N 2 2 295.515 2.671 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]Cc1ccc2ncccc2c1 ZINC000049216364 519793849 /nfs/dbraw/zinc/79/38/49/519793849.db2.gz MTVVEMBEWSGMAI-QGZVFWFLSA-N 2 2 271.408 2.911 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H](C)CCc1ccco1 ZINC000049197637 519793883 /nfs/dbraw/zinc/79/38/83/519793883.db2.gz QBLOILXRCUJEFH-UKRRQHHQSA-N 2 2 252.402 2.777 10 0 CFAELP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000049197583 519847603 /nfs/dbraw/zinc/84/76/03/519847603.db2.gz POQDELDQSMSMGQ-RDJZCZTQSA-N 3 2 283.504 2.673 10 0 CFAELP CC[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443482 519927227 /nfs/dbraw/zinc/92/72/27/519927227.db2.gz JZZGFKRUFXATAY-CQSZACIVSA-N 2 2 295.858 2.850 10 0 CFAELP CCC[NH2+]C[C@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417255 519930222 /nfs/dbraw/zinc/93/02/22/519930222.db2.gz DISMVZJNMRMZAP-GOSISDBHSA-N 2 2 289.467 2.833 10 0 CFAELP CC[N@H+](C(C)C)[C@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596538 520137716 /nfs/dbraw/zinc/13/77/16/520137716.db2.gz QJPWMQWFQVFQIR-CQSZACIVSA-N 2 2 250.386 2.734 10 0 CFAELP CC[N@@H+](C(C)C)[C@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596538 520137720 /nfs/dbraw/zinc/13/77/20/520137720.db2.gz QJPWMQWFQVFQIR-CQSZACIVSA-N 2 2 250.386 2.734 10 0 CFAELP CC1(C)C[N@H+](Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000062624924 520479770 /nfs/dbraw/zinc/47/97/70/520479770.db2.gz PKUOHYZEOHYMKW-UHFFFAOYSA-N 2 2 252.789 2.914 10 0 CFAELP CC1(C)C[N@@H+](Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000062624924 520479778 /nfs/dbraw/zinc/47/97/78/520479778.db2.gz PKUOHYZEOHYMKW-UHFFFAOYSA-N 2 2 252.789 2.914 10 0 CFAELP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000191812284 520604291 /nfs/dbraw/zinc/60/42/91/520604291.db2.gz JIVIQWHPVFKKJJ-HNNXBMFYSA-N 2 2 264.417 2.669 10 0 CFAELP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000191812284 520604299 /nfs/dbraw/zinc/60/42/99/520604299.db2.gz JIVIQWHPVFKKJJ-HNNXBMFYSA-N 2 2 264.417 2.669 10 0 CFAELP CC[NH+](CC)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052378078 520759644 /nfs/dbraw/zinc/75/96/44/520759644.db2.gz GUIHPWOTYXPBFU-UHFFFAOYSA-N 2 2 255.431 2.873 10 0 CFAELP CCCC[C@@](CC)(C[NH3+])[N@H+](C)C[C@@H]1CCCOC1 ZINC000069381239 521120281 /nfs/dbraw/zinc/12/02/81/521120281.db2.gz INMONINUZUMHNI-GJZGRUSLSA-N 2 2 256.434 2.643 10 0 CFAELP CCCC[C@@](CC)(C[NH3+])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000069381239 521120287 /nfs/dbraw/zinc/12/02/87/521120287.db2.gz INMONINUZUMHNI-GJZGRUSLSA-N 2 2 256.434 2.643 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@@H](C[NH3+])c1cc(OC)ccc1OC ZINC000069429566 521308323 /nfs/dbraw/zinc/30/83/23/521308323.db2.gz DLPPECJAMZQDIX-AWEZNQCLSA-N 2 2 280.412 2.824 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@@H](C[NH3+])c1cc(OC)ccc1OC ZINC000069429566 521308331 /nfs/dbraw/zinc/30/83/31/521308331.db2.gz DLPPECJAMZQDIX-AWEZNQCLSA-N 2 2 280.412 2.824 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000069429467 521309578 /nfs/dbraw/zinc/30/95/78/521309578.db2.gz NFLMTMKBGUPPIS-MRXNPFEDSA-N 2 2 286.423 2.993 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000069429467 521309582 /nfs/dbraw/zinc/30/95/82/521309582.db2.gz NFLMTMKBGUPPIS-MRXNPFEDSA-N 2 2 286.423 2.993 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000069427681 521310017 /nfs/dbraw/zinc/31/00/17/521310017.db2.gz MYZGJAHXTUNNOO-AWEZNQCLSA-N 2 2 250.386 2.815 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000069427681 521310025 /nfs/dbraw/zinc/31/00/25/521310025.db2.gz MYZGJAHXTUNNOO-AWEZNQCLSA-N 2 2 250.386 2.815 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000069429464 521310188 /nfs/dbraw/zinc/31/01/88/521310188.db2.gz NFLMTMKBGUPPIS-INIZCTEOSA-N 2 2 286.423 2.993 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000069429464 521310196 /nfs/dbraw/zinc/31/01/96/521310196.db2.gz NFLMTMKBGUPPIS-INIZCTEOSA-N 2 2 286.423 2.993 10 0 CFAELP CCOc1cccc([C@@H](C[NH3+])[N@H+](CC)CC2CC2)c1 ZINC000069237583 521414532 /nfs/dbraw/zinc/41/45/32/521414532.db2.gz DBMPZUIBLULHKP-MRXNPFEDSA-N 2 2 262.397 2.817 10 0 CFAELP CCOc1cccc([C@@H](C[NH3+])[N@@H+](CC)CC2CC2)c1 ZINC000069237583 521414541 /nfs/dbraw/zinc/41/45/41/521414541.db2.gz DBMPZUIBLULHKP-MRXNPFEDSA-N 2 2 262.397 2.817 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@H+](C)C[C@@H]1CCCCO1 ZINC000052203709 521930437 /nfs/dbraw/zinc/93/04/37/521930437.db2.gz DLIWYELNDQZHFV-DOTOQJQBSA-N 2 2 276.424 2.750 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052203709 521930442 /nfs/dbraw/zinc/93/04/42/521930442.db2.gz DLIWYELNDQZHFV-DOTOQJQBSA-N 2 2 276.424 2.750 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@@H+]1CCCSCC1 ZINC000052203670 521952716 /nfs/dbraw/zinc/95/27/16/521952716.db2.gz PUCMOVRMWZCDIK-HNNXBMFYSA-N 2 2 264.438 2.688 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@H+]1CCCSCC1 ZINC000052203670 521952721 /nfs/dbraw/zinc/95/27/21/521952721.db2.gz PUCMOVRMWZCDIK-HNNXBMFYSA-N 2 2 264.438 2.688 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@H+](CC)[C@@H](C)COC ZINC000052203860 521954316 /nfs/dbraw/zinc/95/43/16/521954316.db2.gz MKZREGJRCDTYCC-BBRMVZONSA-N 2 2 264.413 2.606 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@@H+](CC)[C@@H](C)COC ZINC000052203860 521954324 /nfs/dbraw/zinc/95/43/24/521954324.db2.gz MKZREGJRCDTYCC-BBRMVZONSA-N 2 2 264.413 2.606 10 0 CFAELP C[NH2+]C[C@@H](C(C)C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052418963 522024722 /nfs/dbraw/zinc/02/47/22/522024722.db2.gz KTNSKFZIHSZLNM-INIZCTEOSA-N 2 2 295.858 2.706 10 0 CFAELP COC1CC[NH+]([C@@]2(C[NH3+])CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000069383309 522707959 /nfs/dbraw/zinc/70/79/59/522707959.db2.gz UKAGXPPLSVXRRF-YPMHNXCESA-N 2 2 294.361 2.547 10 0 CFAELP COc1cc2[nH]c(CC[C@H]3CCCC[NH2+]3)[nH+]c2cc1OC ZINC000050927016 523064580 /nfs/dbraw/zinc/06/45/80/523064580.db2.gz SYXSQXYRKYYJTD-LLVKDONJSA-N 2 2 289.379 2.655 10 0 CFAELP C[N@H+](Cc1ccoc1)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052183417 523475704 /nfs/dbraw/zinc/47/57/04/523475704.db2.gz YOPFKCYYPJRDOQ-UHFFFAOYSA-N 2 2 294.439 2.896 10 0 CFAELP C[N@@H+](Cc1ccoc1)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052183417 523475715 /nfs/dbraw/zinc/47/57/15/523475715.db2.gz YOPFKCYYPJRDOQ-UHFFFAOYSA-N 2 2 294.439 2.896 10 0 CFAELP CCn1nc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000231465622 523675087 /nfs/dbraw/zinc/67/50/87/523675087.db2.gz CZBPYZLONBYSEE-CQSZACIVSA-N 2 2 286.423 2.630 10 0 CFAELP CCn1nc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000231465622 523675093 /nfs/dbraw/zinc/67/50/93/523675093.db2.gz CZBPYZLONBYSEE-CQSZACIVSA-N 2 2 286.423 2.630 10 0 CFAELP COc1cccc([C@H](C[NH3+])[NH+]2CCC(C)(C)CC2)c1OC ZINC000061818979 524159477 /nfs/dbraw/zinc/15/94/77/524159477.db2.gz MWUZPPKHNBFWRZ-AWEZNQCLSA-N 2 2 292.423 2.826 10 0 CFAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccc3c(c2)CCO3)[C@@H]1C ZINC000050563778 524244917 /nfs/dbraw/zinc/24/49/17/524244917.db2.gz IWFCZAYQXVQQNZ-IOASZLSFSA-N 2 2 274.408 2.742 10 0 CFAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc3c(c2)CCO3)[C@@H]1C ZINC000050563778 524244925 /nfs/dbraw/zinc/24/49/25/524244925.db2.gz IWFCZAYQXVQQNZ-IOASZLSFSA-N 2 2 274.408 2.742 10 0 CFAELP COc1ccccc1[C@@H](C[NH3+])[NH+]1CCC(C)(C)CC1 ZINC000061818318 524731963 /nfs/dbraw/zinc/73/19/63/524731963.db2.gz FAXMQQPSSWKTTM-CQSZACIVSA-N 2 2 262.397 2.817 10 0 CFAELP C[C@@H]1C[NH+](CC2(C[NH2+]C3CC3)CCCCC2)C[C@@H](C)O1 ZINC000051209837 524935819 /nfs/dbraw/zinc/93/58/19/524935819.db2.gz VIJVLQNSHQFMAY-HUUCEWRRSA-N 2 2 280.456 2.798 10 0 CFAELP C[C@@H]1[C@@H](C)CCC[N@@H+]1[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000050563955 525642939 /nfs/dbraw/zinc/64/29/39/525642939.db2.gz DNDNICDDFKPZOO-SCRDCRAPSA-N 2 2 276.380 2.536 10 0 CFAELP C[C@@H]1[C@@H](C)CCC[N@H+]1[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000050563955 525642946 /nfs/dbraw/zinc/64/29/46/525642946.db2.gz DNDNICDDFKPZOO-SCRDCRAPSA-N 2 2 276.380 2.536 10 0 CFAELP COc1cccc(C[N@H+](C)[C@H](C)C[NH2+]C(C)(C)C)c1 ZINC000052372875 525916806 /nfs/dbraw/zinc/91/68/06/525916806.db2.gz MMSFJJYRLIHUAI-CYBMUJFWSA-N 2 2 264.413 2.904 10 0 CFAELP COc1cccc(C[N@@H+](C)[C@H](C)C[NH2+]C(C)(C)C)c1 ZINC000052372875 525916816 /nfs/dbraw/zinc/91/68/16/525916816.db2.gz MMSFJJYRLIHUAI-CYBMUJFWSA-N 2 2 264.413 2.904 10 0 CFAELP C[C@@H](c1cccs1)[N@H+](C)[C@]1(C[NH3+])CCCSC1 ZINC000061590207 526145735 /nfs/dbraw/zinc/14/57/35/526145735.db2.gz XHQVHHGHEJOTSZ-AAEUAGOBSA-N 2 2 270.467 2.965 10 0 CFAELP C[C@@H](c1cccs1)[N@@H+](C)[C@]1(C[NH3+])CCCSC1 ZINC000061590207 526145743 /nfs/dbraw/zinc/14/57/43/526145743.db2.gz XHQVHHGHEJOTSZ-AAEUAGOBSA-N 2 2 270.467 2.965 10 0 CFAELP Cc1oc(C[N@@H+]2CCOC[C@@H]2C)cc1C[NH2+]CC(C)C ZINC000052475817 526771973 /nfs/dbraw/zinc/77/19/73/526771973.db2.gz AAWAQELEZBMPJZ-ZDUSSCGKSA-N 2 2 280.412 2.554 10 0 CFAELP Cc1oc(C[N@H+]2CCOC[C@@H]2C)cc1C[NH2+]CC(C)C ZINC000052475817 526771979 /nfs/dbraw/zinc/77/19/79/526771979.db2.gz AAWAQELEZBMPJZ-ZDUSSCGKSA-N 2 2 280.412 2.554 10 0 CFAELP Cc1[nH+]ccn1CC[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000049329591 527424483 /nfs/dbraw/zinc/42/44/83/527424483.db2.gz MCKOJIPYFUBPBB-UHFFFAOYSA-N 3 2 278.444 2.565 10 0 CFAELP Cc1[nH+]ccn1CC[N@@H+](CCC[NH3+])C1CCCCCC1 ZINC000049329591 527424487 /nfs/dbraw/zinc/42/44/87/527424487.db2.gz MCKOJIPYFUBPBB-UHFFFAOYSA-N 3 2 278.444 2.565 10 0 CFAELP c1nc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)co1 ZINC000395113775 574348584 /nfs/dbraw/zinc/34/85/84/574348584.db2.gz BVOGDHWIAONJPS-RYQLBKOJSA-N 2 2 297.402 2.675 10 0 CFAELP c1nc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)co1 ZINC000395113775 574348586 /nfs/dbraw/zinc/34/85/86/574348586.db2.gz BVOGDHWIAONJPS-RYQLBKOJSA-N 2 2 297.402 2.675 10 0 CFAELP c1ccc(C[N@H+]2CCCC[C@H]2C[NH2+]C2CSC2)cc1 ZINC000396469957 574355563 /nfs/dbraw/zinc/35/55/63/574355563.db2.gz WJWVJYUCTQALJQ-INIZCTEOSA-N 2 2 276.449 2.746 10 0 CFAELP c1ccc(C[N@@H+]2CCCC[C@H]2C[NH2+]C2CSC2)cc1 ZINC000396469957 574355565 /nfs/dbraw/zinc/35/55/65/574355565.db2.gz WJWVJYUCTQALJQ-INIZCTEOSA-N 2 2 276.449 2.746 10 0 CFAELP CC[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1cccc(Cl)c1 ZINC000399177896 619089119 /nfs/dbraw/zinc/08/91/19/619089119.db2.gz KKCLFSFTTNCSBH-MRXNPFEDSA-N 2 2 296.842 2.837 10 0 CFAELP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000261914676 619313768 /nfs/dbraw/zinc/31/37/68/619313768.db2.gz JSAKWWXSLPELLY-ZDUSSCGKSA-N 2 2 272.314 2.937 10 0 CFAELP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]1C[NH3+] ZINC000261914676 619313769 /nfs/dbraw/zinc/31/37/69/619313769.db2.gz JSAKWWXSLPELLY-ZDUSSCGKSA-N 2 2 272.314 2.937 10 0 CFAELP [NH3+]C[C@]1([NH+](Cc2ccccc2)Cc2ccccc2)CCOC1 ZINC000095831372 185029814 /nfs/dbraw/zinc/02/98/14/185029814.db2.gz KBIFLDWHOGKKAL-LJQANCHMSA-N 2 2 296.414 2.807 10 0 CFAELP Cc1cccc2c(N[C@@H](C)CN3CC[NH+](C)CC3)cc[nH+]c12 ZINC000125082975 187168881 /nfs/dbraw/zinc/16/88/81/187168881.db2.gz JZLHHLKNYWBFNK-HNNXBMFYSA-N 2 2 298.434 2.591 10 0 CFAELP Cc1cccc([C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000157213631 232236225 /nfs/dbraw/zinc/23/62/25/232236225.db2.gz LMYLNSITMRIDLX-CYBMUJFWSA-N 2 2 272.396 2.645 10 0 CFAELP c1cn(CCC[NH2+]Cc2ccnc3ccccc23)c[nH+]1 ZINC000111763238 347756136 /nfs/dbraw/zinc/75/61/36/347756136.db2.gz DSXAAQLJOUHDLE-UHFFFAOYSA-N 2 2 266.348 2.611 10 0 CFAELP CC(C)[N@@H+]1CCC[C@H](Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC000086838368 179351802 /nfs/dbraw/zinc/35/18/02/179351802.db2.gz SUONVGJSNULGQV-AWEZNQCLSA-N 2 2 276.428 2.822 10 0 CFAELP CC(C)[N@H+]1CCC[C@H](Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC000086838368 179351805 /nfs/dbraw/zinc/35/18/05/179351805.db2.gz SUONVGJSNULGQV-AWEZNQCLSA-N 2 2 276.428 2.822 10 0 CFAELP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCCOCC1 ZINC000086870102 179363677 /nfs/dbraw/zinc/36/36/77/179363677.db2.gz YZUVHUPNEBAPEW-CQSZACIVSA-N 2 2 273.380 2.503 10 0 CFAELP C[C@@H]1CSC(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)=[NH+]1 ZINC000307163936 348396677 /nfs/dbraw/zinc/39/66/77/348396677.db2.gz JCXDEZZGZOGIMD-UMVBOHGHSA-N 2 2 289.448 2.730 10 0 CFAELP C[C@@H]1CSC(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)=[NH+]1 ZINC000307163936 348396680 /nfs/dbraw/zinc/39/66/80/348396680.db2.gz JCXDEZZGZOGIMD-UMVBOHGHSA-N 2 2 289.448 2.730 10 0 CFAELP [NH3+]CC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccc(Cl)cc1 ZINC000584595177 348683178 /nfs/dbraw/zinc/68/31/78/348683178.db2.gz YOEYAYDBJSWBSU-JKSUJKDBSA-N 2 2 290.794 2.663 10 0 CFAELP C[C@@H](CCN(C)[NH3+])Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000584637524 348698719 /nfs/dbraw/zinc/69/87/19/348698719.db2.gz WSKVDPIBIOTPEU-JTQLQIEISA-N 2 2 278.787 2.884 10 0 CFAELP CC[NH2+]C[C@](C)(CC)C[N@H+](C)Cc1scnc1C ZINC000104449459 186006190 /nfs/dbraw/zinc/00/61/90/186006190.db2.gz FEYVYOUOLRSARU-AWEZNQCLSA-N 2 2 269.458 2.909 10 0 CFAELP CC[NH2+]C[C@](C)(CC)C[N@@H+](C)Cc1scnc1C ZINC000104449459 186006192 /nfs/dbraw/zinc/00/61/92/186006192.db2.gz FEYVYOUOLRSARU-AWEZNQCLSA-N 2 2 269.458 2.909 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000105897071 186086417 /nfs/dbraw/zinc/08/64/17/186086417.db2.gz FNJADPBYIYYJOC-SJORKVTESA-N 2 2 299.418 2.816 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000105897071 186086419 /nfs/dbraw/zinc/08/64/19/186086419.db2.gz FNJADPBYIYYJOC-SJORKVTESA-N 2 2 299.418 2.816 10 0 CFAELP COc1cc(C)c(C[N@H+](C)CC[NH3+])cc1C(C)C ZINC000107294838 186168554 /nfs/dbraw/zinc/16/85/54/186168554.db2.gz VACIFXZUUHGWND-UHFFFAOYSA-N 2 2 250.386 2.518 10 0 CFAELP COc1cc(C)c(C[N@@H+](C)CC[NH3+])cc1C(C)C ZINC000107294838 186168555 /nfs/dbraw/zinc/16/85/55/186168555.db2.gz VACIFXZUUHGWND-UHFFFAOYSA-N 2 2 250.386 2.518 10 0 CFAELP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c[nH+]c2ccc(C)cn12 ZINC000123460597 187093540 /nfs/dbraw/zinc/09/35/40/187093540.db2.gz BJMVSRRVENLYIF-OAHLLOKOSA-N 2 2 286.423 2.559 10 0 CFAELP CC[N@H+]1CCC[C@@H]1CN(C)Cc1c[nH+]c2ccc(C)cn12 ZINC000123460597 187093541 /nfs/dbraw/zinc/09/35/41/187093541.db2.gz BJMVSRRVENLYIF-OAHLLOKOSA-N 2 2 286.423 2.559 10 0 CFAELP CC[N@@H+]1CCO[C@H](C[NH2+]CC2CCC(C(C)C)CC2)C1 ZINC000312485815 539862757 /nfs/dbraw/zinc/86/27/57/539862757.db2.gz VDTKOHDOSICDMO-OFLPRAFFSA-N 2 2 282.472 2.759 10 0 CFAELP CC[N@H+]1CCO[C@H](C[NH2+]CC2CCC(C(C)C)CC2)C1 ZINC000312485815 539862760 /nfs/dbraw/zinc/86/27/60/539862760.db2.gz VDTKOHDOSICDMO-OFLPRAFFSA-N 2 2 282.472 2.759 10 0 CFAELP Nc1cc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000616618658 352386618 /nfs/dbraw/zinc/38/66/18/352386618.db2.gz QORTZTKQRFLWLB-MRXNPFEDSA-N 2 2 267.376 2.874 10 0 CFAELP Nc1cc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000616618658 352386621 /nfs/dbraw/zinc/38/66/21/352386621.db2.gz QORTZTKQRFLWLB-MRXNPFEDSA-N 2 2 267.376 2.874 10 0 CFAELP C[C@H]1C[N@H+](Cc2c(F)cccc2Cl)C[C@@H]1C[NH3+] ZINC000631845200 355603949 /nfs/dbraw/zinc/60/39/49/355603949.db2.gz VSDOTDDJNMGRFP-UWVGGRQHSA-N 2 2 256.752 2.506 10 0 CFAELP C[C@H]1C[N@@H+](Cc2c(F)cccc2Cl)C[C@@H]1C[NH3+] ZINC000631845200 355603952 /nfs/dbraw/zinc/60/39/52/355603952.db2.gz VSDOTDDJNMGRFP-UWVGGRQHSA-N 2 2 256.752 2.506 10 0 CFAELP FC(F)(F)c1cc[nH+]c(NCC2CC[NH2+]CC2)c1 ZINC000090803829 540379926 /nfs/dbraw/zinc/37/99/26/540379926.db2.gz FZSHXRZJCNFXEU-UHFFFAOYSA-N 2 2 259.275 2.512 10 0 CFAELP Cc1cc([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)ccc1Br ZINC000675055511 540636895 /nfs/dbraw/zinc/63/68/95/540636895.db2.gz UONNVDJXWQJSCH-YPMHNXCESA-N 2 2 283.213 2.852 10 0 CFAELP Cc1cc([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)ccc1Br ZINC000675055511 540636898 /nfs/dbraw/zinc/63/68/98/540636898.db2.gz UONNVDJXWQJSCH-YPMHNXCESA-N 2 2 283.213 2.852 10 0 CFAELP Cc1cc(C[NH2+][C@@H]2C[N@@H+](C)CC2(C)C)ccc1F ZINC000675074631 540672939 /nfs/dbraw/zinc/67/29/39/540672939.db2.gz GYJJWBRXXMVDBS-CQSZACIVSA-N 2 2 250.361 2.564 10 0 CFAELP Cc1cc(C[NH2+][C@@H]2C[N@H+](C)CC2(C)C)ccc1F ZINC000675074631 540672942 /nfs/dbraw/zinc/67/29/42/540672942.db2.gz GYJJWBRXXMVDBS-CQSZACIVSA-N 2 2 250.361 2.564 10 0 CFAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1Cl ZINC000177244856 189039267 /nfs/dbraw/zinc/03/92/67/189039267.db2.gz MBJATGVCMCLZJJ-ZIAGYGMSSA-N 2 2 296.842 2.837 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC000178294742 189104049 /nfs/dbraw/zinc/10/40/49/189104049.db2.gz XATXBZGIRDRPDP-CQSZACIVSA-N 2 2 290.798 2.905 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC000178294742 189104050 /nfs/dbraw/zinc/10/40/50/189104050.db2.gz XATXBZGIRDRPDP-CQSZACIVSA-N 2 2 290.798 2.905 10 0 CFAELP COc1ccc(CC[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178292948 189104162 /nfs/dbraw/zinc/10/41/62/189104162.db2.gz OHEHZNQCIMERFW-QGZVFWFLSA-N 2 2 299.418 2.907 10 0 CFAELP COc1ccc(CC[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178292948 189104163 /nfs/dbraw/zinc/10/41/63/189104163.db2.gz OHEHZNQCIMERFW-QGZVFWFLSA-N 2 2 299.418 2.907 10 0 CFAELP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)s1 ZINC000178336489 189107880 /nfs/dbraw/zinc/10/78/80/189107880.db2.gz VIXHTEPFKSZHMX-CQSZACIVSA-N 2 2 290.436 2.929 10 0 CFAELP Cc1nc(C)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)s1 ZINC000178336489 189107881 /nfs/dbraw/zinc/10/78/81/189107881.db2.gz VIXHTEPFKSZHMX-CQSZACIVSA-N 2 2 290.436 2.929 10 0 CFAELP CCc1nc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1 ZINC000178286068 189102763 /nfs/dbraw/zinc/10/27/63/189102763.db2.gz ZFLBFXGFHQQDPK-CQSZACIVSA-N 2 2 290.436 2.875 10 0 CFAELP CCc1nc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1 ZINC000178286068 189102764 /nfs/dbraw/zinc/10/27/64/189102764.db2.gz ZFLBFXGFHQQDPK-CQSZACIVSA-N 2 2 290.436 2.875 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ncccc2C)C1 ZINC000180481449 189257749 /nfs/dbraw/zinc/25/77/49/189257749.db2.gz KUBAIHSITBZKTB-OAHLLOKOSA-N 2 2 284.407 2.986 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ncccc2C)C1 ZINC000180481449 189257750 /nfs/dbraw/zinc/25/77/50/189257750.db2.gz KUBAIHSITBZKTB-OAHLLOKOSA-N 2 2 284.407 2.986 10 0 CFAELP CCOc1cc([C@@H]([NH3+])C[NH3+])ccc1OCc1ccccc1 ZINC000044470211 373004886 /nfs/dbraw/zinc/00/48/86/373004886.db2.gz KCWMLGDEGXQRDD-HNNXBMFYSA-N 2 2 286.375 2.623 10 0 CFAELP COCC[N@H+](C)CC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000061374965 373715137 /nfs/dbraw/zinc/71/51/37/373715137.db2.gz PRSXTSPBHIMZEQ-CABCVRRESA-N 2 2 270.461 2.759 10 0 CFAELP COCC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000061374965 373715145 /nfs/dbraw/zinc/71/51/45/373715145.db2.gz PRSXTSPBHIMZEQ-CABCVRRESA-N 2 2 270.461 2.759 10 0 CFAELP CCC[C@@H](C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)[NH+](C)C ZINC000094106201 375342643 /nfs/dbraw/zinc/34/26/43/375342643.db2.gz LUAUWKWLGMZGQF-AWEZNQCLSA-N 2 2 286.379 2.746 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOC(C)C)C1 ZINC000105896887 375792413 /nfs/dbraw/zinc/79/24/13/375792413.db2.gz IVKLOIMNNXZWAJ-AWEZNQCLSA-N 2 2 265.401 2.507 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOC(C)C)C1 ZINC000105896887 375792417 /nfs/dbraw/zinc/79/24/17/375792417.db2.gz IVKLOIMNNXZWAJ-AWEZNQCLSA-N 2 2 265.401 2.507 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000119702277 376452751 /nfs/dbraw/zinc/45/27/51/376452751.db2.gz LONIRRGJPSXWNE-OAHLLOKOSA-N 2 2 299.378 2.591 10 0 CFAELP CCC[C@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[NH+](C)C ZINC000161865401 378876800 /nfs/dbraw/zinc/87/68/00/378876800.db2.gz JWSDYOUPCGQJBX-CQSZACIVSA-N 2 2 286.379 2.746 10 0 CFAELP CC[C@H]([NH2+][C@@H](C[NH+](C)C)c1ccccc1)[C@H]1CCOC1 ZINC000163852922 378993155 /nfs/dbraw/zinc/99/31/55/378993155.db2.gz INPSIMWYUCRZHN-ULQDDVLXSA-N 2 2 276.424 2.694 10 0 CFAELP [NH3+]CC[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000168725381 379094001 /nfs/dbraw/zinc/09/40/01/379094001.db2.gz IRUFPBHHPXNSJW-ZDUSSCGKSA-N 2 2 255.365 2.800 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000172163289 379507336 /nfs/dbraw/zinc/50/73/36/379507336.db2.gz VHDOITPRPGADPH-INIZCTEOSA-N 2 2 284.407 2.720 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000172163289 379507344 /nfs/dbraw/zinc/50/73/44/379507344.db2.gz VHDOITPRPGADPH-INIZCTEOSA-N 2 2 284.407 2.720 10 0 CFAELP Cc1cc[nH+]c(N[C@H]2CC[C@H](C[NH3+])C2)c1Br ZINC000335581883 379554182 /nfs/dbraw/zinc/55/41/82/379554182.db2.gz NGUIZYLGWIOSOC-UWVGGRQHSA-N 2 2 284.201 2.692 10 0 CFAELP CC(C)c1nc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)no1 ZINC000183170238 381224507 /nfs/dbraw/zinc/22/45/07/381224507.db2.gz JQZMJGIZTURTDI-ZDUSSCGKSA-N 2 2 289.383 2.617 10 0 CFAELP Cc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1F ZINC000188407100 382408059 /nfs/dbraw/zinc/40/80/59/382408059.db2.gz AYBNOGYRRMWTCY-HNNXBMFYSA-N 2 2 273.355 2.995 10 0 CFAELP C[C@@H]1[C@@H](Nc2ccc[nH+]c2N)CC[N@@H+]1Cc1ccccc1 ZINC000307347921 382466192 /nfs/dbraw/zinc/46/61/92/382466192.db2.gz XWHORVOPVDTUBJ-HIFRSBDPSA-N 2 2 282.391 2.739 10 0 CFAELP C[C@@H]1[C@@H](Nc2ccc[nH+]c2N)CC[N@H+]1Cc1ccccc1 ZINC000307347921 382466199 /nfs/dbraw/zinc/46/61/99/382466199.db2.gz XWHORVOPVDTUBJ-HIFRSBDPSA-N 2 2 282.391 2.739 10 0 CFAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000358411484 382604074 /nfs/dbraw/zinc/60/40/74/382604074.db2.gz YXMIJELNJQHKRV-SUNKGSAMSA-N 2 2 252.789 2.941 10 0 CFAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000358411484 382604077 /nfs/dbraw/zinc/60/40/77/382604077.db2.gz YXMIJELNJQHKRV-SUNKGSAMSA-N 2 2 252.789 2.941 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000389284000 382613394 /nfs/dbraw/zinc/61/33/94/382613394.db2.gz VLJKUKCIEKRSSX-QWRGUYRKSA-N 2 2 252.324 2.791 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000389284000 382613395 /nfs/dbraw/zinc/61/33/95/382613395.db2.gz VLJKUKCIEKRSSX-QWRGUYRKSA-N 2 2 252.324 2.791 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)oc3ccccc32)C1 ZINC000389305694 382614655 /nfs/dbraw/zinc/61/46/55/382614655.db2.gz FHKUIYIVTJMWIM-CYBMUJFWSA-N 2 2 258.365 2.925 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)oc3ccccc32)C1 ZINC000389305694 382614658 /nfs/dbraw/zinc/61/46/58/382614658.db2.gz FHKUIYIVTJMWIM-CYBMUJFWSA-N 2 2 258.365 2.925 10 0 CFAELP C[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000390632943 382618171 /nfs/dbraw/zinc/61/81/71/382618171.db2.gz BSKXGYNMKUIKQY-HOCLYGCPSA-N 2 2 278.440 2.504 10 0 CFAELP C[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000390632943 382618172 /nfs/dbraw/zinc/61/81/72/382618172.db2.gz BSKXGYNMKUIKQY-HOCLYGCPSA-N 2 2 278.440 2.504 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336832020 382726429 /nfs/dbraw/zinc/72/64/29/382726429.db2.gz DWEKTCQBELOOML-XQQFMLRXSA-N 2 2 296.377 2.662 10 0 CFAELP C[NH+](C)C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000224297845 382810452 /nfs/dbraw/zinc/81/04/52/382810452.db2.gz JGAZJRZLVKEBQC-DZGCQCFKSA-N 2 2 264.438 2.632 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227078131 382833179 /nfs/dbraw/zinc/83/31/79/382833179.db2.gz BYJHUMFAGODQQU-JSGCOSHPSA-N 2 2 255.365 2.717 10 0 CFAELP CCN(CC)c1ccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000584463840 383105285 /nfs/dbraw/zinc/10/52/85/383105285.db2.gz JIKCJGMETSQSFC-KBPBESRZSA-N 2 2 276.428 2.728 10 0 CFAELP C[C@@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000249135984 383330646 /nfs/dbraw/zinc/33/06/46/383330646.db2.gz VMWJIZQQHHYWRA-OIISXLGYSA-N 2 2 291.439 2.707 10 0 CFAELP C[C@@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000249135984 383330651 /nfs/dbraw/zinc/33/06/51/383330651.db2.gz VMWJIZQQHHYWRA-OIISXLGYSA-N 2 2 291.439 2.707 10 0 CFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)C2CCSCC2)C1 ZINC000250136541 383372331 /nfs/dbraw/zinc/37/23/31/383372331.db2.gz YEOUTRLHEWEGEH-UMVBOHGHSA-N 2 2 270.486 2.836 10 0 CFAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)C2CCSCC2)C1 ZINC000250136541 383372335 /nfs/dbraw/zinc/37/23/35/383372335.db2.gz YEOUTRLHEWEGEH-UMVBOHGHSA-N 2 2 270.486 2.836 10 0 CFAELP C[C@@H]1CCN(c2[nH+]ccc3ccccc32)C[C@H]1C[NH3+] ZINC000253183064 383447167 /nfs/dbraw/zinc/44/71/67/383447167.db2.gz GEPIIZAEAWEYDI-TZMCWYRMSA-N 2 2 255.365 2.656 10 0 CFAELP C[C@H]1[C@@H]([NH2+]C2CCC([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000261539082 383508348 /nfs/dbraw/zinc/50/83/48/383508348.db2.gz BMPKSIQQRTZZEJ-KUQKPQIMSA-N 3 2 287.451 2.509 10 0 CFAELP C[C@H]1[C@@H]([NH2+]C2CCC([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000261539082 383508353 /nfs/dbraw/zinc/50/83/53/383508353.db2.gz BMPKSIQQRTZZEJ-KUQKPQIMSA-N 3 2 287.451 2.509 10 0 CFAELP Cc1nc2ccc(C[N@@H+]3CCC[C@H]3C[NH3+])cc2s1 ZINC000261652293 383537547 /nfs/dbraw/zinc/53/75/47/383537547.db2.gz BCSNIJDGFLYMDB-LBPRGKRZSA-N 2 2 261.394 2.528 10 0 CFAELP Cc1nc2ccc(C[N@H+]3CCC[C@H]3C[NH3+])cc2s1 ZINC000261652293 383537552 /nfs/dbraw/zinc/53/75/52/383537552.db2.gz BCSNIJDGFLYMDB-LBPRGKRZSA-N 2 2 261.394 2.528 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3coc(-c4cccs4)n3)C[C@H]12 ZINC000261664811 383539685 /nfs/dbraw/zinc/53/96/85/383539685.db2.gz FHZDXHDCZWUHBT-KGYLQXTDSA-N 2 2 289.404 2.572 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3coc(-c4cccs4)n3)C[C@H]12 ZINC000261664811 383539688 /nfs/dbraw/zinc/53/96/88/383539688.db2.gz FHZDXHDCZWUHBT-KGYLQXTDSA-N 2 2 289.404 2.572 10 0 CFAELP CCc1cccc(Cl)c1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261932737 383581694 /nfs/dbraw/zinc/58/16/94/383581694.db2.gz CWGFKTIKYTZMTA-HZMBPMFUSA-N 2 2 252.789 2.681 10 0 CFAELP CCc1cccc(Cl)c1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261932737 383581698 /nfs/dbraw/zinc/58/16/98/383581698.db2.gz CWGFKTIKYTZMTA-HZMBPMFUSA-N 2 2 252.789 2.681 10 0 CFAELP CC(C)COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000262017598 383594930 /nfs/dbraw/zinc/59/49/30/383594930.db2.gz MWCBEDUNNMBMMA-CJNGLKHVSA-N 2 2 262.397 2.500 10 0 CFAELP CC(C)COc1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000262017598 383594935 /nfs/dbraw/zinc/59/49/35/383594935.db2.gz MWCBEDUNNMBMMA-CJNGLKHVSA-N 2 2 262.397 2.500 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000262018897 383596486 /nfs/dbraw/zinc/59/64/86/383596486.db2.gz VYIMOWDOMCJOQG-MRXNPFEDSA-N 2 2 274.408 2.789 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000262018897 383596487 /nfs/dbraw/zinc/59/64/87/383596487.db2.gz VYIMOWDOMCJOQG-MRXNPFEDSA-N 2 2 274.408 2.789 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(-c4cccs4)on3)C[C@@H]12 ZINC000261756423 383554001 /nfs/dbraw/zinc/55/40/01/383554001.db2.gz NIMHPIIOZJTPGB-RAIGVLPGSA-N 2 2 289.404 2.572 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-c4cccs4)on3)C[C@@H]12 ZINC000261756423 383554007 /nfs/dbraw/zinc/55/40/07/383554007.db2.gz NIMHPIIOZJTPGB-RAIGVLPGSA-N 2 2 289.404 2.572 10 0 CFAELP C[C@@H](C[N@@H+]1CCC[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000261787505 383561054 /nfs/dbraw/zinc/56/10/54/383561054.db2.gz FXXLXCBUIBQTPX-SMDDNHRTSA-N 2 2 252.789 2.867 10 0 CFAELP C[C@@H](C[N@H+]1CCC[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000261787505 383561059 /nfs/dbraw/zinc/56/10/59/383561059.db2.gz FXXLXCBUIBQTPX-SMDDNHRTSA-N 2 2 252.789 2.867 10 0 CFAELP Cn1c2ccccc2[nH+]c1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262476795 383623449 /nfs/dbraw/zinc/62/34/49/383623449.db2.gz JQDYRZVJPZUEJD-INIZCTEOSA-N 2 2 292.386 2.872 10 0 CFAELP CCCCc1[nH]c2ccc(NC(=O)[C@@H]([NH3+])CCC)cc2[nH+]1 ZINC000262682875 383635058 /nfs/dbraw/zinc/63/50/58/383635058.db2.gz WTXCHCOILGRUGV-LBPRGKRZSA-N 2 2 288.395 2.971 10 0 CFAELP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000187065227 393550763 /nfs/dbraw/zinc/55/07/63/393550763.db2.gz KJTNOJNHEOLZHL-IRXDYDNUSA-N 2 2 260.425 2.938 10 0 CFAELP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000187065227 393550769 /nfs/dbraw/zinc/55/07/69/393550769.db2.gz KJTNOJNHEOLZHL-IRXDYDNUSA-N 2 2 260.425 2.938 10 0 CFAELP FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000381723497 393567134 /nfs/dbraw/zinc/56/71/34/393567134.db2.gz RVETXZFNBQJBQV-UPJWGTAASA-N 2 2 258.356 2.638 10 0 CFAELP FC1(F)CCCC[C@@H]1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000381723497 393567139 /nfs/dbraw/zinc/56/71/39/393567139.db2.gz RVETXZFNBQJBQV-UPJWGTAASA-N 2 2 258.356 2.638 10 0 CFAELP C[C@@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000190910061 393584725 /nfs/dbraw/zinc/58/47/25/393584725.db2.gz VMWJIZQQHHYWRA-PVAVHDDUSA-N 2 2 291.439 2.707 10 0 CFAELP C[C@@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000190910061 393584727 /nfs/dbraw/zinc/58/47/27/393584727.db2.gz VMWJIZQQHHYWRA-PVAVHDDUSA-N 2 2 291.439 2.707 10 0 CFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCCF)C1 ZINC000195249430 393735718 /nfs/dbraw/zinc/73/57/18/393735718.db2.gz HWPWCSHWGYZVTI-CYBMUJFWSA-N 2 2 285.432 2.565 10 0 CFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCCF)C1 ZINC000195249430 393735724 /nfs/dbraw/zinc/73/57/24/393735724.db2.gz HWPWCSHWGYZVTI-CYBMUJFWSA-N 2 2 285.432 2.565 10 0 CFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCCF)C1 ZINC000195249430 393735729 /nfs/dbraw/zinc/73/57/29/393735729.db2.gz HWPWCSHWGYZVTI-CYBMUJFWSA-N 2 2 285.432 2.565 10 0 CFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCCF)C1 ZINC000195249430 393735734 /nfs/dbraw/zinc/73/57/34/393735734.db2.gz HWPWCSHWGYZVTI-CYBMUJFWSA-N 2 2 285.432 2.565 10 0 CFAELP Cc1cc(N2CCC([NH3+])CC2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070451812 134948150 /nfs/dbraw/zinc/94/81/50/134948150.db2.gz MNBHHBDZCBTTBJ-UHFFFAOYSA-N 2 2 286.354 2.519 10 0 CFAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)C(C)(C)C ZINC000390714598 397543351 /nfs/dbraw/zinc/54/33/51/397543351.db2.gz BUHRZAPFZNQGQL-HOCLYGCPSA-N 2 2 278.440 2.504 10 0 CFAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)C(C)(C)C ZINC000390714598 397543354 /nfs/dbraw/zinc/54/33/54/397543354.db2.gz BUHRZAPFZNQGQL-HOCLYGCPSA-N 2 2 278.440 2.504 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)CC(C)(C)C)cc1 ZINC000020225882 171089725 /nfs/dbraw/zinc/08/97/25/171089725.db2.gz ZNNHGZMZQBHXCB-CQSZACIVSA-N 2 2 250.386 2.673 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)CC(C)(C)C)cc1 ZINC000020225882 171089727 /nfs/dbraw/zinc/08/97/27/171089727.db2.gz ZNNHGZMZQBHXCB-CQSZACIVSA-N 2 2 250.386 2.673 10 0 CFAELP CC(C)c1ccccc1OC[C@@H](C[NH3+])[NH+]1CCCC1 ZINC000020400556 171181385 /nfs/dbraw/zinc/18/13/85/171181385.db2.gz VABVTXBJLAIVRS-CQSZACIVSA-N 2 2 262.397 2.612 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000022164758 171365320 /nfs/dbraw/zinc/36/53/20/171365320.db2.gz SRPKWSSMGNHETK-GXTWGEPZSA-N 2 2 278.396 2.578 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000022164758 171365321 /nfs/dbraw/zinc/36/53/21/171365321.db2.gz SRPKWSSMGNHETK-GXTWGEPZSA-N 2 2 278.396 2.578 10 0 CFAELP CC[NH+](CC)[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000022171647 171368266 /nfs/dbraw/zinc/36/82/66/171368266.db2.gz LZSJONDPHMDYAY-LBPRGKRZSA-N 2 2 258.312 2.630 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000022210134 171373022 /nfs/dbraw/zinc/37/30/22/171373022.db2.gz VSTIECHUWGIMER-XJKCOSOUSA-N 2 2 262.397 2.673 10 0 CFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(F)cc(F)c1 ZINC000035570258 172266435 /nfs/dbraw/zinc/26/64/35/172266435.db2.gz ISKHCRYLSNBJFA-LBPRGKRZSA-N 2 2 251.280 2.581 10 0 CFAELP Cc1ccc(C[N@@H+](C)[C@@]2(C[NH3+])CCCC[C@@H]2C)o1 ZINC000035699544 172367638 /nfs/dbraw/zinc/36/76/38/172367638.db2.gz ADCJRPSEWGUMFA-SWLSCSKDSA-N 2 2 250.386 2.927 10 0 CFAELP Cc1ccc(C[N@H+](C)[C@@]2(C[NH3+])CCCC[C@@H]2C)o1 ZINC000035699544 172367641 /nfs/dbraw/zinc/36/76/41/172367641.db2.gz ADCJRPSEWGUMFA-SWLSCSKDSA-N 2 2 250.386 2.927 10 0 CFAELP Cc1ccc(C[N@@H+](C)[C@H](C[NH3+])C2CCCCC2)o1 ZINC000035699324 172367764 /nfs/dbraw/zinc/36/77/64/172367764.db2.gz OLEUAFOZGOAGEZ-OAHLLOKOSA-N 2 2 250.386 2.927 10 0 CFAELP Cc1ccc(C[N@H+](C)[C@H](C[NH3+])C2CCCCC2)o1 ZINC000035699324 172367767 /nfs/dbraw/zinc/36/77/67/172367767.db2.gz OLEUAFOZGOAGEZ-OAHLLOKOSA-N 2 2 250.386 2.927 10 0 CFAELP C[N@H+](Cc1ccsc1)Cc1ccccc1C(N)=[NH2+] ZINC000035719319 172373986 /nfs/dbraw/zinc/37/39/86/172373986.db2.gz FYYFEEIQDKGMQB-UHFFFAOYSA-N 2 2 259.378 2.664 10 0 CFAELP C[N@@H+](Cc1ccsc1)Cc1ccccc1C(N)=[NH2+] ZINC000035719319 172373989 /nfs/dbraw/zinc/37/39/89/172373989.db2.gz FYYFEEIQDKGMQB-UHFFFAOYSA-N 2 2 259.378 2.664 10 0 CFAELP CCC[N@H+](C(C)C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363766 173153152 /nfs/dbraw/zinc/15/31/52/173153152.db2.gz PAQJYAGSZSCELB-HNNXBMFYSA-N 2 2 262.397 2.742 10 0 CFAELP CCC[N@@H+](C(C)C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363766 173153155 /nfs/dbraw/zinc/15/31/55/173153155.db2.gz PAQJYAGSZSCELB-HNNXBMFYSA-N 2 2 262.397 2.742 10 0 CFAELP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000037490942 173232527 /nfs/dbraw/zinc/23/25/27/173232527.db2.gz TXUMBVRYWZQCFQ-KURKYZTESA-N 2 2 290.451 2.963 10 0 CFAELP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H](C)[NH+]2CCCCC2)CC1 ZINC000038028860 174017966 /nfs/dbraw/zinc/01/79/66/174017966.db2.gz FEKDDEAPCQPNIG-DLBZAZTESA-N 3 2 295.515 2.961 10 0 CFAELP C[C@H](CNc1[nH]c2ccccc2[nH+]1)[NH+]1CCCCC1 ZINC000038029309 174019332 /nfs/dbraw/zinc/01/93/32/174019332.db2.gz VPZIFDIILFSYCR-GFCCVEGCSA-N 2 2 258.369 2.849 10 0 CFAELP COc1ccccc1[C@@H]([NH3+])C[N@H+](C)Cc1ccccc1 ZINC000038137758 174133836 /nfs/dbraw/zinc/13/38/36/174133836.db2.gz BJWSFOUPHLLMRY-INIZCTEOSA-N 2 2 270.376 2.827 10 0 CFAELP COc1ccccc1[C@@H]([NH3+])C[N@@H+](C)Cc1ccccc1 ZINC000038137758 174133837 /nfs/dbraw/zinc/13/38/37/174133837.db2.gz BJWSFOUPHLLMRY-INIZCTEOSA-N 2 2 270.376 2.827 10 0 CFAELP COc1ccc([C@@H]([NH3+])C[N@H+](C)Cc2ccccc2)cc1 ZINC000038137750 174133928 /nfs/dbraw/zinc/13/39/28/174133928.db2.gz LSJMHEGRHDNTKX-KRWDZBQOSA-N 2 2 270.376 2.827 10 0 CFAELP COc1ccc([C@@H]([NH3+])C[N@@H+](C)Cc2ccccc2)cc1 ZINC000038137750 174133929 /nfs/dbraw/zinc/13/39/29/174133929.db2.gz LSJMHEGRHDNTKX-KRWDZBQOSA-N 2 2 270.376 2.827 10 0 CFAELP CC[NH+](CC)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000038827630 174157420 /nfs/dbraw/zinc/15/74/20/174157420.db2.gz YBDLXDJNDOVBOM-LBPRGKRZSA-N 2 2 271.202 2.791 10 0 CFAELP [NH3+]CC[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000040239795 174212624 /nfs/dbraw/zinc/21/26/24/174212624.db2.gz JEBYXWVUCCSSMP-UHFFFAOYSA-N 2 2 250.342 2.603 10 0 CFAELP c1csc(C[NH2+]C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000040397598 174253290 /nfs/dbraw/zinc/25/32/90/174253290.db2.gz ZPNZRSJOGUJQKH-OBJOEFQTSA-N 2 2 250.411 2.758 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000040502876 174298940 /nfs/dbraw/zinc/29/89/40/174298940.db2.gz FTKOGTYVNOADOM-IAGOWNOFSA-N 2 2 258.409 2.618 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000040502876 174298941 /nfs/dbraw/zinc/29/89/41/174298941.db2.gz FTKOGTYVNOADOM-IAGOWNOFSA-N 2 2 258.409 2.618 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2ccccc2OC)C1 ZINC000040502859 174299181 /nfs/dbraw/zinc/29/91/81/174299181.db2.gz IKFLXOLYDPUVEM-HOCLYGCPSA-N 2 2 276.424 2.700 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2ccccc2OC)C1 ZINC000040502859 174299183 /nfs/dbraw/zinc/29/91/83/174299183.db2.gz IKFLXOLYDPUVEM-HOCLYGCPSA-N 2 2 276.424 2.700 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000040502501 174299258 /nfs/dbraw/zinc/29/92/58/174299258.db2.gz MJQUFCVOBOOSOC-GUYCJALGSA-N 2 2 289.423 2.780 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000040502501 174299259 /nfs/dbraw/zinc/29/92/59/174299259.db2.gz MJQUFCVOBOOSOC-GUYCJALGSA-N 2 2 289.423 2.780 10 0 CFAELP Cc1ccc(CN(C)c2[nH+]c(C)cc(C)c2C[NH3+])o1 ZINC000040509417 174303570 /nfs/dbraw/zinc/30/35/70/174303570.db2.gz WTSKNGXKNAAGIP-UHFFFAOYSA-N 2 2 259.353 2.695 10 0 CFAELP C[C@H]([NH2+]CCc1[nH+]ccn1C)c1ccc2c(c1)CCC2 ZINC000040638958 174362709 /nfs/dbraw/zinc/36/27/09/174362709.db2.gz BBYMSXDDARKKCE-ZDUSSCGKSA-N 2 2 269.392 2.802 10 0 CFAELP CC(C)Oc1ccc(C[NH2+]CCc2[nH+]ccn2C)cc1 ZINC000040639123 174363845 /nfs/dbraw/zinc/36/38/45/174363845.db2.gz BNOOYTSGYKADTJ-UHFFFAOYSA-N 2 2 273.380 2.540 10 0 CFAELP COC1CC[NH+]([C@H](C[NH3+])c2cccc(OC(C)C)c2)CC1 ZINC000040641131 174364172 /nfs/dbraw/zinc/36/41/72/174364172.db2.gz PTDKFZGVZKSVFG-QGZVFWFLSA-N 2 2 292.423 2.584 10 0 CFAELP COc1ccc([C@H]([NH2+][C@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000040673019 174371322 /nfs/dbraw/zinc/37/13/22/174371322.db2.gz GUZOAXFYPKADPN-DOTOQJQBSA-N 2 2 274.408 2.830 10 0 CFAELP COc1ccc([C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C2CC2)cc1 ZINC000040673019 174371323 /nfs/dbraw/zinc/37/13/23/174371323.db2.gz GUZOAXFYPKADPN-DOTOQJQBSA-N 2 2 274.408 2.830 10 0 CFAELP COc1ccc(F)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746900 174392273 /nfs/dbraw/zinc/39/22/73/174392273.db2.gz WGULHJLVPMQCJC-YIONKMFJSA-N 2 2 278.371 2.549 10 0 CFAELP COc1ccc(F)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746900 174392275 /nfs/dbraw/zinc/39/22/75/174392275.db2.gz WGULHJLVPMQCJC-YIONKMFJSA-N 2 2 278.371 2.549 10 0 CFAELP CCCc1cc(NCCC[NH+](CC)CC)nc[nH+]1 ZINC000040765566 174397845 /nfs/dbraw/zinc/39/78/45/174397845.db2.gz CNDMEDPICPBVPY-UHFFFAOYSA-N 2 2 250.390 2.573 10 0 CFAELP CCC[NH+]1CCC([C@@H](C)[NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000040767742 174398163 /nfs/dbraw/zinc/39/81/63/174398163.db2.gz YLAQWSXVRKDVDX-QGZVFWFLSA-N 3 2 295.515 2.963 10 0 CFAELP C[C@H]([NH3+])[C@@H](c1cccc(F)c1)[N@H+](C)[C@@H]1CCSC1 ZINC000042971396 174934096 /nfs/dbraw/zinc/93/40/96/174934096.db2.gz LQWXPWSFWWHZIR-GDLCADMTSA-N 2 2 268.401 2.651 10 0 CFAELP C[C@H]([NH3+])[C@@H](c1cccc(F)c1)[N@@H+](C)[C@@H]1CCSC1 ZINC000042971396 174934097 /nfs/dbraw/zinc/93/40/97/174934097.db2.gz LQWXPWSFWWHZIR-GDLCADMTSA-N 2 2 268.401 2.651 10 0 CFAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)C[C@@H]2CCCCO2)c1C ZINC000043314848 175004578 /nfs/dbraw/zinc/00/45/78/175004578.db2.gz OKVQGAAAWPXIFO-DOTOQJQBSA-N 2 2 276.424 2.804 10 0 CFAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCCO2)c1C ZINC000043314848 175004580 /nfs/dbraw/zinc/00/45/80/175004580.db2.gz OKVQGAAAWPXIFO-DOTOQJQBSA-N 2 2 276.424 2.804 10 0 CFAELP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326748 175008066 /nfs/dbraw/zinc/00/80/66/175008066.db2.gz KTCDGRVZXUGGNI-UONOGXRCSA-N 2 2 262.397 2.876 10 0 CFAELP CCOC1CC[NH+]([C@@H](c2ccco2)[C@H]([NH3+])CC)CC1 ZINC000043335497 175011498 /nfs/dbraw/zinc/01/14/98/175011498.db2.gz LHAZBGPAQYXFJL-UKRRQHHQSA-N 2 2 266.385 2.559 10 0 CFAELP Cc1cc2[nH+]cn([C@@H](C[NH3+])c3ccco3)c2cc1C ZINC000043336401 175012522 /nfs/dbraw/zinc/01/25/22/175012522.db2.gz KVEOUPFATIIDBO-AWEZNQCLSA-N 2 2 255.321 2.794 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043339526 175013917 /nfs/dbraw/zinc/01/39/17/175013917.db2.gz TUISOYPMKJNRKA-DLTWYDFYSA-N 2 2 273.424 2.982 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043339526 175013918 /nfs/dbraw/zinc/01/39/18/175013918.db2.gz TUISOYPMKJNRKA-DLTWYDFYSA-N 2 2 273.424 2.982 10 0 CFAELP Cc1cc2[nH+]cn([C@@H](c3cccnc3)[C@H](C)[NH3+])c2cc1C ZINC000043348816 175019146 /nfs/dbraw/zinc/01/91/46/175019146.db2.gz NQZZBDMVBAQIRU-SUMWQHHRSA-N 2 2 280.375 2.985 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)C1CCC(C)CC1 ZINC000043354175 175021305 /nfs/dbraw/zinc/02/13/05/175021305.db2.gz LYCSFJGFTNNWGM-QFXNTCPOSA-N 2 2 261.413 2.980 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)C1CCC(C)CC1 ZINC000043354175 175021306 /nfs/dbraw/zinc/02/13/06/175021306.db2.gz LYCSFJGFTNNWGM-QFXNTCPOSA-N 2 2 261.413 2.980 10 0 CFAELP Cc1cc2[nH+]cn([C@@H](c3ccncc3)[C@@H](C)[NH3+])c2cc1C ZINC000043354929 175022923 /nfs/dbraw/zinc/02/29/23/175022923.db2.gz WPDRSDHGEHQCHB-CXAGYDPISA-N 2 2 280.375 2.985 10 0 CFAELP C[C@@H](C[N@H+](C)Cc1sccc1Br)C(N)=[NH2+] ZINC000043675702 175088269 /nfs/dbraw/zinc/08/82/69/175088269.db2.gz GGNHLAXPEBWZAE-ZETCQYMHSA-N 2 2 290.230 2.514 10 0 CFAELP C[C@@H](C[N@@H+](C)Cc1sccc1Br)C(N)=[NH2+] ZINC000043675702 175088270 /nfs/dbraw/zinc/08/82/70/175088270.db2.gz GGNHLAXPEBWZAE-ZETCQYMHSA-N 2 2 290.230 2.514 10 0 CFAELP CCC[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCOCC2)c1 ZINC000043808787 175109408 /nfs/dbraw/zinc/10/94/08/175109408.db2.gz UCCZODAITWTBKA-AWEZNQCLSA-N 2 2 292.423 2.588 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811610 175111003 /nfs/dbraw/zinc/11/10/03/175111003.db2.gz YHQVXZXMSQHUIN-FZKCQIBNSA-N 2 2 268.445 2.797 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811610 175111004 /nfs/dbraw/zinc/11/10/04/175111004.db2.gz YHQVXZXMSQHUIN-FZKCQIBNSA-N 2 2 268.445 2.797 10 0 CFAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000043818805 175114202 /nfs/dbraw/zinc/11/42/02/175114202.db2.gz ZKEKKBIKGZFNRY-OIISXLGYSA-N 2 2 275.440 2.723 10 0 CFAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818805 175114203 /nfs/dbraw/zinc/11/42/03/175114203.db2.gz ZKEKKBIKGZFNRY-OIISXLGYSA-N 2 2 275.440 2.723 10 0 CFAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](CC)C1CCCC1)OCCO2 ZINC000043890746 175118252 /nfs/dbraw/zinc/11/82/52/175118252.db2.gz SUDRJQGVCJNQRX-HZPDHXFCSA-N 2 2 296.455 2.525 10 0 CFAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](CC)C1CCCC1)OCCO2 ZINC000043890746 175118253 /nfs/dbraw/zinc/11/82/53/175118253.db2.gz SUDRJQGVCJNQRX-HZPDHXFCSA-N 2 2 296.455 2.525 10 0 CFAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)CCc1ccncc1 ZINC000043902045 175121678 /nfs/dbraw/zinc/12/16/78/175121678.db2.gz UHOJWBWMESIZPL-OIISXLGYSA-N 2 2 275.440 2.723 10 0 CFAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902045 175121679 /nfs/dbraw/zinc/12/16/79/175121679.db2.gz UHOJWBWMESIZPL-OIISXLGYSA-N 2 2 275.440 2.723 10 0 CFAELP CCC[NH2+][C@H](CC)[C@@H](C)[NH+]1CCC(OCC)CC1 ZINC000043907578 175123131 /nfs/dbraw/zinc/12/31/31/175123131.db2.gz BIOODKMSIKJSLV-UKRRQHHQSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H](CC)[C@H](C)[NH+]1CCC(OCC)CC1 ZINC000043907585 175123388 /nfs/dbraw/zinc/12/33/88/175123388.db2.gz BIOODKMSIKJSLV-DZGCQCFKSA-N 2 2 256.434 2.654 10 0 CFAELP C[NH2+][C@@H](C[N@H+](C)Cc1ccc(F)cc1)C(C)(C)C ZINC000043910958 175123582 /nfs/dbraw/zinc/12/35/82/175123582.db2.gz XJHTUWYQRJWDCS-AWEZNQCLSA-N 2 2 252.377 2.892 10 0 CFAELP C[NH2+][C@@H](C[N@@H+](C)Cc1ccc(F)cc1)C(C)(C)C ZINC000043910958 175123583 /nfs/dbraw/zinc/12/35/83/175123583.db2.gz XJHTUWYQRJWDCS-AWEZNQCLSA-N 2 2 252.377 2.892 10 0 CFAELP CC[NH2+][C@H]1CCC[C@H]1[N@H+](C)Cc1cccc(OC)c1 ZINC000043911914 175123781 /nfs/dbraw/zinc/12/37/81/175123781.db2.gz WNRHIIAVUNNHER-JKSUJKDBSA-N 2 2 262.397 2.658 10 0 CFAELP CC[NH2+][C@H]1CCC[C@H]1[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911914 175123782 /nfs/dbraw/zinc/12/37/82/175123782.db2.gz WNRHIIAVUNNHER-JKSUJKDBSA-N 2 2 262.397 2.658 10 0 CFAELP CCC[NH2+][C@@H](C)CC[N@H+](C)Cc1ccccc1OC ZINC000043912350 175123881 /nfs/dbraw/zinc/12/38/81/175123881.db2.gz SXDKGKLJFBPYII-AWEZNQCLSA-N 2 2 264.413 2.905 10 0 CFAELP CCC[NH2+][C@@H](C)CC[N@@H+](C)Cc1ccccc1OC ZINC000043912350 175123882 /nfs/dbraw/zinc/12/38/82/175123882.db2.gz SXDKGKLJFBPYII-AWEZNQCLSA-N 2 2 264.413 2.905 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+]1C[C@@H](C)OC[C@@H]1CC)C(C)(C)C ZINC000043914066 175124119 /nfs/dbraw/zinc/12/41/19/175124119.db2.gz CBJVRWMNTLABGB-RDBSUJKOSA-N 2 2 256.434 2.510 10 0 CFAELP CC[NH2+][C@@H](C[N@H+]1C[C@@H](C)OC[C@@H]1CC)C(C)(C)C ZINC000043914066 175124121 /nfs/dbraw/zinc/12/41/21/175124121.db2.gz CBJVRWMNTLABGB-RDBSUJKOSA-N 2 2 256.434 2.510 10 0 CFAELP CCC[NH2+][C@@H](CCC)[C@H](CC)[NH+](CCOC)CCOC ZINC000043912966 175124357 /nfs/dbraw/zinc/12/43/57/175124357.db2.gz LIHFDZOYOUEAPC-HOTGVXAUSA-N 2 2 288.476 2.528 10 0 CFAELP CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1[N@H+](C)CCOC ZINC000043915879 175124888 /nfs/dbraw/zinc/12/48/88/175124888.db2.gz KUGKNLPFZDGGOE-KURKYZTESA-N 2 2 290.451 2.879 10 0 CFAELP CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1[N@@H+](C)CCOC ZINC000043915879 175124889 /nfs/dbraw/zinc/12/48/89/175124889.db2.gz KUGKNLPFZDGGOE-KURKYZTESA-N 2 2 290.451 2.879 10 0 CFAELP CC[NH2+][C@@H](C[N@H+](C)CCOC)C12CC3CC(CC(C3)C1)C2 ZINC000043915902 175124977 /nfs/dbraw/zinc/12/49/77/175124977.db2.gz SNCRAWGEIKLKNI-LESVLKBLSA-N 2 2 294.483 2.759 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+](C)CCOC)C12CC3CC(CC(C3)C1)C2 ZINC000043915902 175124979 /nfs/dbraw/zinc/12/49/79/175124979.db2.gz SNCRAWGEIKLKNI-LESVLKBLSA-N 2 2 294.483 2.759 10 0 CFAELP CCC[C@@H]1CC[C@H]([NH2+]CC)[C@H]([N@H+](C)CCOC)C1 ZINC000043916155 175125111 /nfs/dbraw/zinc/12/51/11/175125111.db2.gz ZSFGQPPXGIIZHL-QLFBSQMISA-N 2 2 256.434 2.512 10 0 CFAELP CCC[C@@H]1CC[C@H]([NH2+]CC)[C@H]([N@@H+](C)CCOC)C1 ZINC000043916155 175125112 /nfs/dbraw/zinc/12/51/12/175125112.db2.gz ZSFGQPPXGIIZHL-QLFBSQMISA-N 2 2 256.434 2.512 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+]1CCOCC1(C)C ZINC000043916985 175125921 /nfs/dbraw/zinc/12/59/21/175125921.db2.gz CDAGSITXRGRWTN-CABCVRRESA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+]1CCOCC1(C)C ZINC000043916985 175125923 /nfs/dbraw/zinc/12/59/23/175125923.db2.gz CDAGSITXRGRWTN-CABCVRRESA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H]1CCCC[C@@H]1[N@H+](CC)Cc1ccncc1 ZINC000043968914 175129704 /nfs/dbraw/zinc/12/97/04/175129704.db2.gz CQZGBNOSXVDCMM-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](CC)Cc1ccncc1 ZINC000043968914 175129706 /nfs/dbraw/zinc/12/97/06/175129706.db2.gz CQZGBNOSXVDCMM-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@@H](C[N@H+](C)[C@@H](C)COC)c1cc(C)ccc1C ZINC000043969094 175130809 /nfs/dbraw/zinc/13/08/09/175130809.db2.gz IWLHYHFWXXMDDZ-HOCLYGCPSA-N 2 2 264.413 2.531 10 0 CFAELP C[NH2+][C@@H](C[N@@H+](C)[C@@H](C)COC)c1cc(C)ccc1C ZINC000043969094 175130811 /nfs/dbraw/zinc/13/08/11/175130811.db2.gz IWLHYHFWXXMDDZ-HOCLYGCPSA-N 2 2 264.413 2.531 10 0 CFAELP C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)[N@H+](C)[C@@H](C)COC ZINC000043969098 175130813 /nfs/dbraw/zinc/13/08/13/175130813.db2.gz DEVUOXLKQMRDIM-DZKIICNBSA-N 2 2 264.413 2.611 10 0 CFAELP C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)[N@@H+](C)[C@@H](C)COC ZINC000043969098 175130815 /nfs/dbraw/zinc/13/08/15/175130815.db2.gz DEVUOXLKQMRDIM-DZKIICNBSA-N 2 2 264.413 2.611 10 0 CFAELP C[NH2+][C@@H]1c2ccccc2CCC[C@H]1[N@H+](CCOC)C1CC1 ZINC000043969593 175130858 /nfs/dbraw/zinc/13/08/58/175130858.db2.gz RQGPFJYZFMNJCW-QZTJIDSGSA-N 2 2 288.435 2.763 10 0 CFAELP C[NH2+][C@@H]1c2ccccc2CCC[C@H]1[N@@H+](CCOC)C1CC1 ZINC000043969593 175130859 /nfs/dbraw/zinc/13/08/59/175130859.db2.gz RQGPFJYZFMNJCW-QZTJIDSGSA-N 2 2 288.435 2.763 10 0 CFAELP CC[NH2+][C@@H](C[N@H+](CC)[C@@H](C)COC)c1ccc(OC)cc1 ZINC000043981415 175134272 /nfs/dbraw/zinc/13/42/72/175134272.db2.gz PHEUNJSAFGJAML-YOEHRIQHSA-N 2 2 294.439 2.703 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+](CC)[C@@H](C)COC)c1ccc(OC)cc1 ZINC000043981415 175134273 /nfs/dbraw/zinc/13/42/73/175134273.db2.gz PHEUNJSAFGJAML-YOEHRIQHSA-N 2 2 294.439 2.703 10 0 CFAELP CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1OCC ZINC000043993040 175135828 /nfs/dbraw/zinc/13/58/28/175135828.db2.gz JPMRAZLXEHQHAZ-AWEZNQCLSA-N 2 2 259.353 2.633 10 0 CFAELP CCOc1ccc([C@@H](C)[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000044540147 175200779 /nfs/dbraw/zinc/20/07/79/175200779.db2.gz ZNZHBNDHPPMITK-UKRRQHHQSA-N 2 2 262.397 2.960 10 0 CFAELP CCOc1ccc([C@@H](C)[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000044540147 175200781 /nfs/dbraw/zinc/20/07/81/175200781.db2.gz ZNZHBNDHPPMITK-UKRRQHHQSA-N 2 2 262.397 2.960 10 0 CFAELP CC(C)c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000044562342 175205928 /nfs/dbraw/zinc/20/59/28/175205928.db2.gz OPZJBAZXSCWSES-ZWKOTPCHSA-N 2 2 290.451 2.917 10 0 CFAELP CC(C)c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2C)cc1 ZINC000044562342 175205931 /nfs/dbraw/zinc/20/59/31/175205931.db2.gz OPZJBAZXSCWSES-ZWKOTPCHSA-N 2 2 290.451 2.917 10 0 CFAELP Cc1nc(CN(C)c2[nH+]c(C)cc(C)c2C[NH3+])cs1 ZINC000044594927 175215052 /nfs/dbraw/zinc/21/50/52/175215052.db2.gz UHOYLHCEJUZQDD-UHFFFAOYSA-N 2 2 276.409 2.558 10 0 CFAELP c1ccc([C@H]2C[C@H]2[NH2+]C[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000044675955 175227162 /nfs/dbraw/zinc/22/71/62/175227162.db2.gz VFSXISXPPHCWIC-IPMKNSEASA-N 2 2 278.399 2.847 10 0 CFAELP COc1ccc(C2CC([NH2+][C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000044685976 175231079 /nfs/dbraw/zinc/23/10/79/175231079.db2.gz IVHWNLDVIANVNZ-PCKAHOCUSA-N 2 2 286.419 2.768 10 0 CFAELP COc1ccc(C2CC([NH2+][C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000044685976 175231081 /nfs/dbraw/zinc/23/10/81/175231081.db2.gz IVHWNLDVIANVNZ-PCKAHOCUSA-N 2 2 286.419 2.768 10 0 CFAELP Cc1c(C)n(C[C@@H](C)[NH+]2CCCCC2)c2nc[nH+]c(N)c12 ZINC000045006777 175288957 /nfs/dbraw/zinc/28/89/57/175288957.db2.gz GWGAAEIMINKJII-LLVKDONJSA-N 2 2 287.411 2.505 10 0 CFAELP Oc1cccc2c1CC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000045105957 175307642 /nfs/dbraw/zinc/30/76/42/175307642.db2.gz CVVFLJPCOQPGEY-HNNXBMFYSA-N 2 2 271.364 2.646 10 0 CFAELP CC(C)[N@@H+]1CC[C@@H](CNc2ccc3cc(N)ccc3[nH+]2)C1 ZINC000045118664 175311424 /nfs/dbraw/zinc/31/14/24/175311424.db2.gz AMCOVZVLNKLNNJ-ZDUSSCGKSA-N 2 2 284.407 2.959 10 0 CFAELP CC(C)[N@H+]1CC[C@@H](CNc2ccc3cc(N)ccc3[nH+]2)C1 ZINC000045118664 175311425 /nfs/dbraw/zinc/31/14/25/175311425.db2.gz AMCOVZVLNKLNNJ-ZDUSSCGKSA-N 2 2 284.407 2.959 10 0 CFAELP CC1(C)C[C@@H]1[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000045117950 175311814 /nfs/dbraw/zinc/31/18/14/175311814.db2.gz CTGYPGHHXGSZAO-HOTGVXAUSA-N 2 2 258.409 2.692 10 0 CFAELP CC1(C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000045117950 175311815 /nfs/dbraw/zinc/31/18/15/175311815.db2.gz CTGYPGHHXGSZAO-HOTGVXAUSA-N 2 2 258.409 2.692 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[NH+]1CCCCCCC1)C(=O)OC ZINC000045371441 175364132 /nfs/dbraw/zinc/36/41/32/175364132.db2.gz MMCBCMNMAZDYND-KRWDZBQOSA-N 2 2 298.471 2.964 10 0 CFAELP CC[NH2+][C@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376078 175366564 /nfs/dbraw/zinc/36/65/64/175366564.db2.gz DUACBFKLRWOEHS-GOEBONIOSA-N 2 2 284.444 2.572 10 0 CFAELP CC[NH2+][C@](C)(CCCC[N@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376078 175366565 /nfs/dbraw/zinc/36/65/65/175366565.db2.gz DUACBFKLRWOEHS-GOEBONIOSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](CC)c1ccccc1 ZINC000045379921 175369120 /nfs/dbraw/zinc/36/91/20/175369120.db2.gz ASVATECVWJELNY-MRXNPFEDSA-N 2 2 278.396 2.574 10 0 CFAELP CCOC(=O)[C@](C)([NH3+])CCC[N@@H+](CC)c1ccccc1 ZINC000045379921 175369121 /nfs/dbraw/zinc/36/91/21/175369121.db2.gz ASVATECVWJELNY-MRXNPFEDSA-N 2 2 278.396 2.574 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@H+](CC)C(C)C)[NH2+]C1CC1 ZINC000045383905 175370988 /nfs/dbraw/zinc/37/09/88/175370988.db2.gz HYEVVMYHPHSPJY-MRXNPFEDSA-N 2 2 284.444 2.571 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@@H+](CC)C(C)C)[NH2+]C1CC1 ZINC000045383905 175370989 /nfs/dbraw/zinc/37/09/89/175370989.db2.gz HYEVVMYHPHSPJY-MRXNPFEDSA-N 2 2 284.444 2.571 10 0 CFAELP CCC[N@H+](CC)CCCC[C@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045386977 175373394 /nfs/dbraw/zinc/37/33/94/175373394.db2.gz GKIKUKIOLZUPKS-KRWDZBQOSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[N@@H+](CC)CCCC[C@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045386977 175373396 /nfs/dbraw/zinc/37/33/96/175373396.db2.gz GKIKUKIOLZUPKS-KRWDZBQOSA-N 2 2 298.471 2.962 10 0 CFAELP CCC(CC)[N@H+](C)CCC[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000045391669 175374294 /nfs/dbraw/zinc/37/42/94/175374294.db2.gz PQJOEWSIXSUYMC-MRXNPFEDSA-N 2 2 284.444 2.571 10 0 CFAELP CCC(CC)[N@@H+](C)CCC[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000045391669 175374296 /nfs/dbraw/zinc/37/42/96/175374296.db2.gz PQJOEWSIXSUYMC-MRXNPFEDSA-N 2 2 284.444 2.571 10 0 CFAELP CC(C)Oc1ccccc1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000045946381 175388033 /nfs/dbraw/zinc/38/80/33/175388033.db2.gz QVNLOHVQKHEGQJ-UHFFFAOYSA-N 2 2 259.353 2.529 10 0 CFAELP CC(C)Oc1ccccc1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000045946381 175388034 /nfs/dbraw/zinc/38/80/34/175388034.db2.gz QVNLOHVQKHEGQJ-UHFFFAOYSA-N 2 2 259.353 2.529 10 0 CFAELP CCC[N@H+]([C@@H](C)c1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000071314519 176120883 /nfs/dbraw/zinc/12/08/83/176120883.db2.gz OSNPRNXSSSCNJB-WFASDCNBSA-N 2 2 250.361 2.961 10 0 CFAELP CCC[N@@H+]([C@@H](C)c1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000071314519 176120884 /nfs/dbraw/zinc/12/08/84/176120884.db2.gz OSNPRNXSSSCNJB-WFASDCNBSA-N 2 2 250.361 2.961 10 0 CFAELP CC(C)COc1ccc([C@@H]([C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000071572704 176198754 /nfs/dbraw/zinc/19/87/54/176198754.db2.gz BQTYFOPHWFBYTL-IUODEOHRSA-N 2 2 250.386 2.671 10 0 CFAELP CC(C)COc1ccc([C@@H]([NH3+])C[NH+]2CCCC2)cc1 ZINC000071594613 176217661 /nfs/dbraw/zinc/21/76/61/176217661.db2.gz ASEWYPXFOHHTRP-INIZCTEOSA-N 2 2 262.397 2.817 10 0 CFAELP [NH3+]CCc1cn(Cc2ccc(Cl)cc2Cl)c[nH+]1 ZINC000071601263 176228121 /nfs/dbraw/zinc/22/81/21/176228121.db2.gz OLBJRWZIQABKIB-UHFFFAOYSA-N 2 2 270.163 2.739 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000211744091 276178919 /nfs/dbraw/zinc/17/89/19/276178919.db2.gz UWHOGPHQFMGXFM-BLLLJJGKSA-N 2 2 262.372 2.887 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000211744091 276178920 /nfs/dbraw/zinc/17/89/20/276178920.db2.gz UWHOGPHQFMGXFM-BLLLJJGKSA-N 2 2 262.372 2.887 10 0 CFAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000358379669 288091569 /nfs/dbraw/zinc/09/15/69/288091569.db2.gz KPWWVJQOEXTVKA-YUELXQCFSA-N 2 2 274.408 2.829 10 0 CFAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000358379669 288091571 /nfs/dbraw/zinc/09/15/71/288091571.db2.gz KPWWVJQOEXTVKA-YUELXQCFSA-N 2 2 274.408 2.829 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000246970704 281001750 /nfs/dbraw/zinc/00/17/50/281001750.db2.gz JDKYJTAVACJKEU-ZBFHGGJFSA-N 2 2 262.372 2.887 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000246970704 281001753 /nfs/dbraw/zinc/00/17/53/281001753.db2.gz JDKYJTAVACJKEU-ZBFHGGJFSA-N 2 2 262.372 2.887 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000249390688 281056485 /nfs/dbraw/zinc/05/64/85/281056485.db2.gz RVILXKAPNBRLMG-HUUCEWRRSA-N 2 2 277.412 2.652 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000249390688 281056487 /nfs/dbraw/zinc/05/64/87/281056487.db2.gz RVILXKAPNBRLMG-HUUCEWRRSA-N 2 2 277.412 2.652 10 0 CFAELP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)s1 ZINC000396703837 281197250 /nfs/dbraw/zinc/19/72/50/281197250.db2.gz IACDMELCQDSXPZ-UBHAPETDSA-N 2 2 253.415 2.551 10 0 CFAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccc(F)cc1F ZINC000396692432 281197314 /nfs/dbraw/zinc/19/73/14/281197314.db2.gz ZLKPNJUUXJQVBP-RBZYPMLTSA-N 2 2 254.324 2.756 10 0 CFAELP CC(C)[NH2+]CC1(C[N@H+](C)Cc2ccoc2)CCOCC1 ZINC000052183410 519719929 /nfs/dbraw/zinc/71/99/29/519719929.db2.gz CCWNOGRVAKWHGZ-UHFFFAOYSA-N 2 2 280.412 2.506 10 0 CFAELP CC(C)[NH2+]CC1(C[N@@H+](C)Cc2ccoc2)CCOCC1 ZINC000052183410 519719932 /nfs/dbraw/zinc/71/99/32/519719932.db2.gz CCWNOGRVAKWHGZ-UHFFFAOYSA-N 2 2 280.412 2.506 10 0 CFAELP CC(C)C[NH2+]C[C@@H](C(C)C)[N@H+](C)Cc1ccncc1 ZINC000052480855 519744336 /nfs/dbraw/zinc/74/43/36/519744336.db2.gz RQYHBRHKHTZEIK-INIZCTEOSA-N 2 2 263.429 2.784 10 0 CFAELP CC(C)C[NH2+]C[C@@H](C(C)C)[N@@H+](C)Cc1ccncc1 ZINC000052480855 519744337 /nfs/dbraw/zinc/74/43/37/519744337.db2.gz RQYHBRHKHTZEIK-INIZCTEOSA-N 2 2 263.429 2.784 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@@H](C[NH3+])c1ccccc1OC ZINC000069427904 521309824 /nfs/dbraw/zinc/30/98/24/521309824.db2.gz IIPVKQFWUWXHCX-ZDUSSCGKSA-N 2 2 250.386 2.815 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@@H](C[NH3+])c1ccccc1OC ZINC000069427904 521309835 /nfs/dbraw/zinc/30/98/35/521309835.db2.gz IIPVKQFWUWXHCX-ZDUSSCGKSA-N 2 2 250.386 2.815 10 0 CFAELP C[NH2+]Cc1nc(C[NH+]2CCCCCCC2)cs1 ZINC000052424795 522152145 /nfs/dbraw/zinc/15/21/45/522152145.db2.gz PUCISAWVGIPLKO-UHFFFAOYSA-N 2 2 253.415 2.629 10 0 CFAELP CC(C)(C)[NH2+]Cc1coc(C[N@@H+]2CCOC(C)(C)C2)c1 ZINC000052481849 518768972 /nfs/dbraw/zinc/76/89/72/518768972.db2.gz WWMNMFJPDLNKRQ-UHFFFAOYSA-N 2 2 280.412 2.779 10 0 CFAELP CC(C)(C)[NH2+]Cc1coc(C[N@H+]2CCOC(C)(C)C2)c1 ZINC000052481849 518768974 /nfs/dbraw/zinc/76/89/74/518768974.db2.gz WWMNMFJPDLNKRQ-UHFFFAOYSA-N 2 2 280.412 2.779 10 0 CFAELP CC(C)C[C@@H]1C[N@H+](CCc2ccccc2)CCC[NH2+]1 ZINC000062657656 519271008 /nfs/dbraw/zinc/27/10/08/519271008.db2.gz MYUZNQIKQLDOLU-QGZVFWFLSA-N 2 2 260.425 2.939 10 0 CFAELP CC(C)C[C@@H]1C[N@@H+](CCc2ccccc2)CCC[NH2+]1 ZINC000062657656 519271011 /nfs/dbraw/zinc/27/10/11/519271011.db2.gz MYUZNQIKQLDOLU-QGZVFWFLSA-N 2 2 260.425 2.939 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]CC1(O)CCCCCC1 ZINC000049555624 519340974 /nfs/dbraw/zinc/34/09/74/519340974.db2.gz AJQOWFJHXNYOHL-OAHLLOKOSA-N 2 2 270.461 2.638 10 0 CFAELP CC(C)C1CCC(C[NH3+])([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000054556936 519561494 /nfs/dbraw/zinc/56/14/94/519561494.db2.gz CIFOPNHLSDEWHW-PJPHBNEVSA-N 2 2 268.445 2.639 10 0 CFAELP CC(C)[NH2+]C[C@H](C(C)C)[N@H+](C)CCc1ccncc1 ZINC000052483013 519724278 /nfs/dbraw/zinc/72/42/78/519724278.db2.gz OBOIJKCEBOAMIZ-MRXNPFEDSA-N 2 2 263.429 2.579 10 0 CFAELP CC(C)[NH2+]C[C@H](C(C)C)[N@@H+](C)CCc1ccncc1 ZINC000052483013 519724279 /nfs/dbraw/zinc/72/42/79/519724279.db2.gz OBOIJKCEBOAMIZ-MRXNPFEDSA-N 2 2 263.429 2.579 10 0 CFAELP CC(C)[NH2+]C[C@H](C(C)C)[N@H+](C)CCc1ccccn1 ZINC000052423726 519724291 /nfs/dbraw/zinc/72/42/91/519724291.db2.gz AHHZLAPGDKBWCW-MRXNPFEDSA-N 2 2 263.429 2.579 10 0 CFAELP CC(C)[NH2+]C[C@H](C(C)C)[N@@H+](C)CCc1ccccn1 ZINC000052423726 519724293 /nfs/dbraw/zinc/72/42/93/519724293.db2.gz AHHZLAPGDKBWCW-MRXNPFEDSA-N 2 2 263.429 2.579 10 0 CFAELP CC(C)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000053012369 519744985 /nfs/dbraw/zinc/74/49/85/519744985.db2.gz KHKBJEDJFVMQKO-AWEZNQCLSA-N 2 2 264.388 2.893 10 0 CFAELP CC(C)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000053012369 519744987 /nfs/dbraw/zinc/74/49/87/519744987.db2.gz KHKBJEDJFVMQKO-AWEZNQCLSA-N 2 2 264.388 2.893 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000049196132 519793865 /nfs/dbraw/zinc/79/38/65/519793865.db2.gz GJVMMMAMQRQLKM-IUODEOHRSA-N 2 2 250.386 2.629 10 0 CFAELP CCC[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374746 519919540 /nfs/dbraw/zinc/91/95/40/519919540.db2.gz NSLQJOKIUNPSTG-OAHLLOKOSA-N 2 2 293.430 2.726 10 0 CFAELP CCC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(OC)CC1 ZINC000052455488 519922395 /nfs/dbraw/zinc/92/23/95/519922395.db2.gz PNXKLDXNWCFWRQ-KRWDZBQOSA-N 2 2 276.424 2.838 10 0 CFAELP CC[NH2+]C[C@@H](C)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000052443382 519942637 /nfs/dbraw/zinc/94/26/37/519942637.db2.gz WMOGXJWFINXKLG-CQSZACIVSA-N 2 2 295.858 2.708 10 0 CFAELP CC[NH2+]C[C@H](C)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000052443383 519969293 /nfs/dbraw/zinc/96/92/93/519969293.db2.gz WMOGXJWFINXKLG-AWEZNQCLSA-N 2 2 295.858 2.708 10 0 CFAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](CC)C2)C12CCCC2 ZINC000224457899 520373336 /nfs/dbraw/zinc/37/33/36/520373336.db2.gz VOOVBFUMEHPWAH-BZUAXINKSA-N 2 2 280.456 2.798 10 0 CFAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](CC)C2)C12CCCC2 ZINC000224457899 520373342 /nfs/dbraw/zinc/37/33/42/520373342.db2.gz VOOVBFUMEHPWAH-BZUAXINKSA-N 2 2 280.456 2.798 10 0 CFAELP CC[N@H+](CC1CC1)[C@@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000069237375 520967342 /nfs/dbraw/zinc/96/73/42/520967342.db2.gz IMWJJKDMXLVRNH-KRWDZBQOSA-N 2 2 284.407 2.604 10 0 CFAELP CC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000069237375 520967351 /nfs/dbraw/zinc/96/73/51/520967351.db2.gz IMWJJKDMXLVRNH-KRWDZBQOSA-N 2 2 284.407 2.604 10 0 CFAELP CC[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000069237424 520968803 /nfs/dbraw/zinc/96/88/03/520968803.db2.gz XBNGOZBTZWYJSK-CQSZACIVSA-N 2 2 254.324 2.697 10 0 CFAELP CC[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000069237424 520968811 /nfs/dbraw/zinc/96/88/11/520968811.db2.gz XBNGOZBTZWYJSK-CQSZACIVSA-N 2 2 254.324 2.697 10 0 CFAELP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H](C)C1)[C@@H](C)COC ZINC000053391206 521081243 /nfs/dbraw/zinc/08/12/43/521081243.db2.gz KNRUJBKLCWGYEO-SOUVJXGZSA-N 2 2 256.434 2.512 10 0 CFAELP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H](C)C1)[C@@H](C)COC ZINC000053391206 521081236 /nfs/dbraw/zinc/08/12/36/521081236.db2.gz KNRUJBKLCWGYEO-SOUVJXGZSA-N 2 2 256.434 2.512 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2c[nH]c3ccccc23)C1 ZINC000049591434 521624650 /nfs/dbraw/zinc/62/46/50/521624650.db2.gz SDAAZZLKQIBBEH-CQSZACIVSA-N 2 2 257.381 2.742 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2c[nH]c3ccccc23)C1 ZINC000049591434 521624656 /nfs/dbraw/zinc/62/46/56/521624656.db2.gz SDAAZZLKQIBBEH-CQSZACIVSA-N 2 2 257.381 2.742 10 0 CFAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1F ZINC000054601370 521953300 /nfs/dbraw/zinc/95/33/00/521953300.db2.gz GJDBIYMVVJTKQV-GOOCMWNKSA-N 2 2 262.372 2.931 10 0 CFAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1F ZINC000054601370 521953303 /nfs/dbraw/zinc/95/33/03/521953303.db2.gz GJDBIYMVVJTKQV-GOOCMWNKSA-N 2 2 262.372 2.931 10 0 CFAELP C[N@H+](C1CCOCC1)C1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000069374432 522415392 /nfs/dbraw/zinc/41/53/92/522415392.db2.gz DBUWSCRQTPCEOQ-UHFFFAOYSA-N 2 2 294.361 2.547 10 0 CFAELP C[N@@H+](C1CCOCC1)C1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000069374432 522415405 /nfs/dbraw/zinc/41/54/05/522415405.db2.gz DBUWSCRQTPCEOQ-UHFFFAOYSA-N 2 2 294.361 2.547 10 0 CFAELP CCc1[nH+]ccn1Cc1cc2ccc(OC)cc2[nH+]c1N ZINC000050830058 522586374 /nfs/dbraw/zinc/58/63/74/522586374.db2.gz LFSNFGYLVNKQCH-UHFFFAOYSA-N 2 2 282.347 2.633 10 0 CFAELP COC1CC[NH+]([C@@H](C[NH2+]C(C)C)c2ccccc2)CC1 ZINC000052455492 522707789 /nfs/dbraw/zinc/70/77/89/522707789.db2.gz YLSUPTQSFJAXPM-KRWDZBQOSA-N 2 2 276.424 2.837 10 0 CFAELP C[N@H+](Cc1cc(-c2cccs2)on1)[C@H]1CCC[NH2+]CC1 ZINC000231670765 523162884 /nfs/dbraw/zinc/16/28/84/523162884.db2.gz IWPKDIZHFMSYMQ-ZDUSSCGKSA-N 2 2 291.420 2.977 10 0 CFAELP C[N@@H+](Cc1cc(-c2cccs2)on1)[C@H]1CCC[NH2+]CC1 ZINC000231670765 523162898 /nfs/dbraw/zinc/16/28/98/523162898.db2.gz IWPKDIZHFMSYMQ-ZDUSSCGKSA-N 2 2 291.420 2.977 10 0 CFAELP CC[C@H]1C[N@H+](Cc2occc2C[NH2+]C(C)(C)C)CCO1 ZINC000052477026 523299091 /nfs/dbraw/zinc/29/90/91/523299091.db2.gz KKQWPEHUUMZZMT-AWEZNQCLSA-N 2 2 280.412 2.779 10 0 CFAELP CC[C@H]1C[N@@H+](Cc2occc2C[NH2+]C(C)(C)C)CCO1 ZINC000052477026 523299102 /nfs/dbraw/zinc/29/91/02/523299102.db2.gz KKQWPEHUUMZZMT-AWEZNQCLSA-N 2 2 280.412 2.779 10 0 CFAELP CC[C@@H]1CO[C@@H](C)C[N@@H+]1[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052570739 523508031 /nfs/dbraw/zinc/50/80/31/523508031.db2.gz ALIUYDKDITYSTR-ZNMIVQPWSA-N 2 2 270.461 2.898 10 0 CFAELP CC[C@@H]1CO[C@@H](C)C[N@H+]1[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052570739 523508038 /nfs/dbraw/zinc/50/80/38/523508038.db2.gz ALIUYDKDITYSTR-ZNMIVQPWSA-N 2 2 270.461 2.898 10 0 CFAELP C[N@H+](Cc1ncc(-c2ccccc2)o1)[C@H]1CCC[NH2+]CC1 ZINC000231670942 523575065 /nfs/dbraw/zinc/57/50/65/523575065.db2.gz CBRHSTJUCDMLRY-HNNXBMFYSA-N 2 2 285.391 2.916 10 0 CFAELP C[N@@H+](Cc1ncc(-c2ccccc2)o1)[C@H]1CCC[NH2+]CC1 ZINC000231670942 523575076 /nfs/dbraw/zinc/57/50/76/523575076.db2.gz CBRHSTJUCDMLRY-HNNXBMFYSA-N 2 2 285.391 2.916 10 0 CFAELP C[N@H+](Cc1sccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000261586240 523617814 /nfs/dbraw/zinc/61/78/14/523617814.db2.gz QWXGVMCLIZDDEH-JTQLQIEISA-N 2 2 258.818 2.975 10 0 CFAELP C[N@@H+](Cc1sccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000261586240 523617819 /nfs/dbraw/zinc/61/78/19/523617819.db2.gz QWXGVMCLIZDDEH-JTQLQIEISA-N 2 2 258.818 2.975 10 0 CFAELP CCc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000070143154 524025827 /nfs/dbraw/zinc/02/58/27/524025827.db2.gz YDAUMCOHQZKSOF-CYBMUJFWSA-N 2 2 286.423 2.899 10 0 CFAELP C[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)[C@@H]1C[NH3+] ZINC000070178034 524090632 /nfs/dbraw/zinc/09/06/32/524090632.db2.gz XTAXUICQMXXALA-SWLSCSKDSA-N 2 2 282.815 2.778 10 0 CFAELP C[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2)[C@@H]1C[NH3+] ZINC000070178034 524090638 /nfs/dbraw/zinc/09/06/38/524090638.db2.gz XTAXUICQMXXALA-SWLSCSKDSA-N 2 2 282.815 2.778 10 0 CFAELP C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)[C@@H]1C[NH3+] ZINC000070499647 524097361 /nfs/dbraw/zinc/09/73/61/524097361.db2.gz QPSQFJFSCHQPBT-SUMWQHHRSA-N 2 2 258.409 2.735 10 0 CFAELP C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)[C@@H]1C[NH3+] ZINC000070499647 524097369 /nfs/dbraw/zinc/09/73/69/524097369.db2.gz QPSQFJFSCHQPBT-SUMWQHHRSA-N 2 2 258.409 2.735 10 0 CFAELP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000310007033 524138158 /nfs/dbraw/zinc/13/81/58/524138158.db2.gz IFFDQCQIDQEPMN-CVEARBPZSA-N 3 2 277.456 2.614 10 0 CFAELP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000310007033 524138168 /nfs/dbraw/zinc/13/81/68/524138168.db2.gz IFFDQCQIDQEPMN-CVEARBPZSA-N 3 2 277.456 2.614 10 0 CFAELP Cc1ccc(C[N@@H+](C)[C@H](C[NH2+]C2CC2)C(C)C)o1 ZINC000052455575 524401215 /nfs/dbraw/zinc/40/12/15/524401215.db2.gz SAMORYWYBZBQQL-OAHLLOKOSA-N 2 2 250.386 2.796 10 0 CFAELP Cc1ccc(C[N@H+](C)[C@H](C[NH2+]C2CC2)C(C)C)o1 ZINC000052455575 524401229 /nfs/dbraw/zinc/40/12/29/524401229.db2.gz SAMORYWYBZBQQL-OAHLLOKOSA-N 2 2 250.386 2.796 10 0 CFAELP C[C@@H]1CCC[C@](C[NH2+]CC[C@@H]2CCCC[N@@H+]2C)([NH+](C)C)C1 ZINC000052205805 524430471 /nfs/dbraw/zinc/43/04/71/524430471.db2.gz AWDWVTMSBAZWDL-SQNIBIBYSA-N 3 2 295.515 2.961 10 0 CFAELP C[C@@H]1CCC[C@](C[NH2+]CC[C@@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000052205805 524430480 /nfs/dbraw/zinc/43/04/80/524430480.db2.gz AWDWVTMSBAZWDL-SQNIBIBYSA-N 3 2 295.515 2.961 10 0 CFAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@H+](C)CCc1ccccn1 ZINC000050578325 525002987 /nfs/dbraw/zinc/00/29/87/525002987.db2.gz CKAMDNPFWYWCOA-QGZVFWFLSA-N 2 2 287.382 2.703 10 0 CFAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@@H+](C)CCc1ccccn1 ZINC000050578325 525002997 /nfs/dbraw/zinc/00/29/97/525002997.db2.gz CKAMDNPFWYWCOA-QGZVFWFLSA-N 2 2 287.382 2.703 10 0 CFAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000050578113 525007775 /nfs/dbraw/zinc/00/77/75/525007775.db2.gz JCMFIEOHFUWGDV-NHYWBVRUSA-N 2 2 250.361 2.866 10 0 CFAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000050578113 525007785 /nfs/dbraw/zinc/00/77/85/525007785.db2.gz JCMFIEOHFUWGDV-NHYWBVRUSA-N 2 2 250.361 2.866 10 0 CFAELP C[C@@H]1[C@@H](C)CCC[N@@H+]1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000050563513 525641997 /nfs/dbraw/zinc/64/19/97/525641997.db2.gz MXDIYXHEGUPQDR-ZOWXZIJZSA-N 2 2 250.361 2.946 10 0 CFAELP C[C@@H]1[C@@H](C)CCC[N@H+]1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000050563513 525642003 /nfs/dbraw/zinc/64/20/03/525642003.db2.gz MXDIYXHEGUPQDR-ZOWXZIJZSA-N 2 2 250.361 2.946 10 0 CFAELP Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)c(C)c1 ZINC000070143659 525736294 /nfs/dbraw/zinc/73/62/94/525736294.db2.gz RMLAMTULBRMHNV-CQSZACIVSA-N 2 2 286.423 2.954 10 0 CFAELP COc1cccc(C[N@H+](C)[C@@H](C)C[NH2+]C(C)C)c1 ZINC000052372871 525917352 /nfs/dbraw/zinc/91/73/52/525917352.db2.gz NQFDXVJSYJCZIT-ZDUSSCGKSA-N 2 2 250.386 2.514 10 0 CFAELP COc1cccc(C[N@@H+](C)[C@@H](C)C[NH2+]C(C)C)c1 ZINC000052372871 525917359 /nfs/dbraw/zinc/91/73/59/525917359.db2.gz NQFDXVJSYJCZIT-ZDUSSCGKSA-N 2 2 250.386 2.514 10 0 CFAELP CSc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000235088459 525992527 /nfs/dbraw/zinc/99/25/27/525992527.db2.gz BGYPEGGPCBYPCJ-TZMCWYRMSA-N 2 2 264.438 2.968 10 0 CFAELP CSc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000235088459 525992535 /nfs/dbraw/zinc/99/25/35/525992535.db2.gz BGYPEGGPCBYPCJ-TZMCWYRMSA-N 2 2 264.438 2.968 10 0 CFAELP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])CC(C)C)s1 ZINC000049538737 526746613 /nfs/dbraw/zinc/74/66/13/526746613.db2.gz VPQFJWKEZXAYNC-BXKDBHETSA-N 2 2 255.431 2.784 10 0 CFAELP Cc1oc(C[N@@H+]2CCO[C@H](C)C2)cc1C[NH2+]CC(C)C ZINC000052382374 526772339 /nfs/dbraw/zinc/77/23/39/526772339.db2.gz PVUIOHYNDHTLKD-CYBMUJFWSA-N 2 2 280.412 2.554 10 0 CFAELP Cc1oc(C[N@H+]2CCO[C@H](C)C2)cc1C[NH2+]CC(C)C ZINC000052382374 526772347 /nfs/dbraw/zinc/77/23/47/526772347.db2.gz PVUIOHYNDHTLKD-CYBMUJFWSA-N 2 2 280.412 2.554 10 0 CFAELP Cc1oc(C[NH2+]C(C)(C)C)cc1C[N@@H+]1CCO[C@H](C)C1 ZINC000052382718 526774187 /nfs/dbraw/zinc/77/41/87/526774187.db2.gz NTOKTXXNZHHOAM-GFCCVEGCSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1oc(C[NH2+]C(C)(C)C)cc1C[N@H+]1CCO[C@H](C)C1 ZINC000052382718 526774196 /nfs/dbraw/zinc/77/41/96/526774196.db2.gz NTOKTXXNZHHOAM-GFCCVEGCSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1nc(C[NH2+]CC[C@H]([NH3+])c2ccccc2)cs1 ZINC000049539054 526887245 /nfs/dbraw/zinc/88/72/45/526887245.db2.gz LMCNDSZIUGWNCL-AWEZNQCLSA-N 2 2 261.394 2.631 10 0 CFAELP [NH3+]CCc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1 ZINC000052304062 527199467 /nfs/dbraw/zinc/19/94/67/527199467.db2.gz MGEKNBMPBIIMSC-UHFFFAOYSA-N 2 2 270.163 2.739 10 0 CFAELP [NH3+]C[C@@H](C1CCOCC1)[NH+]1CCC2(CCCCC2)CC1 ZINC000061818815 527201781 /nfs/dbraw/zinc/20/17/81/527201781.db2.gz KNTSVALUMLAFRC-INIZCTEOSA-N 2 2 280.456 2.787 10 0 CFAELP [NH3+]C[C@@]1([NH+]2CCC3(CCCCC3)CC2)CCSC1 ZINC000061818849 527221922 /nfs/dbraw/zinc/22/19/22/527221922.db2.gz APXZSIHNUVRCSY-HNNXBMFYSA-N 2 2 268.470 2.867 10 0 CFAELP Nc1ccc(-c2[nH+]ccn2CCC[NH+]2CCCC2)cc1 ZINC000049332789 527465359 /nfs/dbraw/zinc/46/53/59/527465359.db2.gz NTCXCUROHKDZAE-UHFFFAOYSA-N 2 2 270.380 2.618 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000414347946 527883689 /nfs/dbraw/zinc/88/36/89/527883689.db2.gz RMLDJNXPFHNJHS-AAEUAGOBSA-N 2 2 260.372 2.884 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000414347946 527883692 /nfs/dbraw/zinc/88/36/92/527883692.db2.gz RMLDJNXPFHNJHS-AAEUAGOBSA-N 2 2 260.372 2.884 10 0 CFAELP CC[C@H]1CN(c2ccc([NH+](C)C)cc2)[C@@H](CC)C[NH2+]1 ZINC000083449858 536160395 /nfs/dbraw/zinc/16/03/95/536160395.db2.gz XIGDQJKYGHWDOS-KBPBESRZSA-N 2 2 261.413 2.719 10 0 CFAELP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000095968590 618286522 /nfs/dbraw/zinc/28/65/22/618286522.db2.gz USSKFUCVCVIFHX-IHRRRGAJSA-N 2 2 256.434 2.508 10 0 CFAELP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000095968590 618286524 /nfs/dbraw/zinc/28/65/24/618286524.db2.gz USSKFUCVCVIFHX-IHRRRGAJSA-N 2 2 256.434 2.508 10 0 CFAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(Cl)s1 ZINC000399099154 619086038 /nfs/dbraw/zinc/08/60/38/619086038.db2.gz ZPGVIYIJEASLHV-JTQLQIEISA-N 2 2 288.844 2.509 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2cccc(F)c2)C1 ZINC000252708841 625202306 /nfs/dbraw/zinc/20/23/06/625202306.db2.gz BGHNCFAZJMGNHC-CZUORRHYSA-N 2 2 264.388 2.831 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2cccc(F)c2)C1 ZINC000252708841 625202308 /nfs/dbraw/zinc/20/23/08/625202308.db2.gz BGHNCFAZJMGNHC-CZUORRHYSA-N 2 2 264.388 2.831 10 0 CFAELP CC(C)c1nc(C[NH+](C)C)sc1C[NH2+]C1CC1 ZINC000082431500 178009791 /nfs/dbraw/zinc/00/97/91/178009791.db2.gz IXPAJWBMJYKXSO-UHFFFAOYSA-N 2 2 253.415 2.580 10 0 CFAELP CC(C)[NH2+]Cc1sc(C[NH+](C)C)nc1C1CC1 ZINC000082436938 178014488 /nfs/dbraw/zinc/01/44/88/178014488.db2.gz GHWUIPOAROXXJR-UHFFFAOYSA-N 2 2 253.415 2.580 10 0 CFAELP C[C@@H]([NH3+])c1c[nH+]c(Cc2cccc(Br)c2)[nH]1 ZINC000096978560 185145609 /nfs/dbraw/zinc/14/56/09/185145609.db2.gz JDNPRYILUSTYEK-MRVPVSSYSA-N 2 2 280.169 2.783 10 0 CFAELP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cc(F)ccc1F ZINC000070143079 539486255 /nfs/dbraw/zinc/48/62/55/539486255.db2.gz DYZZZGBZXVABMO-SNVBAGLBSA-N 2 2 294.349 2.615 10 0 CFAELP CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000052920442 346533363 /nfs/dbraw/zinc/53/33/63/346533363.db2.gz RRQMOYHPWPTMHQ-OAHLLOKOSA-N 2 2 262.397 2.789 10 0 CFAELP CCCOc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000052920442 346533368 /nfs/dbraw/zinc/53/33/68/346533368.db2.gz RRQMOYHPWPTMHQ-OAHLLOKOSA-N 2 2 262.397 2.789 10 0 CFAELP CCc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccco1 ZINC000062136876 346686778 /nfs/dbraw/zinc/68/67/78/346686778.db2.gz UPERQPUVJHQFTD-UHFFFAOYSA-N 2 2 269.348 2.982 10 0 CFAELP COC[C@H](Cc1ccccc1)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000120343864 347806636 /nfs/dbraw/zinc/80/66/36/347806636.db2.gz QIIAMWONCVTNFT-MSOLQXFVSA-N 2 2 292.467 2.810 10 0 CFAELP Cc1cc2ccccc2[nH+]c1NCC(F)(F)C[NH3+] ZINC000162691147 348030987 /nfs/dbraw/zinc/03/09/87/348030987.db2.gz FREQBGMIEMGRGX-UHFFFAOYSA-N 2 2 251.280 2.549 10 0 CFAELP CCC[N@@H+]1CCC[C@]([NH3+])(c2nc(C)cs2)CC1 ZINC000086851299 179359414 /nfs/dbraw/zinc/35/94/14/179359414.db2.gz KOAKIOPYULSOJV-CYBMUJFWSA-N 2 2 253.415 2.501 10 0 CFAELP CCC[N@H+]1CCC[C@]([NH3+])(c2nc(C)cs2)CC1 ZINC000086851299 179359417 /nfs/dbraw/zinc/35/94/17/179359417.db2.gz KOAKIOPYULSOJV-CYBMUJFWSA-N 2 2 253.415 2.501 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1C[C@@H](C[NH3+])C[C@H]1C ZINC000228084330 348193327 /nfs/dbraw/zinc/19/33/27/348193327.db2.gz SEMNIIJTNJBBIQ-CHWSQXEVSA-N 2 2 255.365 2.717 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC000389231201 348539986 /nfs/dbraw/zinc/53/99/86/348539986.db2.gz INGNRRCWOGARKM-KBPBESRZSA-N 2 2 262.397 2.748 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC000389231201 348539988 /nfs/dbraw/zinc/53/99/88/348539988.db2.gz INGNRRCWOGARKM-KBPBESRZSA-N 2 2 262.397 2.748 10 0 CFAELP CN(CC[NH+](C)C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000584601590 348685724 /nfs/dbraw/zinc/68/57/24/348685724.db2.gz BAHHZFVHLABYFX-UHFFFAOYSA-N 2 2 278.787 2.709 10 0 CFAELP [NH3+]C[C@H]1CCCC[C@@H]1Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000089143883 179721480 /nfs/dbraw/zinc/72/14/80/179721480.db2.gz SZWOKGRNXJNVKR-WBVHZDCISA-N 2 2 284.407 2.861 10 0 CFAELP C[NH2+]CC1(C[N@H+](C)Cc2scnc2C)CCCC1 ZINC000104435997 186001407 /nfs/dbraw/zinc/00/14/07/186001407.db2.gz HREBGPAERITCOZ-UHFFFAOYSA-N 2 2 267.442 2.663 10 0 CFAELP C[NH2+]CC1(C[N@@H+](C)Cc2scnc2C)CCCC1 ZINC000104435997 186001408 /nfs/dbraw/zinc/00/14/08/186001408.db2.gz HREBGPAERITCOZ-UHFFFAOYSA-N 2 2 267.442 2.663 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000105897436 186086801 /nfs/dbraw/zinc/08/68/01/186086801.db2.gz DXGAVDGBMHGDEP-HNNXBMFYSA-N 2 2 270.380 2.678 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000105897436 186086802 /nfs/dbraw/zinc/08/68/02/186086802.db2.gz DXGAVDGBMHGDEP-HNNXBMFYSA-N 2 2 270.380 2.678 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1ccc2cccnc2c1 ZINC000616614680 352384736 /nfs/dbraw/zinc/38/47/36/352384736.db2.gz IUUSYJOQLVNWIV-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1ccc2cccnc2c1 ZINC000616614680 352384738 /nfs/dbraw/zinc/38/47/38/352384738.db2.gz IUUSYJOQLVNWIV-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1ccc2cccnc2c1 ZINC000616616133 352385794 /nfs/dbraw/zinc/38/57/94/352385794.db2.gz IUUSYJOQLVNWIV-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1ccc2cccnc2c1 ZINC000616616133 352385796 /nfs/dbraw/zinc/38/57/96/352385796.db2.gz IUUSYJOQLVNWIV-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccc3ccccc3n2)CC1 ZINC000616627187 352389864 /nfs/dbraw/zinc/38/98/64/352389864.db2.gz FUVJYUCKITVLGF-HNNXBMFYSA-N 2 2 269.392 2.763 10 0 CFAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccc3ccccc3n2)CC1 ZINC000616627187 352389865 /nfs/dbraw/zinc/38/98/65/352389865.db2.gz FUVJYUCKITVLGF-HNNXBMFYSA-N 2 2 269.392 2.763 10 0 CFAELP C[C@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)C[C@H]1C[NH3+] ZINC000631840142 355602689 /nfs/dbraw/zinc/60/26/89/355602689.db2.gz PZMJPASJSNNQSB-CMPLNLGQSA-N 2 2 293.461 2.898 10 0 CFAELP C[C@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)C[C@H]1C[NH3+] ZINC000631840142 355602692 /nfs/dbraw/zinc/60/26/92/355602692.db2.gz PZMJPASJSNNQSB-CMPLNLGQSA-N 2 2 293.461 2.898 10 0 CFAELP C[C@@H]1C[N@H+](Cc2csc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000631840532 355603112 /nfs/dbraw/zinc/60/31/12/355603112.db2.gz TTZDJZXDNNFCRS-OCCSQVGLSA-N 2 2 287.432 2.837 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2csc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000631840532 355603115 /nfs/dbraw/zinc/60/31/15/355603115.db2.gz TTZDJZXDNNFCRS-OCCSQVGLSA-N 2 2 287.432 2.837 10 0 CFAELP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889020 355614410 /nfs/dbraw/zinc/61/44/10/355614410.db2.gz BMCWBICFLVGTGA-MGPQQGTHSA-N 2 2 272.383 2.886 10 0 CFAELP FC1(F)CCCC[C@@H]1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889020 355614413 /nfs/dbraw/zinc/61/44/13/355614413.db2.gz BMCWBICFLVGTGA-MGPQQGTHSA-N 2 2 272.383 2.886 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C)cc1 ZINC000178318786 189106691 /nfs/dbraw/zinc/10/66/91/189106691.db2.gz DMNLRFFUJLEVLT-MSOLQXFVSA-N 2 2 299.418 2.698 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(C)cc1 ZINC000178318786 189106692 /nfs/dbraw/zinc/10/66/92/189106692.db2.gz DMNLRFFUJLEVLT-MSOLQXFVSA-N 2 2 299.418 2.698 10 0 CFAELP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)C[C@H]21 ZINC000228551104 283579462 /nfs/dbraw/zinc/57/94/62/283579462.db2.gz JNCKOWDVIBAKGR-YUSALJHKSA-N 2 2 285.313 2.664 10 0 CFAELP COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000180130680 189238720 /nfs/dbraw/zinc/23/87/20/189238720.db2.gz ZTJYQGQKRHRBAD-MRXNPFEDSA-N 2 2 285.391 2.865 10 0 CFAELP COc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000180130680 189238721 /nfs/dbraw/zinc/23/87/21/189238721.db2.gz ZTJYQGQKRHRBAD-MRXNPFEDSA-N 2 2 285.391 2.865 10 0 CFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)CC(C)C)nc[nH+]1 ZINC000180576234 189263134 /nfs/dbraw/zinc/26/31/34/189263134.db2.gz HWHTXVODSHUGDO-UONOGXRCSA-N 2 2 291.443 2.511 10 0 CFAELP C[NH+](C)C[C@@H]([NH2+]C1CCSCC1)c1ccccc1 ZINC000035120944 372542074 /nfs/dbraw/zinc/54/20/74/372542074.db2.gz GHJLFTZVLJGAHI-OAHLLOKOSA-N 2 2 264.438 2.775 10 0 CFAELP C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc3c(c2)OCCCO3)C1 ZINC000037675133 372688719 /nfs/dbraw/zinc/68/87/19/372688719.db2.gz QRMZZAZUBRCGMS-ZFWWWQNUSA-N 2 2 290.407 2.580 10 0 CFAELP C[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccc3c(c2)OCCCO3)C1 ZINC000037675133 372688727 /nfs/dbraw/zinc/68/87/27/372688727.db2.gz QRMZZAZUBRCGMS-ZFWWWQNUSA-N 2 2 290.407 2.580 10 0 CFAELP CC[C@@H](C)Oc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000041166584 372825217 /nfs/dbraw/zinc/82/52/17/372825217.db2.gz PKJONQJBMZHMJQ-CQSZACIVSA-N 2 2 262.397 2.659 10 0 CFAELP CC[C@@H](C)Oc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000041166584 372825222 /nfs/dbraw/zinc/82/52/22/372825222.db2.gz PKJONQJBMZHMJQ-CQSZACIVSA-N 2 2 262.397 2.659 10 0 CFAELP Cc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070456573 374181579 /nfs/dbraw/zinc/18/15/79/374181579.db2.gz NJIMLJKUZFDQLA-CQSZACIVSA-N 2 2 286.354 2.755 10 0 CFAELP CCc1cc(N2CCC[NH2+]CC2)nc(-c2ccc(C)cc2)[nH+]1 ZINC000070451913 374178271 /nfs/dbraw/zinc/17/82/71/374178271.db2.gz JHCHRKNLSSPHLZ-UHFFFAOYSA-N 2 2 296.418 2.814 10 0 CFAELP CCc1c(C)[nH+]c(-c2ccc(C)cc2)nc1N1CC[C@H]([NH3+])C1 ZINC000070455797 374179680 /nfs/dbraw/zinc/17/96/80/374179680.db2.gz VPDVOMXJFTUZGA-HNNXBMFYSA-N 2 2 296.418 2.860 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000070939027 374207240 /nfs/dbraw/zinc/20/72/40/374207240.db2.gz MQNFVBQQVQJFMN-CQSZACIVSA-N 2 2 257.381 2.742 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000070939027 374207244 /nfs/dbraw/zinc/20/72/44/374207244.db2.gz MQNFVBQQVQJFMN-CQSZACIVSA-N 2 2 257.381 2.742 10 0 CFAELP C[NH2+]C[C@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000090803808 375032311 /nfs/dbraw/zinc/03/23/11/375032311.db2.gz WCOARQBKXVHSEL-SNVBAGLBSA-N 2 2 273.302 2.536 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOC(C)(C)C)C1 ZINC000105897805 375792702 /nfs/dbraw/zinc/79/27/02/375792702.db2.gz YITGCPRRBGAVAN-CQSZACIVSA-N 2 2 279.428 2.898 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOC(C)(C)C)C1 ZINC000105897805 375792706 /nfs/dbraw/zinc/79/27/06/375792706.db2.gz YITGCPRRBGAVAN-CQSZACIVSA-N 2 2 279.428 2.898 10 0 CFAELP C[N@H+](CCC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000112697849 375946151 /nfs/dbraw/zinc/94/61/51/375946151.db2.gz GIKWHKVOIITRPV-UHFFFAOYSA-N 2 2 292.471 2.716 10 0 CFAELP C[N@@H+](CCC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000112697849 375946157 /nfs/dbraw/zinc/94/61/57/375946157.db2.gz GIKWHKVOIITRPV-UHFFFAOYSA-N 2 2 292.471 2.716 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCCOC)C1 ZINC000117880727 376264832 /nfs/dbraw/zinc/26/48/32/376264832.db2.gz OFYKRPBRFLYVJX-CQSZACIVSA-N 2 2 265.401 2.509 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCCOC)C1 ZINC000117880727 376264837 /nfs/dbraw/zinc/26/48/37/376264837.db2.gz OFYKRPBRFLYVJX-CQSZACIVSA-N 2 2 265.401 2.509 10 0 CFAELP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000124947591 377103612 /nfs/dbraw/zinc/10/36/12/377103612.db2.gz WOBHQXNXEGAYOI-ZDUSSCGKSA-N 2 2 295.427 2.634 10 0 CFAELP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000124947591 377103625 /nfs/dbraw/zinc/10/36/25/377103625.db2.gz WOBHQXNXEGAYOI-ZDUSSCGKSA-N 2 2 295.427 2.634 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000130408664 377551138 /nfs/dbraw/zinc/55/11/38/377551138.db2.gz IUVKYDPKITVORW-HNNXBMFYSA-N 2 2 270.380 2.678 10 0 CFAELP c1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)no1 ZINC000679574920 542210733 /nfs/dbraw/zinc/21/07/33/542210733.db2.gz NNDGCWIAGFAUPT-CGTJXYLNSA-N 2 2 297.402 2.675 10 0 CFAELP c1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)no1 ZINC000679574920 542210735 /nfs/dbraw/zinc/21/07/35/542210735.db2.gz NNDGCWIAGFAUPT-CGTJXYLNSA-N 2 2 297.402 2.675 10 0 CFAELP Cc1cc(NC[C@H]2CCC[N@H+]2CC(C)C)nc(C)[nH+]1 ZINC000131477794 377718112 /nfs/dbraw/zinc/71/81/12/377718112.db2.gz PEPQRFWIGHMKGL-CQSZACIVSA-N 2 2 262.401 2.626 10 0 CFAELP Cc1cc(NC[C@H]2CCC[N@@H+]2CC(C)C)nc(C)[nH+]1 ZINC000131477794 377718121 /nfs/dbraw/zinc/71/81/21/377718121.db2.gz PEPQRFWIGHMKGL-CQSZACIVSA-N 2 2 262.401 2.626 10 0 CFAELP CCc1noc(C)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131845811 377767648 /nfs/dbraw/zinc/76/76/48/377767648.db2.gz RAQDAYPPIBFNHC-AWEZNQCLSA-N 2 2 287.363 2.594 10 0 CFAELP CCc1noc(C)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131845811 377767653 /nfs/dbraw/zinc/76/76/53/377767653.db2.gz RAQDAYPPIBFNHC-AWEZNQCLSA-N 2 2 287.363 2.594 10 0 CFAELP C[C@@H](C[NH3+])[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000161989634 378885880 /nfs/dbraw/zinc/88/58/80/378885880.db2.gz FISYXFNTSILDFI-ZETCQYMHSA-N 2 2 277.593 2.539 10 0 CFAELP Clc1cc(Br)cc(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000335538692 379476841 /nfs/dbraw/zinc/47/68/41/379476841.db2.gz QKUBDEDENHXNPP-LLVKDONJSA-N 2 2 289.604 2.554 10 0 CFAELP COC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000174010992 379812655 /nfs/dbraw/zinc/81/26/55/379812655.db2.gz JWACQXKPBSQWOJ-RDJZCZTQSA-N 2 2 276.424 2.666 10 0 CFAELP COC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174010992 379812661 /nfs/dbraw/zinc/81/26/61/379812661.db2.gz JWACQXKPBSQWOJ-RDJZCZTQSA-N 2 2 276.424 2.666 10 0 CFAELP CCn1c[nH+]cc1CN[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000336706838 380601567 /nfs/dbraw/zinc/60/15/67/380601567.db2.gz JEBOZLDFMBKXSY-HNNXBMFYSA-N 2 2 286.423 2.513 10 0 CFAELP Cc1nc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cs1 ZINC000348318271 381504888 /nfs/dbraw/zinc/50/48/88/381504888.db2.gz KDTMSZIBYJEUPJ-CMPLNLGQSA-N 2 2 253.415 2.586 10 0 CFAELP Cc1nc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cs1 ZINC000348318271 381504895 /nfs/dbraw/zinc/50/48/95/381504895.db2.gz KDTMSZIBYJEUPJ-CMPLNLGQSA-N 2 2 253.415 2.586 10 0 CFAELP Cc1cccc(NC2CCN(c3cc(C)[nH+]cn3)CC2)[nH+]1 ZINC000301252048 382122532 /nfs/dbraw/zinc/12/25/32/382122532.db2.gz CIMVYFMQUSEVOD-UHFFFAOYSA-N 2 2 283.379 2.569 10 0 CFAELP Cc1nc(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302099754 382206307 /nfs/dbraw/zinc/20/63/07/382206307.db2.gz PMPREKZPIXNBBG-WBMJQRKESA-N 2 2 288.439 2.804 10 0 CFAELP Cc1nc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302099754 382206310 /nfs/dbraw/zinc/20/63/10/382206310.db2.gz PMPREKZPIXNBBG-WBMJQRKESA-N 2 2 288.439 2.804 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC000189343619 382595962 /nfs/dbraw/zinc/59/59/62/382595962.db2.gz UPQJSWFJWNERPZ-AWEZNQCLSA-N 2 2 288.370 2.817 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000189343619 382595963 /nfs/dbraw/zinc/59/59/63/382595963.db2.gz UPQJSWFJWNERPZ-AWEZNQCLSA-N 2 2 288.370 2.817 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000389288744 382613929 /nfs/dbraw/zinc/61/39/29/382613929.db2.gz WVZBWQUGWPCVNX-OGVSOVDVSA-N 2 2 262.372 2.756 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000389288744 382613935 /nfs/dbraw/zinc/61/39/35/382613935.db2.gz WVZBWQUGWPCVNX-OGVSOVDVSA-N 2 2 262.372 2.756 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OCC(C)C)C2(C)C)C1 ZINC000389403182 382614013 /nfs/dbraw/zinc/61/40/13/382614013.db2.gz LDZWEXGCFZZSOZ-SOUVJXGZSA-N 2 2 268.445 2.510 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OCC(C)C)C2(C)C)C1 ZINC000389403182 382614017 /nfs/dbraw/zinc/61/40/17/382614017.db2.gz LDZWEXGCFZZSOZ-SOUVJXGZSA-N 2 2 268.445 2.510 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccc(C)cc3)C2)C1 ZINC000389548431 382615091 /nfs/dbraw/zinc/61/50/91/382615091.db2.gz NGSDKPKRVQMWHH-AQFXKWCLSA-N 2 2 258.409 2.925 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccc(C)cc3)C2)C1 ZINC000389548431 382615092 /nfs/dbraw/zinc/61/50/92/382615092.db2.gz NGSDKPKRVQMWHH-AQFXKWCLSA-N 2 2 258.409 2.925 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000389544624 382615384 /nfs/dbraw/zinc/61/53/84/382615384.db2.gz LPJCMXRJRUKWHA-PCKAHOCUSA-N 2 2 258.409 2.925 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000389544624 382615388 /nfs/dbraw/zinc/61/53/88/382615388.db2.gz LPJCMXRJRUKWHA-PCKAHOCUSA-N 2 2 258.409 2.925 10 0 CFAELP C[C@H]([NH2+][C@@H]1CCOc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000385919420 382581182 /nfs/dbraw/zinc/58/11/82/382581182.db2.gz AAAGAGKSIMEBNU-AEGPPILISA-N 2 2 260.381 2.630 10 0 CFAELP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000220301082 382795699 /nfs/dbraw/zinc/79/56/99/382795699.db2.gz ZVGKVKKINSGOGV-NSHDSACASA-N 2 2 274.286 2.508 10 0 CFAELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000220301082 382795701 /nfs/dbraw/zinc/79/57/01/382795701.db2.gz ZVGKVKKINSGOGV-NSHDSACASA-N 2 2 274.286 2.508 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C)cc1 ZINC000246880411 383116458 /nfs/dbraw/zinc/11/64/58/383116458.db2.gz DMNLRFFUJLEVLT-ROUUACIJSA-N 2 2 299.418 2.698 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(C)cc1 ZINC000246880411 383116461 /nfs/dbraw/zinc/11/64/61/383116461.db2.gz DMNLRFFUJLEVLT-ROUUACIJSA-N 2 2 299.418 2.698 10 0 CFAELP CCCC[C@H](COC)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248176028 383218197 /nfs/dbraw/zinc/21/81/97/383218197.db2.gz VOMBAEBIIUCPMX-RBSFLKMASA-N 2 2 256.434 2.510 10 0 CFAELP CCCC[C@H](COC)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248176028 383218199 /nfs/dbraw/zinc/21/81/99/383218199.db2.gz VOMBAEBIIUCPMX-RBSFLKMASA-N 2 2 256.434 2.510 10 0 CFAELP CC(C)(C)c1nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000261601539 383526557 /nfs/dbraw/zinc/52/65/57/383526557.db2.gz QEHGOIYIHPGEQR-WCFLWFBJSA-N 2 2 279.453 2.610 10 0 CFAELP CC(C)(C)c1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000261601539 383526559 /nfs/dbraw/zinc/52/65/59/383526559.db2.gz QEHGOIYIHPGEQR-WCFLWFBJSA-N 2 2 279.453 2.610 10 0 CFAELP C[C@@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)C[C@@H]1[NH3+] ZINC000261999318 383592474 /nfs/dbraw/zinc/59/24/74/383592474.db2.gz LDMOOGTVRCXJOF-DYVFJYSZSA-N 2 2 267.376 2.528 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)C[C@@H]1[NH3+] ZINC000261999318 383592475 /nfs/dbraw/zinc/59/24/75/383592475.db2.gz LDMOOGTVRCXJOF-DYVFJYSZSA-N 2 2 267.376 2.528 10 0 CFAELP C[C@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)C[C@@H]1[NH3+] ZINC000262006857 383593751 /nfs/dbraw/zinc/59/37/51/383593751.db2.gz LXUADTPXOXVAIV-BBRMVZONSA-N 2 2 267.376 2.528 10 0 CFAELP C[C@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)C[C@@H]1[NH3+] ZINC000262006857 383593753 /nfs/dbraw/zinc/59/37/53/383593753.db2.gz LXUADTPXOXVAIV-BBRMVZONSA-N 2 2 267.376 2.528 10 0 CFAELP C[C@H](C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1)c1cccc(Cl)c1 ZINC000262139564 383608780 /nfs/dbraw/zinc/60/87/80/383608780.db2.gz YYXACHOCGNOXJV-SUNKGSAMSA-N 2 2 252.789 2.723 10 0 CFAELP C[C@H](C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1)c1cccc(Cl)c1 ZINC000262139564 383608783 /nfs/dbraw/zinc/60/87/83/383608783.db2.gz YYXACHOCGNOXJV-SUNKGSAMSA-N 2 2 252.789 2.723 10 0 CFAELP FC(F)(F)c1ccccc1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000045946309 393575394 /nfs/dbraw/zinc/57/53/94/393575394.db2.gz SICLYWHQAIMOKB-UHFFFAOYSA-N 2 2 269.270 2.761 10 0 CFAELP FC(F)(F)c1ccccc1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000045946309 393575396 /nfs/dbraw/zinc/57/53/96/393575396.db2.gz SICLYWHQAIMOKB-UHFFFAOYSA-N 2 2 269.270 2.761 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1F ZINC000400401460 393601221 /nfs/dbraw/zinc/60/12/21/393601221.db2.gz QAHMDOVGWULCQF-HUBLWGQQSA-N 2 2 250.361 2.925 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000105896345 393865418 /nfs/dbraw/zinc/86/54/18/393865418.db2.gz UDODRAXTZCNRKL-GJZGRUSLSA-N 2 2 277.412 2.652 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000105896345 393865422 /nfs/dbraw/zinc/86/54/22/393865422.db2.gz UDODRAXTZCNRKL-GJZGRUSLSA-N 2 2 277.412 2.652 10 0 CFAELP CC[C@@H]1CN(c2ccc([NH+](C)C)cc2)[C@H](CC)C[NH2+]1 ZINC000083449851 135022447 /nfs/dbraw/zinc/02/24/47/135022447.db2.gz XIGDQJKYGHWDOS-ZIAGYGMSSA-N 2 2 261.413 2.719 10 0 CFAELP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1F ZINC000205852531 397616694 /nfs/dbraw/zinc/61/66/94/397616694.db2.gz VETUDDLKHANBAF-NVXWUHKLSA-N 2 2 270.351 2.752 10 0 CFAELP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1F ZINC000205852531 397616695 /nfs/dbraw/zinc/61/66/95/397616695.db2.gz VETUDDLKHANBAF-NVXWUHKLSA-N 2 2 270.351 2.752 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[N@H+](C)CC(C)(C)C)c1 ZINC000020225832 171090178 /nfs/dbraw/zinc/09/01/78/171090178.db2.gz WAIXTKCVFRHMCX-CQSZACIVSA-N 2 2 250.386 2.673 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[N@@H+](C)CC(C)(C)C)c1 ZINC000020225832 171090180 /nfs/dbraw/zinc/09/01/80/171090180.db2.gz WAIXTKCVFRHMCX-CQSZACIVSA-N 2 2 250.386 2.673 10 0 CFAELP CC(C)Oc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CC2)cc1 ZINC000020226586 171092090 /nfs/dbraw/zinc/09/20/90/171092090.db2.gz ILKJSGHAIUPODG-MRXNPFEDSA-N 2 2 262.397 2.815 10 0 CFAELP CC(C)Oc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CC2)cc1 ZINC000020226586 171092093 /nfs/dbraw/zinc/09/20/93/171092093.db2.gz ILKJSGHAIUPODG-MRXNPFEDSA-N 2 2 262.397 2.815 10 0 CFAELP CC(C)Oc1cccc([C@H](C[NH3+])[N@H+](C)CC2CC2)c1 ZINC000020226651 171092228 /nfs/dbraw/zinc/09/22/28/171092228.db2.gz MVCVSNDWDILOJF-INIZCTEOSA-N 2 2 262.397 2.815 10 0 CFAELP CC(C)Oc1cccc([C@H](C[NH3+])[N@@H+](C)CC2CC2)c1 ZINC000020226651 171092230 /nfs/dbraw/zinc/09/22/30/171092230.db2.gz MVCVSNDWDILOJF-INIZCTEOSA-N 2 2 262.397 2.815 10 0 CFAELP COC(C)(C)C[C@@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000020524767 171237697 /nfs/dbraw/zinc/23/76/97/171237697.db2.gz HCPBIHMNAMYMBJ-KGLIPLIRSA-N 2 2 258.450 2.756 10 0 CFAELP C[NH+](C)CCC[NH2+]Cc1cc2ccccc2nc1Cl ZINC000020968514 171282969 /nfs/dbraw/zinc/28/29/69/171282969.db2.gz OVTZYQOHSUDIDN-UHFFFAOYSA-N 2 2 277.799 2.930 10 0 CFAELP C[C@@H]([NH2+]CC[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC000021956970 171341984 /nfs/dbraw/zinc/34/19/84/171341984.db2.gz PYMQTOTVHJYVQM-DYCFOQDWSA-N 2 2 250.430 2.743 10 0 CFAELP CC[NH+](CC)[C@@H](C[NH3+])c1ccc(OC)c(OC(F)F)c1 ZINC000022162062 171364106 /nfs/dbraw/zinc/36/41/06/171364106.db2.gz AQJZSFORYROBRS-NSHDSACASA-N 2 2 288.338 2.638 10 0 CFAELP CCC(CC)[C@@H](C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000022174932 171370008 /nfs/dbraw/zinc/37/00/08/171370008.db2.gz QPHLIXMRVKAPQO-CYBMUJFWSA-N 2 2 252.427 2.870 10 0 CFAELP CCC(CC)[C@@H](C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000022174932 171370010 /nfs/dbraw/zinc/37/00/10/171370010.db2.gz QPHLIXMRVKAPQO-CYBMUJFWSA-N 2 2 252.427 2.870 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000022219671 171377288 /nfs/dbraw/zinc/37/72/88/171377288.db2.gz UQFLJZUHWDYGFP-SWLSCSKDSA-N 2 2 278.396 2.578 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000022219671 171377289 /nfs/dbraw/zinc/37/72/89/171377289.db2.gz UQFLJZUHWDYGFP-SWLSCSKDSA-N 2 2 278.396 2.578 10 0 CFAELP CCC[NH+](CCC)[C@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000022219537 171377321 /nfs/dbraw/zinc/37/73/21/171377321.db2.gz MKKOYHHSGUEABD-QGZVFWFLSA-N 2 2 286.423 2.994 10 0 CFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)Cc1ccccc1Cl ZINC000035570224 172265312 /nfs/dbraw/zinc/26/53/12/172265312.db2.gz JXMJLDZOZDACGW-GFCCVEGCSA-N 2 2 263.772 2.826 10 0 CFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(F)c(F)c1 ZINC000035570212 172265403 /nfs/dbraw/zinc/26/54/03/172265403.db2.gz GFWANHVKYWKZNS-GFCCVEGCSA-N 2 2 251.280 2.581 10 0 CFAELP CC[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)CO1 ZINC000657427822 413591144 /nfs/dbraw/zinc/59/11/44/413591144.db2.gz FHEDDZJTQWLMLM-BHYGNILZSA-N 2 2 276.424 2.664 10 0 CFAELP CC[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)CO1 ZINC000657427822 413591155 /nfs/dbraw/zinc/59/11/55/413591155.db2.gz FHEDDZJTQWLMLM-BHYGNILZSA-N 2 2 276.424 2.664 10 0 CFAELP C[C@@H]1CC(C)(C)C[C@](C[NH3+])([N@H+](C)[C@@H]2CCSC2)C1 ZINC000037174627 173009790 /nfs/dbraw/zinc/00/97/90/173009790.db2.gz ODUYGCYWMTZBJC-UMVBOHGHSA-N 2 2 270.486 2.967 10 0 CFAELP C[C@@H]1CC(C)(C)C[C@](C[NH3+])([N@@H+](C)[C@@H]2CCSC2)C1 ZINC000037174627 173009791 /nfs/dbraw/zinc/00/97/91/173009791.db2.gz ODUYGCYWMTZBJC-UMVBOHGHSA-N 2 2 270.486 2.967 10 0 CFAELP C([NH2+]C1CC[NH2+]CC1)C1([NH+]2CCCCC2)CCCCC1 ZINC000038040624 174041028 /nfs/dbraw/zinc/04/10/28/174041028.db2.gz IZTOCQIDZKKELS-UHFFFAOYSA-N 3 2 279.472 2.517 10 0 CFAELP Cc1ccc(-c2c[nH]c(CC3CC[NH2+]CC3)[nH+]2)s1 ZINC000038076135 174086450 /nfs/dbraw/zinc/08/64/50/174086450.db2.gz GOUYXZRCCYZSDS-UHFFFAOYSA-N 2 2 261.394 2.989 10 0 CFAELP CC[NH+](CC)CC[NH2+][C@@H]1CCc2[nH]c3ccccc3c2C1 ZINC000039214005 174166037 /nfs/dbraw/zinc/16/60/37/174166037.db2.gz TZTDKXLAAVJOEA-CQSZACIVSA-N 2 2 285.435 2.957 10 0 CFAELP Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2C[NH+]3CCC2CC3)c1 ZINC000040500457 174297019 /nfs/dbraw/zinc/29/70/19/174297019.db2.gz GXPQBNDXXUJENJ-CRAIPNDOSA-N 2 2 272.436 3.000 10 0 CFAELP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H]2CCC[N@H+](CC)C2)CC1 ZINC000040502629 174298754 /nfs/dbraw/zinc/29/87/54/174298754.db2.gz FHLVZLMCOQPDOV-WBVHZDCISA-N 3 2 281.488 2.571 10 0 CFAELP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000040502629 174298756 /nfs/dbraw/zinc/29/87/56/174298756.db2.gz FHLVZLMCOQPDOV-WBVHZDCISA-N 3 2 281.488 2.571 10 0 CFAELP Cc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040673107 174371227 /nfs/dbraw/zinc/37/12/27/174371227.db2.gz KLXOPBQPHFNXQE-HOCLYGCPSA-N 2 2 274.408 2.893 10 0 CFAELP Cc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040673107 174371229 /nfs/dbraw/zinc/37/12/29/174371229.db2.gz KLXOPBQPHFNXQE-HOCLYGCPSA-N 2 2 274.408 2.893 10 0 CFAELP CCOC1CC[NH+]([C@H](C[NH3+])c2ccc(C)cc2C)CC1 ZINC000040689130 174376038 /nfs/dbraw/zinc/37/60/38/174376038.db2.gz HLDRSXSRRDLJBF-QGZVFWFLSA-N 2 2 276.424 2.804 10 0 CFAELP C[N@H+](Cc1ccc(Br)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746516 174391219 /nfs/dbraw/zinc/39/12/19/174391219.db2.gz NQNATLPAJAKYKS-ZACCUICWSA-N 2 2 299.212 2.757 10 0 CFAELP C[N@@H+](Cc1ccc(Br)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746516 174391221 /nfs/dbraw/zinc/39/12/21/174391221.db2.gz NQNATLPAJAKYKS-ZACCUICWSA-N 2 2 299.212 2.757 10 0 CFAELP C[C@H](c1ccc(F)cc1F)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749331 174393826 /nfs/dbraw/zinc/39/38/26/174393826.db2.gz HWUHYDNWYWGQAC-NSNUZPRRSA-N 2 2 266.335 2.980 10 0 CFAELP C[C@H](c1ccc(F)cc1F)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749331 174393828 /nfs/dbraw/zinc/39/38/28/174393828.db2.gz HWUHYDNWYWGQAC-NSNUZPRRSA-N 2 2 266.335 2.980 10 0 CFAELP COC(=O)Cc1c(C)[nH+]c2ccccc2c1-n1cc[nH+]c1C ZINC000041495983 174561801 /nfs/dbraw/zinc/56/18/01/174561801.db2.gz ATHUDWQHFZIOLV-UHFFFAOYSA-N 2 2 295.342 2.753 10 0 CFAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[NH+]2CCCCCC2)c1 ZINC000043025608 174946165 /nfs/dbraw/zinc/94/61/65/174946165.db2.gz DNBUHGKXQFFECP-CZUORRHYSA-N 2 2 262.397 2.960 10 0 CFAELP Cc1cccc([C@H](C[NH3+])[N@@H+]2CCCSCC2)c1C ZINC000043314799 175004736 /nfs/dbraw/zinc/00/47/36/175004736.db2.gz XPHADPZYLFEJEO-HNNXBMFYSA-N 2 2 264.438 2.742 10 0 CFAELP Cc1cccc([C@H](C[NH3+])[N@H+]2CCCSCC2)c1C ZINC000043314799 175004737 /nfs/dbraw/zinc/00/47/37/175004737.db2.gz XPHADPZYLFEJEO-HNNXBMFYSA-N 2 2 264.438 2.742 10 0 CFAELP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043325852 175007616 /nfs/dbraw/zinc/00/76/16/175007616.db2.gz CYHHSSSCEAMPLG-DGCLKSJQSA-N 2 2 252.789 2.613 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)CCc1ccncc1 ZINC000043335417 175010889 /nfs/dbraw/zinc/01/08/89/175010889.db2.gz NUZHKNQPOBTYOD-HOCLYGCPSA-N 2 2 273.380 2.628 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)CCc1ccncc1 ZINC000043335417 175010890 /nfs/dbraw/zinc/01/08/90/175010890.db2.gz NUZHKNQPOBTYOD-HOCLYGCPSA-N 2 2 273.380 2.628 10 0 CFAELP CCOC1CC[NH+]([C@@H](c2ccco2)[C@@H]([NH3+])CC)CC1 ZINC000043335495 175011254 /nfs/dbraw/zinc/01/12/54/175011254.db2.gz LHAZBGPAQYXFJL-DZGCQCFKSA-N 2 2 266.385 2.559 10 0 CFAELP CCC(CC)[N@@H+](CCO)[C@@H](c1ccco1)[C@H]([NH3+])CC ZINC000043336129 175011815 /nfs/dbraw/zinc/01/18/15/175011815.db2.gz CFZCHOJOFHCTCH-UKRRQHHQSA-N 2 2 268.401 2.541 10 0 CFAELP CCC(CC)[N@H+](CCO)[C@@H](c1ccco1)[C@H]([NH3+])CC ZINC000043336129 175011817 /nfs/dbraw/zinc/01/18/17/175011817.db2.gz CFZCHOJOFHCTCH-UKRRQHHQSA-N 2 2 268.401 2.541 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[NH+]1CCC(CC)CC1 ZINC000043347418 175018164 /nfs/dbraw/zinc/01/81/64/175018164.db2.gz ZPXCYLGIQNCIRH-CVEARBPZSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](CC)[C@@H](C)COC ZINC000043365369 175026843 /nfs/dbraw/zinc/02/68/43/175026843.db2.gz DSDKODXPVCVMEB-NJZAAPMLSA-N 2 2 268.401 2.723 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](CC)[C@@H](C)COC ZINC000043365369 175026844 /nfs/dbraw/zinc/02/68/44/175026844.db2.gz DSDKODXPVCVMEB-NJZAAPMLSA-N 2 2 268.401 2.723 10 0 CFAELP Cc1cc(C)cc([C@@H](C[NH3+])[N@H+](C)CCc2ccncc2)c1 ZINC000043394227 175034757 /nfs/dbraw/zinc/03/47/57/175034757.db2.gz UIARPVZLJCOYPW-GOSISDBHSA-N 2 2 283.419 2.873 10 0 CFAELP Cc1cc(C)cc([C@@H](C[NH3+])[N@@H+](C)CCc2ccncc2)c1 ZINC000043394227 175034758 /nfs/dbraw/zinc/03/47/58/175034758.db2.gz UIARPVZLJCOYPW-GOSISDBHSA-N 2 2 283.419 2.873 10 0 CFAELP CC[N@@H+]([C@@H](C[NH3+])c1cc(C)cc(C)c1)[C@@H](C)COC ZINC000043394523 175035006 /nfs/dbraw/zinc/03/50/06/175035006.db2.gz ADOBISUDUBEPQR-HOCLYGCPSA-N 2 2 264.413 2.660 10 0 CFAELP CC[N@H+]([C@@H](C[NH3+])c1cc(C)cc(C)c1)[C@@H](C)COC ZINC000043394523 175035007 /nfs/dbraw/zinc/03/50/07/175035007.db2.gz ADOBISUDUBEPQR-HOCLYGCPSA-N 2 2 264.413 2.660 10 0 CFAELP CCO[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2cc(C)cc(C)c2)C1 ZINC000043394473 175035211 /nfs/dbraw/zinc/03/52/11/175035211.db2.gz ZJWMXRXOMJJJLM-IRXDYDNUSA-N 2 2 276.424 2.804 10 0 CFAELP CCO[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2cc(C)cc(C)c2)C1 ZINC000043394473 175035213 /nfs/dbraw/zinc/03/52/13/175035213.db2.gz ZJWMXRXOMJJJLM-IRXDYDNUSA-N 2 2 276.424 2.804 10 0 CFAELP Cc1cc(C)cc([C@@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000043394064 175035247 /nfs/dbraw/zinc/03/52/47/175035247.db2.gz SEOLWJUJLLLPEU-HUUCEWRRSA-N 2 2 264.438 2.741 10 0 CFAELP Cc1cc(C)cc([C@@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)c1 ZINC000043394064 175035249 /nfs/dbraw/zinc/03/52/49/175035249.db2.gz SEOLWJUJLLLPEU-HUUCEWRRSA-N 2 2 264.438 2.741 10 0 CFAELP [NH3+]CC1([N@@H+]2CCO[C@@H]3CCC[C@@H]32)CCCCCCC1 ZINC000043424620 175040218 /nfs/dbraw/zinc/04/02/18/175040218.db2.gz BBLFBQHQUWYWGA-LSDHHAIUSA-N 2 2 266.429 2.682 10 0 CFAELP C[C@@H](C[C@@H](C[NH3+])[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000043534829 175062928 /nfs/dbraw/zinc/06/29/28/175062928.db2.gz ZZQINAKZTXCEOK-HOCLYGCPSA-N 2 2 276.424 2.618 10 0 CFAELP C[C@@H](C[C@@H](C[NH3+])[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000043534829 175062930 /nfs/dbraw/zinc/06/29/30/175062930.db2.gz ZZQINAKZTXCEOK-HOCLYGCPSA-N 2 2 276.424 2.618 10 0 CFAELP Cc1ccc2c(c1)[nH+]c(CC[C@@H]1CCC[NH2+]C1)n2C ZINC000043585988 175071719 /nfs/dbraw/zinc/07/17/19/175071719.db2.gz PCBVMULFYPIECE-ZDUSSCGKSA-N 2 2 257.381 2.814 10 0 CFAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[NH+]1CCCCCCC1)OCCO2 ZINC000043819246 175113859 /nfs/dbraw/zinc/11/38/59/175113859.db2.gz ICAHUEFQTIJZQT-HZPDHXFCSA-N 2 2 296.455 2.526 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@H+](C)Cc1ccncc1 ZINC000043894054 175119410 /nfs/dbraw/zinc/11/94/10/175119410.db2.gz AXZOIQCLRIXMAT-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](C)Cc1ccncc1 ZINC000043894054 175119412 /nfs/dbraw/zinc/11/94/12/175119412.db2.gz AXZOIQCLRIXMAT-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)CCc1ccncc1 ZINC000043902306 175122454 /nfs/dbraw/zinc/12/24/54/175122454.db2.gz HUSHNGCXBHVRFC-IAGOWNOFSA-N 2 2 275.440 2.867 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902306 175122455 /nfs/dbraw/zinc/12/24/55/175122455.db2.gz HUSHNGCXBHVRFC-IAGOWNOFSA-N 2 2 275.440 2.867 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2OC[C@@H]1[N@@H+]1CCC[C@@H]1C ZINC000043903377 175122587 /nfs/dbraw/zinc/12/25/87/175122587.db2.gz GSJGZXMWYVQUEI-NOLJZWGESA-N 2 2 260.381 2.583 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2OC[C@@H]1[N@H+]1CCC[C@@H]1C ZINC000043903377 175122588 /nfs/dbraw/zinc/12/25/88/175122588.db2.gz GSJGZXMWYVQUEI-NOLJZWGESA-N 2 2 260.381 2.583 10 0 CFAELP C[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)Cc1cccc(OC)c1 ZINC000043911841 175123559 /nfs/dbraw/zinc/12/35/59/175123559.db2.gz BPAWOPCVZBBLNP-HZPDHXFCSA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911841 175123560 /nfs/dbraw/zinc/12/35/60/175123560.db2.gz BPAWOPCVZBBLNP-HZPDHXFCSA-N 2 2 262.397 2.658 10 0 CFAELP CC[C@@H]([NH2+]C)[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911493 175123589 /nfs/dbraw/zinc/12/35/89/175123589.db2.gz YAJNZVZOMXCQTP-IUODEOHRSA-N 2 2 250.386 2.514 10 0 CFAELP CC[C@@H]([NH2+]C)[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911493 175123590 /nfs/dbraw/zinc/12/35/90/175123590.db2.gz YAJNZVZOMXCQTP-IUODEOHRSA-N 2 2 250.386 2.514 10 0 CFAELP CC[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)Cc1ccc(F)cc1 ZINC000043911199 175123663 /nfs/dbraw/zinc/12/36/63/175123663.db2.gz GVLMDTQTBVUCMH-CABCVRRESA-N 2 2 250.361 2.788 10 0 CFAELP CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)Cc1ccc(F)cc1 ZINC000043911199 175123664 /nfs/dbraw/zinc/12/36/64/175123664.db2.gz GVLMDTQTBVUCMH-CABCVRRESA-N 2 2 250.361 2.788 10 0 CFAELP CCC[NH2+][C@H](CCC)[C@@H](CC)[NH+](CCOC)CCOC ZINC000043912963 175124279 /nfs/dbraw/zinc/12/42/79/175124279.db2.gz LIHFDZOYOUEAPC-HZPDHXFCSA-N 2 2 288.476 2.528 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@@H+]1CCOCC1(C)C ZINC000043917104 175125452 /nfs/dbraw/zinc/12/54/52/175125452.db2.gz GLCLVDXYLUQVDA-KGLIPLIRSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@H+]1CCOCC1(C)C ZINC000043917104 175125454 /nfs/dbraw/zinc/12/54/54/175125454.db2.gz GLCLVDXYLUQVDA-KGLIPLIRSA-N 2 2 256.434 2.654 10 0 CFAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966550 175127794 /nfs/dbraw/zinc/12/77/94/175127794.db2.gz JVNOTKVFBNQZLN-JONQDZQNSA-N 2 2 268.445 2.654 10 0 CFAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966550 175127795 /nfs/dbraw/zinc/12/77/95/175127795.db2.gz JVNOTKVFBNQZLN-JONQDZQNSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@@H](CC)[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966697 175127825 /nfs/dbraw/zinc/12/78/25/175127825.db2.gz VZGIHOPVCYKZSI-ILXRZTDVSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@@H](CC)[C@@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966697 175127826 /nfs/dbraw/zinc/12/78/26/175127826.db2.gz VZGIHOPVCYKZSI-ILXRZTDVSA-N 2 2 256.434 2.654 10 0 CFAELP CC[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)[N@H+](CC)CCOC ZINC000043968674 175129451 /nfs/dbraw/zinc/12/94/51/175129451.db2.gz CCNQHOPXLGMFLE-YOEHRIQHSA-N 2 2 294.439 2.703 10 0 CFAELP CC[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)[N@@H+](CC)CCOC ZINC000043968674 175129452 /nfs/dbraw/zinc/12/94/52/175129452.db2.gz CCNQHOPXLGMFLE-YOEHRIQHSA-N 2 2 294.439 2.703 10 0 CFAELP CC[NH2+][C@@H](C[N@H+](CC)Cc1ccncc1)C(C)(C)C ZINC000043968887 175129556 /nfs/dbraw/zinc/12/95/56/175129556.db2.gz VULRKEXBQCMJAT-HNNXBMFYSA-N 2 2 263.429 2.928 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+](CC)Cc1ccncc1)C(C)(C)C ZINC000043968887 175129558 /nfs/dbraw/zinc/12/95/58/175129558.db2.gz VULRKEXBQCMJAT-HNNXBMFYSA-N 2 2 263.429 2.928 10 0 CFAELP CC[NH2+][C@H](C[N@H+](CC)[C@@H](C)COC)c1ccccc1 ZINC000043981263 175134318 /nfs/dbraw/zinc/13/43/18/175134318.db2.gz AWWWYPXXRUCQGQ-GOEBONIOSA-N 2 2 264.413 2.694 10 0 CFAELP CC[NH2+][C@H](C[N@@H+](CC)[C@@H](C)COC)c1ccccc1 ZINC000043981263 175134320 /nfs/dbraw/zinc/13/43/20/175134320.db2.gz AWWWYPXXRUCQGQ-GOEBONIOSA-N 2 2 264.413 2.694 10 0 CFAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(OC)ccc1OC ZINC000044482165 175179592 /nfs/dbraw/zinc/17/95/92/175179592.db2.gz APUKTZKFUAODBT-AWEZNQCLSA-N 2 2 289.379 2.710 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@@H+]1CCOc1cccc(Cl)c1 ZINC000044557649 175202463 /nfs/dbraw/zinc/20/24/63/175202463.db2.gz BTIZYMABYKJRMU-ZDUSSCGKSA-N 2 2 268.788 2.532 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@H+]1CCOc1cccc(Cl)c1 ZINC000044557649 175202464 /nfs/dbraw/zinc/20/24/64/175202464.db2.gz BTIZYMABYKJRMU-ZDUSSCGKSA-N 2 2 268.788 2.532 10 0 CFAELP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000044561439 175204752 /nfs/dbraw/zinc/20/47/52/175204752.db2.gz SAMVZNYASKCRSU-HOCLYGCPSA-N 2 2 276.424 2.700 10 0 CFAELP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C)cc1 ZINC000044561439 175204753 /nfs/dbraw/zinc/20/47/53/175204753.db2.gz SAMVZNYASKCRSU-HOCLYGCPSA-N 2 2 276.424 2.700 10 0 CFAELP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C)cc1 ZINC000044561617 175205152 /nfs/dbraw/zinc/20/51/52/175205152.db2.gz PRNOGGMGTXRDQE-DZGCQCFKSA-N 2 2 262.397 2.830 10 0 CFAELP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C)cc1 ZINC000044561617 175205153 /nfs/dbraw/zinc/20/51/53/175205153.db2.gz PRNOGGMGTXRDQE-DZGCQCFKSA-N 2 2 262.397 2.830 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747456 175242920 /nfs/dbraw/zinc/24/29/20/175242920.db2.gz KMAKZHFYIXOKDB-WMLDXEAASA-N 2 2 274.408 2.844 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747456 175242921 /nfs/dbraw/zinc/24/29/21/175242921.db2.gz KMAKZHFYIXOKDB-WMLDXEAASA-N 2 2 274.408 2.844 10 0 CFAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747525 175243054 /nfs/dbraw/zinc/24/30/54/175243054.db2.gz ZLBLBYBYMAQOKA-DYVFJYSZSA-N 2 2 274.408 2.844 10 0 CFAELP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747286 175243194 /nfs/dbraw/zinc/24/31/94/175243194.db2.gz LTFJLKRMSVQLNB-BLLLJJGKSA-N 2 2 271.364 2.644 10 0 CFAELP C[C@]([NH3+])(CC[NH+](C1CCCCC1)C1CCCCC1)C(N)=O ZINC000045222794 175330589 /nfs/dbraw/zinc/33/05/89/175330589.db2.gz RYBCEOOTWNXRMJ-KRWDZBQOSA-N 2 2 295.471 2.547 10 0 CFAELP CCC[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045367411 175363145 /nfs/dbraw/zinc/36/31/45/175363145.db2.gz DQWIFCAOXPOZKX-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@@](C)(CCCC[N@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045367411 175363146 /nfs/dbraw/zinc/36/31/46/175363146.db2.gz DQWIFCAOXPOZKX-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H]1CC)C(=O)OCC ZINC000045367533 175363343 /nfs/dbraw/zinc/36/33/43/175363343.db2.gz IXNNXRYUNZSLHY-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[N@H+]1CCC[C@@H]1CC)C(=O)OCC ZINC000045367533 175363345 /nfs/dbraw/zinc/36/33/45/175363345.db2.gz IXNNXRYUNZSLHY-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045376080 175366103 /nfs/dbraw/zinc/36/61/03/175366103.db2.gz GSMLHARSVCNXRM-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045376080 175366104 /nfs/dbraw/zinc/36/61/04/175366104.db2.gz GSMLHARSVCNXRM-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CC[NH2+][C@](C)(CCCC[NH+]1CCCCCC1)C(=O)OC ZINC000045377454 175367243 /nfs/dbraw/zinc/36/72/43/175367243.db2.gz FHOBBXNVLPCECH-MRXNPFEDSA-N 2 2 284.444 2.574 10 0 CFAELP CC[NH2+][C@@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045379720 175368830 /nfs/dbraw/zinc/36/88/30/175368830.db2.gz UASFCYKALHAIKH-UXLLHSPISA-N 2 2 298.471 2.961 10 0 CFAELP CC[NH2+][C@@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045379720 175368831 /nfs/dbraw/zinc/36/88/31/175368831.db2.gz UASFCYKALHAIKH-UXLLHSPISA-N 2 2 298.471 2.961 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[N@@H+]1CCCC[C@@H]1CC)C(=O)OC ZINC000045384317 175370753 /nfs/dbraw/zinc/37/07/53/175370753.db2.gz FWCFQBRUZRVWPR-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[N@H+]1CCCC[C@@H]1CC)C(=O)OC ZINC000045384317 175370755 /nfs/dbraw/zinc/37/07/55/175370755.db2.gz FWCFQBRUZRVWPR-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309750 176116958 /nfs/dbraw/zinc/11/69/58/176116958.db2.gz WBLIRMLMLVYDCO-ZYHUDNBSSA-N 2 2 270.323 2.643 10 0 CFAELP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309750 176116959 /nfs/dbraw/zinc/11/69/59/176116959.db2.gz WBLIRMLMLVYDCO-ZYHUDNBSSA-N 2 2 270.323 2.643 10 0 CFAELP CC(C)COc1ccc(-c2[nH+]c[nH]c2CC[NH3+])cc1 ZINC000071585478 176210801 /nfs/dbraw/zinc/21/08/01/176210801.db2.gz ZFFSEXMIAVUKTM-UHFFFAOYSA-N 2 2 259.353 2.613 10 0 CFAELP CC(C)([NH3+])C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390640685 262233963 /nfs/dbraw/zinc/23/39/63/262233963.db2.gz KTWBBIJGFIWZEY-ALOPSCKCSA-N 3 2 287.451 2.509 10 0 CFAELP CC(C)([NH3+])C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390640685 262233964 /nfs/dbraw/zinc/23/39/64/262233964.db2.gz KTWBBIJGFIWZEY-ALOPSCKCSA-N 3 2 287.451 2.509 10 0 CFAELP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1F ZINC000396572317 270315332 /nfs/dbraw/zinc/31/53/32/270315332.db2.gz YNXLAUODEQMPMN-WDMOLILDSA-N 2 2 266.360 2.625 10 0 CFAELP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]([NH+](C)C)C1 ZINC000276157135 277464540 /nfs/dbraw/zinc/46/45/40/277464540.db2.gz FQPPZTCCABMQLL-CYBMUJFWSA-N 2 2 285.391 2.692 10 0 CFAELP CSC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000131591810 278133978 /nfs/dbraw/zinc/13/39/78/278133978.db2.gz QGANJUSACVZWQN-GDBMZVCRSA-N 2 2 278.465 2.645 10 0 CFAELP CSC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000131591810 278133979 /nfs/dbraw/zinc/13/39/79/278133979.db2.gz QGANJUSACVZWQN-GDBMZVCRSA-N 2 2 278.465 2.645 10 0 CFAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000344741000 288097524 /nfs/dbraw/zinc/09/75/24/288097524.db2.gz NEULLOXAZIRXFC-IKWCTNDRSA-N 2 2 278.362 2.895 10 0 CFAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000344741000 288097527 /nfs/dbraw/zinc/09/75/27/288097527.db2.gz NEULLOXAZIRXFC-IKWCTNDRSA-N 2 2 278.362 2.895 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2c3ccccc3C[C@H]2C)C1 ZINC000247180334 279322975 /nfs/dbraw/zinc/32/29/75/279322975.db2.gz VCRKHDQLFNCRSY-KMFMINBZSA-N 2 2 258.409 2.994 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2c3ccccc3C[C@H]2C)C1 ZINC000247180334 279322976 /nfs/dbraw/zinc/32/29/76/279322976.db2.gz VCRKHDQLFNCRSY-KMFMINBZSA-N 2 2 258.409 2.994 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CCc2ccco2)C1 ZINC000250369921 281069612 /nfs/dbraw/zinc/06/96/12/281069612.db2.gz VMHAGAJDKDVYKD-ZIAGYGMSSA-N 2 2 250.386 2.675 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CCc2ccco2)C1 ZINC000250369921 281069616 /nfs/dbraw/zinc/06/96/16/281069616.db2.gz VMHAGAJDKDVYKD-ZIAGYGMSSA-N 2 2 250.386 2.675 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2)C1 ZINC000252714472 281077173 /nfs/dbraw/zinc/07/71/73/281077173.db2.gz SBJXODAGYVKHGJ-CJNGLKHVSA-N 2 2 264.388 2.831 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2)C1 ZINC000252714472 281077174 /nfs/dbraw/zinc/07/71/74/281077174.db2.gz SBJXODAGYVKHGJ-CJNGLKHVSA-N 2 2 264.388 2.831 10 0 CFAELP COc1cccc(Cl)c1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000560967055 282044440 /nfs/dbraw/zinc/04/44/40/282044440.db2.gz VQSKXGMMAYSECQ-RYUDHWBXSA-N 2 2 282.815 2.826 10 0 CFAELP COc1cccc(Cl)c1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000560967056 282044624 /nfs/dbraw/zinc/04/46/24/282044624.db2.gz VQSKXGMMAYSECQ-VXGBXAGGSA-N 2 2 282.815 2.826 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000171050597 322398578 /nfs/dbraw/zinc/39/85/78/322398578.db2.gz KFYDLJPBAQNPRG-INIZCTEOSA-N 2 2 272.392 2.536 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000171050597 322398580 /nfs/dbraw/zinc/39/85/80/322398580.db2.gz KFYDLJPBAQNPRG-INIZCTEOSA-N 2 2 272.392 2.536 10 0 CFAELP CC(C)n1cc[nH+]c1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000573614728 322662890 /nfs/dbraw/zinc/66/28/90/322662890.db2.gz OHISITPPSSPSAR-GJZGRUSLSA-N 2 2 276.428 2.571 10 0 CFAELP CC(C)C1CCC(C[NH3+])([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000054556936 519561499 /nfs/dbraw/zinc/56/14/99/519561499.db2.gz CIFOPNHLSDEWHW-PJPHBNEVSA-N 2 2 268.445 2.639 10 0 CFAELP CC[NH2+]C[C@H](C(C)C)[N@H+](CCOC)C(CC)CC ZINC000052573260 519957132 /nfs/dbraw/zinc/95/71/32/519957132.db2.gz UMTYONWXBOWBKW-OAHLLOKOSA-N 2 2 258.450 2.758 10 0 CFAELP CC[NH2+]C[C@H](C(C)C)[N@@H+](CCOC)C(CC)CC ZINC000052573260 519957139 /nfs/dbraw/zinc/95/71/39/519957139.db2.gz UMTYONWXBOWBKW-OAHLLOKOSA-N 2 2 258.450 2.758 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000069429751 521310474 /nfs/dbraw/zinc/31/04/74/521310474.db2.gz QWEBCUCCFXRDPZ-CQSZACIVSA-N 2 2 262.397 2.742 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000069429751 521310486 /nfs/dbraw/zinc/31/04/86/521310486.db2.gz QWEBCUCCFXRDPZ-CQSZACIVSA-N 2 2 262.397 2.742 10 0 CFAELP CC(C)C[NH2+]Cc1ccoc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000052380315 519748017 /nfs/dbraw/zinc/74/80/17/519748017.db2.gz ITJCUGAXWHWLIK-ZIAGYGMSSA-N 2 2 280.412 2.634 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000049199014 519793729 /nfs/dbraw/zinc/79/37/29/519793729.db2.gz PPASSXUFVPRLPV-QGZVFWFLSA-N 2 2 286.423 2.548 10 0 CFAELP CC(C)[C@@H](C[NH2+]C(C)(C)C)[N@H+](C)CCc1ccccn1 ZINC000052423734 519794821 /nfs/dbraw/zinc/79/48/21/519794821.db2.gz ZCBQDTRSTAMPNE-MRXNPFEDSA-N 2 2 277.456 2.969 10 0 CFAELP CC(C)[C@@H](C[NH2+]C(C)(C)C)[N@@H+](C)CCc1ccccn1 ZINC000052423734 519794822 /nfs/dbraw/zinc/79/48/22/519794822.db2.gz ZCBQDTRSTAMPNE-MRXNPFEDSA-N 2 2 277.456 2.969 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+]Cc1cccc2cccnc21 ZINC000049197051 519814506 /nfs/dbraw/zinc/81/45/06/519814506.db2.gz DDSDTTXONYGPCS-INIZCTEOSA-N 2 2 271.408 2.911 10 0 CFAELP CCC[NH+]1CCC([C@@H](C)[NH2+]CC[NH+]2CCCCC2)CC1 ZINC000049574796 519847899 /nfs/dbraw/zinc/84/78/99/519847899.db2.gz OPXZPNZBWVUWGJ-MRXNPFEDSA-N 3 2 281.488 2.572 10 0 CFAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(C)s1 ZINC000054629146 519908378 /nfs/dbraw/zinc/90/83/78/519908378.db2.gz MZNBQBCOSYIGGR-AGUYFDCRSA-N 2 2 279.453 2.947 10 0 CFAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(C)s1 ZINC000054629146 519908381 /nfs/dbraw/zinc/90/83/81/519908381.db2.gz MZNBQBCOSYIGGR-AGUYFDCRSA-N 2 2 279.453 2.947 10 0 CFAELP CC(C)n1cc[nH+]c1CN1CC[NH2+]Cc2ccccc21 ZINC000336127036 520030287 /nfs/dbraw/zinc/03/02/87/520030287.db2.gz DSKUEZDAMZIHLK-UHFFFAOYSA-N 2 2 270.380 2.574 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@H]1[NH+]1CCC(CCC)CC1 ZINC000050893679 520096798 /nfs/dbraw/zinc/09/67/98/520096798.db2.gz HSEYAUGHVVAUNY-JKSUJKDBSA-N 2 2 268.445 2.656 10 0 CFAELP CC[NH+](CC)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052378080 520763467 /nfs/dbraw/zinc/76/34/67/520763467.db2.gz PRBUHUDDALAUMT-UHFFFAOYSA-N 2 2 255.431 2.731 10 0 CFAELP CC[N@H+](C[C@@H]1CCCO1)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546307 521227782 /nfs/dbraw/zinc/22/77/82/521227782.db2.gz OTUKHUQFMKCFIP-HOCLYGCPSA-N 2 2 280.387 2.635 10 0 CFAELP CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546307 521227794 /nfs/dbraw/zinc/22/77/94/521227794.db2.gz OTUKHUQFMKCFIP-HOCLYGCPSA-N 2 2 280.387 2.635 10 0 CFAELP CCCC[C@](CC)(C[NH3+])[N@H+](C)CC1CCOCC1 ZINC000069381254 521254214 /nfs/dbraw/zinc/25/42/14/521254214.db2.gz OKQDYCYXBRXFBV-OAHLLOKOSA-N 2 2 256.434 2.643 10 0 CFAELP CCCC[C@](CC)(C[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000069381254 521254218 /nfs/dbraw/zinc/25/42/18/521254218.db2.gz OKQDYCYXBRXFBV-OAHLLOKOSA-N 2 2 256.434 2.643 10 0 CFAELP CCOc1ccccc1OCC[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000088402468 521563519 /nfs/dbraw/zinc/56/35/19/521563519.db2.gz QBUFVQVJNCKCOB-HUUCEWRRSA-N 2 2 292.423 2.523 10 0 CFAELP CCOc1ccccc1OCC[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000088402468 521563527 /nfs/dbraw/zinc/56/35/27/521563527.db2.gz QBUFVQVJNCKCOB-HUUCEWRRSA-N 2 2 292.423 2.523 10 0 CFAELP CCOc1ccccc1OCC[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000088402466 521563710 /nfs/dbraw/zinc/56/37/10/521563710.db2.gz QBUFVQVJNCKCOB-LSDHHAIUSA-N 2 2 292.423 2.523 10 0 CFAELP CCOc1ccccc1OCC[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000088402466 521563716 /nfs/dbraw/zinc/56/37/16/521563716.db2.gz QBUFVQVJNCKCOB-LSDHHAIUSA-N 2 2 292.423 2.523 10 0 CFAELP C[NH2+]Cc1nc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)cs1 ZINC000052482175 522151134 /nfs/dbraw/zinc/15/11/34/522151134.db2.gz NIJXSUBMCBUFOP-CHWSQXEVSA-N 2 2 279.453 2.875 10 0 CFAELP C[NH2+]Cc1nc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cs1 ZINC000052482175 522151142 /nfs/dbraw/zinc/15/11/42/522151142.db2.gz NIJXSUBMCBUFOP-CHWSQXEVSA-N 2 2 279.453 2.875 10 0 CFAELP CNc1[nH+]c2cc(OC)ccc2cc1Cn1cc[nH+]c1C ZINC000050818394 522689192 /nfs/dbraw/zinc/68/91/92/522689192.db2.gz APHHSOXIESWBRD-UHFFFAOYSA-N 2 2 282.347 2.838 10 0 CFAELP CC[C@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596723 523110657 /nfs/dbraw/zinc/11/06/57/523110657.db2.gz LHGFVKQVGLKAIH-GJZGRUSLSA-N 2 2 262.397 2.878 10 0 CFAELP CC[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596723 523110671 /nfs/dbraw/zinc/11/06/71/523110671.db2.gz LHGFVKQVGLKAIH-GJZGRUSLSA-N 2 2 262.397 2.878 10 0 CFAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccc3c(c2)OCCO3)[C@@H]1C ZINC000050563736 524244511 /nfs/dbraw/zinc/24/45/11/524244511.db2.gz NIPRGQZDPTXWHM-NFAWXSAZSA-N 2 2 290.407 2.578 10 0 CFAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc3c(c2)OCCO3)[C@@H]1C ZINC000050563736 524244520 /nfs/dbraw/zinc/24/45/20/524244520.db2.gz NIPRGQZDPTXWHM-NFAWXSAZSA-N 2 2 290.407 2.578 10 0 CFAELP Cc1cc(C)c(Cn2cc[nH+]c2C[C@@H](C)[NH3+])c(C)c1 ZINC000062802913 524276743 /nfs/dbraw/zinc/27/67/43/524276743.db2.gz HPGNHVWVDLHQJJ-CQSZACIVSA-N 2 2 257.381 2.746 10 0 CFAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000049151252 524318425 /nfs/dbraw/zinc/31/84/25/524318425.db2.gz OTPUIUOHTFMTIT-ZIAGYGMSSA-N 2 2 274.408 2.756 10 0 CFAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@@H+](C)[C@@H]1CCSC1 ZINC000050578487 525007907 /nfs/dbraw/zinc/00/79/07/525007907.db2.gz JPFQOSWTLXFGLF-OCCSQVGLSA-N 2 2 268.401 2.571 10 0 CFAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@H+](C)[C@@H]1CCSC1 ZINC000050578487 525007918 /nfs/dbraw/zinc/00/79/18/525007918.db2.gz JPFQOSWTLXFGLF-OCCSQVGLSA-N 2 2 268.401 2.571 10 0 CFAELP C[C@@H]1C[NH2+][C@H](C)CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000051017768 525107457 /nfs/dbraw/zinc/10/74/57/525107457.db2.gz WFLCQLYIBMODAO-VXGBXAGGSA-N 2 2 268.351 2.785 10 0 CFAELP C[C@@H]1C[NH2+][C@H](C)CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000051017768 525107464 /nfs/dbraw/zinc/10/74/64/525107464.db2.gz WFLCQLYIBMODAO-VXGBXAGGSA-N 2 2 268.351 2.785 10 0 CFAELP COc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)cc1 ZINC000049149462 525158202 /nfs/dbraw/zinc/15/82/02/525158202.db2.gz SJIQEELRHCOXDI-UONOGXRCSA-N 2 2 262.397 2.830 10 0 CFAELP Cc1cc([C@H](C[NH3+])[N@H+](C)CCc2ccncc2)ccc1F ZINC000050546142 525536024 /nfs/dbraw/zinc/53/60/24/525536024.db2.gz KHBVZLZIKXDBPT-KRWDZBQOSA-N 2 2 287.382 2.703 10 0 CFAELP Cc1cc([C@H](C[NH3+])[N@@H+](C)CCc2ccncc2)ccc1F ZINC000050546142 525536030 /nfs/dbraw/zinc/53/60/30/525536030.db2.gz KHBVZLZIKXDBPT-KRWDZBQOSA-N 2 2 287.382 2.703 10 0 CFAELP Cc1cc([C@H](C[NH3+])[N@H+](C)CCc2ccccn2)ccc1F ZINC000050545934 525536378 /nfs/dbraw/zinc/53/63/78/525536378.db2.gz QPJLFBVCTKGAGC-KRWDZBQOSA-N 2 2 287.382 2.703 10 0 CFAELP Cc1cc([C@H](C[NH3+])[N@@H+](C)CCc2ccccn2)ccc1F ZINC000050545934 525536384 /nfs/dbraw/zinc/53/63/84/525536384.db2.gz QPJLFBVCTKGAGC-KRWDZBQOSA-N 2 2 287.382 2.703 10 0 CFAELP CSC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000069434789 525682975 /nfs/dbraw/zinc/68/29/75/525682975.db2.gz UADDOCHYCWCERW-ZBFHGGJFSA-N 2 2 278.465 2.850 10 0 CFAELP CSC[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000069434789 525682984 /nfs/dbraw/zinc/68/29/84/525682984.db2.gz UADDOCHYCWCERW-ZBFHGGJFSA-N 2 2 278.465 2.850 10 0 CFAELP Cc1cc2[nH+]cn(Cc3ccc(N)[nH+]c3)c2cc1C ZINC000050829079 525686705 /nfs/dbraw/zinc/68/67/05/525686705.db2.gz KCVIBPDIDLQYAU-UHFFFAOYSA-N 2 2 252.321 2.679 10 0 CFAELP C[C@@H]1c2ccsc2CC[N@H+]1Cc1cc[nH+]c(NN)c1 ZINC000052719133 525734883 /nfs/dbraw/zinc/73/48/83/525734883.db2.gz AJUSARMRPBWMHD-SNVBAGLBSA-N 2 2 274.393 2.548 10 0 CFAELP C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc[nH+]c(NN)c1 ZINC000052719133 525734889 /nfs/dbraw/zinc/73/48/89/525734889.db2.gz AJUSARMRPBWMHD-SNVBAGLBSA-N 2 2 274.393 2.548 10 0 CFAELP COc1cccc(C[N@H+](C)[C@H](C[NH2+]C2CC2)C(C)C)c1 ZINC000052372853 525915907 /nfs/dbraw/zinc/91/59/07/525915907.db2.gz GWMGKMPAOVDASK-QGZVFWFLSA-N 2 2 276.424 2.904 10 0 CFAELP COc1cccc(C[N@@H+](C)[C@H](C[NH2+]C2CC2)C(C)C)c1 ZINC000052372853 525915914 /nfs/dbraw/zinc/91/59/14/525915914.db2.gz GWMGKMPAOVDASK-QGZVFWFLSA-N 2 2 276.424 2.904 10 0 CFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000192037685 526076064 /nfs/dbraw/zinc/07/60/64/526076064.db2.gz KQERRVWABFLLLL-GJZGRUSLSA-N 2 2 285.391 2.790 10 0 CFAELP C[C@H](c1cccs1)[N@H+](C)[C@]1(C[NH3+])CCCSC1 ZINC000061590208 526155010 /nfs/dbraw/zinc/15/50/10/526155010.db2.gz XHQVHHGHEJOTSZ-YPMHNXCESA-N 2 2 270.467 2.965 10 0 CFAELP C[C@H](c1cccs1)[N@@H+](C)[C@]1(C[NH3+])CCCSC1 ZINC000061590208 526155019 /nfs/dbraw/zinc/15/50/19/526155019.db2.gz XHQVHHGHEJOTSZ-YPMHNXCESA-N 2 2 270.467 2.965 10 0 CFAELP Cc1oc(C[N@@H+]2CCO[C@@H](C)C2)cc1C[NH2+]CC(C)C ZINC000052382376 526772179 /nfs/dbraw/zinc/77/21/79/526772179.db2.gz PVUIOHYNDHTLKD-ZDUSSCGKSA-N 2 2 280.412 2.554 10 0 CFAELP Cc1oc(C[N@H+]2CCO[C@@H](C)C2)cc1C[NH2+]CC(C)C ZINC000052382376 526772183 /nfs/dbraw/zinc/77/21/83/526772183.db2.gz PVUIOHYNDHTLKD-ZDUSSCGKSA-N 2 2 280.412 2.554 10 0 CFAELP Cc1oc(C[NH2+]C(C)(C)C)cc1C[N@H+]1CCOC[C@H]1C ZINC000052476092 526774065 /nfs/dbraw/zinc/77/40/65/526774065.db2.gz UBIDOCBIBKLPTD-GFCCVEGCSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1oc(C[NH2+]C(C)(C)C)cc1C[N@@H+]1CCOC[C@H]1C ZINC000052476092 526774070 /nfs/dbraw/zinc/77/40/70/526774070.db2.gz UBIDOCBIBKLPTD-GFCCVEGCSA-N 2 2 280.412 2.697 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000219743557 527209166 /nfs/dbraw/zinc/20/91/66/527209166.db2.gz HZRIVGQCLQBUED-LBPRGKRZSA-N 2 2 288.313 2.898 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000219743557 527209176 /nfs/dbraw/zinc/20/91/76/527209176.db2.gz HZRIVGQCLQBUED-LBPRGKRZSA-N 2 2 288.313 2.898 10 0 CFAELP [NH3+]Cc1cc(N2CCC[C@@H]2c2ccccc2)cc[nH+]1 ZINC000061811582 527248515 /nfs/dbraw/zinc/24/85/15/527248515.db2.gz NYIVYSNWMOXYQN-MRXNPFEDSA-N 2 2 253.349 2.882 10 0 CFAELP FC(F)(F)c1ccccc1C[NH+]1CCC[NH2+]CCC1 ZINC000061627492 527686713 /nfs/dbraw/zinc/68/67/13/527686713.db2.gz PBUOJYVBYADQJK-UHFFFAOYSA-N 2 2 272.314 2.891 10 0 CFAELP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262075178 619488983 /nfs/dbraw/zinc/48/89/83/619488983.db2.gz SLGLOCJNRVGNFM-GWCFXTLKSA-N 2 2 272.314 2.793 10 0 CFAELP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262075178 619488984 /nfs/dbraw/zinc/48/89/84/619488984.db2.gz SLGLOCJNRVGNFM-GWCFXTLKSA-N 2 2 272.314 2.793 10 0 CFAELP CCC[NH2+]Cc1sc(C[NH+](C)C)nc1CCC ZINC000082428593 178004170 /nfs/dbraw/zinc/00/41/70/178004170.db2.gz FWCISDGUUILJOW-UHFFFAOYSA-N 2 2 255.431 2.657 10 0 CFAELP C[NH+]1CCC([NH+]2CCC3(Cc4ccccc4O3)CC2)CC1 ZINC000114727928 347774707 /nfs/dbraw/zinc/77/47/07/347774707.db2.gz VMXOYDQHXQBOJZ-UHFFFAOYSA-N 2 2 286.419 2.550 10 0 CFAELP COc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2[NH3+])cc1 ZINC000118648861 347797985 /nfs/dbraw/zinc/79/79/85/347797985.db2.gz YKRVJJLOBWHORJ-MSOLQXFVSA-N 2 2 282.387 2.622 10 0 CFAELP COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2[NH3+])cc1 ZINC000118648861 347797989 /nfs/dbraw/zinc/79/79/89/347797989.db2.gz YKRVJJLOBWHORJ-MSOLQXFVSA-N 2 2 282.387 2.622 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000252196218 348295323 /nfs/dbraw/zinc/29/53/23/348295323.db2.gz VOPJZKPGFHPNKZ-LXTVHRRPSA-N 2 2 256.434 2.508 10 0 CFAELP Cc1ncsc1C[N@@H+](C)C1(C[NH3+])CCCCCC1 ZINC000104447057 186005050 /nfs/dbraw/zinc/00/50/50/186005050.db2.gz ZZONQUFPACQADN-UHFFFAOYSA-N 2 2 267.442 2.935 10 0 CFAELP Cc1ncsc1C[N@H+](C)C1(C[NH3+])CCCCCC1 ZINC000104447057 186005052 /nfs/dbraw/zinc/00/50/52/186005052.db2.gz ZZONQUFPACQADN-UHFFFAOYSA-N 2 2 267.442 2.935 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1cccc2ccncc21 ZINC000616616688 352385704 /nfs/dbraw/zinc/38/57/04/352385704.db2.gz TWHUXCCHKJRUCF-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1cccc2ccncc21 ZINC000616616688 352385706 /nfs/dbraw/zinc/38/57/06/352385706.db2.gz TWHUXCCHKJRUCF-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cnc3ccccc3c2)CC1 ZINC000616627539 352389926 /nfs/dbraw/zinc/38/99/26/352389926.db2.gz GSGSVJPSOFCPDH-AWEZNQCLSA-N 2 2 269.392 2.763 10 0 CFAELP [NH3+]CC[N@H+]1CCC[C@H](c2cnc3ccccc3c2)CC1 ZINC000616627539 352389929 /nfs/dbraw/zinc/38/99/29/352389929.db2.gz GSGSVJPSOFCPDH-AWEZNQCLSA-N 2 2 269.392 2.763 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623887173 353749086 /nfs/dbraw/zinc/74/90/86/353749086.db2.gz WPHXGIQQKJBSMB-RRFJBIMHSA-N 2 2 256.434 2.510 10 0 CFAELP Fc1ccccc1[C@]1(F)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261763214 283031231 /nfs/dbraw/zinc/03/12/31/283031231.db2.gz MNUAWILFFOJNQY-BBRMVZONSA-N 2 2 280.362 2.696 10 0 CFAELP Fc1ccccc1[C@]1(F)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261763214 283031236 /nfs/dbraw/zinc/03/12/36/283031236.db2.gz MNUAWILFFOJNQY-BBRMVZONSA-N 2 2 280.362 2.696 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Br)cc1 ZINC000675054535 540355214 /nfs/dbraw/zinc/35/52/14/540355214.db2.gz OATQMRJWKBUNAI-CHWSQXEVSA-N 2 2 283.213 2.933 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Br)cc1 ZINC000675054535 540355217 /nfs/dbraw/zinc/35/52/17/540355217.db2.gz OATQMRJWKBUNAI-CHWSQXEVSA-N 2 2 283.213 2.933 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccnc1Cl ZINC000178309817 189105677 /nfs/dbraw/zinc/10/56/77/189105677.db2.gz SSHTUPVLDFXRLV-CQSZACIVSA-N 2 2 290.798 2.905 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccnc1Cl ZINC000178309817 189105678 /nfs/dbraw/zinc/10/56/78/189105678.db2.gz SSHTUPVLDFXRLV-CQSZACIVSA-N 2 2 290.798 2.905 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000180130762 189238371 /nfs/dbraw/zinc/23/83/71/189238371.db2.gz XAECVFZYZLMDFR-OAHLLOKOSA-N 2 2 271.364 2.562 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(O)c1 ZINC000180130762 189238372 /nfs/dbraw/zinc/23/83/72/189238372.db2.gz XAECVFZYZLMDFR-OAHLLOKOSA-N 2 2 271.364 2.562 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccs1 ZINC000180123880 189237815 /nfs/dbraw/zinc/23/78/15/189237815.db2.gz DOQZFMWGSKOBNU-CYBMUJFWSA-N 2 2 261.394 2.918 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccs1 ZINC000180123880 189237816 /nfs/dbraw/zinc/23/78/16/189237816.db2.gz DOQZFMWGSKOBNU-CYBMUJFWSA-N 2 2 261.394 2.918 10 0 CFAELP c1cn2c(cccc2C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)[nH+]1 ZINC000180262623 189247227 /nfs/dbraw/zinc/24/72/27/189247227.db2.gz ICPMRIFENRLOFI-OAHLLOKOSA-N 2 2 281.363 2.785 10 0 CFAELP c1cn2c(cccc2C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)[nH+]1 ZINC000180262623 189247228 /nfs/dbraw/zinc/24/72/28/189247228.db2.gz ICPMRIFENRLOFI-OAHLLOKOSA-N 2 2 281.363 2.785 10 0 CFAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cn2cc(C)ccc2[nH+]1 ZINC000180845696 189279170 /nfs/dbraw/zinc/27/91/70/189279170.db2.gz XYZBJGJYFARTSJ-DLBZAZTESA-N 2 2 298.434 2.701 10 0 CFAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cn2cc(C)ccc2[nH+]1 ZINC000180845696 189279171 /nfs/dbraw/zinc/27/91/71/189279171.db2.gz XYZBJGJYFARTSJ-DLBZAZTESA-N 2 2 298.434 2.701 10 0 CFAELP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000667005620 541173620 /nfs/dbraw/zinc/17/36/20/541173620.db2.gz XNZVOZKTHZUJTO-SRVKXCTJSA-N 2 2 253.415 2.572 10 0 CFAELP C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400325938 299412481 /nfs/dbraw/zinc/41/24/81/299412481.db2.gz AILFZGHQMTVYAB-LXZKKBNFSA-N 2 2 270.376 2.957 10 0 CFAELP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000022007237 372244289 /nfs/dbraw/zinc/24/42/89/372244289.db2.gz BCXAOEQLKWKVHU-SJLPKXTDSA-N 2 2 270.420 2.790 10 0 in-vitro CFAELP Cc1cc([C@@H]([NH3+])C[NH3+])cc(C)c1OCc1ccccc1 ZINC000044470284 373004862 /nfs/dbraw/zinc/00/48/62/373004862.db2.gz OXGPMIYQHJDULH-INIZCTEOSA-N 2 2 270.376 2.841 10 0 CFAELP CCCc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2ccncc2)[nH+]1 ZINC000070456502 374181624 /nfs/dbraw/zinc/18/16/24/374181624.db2.gz DXFLPUIBEASOTH-HNNXBMFYSA-N 2 2 297.406 2.655 10 0 CFAELP CCC[C@H](C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)[NH+](C)C ZINC000094106202 375343324 /nfs/dbraw/zinc/34/33/24/375343324.db2.gz LUAUWKWLGMZGQF-CQSZACIVSA-N 2 2 286.379 2.746 10 0 CFAELP [NH3+]CCCNc1c(C(=O)C(F)(F)F)c[nH+]c2ccccc21 ZINC000097757693 375583929 /nfs/dbraw/zinc/58/39/29/375583929.db2.gz UREUBHSVBGZIQE-UHFFFAOYSA-N 2 2 297.280 2.741 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOC(C)(C)C)C1 ZINC000105897807 375793132 /nfs/dbraw/zinc/79/31/32/375793132.db2.gz YITGCPRRBGAVAN-AWEZNQCLSA-N 2 2 279.428 2.898 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOC(C)(C)C)C1 ZINC000105897807 375793139 /nfs/dbraw/zinc/79/31/39/375793139.db2.gz YITGCPRRBGAVAN-AWEZNQCLSA-N 2 2 279.428 2.898 10 0 CFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000119153588 376363260 /nfs/dbraw/zinc/36/32/60/376363260.db2.gz RNYHLVJAJPCAHU-XYPHTWIQSA-N 2 2 258.409 2.992 10 0 CFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000119153588 376363261 /nfs/dbraw/zinc/36/32/61/376363261.db2.gz RNYHLVJAJPCAHU-XYPHTWIQSA-N 2 2 258.409 2.992 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cc[nH+]cc1C ZINC000121509478 376848331 /nfs/dbraw/zinc/84/83/31/376848331.db2.gz VWWUOFIQAPBJQI-AWEZNQCLSA-N 2 2 299.378 2.591 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnoc2C)C1 ZINC000128553357 377347089 /nfs/dbraw/zinc/34/70/89/377347089.db2.gz SALSQAPMQSPULD-AWEZNQCLSA-N 2 2 274.368 2.579 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnoc2C)C1 ZINC000128553357 377347096 /nfs/dbraw/zinc/34/70/96/377347096.db2.gz SALSQAPMQSPULD-AWEZNQCLSA-N 2 2 274.368 2.579 10 0 CFAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nccs3)C2)[nH+]1 ZINC000135091889 378081336 /nfs/dbraw/zinc/08/13/36/378081336.db2.gz NQSAWZZARNYTOY-CYBMUJFWSA-N 2 2 288.420 2.781 10 0 CFAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nccs3)C2)[nH+]1 ZINC000135091889 378081340 /nfs/dbraw/zinc/08/13/40/378081340.db2.gz NQSAWZZARNYTOY-CYBMUJFWSA-N 2 2 288.420 2.781 10 0 CFAELP c1ccc(OCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171646968 379364203 /nfs/dbraw/zinc/36/42/03/379364203.db2.gz QCGKXYBEGZXRAQ-INIZCTEOSA-N 2 2 297.402 2.894 10 0 CFAELP c1ccc(OCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171646968 379364209 /nfs/dbraw/zinc/36/42/09/379364209.db2.gz QCGKXYBEGZXRAQ-INIZCTEOSA-N 2 2 297.402 2.894 10 0 CFAELP CCCC[C@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000180573925 380678086 /nfs/dbraw/zinc/67/80/86/380678086.db2.gz HAODTHMEDNVNBP-UONOGXRCSA-N 2 2 291.443 2.655 10 0 CFAELP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000295382092 380821107 /nfs/dbraw/zinc/82/11/07/380821107.db2.gz APYOZRSBFJILMD-WBTNSWJXSA-N 2 2 276.424 2.662 10 0 CFAELP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000295382092 380821115 /nfs/dbraw/zinc/82/11/15/380821115.db2.gz APYOZRSBFJILMD-WBTNSWJXSA-N 2 2 276.424 2.662 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000187241831 382137574 /nfs/dbraw/zinc/13/75/74/382137574.db2.gz XYZBOVSSDQWCGW-DOTOQJQBSA-N 2 2 260.425 2.939 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000187241831 382137584 /nfs/dbraw/zinc/13/75/84/382137584.db2.gz XYZBOVSSDQWCGW-DOTOQJQBSA-N 2 2 260.425 2.939 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000389268986 382612602 /nfs/dbraw/zinc/61/26/02/382612602.db2.gz QOXXSVQNMUJLTC-WMLDXEAASA-N 2 2 274.408 2.756 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000389268986 382612605 /nfs/dbraw/zinc/61/26/05/382612605.db2.gz QOXXSVQNMUJLTC-WMLDXEAASA-N 2 2 274.408 2.756 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000389535534 382615706 /nfs/dbraw/zinc/61/57/06/382615706.db2.gz JDLMEENYLYCQMY-GFCCVEGCSA-N 2 2 298.814 2.541 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000389535534 382615710 /nfs/dbraw/zinc/61/57/10/382615710.db2.gz JDLMEENYLYCQMY-GFCCVEGCSA-N 2 2 298.814 2.541 10 0 CFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000190462134 382669300 /nfs/dbraw/zinc/66/93/00/382669300.db2.gz GFXMHGFHODWIRR-AWEZNQCLSA-N 2 2 281.469 2.861 10 0 CFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000190462134 382669301 /nfs/dbraw/zinc/66/93/01/382669301.db2.gz GFXMHGFHODWIRR-AWEZNQCLSA-N 2 2 281.469 2.861 10 0 CFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(C)C)C1 ZINC000190462134 382669302 /nfs/dbraw/zinc/66/93/02/382669302.db2.gz GFXMHGFHODWIRR-AWEZNQCLSA-N 2 2 281.469 2.861 10 0 CFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(C)C)C1 ZINC000190462134 382669303 /nfs/dbraw/zinc/66/93/03/382669303.db2.gz GFXMHGFHODWIRR-AWEZNQCLSA-N 2 2 281.469 2.861 10 0 CFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccco2)C1 ZINC000190490762 382670787 /nfs/dbraw/zinc/67/07/87/382670787.db2.gz FMUATFILYYKAEL-INIZCTEOSA-N 2 2 285.391 2.629 10 0 CFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccco2)C1 ZINC000190490762 382670789 /nfs/dbraw/zinc/67/07/89/382670789.db2.gz FMUATFILYYKAEL-INIZCTEOSA-N 2 2 285.391 2.629 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000190490762 382670790 /nfs/dbraw/zinc/67/07/90/382670790.db2.gz FMUATFILYYKAEL-INIZCTEOSA-N 2 2 285.391 2.629 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000190490762 382670792 /nfs/dbraw/zinc/67/07/92/382670792.db2.gz FMUATFILYYKAEL-INIZCTEOSA-N 2 2 285.391 2.629 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000211759981 382775579 /nfs/dbraw/zinc/77/55/79/382775579.db2.gz BBCBBWNYQXYRIJ-JKSUJKDBSA-N 2 2 278.827 2.881 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000211759981 382775580 /nfs/dbraw/zinc/77/55/80/382775580.db2.gz BBCBBWNYQXYRIJ-JKSUJKDBSA-N 2 2 278.827 2.881 10 0 CFAELP C[N@H+](Cc1ccc(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000231453976 382864885 /nfs/dbraw/zinc/86/48/85/382864885.db2.gz SRZHRLTXEPTJOQ-ZDUSSCGKSA-N 2 2 254.324 2.539 10 0 CFAELP C[N@@H+](Cc1ccc(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000231453976 382864888 /nfs/dbraw/zinc/86/48/88/382864888.db2.gz SRZHRLTXEPTJOQ-ZDUSSCGKSA-N 2 2 254.324 2.539 10 0 CFAELP Cc1ccc(F)c(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC000234328236 382873949 /nfs/dbraw/zinc/87/39/49/382873949.db2.gz CZMPESRRKYDZSF-CYBMUJFWSA-N 2 2 250.361 2.566 10 0 CFAELP Cc1ccc(F)c(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC000234328236 382873951 /nfs/dbraw/zinc/87/39/51/382873951.db2.gz CZMPESRRKYDZSF-CYBMUJFWSA-N 2 2 250.361 2.566 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)C1 ZINC000248720308 383283826 /nfs/dbraw/zinc/28/38/26/383283826.db2.gz CFTMSKLWZMARBN-RRFJBIMHSA-N 2 2 268.445 2.652 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)C1 ZINC000248720308 383283830 /nfs/dbraw/zinc/28/38/30/383283830.db2.gz CFTMSKLWZMARBN-RRFJBIMHSA-N 2 2 268.445 2.652 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000250228454 383373745 /nfs/dbraw/zinc/37/37/45/383373745.db2.gz FTKOGTYVNOADOM-DLBZAZTESA-N 2 2 258.409 2.618 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000250228454 383373749 /nfs/dbraw/zinc/37/37/49/383373749.db2.gz FTKOGTYVNOADOM-DLBZAZTESA-N 2 2 258.409 2.618 10 0 CFAELP CC(C)(C)c1nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000261601538 383526609 /nfs/dbraw/zinc/52/66/09/383526609.db2.gz QEHGOIYIHPGEQR-UHTWSYAYSA-N 2 2 279.453 2.610 10 0 CFAELP CC(C)(C)c1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000261601538 383526613 /nfs/dbraw/zinc/52/66/13/383526613.db2.gz QEHGOIYIHPGEQR-UHTWSYAYSA-N 2 2 279.453 2.610 10 0 CFAELP CC(C)(C)c1cnc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000262038324 383598697 /nfs/dbraw/zinc/59/86/97/383598697.db2.gz XZGMJJRFVKQHBD-TUAOUCFPSA-N 2 2 279.453 2.610 10 0 CFAELP CC(C)(C)c1cnc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000262038324 383598701 /nfs/dbraw/zinc/59/87/01/383598701.db2.gz XZGMJJRFVKQHBD-TUAOUCFPSA-N 2 2 279.453 2.610 10 0 CFAELP CC[C@@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)CC[C@@H]1[NH3+] ZINC000123012428 413010910 /nfs/dbraw/zinc/01/09/10/413010910.db2.gz LTHWFVBLBLUJPT-KOLCDFICSA-N 2 2 273.302 2.664 10 0 CFAELP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000358400155 394107003 /nfs/dbraw/zinc/10/70/03/394107003.db2.gz LHOCOGUASMWYOI-VNHYZAJKSA-N 2 2 262.397 2.686 10 0 CFAELP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000358400155 394107005 /nfs/dbraw/zinc/10/70/05/394107005.db2.gz LHOCOGUASMWYOI-VNHYZAJKSA-N 2 2 262.397 2.686 10 0 CFAELP CCCC[C@H](COC)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000134125979 394189664 /nfs/dbraw/zinc/18/96/64/394189664.db2.gz VOMBAEBIIUCPMX-RRFJBIMHSA-N 2 2 256.434 2.510 10 0 CFAELP CCCC[C@H](COC)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000134125979 394189667 /nfs/dbraw/zinc/18/96/67/394189667.db2.gz VOMBAEBIIUCPMX-RRFJBIMHSA-N 2 2 256.434 2.510 10 0 CFAELP Cc1cc[nH+]cc1N1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000083449893 135022525 /nfs/dbraw/zinc/02/25/25/135022525.db2.gz SYJVFKXSYULRBE-HUUCEWRRSA-N 2 2 261.413 2.849 10 0 CFAELP Fc1cc(F)cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000185223329 543046981 /nfs/dbraw/zinc/04/69/81/543046981.db2.gz LDOOTSZQZFETEY-OAHLLOKOSA-N 2 2 277.318 2.826 10 0 CFAELP Fc1cc(F)cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000185223329 543046983 /nfs/dbraw/zinc/04/69/83/543046983.db2.gz LDOOTSZQZFETEY-OAHLLOKOSA-N 2 2 277.318 2.826 10 0 CFAELP CC1(C)CC([NH2+][C@H]2CCC[N@H+](CCO)C2)CC(C)(C)C1 ZINC000384389161 543101551 /nfs/dbraw/zinc/10/15/51/543101551.db2.gz ABRWSUKBTPPPDF-AWEZNQCLSA-N 2 2 282.472 2.638 10 0 CFAELP CC1(C)CC([NH2+][C@H]2CCC[N@@H+](CCO)C2)CC(C)(C)C1 ZINC000384389161 543101554 /nfs/dbraw/zinc/10/15/54/543101554.db2.gz ABRWSUKBTPPPDF-AWEZNQCLSA-N 2 2 282.472 2.638 10 0 CFAELP CC1(C)CC([NH2+][C@@H]2CCC[N@H+](CCO)C2)CC(C)(C)C1 ZINC000384389163 543101605 /nfs/dbraw/zinc/10/16/05/543101605.db2.gz ABRWSUKBTPPPDF-CQSZACIVSA-N 2 2 282.472 2.638 10 0 CFAELP CC1(C)CC([NH2+][C@@H]2CCC[N@@H+](CCO)C2)CC(C)(C)C1 ZINC000384389163 543101608 /nfs/dbraw/zinc/10/16/08/543101608.db2.gz ABRWSUKBTPPPDF-CQSZACIVSA-N 2 2 282.472 2.638 10 0 CFAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C1(C)C ZINC000085385036 286288517 /nfs/dbraw/zinc/28/85/17/286288517.db2.gz GJIMSPHVTJURRU-RRFJBIMHSA-N 2 2 270.461 2.756 10 0 CFAELP [NH3+]C[C@H](c1cccs1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000020225352 171087368 /nfs/dbraw/zinc/08/73/68/171087368.db2.gz ITQRRJWQLLUFIZ-OAHLLOKOSA-N 3 2 293.480 2.556 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[NH+]2CCCCCCC2)cc1 ZINC000020265260 171122321 /nfs/dbraw/zinc/12/23/21/171122321.db2.gz QLYHOTVOTWDCFT-MRXNPFEDSA-N 2 2 262.397 2.961 10 0 CFAELP C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2cnn(-c3ccccc3)c2)C1 ZINC000022172606 171368605 /nfs/dbraw/zinc/36/86/05/171368605.db2.gz QFCDNSSRLWHCCZ-YOEHRIQHSA-N 2 2 284.407 2.604 10 0 CFAELP C[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2cnn(-c3ccccc3)c2)C1 ZINC000022172606 171368606 /nfs/dbraw/zinc/36/86/06/171368606.db2.gz QFCDNSSRLWHCCZ-YOEHRIQHSA-N 2 2 284.407 2.604 10 0 CFAELP CCC(CC)[C@H](C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000022174935 171369824 /nfs/dbraw/zinc/36/98/24/171369824.db2.gz QPHLIXMRVKAPQO-ZDUSSCGKSA-N 2 2 252.427 2.870 10 0 CFAELP CCC(CC)[C@H](C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000022174935 171369826 /nfs/dbraw/zinc/36/98/26/171369826.db2.gz QPHLIXMRVKAPQO-ZDUSSCGKSA-N 2 2 252.427 2.870 10 0 CFAELP COc1ccc([C@H](C[NH3+])[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000022210137 171372808 /nfs/dbraw/zinc/37/28/08/171372808.db2.gz VSTIECHUWGIMER-IOASZLSFSA-N 2 2 262.397 2.673 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1F ZINC000035503796 172237922 /nfs/dbraw/zinc/23/79/22/172237922.db2.gz JHVNLKAFRKYILV-LLVKDONJSA-N 2 2 253.708 2.705 10 0 CFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(F)cc(F)c1 ZINC000035570260 172266059 /nfs/dbraw/zinc/26/60/59/172266059.db2.gz ISKHCRYLSNBJFA-GFCCVEGCSA-N 2 2 251.280 2.581 10 0 CFAELP C[N@@H+](Cc1cccs1)C[C@H]([NH3+])Cc1ccccc1 ZINC000035717797 172372053 /nfs/dbraw/zinc/37/20/53/172372053.db2.gz SZUPNIPHGKTGMZ-CQSZACIVSA-N 2 2 260.406 2.750 10 0 CFAELP C[N@H+](Cc1cccs1)C[C@H]([NH3+])Cc1ccccc1 ZINC000035717797 172372054 /nfs/dbraw/zinc/37/20/54/172372054.db2.gz SZUPNIPHGKTGMZ-CQSZACIVSA-N 2 2 260.406 2.750 10 0 CFAELP CC[C@H](C)C[N@H+](C)[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000037172629 173006899 /nfs/dbraw/zinc/00/68/99/173006899.db2.gz BHPCKOHRMOMFPE-WFASDCNBSA-N 2 2 250.386 2.673 10 0 CFAELP CC[C@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000037172629 173006901 /nfs/dbraw/zinc/00/69/01/173006901.db2.gz BHPCKOHRMOMFPE-WFASDCNBSA-N 2 2 250.386 2.673 10 0 CFAELP CC[C@H](C)C[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000037172645 173007040 /nfs/dbraw/zinc/00/70/40/173007040.db2.gz YNHDJZFDHNHDEI-WFASDCNBSA-N 2 2 250.386 2.673 10 0 CFAELP CC[C@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000037172645 173007042 /nfs/dbraw/zinc/00/70/42/173007042.db2.gz YNHDJZFDHNHDEI-WFASDCNBSA-N 2 2 250.386 2.673 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@@H](CC[NH3+])C(F)(F)F ZINC000037178905 173012310 /nfs/dbraw/zinc/01/23/10/173012310.db2.gz FAGUOPIVVDXOOS-NSHDSACASA-N 2 2 257.259 2.797 10 0 CFAELP CC[C@@H](C)C[C@](CC)(C[NH3+])[NH+]1CCC(OC)CC1 ZINC000037265979 173075166 /nfs/dbraw/zinc/07/51/66/173075166.db2.gz ATRHKKMGTVLQJL-UKRRQHHQSA-N 2 2 256.434 2.641 10 0 CFAELP Cc1ncsc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037318660 173119105 /nfs/dbraw/zinc/11/91/05/173119105.db2.gz JISSFRUEFNTSGT-LLVKDONJSA-N 2 2 265.426 2.729 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655708564 414381146 /nfs/dbraw/zinc/38/11/46/414381146.db2.gz KQPKOJRAFUQSEP-MELADBBJSA-N 2 2 258.475 2.836 10 0 CFAELP CCOc1cccc([C@@H](C[NH3+])[NH+]2CCC(C)CC2)c1 ZINC000038970636 174160620 /nfs/dbraw/zinc/16/06/20/174160620.db2.gz PZTLLTSJEABJAB-MRXNPFEDSA-N 2 2 262.397 2.817 10 0 CFAELP COc1cccc([C@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)c1OC ZINC000039789165 174173514 /nfs/dbraw/zinc/17/35/14/174173514.db2.gz ZDMMEHDVAMAFJK-GUTXKFCHSA-N 2 2 292.423 2.967 10 0 CFAELP COc1cccc([C@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)c1OC ZINC000039789165 174173516 /nfs/dbraw/zinc/17/35/16/174173516.db2.gz ZDMMEHDVAMAFJK-GUTXKFCHSA-N 2 2 292.423 2.967 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCO3)C1 ZINC000040502921 174299043 /nfs/dbraw/zinc/29/90/43/174299043.db2.gz CGLWICQLISOLGD-BBRMVZONSA-N 2 2 274.408 2.756 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCO3)C1 ZINC000040502921 174299045 /nfs/dbraw/zinc/29/90/45/174299045.db2.gz CGLWICQLISOLGD-BBRMVZONSA-N 2 2 274.408 2.756 10 0 CFAELP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2nc3ccccc3n2C)C1 ZINC000040592149 174347561 /nfs/dbraw/zinc/34/75/61/174347561.db2.gz LVLOJLIFQNJAAF-UONOGXRCSA-N 2 2 286.423 2.566 10 0 CFAELP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3n2C)C1 ZINC000040592149 174347562 /nfs/dbraw/zinc/34/75/62/174347562.db2.gz LVLOJLIFQNJAAF-UONOGXRCSA-N 2 2 286.423 2.566 10 0 CFAELP C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1c(F)cccc1F ZINC000040638682 174362787 /nfs/dbraw/zinc/36/27/87/174362787.db2.gz YBUFKTLQKJLZPY-SNVBAGLBSA-N 2 2 265.307 2.592 10 0 CFAELP CC[C@@H]([NH2+]CCc1[nH+]ccn1C)c1ccc(F)cc1 ZINC000040638737 174362886 /nfs/dbraw/zinc/36/28/86/174362886.db2.gz BFMXWCSEMHURQI-CQSZACIVSA-N 2 2 261.344 2.843 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+]Cc1cccc(Br)c1 ZINC000040638516 174362927 /nfs/dbraw/zinc/36/29/27/174362927.db2.gz IDCSFKANTGADBI-UHFFFAOYSA-N 2 2 294.196 2.515 10 0 CFAELP COc1ccc(C2CC([NH2+]CCc3[nH+]ccn3C)C2)cc1 ZINC000040639082 174363181 /nfs/dbraw/zinc/36/31/81/174363181.db2.gz YRNSGLNGRFYZCI-UHFFFAOYSA-N 2 2 285.391 2.507 10 0 CFAELP CC[N@H+]([C@@H](C[NH3+])c1cccc(OC(C)C)c1)C1CC1 ZINC000040640989 174364613 /nfs/dbraw/zinc/36/46/13/174364613.db2.gz GQZJNKXEEORJEP-INIZCTEOSA-N 2 2 262.397 2.958 10 0 CFAELP CC[N@@H+]([C@@H](C[NH3+])c1cccc(OC(C)C)c1)C1CC1 ZINC000040640989 174364615 /nfs/dbraw/zinc/36/46/15/174364615.db2.gz GQZJNKXEEORJEP-INIZCTEOSA-N 2 2 262.397 2.958 10 0 CFAELP CC(C)CC[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671156 174369035 /nfs/dbraw/zinc/36/90/35/174369035.db2.gz GYPCJNQADNHEFK-KRWDZBQOSA-N 2 2 260.425 2.939 10 0 CFAELP CC(C)CC[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671156 174369036 /nfs/dbraw/zinc/36/90/36/174369036.db2.gz GYPCJNQADNHEFK-KRWDZBQOSA-N 2 2 260.425 2.939 10 0 CFAELP CCc1nc(C[N@@H+](CC)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000040748347 174393338 /nfs/dbraw/zinc/39/33/38/174393338.db2.gz LWKFUAMJSBPLBJ-ONXXMXGDSA-N 2 2 279.453 2.810 10 0 CFAELP CCc1nc(C[N@H+](CC)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000040748347 174393340 /nfs/dbraw/zinc/39/33/40/174393340.db2.gz LWKFUAMJSBPLBJ-ONXXMXGDSA-N 2 2 279.453 2.810 10 0 CFAELP C[C@H](c1nc2ccccc2n1C)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749339 174394047 /nfs/dbraw/zinc/39/40/47/174394047.db2.gz LTWHOGSFXNHTCO-RLAWYHOSSA-N 2 2 284.407 2.588 10 0 CFAELP C[C@H](c1nc2ccccc2n1C)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749339 174394049 /nfs/dbraw/zinc/39/40/49/174394049.db2.gz LTWHOGSFXNHTCO-RLAWYHOSSA-N 2 2 284.407 2.588 10 0 CFAELP [NH3+]C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000042899257 174904879 /nfs/dbraw/zinc/90/48/79/174904879.db2.gz QVKKZFZWZVAEPM-IAGOWNOFSA-N 2 2 267.376 2.919 10 0 CFAELP [NH3+]C[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000042899257 174904881 /nfs/dbraw/zinc/90/48/81/174904881.db2.gz QVKKZFZWZVAEPM-IAGOWNOFSA-N 2 2 267.376 2.919 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](CC)C1 ZINC000043339411 175013999 /nfs/dbraw/zinc/01/39/99/175013999.db2.gz ZJVKXBNHECOZRA-IIAWOOMASA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+]1CCC[C@@H](CC)C1 ZINC000043339411 175014001 /nfs/dbraw/zinc/01/40/01/175014001.db2.gz ZJVKXBNHECOZRA-IIAWOOMASA-N 2 2 261.413 2.982 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccccn1)n1cc[nH+]c1-c1ccccc1 ZINC000043341495 175015384 /nfs/dbraw/zinc/01/53/84/175015384.db2.gz AUHIORLTJNFXTE-CZUORRHYSA-N 2 2 278.359 2.882 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043354736 175022143 /nfs/dbraw/zinc/02/21/43/175022143.db2.gz MGMAGPSDFCVZCK-IAOVAPTHSA-N 2 2 291.439 2.607 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043354736 175022145 /nfs/dbraw/zinc/02/21/45/175022145.db2.gz MGMAGPSDFCVZCK-IAOVAPTHSA-N 2 2 291.439 2.607 10 0 CFAELP Cc1cc2[nH+]cn([C@@H](c3ccncc3)[C@H](C)[NH3+])c2cc1C ZINC000043354931 175022994 /nfs/dbraw/zinc/02/29/94/175022994.db2.gz WPDRSDHGEHQCHB-SUMWQHHRSA-N 2 2 280.375 2.985 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](C)CCc1ccccn1 ZINC000043363925 175024794 /nfs/dbraw/zinc/02/47/94/175024794.db2.gz RFRYZQXQUNXXLO-WBVHZDCISA-N 2 2 287.407 2.936 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](C)CCc1ccccn1 ZINC000043363925 175024796 /nfs/dbraw/zinc/02/47/96/175024796.db2.gz RFRYZQXQUNXXLO-WBVHZDCISA-N 2 2 287.407 2.936 10 0 CFAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@H+](C)CCc2ccccn2)o1 ZINC000043363921 175024804 /nfs/dbraw/zinc/02/48/04/175024804.db2.gz CKMQNIYAOGBHON-CJNGLKHVSA-N 2 2 273.380 2.546 10 0 CFAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)CCc2ccccn2)o1 ZINC000043363921 175024805 /nfs/dbraw/zinc/02/48/05/175024805.db2.gz CKMQNIYAOGBHON-CJNGLKHVSA-N 2 2 273.380 2.546 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043363841 175025115 /nfs/dbraw/zinc/02/51/15/175025115.db2.gz PJQYBULPDAETHE-IIAWOOMASA-N 2 2 280.412 2.603 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+]1CCCC[C@@H]1CCO ZINC000043363841 175025116 /nfs/dbraw/zinc/02/51/16/175025116.db2.gz PJQYBULPDAETHE-IIAWOOMASA-N 2 2 280.412 2.603 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043364789 175025516 /nfs/dbraw/zinc/02/55/16/175025516.db2.gz IYLKJNYANHJCJA-SQWLQELKSA-N 2 2 280.412 2.867 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043364789 175025517 /nfs/dbraw/zinc/02/55/17/175025517.db2.gz IYLKJNYANHJCJA-SQWLQELKSA-N 2 2 280.412 2.867 10 0 CFAELP CC(C)CCc1noc([C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)n1 ZINC000043373854 175029567 /nfs/dbraw/zinc/02/95/67/175029567.db2.gz ULOZFYQFQLADQR-CQSZACIVSA-N 2 2 292.427 2.547 10 0 CFAELP CC(C)CCc1noc([C@H]2CCC[N@H+]2C2CC[NH2+]CC2)n1 ZINC000043373854 175029568 /nfs/dbraw/zinc/02/95/68/175029568.db2.gz ULOZFYQFQLADQR-CQSZACIVSA-N 2 2 292.427 2.547 10 0 CFAELP Cc1cc(C)cc([C@@H](C[NH3+])[N@H+](C)CCc2ccccn2)c1 ZINC000043393937 175035128 /nfs/dbraw/zinc/03/51/28/175035128.db2.gz FCVVBNNUYDXKFH-GOSISDBHSA-N 2 2 283.419 2.873 10 0 CFAELP Cc1cc(C)cc([C@@H](C[NH3+])[N@@H+](C)CCc2ccccn2)c1 ZINC000043393937 175035129 /nfs/dbraw/zinc/03/51/29/175035129.db2.gz FCVVBNNUYDXKFH-GOSISDBHSA-N 2 2 283.419 2.873 10 0 CFAELP CCCC1CCC(C[NH3+])([N@@H+]2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000043424449 175039941 /nfs/dbraw/zinc/03/99/41/175039941.db2.gz YPTOWTDGCODGRK-YZUHTNEWSA-N 2 2 280.456 2.928 10 0 CFAELP CCCC1CCC(C[NH3+])([N@H+]2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000043424449 175039942 /nfs/dbraw/zinc/03/99/42/175039942.db2.gz YPTOWTDGCODGRK-YZUHTNEWSA-N 2 2 280.456 2.928 10 0 CFAELP C[N@H+](Cc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000043501432 175058474 /nfs/dbraw/zinc/05/84/74/175058474.db2.gz XQXNZGCUWYTWRF-ZDUSSCGKSA-N 2 2 283.213 2.633 10 0 CFAELP C[N@@H+](Cc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000043501432 175058476 /nfs/dbraw/zinc/05/84/76/175058476.db2.gz XQXNZGCUWYTWRF-ZDUSSCGKSA-N 2 2 283.213 2.633 10 0 CFAELP C[C@@H](Cc1ccco1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000043596234 175076542 /nfs/dbraw/zinc/07/65/42/175076542.db2.gz OHEJQIADMYLECS-GUYCJALGSA-N 2 2 270.376 2.687 10 0 CFAELP CCC[NH2+][C@H](C[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000043807671 175109069 /nfs/dbraw/zinc/10/90/69/175109069.db2.gz QOJJPCKYVMKJBC-CQSZACIVSA-N 2 2 276.380 2.552 10 0 CFAELP CCC[C@@H]([NH2+]C)[C@H](CC)[N@H+](C)CCc1ccccn1 ZINC000043818757 175114013 /nfs/dbraw/zinc/11/40/13/175114013.db2.gz VNQDGIJDYAVZOH-CVEARBPZSA-N 2 2 263.429 2.723 10 0 CFAELP CCC[C@@H]([NH2+]C)[C@H](CC)[N@@H+](C)CCc1ccccn1 ZINC000043818757 175114014 /nfs/dbraw/zinc/11/40/14/175114014.db2.gz VNQDGIJDYAVZOH-CVEARBPZSA-N 2 2 263.429 2.723 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@@H+]1CCOC(C)(C)C1 ZINC000043897910 175120290 /nfs/dbraw/zinc/12/02/90/175120290.db2.gz QIYKWDLHBMWOKP-KGLIPLIRSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@H+]1CCOC(C)(C)C1 ZINC000043897910 175120291 /nfs/dbraw/zinc/12/02/91/175120291.db2.gz QIYKWDLHBMWOKP-KGLIPLIRSA-N 2 2 256.434 2.654 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897835 175120644 /nfs/dbraw/zinc/12/06/44/175120644.db2.gz OBKWFDUXBBWYQR-GJZGRUSLSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897835 175120645 /nfs/dbraw/zinc/12/06/45/175120645.db2.gz OBKWFDUXBBWYQR-GJZGRUSLSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@H+](C)C1CCOCC1 ZINC000043898457 175120964 /nfs/dbraw/zinc/12/09/64/175120964.db2.gz PRYLDNRIBPVWEE-CABCVRRESA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@@H+](C)C1CCOCC1 ZINC000043898457 175120965 /nfs/dbraw/zinc/12/09/65/175120965.db2.gz PRYLDNRIBPVWEE-CABCVRRESA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@H]1[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900107 175122034 /nfs/dbraw/zinc/12/20/34/175122034.db2.gz BNVMOIUSFHANKI-YLFCFFPRSA-N 2 2 280.456 2.656 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@H]1[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900107 175122036 /nfs/dbraw/zinc/12/20/36/175122036.db2.gz BNVMOIUSFHANKI-YLFCFFPRSA-N 2 2 280.456 2.656 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+]1CCOC[C@@H]1CC ZINC000043899352 175122163 /nfs/dbraw/zinc/12/21/63/175122163.db2.gz OMCFSSPSVURWED-ARFHVFGLSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@H]1[N@H+]1CCOC[C@@H]1CC ZINC000043899352 175122164 /nfs/dbraw/zinc/12/21/64/175122164.db2.gz OMCFSSPSVURWED-ARFHVFGLSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H](C[N@@H+]1CCC[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000043903713 175122573 /nfs/dbraw/zinc/12/25/73/175122573.db2.gz SQFUCRMAYKGMIB-DZGCQCFKSA-N 2 2 290.407 2.940 10 0 CFAELP CCC[NH2+][C@H](C[N@H+]1CCC[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000043903713 175122574 /nfs/dbraw/zinc/12/25/74/175122574.db2.gz SQFUCRMAYKGMIB-DZGCQCFKSA-N 2 2 290.407 2.940 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@@H]1[N@H+](C)CCc1ccncc1 ZINC000043902302 175122748 /nfs/dbraw/zinc/12/27/48/175122748.db2.gz HUSHNGCXBHVRFC-IRXDYDNUSA-N 2 2 275.440 2.867 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902302 175122750 /nfs/dbraw/zinc/12/27/50/175122750.db2.gz HUSHNGCXBHVRFC-IRXDYDNUSA-N 2 2 275.440 2.867 10 0 CFAELP CC[NH2+][C@@H]1CCC[C@H]1[N@H+](C)Cc1cccc(OC)c1 ZINC000043911911 175123833 /nfs/dbraw/zinc/12/38/33/175123833.db2.gz WNRHIIAVUNNHER-HZPDHXFCSA-N 2 2 262.397 2.658 10 0 CFAELP CC[NH2+][C@@H]1CCC[C@H]1[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911911 175123834 /nfs/dbraw/zinc/12/38/34/175123834.db2.gz WNRHIIAVUNNHER-HZPDHXFCSA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cccc(OC)c1 ZINC000043911836 175123947 /nfs/dbraw/zinc/12/39/47/175123947.db2.gz BPAWOPCVZBBLNP-CVEARBPZSA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911836 175123948 /nfs/dbraw/zinc/12/39/48/175123948.db2.gz BPAWOPCVZBBLNP-CVEARBPZSA-N 2 2 262.397 2.658 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@@H](CC)[N@H+](C)CCOC ZINC000043916089 175125017 /nfs/dbraw/zinc/12/50/17/175125017.db2.gz HKMKFNKGQBPLTR-CVEARBPZSA-N 2 2 264.413 2.694 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@@H](CC)[N@@H+](C)CCOC ZINC000043916089 175125018 /nfs/dbraw/zinc/12/50/18/175125018.db2.gz HKMKFNKGQBPLTR-CVEARBPZSA-N 2 2 264.413 2.694 10 0 CFAELP CC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1[N@H+](C)CCOC ZINC000043915836 175125050 /nfs/dbraw/zinc/12/50/50/175125050.db2.gz CFRHDCSZNLYCMX-ILXRZTDVSA-N 2 2 270.461 2.758 10 0 CFAELP CC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1[N@@H+](C)CCOC ZINC000043915836 175125051 /nfs/dbraw/zinc/12/50/51/175125051.db2.gz CFRHDCSZNLYCMX-ILXRZTDVSA-N 2 2 270.461 2.758 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966567 175127674 /nfs/dbraw/zinc/12/76/74/175127674.db2.gz LXMJXGJWXILGJN-HRCADAONSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966567 175127677 /nfs/dbraw/zinc/12/76/77/175127677.db2.gz LXMJXGJWXILGJN-HRCADAONSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966231 175127934 /nfs/dbraw/zinc/12/79/34/175127934.db2.gz CJTZNAPLHVROON-VGWMRTNUSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966231 175127936 /nfs/dbraw/zinc/12/79/36/175127936.db2.gz CJTZNAPLHVROON-VGWMRTNUSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@H](CC)[C@@H](C)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966922 175128040 /nfs/dbraw/zinc/12/80/40/175128040.db2.gz KEGBTOSEOQLIAU-QLFBSQMISA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H](CC)[C@@H](C)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966922 175128042 /nfs/dbraw/zinc/12/80/42/175128042.db2.gz KEGBTOSEOQLIAU-QLFBSQMISA-N 2 2 256.434 2.654 10 0 CFAELP CC[N@H+](CCOC)C[C@@H]([NH2+]C)c1ccc(C)cc1C ZINC000043968530 175129656 /nfs/dbraw/zinc/12/96/56/175129656.db2.gz PBONVLWLUOAOHT-MRXNPFEDSA-N 2 2 264.413 2.532 10 0 CFAELP CC[N@@H+](CCOC)C[C@@H]([NH2+]C)c1ccc(C)cc1C ZINC000043968530 175129657 /nfs/dbraw/zinc/12/96/57/175129657.db2.gz PBONVLWLUOAOHT-MRXNPFEDSA-N 2 2 264.413 2.532 10 0 CFAELP C[NH2+][C@H](C[N@H+](C)[C@@H](C)COC)c1cc(C)ccc1C ZINC000043969093 175130266 /nfs/dbraw/zinc/13/02/66/175130266.db2.gz IWLHYHFWXXMDDZ-GOEBONIOSA-N 2 2 264.413 2.531 10 0 CFAELP C[NH2+][C@H](C[N@@H+](C)[C@@H](C)COC)c1cc(C)ccc1C ZINC000043969093 175130268 /nfs/dbraw/zinc/13/02/68/175130268.db2.gz IWLHYHFWXXMDDZ-GOEBONIOSA-N 2 2 264.413 2.531 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@@H](C)[N@H+](C)[C@@H](C)COC ZINC000043969171 175130271 /nfs/dbraw/zinc/13/02/71/175130271.db2.gz TXJCYUIMHIJATK-SQWLQELKSA-N 2 2 264.413 2.692 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@@H](C)[N@@H+](C)[C@@H](C)COC ZINC000043969171 175130272 /nfs/dbraw/zinc/13/02/72/175130272.db2.gz TXJCYUIMHIJATK-SQWLQELKSA-N 2 2 264.413 2.692 10 0 CFAELP C[NH2+][C@H]1c2ccccc2CCC[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043969591 175130311 /nfs/dbraw/zinc/13/03/11/175130311.db2.gz RQGPFJYZFMNJCW-ROUUACIJSA-N 2 2 288.435 2.763 10 0 CFAELP C[NH2+][C@H]1c2ccccc2CCC[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043969591 175130312 /nfs/dbraw/zinc/13/03/12/175130312.db2.gz RQGPFJYZFMNJCW-ROUUACIJSA-N 2 2 288.435 2.763 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@H](C)[N@H+](C)[C@@H](C)COC ZINC000043969174 175130474 /nfs/dbraw/zinc/13/04/74/175130474.db2.gz TXJCYUIMHIJATK-DZKIICNBSA-N 2 2 264.413 2.692 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@H](C)[N@@H+](C)[C@@H](C)COC ZINC000043969174 175130476 /nfs/dbraw/zinc/13/04/76/175130476.db2.gz TXJCYUIMHIJATK-DZKIICNBSA-N 2 2 264.413 2.692 10 0 CFAELP CCC[NH2+][C@H](C[NH+]1CCC(C[NH+](C)C)CC1)C(C)(C)C ZINC000043970769 175132143 /nfs/dbraw/zinc/13/21/43/175132143.db2.gz PTQRGVJYPAFPEI-MRXNPFEDSA-N 3 2 283.504 2.674 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@H](CC)[N@H+](CCOC)[C@@H](C)COC ZINC000043975891 175132546 /nfs/dbraw/zinc/13/25/46/175132546.db2.gz WBJVJJJOQSROIT-JYJNAYRXSA-N 2 2 288.476 2.527 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@H](CC)[N@@H+](CCOC)[C@@H](C)COC ZINC000043975891 175132547 /nfs/dbraw/zinc/13/25/47/175132547.db2.gz WBJVJJJOQSROIT-JYJNAYRXSA-N 2 2 288.476 2.527 10 0 CFAELP CC[N@H+](C[C@@H]([NH2+]C)c1cc(C)ccc1C)[C@@H](C)COC ZINC000043981057 175133937 /nfs/dbraw/zinc/13/39/37/175133937.db2.gz ZIRRCIJFXBEXST-DOTOQJQBSA-N 2 2 278.440 2.921 10 0 CFAELP CC[N@@H+](C[C@@H]([NH2+]C)c1cc(C)ccc1C)[C@@H](C)COC ZINC000043981057 175133938 /nfs/dbraw/zinc/13/39/38/175133938.db2.gz ZIRRCIJFXBEXST-DOTOQJQBSA-N 2 2 278.440 2.921 10 0 CFAELP CCc1ccc([C@H](C[N@@H+](CC)[C@@H](C)COC)[NH2+]C)cc1 ZINC000043981142 175134260 /nfs/dbraw/zinc/13/42/60/175134260.db2.gz QHZYCUYFPUBLSI-YOEHRIQHSA-N 2 2 278.440 2.866 10 0 CFAELP CCc1ccc([C@H](C[N@H+](CC)[C@@H](C)COC)[NH2+]C)cc1 ZINC000043981142 175134262 /nfs/dbraw/zinc/13/42/62/175134262.db2.gz QHZYCUYFPUBLSI-YOEHRIQHSA-N 2 2 278.440 2.866 10 0 CFAELP C[NH2+][C@@H](Cn1cc[nH+]c1C(C)C)c1ccc(OC)cc1 ZINC000043997946 175137165 /nfs/dbraw/zinc/13/71/65/175137165.db2.gz IZCZTJGGBTVCIS-HNNXBMFYSA-N 2 2 273.380 2.976 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@@H+]1CCCOc1ccc(Cl)cc1 ZINC000044557985 175203278 /nfs/dbraw/zinc/20/32/78/175203278.db2.gz KTVFHVSVKDNRCZ-AWEZNQCLSA-N 2 2 282.815 2.922 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@H+]1CCCOc1ccc(Cl)cc1 ZINC000044557985 175203279 /nfs/dbraw/zinc/20/32/79/175203279.db2.gz KTVFHVSVKDNRCZ-AWEZNQCLSA-N 2 2 282.815 2.922 10 0 CFAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C)c1ccc2c(c1)CCO2 ZINC000044560941 175205023 /nfs/dbraw/zinc/20/50/23/175205023.db2.gz FTCZZRQXQMYIHH-XJKSGUPXSA-N 2 2 274.408 2.756 10 0 CFAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C)c1ccc2c(c1)CCO2 ZINC000044560941 175205024 /nfs/dbraw/zinc/20/50/24/175205024.db2.gz FTCZZRQXQMYIHH-XJKSGUPXSA-N 2 2 274.408 2.756 10 0 CFAELP Cc1nc(C[N@@H+](C)Cc2ccc(C[NH3+])cc2)cs1 ZINC000044608663 175215879 /nfs/dbraw/zinc/21/58/79/175215879.db2.gz XYGMPEQDZOWVFJ-UHFFFAOYSA-N 2 2 261.394 2.542 10 0 CFAELP Cc1nc(C[N@H+](C)Cc2ccc(C[NH3+])cc2)cs1 ZINC000044608663 175215880 /nfs/dbraw/zinc/21/58/80/175215880.db2.gz XYGMPEQDZOWVFJ-UHFFFAOYSA-N 2 2 261.394 2.542 10 0 CFAELP c1ccc(N2CCCC2)c(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044686355 175231911 /nfs/dbraw/zinc/23/19/11/175231911.db2.gz YUJADLSSCOQISW-INIZCTEOSA-N 2 2 285.435 2.613 10 0 CFAELP c1ccc(N2CCCC2)c(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044686355 175231913 /nfs/dbraw/zinc/23/19/13/175231913.db2.gz YUJADLSSCOQISW-INIZCTEOSA-N 2 2 285.435 2.613 10 0 CFAELP [NH3+]C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067076 175300168 /nfs/dbraw/zinc/30/01/68/175300168.db2.gz HTOSNSQPOFHYAV-CVEARBPZSA-N 2 2 259.397 2.736 10 0 CFAELP [NH3+]C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067076 175300169 /nfs/dbraw/zinc/30/01/69/175300169.db2.gz HTOSNSQPOFHYAV-CVEARBPZSA-N 2 2 259.397 2.736 10 0 CFAELP C[N@H+](CC(C)(C)C)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000045069996 175300784 /nfs/dbraw/zinc/30/07/84/175300784.db2.gz CAOGXZPXEAEZQA-CQSZACIVSA-N 2 2 262.397 2.599 10 0 CFAELP C[N@@H+](CC(C)(C)C)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000045069996 175300786 /nfs/dbraw/zinc/30/07/86/175300786.db2.gz CAOGXZPXEAEZQA-CQSZACIVSA-N 2 2 262.397 2.599 10 0 CFAELP c1cn(CCCC[NH2+][C@H]2CCOc3ccccc32)c[nH+]1 ZINC000045105576 175307305 /nfs/dbraw/zinc/30/73/05/175307305.db2.gz SIDZIASXKCFZGO-HNNXBMFYSA-N 2 2 271.364 2.777 10 0 CFAELP CCCC[N@H+](CC)CCC[C@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045370783 175364016 /nfs/dbraw/zinc/36/40/16/175364016.db2.gz LSQCPFCSEUCTMJ-KRWDZBQOSA-N 2 2 298.471 2.962 10 0 CFAELP CCCC[N@@H+](CC)CCC[C@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045370783 175364017 /nfs/dbraw/zinc/36/40/17/175364017.db2.gz LSQCPFCSEUCTMJ-KRWDZBQOSA-N 2 2 298.471 2.962 10 0 CFAELP CC[NH2+][C@](C)(CCC[NH+]1CCCCCCC1)C(=O)OC ZINC000045371594 175364410 /nfs/dbraw/zinc/36/44/10/175364410.db2.gz VFOXNAHTUZEBQT-MRXNPFEDSA-N 2 2 284.444 2.574 10 0 CFAELP CCC[NH2+][C@@](C)(CCCC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045374826 175365304 /nfs/dbraw/zinc/36/53/04/175365304.db2.gz ZEVHBLXYOCFGTH-KRWDZBQOSA-N 2 2 298.471 2.820 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[NH+]1CCC(C)CC1)[NH2+]C1CC1 ZINC000045375036 175365703 /nfs/dbraw/zinc/36/57/03/175365703.db2.gz RNNXAWINWFWBEE-QGZVFWFLSA-N 2 2 296.455 2.572 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376077 175366508 /nfs/dbraw/zinc/36/65/08/175366508.db2.gz DUACBFKLRWOEHS-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376077 175366509 /nfs/dbraw/zinc/36/65/09/175366509.db2.gz DUACBFKLRWOEHS-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP COC(=O)[C@](C)(CCC[NH+]1CCCCCC1)[NH2+]C(C)C ZINC000045377550 175366935 /nfs/dbraw/zinc/36/69/35/175366935.db2.gz SWQGRXPIFHILFC-INIZCTEOSA-N 2 2 284.444 2.572 10 0 CFAELP CC[NH2+][C@@](C)(CCC[NH+]1CCCCCC1)C(=O)OCC ZINC000045377533 175367067 /nfs/dbraw/zinc/36/70/67/175367067.db2.gz BCUXYGRRAHAWAG-INIZCTEOSA-N 2 2 284.444 2.574 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[NH+]1CCCCC1)[NH2+]C1CC1 ZINC000045378290 175367613 /nfs/dbraw/zinc/36/76/13/175367613.db2.gz HFMATRNJEQYZRI-KRWDZBQOSA-N 2 2 296.455 2.716 10 0 CFAELP COC(=O)[C@](C)(CCCC[NH+]1CCCCC1)[NH2+]C(C)C ZINC000045378272 175367668 /nfs/dbraw/zinc/36/76/68/175367668.db2.gz XGHZLIMJZYRMDA-INIZCTEOSA-N 2 2 284.444 2.572 10 0 CFAELP COC(=O)[C@](C)(CCC[N@H+](C)C1CCCCC1)[NH2+]C1CC1 ZINC000045379173 175368180 /nfs/dbraw/zinc/36/81/80/175368180.db2.gz MTDGXHPVASJSKJ-KRWDZBQOSA-N 2 2 296.455 2.715 10 0 CFAELP COC(=O)[C@](C)(CCC[N@@H+](C)C1CCCCC1)[NH2+]C1CC1 ZINC000045379173 175368182 /nfs/dbraw/zinc/36/81/82/175368182.db2.gz MTDGXHPVASJSKJ-KRWDZBQOSA-N 2 2 296.455 2.715 10 0 CFAELP C[NH2+][C@@](C)(CCCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379586 175368394 /nfs/dbraw/zinc/36/83/94/175368394.db2.gz IDKBPKKWHOGVTI-LZWOXQAQSA-N 2 2 284.444 2.571 10 0 CFAELP C[NH2+][C@@](C)(CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379586 175368395 /nfs/dbraw/zinc/36/83/95/175368395.db2.gz IDKBPKKWHOGVTI-LZWOXQAQSA-N 2 2 284.444 2.571 10 0 CFAELP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+](CC)c1ccccc1 ZINC000045379878 175368840 /nfs/dbraw/zinc/36/88/40/175368840.db2.gz LNYCKPTWHGMSAE-QGZVFWFLSA-N 2 2 292.423 2.964 10 0 CFAELP CCOC(=O)[C@](C)([NH3+])CCCC[N@@H+](CC)c1ccccc1 ZINC000045379878 175368842 /nfs/dbraw/zinc/36/88/42/175368842.db2.gz LNYCKPTWHGMSAE-QGZVFWFLSA-N 2 2 292.423 2.964 10 0 CFAELP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](CC)c1ccccc1 ZINC000045379919 175369294 /nfs/dbraw/zinc/36/92/94/175369294.db2.gz ASVATECVWJELNY-INIZCTEOSA-N 2 2 278.396 2.574 10 0 CFAELP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+](CC)c1ccccc1 ZINC000045379919 175369295 /nfs/dbraw/zinc/36/92/95/175369295.db2.gz ASVATECVWJELNY-INIZCTEOSA-N 2 2 278.396 2.574 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)CC)[NH2+]C1CC1 ZINC000045381479 175369595 /nfs/dbraw/zinc/36/95/95/175369595.db2.gz YRPVYLZTRGYRSV-BBRMVZONSA-N 2 2 284.444 2.571 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)CC)[NH2+]C1CC1 ZINC000045381479 175369596 /nfs/dbraw/zinc/36/95/96/175369596.db2.gz YRPVYLZTRGYRSV-BBRMVZONSA-N 2 2 284.444 2.571 10 0 CFAELP CCC[N@H+](Cc1ccc(F)cc1C)[C@@H]1CC[NH2+]C1 ZINC000071314885 176121326 /nfs/dbraw/zinc/12/13/26/176121326.db2.gz ZPZVSAWJKKPXIV-OAHLLOKOSA-N 2 2 250.361 2.708 10 0 CFAELP CCC[N@@H+](Cc1ccc(F)cc1C)[C@@H]1CC[NH2+]C1 ZINC000071314885 176121327 /nfs/dbraw/zinc/12/13/27/176121327.db2.gz ZPZVSAWJKKPXIV-OAHLLOKOSA-N 2 2 250.361 2.708 10 0 CFAELP CC1(C)CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]21 ZINC000076697532 177061170 /nfs/dbraw/zinc/06/11/70/177061170.db2.gz QRRNYPWMVYJEKH-HOTGVXAUSA-N 2 2 258.409 2.897 10 0 CFAELP CC1(C)CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]21 ZINC000076697532 177061171 /nfs/dbraw/zinc/06/11/71/177061171.db2.gz QRRNYPWMVYJEKH-HOTGVXAUSA-N 2 2 258.409 2.897 10 0 CFAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)n1C ZINC000517589352 270407852 /nfs/dbraw/zinc/40/78/52/270407852.db2.gz ZCJRDPWIWWWQTF-NWDGAFQWSA-N 2 2 275.318 2.939 10 0 CFAELP C([NH2+][C@@H]1CCC[NH2+]CC1)C1([NH+]2CCCCC2)CCCCC1 ZINC000133561294 277721639 /nfs/dbraw/zinc/72/16/39/277721639.db2.gz QXMSILKXLXFUQH-QGZVFWFLSA-N 3 2 293.499 2.907 10 0 CFAELP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1c(F)cccc1F ZINC000400343848 278268278 /nfs/dbraw/zinc/26/82/78/278268278.db2.gz GMELFVMCTLVNRB-GARJFASQSA-N 2 2 254.324 2.613 10 0 CFAELP CCCC[C@@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000180573869 278721686 /nfs/dbraw/zinc/72/16/86/278721686.db2.gz HAODTHMEDNVNBP-KGLIPLIRSA-N 2 2 291.443 2.655 10 0 CFAELP CCn1nc(C)c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c1C ZINC000045172908 280423489 /nfs/dbraw/zinc/42/34/89/280423489.db2.gz DNRBZXGIGDFYBK-CYBMUJFWSA-N 2 2 289.427 2.847 10 0 CFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@@H]2C=CCCC2)C1 ZINC000248647180 281029867 /nfs/dbraw/zinc/02/98/67/281029867.db2.gz ICJZDSUFRIUSML-QZTJIDSGSA-N 2 2 285.435 2.944 10 0 CFAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@@H]2C=CCCC2)C1 ZINC000248647180 281029869 /nfs/dbraw/zinc/02/98/69/281029869.db2.gz ICJZDSUFRIUSML-QZTJIDSGSA-N 2 2 285.435 2.944 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000248647180 281029871 /nfs/dbraw/zinc/02/98/71/281029871.db2.gz ICJZDSUFRIUSML-QZTJIDSGSA-N 2 2 285.435 2.944 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000248647180 281029873 /nfs/dbraw/zinc/02/98/73/281029873.db2.gz ICJZDSUFRIUSML-QZTJIDSGSA-N 2 2 285.435 2.944 10 0 CFAELP COC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000187755342 324001571 /nfs/dbraw/zinc/00/15/71/324001571.db2.gz AZOJZVWDRVDICR-WMZOPIPTSA-N 2 2 290.451 2.913 10 0 CFAELP COC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000187755342 324001573 /nfs/dbraw/zinc/00/15/73/324001573.db2.gz AZOJZVWDRVDICR-WMZOPIPTSA-N 2 2 290.451 2.913 10 0 CFAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CC1(O)CCCCCC1 ZINC000049555623 519775648 /nfs/dbraw/zinc/77/56/48/519775648.db2.gz AJQOWFJHXNYOHL-HNNXBMFYSA-N 2 2 270.461 2.638 10 0 CFAELP CC[NH2+]C[C@@H](CC)[N@H+](C)Cc1cccc(OC)c1 ZINC000052372881 519944403 /nfs/dbraw/zinc/94/44/03/519944403.db2.gz DSCOZWRBHWPQAT-CQSZACIVSA-N 2 2 250.386 2.515 10 0 CFAELP CC[NH2+]C[C@@H](CC)[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372881 519944412 /nfs/dbraw/zinc/94/44/12/519944412.db2.gz DSCOZWRBHWPQAT-CQSZACIVSA-N 2 2 250.386 2.515 10 0 CFAELP CCO[C@H](C[NH3+])CC[N@H+](CC)c1ccc(C)cc1 ZINC000062741222 520515879 /nfs/dbraw/zinc/51/58/79/520515879.db2.gz WYAPFBHEDQYHKT-HNNXBMFYSA-N 2 2 250.386 2.575 10 0 CFAELP CCO[C@H](C[NH3+])CC[N@@H+](CC)c1ccc(C)cc1 ZINC000062741222 520515884 /nfs/dbraw/zinc/51/58/84/520515884.db2.gz WYAPFBHEDQYHKT-HNNXBMFYSA-N 2 2 250.386 2.575 10 0 CFAELP CC(C)(C)[NH2+]C[C@]1(C[NH+]2Cc3ccccc3C2)CCOC1 ZINC000051249443 518762817 /nfs/dbraw/zinc/76/28/17/518762817.db2.gz MXCXTVHLXSZHGX-SFHVURJKSA-N 2 2 288.435 2.797 10 0 CFAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507102 519722619 /nfs/dbraw/zinc/72/26/19/519722619.db2.gz SAOJSRYQKYEBQX-GJZGRUSLSA-N 2 2 256.434 2.510 10 0 CFAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507102 519722620 /nfs/dbraw/zinc/72/26/20/519722620.db2.gz SAOJSRYQKYEBQX-GJZGRUSLSA-N 2 2 256.434 2.510 10 0 CFAELP CC(C)[NH2+]C[C@H](C)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374695 519724380 /nfs/dbraw/zinc/72/43/80/519724380.db2.gz IXTIWTXJSWCGKR-HNNXBMFYSA-N 2 2 293.430 2.582 10 0 CFAELP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)c1 ZINC000049197126 519748806 /nfs/dbraw/zinc/74/88/06/519748806.db2.gz FXOYSZGWYMKESU-GUYCJALGSA-N 2 2 291.439 2.882 10 0 CFAELP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)C1 ZINC000049150118 519852508 /nfs/dbraw/zinc/85/25/08/519852508.db2.gz GXJSXNUDKXHIIO-GVDBMIGSSA-N 3 2 281.488 2.571 10 0 CFAELP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)C1 ZINC000049150118 519852509 /nfs/dbraw/zinc/85/25/09/519852509.db2.gz GXJSXNUDKXHIIO-GVDBMIGSSA-N 3 2 281.488 2.571 10 0 CFAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC000054601383 519909770 /nfs/dbraw/zinc/90/97/70/519909770.db2.gz FRCMQTIGRCBASN-MQVJKMGUSA-N 2 2 259.397 2.577 10 0 CFAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC000054601383 519909774 /nfs/dbraw/zinc/90/97/74/519909774.db2.gz FRCMQTIGRCBASN-MQVJKMGUSA-N 2 2 259.397 2.577 10 0 CFAELP CC[NH2+]C[C@H](C)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052418996 519969658 /nfs/dbraw/zinc/96/96/58/519969658.db2.gz MEWDBXOMDPANRG-AWEZNQCLSA-N 2 2 295.858 2.708 10 0 CFAELP CCNc1[nH+]c2cc(OC)ccc2cc1Cn1cc[nH+]c1 ZINC000050818559 520359779 /nfs/dbraw/zinc/35/97/79/520359779.db2.gz GLZZRAUNRACQHY-UHFFFAOYSA-N 2 2 282.347 2.920 10 0 CFAELP CCOc1ccc(C[NH2+][C@@H](C[NH+](C)C)C(C)C)cc1 ZINC000049195126 521007712 /nfs/dbraw/zinc/00/77/12/521007712.db2.gz OJRGDOLETQQIFK-INIZCTEOSA-N 2 2 264.413 2.761 10 0 CFAELP CCn1cc(C[N@H+](CC)C2(C[NH3+])CCC(C)CC2)cn1 ZINC000050539249 521440638 /nfs/dbraw/zinc/44/06/38/521440638.db2.gz XWSGUUAKRKMSBV-UHFFFAOYSA-N 2 2 278.444 2.633 10 0 CFAELP CCn1cc(C[N@@H+](CC)C2(C[NH3+])CCC(C)CC2)cn1 ZINC000050539249 521440641 /nfs/dbraw/zinc/44/06/41/521440641.db2.gz XWSGUUAKRKMSBV-UHFFFAOYSA-N 2 2 278.444 2.633 10 0 CFAELP CCCc1nc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cs1 ZINC000231668327 521503760 /nfs/dbraw/zinc/50/37/60/521503760.db2.gz JTFFUSYBZNQFMU-ZDUSSCGKSA-N 2 2 267.442 2.670 10 0 CFAELP CCCc1nc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cs1 ZINC000231668327 521503753 /nfs/dbraw/zinc/50/37/53/521503753.db2.gz JTFFUSYBZNQFMU-ZDUSSCGKSA-N 2 2 267.442 2.670 10 0 CFAELP COc1c(C)c[nH+]c(CN[C@@H](CC(C)C)C[NH+](C)C)c1C ZINC000049556046 521813267 /nfs/dbraw/zinc/81/32/67/521813267.db2.gz AQGGWGWTLOPQQU-HNNXBMFYSA-N 2 2 293.455 2.773 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@H+](CC)C[C@@H]1CCCO1 ZINC000052203716 521930250 /nfs/dbraw/zinc/93/02/50/521930250.db2.gz VRKTYQPEVRVGNR-DOTOQJQBSA-N 2 2 276.424 2.750 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@@H+](CC)C[C@@H]1CCCO1 ZINC000052203716 521930253 /nfs/dbraw/zinc/93/02/53/521930253.db2.gz VRKTYQPEVRVGNR-DOTOQJQBSA-N 2 2 276.424 2.750 10 0 CFAELP COCC[C@](C)(C[NH3+])[NH+]1CCC2(CCCCC2)CC1 ZINC000061818822 521995556 /nfs/dbraw/zinc/99/55/56/521995556.db2.gz CVWWVAKWNTUFBS-OAHLLOKOSA-N 2 2 268.445 2.787 10 0 CFAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N1C[C@H](C)C[C@H](C)C1 ZINC000051435585 522101373 /nfs/dbraw/zinc/10/13/73/522101373.db2.gz WFCCEKJQJKMVAX-TXEJJXNPSA-N 2 2 261.413 2.900 10 0 CFAELP CC[C@H](C[NH2+]C(C)(C)C)[N@H+](C)CCc1ccncc1 ZINC000052483051 522190489 /nfs/dbraw/zinc/19/04/89/522190489.db2.gz WMWNPRBDZVHXLN-OAHLLOKOSA-N 2 2 263.429 2.723 10 0 CFAELP CC[C@H](C[NH2+]C(C)(C)C)[N@@H+](C)CCc1ccncc1 ZINC000052483051 522190502 /nfs/dbraw/zinc/19/05/02/522190502.db2.gz WMWNPRBDZVHXLN-OAHLLOKOSA-N 2 2 263.429 2.723 10 0 CFAELP CC[C@@H](C)[NH2+]CC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000049538833 522228000 /nfs/dbraw/zinc/22/80/00/522228000.db2.gz FJIVURZIRGCYCR-ZJUUUORDSA-N 2 2 255.431 2.799 10 0 CFAELP CC[C@H]([NH3+])Cc1cccc(OCCCn2cc[nH+]c2)c1 ZINC000049329006 522335306 /nfs/dbraw/zinc/33/53/06/522335306.db2.gz WSKBRNHLIUZFAY-HNNXBMFYSA-N 2 2 273.380 2.632 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[NH+]1CCC(C)(C)CC1 ZINC000061818339 522346609 /nfs/dbraw/zinc/34/66/09/522346609.db2.gz DCNGZIJKDWWYDS-GJZGRUSLSA-N 2 2 261.413 2.982 10 0 CFAELP COC1CC[NH+]([C@H](C[NH2+]C(C)C)c2ccccc2)CC1 ZINC000052455494 522708043 /nfs/dbraw/zinc/70/80/43/522708043.db2.gz YLSUPTQSFJAXPM-QGZVFWFLSA-N 2 2 276.424 2.837 10 0 CFAELP C[N@H+](Cc1cc(C[NH2+]C(C)(C)C)co1)C1CC[NH+](C)CC1 ZINC000052419876 523171782 /nfs/dbraw/zinc/17/17/82/523171782.db2.gz YDJUVEJOTOSPSI-UHFFFAOYSA-N 3 2 293.455 2.694 10 0 CFAELP C[N@@H+](Cc1cc(C[NH2+]C(C)(C)C)co1)C1CC[NH+](C)CC1 ZINC000052419876 523171794 /nfs/dbraw/zinc/17/17/94/523171794.db2.gz YDJUVEJOTOSPSI-UHFFFAOYSA-N 3 2 293.455 2.694 10 0 CFAELP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)cc1 ZINC000049150222 524138356 /nfs/dbraw/zinc/13/83/56/524138356.db2.gz JXBBQRNCPDYALA-CABCVRRESA-N 2 2 276.424 2.700 10 0 CFAELP C[C@H](CC[NH+](C)C)N[C@@H](c1cccs1)c1[nH+]ccn1C ZINC000049554048 524168410 /nfs/dbraw/zinc/16/84/10/524168410.db2.gz KTUHBXOOEBHJQD-OCCSQVGLSA-N 2 2 292.452 2.501 10 0 CFAELP Cc1ccc(C[N@H+](C)Cc2csc(C[NH3+])n2)cc1 ZINC000052424662 524393987 /nfs/dbraw/zinc/39/39/87/524393987.db2.gz ZHWYPDJANUHNQV-UHFFFAOYSA-N 2 2 261.394 2.542 10 0 CFAELP Cc1ccc(C[N@@H+](C)Cc2csc(C[NH3+])n2)cc1 ZINC000052424662 524393993 /nfs/dbraw/zinc/39/39/93/524393993.db2.gz ZHWYPDJANUHNQV-UHFFFAOYSA-N 2 2 261.394 2.542 10 0 CFAELP COc1ccccc1C[N@H+](C)CCC[NH2+]CC(C)C ZINC000052542249 524434951 /nfs/dbraw/zinc/43/49/51/524434951.db2.gz ITBHDDRSMAQQBU-UHFFFAOYSA-N 2 2 264.413 2.763 10 0 CFAELP COc1ccccc1C[N@@H+](C)CCC[NH2+]CC(C)C ZINC000052542249 524434957 /nfs/dbraw/zinc/43/49/57/524434957.db2.gz ITBHDDRSMAQQBU-UHFFFAOYSA-N 2 2 264.413 2.763 10 0 CFAELP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC000049149536 524525645 /nfs/dbraw/zinc/52/56/45/524525645.db2.gz DDCIVIZDBNHKCP-GJZGRUSLSA-N 2 2 276.424 2.787 10 0 CFAELP Cc1cccc(N2CC[NH+]([C@H](C)CC[NH2+]C(C)C)CC2)c1 ZINC000052418959 524560563 /nfs/dbraw/zinc/56/05/63/524560563.db2.gz JISKOUZEPRFLAN-QGZVFWFLSA-N 2 2 289.467 2.894 10 0 CFAELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000049149744 524594943 /nfs/dbraw/zinc/59/49/43/524594943.db2.gz KZCIOZOMTYBPAP-DZGCQCFKSA-N 2 2 260.381 2.584 10 0 CFAELP Cc1cc(C[N@H+]2CCOC[C@H]2C)oc1C[NH2+]C(C)(C)C ZINC000052476179 524700845 /nfs/dbraw/zinc/70/08/45/524700845.db2.gz ONRNRZWAKJWUJL-CYBMUJFWSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1cc(C[N@@H+]2CCOC[C@H]2C)oc1C[NH2+]C(C)(C)C ZINC000052476179 524700852 /nfs/dbraw/zinc/70/08/52/524700852.db2.gz ONRNRZWAKJWUJL-CYBMUJFWSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557399 524743411 /nfs/dbraw/zinc/74/34/11/524743411.db2.gz QBARCGVRXQCEEC-LBPRGKRZSA-N 2 2 297.830 2.517 10 0 CFAELP Cc1cc(C[NH2+][C@H](C[NH+](C)C)C(C)C)cc(C)c1O ZINC000049197365 524779869 /nfs/dbraw/zinc/77/98/69/524779869.db2.gz KFDUVONXVDWHGS-OAHLLOKOSA-N 2 2 264.413 2.685 10 0 CFAELP C[C@@H]1C[N@H+](CC(C)(C)C[NH2+]C(C)(C)C)C[C@H](C)O1 ZINC000051209730 524936185 /nfs/dbraw/zinc/93/61/85/524936185.db2.gz IFIVDUCISHIXIC-BETUJISGSA-N 2 2 256.434 2.510 10 0 CFAELP C[C@@H]1C[N@@H+](CC(C)(C)C[NH2+]C(C)(C)C)C[C@H](C)O1 ZINC000051209730 524936174 /nfs/dbraw/zinc/93/61/74/524936174.db2.gz IFIVDUCISHIXIC-BETUJISGSA-N 2 2 256.434 2.510 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1ccccc1)[N@H+](CCO)Cc1ccccc1 ZINC000050513925 525005986 /nfs/dbraw/zinc/00/59/86/525005986.db2.gz FOOFIPOXJFFPDY-QAPCUYQASA-N 2 2 284.403 2.569 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccccc1 ZINC000050513925 525005996 /nfs/dbraw/zinc/00/59/96/525005996.db2.gz FOOFIPOXJFFPDY-QAPCUYQASA-N 2 2 284.403 2.569 10 0 CFAELP C[C@@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@@]1(C)C[NH3+] ZINC000311414841 525061218 /nfs/dbraw/zinc/06/12/18/525061218.db2.gz CWWXANPGGBUPPS-BXKDBHETSA-N 2 2 273.302 2.522 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)CC(C)C)cc1C ZINC000050596571 525179047 /nfs/dbraw/zinc/17/90/47/525179047.db2.gz LRIOANOVGRLVDY-CQSZACIVSA-N 2 2 250.386 2.591 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)CC(C)C)cc1C ZINC000050596571 525179055 /nfs/dbraw/zinc/17/90/55/525179055.db2.gz LRIOANOVGRLVDY-CQSZACIVSA-N 2 2 250.386 2.591 10 0 CFAELP Cc1cc(N[C@H](C[NH+](C)C)C(C)C)nc(C(C)C)[nH+]1 ZINC000049218576 525303239 /nfs/dbraw/zinc/30/32/39/525303239.db2.gz UCCJKYLJXNXQKD-CYBMUJFWSA-N 2 2 264.417 2.907 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000050596450 525351393 /nfs/dbraw/zinc/35/13/93/525351393.db2.gz LJYDEHYXVARJBC-ZENOOKHLSA-N 2 2 276.424 2.981 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000050596450 525351401 /nfs/dbraw/zinc/35/14/01/525351401.db2.gz LJYDEHYXVARJBC-ZENOOKHLSA-N 2 2 276.424 2.981 10 0 CFAELP Cc1ccc(OCC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000051359684 525418719 /nfs/dbraw/zinc/41/87/19/525418719.db2.gz CAOMVWCBRIBGJQ-DLBZAZTESA-N 2 2 274.408 2.590 10 0 CFAELP Cc1ccc(OCC[N@H+]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000051359684 525418725 /nfs/dbraw/zinc/41/87/25/525418725.db2.gz CAOMVWCBRIBGJQ-DLBZAZTESA-N 2 2 274.408 2.590 10 0 CFAELP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)s1 ZINC000311086205 525474548 /nfs/dbraw/zinc/47/45/48/525474548.db2.gz XSPYEJAEIOJVOV-MWLCHTKSSA-N 2 2 288.844 2.507 10 0 CFAELP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)s1 ZINC000311086205 525474555 /nfs/dbraw/zinc/47/45/55/525474555.db2.gz XSPYEJAEIOJVOV-MWLCHTKSSA-N 2 2 288.844 2.507 10 0 CFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000192180637 526077149 /nfs/dbraw/zinc/07/71/49/526077149.db2.gz WGWFUVMDNOHLHX-PBHICJAKSA-N 2 2 285.391 2.838 10 0 CFAELP Cc1oc(C[NH2+]C(C)(C)C)cc1C[N@H+]1CCOC[C@@H]1C ZINC000052476091 526774968 /nfs/dbraw/zinc/77/49/68/526774968.db2.gz UBIDOCBIBKLPTD-LBPRGKRZSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1oc(C[NH2+]C(C)(C)C)cc1C[N@@H+]1CCOC[C@@H]1C ZINC000052476091 526774974 /nfs/dbraw/zinc/77/49/74/526774974.db2.gz UBIDOCBIBKLPTD-LBPRGKRZSA-N 2 2 280.412 2.697 10 0 CFAELP Cn1c(CC[C@H]2CCCC[NH2+]2)[nH+]c2cc(F)ccc21 ZINC000050926844 527051033 /nfs/dbraw/zinc/05/10/33/527051033.db2.gz RYQCJFGNUNNNHQ-GFCCVEGCSA-N 2 2 261.344 2.787 10 0 CFAELP Cc1ccc([C@H]2C[C@H]([NH3+])CC[N@H+]2C)cc1Br ZINC000675052553 545529330 /nfs/dbraw/zinc/52/93/30/545529330.db2.gz BFAFWFNPQFSRFV-DGCLKSJQSA-N 2 2 283.213 2.852 10 0 CFAELP Cc1ccc([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)cc1Br ZINC000675052553 545529335 /nfs/dbraw/zinc/52/93/35/545529335.db2.gz BFAFWFNPQFSRFV-DGCLKSJQSA-N 2 2 283.213 2.852 10 0 CFAELP CC(C)C[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000069607379 346896441 /nfs/dbraw/zinc/89/64/41/346896441.db2.gz RSNUYOKYHNSQCX-GOSISDBHSA-N 2 2 290.451 2.600 10 0 CFAELP CC(C)C[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000069607379 346896444 /nfs/dbraw/zinc/89/64/44/346896444.db2.gz RSNUYOKYHNSQCX-GOSISDBHSA-N 2 2 290.451 2.600 10 0 CFAELP CC(C)C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000069607379 346896445 /nfs/dbraw/zinc/89/64/45/346896445.db2.gz RSNUYOKYHNSQCX-GOSISDBHSA-N 2 2 290.451 2.600 10 0 CFAELP CC(C)C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000069607379 346896448 /nfs/dbraw/zinc/89/64/48/346896448.db2.gz RSNUYOKYHNSQCX-GOSISDBHSA-N 2 2 290.451 2.600 10 0 CFAELP CCc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000062808160 539336172 /nfs/dbraw/zinc/33/61/72/539336172.db2.gz PUCTUYSRONKDLQ-BBRMVZONSA-N 2 2 287.407 2.756 10 0 CFAELP CCc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000062808161 539336221 /nfs/dbraw/zinc/33/62/21/539336221.db2.gz PUCTUYSRONKDLQ-CJNGLKHVSA-N 2 2 287.407 2.756 10 0 CFAELP [NH3+]CC[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000019368760 346242257 /nfs/dbraw/zinc/24/22/57/346242257.db2.gz SDIDMUGFQCMLAB-OAHLLOKOSA-N 2 2 260.768 2.978 10 0 CFAELP CC(C)[NH+]1CCC(c2c[nH]c3ccc(N)[nH+]c32)CC1 ZINC000034625524 346318368 /nfs/dbraw/zinc/31/83/68/346318368.db2.gz WKUAUKJSTNHDRY-UHFFFAOYSA-N 2 2 258.369 2.733 10 0 CFAELP C[NH2+]CC1CCN(c2[nH+]c3ccccc3cc2C)CC1 ZINC000063106693 346696536 /nfs/dbraw/zinc/69/65/36/346696536.db2.gz FGICFUOPVKLAJN-UHFFFAOYSA-N 2 2 269.392 2.979 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N(C)CC(C)(C)C[NH3+] ZINC000093874727 347687235 /nfs/dbraw/zinc/68/72/35/347687235.db2.gz YPZDTSSTGSSVRP-UHFFFAOYSA-N 2 2 257.381 2.964 10 0 CFAELP CCC[N@@H+]1CCC[C@@]([NH2+]C)(c2nc(C)cs2)CC1 ZINC000086851393 179359474 /nfs/dbraw/zinc/35/94/74/179359474.db2.gz GSDSZSMBDJBAOV-AWEZNQCLSA-N 2 2 267.442 2.762 10 0 CFAELP CCC[N@H+]1CCC[C@@]([NH2+]C)(c2nc(C)cs2)CC1 ZINC000086851393 179359477 /nfs/dbraw/zinc/35/94/77/179359477.db2.gz GSDSZSMBDJBAOV-AWEZNQCLSA-N 2 2 267.442 2.762 10 0 CFAELP Cc1cc(Cn2cc[nH+]c2)c(Cn2cc[nH+]c2)cc1C ZINC000196389121 348148172 /nfs/dbraw/zinc/14/81/72/348148172.db2.gz GWFBAYHOLBTSTN-UHFFFAOYSA-N 2 2 266.348 2.793 10 0 CFAELP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1F ZINC000205961838 348155943 /nfs/dbraw/zinc/15/59/43/348155943.db2.gz VETUDDLKHANBAF-WBVHZDCISA-N 2 2 270.351 2.752 10 0 CFAELP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1F ZINC000205961838 348155947 /nfs/dbraw/zinc/15/59/47/348155947.db2.gz VETUDDLKHANBAF-WBVHZDCISA-N 2 2 270.351 2.752 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC000389231202 348540104 /nfs/dbraw/zinc/54/01/04/348540104.db2.gz INGNRRCWOGARKM-KGLIPLIRSA-N 2 2 262.397 2.748 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC000389231202 348540107 /nfs/dbraw/zinc/54/01/07/348540107.db2.gz INGNRRCWOGARKM-KGLIPLIRSA-N 2 2 262.397 2.748 10 0 CFAELP Cc1ncsc1C[N@@H+](C)[C@]1(C[NH3+])CCCC[C@@H]1C ZINC000104445668 186005035 /nfs/dbraw/zinc/00/50/35/186005035.db2.gz IVKLQGPQMJZEJA-FZMZJTMJSA-N 2 2 267.442 2.791 10 0 CFAELP Cc1ncsc1C[N@H+](C)[C@]1(C[NH3+])CCCC[C@@H]1C ZINC000104445668 186005037 /nfs/dbraw/zinc/00/50/37/186005037.db2.gz IVKLQGPQMJZEJA-FZMZJTMJSA-N 2 2 267.442 2.791 10 0 CFAELP Cc1ncsc1C[N@@H+](C)[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC000104445672 186005079 /nfs/dbraw/zinc/00/50/79/186005079.db2.gz IVKLQGPQMJZEJA-SMDDNHRTSA-N 2 2 267.442 2.791 10 0 CFAELP Cc1ncsc1C[N@H+](C)[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC000104445672 186005080 /nfs/dbraw/zinc/00/50/80/186005080.db2.gz IVKLQGPQMJZEJA-SMDDNHRTSA-N 2 2 267.442 2.791 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2cn1 ZINC000616614276 352384567 /nfs/dbraw/zinc/38/45/67/352384567.db2.gz BJTKWZLHYUNSPH-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1cc2ccccc2cn1 ZINC000616614276 352384570 /nfs/dbraw/zinc/38/45/70/352384570.db2.gz BJTKWZLHYUNSPH-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1ccnc2ccccc21 ZINC000616616132 352385497 /nfs/dbraw/zinc/38/54/97/352385497.db2.gz ITSXISJUOCKMFV-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1ccnc2ccccc21 ZINC000616616132 352385499 /nfs/dbraw/zinc/38/54/99/352385499.db2.gz ITSXISJUOCKMFV-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1cncc2ccccc21 ZINC000616616703 352386213 /nfs/dbraw/zinc/38/62/13/352386213.db2.gz USACYFGQSYFCRA-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1cncc2ccccc21 ZINC000616616703 352386217 /nfs/dbraw/zinc/38/62/17/352386217.db2.gz USACYFGQSYFCRA-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP CC(=O)Nc1cccc([C@H]2CCCCC[N@@H+]2CC[NH3+])c1 ZINC000616624933 352388578 /nfs/dbraw/zinc/38/85/78/352388578.db2.gz SXAIKQAZNAZKNG-MRXNPFEDSA-N 2 2 275.396 2.521 10 0 CFAELP CC(=O)Nc1cccc([C@H]2CCCCC[N@H+]2CC[NH3+])c1 ZINC000616624933 352388580 /nfs/dbraw/zinc/38/85/80/352388580.db2.gz SXAIKQAZNAZKNG-MRXNPFEDSA-N 2 2 275.396 2.521 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1cncc2ccccc21 ZINC000616626660 352390141 /nfs/dbraw/zinc/39/01/41/352390141.db2.gz USACYFGQSYFCRA-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1cncc2ccccc21 ZINC000616626660 352390143 /nfs/dbraw/zinc/39/01/43/352390143.db2.gz USACYFGQSYFCRA-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP CCC[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000624557790 353906062 /nfs/dbraw/zinc/90/60/62/353906062.db2.gz WISLCHDEZCXITC-RDJZCZTQSA-N 2 2 278.440 2.600 10 0 CFAELP CCC[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000624557790 353906065 /nfs/dbraw/zinc/90/60/65/353906065.db2.gz WISLCHDEZCXITC-RDJZCZTQSA-N 2 2 278.440 2.600 10 0 CFAELP CCC[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000624557790 353906068 /nfs/dbraw/zinc/90/60/68/353906068.db2.gz WISLCHDEZCXITC-RDJZCZTQSA-N 2 2 278.440 2.600 10 0 CFAELP CCC[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000624557790 353906070 /nfs/dbraw/zinc/90/60/70/353906070.db2.gz WISLCHDEZCXITC-RDJZCZTQSA-N 2 2 278.440 2.600 10 0 CFAELP C[C@H]1C[N@H+](Cc2csc(Br)c2)C[C@@H]1C[NH3+] ZINC000631841876 355604047 /nfs/dbraw/zinc/60/40/47/355604047.db2.gz RDPVVZMLJMHEPN-WPRPVWTQSA-N 2 2 289.242 2.537 10 0 CFAELP C[C@H]1C[N@@H+](Cc2csc(Br)c2)C[C@@H]1C[NH3+] ZINC000631841876 355604049 /nfs/dbraw/zinc/60/40/49/355604049.db2.gz RDPVVZMLJMHEPN-WPRPVWTQSA-N 2 2 289.242 2.537 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000246984186 540189207 /nfs/dbraw/zinc/18/92/07/540189207.db2.gz JVRBRBVJKDJQGZ-ZBFHGGJFSA-N 2 2 262.372 2.887 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000246984186 540189210 /nfs/dbraw/zinc/18/92/10/540189210.db2.gz JVRBRBVJKDJQGZ-ZBFHGGJFSA-N 2 2 262.372 2.887 10 0 CFAELP CO[C@@H]1CCC[C@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)C1 ZINC000251458652 540387556 /nfs/dbraw/zinc/38/75/56/540387556.db2.gz YJUMQRDRLFDBJK-RRFJBIMHSA-N 2 2 256.434 2.510 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000178747665 189142766 /nfs/dbraw/zinc/14/27/66/189142766.db2.gz PSDHLDYFLYBVNZ-QGZVFWFLSA-N 2 2 297.402 2.791 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000178747665 189142767 /nfs/dbraw/zinc/14/27/67/189142767.db2.gz PSDHLDYFLYBVNZ-QGZVFWFLSA-N 2 2 297.402 2.791 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccs1 ZINC000180123860 189237764 /nfs/dbraw/zinc/23/77/64/189237764.db2.gz DOQZFMWGSKOBNU-ZDUSSCGKSA-N 2 2 261.394 2.918 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccs1 ZINC000180123860 189237765 /nfs/dbraw/zinc/23/77/65/189237765.db2.gz DOQZFMWGSKOBNU-ZDUSSCGKSA-N 2 2 261.394 2.918 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC000184530108 189388161 /nfs/dbraw/zinc/38/81/61/189388161.db2.gz XQDXBQPVXOVZSU-KBPBESRZSA-N 2 2 285.395 2.634 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC000184530108 189388162 /nfs/dbraw/zinc/38/81/62/189388162.db2.gz XQDXBQPVXOVZSU-KBPBESRZSA-N 2 2 285.395 2.634 10 0 CFAELP CC/C=C/CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000184523182 189388375 /nfs/dbraw/zinc/38/83/75/189388375.db2.gz QETZYZRYBULAHI-SNAWJCMRSA-N 2 2 290.455 2.636 10 0 CFAELP CC/C=C/CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000184523182 189388376 /nfs/dbraw/zinc/38/83/76/189388376.db2.gz QETZYZRYBULAHI-SNAWJCMRSA-N 2 2 290.455 2.636 10 0 CFAELP CCCc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2ccncc2)[nH+]1 ZINC000070456501 374181482 /nfs/dbraw/zinc/18/14/82/374181482.db2.gz DXFLPUIBEASOTH-OAHLLOKOSA-N 2 2 297.406 2.655 10 0 CFAELP CCc1c(C)[nH+]c(-c2ccncc2)nc1NC1CC[NH2+]CC1 ZINC000070451735 374178019 /nfs/dbraw/zinc/17/80/19/374178019.db2.gz LHFUPSVXXDSDIU-UHFFFAOYSA-N 2 2 297.406 2.573 10 0 CFAELP Cc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccc(Cl)cc2)[nH+]1 ZINC000070455955 374179226 /nfs/dbraw/zinc/17/92/26/374179226.db2.gz SANZKFLLVBDNFC-ZDUSSCGKSA-N 2 2 288.782 2.643 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000104386609 375781016 /nfs/dbraw/zinc/78/10/16/375781016.db2.gz NBUXVEBARLUTAW-AWEZNQCLSA-N 2 2 255.365 2.548 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccnc2ccccc12 ZINC000104386609 375781020 /nfs/dbraw/zinc/78/10/20/375781020.db2.gz NBUXVEBARLUTAW-AWEZNQCLSA-N 2 2 255.365 2.548 10 0 CFAELP CC1(CNc2cc(C(F)(F)F)cc[nH+]2)CC[NH2+]CC1 ZINC000129479739 377431864 /nfs/dbraw/zinc/43/18/64/377431864.db2.gz VOQADJADIDFLCL-UHFFFAOYSA-N 2 2 273.302 2.902 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000131900341 377776570 /nfs/dbraw/zinc/77/65/70/377776570.db2.gz GQLVRYZFSCHTPX-AWEZNQCLSA-N 2 2 295.390 2.732 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000131900341 377776582 /nfs/dbraw/zinc/77/65/82/377776582.db2.gz GQLVRYZFSCHTPX-AWEZNQCLSA-N 2 2 295.390 2.732 10 0 CFAELP CC(C)[N@H+]1C[C@H](Nc2[nH]c3ccccc3[nH+]2)[C@@H](C)C1 ZINC000135065170 378079391 /nfs/dbraw/zinc/07/93/91/378079391.db2.gz NLWCUBHZQYHPMN-FZMZJTMJSA-N 2 2 258.369 2.704 10 0 CFAELP CC(C)[N@@H+]1C[C@H](Nc2[nH]c3ccccc3[nH+]2)[C@@H](C)C1 ZINC000135065170 378079393 /nfs/dbraw/zinc/07/93/93/378079393.db2.gz NLWCUBHZQYHPMN-FZMZJTMJSA-N 2 2 258.369 2.704 10 0 CFAELP CCC[C@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000138070765 378230829 /nfs/dbraw/zinc/23/08/29/378230829.db2.gz CHDYNUKVHKVTKR-OAHLLOKOSA-N 2 2 286.379 2.541 10 0 CFAELP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)s1 ZINC000151245513 378310832 /nfs/dbraw/zinc/31/08/32/378310832.db2.gz KQEGVRFREICKFA-KGLIPLIRSA-N 2 2 282.453 2.554 10 0 CFAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000151325083 378317670 /nfs/dbraw/zinc/31/76/70/378317670.db2.gz IUZAPUMKRLBQAS-CJNGLKHVSA-N 2 2 296.842 2.837 10 0 CFAELP C[C@H]([NH3+])[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000168592920 379092854 /nfs/dbraw/zinc/09/28/54/379092854.db2.gz QQIVGQZSMQACKV-GXTWGEPZSA-N 2 2 255.365 2.798 10 0 CFAELP Cc1csc([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000182743978 381149264 /nfs/dbraw/zinc/14/92/64/381149264.db2.gz YGDCZXNTOJDBEH-CQSZACIVSA-N 2 2 290.436 2.918 10 0 CFAELP Cc1csc([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000182743978 381149280 /nfs/dbraw/zinc/14/92/80/381149280.db2.gz YGDCZXNTOJDBEH-CQSZACIVSA-N 2 2 290.436 2.918 10 0 CFAELP CCc1cc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000302093761 382206602 /nfs/dbraw/zinc/20/66/02/382206602.db2.gz NCABRHNGLFOKLR-CYBMUJFWSA-N 2 2 288.439 2.801 10 0 CFAELP CCc1cc(N2CCC([N@H+]3CCC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000302093761 382206606 /nfs/dbraw/zinc/20/66/06/382206606.db2.gz NCABRHNGLFOKLR-CYBMUJFWSA-N 2 2 288.439 2.801 10 0 CFAELP Fc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000188409225 382408551 /nfs/dbraw/zinc/40/85/51/382408551.db2.gz WETWOYYXNHPVMN-AWEZNQCLSA-N 2 2 277.318 2.826 10 0 CFAELP Fc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000188409225 382408555 /nfs/dbraw/zinc/40/85/55/382408555.db2.gz WETWOYYXNHPVMN-AWEZNQCLSA-N 2 2 277.318 2.826 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000389274443 382612589 /nfs/dbraw/zinc/61/25/89/382612589.db2.gz RWPPLYZZPRWJFS-HNNXBMFYSA-N 2 2 274.408 2.584 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000389274443 382612592 /nfs/dbraw/zinc/61/25/92/382612592.db2.gz RWPPLYZZPRWJFS-HNNXBMFYSA-N 2 2 274.408 2.584 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(OC)cc32)C1 ZINC000389211274 382612731 /nfs/dbraw/zinc/61/27/31/382612731.db2.gz BYQDXVDPKBLAEN-PBHICJAKSA-N 2 2 274.408 2.756 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(OC)cc32)C1 ZINC000389211274 382612733 /nfs/dbraw/zinc/61/27/33/382612733.db2.gz BYQDXVDPKBLAEN-PBHICJAKSA-N 2 2 274.408 2.756 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000389230468 382613321 /nfs/dbraw/zinc/61/33/21/382613321.db2.gz IKEDWNHQOXRHNS-MOKVOYLWSA-N 2 2 262.372 2.756 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000389230468 382613324 /nfs/dbraw/zinc/61/33/24/382613324.db2.gz IKEDWNHQOXRHNS-MOKVOYLWSA-N 2 2 262.372 2.756 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC)C2)C12CCCCC2 ZINC000389318949 382613882 /nfs/dbraw/zinc/61/38/82/382613882.db2.gz HAHGVJNBSUZQIQ-OWCLPIDISA-N 2 2 280.456 2.798 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C2)C12CCCCC2 ZINC000389318949 382613883 /nfs/dbraw/zinc/61/38/83/382613883.db2.gz HAHGVJNBSUZQIQ-OWCLPIDISA-N 2 2 280.456 2.798 10 0 CFAELP Cc1ccc(F)c(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC000234357922 382874158 /nfs/dbraw/zinc/87/41/58/382874158.db2.gz CZMPESRRKYDZSF-ZDUSSCGKSA-N 2 2 250.361 2.566 10 0 CFAELP Cc1ccc(F)c(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC000234357922 382874160 /nfs/dbraw/zinc/87/41/60/382874160.db2.gz CZMPESRRKYDZSF-ZDUSSCGKSA-N 2 2 250.361 2.566 10 0 CFAELP Cc1cc[nH+]c(N[C@@H](C)[C@H]2CCC[NH2+]C2)c1Br ZINC000235541817 382883873 /nfs/dbraw/zinc/88/38/73/382883873.db2.gz HLXVVBXNQGYZDS-QWRGUYRKSA-N 2 2 298.228 2.953 10 0 CFAELP C(C[NH+]1CCCCC1)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000246668021 383091693 /nfs/dbraw/zinc/09/16/93/383091693.db2.gz FCZYCQKWBRRHIC-CVEARBPZSA-N 2 2 266.429 2.506 10 0 CFAELP C(C[NH+]1CCCCC1)C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000246668021 383091699 /nfs/dbraw/zinc/09/16/99/383091699.db2.gz FCZYCQKWBRRHIC-CVEARBPZSA-N 2 2 266.429 2.506 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCCN1c1cc[nH+]cc1Cl ZINC000253406393 383456405 /nfs/dbraw/zinc/45/64/05/383456405.db2.gz ZSQHRCAGRJWKDK-GFCCVEGCSA-N 2 2 276.771 2.909 10 0 CFAELP CC(C)(C)c1nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000261601537 383526736 /nfs/dbraw/zinc/52/67/36/383526736.db2.gz QEHGOIYIHPGEQR-DRZSPHRISA-N 2 2 279.453 2.610 10 0 CFAELP CC(C)(C)c1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000261601537 383526739 /nfs/dbraw/zinc/52/67/39/383526739.db2.gz QEHGOIYIHPGEQR-DRZSPHRISA-N 2 2 279.453 2.610 10 0 CFAELP CCc1oc2ccccc2c1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261936378 383582989 /nfs/dbraw/zinc/58/29/89/383582989.db2.gz DGURJKCFYMDNSK-FZMZJTMJSA-N 2 2 258.365 2.774 10 0 CFAELP CCc1oc2ccccc2c1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261936378 383582993 /nfs/dbraw/zinc/58/29/93/383582993.db2.gz DGURJKCFYMDNSK-FZMZJTMJSA-N 2 2 258.365 2.774 10 0 CFAELP CC(C)(C)c1cnc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC000262038322 383598547 /nfs/dbraw/zinc/59/85/47/383598547.db2.gz XZGMJJRFVKQHBD-SRVKXCTJSA-N 2 2 279.453 2.610 10 0 CFAELP CC(C)(C)c1cnc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC000262038322 383598552 /nfs/dbraw/zinc/59/85/52/383598552.db2.gz XZGMJJRFVKQHBD-SRVKXCTJSA-N 2 2 279.453 2.610 10 0 CFAELP C[NH+](C)C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000070346259 412970479 /nfs/dbraw/zinc/97/04/79/412970479.db2.gz XRKHHKRVMKSEJX-HOTGVXAUSA-N 2 2 276.424 2.837 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c(cccc3OC)C2)C1 ZINC000192439951 393623845 /nfs/dbraw/zinc/62/38/45/393623845.db2.gz XDMNQMKDSCDHHA-CVEARBPZSA-N 2 2 288.435 2.626 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c(cccc3OC)C2)C1 ZINC000192439951 393623847 /nfs/dbraw/zinc/62/38/47/393623847.db2.gz XDMNQMKDSCDHHA-CVEARBPZSA-N 2 2 288.435 2.626 10 0 CFAELP Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000219759672 393761183 /nfs/dbraw/zinc/76/11/83/393761183.db2.gz AWIOECDPHXFIOZ-AWEZNQCLSA-N 2 2 252.789 2.962 10 0 CFAELP Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000219759672 393761184 /nfs/dbraw/zinc/76/11/84/393761184.db2.gz AWIOECDPHXFIOZ-AWEZNQCLSA-N 2 2 252.789 2.962 10 0 CFAELP CCC[C@H](C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000245893504 393834912 /nfs/dbraw/zinc/83/49/12/393834912.db2.gz QLJONJWTUNOFPD-MSOLQXFVSA-N 2 2 290.451 2.833 10 0 CFAELP CCC[C@H](C[N@H+]1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000245893504 393834921 /nfs/dbraw/zinc/83/49/21/393834921.db2.gz QLJONJWTUNOFPD-MSOLQXFVSA-N 2 2 290.451 2.833 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000111763578 393887111 /nfs/dbraw/zinc/88/71/11/393887111.db2.gz ZCCLZYRUTQLECG-OAHLLOKOSA-N 2 2 269.392 2.809 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000111763578 393887116 /nfs/dbraw/zinc/88/71/16/393887116.db2.gz ZCCLZYRUTQLECG-OAHLLOKOSA-N 2 2 269.392 2.809 10 0 CFAELP c1ccc2c(C[NH2+][C@@H]3CC[N@@H+](C4CC4)C3)ccnc2c1 ZINC000111763684 393888053 /nfs/dbraw/zinc/88/80/53/393888053.db2.gz OMMYERJOBYXYIU-CQSZACIVSA-N 2 2 267.376 2.561 10 0 CFAELP c1ccc2c(C[NH2+][C@@H]3CC[N@H+](C4CC4)C3)ccnc2c1 ZINC000111763684 393888054 /nfs/dbraw/zinc/88/80/54/393888054.db2.gz OMMYERJOBYXYIU-CQSZACIVSA-N 2 2 267.376 2.561 10 0 CFAELP C[NH+](C)CC1CCN(c2ccc3cc(N)ccc3[nH+]2)CC1 ZINC000042393056 134888190 /nfs/dbraw/zinc/88/81/90/134888190.db2.gz XVISRYGUZMKAHX-UHFFFAOYSA-N 2 2 284.407 2.595 10 0 CFAELP C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000037163884 543026669 /nfs/dbraw/zinc/02/66/69/543026669.db2.gz MTXPXVXELWOCSE-QRTARXTBSA-N 2 2 285.391 2.826 10 0 CFAELP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3)n2c1 ZINC000188414304 543061883 /nfs/dbraw/zinc/06/18/83/543061883.db2.gz ZRCLEOBLWMLHDN-OAHLLOKOSA-N 2 2 295.390 2.504 10 0 CFAELP Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3)n2c1 ZINC000188414304 543061885 /nfs/dbraw/zinc/06/18/85/543061885.db2.gz ZRCLEOBLWMLHDN-OAHLLOKOSA-N 2 2 295.390 2.504 10 0 CFAELP Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3C3CC[NH2+]CC3)nc2c1 ZINC000038042459 292393558 /nfs/dbraw/zinc/39/35/58/292393558.db2.gz SKJAAKKWJFGHBX-MRXNPFEDSA-N 2 2 284.407 2.760 10 0 CFAELP Cc1ccc2[nH]c([C@H]3CCC[N@H+]3C3CC[NH2+]CC3)nc2c1 ZINC000038042459 292393561 /nfs/dbraw/zinc/39/35/61/292393561.db2.gz SKJAAKKWJFGHBX-MRXNPFEDSA-N 2 2 284.407 2.760 10 0 CFAELP Cc1ccc2nc([C@H]3CCC[N@@H+]3C3CC[NH2+]CC3)[nH]c2c1 ZINC000038042459 292393563 /nfs/dbraw/zinc/39/35/63/292393563.db2.gz SKJAAKKWJFGHBX-MRXNPFEDSA-N 2 2 284.407 2.760 10 0 CFAELP Cc1ccc2nc([C@H]3CCC[N@H+]3C3CC[NH2+]CC3)[nH]c2c1 ZINC000038042459 292393565 /nfs/dbraw/zinc/39/35/65/292393565.db2.gz SKJAAKKWJFGHBX-MRXNPFEDSA-N 2 2 284.407 2.760 10 0 CFAELP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(F)c(F)c1 ZINC000657286577 413394897 /nfs/dbraw/zinc/39/48/97/413394897.db2.gz PRYZVBQFMDUKTD-JTQLQIEISA-N 2 2 277.318 2.958 10 0 CFAELP CCC[N@H+](C)[C@@H](C[NH3+])c1ccc(OC(C)C)cc1 ZINC000020226582 171092108 /nfs/dbraw/zinc/09/21/08/171092108.db2.gz NYQRIPBINQLEQD-HNNXBMFYSA-N 2 2 250.386 2.815 10 0 CFAELP CCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC(C)C)cc1 ZINC000020226582 171092110 /nfs/dbraw/zinc/09/21/10/171092110.db2.gz NYQRIPBINQLEQD-HNNXBMFYSA-N 2 2 250.386 2.815 10 0 CFAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2cnn(-c3ccccc3)c2)C1 ZINC000022172602 171368667 /nfs/dbraw/zinc/36/86/67/171368667.db2.gz QFCDNSSRLWHCCZ-PBHICJAKSA-N 2 2 284.407 2.604 10 0 CFAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2cnn(-c3ccccc3)c2)C1 ZINC000022172602 171368668 /nfs/dbraw/zinc/36/86/68/171368668.db2.gz QFCDNSSRLWHCCZ-PBHICJAKSA-N 2 2 284.407 2.604 10 0 CFAELP COc1ccccc1[C@@H](C[NH3+])[N@H+](C)C1CCCCC1 ZINC000022213892 171374764 /nfs/dbraw/zinc/37/47/64/171374764.db2.gz WGYMIQMAXFTYOG-OAHLLOKOSA-N 2 2 262.397 2.960 10 0 CFAELP COc1ccccc1[C@@H](C[NH3+])[N@@H+](C)C1CCCCC1 ZINC000022213892 171374766 /nfs/dbraw/zinc/37/47/66/171374766.db2.gz WGYMIQMAXFTYOG-OAHLLOKOSA-N 2 2 262.397 2.960 10 0 CFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)Cc1ccc(Cl)cc1 ZINC000035570043 172265409 /nfs/dbraw/zinc/26/54/09/172265409.db2.gz KRDSLFHQGFEFSF-CYBMUJFWSA-N 2 2 263.772 2.826 10 0 CFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(F)cc1F ZINC000035570291 172266467 /nfs/dbraw/zinc/26/64/67/172266467.db2.gz DIOMXALNXUIDQQ-LBPRGKRZSA-N 2 2 251.280 2.581 10 0 CFAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)Cc1ccc(F)cc1 ZINC000035586573 172285796 /nfs/dbraw/zinc/28/57/96/172285796.db2.gz NSIYKMXLZCPVJQ-AWEZNQCLSA-N 2 2 261.344 2.702 10 0 CFAELP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037314064 173116006 /nfs/dbraw/zinc/11/60/06/173116006.db2.gz KGCNNLZOVNOAPA-QPSCCSFWSA-N 2 2 263.385 2.524 10 0 CFAELP CC(C)[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363870 173153061 /nfs/dbraw/zinc/15/30/61/173153061.db2.gz BVWDCZJHNJBAQL-DOMZBBRYSA-N 2 2 262.397 2.598 10 0 CFAELP CC(C)[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363870 173153064 /nfs/dbraw/zinc/15/30/64/173153064.db2.gz BVWDCZJHNJBAQL-DOMZBBRYSA-N 2 2 262.397 2.598 10 0 CFAELP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000037490206 173231867 /nfs/dbraw/zinc/23/18/67/173231867.db2.gz UABVWMPVGUXICR-ZACQAIPSSA-N 2 2 276.424 2.573 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000038028841 174018044 /nfs/dbraw/zinc/01/80/44/174018044.db2.gz YPMZZNHPQOVVBJ-BRWVUGGUSA-N 3 2 281.488 2.571 10 0 CFAELP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000038028841 174018046 /nfs/dbraw/zinc/01/80/46/174018046.db2.gz YPMZZNHPQOVVBJ-BRWVUGGUSA-N 3 2 281.488 2.571 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)C2CC2)cc1Br ZINC000038052095 174063484 /nfs/dbraw/zinc/06/34/84/174063484.db2.gz QKZUYXSYBFAIOO-GFCCVEGCSA-N 2 2 299.212 2.552 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)C2CC2)cc1Br ZINC000038052095 174063486 /nfs/dbraw/zinc/06/34/86/174063486.db2.gz QKZUYXSYBFAIOO-GFCCVEGCSA-N 2 2 299.212 2.552 10 0 CFAELP Fc1ccccc1-c1c[nH]c(CC2CC[NH2+]CC2)[nH+]1 ZINC000038076111 174086542 /nfs/dbraw/zinc/08/65/42/174086542.db2.gz QFNDLYMKVZVBJC-UHFFFAOYSA-N 2 2 259.328 2.758 10 0 CFAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000038808993 174156008 /nfs/dbraw/zinc/15/60/08/174156008.db2.gz QWTWKJBJGJMSPP-AWEZNQCLSA-N 2 2 280.412 2.826 10 0 CFAELP COc1ccc(OC)c([C@H](C[NH3+])[NH+]2CCCCCC2)c1 ZINC000038809068 174156446 /nfs/dbraw/zinc/15/64/46/174156446.db2.gz MZEAQSPLTPTTKD-HNNXBMFYSA-N 2 2 278.396 2.580 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789072 174173715 /nfs/dbraw/zinc/17/37/15/174173715.db2.gz FQFQEZHWJABZNH-ZENOOKHLSA-N 2 2 262.397 2.958 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789072 174173719 /nfs/dbraw/zinc/17/37/19/174173719.db2.gz FQFQEZHWJABZNH-ZENOOKHLSA-N 2 2 262.397 2.958 10 0 CFAELP C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1ccc2c(c1)CCC2 ZINC000040638959 174362741 /nfs/dbraw/zinc/36/27/41/174362741.db2.gz BBYMSXDDARKKCE-CYBMUJFWSA-N 2 2 269.392 2.802 10 0 CFAELP C[C@H]([NH2+]CCc1[nH+]ccn1C)c1nc2ccccc2s1 ZINC000040638809 174362760 /nfs/dbraw/zinc/36/27/60/174362760.db2.gz QKPRKMDEPBVYOI-NSHDSACASA-N 2 2 286.404 2.923 10 0 CFAELP CCOc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2C)cc1 ZINC000040638758 174362894 /nfs/dbraw/zinc/36/28/94/174362894.db2.gz ZEBQLSWQMYIRLY-ZDUSSCGKSA-N 2 2 273.380 2.712 10 0 CFAELP C[C@@H](CCc1ccccc1)[NH2+]CCc1[nH+]ccn1C ZINC000040638653 174362999 /nfs/dbraw/zinc/36/29/99/174362999.db2.gz GVGGROCJIDPDMH-AWEZNQCLSA-N 2 2 257.381 2.574 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc(Br)cc1 ZINC000040638512 174363214 /nfs/dbraw/zinc/36/32/14/174363214.db2.gz KXQQQRSZBZRKRJ-UHFFFAOYSA-N 2 2 294.196 2.515 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000040638763 174363249 /nfs/dbraw/zinc/36/32/49/174363249.db2.gz NLZKBGLCZISEDY-CYBMUJFWSA-N 2 2 273.405 2.789 10 0 CFAELP Cc1ccccc1C1CC([NH2+]CCc2[nH+]ccn2C)C1 ZINC000040639088 174363362 /nfs/dbraw/zinc/36/33/62/174363362.db2.gz XWNSRUDXEOGNNB-UHFFFAOYSA-N 2 2 269.392 2.807 10 0 CFAELP COc1cc(C)ccc1[C@@H](C)[NH2+]CCc1[nH+]ccn1C ZINC000040639263 174363767 /nfs/dbraw/zinc/36/37/67/174363767.db2.gz GUVXSUKSPCRFDW-CYBMUJFWSA-N 2 2 273.380 2.630 10 0 CFAELP Cc1cccc2c1OCCC[C@H]2[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040673108 174371256 /nfs/dbraw/zinc/37/12/56/174371256.db2.gz KLXOPBQPHFNXQE-GOEBONIOSA-N 2 2 274.408 2.893 10 0 CFAELP Cc1cccc2c1OCCC[C@H]2[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040673108 174371257 /nfs/dbraw/zinc/37/12/57/174371257.db2.gz KLXOPBQPHFNXQE-GOEBONIOSA-N 2 2 274.408 2.893 10 0 CFAELP C[N@@H+]1CCC[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000040672782 174371308 /nfs/dbraw/zinc/37/13/08/174371308.db2.gz FZQAWLPTODKETK-OGVSOVDVSA-N 2 2 262.372 2.756 10 0 CFAELP C[N@H+]1CCC[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000040672782 174371309 /nfs/dbraw/zinc/37/13/09/174371309.db2.gz FZQAWLPTODKETK-OGVSOVDVSA-N 2 2 262.372 2.756 10 0 CFAELP Nc1c(Nc2cc[nH+]cc2)nc[nH+]c1N1CCCCCC1 ZINC000040687519 174375901 /nfs/dbraw/zinc/37/59/01/174375901.db2.gz ALOHCCNHBIMYKS-UHFFFAOYSA-N 2 2 284.367 2.578 10 0 CFAELP C[N@H+](Cc1nc2ccccc2o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746867 174391953 /nfs/dbraw/zinc/39/19/53/174391953.db2.gz WQERKHTXVVIABS-FUNVUKJBSA-N 2 2 271.364 2.543 10 0 CFAELP C[N@@H+](Cc1nc2ccccc2o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746867 174391956 /nfs/dbraw/zinc/39/19/56/174391956.db2.gz WQERKHTXVVIABS-FUNVUKJBSA-N 2 2 271.364 2.543 10 0 CFAELP C[C@@H](c1ccc(F)cc1F)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749330 174393683 /nfs/dbraw/zinc/39/36/83/174393683.db2.gz HWUHYDNWYWGQAC-SMHCIBLRSA-N 2 2 266.335 2.980 10 0 CFAELP C[C@@H](c1ccc(F)cc1F)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749330 174393685 /nfs/dbraw/zinc/39/36/85/174393685.db2.gz HWUHYDNWYWGQAC-SMHCIBLRSA-N 2 2 266.335 2.980 10 0 CFAELP CCC[N@H+](Cc1ncc(Cl)n1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748567 174394035 /nfs/dbraw/zinc/39/40/35/174394035.db2.gz OXMKYZWXRYNSCA-FUNVUKJBSA-N 2 2 296.846 2.569 10 0 CFAELP CCC[N@@H+](Cc1ncc(Cl)n1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748567 174394036 /nfs/dbraw/zinc/39/40/36/174394036.db2.gz OXMKYZWXRYNSCA-FUNVUKJBSA-N 2 2 296.846 2.569 10 0 CFAELP CC(C)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000043326148 175007380 /nfs/dbraw/zinc/00/73/80/175007380.db2.gz MZPLUGXARJKTLU-LSDHHAIUSA-N 2 2 250.361 2.864 10 0 CFAELP Clc1cccc(N[C@H]2CCC[NH2+]C2)c1-n1cc[nH+]c1 ZINC000043325722 175007450 /nfs/dbraw/zinc/00/74/50/175007450.db2.gz WEGGYBONRUWLDI-NSHDSACASA-N 2 2 276.771 2.690 10 0 CFAELP CC(C)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000043326142 175007784 /nfs/dbraw/zinc/00/77/84/175007784.db2.gz MZPLUGXARJKTLU-CABCVRRESA-N 2 2 250.361 2.864 10 0 CFAELP CCOC1CC[NH+]([C@H](c2ccco2)[C@H]([NH3+])CC)CC1 ZINC000043335494 175011006 /nfs/dbraw/zinc/01/10/06/175011006.db2.gz LHAZBGPAQYXFJL-HIFRSBDPSA-N 2 2 266.385 2.559 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043335747 175011429 /nfs/dbraw/zinc/01/14/29/175011429.db2.gz GIMFIHJKFVMPOK-KCQAQPDRSA-N 2 2 266.385 2.559 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043335747 175011431 /nfs/dbraw/zinc/01/14/31/175011431.db2.gz GIMFIHJKFVMPOK-KCQAQPDRSA-N 2 2 266.385 2.559 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043335748 175011530 /nfs/dbraw/zinc/01/15/30/175011530.db2.gz GIMFIHJKFVMPOK-GZBFAFLISA-N 2 2 266.385 2.559 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043335748 175011531 /nfs/dbraw/zinc/01/15/31/175011531.db2.gz GIMFIHJKFVMPOK-GZBFAFLISA-N 2 2 266.385 2.559 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[NH+]1CCC(CC)CC1 ZINC000043339926 175013813 /nfs/dbraw/zinc/01/38/13/175013813.db2.gz QHNMVMKXZIXVKB-GDBMZVCRSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000043341010 175015219 /nfs/dbraw/zinc/01/52/19/175015219.db2.gz LOLMMIAVRKCHMX-SJXGUFTOSA-N 2 2 261.413 2.980 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000043341010 175015220 /nfs/dbraw/zinc/01/52/20/175015220.db2.gz LOLMMIAVRKCHMX-SJXGUFTOSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[NH+]1CCC(CC)CC1 ZINC000043354071 175021173 /nfs/dbraw/zinc/02/11/73/175021173.db2.gz MYYFLQVTCYKUFP-HOTGVXAUSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+](CC(C)C)C1CC1 ZINC000043354657 175022017 /nfs/dbraw/zinc/02/20/17/175022017.db2.gz FZFIPUVATVGYLV-JKSUJKDBSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](CC(C)C)C1CC1 ZINC000043354657 175022018 /nfs/dbraw/zinc/02/20/18/175022018.db2.gz FZFIPUVATVGYLV-JKSUJKDBSA-N 2 2 261.413 2.980 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@H](c1ccncc1)[C@H](C)[NH3+] ZINC000043354922 175023084 /nfs/dbraw/zinc/02/30/84/175023084.db2.gz NORLDHRZIXUOOH-ZBEGNZNMSA-N 2 2 266.348 2.676 10 0 CFAELP COCC[N@H+](CC(C)C)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043364966 175025228 /nfs/dbraw/zinc/02/52/28/175025228.db2.gz FDCLFQVYQDBYDI-UKRRQHHQSA-N 2 2 268.401 2.581 10 0 CFAELP COCC[N@@H+](CC(C)C)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043364966 175025230 /nfs/dbraw/zinc/02/52/30/175025230.db2.gz FDCLFQVYQDBYDI-UKRRQHHQSA-N 2 2 268.401 2.581 10 0 CFAELP Cc1ccc([C@@H](C[NH3+])n2cc[nH+]c2-c2ccccc2)o1 ZINC000043365546 175027140 /nfs/dbraw/zinc/02/71/40/175027140.db2.gz WPJVBBOFJHDIMG-CQSZACIVSA-N 2 2 267.332 3.000 10 0 CFAELP Cc1cc(C)cc([C@@H](C[NH3+])[N@@H+]2CCCSCC2)c1 ZINC000043394318 175034988 /nfs/dbraw/zinc/03/49/88/175034988.db2.gz IPPXNGHVXWEDGP-OAHLLOKOSA-N 2 2 264.438 2.742 10 0 CFAELP Cc1cc(C)cc([C@@H](C[NH3+])[N@H+]2CCCSCC2)c1 ZINC000043394318 175034989 /nfs/dbraw/zinc/03/49/89/175034989.db2.gz IPPXNGHVXWEDGP-OAHLLOKOSA-N 2 2 264.438 2.742 10 0 CFAELP CCC1CCC(C[NH3+])([N@@H+]2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000043424927 175040278 /nfs/dbraw/zinc/04/02/78/175040278.db2.gz WZBPRVZWHJSHHN-VUROTCPHSA-N 2 2 280.456 2.928 10 0 CFAELP CCC1CCC(C[NH3+])([N@H+]2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000043424927 175040279 /nfs/dbraw/zinc/04/02/79/175040279.db2.gz WZBPRVZWHJSHHN-VUROTCPHSA-N 2 2 280.456 2.928 10 0 CFAELP C[N@H+](Cc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000043501431 175058455 /nfs/dbraw/zinc/05/84/55/175058455.db2.gz XQXNZGCUWYTWRF-CYBMUJFWSA-N 2 2 283.213 2.633 10 0 CFAELP C[N@@H+](Cc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000043501431 175058456 /nfs/dbraw/zinc/05/84/56/175058456.db2.gz XQXNZGCUWYTWRF-CYBMUJFWSA-N 2 2 283.213 2.633 10 0 CFAELP C[C@H](C[N@H+](C)Cc1sccc1Br)C(N)=[NH2+] ZINC000043675705 175088492 /nfs/dbraw/zinc/08/84/92/175088492.db2.gz GGNHLAXPEBWZAE-SSDOTTSWSA-N 2 2 290.230 2.514 10 0 CFAELP C[C@H](C[N@@H+](C)Cc1sccc1Br)C(N)=[NH2+] ZINC000043675705 175088493 /nfs/dbraw/zinc/08/84/93/175088493.db2.gz GGNHLAXPEBWZAE-SSDOTTSWSA-N 2 2 290.230 2.514 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)C1CCCCC1)OCCO2 ZINC000043815108 175111766 /nfs/dbraw/zinc/11/17/66/175111766.db2.gz NZTBKYHRDIMPFD-HOTGVXAUSA-N 2 2 296.455 2.525 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)C1CCCCC1)OCCO2 ZINC000043815108 175111767 /nfs/dbraw/zinc/11/17/67/175111767.db2.gz NZTBKYHRDIMPFD-HOTGVXAUSA-N 2 2 296.455 2.525 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897839 175120529 /nfs/dbraw/zinc/12/05/29/175120529.db2.gz OBKWFDUXBBWYQR-LSDHHAIUSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897839 175120530 /nfs/dbraw/zinc/12/05/30/175120530.db2.gz OBKWFDUXBBWYQR-LSDHHAIUSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+]1CCOC[C@@H]1CC ZINC000043899332 175122014 /nfs/dbraw/zinc/12/20/14/175122014.db2.gz CWWYHXUEPQJPDK-JONQDZQNSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+]1CCOC[C@@H]1CC ZINC000043899332 175122016 /nfs/dbraw/zinc/12/20/16/175122016.db2.gz CWWYHXUEPQJPDK-JONQDZQNSA-N 2 2 268.445 2.654 10 0 CFAELP CC[NH2+][C@@H](C)[C@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911661 175123639 /nfs/dbraw/zinc/12/36/39/175123639.db2.gz WJOQGHIBJMXVOS-STQMWFEESA-N 2 2 250.386 2.514 10 0 CFAELP CC[NH2+][C@@H](C)[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911661 175123640 /nfs/dbraw/zinc/12/36/40/175123640.db2.gz WJOQGHIBJMXVOS-STQMWFEESA-N 2 2 250.386 2.514 10 0 CFAELP CCC[NH2+][C@H](C)CC[N@H+](C)Cc1ccccc1OC ZINC000043912353 175123703 /nfs/dbraw/zinc/12/37/03/175123703.db2.gz SXDKGKLJFBPYII-CQSZACIVSA-N 2 2 264.413 2.905 10 0 CFAELP CCC[NH2+][C@H](C)CC[N@@H+](C)Cc1ccccc1OC ZINC000043912353 175123704 /nfs/dbraw/zinc/12/37/04/175123704.db2.gz SXDKGKLJFBPYII-CQSZACIVSA-N 2 2 264.413 2.905 10 0 CFAELP C[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911525 175123766 /nfs/dbraw/zinc/12/37/66/175123766.db2.gz IDKWKSCKYNMYCG-HZPDHXFCSA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911525 175123767 /nfs/dbraw/zinc/12/37/67/175123767.db2.gz IDKWKSCKYNMYCG-HZPDHXFCSA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(F)cc1 ZINC000043911083 175123854 /nfs/dbraw/zinc/12/38/54/175123854.db2.gz GVRCRGGXFWWUQI-GJZGRUSLSA-N 2 2 250.361 2.788 10 0 CFAELP C[NH2+][C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(F)cc1 ZINC000043911083 175123855 /nfs/dbraw/zinc/12/38/55/175123855.db2.gz GVRCRGGXFWWUQI-GJZGRUSLSA-N 2 2 250.361 2.788 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@@H](C(C)C)[N@H+](C)CCOC ZINC000043915908 175124964 /nfs/dbraw/zinc/12/49/64/175124964.db2.gz NSOKAHPSWJVJFX-DLBZAZTESA-N 2 2 278.440 2.940 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@@H](C(C)C)[N@@H+](C)CCOC ZINC000043915908 175124966 /nfs/dbraw/zinc/12/49/66/175124966.db2.gz NSOKAHPSWJVJFX-DLBZAZTESA-N 2 2 278.440 2.940 10 0 CFAELP C[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+]2CCOCC2(C)C)c1 ZINC000043916885 175125770 /nfs/dbraw/zinc/12/57/70/175125770.db2.gz IWNBMXDBOQPKLV-CYBMUJFWSA-N 2 2 292.423 2.586 10 0 CFAELP C[NH2+][C@H](C)c1ccc(OC)c(C[N@H+]2CCOCC2(C)C)c1 ZINC000043916885 175125771 /nfs/dbraw/zinc/12/57/71/175125771.db2.gz IWNBMXDBOQPKLV-CYBMUJFWSA-N 2 2 292.423 2.586 10 0 CFAELP CCC[NH2+][C@H](C[N@H+](C)C[C@@H]1CCCO1)C(C)(C)C ZINC000043966239 175127984 /nfs/dbraw/zinc/12/79/84/175127984.db2.gz WMUWVPHWASDIGZ-UONOGXRCSA-N 2 2 256.434 2.512 10 0 CFAELP CCC[NH2+][C@H](C[N@@H+](C)C[C@@H]1CCCO1)C(C)(C)C ZINC000043966239 175127986 /nfs/dbraw/zinc/12/79/86/175127986.db2.gz WMUWVPHWASDIGZ-UONOGXRCSA-N 2 2 256.434 2.512 10 0 CFAELP CCC[NH2+][C@H](CC)[C@H](C)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966924 175128121 /nfs/dbraw/zinc/12/81/21/175128121.db2.gz KEGBTOSEOQLIAU-SOUVJXGZSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H](CC)[C@H](C)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966924 175128122 /nfs/dbraw/zinc/12/81/22/175128122.db2.gz KEGBTOSEOQLIAU-SOUVJXGZSA-N 2 2 256.434 2.654 10 0 CFAELP CCc1ccc([C@@H]([NH2+]C)[C@@H](C)[N@H+](CC)CCOC)cc1 ZINC000043968580 175129700 /nfs/dbraw/zinc/12/97/00/175129700.db2.gz WOYJQWVBQHXSMJ-PBHICJAKSA-N 2 2 278.440 2.866 10 0 CFAELP CCc1ccc([C@@H]([NH2+]C)[C@@H](C)[N@@H+](CC)CCOC)cc1 ZINC000043968580 175129701 /nfs/dbraw/zinc/12/97/01/175129701.db2.gz WOYJQWVBQHXSMJ-PBHICJAKSA-N 2 2 278.440 2.866 10 0 CFAELP CC[NH2+][C@@H](C[N@H+](C)[C@@H](C)COC)c1ccc(C)cc1 ZINC000043969169 175130152 /nfs/dbraw/zinc/13/01/52/175130152.db2.gz LGTZUQQSOJPAPE-HOCLYGCPSA-N 2 2 264.413 2.612 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+](C)[C@@H](C)COC)c1ccc(C)cc1 ZINC000043969169 175130153 /nfs/dbraw/zinc/13/01/53/175130153.db2.gz LGTZUQQSOJPAPE-HOCLYGCPSA-N 2 2 264.413 2.612 10 0 CFAELP CCC[NH2+][C@@H](C[N@H+](CCOC)C1CC1)C(C)(C)C ZINC000043970092 175130933 /nfs/dbraw/zinc/13/09/33/175130933.db2.gz JDYPQWGJQXYNQX-AWEZNQCLSA-N 2 2 256.434 2.512 10 0 CFAELP CCC[NH2+][C@@H](C[N@@H+](CCOC)C1CC1)C(C)(C)C ZINC000043970092 175130935 /nfs/dbraw/zinc/13/09/35/175130935.db2.gz JDYPQWGJQXYNQX-AWEZNQCLSA-N 2 2 256.434 2.512 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@H](C)[N@H+](CCOC)C1CC1 ZINC000043969878 175130941 /nfs/dbraw/zinc/13/09/41/175130941.db2.gz WPHTWDNBTDKELU-YOEHRIQHSA-N 2 2 276.424 2.837 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@H](C)[N@@H+](CCOC)C1CC1 ZINC000043969878 175130943 /nfs/dbraw/zinc/13/09/43/175130943.db2.gz WPHTWDNBTDKELU-YOEHRIQHSA-N 2 2 276.424 2.837 10 0 CFAELP CCCCC[N@H+](C(C)C)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043971914 175132395 /nfs/dbraw/zinc/13/23/95/175132395.db2.gz VLNPUYTVDPPKEI-JKSUJKDBSA-N 2 2 298.471 2.771 10 0 CFAELP CCCCC[N@@H+](C(C)C)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043971914 175132397 /nfs/dbraw/zinc/13/23/97/175132397.db2.gz VLNPUYTVDPPKEI-JKSUJKDBSA-N 2 2 298.471 2.771 10 0 CFAELP CCC[NH2+][C@H](CC)[C@H](C)[N@@H+]1CCC[C@H](OCC)C1 ZINC000043971787 175132707 /nfs/dbraw/zinc/13/27/07/175132707.db2.gz JREKHZRVGSZMRB-SOUVJXGZSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H](CC)[C@H](C)[N@H+]1CCC[C@H](OCC)C1 ZINC000043971787 175132709 /nfs/dbraw/zinc/13/27/09/175132709.db2.gz JREKHZRVGSZMRB-SOUVJXGZSA-N 2 2 256.434 2.654 10 0 CFAELP CC[NH2+][C@@H]1c2ccc(OC)cc2CC[C@@H]1n1cc[nH+]c1 ZINC000043992529 175135667 /nfs/dbraw/zinc/13/56/67/175135667.db2.gz LALJLWZBEKQDTD-JKSUJKDBSA-N 2 2 271.364 2.730 10 0 CFAELP CC[NH2+][C@@H](Cn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000043992501 175135670 /nfs/dbraw/zinc/13/56/70/175135670.db2.gz FOCPSYIUMRDZET-ZDUSSCGKSA-N 2 2 255.321 2.980 10 0 CFAELP CCOc1ccc([C@@H](C)[NH2+]C)cc1Cn1cc[nH+]c1 ZINC000043992821 175135724 /nfs/dbraw/zinc/13/57/24/175135724.db2.gz COJROKQKBUIJBE-GFCCVEGCSA-N 2 2 259.353 2.611 10 0 CFAELP C[NH2+][C@H](Cn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000043993144 175136204 /nfs/dbraw/zinc/13/62/04/175136204.db2.gz DHGCKDHZEHIZMG-MRXNPFEDSA-N 2 2 251.333 2.997 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@@H]1n1c(C)[nH+]c2ccccc21 ZINC000043996034 175137064 /nfs/dbraw/zinc/13/70/64/175137064.db2.gz MIELMQHJSHUYFF-BBRMVZONSA-N 2 2 273.380 2.674 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000044557622 175202763 /nfs/dbraw/zinc/20/27/63/175202763.db2.gz AAGFVSDJXJJUET-ZDUSSCGKSA-N 2 2 268.788 2.532 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@H+]1CCOc1ccc(Cl)cc1 ZINC000044557622 175202764 /nfs/dbraw/zinc/20/27/64/175202764.db2.gz AAGFVSDJXJJUET-ZDUSSCGKSA-N 2 2 268.788 2.532 10 0 CFAELP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000044561423 175205215 /nfs/dbraw/zinc/20/52/15/175205215.db2.gz BIFWVTZINFCUOP-WBVHZDCISA-N 3 2 281.488 2.571 10 0 CFAELP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000044561423 175205216 /nfs/dbraw/zinc/20/52/16/175205216.db2.gz BIFWVTZINFCUOP-WBVHZDCISA-N 3 2 281.488 2.571 10 0 CFAELP CC(C)c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000044562343 175205809 /nfs/dbraw/zinc/20/58/09/175205809.db2.gz OPZJBAZXSCWSES-ROUUACIJSA-N 2 2 290.451 2.917 10 0 CFAELP CC(C)c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2C)cc1 ZINC000044562343 175205810 /nfs/dbraw/zinc/20/58/10/175205810.db2.gz OPZJBAZXSCWSES-ROUUACIJSA-N 2 2 290.451 2.917 10 0 CFAELP [NH3+][C@@H](C[NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000044675857 175227150 /nfs/dbraw/zinc/22/71/50/175227150.db2.gz BWWLBHLCIQWMFK-IXDOHACOSA-N 2 2 252.361 2.832 10 0 CFAELP c1ccc(N2CCCC2)c(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044686354 175231949 /nfs/dbraw/zinc/23/19/49/175231949.db2.gz YUJADLSSCOQISW-MRXNPFEDSA-N 2 2 285.435 2.613 10 0 CFAELP c1ccc(N2CCCC2)c(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044686354 175231950 /nfs/dbraw/zinc/23/19/50/175231950.db2.gz YUJADLSSCOQISW-MRXNPFEDSA-N 2 2 285.435 2.613 10 0 CFAELP Cc1cc(C[NH2+]C2[C@@H]3CCC[C@H]2C[N@@H+](C(C)C)C3)no1 ZINC000044693329 175234330 /nfs/dbraw/zinc/23/43/30/175234330.db2.gz RKLYLFQWWCNOBY-MZBDJJRSSA-N 2 2 277.412 2.582 10 0 CFAELP Cc1cc(C[NH2+]C2[C@@H]3CCC[C@H]2C[N@H+](C(C)C)C3)no1 ZINC000044693329 175234331 /nfs/dbraw/zinc/23/43/31/175234331.db2.gz RKLYLFQWWCNOBY-MZBDJJRSSA-N 2 2 277.412 2.582 10 0 CFAELP Oc1ccc2c(c1)CCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000044746990 175242512 /nfs/dbraw/zinc/24/25/12/175242512.db2.gz GQTAXBFPASIWPS-MRXNPFEDSA-N 2 2 271.364 2.646 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc(F)cc1Cl ZINC000045134614 175312307 /nfs/dbraw/zinc/31/23/07/175312307.db2.gz ZUPNQKPFGQLPDH-UHFFFAOYSA-N 2 2 267.735 2.545 10 0 CFAELP CCn1nc(C)c(-c2c[nH]c(CCCCC[NH3+])[nH+]2)c1C ZINC000045169359 175319933 /nfs/dbraw/zinc/31/99/33/175319933.db2.gz IJYQZQREIJVSJP-UHFFFAOYSA-N 2 2 275.400 2.581 10 0 CFAELP CCCC[N@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045368287 175363162 /nfs/dbraw/zinc/36/31/62/175363162.db2.gz MSHWHQHLFICCHN-KRWDZBQOSA-N 2 2 298.471 2.962 10 0 CFAELP CCCC[N@@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045368287 175363163 /nfs/dbraw/zinc/36/31/63/175363163.db2.gz MSHWHQHLFICCHN-KRWDZBQOSA-N 2 2 298.471 2.962 10 0 CFAELP COC(=O)[C@@](C)(CCC[NH+]1CCCCCCC1)[NH2+]C(C)C ZINC000045371644 175364200 /nfs/dbraw/zinc/36/42/00/175364200.db2.gz IHXGEORLHKKQIJ-QGZVFWFLSA-N 2 2 298.471 2.962 10 0 CFAELP COC(=O)[C@@](C)(CCC[NH+]1CCCCCCC1)[NH2+]C1CC1 ZINC000045371659 175364328 /nfs/dbraw/zinc/36/43/28/175364328.db2.gz BWQLRRFRROHWQE-QGZVFWFLSA-N 2 2 296.455 2.716 10 0 CFAELP C[NH2+][C@](C)(CCCC[NH+]1CCCCCCC1)C(=O)OC ZINC000045371414 175364570 /nfs/dbraw/zinc/36/45/70/175364570.db2.gz RXGKXBUZQKVTRB-MRXNPFEDSA-N 2 2 284.444 2.574 10 0 CFAELP CCC[NH2+][C@](C)(CCC[NH+]1CCC(C)CC1)C(=O)OCC ZINC000045374996 175365976 /nfs/dbraw/zinc/36/59/76/175365976.db2.gz KLGPHSUQPTVHBH-QGZVFWFLSA-N 2 2 298.471 2.820 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@@H+]1CCCC[C@@H]1C)[NH2+]C1CC1 ZINC000045376180 175366346 /nfs/dbraw/zinc/36/63/46/175366346.db2.gz CSBWUJNNMHBKMI-YOEHRIQHSA-N 2 2 296.455 2.715 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@H+]1CCCC[C@@H]1C)[NH2+]C1CC1 ZINC000045376180 175366347 /nfs/dbraw/zinc/36/63/47/175366347.db2.gz CSBWUJNNMHBKMI-YOEHRIQHSA-N 2 2 296.455 2.715 10 0 CFAELP CC[NH2+][C@@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379716 175369161 /nfs/dbraw/zinc/36/91/61/175369161.db2.gz LAXVJLZBYCIKTQ-DZKIICNBSA-N 2 2 284.444 2.571 10 0 CFAELP CCC[N@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045382249 175370779 /nfs/dbraw/zinc/37/07/79/175370779.db2.gz PUUGVHKDZREOPB-INIZCTEOSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[N@@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045382249 175370781 /nfs/dbraw/zinc/37/07/81/175370781.db2.gz PUUGVHKDZREOPB-INIZCTEOSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@@H+]1CCCC[C@@H]1CC)[NH2+]C ZINC000045384280 175371107 /nfs/dbraw/zinc/37/11/07/175371107.db2.gz REZVGGKYQAUXIA-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@H+]1CCCC[C@@H]1CC)[NH2+]C ZINC000045384280 175371108 /nfs/dbraw/zinc/37/11/08/175371108.db2.gz REZVGGKYQAUXIA-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@H+](CC)[C@@H](C)CC)[NH2+]C1CC1 ZINC000045385568 175371727 /nfs/dbraw/zinc/37/17/27/175371727.db2.gz QQBLYOVBRRWSOJ-YOEHRIQHSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@@H+](CC)[C@@H](C)CC)[NH2+]C1CC1 ZINC000045385568 175371728 /nfs/dbraw/zinc/37/17/28/175371728.db2.gz QQBLYOVBRRWSOJ-YOEHRIQHSA-N 2 2 298.471 2.961 10 0 CFAELP CC(C)c1nccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000072143702 176324433 /nfs/dbraw/zinc/32/44/33/176324433.db2.gz NIBRSPFIZKADBJ-HNNXBMFYSA-N 2 2 276.428 2.516 10 0 CFAELP CC(C)c1nccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000072143702 176324435 /nfs/dbraw/zinc/32/44/35/176324435.db2.gz NIBRSPFIZKADBJ-HNNXBMFYSA-N 2 2 276.428 2.516 10 0 CFAELP COc1ccc(Cl)cc1C[N@H+](CC[NH3+])C(C)(C)C ZINC000076710794 177067813 /nfs/dbraw/zinc/06/78/13/177067813.db2.gz FILZYQJQYOWVKY-UHFFFAOYSA-N 2 2 270.804 2.908 10 0 CFAELP COc1ccc(Cl)cc1C[N@@H+](CC[NH3+])C(C)(C)C ZINC000076710794 177067814 /nfs/dbraw/zinc/06/78/14/177067814.db2.gz FILZYQJQYOWVKY-UHFFFAOYSA-N 2 2 270.804 2.908 10 0 CFAELP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1F ZINC000396572316 270315149 /nfs/dbraw/zinc/31/51/49/270315149.db2.gz YNXLAUODEQMPMN-MJVIPROJSA-N 2 2 266.360 2.625 10 0 CFAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1Cc2ccccc2C1 ZINC000037167319 278974528 /nfs/dbraw/zinc/97/45/28/278974528.db2.gz PJSKDJBZUIHUFG-KRWDZBQOSA-N 2 2 260.425 2.720 10 0 CFAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000343137717 288092210 /nfs/dbraw/zinc/09/22/10/288092210.db2.gz AFHLSWIOOZFYBX-KKOKHZNYSA-N 2 2 264.335 2.647 10 0 CFAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000343137717 288092211 /nfs/dbraw/zinc/09/22/11/288092211.db2.gz AFHLSWIOOZFYBX-KKOKHZNYSA-N 2 2 264.335 2.647 10 0 CFAELP C[C@@]([NH3+])(C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000035619397 279149782 /nfs/dbraw/zinc/14/97/82/279149782.db2.gz VYEDDZVAKXCQTH-GOSISDBHSA-N 2 2 266.388 2.919 10 0 CFAELP C[C@@]([NH3+])(C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000035619397 279149785 /nfs/dbraw/zinc/14/97/85/279149785.db2.gz VYEDDZVAKXCQTH-GOSISDBHSA-N 2 2 266.388 2.919 10 0 CFAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccc(F)c(F)c1 ZINC000396683293 281196931 /nfs/dbraw/zinc/19/69/31/281196931.db2.gz WFYQSGYJQQUGCZ-RBZYPMLTSA-N 2 2 254.324 2.756 10 0 CFAELP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)s1 ZINC000396703821 281197113 /nfs/dbraw/zinc/19/71/13/281197113.db2.gz IACDMELCQDSXPZ-PEXQALLHSA-N 2 2 253.415 2.551 10 0 CFAELP Cc1nc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cs1 ZINC000262029331 293371245 /nfs/dbraw/zinc/37/12/45/293371245.db2.gz WZIGNNHZBXZANB-JSGCOSHPSA-N 2 2 265.426 2.588 10 0 CFAELP Cc1nc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cs1 ZINC000262029331 293371248 /nfs/dbraw/zinc/37/12/48/293371248.db2.gz WZIGNNHZBXZANB-JSGCOSHPSA-N 2 2 265.426 2.588 10 0 CFAELP [NH3+]C1CCC([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000094074709 303361834 /nfs/dbraw/zinc/36/18/34/303361834.db2.gz WSVYEUWRLZAOIM-ABHNRTSZSA-N 3 2 287.451 2.683 10 0 CFAELP C[C@H]([NH2+][C@H]1CCOc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000385919422 324470952 /nfs/dbraw/zinc/47/09/52/324470952.db2.gz AAAGAGKSIMEBNU-CFVMTHIKSA-N 2 2 260.381 2.630 10 0 CFAELP CC(C)[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccccc1F ZINC000052541381 519722894 /nfs/dbraw/zinc/72/28/94/519722894.db2.gz FFQVFWQHCOSIMF-CYBMUJFWSA-N 2 2 252.377 2.892 10 0 CFAELP CC(C)[NH2+]C[C@@H](C)C[N@@H+](C)Cc1ccccc1F ZINC000052541381 519722895 /nfs/dbraw/zinc/72/28/95/519722895.db2.gz FFQVFWQHCOSIMF-CYBMUJFWSA-N 2 2 252.377 2.892 10 0 CFAELP CC(C)C[NH2+]C[C@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC000052346117 519745732 /nfs/dbraw/zinc/74/57/32/519745732.db2.gz LZUYUUSRKDBKEZ-ZDUSSCGKSA-N 2 2 252.377 2.892 10 0 CFAELP CC(C)C[NH2+]C[C@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346117 519745734 /nfs/dbraw/zinc/74/57/34/519745734.db2.gz LZUYUUSRKDBKEZ-ZDUSSCGKSA-N 2 2 252.377 2.892 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000049198684 519793989 /nfs/dbraw/zinc/79/39/89/519793989.db2.gz KIIYDPKZSNBJQV-DLBZAZTESA-N 2 2 260.425 2.720 10 0 CFAELP CC[N@H+](Cc1cc(C)ccc1OC)[C@@](C)(CC)C[NH3+] ZINC000050702874 521289339 /nfs/dbraw/zinc/28/93/39/521289339.db2.gz JQTXNNPGLZPKEY-INIZCTEOSA-N 2 2 264.413 2.953 10 0 CFAELP CC[N@@H+](Cc1cc(C)ccc1OC)[C@@](C)(CC)C[NH3+] ZINC000050702874 521289343 /nfs/dbraw/zinc/28/93/43/521289343.db2.gz JQTXNNPGLZPKEY-INIZCTEOSA-N 2 2 264.413 2.953 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)cc1OC ZINC000069429816 521309285 /nfs/dbraw/zinc/30/92/85/521309285.db2.gz KCSSUHCVTJQBAU-AWEZNQCLSA-N 2 2 280.412 2.824 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)cc1OC ZINC000069429816 521309287 /nfs/dbraw/zinc/30/92/87/521309287.db2.gz KCSSUHCVTJQBAU-AWEZNQCLSA-N 2 2 280.412 2.824 10 0 CFAELP CC(C)(C)c1ccc(Cn2cc[nH+]c2CC[NH3+])cc1 ZINC000052304099 519033720 /nfs/dbraw/zinc/03/37/20/519033720.db2.gz BLXUVQJCLZBWPG-UHFFFAOYSA-N 2 2 257.381 2.730 10 0 CFAELP CC(C)[NH2+]C[C@H](C)C[N@H+](C)Cc1ccccc1F ZINC000052541382 519724477 /nfs/dbraw/zinc/72/44/77/519724477.db2.gz FFQVFWQHCOSIMF-ZDUSSCGKSA-N 2 2 252.377 2.892 10 0 CFAELP CC(C)[NH2+]C[C@H](C)C[N@@H+](C)Cc1ccccc1F ZINC000052541382 519724479 /nfs/dbraw/zinc/72/44/79/519724479.db2.gz FFQVFWQHCOSIMF-ZDUSSCGKSA-N 2 2 252.377 2.892 10 0 CFAELP CC(C)[NH2+]Cc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000052419902 519726587 /nfs/dbraw/zinc/72/65/87/519726587.db2.gz VHFSIXPKAUPBEG-UHFFFAOYSA-N 3 2 289.467 2.711 10 0 CFAELP CC(C)[NH2+]Cc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000052419902 519726589 /nfs/dbraw/zinc/72/65/89/519726589.db2.gz VHFSIXPKAUPBEG-UHFFFAOYSA-N 3 2 289.467 2.711 10 0 CFAELP CC(C)[NH2+]Cc1nc(C[NH+]2CCCCC2)cs1 ZINC000052421129 519729299 /nfs/dbraw/zinc/72/92/99/519729299.db2.gz MBHACDDPRBYCCG-UHFFFAOYSA-N 2 2 253.415 2.627 10 0 CFAELP CC(C)C[NH2+]C[C@@H](C(C)C)[N@H+](C)CCc1ccccn1 ZINC000052423739 519744358 /nfs/dbraw/zinc/74/43/58/519744358.db2.gz IOHMARRECVICPV-KRWDZBQOSA-N 2 2 277.456 2.826 10 0 CFAELP CC(C)C[NH2+]C[C@@H](C(C)C)[N@@H+](C)CCc1ccccn1 ZINC000052423739 519744359 /nfs/dbraw/zinc/74/43/59/519744359.db2.gz IOHMARRECVICPV-KRWDZBQOSA-N 2 2 277.456 2.826 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000049197721 519793611 /nfs/dbraw/zinc/79/36/11/519793611.db2.gz NFVGHHNULDXYJA-OBYDGYHJSA-N 2 2 264.457 2.987 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000049195575 519793934 /nfs/dbraw/zinc/79/39/34/519793934.db2.gz TWGJDGOKERVTBC-SWLSCSKDSA-N 2 2 250.386 2.629 10 0 CFAELP CC(C)[C@@H](C[NH2+]C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417258 519794860 /nfs/dbraw/zinc/79/48/60/519794860.db2.gz JETTWJLWTYUIJH-GOSISDBHSA-N 2 2 287.451 2.585 10 0 CFAELP CCC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000053012375 519922559 /nfs/dbraw/zinc/92/25/59/519922559.db2.gz BQJRWXDILFHTJL-ZDUSSCGKSA-N 2 2 250.361 2.647 10 0 CFAELP CCC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000053012375 519922563 /nfs/dbraw/zinc/92/25/63/519922563.db2.gz BQJRWXDILFHTJL-ZDUSSCGKSA-N 2 2 250.361 2.647 10 0 CFAELP CC[NH2+]C[C@@H](C(C)C)[N@H+](Cc1ccco1)C1CC1 ZINC000052370776 519929966 /nfs/dbraw/zinc/92/99/66/519929966.db2.gz NHZKSCXZDKOYIE-HNNXBMFYSA-N 2 2 250.386 2.878 10 0 CFAELP CC[NH2+]C[C@@H](C(C)C)[N@@H+](Cc1ccco1)C1CC1 ZINC000052370776 519929976 /nfs/dbraw/zinc/92/99/76/519929976.db2.gz NHZKSCXZDKOYIE-HNNXBMFYSA-N 2 2 250.386 2.878 10 0 CFAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000049183917 520022334 /nfs/dbraw/zinc/02/23/34/520022334.db2.gz WBTZCOPLYMPYAR-GXTWGEPZSA-N 2 2 252.427 2.753 10 0 CFAELP CCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000049183917 520022340 /nfs/dbraw/zinc/02/23/40/520022340.db2.gz WBTZCOPLYMPYAR-GXTWGEPZSA-N 2 2 252.427 2.753 10 0 CFAELP CC[NH2+][C@H]1CCN(c2ccc([NH+](C)C)cc2)C[C@@H]1C ZINC000049711472 520217768 /nfs/dbraw/zinc/21/77/68/520217768.db2.gz UGSMZNKIZQYYTK-BBRMVZONSA-N 2 2 261.413 2.577 10 0 CFAELP CCCC[N@H+](CC[NH3+])Cc1cc(C)ccc1OC ZINC000050705056 520507162 /nfs/dbraw/zinc/50/71/62/520507162.db2.gz MKPFXGOIKKCCRN-UHFFFAOYSA-N 2 2 250.386 2.564 10 0 CFAELP CCCC[N@@H+](CC[NH3+])Cc1cc(C)ccc1OC ZINC000050705056 520507172 /nfs/dbraw/zinc/50/71/72/520507172.db2.gz MKPFXGOIKKCCRN-UHFFFAOYSA-N 2 2 250.386 2.564 10 0 CFAELP CCOc1ccc([C@H](C[NH3+])[N@H+](CC)CC2CC2)cc1 ZINC000069237570 521262562 /nfs/dbraw/zinc/26/25/62/521262562.db2.gz JXHOODOZOFMSER-INIZCTEOSA-N 2 2 262.397 2.817 10 0 CFAELP CCOc1ccc([C@H](C[NH3+])[N@@H+](CC)CC2CC2)cc1 ZINC000069237570 521262569 /nfs/dbraw/zinc/26/25/69/521262569.db2.gz JXHOODOZOFMSER-INIZCTEOSA-N 2 2 262.397 2.817 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000069430162 521308178 /nfs/dbraw/zinc/30/81/78/521308178.db2.gz JWEARXSSPRNWPV-AWEZNQCLSA-N 2 2 292.423 2.968 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000069430162 521308187 /nfs/dbraw/zinc/30/81/87/521308187.db2.gz JWEARXSSPRNWPV-AWEZNQCLSA-N 2 2 292.423 2.968 10 0 CFAELP CC[N@@H+]1CCC[C@@H](n2c(C)c(C)c3c2nc(C)[nH+]c3N)C1 ZINC000049223875 521627475 /nfs/dbraw/zinc/62/74/75/521627475.db2.gz NUVHXCARLPLXBZ-CYBMUJFWSA-N 2 2 287.411 2.596 10 0 CFAELP CC[N@H+]1CCC[C@@H](n2c(C)c(C)c3c2nc(C)[nH+]c3N)C1 ZINC000049223875 521627479 /nfs/dbraw/zinc/62/74/79/521627479.db2.gz NUVHXCARLPLXBZ-CYBMUJFWSA-N 2 2 287.411 2.596 10 0 CFAELP COc1c(C)c[nH+]c(C[C@H](C(C)C)[C@@H](C)[NH3+])c1C ZINC000061686266 521814812 /nfs/dbraw/zinc/81/48/12/521814812.db2.gz JBDPUJFORRRPOT-CHWSQXEVSA-N 2 2 250.386 2.869 10 0 CFAELP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000246408384 521821222 /nfs/dbraw/zinc/82/12/22/521821222.db2.gz MHBYAJYNFHUXME-BFHYXJOUSA-N 2 2 291.443 2.511 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@H+](C)CCc1ccncc1 ZINC000052203606 521929481 /nfs/dbraw/zinc/92/94/81/521929481.db2.gz QKCJTXNCJZIZAH-GOSISDBHSA-N 2 2 283.419 2.818 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@@H+](C)CCc1ccncc1 ZINC000052203606 521929490 /nfs/dbraw/zinc/92/94/90/521929490.db2.gz QKCJTXNCJZIZAH-GOSISDBHSA-N 2 2 283.419 2.818 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052203841 521954402 /nfs/dbraw/zinc/95/44/02/521954402.db2.gz YHFFSVGTGMHTFF-KSSFIOAISA-N 2 2 290.451 2.996 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000052203841 521954409 /nfs/dbraw/zinc/95/44/09/521954409.db2.gz YHFFSVGTGMHTFF-KSSFIOAISA-N 2 2 290.451 2.996 10 0 CFAELP CC[C@@H](C)C[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596606 521975274 /nfs/dbraw/zinc/97/52/74/521975274.db2.gz HPHTZFAAUXAGJZ-DOMZBBRYSA-N 2 2 264.413 2.981 10 0 CFAELP CC[C@@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596606 521975278 /nfs/dbraw/zinc/97/52/78/521975278.db2.gz HPHTZFAAUXAGJZ-DOMZBBRYSA-N 2 2 264.413 2.981 10 0 CFAELP C[NH2+]Cc1nc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)cs1 ZINC000052482174 522151480 /nfs/dbraw/zinc/15/14/80/522151480.db2.gz NIJXSUBMCBUFOP-QWHCGFSZSA-N 2 2 279.453 2.875 10 0 CFAELP C[NH2+]Cc1nc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)cs1 ZINC000052482174 522151487 /nfs/dbraw/zinc/15/14/87/522151487.db2.gz NIJXSUBMCBUFOP-QWHCGFSZSA-N 2 2 279.453 2.875 10 0 CFAELP CC[C@H](C[NH2+]CC(C)C)[N@H+](CC)Cc1ccncc1 ZINC000052514886 522194147 /nfs/dbraw/zinc/19/41/47/522194147.db2.gz ICINVWPCJUUEER-MRXNPFEDSA-N 2 2 263.429 2.928 10 0 CFAELP CC[C@H](C[NH2+]CC(C)C)[N@@H+](CC)Cc1ccncc1 ZINC000052514886 522194151 /nfs/dbraw/zinc/19/41/51/522194151.db2.gz ICINVWPCJUUEER-MRXNPFEDSA-N 2 2 263.429 2.928 10 0 CFAELP COC1CC[NH+]([C@@H](C[NH2+]C2CC2)c2ccccc2)CC1 ZINC000052455496 522707558 /nfs/dbraw/zinc/70/75/58/522707558.db2.gz VCZGHMQTJJPUFC-KRWDZBQOSA-N 2 2 274.408 2.591 10 0 CFAELP CC[C@@H]1COCC[N@@H+]1C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557057 523496865 /nfs/dbraw/zinc/49/68/65/523496865.db2.gz WNYJVMUKKJHQEP-HWOWSKLDSA-N 2 2 268.445 2.641 10 0 CFAELP CC[C@@H]1COCC[N@H+]1C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557057 523496874 /nfs/dbraw/zinc/49/68/74/523496874.db2.gz WNYJVMUKKJHQEP-HWOWSKLDSA-N 2 2 268.445 2.641 10 0 CFAELP CCc1ccc(Cn2cc[nH+]c2C[C@@H]([NH3+])CC)s1 ZINC000062803072 523955479 /nfs/dbraw/zinc/95/54/79/523955479.db2.gz KYILSDXOLOWUFN-NSHDSACASA-N 2 2 263.410 2.835 10 0 CFAELP C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@]1(C[NH3+])CCCSC1 ZINC000061590239 524131158 /nfs/dbraw/zinc/13/11/58/524131158.db2.gz LSKZYMIWMUVQRO-RDBSUJKOSA-N 2 2 256.459 2.721 10 0 CFAELP C[C@@H]1CCCC[C@@H]1[N@@H+](C)[C@]1(C[NH3+])CCCSC1 ZINC000061590239 524131164 /nfs/dbraw/zinc/13/11/64/524131164.db2.gz LSKZYMIWMUVQRO-RDBSUJKOSA-N 2 2 256.459 2.721 10 0 CFAELP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000049553096 524168670 /nfs/dbraw/zinc/16/86/70/524168670.db2.gz FONYXNMHIUYTNF-GHMZBOCLSA-N 2 2 256.340 2.956 10 0 CFAELP C[C@H](C[NH+]1CCCC1)[NH2+]CCCOc1ccccc1 ZINC000061815731 524317309 /nfs/dbraw/zinc/31/73/09/524317309.db2.gz CWZFPAASPGUMEH-OAHLLOKOSA-N 2 2 262.397 2.529 10 0 CFAELP Cc1ccc(C[N@@H+](C)[C@@]2(C[NH3+])CCCSC2)cc1 ZINC000061589970 524401564 /nfs/dbraw/zinc/40/15/64/524401564.db2.gz CDDPKJJEMYRWFQ-OAHLLOKOSA-N 2 2 264.438 2.651 10 0 CFAELP Cc1ccc(C[N@H+](C)[C@@]2(C[NH3+])CCCSC2)cc1 ZINC000061589970 524401573 /nfs/dbraw/zinc/40/15/73/524401573.db2.gz CDDPKJJEMYRWFQ-OAHLLOKOSA-N 2 2 264.438 2.651 10 0 CFAELP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000049553093 524476918 /nfs/dbraw/zinc/47/69/18/524476918.db2.gz FONYXNMHIUYTNF-QWRGUYRKSA-N 2 2 256.340 2.956 10 0 CFAELP C[C@@H](C[NH+]1CCCC1)[NH2+]CCCOc1ccccc1 ZINC000061815730 524593622 /nfs/dbraw/zinc/59/36/22/524593622.db2.gz CWZFPAASPGUMEH-HNNXBMFYSA-N 2 2 262.397 2.529 10 0 CFAELP C[C@@H](C[NH+]1CCCCC1)[NH2+]CC1(O)CCCCCC1 ZINC000049501191 524606027 /nfs/dbraw/zinc/60/60/27/524606027.db2.gz RHCUYTAIUWPZEW-HNNXBMFYSA-N 2 2 268.445 2.536 10 0 CFAELP C[C@H]1C[NH2+]C[C@H](C)C[NH+](Cc2ccc(F)cc2F)C1 ZINC000051017773 524695866 /nfs/dbraw/zinc/69/58/66/524695866.db2.gz DUIFGGYSNNZMRG-RYUDHWBXSA-N 2 2 268.351 2.642 10 0 CFAELP C[C@@H](C[NH2+]C1CC1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052346286 524736763 /nfs/dbraw/zinc/73/67/63/524736763.db2.gz VCCSFLPYBZEESO-NSHDSACASA-N 2 2 252.789 2.912 10 0 CFAELP C[C@@H](C[NH2+]C1CC1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000052346286 524736773 /nfs/dbraw/zinc/73/67/73/524736773.db2.gz VCCSFLPYBZEESO-NSHDSACASA-N 2 2 252.789 2.912 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2ccoc2C[NH2+]C(C)(C)C)C[C@H](C)O1 ZINC000052380914 525024541 /nfs/dbraw/zinc/02/45/41/525024541.db2.gz NANWGFIAXIDXEZ-BETUJISGSA-N 2 2 280.412 2.777 10 0 CFAELP C[C@@H]1C[N@H+](Cc2ccoc2C[NH2+]C(C)(C)C)C[C@H](C)O1 ZINC000052380914 525024543 /nfs/dbraw/zinc/02/45/43/525024543.db2.gz NANWGFIAXIDXEZ-BETUJISGSA-N 2 2 280.412 2.777 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[NH+]2CCC(C)CC2)cc1C ZINC000050596391 525179990 /nfs/dbraw/zinc/17/99/90/525179990.db2.gz RUJHEZHQCRUWPR-OAHLLOKOSA-N 2 2 262.397 2.735 10 0 CFAELP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000223044935 525202627 /nfs/dbraw/zinc/20/26/27/525202627.db2.gz WEAOJGVTLIFPCG-RDJZCZTQSA-N 2 2 274.408 2.830 10 0 CFAELP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000223044935 525202639 /nfs/dbraw/zinc/20/26/39/525202639.db2.gz WEAOJGVTLIFPCG-RDJZCZTQSA-N 2 2 274.408 2.830 10 0 CFAELP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(F)c(F)c1 ZINC000070143127 525477820 /nfs/dbraw/zinc/47/78/20/525477820.db2.gz VGAHEGJLHSUTGD-JTQLQIEISA-N 2 2 294.349 2.615 10 0 CFAELP C[C@@H]1[C@@H](C)CCC[N@@H+]1[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000050563779 525641925 /nfs/dbraw/zinc/64/19/25/525641925.db2.gz IWFCZAYQXVQQNZ-ZENOOKHLSA-N 2 2 274.408 2.742 10 0 CFAELP C[C@@H]1[C@@H](C)CCC[N@H+]1[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000050563779 525641930 /nfs/dbraw/zinc/64/19/30/525641930.db2.gz IWFCZAYQXVQQNZ-ZENOOKHLSA-N 2 2 274.408 2.742 10 0 CFAELP C[C@@H]1c2ccsc2CC[N@H+]1Cc1csc(C[NH3+])n1 ZINC000052505456 525736535 /nfs/dbraw/zinc/73/65/35/525736535.db2.gz OEMFZWCMQJEFMG-SECBINFHSA-N 2 2 279.434 2.783 10 0 CFAELP C[C@@H]1c2ccsc2CC[N@@H+]1Cc1csc(C[NH3+])n1 ZINC000052505456 525736542 /nfs/dbraw/zinc/73/65/42/525736542.db2.gz OEMFZWCMQJEFMG-SECBINFHSA-N 2 2 279.434 2.783 10 0 CFAELP COc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1F ZINC000192973364 525941895 /nfs/dbraw/zinc/94/18/95/525941895.db2.gz OENHZZKKOWYGDW-AWEZNQCLSA-N 2 2 289.354 2.695 10 0 CFAELP COc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1F ZINC000192973364 525941905 /nfs/dbraw/zinc/94/19/05/525941905.db2.gz OENHZZKKOWYGDW-AWEZNQCLSA-N 2 2 289.354 2.695 10 0 CFAELP [NH3+]C[C@H](Cc1ccccc1)[NH+]1Cc2ccccc2C1 ZINC000050910625 527224742 /nfs/dbraw/zinc/22/47/42/527224742.db2.gz OTANDNOSQYNOGZ-KRWDZBQOSA-N 2 2 252.361 2.572 10 0 CFAELP CC[N@@H+]1CCO[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000311463369 545516375 /nfs/dbraw/zinc/51/63/75/545516375.db2.gz MNARFTJLRYGXEX-HNNXBMFYSA-N 2 2 268.445 2.513 10 0 CFAELP CC[N@H+]1CCO[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000311463369 545516381 /nfs/dbraw/zinc/51/63/81/545516381.db2.gz MNARFTJLRYGXEX-HNNXBMFYSA-N 2 2 268.445 2.513 10 0 CFAELP Cc1ccc([C@H]2C[C@@H]([NH3+])CC[N@H+]2C)cc1Br ZINC000675052554 545529455 /nfs/dbraw/zinc/52/94/55/545529455.db2.gz BFAFWFNPQFSRFV-WCQYABFASA-N 2 2 283.213 2.852 10 0 CFAELP Cc1ccc([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)cc1Br ZINC000675052554 545529457 /nfs/dbraw/zinc/52/94/57/545529457.db2.gz BFAFWFNPQFSRFV-WCQYABFASA-N 2 2 283.213 2.852 10 0 CFAELP CC[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000394602884 574359714 /nfs/dbraw/zinc/35/97/14/574359714.db2.gz GIRHKZXNPKEUOS-BZUAXINKSA-N 2 2 268.445 2.513 10 0 CFAELP CC[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000394602884 574359718 /nfs/dbraw/zinc/35/97/18/574359718.db2.gz GIRHKZXNPKEUOS-BZUAXINKSA-N 2 2 268.445 2.513 10 0 CFAELP C[Si](C)(C)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171736061 619067793 /nfs/dbraw/zinc/06/77/93/619067793.db2.gz JQFLPMJIZYJWIZ-ZDUSSCGKSA-N 2 2 263.461 2.693 10 0 CFAELP C[Si](C)(C)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171736061 619067796 /nfs/dbraw/zinc/06/77/96/619067796.db2.gz JQFLPMJIZYJWIZ-ZDUSSCGKSA-N 2 2 263.461 2.693 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cncc2ccccc21 ZINC000165069095 622979160 /nfs/dbraw/zinc/97/91/60/622979160.db2.gz VLJIHQNKPLQVQO-OAHLLOKOSA-N 2 2 255.365 2.548 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cncc2ccccc21 ZINC000165069095 622979162 /nfs/dbraw/zinc/97/91/62/622979162.db2.gz VLJIHQNKPLQVQO-OAHLLOKOSA-N 2 2 255.365 2.548 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3F)C[C@H]12 ZINC000261557688 625076459 /nfs/dbraw/zinc/07/64/59/625076459.db2.gz CUCIQCVBDPKKHG-LJWDBELGSA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3F)C[C@H]12 ZINC000261557688 625076467 /nfs/dbraw/zinc/07/64/67/625076467.db2.gz CUCIQCVBDPKKHG-LJWDBELGSA-N 2 2 268.763 2.648 10 0 CFAELP CCC[NH2+]Cc1sc(C[NH+](C)C)nc1C1CC1 ZINC000082436939 178014709 /nfs/dbraw/zinc/01/47/09/178014709.db2.gz GDBRIALSEGEYGQ-UHFFFAOYSA-N 2 2 253.415 2.582 10 0 CFAELP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cc(F)ccc1F ZINC000070143077 539486533 /nfs/dbraw/zinc/48/65/33/539486533.db2.gz DYZZZGBZXVABMO-JTQLQIEISA-N 2 2 294.349 2.615 10 0 CFAELP COCc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000188407645 539509207 /nfs/dbraw/zinc/50/92/07/539509207.db2.gz QEGWRHWXEBEVKK-KRWDZBQOSA-N 2 2 285.391 2.694 10 0 CFAELP COCc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000188407645 539509208 /nfs/dbraw/zinc/50/92/08/539509208.db2.gz QEGWRHWXEBEVKK-KRWDZBQOSA-N 2 2 285.391 2.694 10 0 CFAELP C[NH2+]C[C@@H]1CCCN(c2[nH+]c3ccccc3cc2C)C1 ZINC000063106308 346696247 /nfs/dbraw/zinc/69/62/47/346696247.db2.gz BTVHRRUPDCWQAC-AWEZNQCLSA-N 2 2 269.392 2.979 10 0 CFAELP c1ccc(CC[N@H+]2CC=C([NH+]3CCCC3)CC2)cc1 ZINC000101451517 347715095 /nfs/dbraw/zinc/71/50/95/347715095.db2.gz LXBMEUUUXYQRQP-UHFFFAOYSA-N 2 2 256.393 2.915 10 0 CFAELP c1ccc(CC[N@@H+]2CC=C([NH+]3CCCC3)CC2)cc1 ZINC000101451517 347715100 /nfs/dbraw/zinc/71/51/00/347715100.db2.gz LXBMEUUUXYQRQP-UHFFFAOYSA-N 2 2 256.393 2.915 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@](C)(C[NH3+])C1 ZINC000235874514 348230479 /nfs/dbraw/zinc/23/04/79/348230479.db2.gz KIUJQVJZKIRWDA-MRXNPFEDSA-N 2 2 255.365 2.718 10 0 CFAELP C[NH+](C)C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000307199125 348397189 /nfs/dbraw/zinc/39/71/89/348397189.db2.gz WTUYKFYFIVLVLN-LJQANCHMSA-N 2 2 298.430 2.611 10 0 CFAELP [NH3+]C[C@]12CCC[C@H]1CN(c1[nH+]ccc3ccccc31)C2 ZINC000380724691 348524958 /nfs/dbraw/zinc/52/49/58/348524958.db2.gz JWXYLOCDEVMROA-YOEHRIQHSA-N 2 2 267.376 2.800 10 0 CFAELP COCCn1c[nH+]cc1-c1ccccc1[C@@H]1CCC[NH2+]1 ZINC000584617327 348691496 /nfs/dbraw/zinc/69/14/96/348691496.db2.gz PLVAWVZYTSHFIK-HNNXBMFYSA-N 2 2 271.364 2.621 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2c(C)noc2C)C1 ZINC000105896385 186086449 /nfs/dbraw/zinc/08/64/49/186086449.db2.gz OZKZUUITSTZNPI-CQSZACIVSA-N 2 2 288.395 2.887 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2c(C)noc2C)C1 ZINC000105896385 186086450 /nfs/dbraw/zinc/08/64/50/186086450.db2.gz OZKZUUITSTZNPI-CQSZACIVSA-N 2 2 288.395 2.887 10 0 CFAELP CCC[N@H+](Cc1ccc(OC)cc1)[C@H]1CCC[NH2+]C1 ZINC000111237797 186373341 /nfs/dbraw/zinc/37/33/41/186373341.db2.gz ONGXNJWIOZITDP-HNNXBMFYSA-N 2 2 262.397 2.659 10 0 CFAELP CCC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCC[NH2+]C1 ZINC000111237797 186373342 /nfs/dbraw/zinc/37/33/42/186373342.db2.gz ONGXNJWIOZITDP-HNNXBMFYSA-N 2 2 262.397 2.659 10 0 CFAELP CCC[N@H+](Cc1ccc(OC)cc1)[C@@H]1CCC[NH2+]C1 ZINC000111237795 186373959 /nfs/dbraw/zinc/37/39/59/186373959.db2.gz ONGXNJWIOZITDP-OAHLLOKOSA-N 2 2 262.397 2.659 10 0 CFAELP CCC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCC[NH2+]C1 ZINC000111237795 186373960 /nfs/dbraw/zinc/37/39/60/186373960.db2.gz ONGXNJWIOZITDP-OAHLLOKOSA-N 2 2 262.397 2.659 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1cccc2cccnc21 ZINC000616614779 352384729 /nfs/dbraw/zinc/38/47/29/352384729.db2.gz MCEBKFSXJWSCFB-OAHLLOKOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1cccc2cccnc21 ZINC000616614779 352384732 /nfs/dbraw/zinc/38/47/32/352384732.db2.gz MCEBKFSXJWSCFB-OAHLLOKOSA-N 2 2 255.365 2.721 10 0 CFAELP Cc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000136079830 539878871 /nfs/dbraw/zinc/87/88/71/539878871.db2.gz GYEJYAUUUPHMRA-MRXNPFEDSA-N 2 2 255.365 2.856 10 0 CFAELP Cc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000136079830 539878872 /nfs/dbraw/zinc/87/88/72/539878872.db2.gz GYEJYAUUUPHMRA-MRXNPFEDSA-N 2 2 255.365 2.856 10 0 CFAELP C[C@H]1C[N@H+](Cc2csc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000631840531 355602780 /nfs/dbraw/zinc/60/27/80/355602780.db2.gz TTZDJZXDNNFCRS-JSGCOSHPSA-N 2 2 287.432 2.837 10 0 CFAELP C[C@H]1C[N@@H+](Cc2csc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000631840531 355602783 /nfs/dbraw/zinc/60/27/83/355602783.db2.gz TTZDJZXDNNFCRS-JSGCOSHPSA-N 2 2 287.432 2.837 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000229641308 540183819 /nfs/dbraw/zinc/18/38/19/540183819.db2.gz JURKNSNYZWKGCA-OAHLLOKOSA-N 2 2 257.381 2.742 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000229641308 540183822 /nfs/dbraw/zinc/18/38/22/540183822.db2.gz JURKNSNYZWKGCA-OAHLLOKOSA-N 2 2 257.381 2.742 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccc(Br)cc1 ZINC000675054540 540355205 /nfs/dbraw/zinc/35/52/05/540355205.db2.gz OATQMRJWKBUNAI-QWHCGFSZSA-N 2 2 283.213 2.933 10 0 CFAELP CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccc(Br)cc1 ZINC000675054540 540355207 /nfs/dbraw/zinc/35/52/07/540355207.db2.gz OATQMRJWKBUNAI-QWHCGFSZSA-N 2 2 283.213 2.933 10 0 CFAELP Cc1cc(N2CCC[C@@H]2Cn2cc[nH+]c2)nc(C2CC2)[nH+]1 ZINC000176966341 189017169 /nfs/dbraw/zinc/01/71/69/189017169.db2.gz OXXZUQOCINIXIQ-CQSZACIVSA-N 2 2 283.379 2.528 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C)cc1 ZINC000178318766 189107161 /nfs/dbraw/zinc/10/71/61/189107161.db2.gz DMNLRFFUJLEVLT-QZTJIDSGSA-N 2 2 299.418 2.698 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C)cc1 ZINC000178318766 189107162 /nfs/dbraw/zinc/10/71/62/189107162.db2.gz DMNLRFFUJLEVLT-QZTJIDSGSA-N 2 2 299.418 2.698 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000178287121 189103442 /nfs/dbraw/zinc/10/34/42/189103442.db2.gz JMCYTEMSRBBCBG-INIZCTEOSA-N 2 2 273.355 2.995 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000178287121 189103443 /nfs/dbraw/zinc/10/34/43/189103443.db2.gz JMCYTEMSRBBCBG-INIZCTEOSA-N 2 2 273.355 2.995 10 0 CFAELP Cc1cnc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)s1 ZINC000180532652 189261177 /nfs/dbraw/zinc/26/11/77/189261177.db2.gz GURLVEZRCLTBAK-CYBMUJFWSA-N 2 2 276.409 2.621 10 0 CFAELP Cc1cnc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)s1 ZINC000180532652 189261178 /nfs/dbraw/zinc/26/11/78/189261178.db2.gz GURLVEZRCLTBAK-CYBMUJFWSA-N 2 2 276.409 2.621 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000182759814 189334029 /nfs/dbraw/zinc/33/40/29/189334029.db2.gz RDUGYRRCLFGFDW-QGZVFWFLSA-N 2 2 299.418 2.775 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000182759814 189334030 /nfs/dbraw/zinc/33/40/30/189334030.db2.gz RDUGYRRCLFGFDW-QGZVFWFLSA-N 2 2 299.418 2.775 10 0 CFAELP Cc1nc(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302099752 201341185 /nfs/dbraw/zinc/34/11/85/201341185.db2.gz PMPREKZPIXNBBG-LRDDRELGSA-N 2 2 288.439 2.804 10 0 CFAELP Cc1nc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302099752 201341190 /nfs/dbraw/zinc/34/11/90/201341190.db2.gz PMPREKZPIXNBBG-LRDDRELGSA-N 2 2 288.439 2.804 10 0 CFAELP C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)[C@H]1CC[NH2+]C1 ZINC000400343851 296149788 /nfs/dbraw/zinc/14/97/88/296149788.db2.gz GMELFVMCTLVNRB-VWYCJHECSA-N 2 2 254.324 2.613 10 0 CFAELP CSc1ccc([C@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000034938043 372518652 /nfs/dbraw/zinc/51/86/52/372518652.db2.gz XNIKGUPFVXLJLL-AWEZNQCLSA-N 2 2 250.411 2.894 10 0 CFAELP c1coc([C@@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)c1 ZINC000041660224 372857382 /nfs/dbraw/zinc/85/73/82/372857382.db2.gz OWJNWDFVUZYFEJ-INIZCTEOSA-N 2 2 256.349 2.711 10 0 CFAELP COCC[N@H+](C)CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000061374739 373716461 /nfs/dbraw/zinc/71/64/61/373716461.db2.gz AWJIPGLKNXAMMT-OWCLPIDISA-N 2 2 270.461 2.615 10 0 CFAELP COCC[N@@H+](C)CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000061374739 373716469 /nfs/dbraw/zinc/71/64/69/373716469.db2.gz AWJIPGLKNXAMMT-OWCLPIDISA-N 2 2 270.461 2.615 10 0 CFAELP Cc1cc[nH+]c(N[C@H](c2[nH]cc[nH+]2)c2cccnc2)c1 ZINC000195088912 220227571 /nfs/dbraw/zinc/22/75/71/220227571.db2.gz AMNLUDQSMRCUGK-AWEZNQCLSA-N 2 2 265.320 2.710 10 0 CFAELP Cc1nc(N2CCC[C@H]([NH3+])C2)cc(-c2ccc(F)cc2)[nH+]1 ZINC000070458546 374181639 /nfs/dbraw/zinc/18/16/39/374181639.db2.gz VJOARTFMMHJAEA-AWEZNQCLSA-N 2 2 286.354 2.519 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000119702407 376453849 /nfs/dbraw/zinc/45/38/49/376453849.db2.gz LONIRRGJPSXWNE-HNNXBMFYSA-N 2 2 299.378 2.591 10 0 CFAELP CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]cc2Br)C1 ZINC000132503187 377848177 /nfs/dbraw/zinc/84/81/77/377848177.db2.gz OVJRREQOFFXERV-SNVBAGLBSA-N 2 2 284.201 2.740 10 0 CFAELP CC[N@H+]1CCC[C@@H](Nc2cc[nH+]cc2Br)C1 ZINC000132503187 377848186 /nfs/dbraw/zinc/84/81/86/377848186.db2.gz OVJRREQOFFXERV-SNVBAGLBSA-N 2 2 284.201 2.740 10 0 CFAELP C[C@@H]1CCN(c2[nH+]ccc3ccccc32)C[C@@H]1C[NH3+] ZINC000163932316 378996793 /nfs/dbraw/zinc/99/67/93/378996793.db2.gz GEPIIZAEAWEYDI-OCCSQVGLSA-N 2 2 255.365 2.656 10 0 CFAELP C[C@H]([NH3+])C1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000168594393 379092113 /nfs/dbraw/zinc/09/21/13/379092113.db2.gz BEKKCLQXJYBTBY-LBPRGKRZSA-N 2 2 255.365 2.798 10 0 CFAELP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000171696623 379375323 /nfs/dbraw/zinc/37/53/23/379375323.db2.gz YZPGUTDUBBHTPH-ZDUSSCGKSA-N 2 2 273.405 2.810 10 0 CFAELP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000171696623 379375330 /nfs/dbraw/zinc/37/53/30/379375330.db2.gz YZPGUTDUBBHTPH-ZDUSSCGKSA-N 2 2 273.405 2.810 10 0 CFAELP CSCCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000173779176 379776249 /nfs/dbraw/zinc/77/62/49/379776249.db2.gz GVBJHIUKFQHZJV-ZDUSSCGKSA-N 2 2 265.426 2.569 10 0 CFAELP CSCCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000173779176 379776251 /nfs/dbraw/zinc/77/62/51/379776251.db2.gz GVBJHIUKFQHZJV-ZDUSSCGKSA-N 2 2 265.426 2.569 10 0 CFAELP Cc1ccccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177101516 380304194 /nfs/dbraw/zinc/30/41/94/380304194.db2.gz SLVANWQJVNCUIH-INIZCTEOSA-N 2 2 255.365 2.856 10 0 CFAELP Cc1ccccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177101516 380304202 /nfs/dbraw/zinc/30/42/02/380304202.db2.gz SLVANWQJVNCUIH-INIZCTEOSA-N 2 2 255.365 2.856 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccccc1N(C)C ZINC000178325524 380436608 /nfs/dbraw/zinc/43/66/08/380436608.db2.gz OESYYMGEXLWFDT-KRWDZBQOSA-N 2 2 298.434 2.922 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccccc1N(C)C ZINC000178325524 380436613 /nfs/dbraw/zinc/43/66/13/380436613.db2.gz OESYYMGEXLWFDT-KRWDZBQOSA-N 2 2 298.434 2.922 10 0 CFAELP CC[N@@H+]1CCC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC000180429895 380658880 /nfs/dbraw/zinc/65/88/80/380658880.db2.gz SNPOMASTSWJYRG-ZDUSSCGKSA-N 2 2 274.412 2.560 10 0 CFAELP CC[N@H+]1CCC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC000180429895 380658888 /nfs/dbraw/zinc/65/88/88/380658888.db2.gz SNPOMASTSWJYRG-ZDUSSCGKSA-N 2 2 274.412 2.560 10 0 CFAELP CCc1cc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)nc(C)[nH+]1 ZINC000302091586 382207091 /nfs/dbraw/zinc/20/70/91/382207091.db2.gz MIUIOYSWHFXOEW-CQSZACIVSA-N 2 2 299.422 2.540 10 0 CFAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000344741002 382274216 /nfs/dbraw/zinc/27/42/16/382274216.db2.gz NEULLOXAZIRXFC-WTIISPKJSA-N 2 2 278.362 2.895 10 0 CFAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000344741002 382274228 /nfs/dbraw/zinc/27/42/28/382274228.db2.gz NEULLOXAZIRXFC-WTIISPKJSA-N 2 2 278.362 2.895 10 0 CFAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000358187629 382494900 /nfs/dbraw/zinc/49/49/00/382494900.db2.gz ZMOSSGYOJZPMDD-BFVZDQMLSA-N 2 2 254.324 2.566 10 0 CFAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000358187629 382494905 /nfs/dbraw/zinc/49/49/05/382494905.db2.gz ZMOSSGYOJZPMDD-BFVZDQMLSA-N 2 2 254.324 2.566 10 0 CFAELP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000358411482 382604129 /nfs/dbraw/zinc/60/41/29/382604129.db2.gz YXMIJELNJQHKRV-COPLHBTASA-N 2 2 252.789 2.941 10 0 CFAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000358411482 382604130 /nfs/dbraw/zinc/60/41/30/382604130.db2.gz YXMIJELNJQHKRV-COPLHBTASA-N 2 2 252.789 2.941 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000389160792 382611158 /nfs/dbraw/zinc/61/11/58/382611158.db2.gz AKZLJLQYRWAISX-HOTGVXAUSA-N 2 2 262.372 2.961 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000389160792 382611162 /nfs/dbraw/zinc/61/11/62/382611162.db2.gz AKZLJLQYRWAISX-HOTGVXAUSA-N 2 2 262.372 2.961 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000389161565 382611452 /nfs/dbraw/zinc/61/14/52/382611452.db2.gz AMWSTNLMNAZATH-CQSZACIVSA-N 2 2 252.789 2.832 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000389161565 382611457 /nfs/dbraw/zinc/61/14/57/382611457.db2.gz AMWSTNLMNAZATH-CQSZACIVSA-N 2 2 252.789 2.832 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000389283998 382613303 /nfs/dbraw/zinc/61/33/03/382613303.db2.gz VLJKUKCIEKRSSX-GHMZBOCLSA-N 2 2 252.324 2.791 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000389283998 382613306 /nfs/dbraw/zinc/61/33/06/382613306.db2.gz VLJKUKCIEKRSSX-GHMZBOCLSA-N 2 2 252.324 2.791 10 0 CFAELP CCCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195275560 382765725 /nfs/dbraw/zinc/76/57/25/382765725.db2.gz KKIFPIBZIUUCCR-INIZCTEOSA-N 2 2 261.413 2.635 10 0 CFAELP CCCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195275560 382765726 /nfs/dbraw/zinc/76/57/26/382765726.db2.gz KKIFPIBZIUUCCR-INIZCTEOSA-N 2 2 261.413 2.635 10 0 CFAELP CCCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195275560 382765727 /nfs/dbraw/zinc/76/57/27/382765727.db2.gz KKIFPIBZIUUCCR-INIZCTEOSA-N 2 2 261.413 2.635 10 0 CFAELP CCCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195275560 382765728 /nfs/dbraw/zinc/76/57/28/382765728.db2.gz KKIFPIBZIUUCCR-INIZCTEOSA-N 2 2 261.413 2.635 10 0 CFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC000195285950 382766067 /nfs/dbraw/zinc/76/60/67/382766067.db2.gz LRGMRGCYMLUAMN-VFQAQYNWSA-N 2 2 279.815 2.588 10 0 CFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC000195285950 382766068 /nfs/dbraw/zinc/76/60/68/382766068.db2.gz LRGMRGCYMLUAMN-VFQAQYNWSA-N 2 2 279.815 2.588 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000195285950 382766071 /nfs/dbraw/zinc/76/60/71/382766071.db2.gz LRGMRGCYMLUAMN-VFQAQYNWSA-N 2 2 279.815 2.588 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000195285950 382766074 /nfs/dbraw/zinc/76/60/74/382766074.db2.gz LRGMRGCYMLUAMN-VFQAQYNWSA-N 2 2 279.815 2.588 10 0 CFAELP Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000195438854 382768036 /nfs/dbraw/zinc/76/80/36/382768036.db2.gz RFTJKJFDENKLGO-OAHLLOKOSA-N 2 2 296.842 2.585 10 0 CFAELP CC[C@H]([NH2+][C@H]1CC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000336887289 382737722 /nfs/dbraw/zinc/73/77/22/382737722.db2.gz CVFGNHMIDMTEMF-HOCLYGCPSA-N 2 2 262.397 2.830 10 0 CFAELP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000336887289 382737723 /nfs/dbraw/zinc/73/77/23/382737723.db2.gz CVFGNHMIDMTEMF-HOCLYGCPSA-N 2 2 262.397 2.830 10 0 CFAELP C[N@H+](Cc1cc(-c2ccco2)on1)[C@H]1CCC[NH2+]CC1 ZINC000231668233 382865843 /nfs/dbraw/zinc/86/58/43/382865843.db2.gz IPLJXSGSPXHHNW-ZDUSSCGKSA-N 2 2 275.352 2.509 10 0 CFAELP C[N@@H+](Cc1cc(-c2ccco2)on1)[C@H]1CCC[NH2+]CC1 ZINC000231668233 382865845 /nfs/dbraw/zinc/86/58/45/382865845.db2.gz IPLJXSGSPXHHNW-ZDUSSCGKSA-N 2 2 275.352 2.509 10 0 CFAELP C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)s2)C[C@@H]1[NH3+] ZINC000235351828 382879862 /nfs/dbraw/zinc/87/98/62/382879862.db2.gz NCASVCRRBNDRBY-PWSUYJOCSA-N 2 2 252.427 2.825 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)s2)C[C@@H]1[NH3+] ZINC000235351828 382879863 /nfs/dbraw/zinc/87/98/63/382879863.db2.gz NCASVCRRBNDRBY-PWSUYJOCSA-N 2 2 252.427 2.825 10 0 CFAELP C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)s2)C[C@@H]1[NH3+] ZINC000235644853 382884813 /nfs/dbraw/zinc/88/48/13/382884813.db2.gz NCASVCRRBNDRBY-JQWIXIFHSA-N 2 2 252.427 2.825 10 0 CFAELP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)s2)C[C@@H]1[NH3+] ZINC000235644853 382884815 /nfs/dbraw/zinc/88/48/15/382884815.db2.gz NCASVCRRBNDRBY-JQWIXIFHSA-N 2 2 252.427 2.825 10 0 CFAELP Cn1c2ccccc2[nH+]c1N[C@H](C[NH3+])C1CCCC1 ZINC000236100334 382891942 /nfs/dbraw/zinc/89/19/42/382891942.db2.gz YHEWMACPKFUXQD-CYBMUJFWSA-N 2 2 258.369 2.503 10 0 CFAELP CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000247352456 383166229 /nfs/dbraw/zinc/16/62/29/383166229.db2.gz OBVKXOJEAKLVFU-GXFFZTMASA-N 2 2 253.777 2.876 10 0 CFAELP CC(C)[N@H+]1C[C@H](C)[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000247352456 383166232 /nfs/dbraw/zinc/16/62/32/383166232.db2.gz OBVKXOJEAKLVFU-GXFFZTMASA-N 2 2 253.777 2.876 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)Cc2ccc(OC)cc2)C1 ZINC000250209260 383372806 /nfs/dbraw/zinc/37/28/06/383372806.db2.gz CIYKNDRXPLUXKN-ZBFHGGJFSA-N 2 2 276.424 2.700 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)Cc2ccc(OC)cc2)C1 ZINC000250209260 383372810 /nfs/dbraw/zinc/37/28/10/383372810.db2.gz CIYKNDRXPLUXKN-ZBFHGGJFSA-N 2 2 276.424 2.700 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)C1(C)C ZINC000250483466 383376283 /nfs/dbraw/zinc/37/62/83/383376283.db2.gz GJIMSPHVTJURRU-QLFBSQMISA-N 2 2 270.461 2.756 10 0 CFAELP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2F)C[C@@H]1C[NH3+] ZINC000634999143 383455845 /nfs/dbraw/zinc/45/58/45/383455845.db2.gz QPTFKKXQNXTFBX-KOLCDFICSA-N 2 2 256.752 2.506 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2F)C[C@@H]1C[NH3+] ZINC000634999143 383455851 /nfs/dbraw/zinc/45/58/51/383455851.db2.gz QPTFKKXQNXTFBX-KOLCDFICSA-N 2 2 256.752 2.506 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@@H]12 ZINC000261558783 383511098 /nfs/dbraw/zinc/51/10/98/383511098.db2.gz DJOFEZHKRIZWTP-IMSIIYSGSA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@@H]12 ZINC000261558783 383511102 /nfs/dbraw/zinc/51/11/02/383511102.db2.gz DJOFEZHKRIZWTP-IMSIIYSGSA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+]C1CCC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000261558108 383511128 /nfs/dbraw/zinc/51/11/28/383511128.db2.gz XVGGUGXPHTVJMW-DAWZGUTISA-N 3 2 287.451 2.511 10 0 CFAELP [NH3+]C1CCC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000261558108 383511131 /nfs/dbraw/zinc/51/11/31/383511131.db2.gz XVGGUGXPHTVJMW-DAWZGUTISA-N 3 2 287.451 2.511 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)s3)C[C@@H]12 ZINC000261954098 383586188 /nfs/dbraw/zinc/58/61/88/383586188.db2.gz OKUQFCMQDCSMOR-FBIMIBRVSA-N 2 2 290.354 2.936 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)s3)C[C@@H]12 ZINC000261954098 383586193 /nfs/dbraw/zinc/58/61/93/383586193.db2.gz OKUQFCMQDCSMOR-FBIMIBRVSA-N 2 2 290.354 2.936 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)s3)C[C@@H]12 ZINC000261954104 383586236 /nfs/dbraw/zinc/58/62/36/383586236.db2.gz OKUQFCMQDCSMOR-JMJZKYOTSA-N 2 2 290.354 2.936 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)s3)C[C@@H]12 ZINC000261954104 383586240 /nfs/dbraw/zinc/58/62/40/383586240.db2.gz OKUQFCMQDCSMOR-JMJZKYOTSA-N 2 2 290.354 2.936 10 0 CFAELP C[C@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)C[C@H]1[NH3+] ZINC000262006860 383593357 /nfs/dbraw/zinc/59/33/57/383593357.db2.gz LXUADTPXOXVAIV-XJKSGUPXSA-N 2 2 267.376 2.528 10 0 CFAELP C[C@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)C[C@H]1[NH3+] ZINC000262006860 383593360 /nfs/dbraw/zinc/59/33/60/383593360.db2.gz LXUADTPXOXVAIV-XJKSGUPXSA-N 2 2 267.376 2.528 10 0 CFAELP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)o2)C[C@@H]1[NH3+] ZINC000262104859 383605493 /nfs/dbraw/zinc/60/54/93/383605493.db2.gz VWAZSUDQOLPXQW-ABAIWWIYSA-N 2 2 274.339 2.865 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)o2)C[C@@H]1[NH3+] ZINC000262104859 383605495 /nfs/dbraw/zinc/60/54/95/383605495.db2.gz VWAZSUDQOLPXQW-ABAIWWIYSA-N 2 2 274.339 2.865 10 0 CFAELP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000532511497 384039365 /nfs/dbraw/zinc/03/93/65/384039365.db2.gz TUAODYNKQOOPCZ-YIDVYQOGSA-N 2 2 252.446 2.987 10 0 CFAELP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000532511497 384039371 /nfs/dbraw/zinc/03/93/71/384039371.db2.gz TUAODYNKQOOPCZ-YIDVYQOGSA-N 2 2 252.446 2.987 10 0 CFAELP C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000400391208 533502997 /nfs/dbraw/zinc/50/29/97/533502997.db2.gz NIMGHCIJENKOID-IMSIIYSGSA-N 2 2 254.324 2.756 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000111763576 393886689 /nfs/dbraw/zinc/88/66/89/393886689.db2.gz ZCCLZYRUTQLECG-HNNXBMFYSA-N 2 2 269.392 2.809 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000111763576 393886693 /nfs/dbraw/zinc/88/66/93/393886693.db2.gz ZCCLZYRUTQLECG-HNNXBMFYSA-N 2 2 269.392 2.809 10 0 CFAELP COCc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188407624 543061712 /nfs/dbraw/zinc/06/17/12/543061712.db2.gz QEGWRHWXEBEVKK-QGZVFWFLSA-N 2 2 285.391 2.694 10 0 CFAELP COCc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188407624 543061717 /nfs/dbraw/zinc/06/17/17/543061717.db2.gz QEGWRHWXEBEVKK-QGZVFWFLSA-N 2 2 285.391 2.694 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+](C)CC(C)(C)C)cc1OC ZINC000020226359 171091040 /nfs/dbraw/zinc/09/10/40/171091040.db2.gz ABQXSRQHPNLDMQ-ZDUSSCGKSA-N 2 2 280.412 2.682 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)CC(C)(C)C)cc1OC ZINC000020226359 171091041 /nfs/dbraw/zinc/09/10/41/171091041.db2.gz ABQXSRQHPNLDMQ-ZDUSSCGKSA-N 2 2 280.412 2.682 10 0 CFAELP CCC[N@H+](C)[C@@H](C[NH3+])c1cccc(OC(C)C)c1 ZINC000020226646 171091231 /nfs/dbraw/zinc/09/12/31/171091231.db2.gz FLBKPSPTOQGNAT-HNNXBMFYSA-N 2 2 250.386 2.815 10 0 CFAELP CCC[N@@H+](C)[C@@H](C[NH3+])c1cccc(OC(C)C)c1 ZINC000020226646 171091234 /nfs/dbraw/zinc/09/12/34/171091234.db2.gz FLBKPSPTOQGNAT-HNNXBMFYSA-N 2 2 250.386 2.815 10 0 CFAELP COc1cccc([C@H](C[NH3+])[N@H+](C)CC(C)(C)C)c1OC ZINC000020226683 171091717 /nfs/dbraw/zinc/09/17/17/171091717.db2.gz LVAKNLADIPOXRM-ZDUSSCGKSA-N 2 2 280.412 2.682 10 0 CFAELP COc1cccc([C@H](C[NH3+])[N@@H+](C)CC(C)(C)C)c1OC ZINC000020226683 171091718 /nfs/dbraw/zinc/09/17/18/171091718.db2.gz LVAKNLADIPOXRM-ZDUSSCGKSA-N 2 2 280.412 2.682 10 0 CFAELP CC(C)[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000022212697 171374177 /nfs/dbraw/zinc/37/41/77/171374177.db2.gz JKONCPWLWJOUMK-LBPRGKRZSA-N 2 2 271.202 2.789 10 0 CFAELP CC(C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000022212697 171374179 /nfs/dbraw/zinc/37/41/79/171374179.db2.gz JKONCPWLWJOUMK-LBPRGKRZSA-N 2 2 271.202 2.789 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc2c(s1)CCCC2 ZINC000035503455 172237590 /nfs/dbraw/zinc/23/75/90/172237590.db2.gz OKJMPNWVPCXABB-LLVKDONJSA-N 2 2 261.394 2.853 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Br)cc1 ZINC000035504133 172237683 /nfs/dbraw/zinc/23/76/83/172237683.db2.gz KOKROEQFYIDLRK-LLVKDONJSA-N 2 2 280.169 2.675 10 0 CFAELP C[C@H]1CC(C)(C)C[C@](C[NH3+])([N@H+](C)[C@@H]2CCSC2)C1 ZINC000037174628 173009599 /nfs/dbraw/zinc/00/95/99/173009599.db2.gz ODUYGCYWMTZBJC-GZBFAFLISA-N 2 2 270.486 2.967 10 0 CFAELP C[C@H]1CC(C)(C)C[C@](C[NH3+])([N@@H+](C)[C@@H]2CCSC2)C1 ZINC000037174628 173009600 /nfs/dbraw/zinc/00/96/00/173009600.db2.gz ODUYGCYWMTZBJC-GZBFAFLISA-N 2 2 270.486 2.967 10 0 CFAELP C[C@@H]1CC(C)(C)C[C@@](C[NH3+])([N@H+](C)[C@@H]2CCSC2)C1 ZINC000037174625 173009688 /nfs/dbraw/zinc/00/96/88/173009688.db2.gz ODUYGCYWMTZBJC-NFAWXSAZSA-N 2 2 270.486 2.967 10 0 CFAELP C[C@@H]1CC(C)(C)C[C@@](C[NH3+])([N@@H+](C)[C@@H]2CCSC2)C1 ZINC000037174625 173009690 /nfs/dbraw/zinc/00/96/90/173009690.db2.gz ODUYGCYWMTZBJC-NFAWXSAZSA-N 2 2 270.486 2.967 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655708565 414381096 /nfs/dbraw/zinc/38/10/96/414381096.db2.gz KQPKOJRAFUQSEP-MGPQQGTHSA-N 2 2 258.475 2.836 10 0 CFAELP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000038028840 174017910 /nfs/dbraw/zinc/01/79/10/174017910.db2.gz YPMZZNHPQOVVBJ-ZACQAIPSSA-N 3 2 281.488 2.571 10 0 CFAELP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000038028840 174017912 /nfs/dbraw/zinc/01/79/12/174017912.db2.gz YPMZZNHPQOVVBJ-ZACQAIPSSA-N 3 2 281.488 2.571 10 0 CFAELP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000038028857 174018262 /nfs/dbraw/zinc/01/82/62/174018262.db2.gz RSSBVNLIYBXVMA-KZNAEPCWSA-N 3 2 295.515 2.961 10 0 CFAELP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000038028857 174018265 /nfs/dbraw/zinc/01/82/65/174018265.db2.gz RSSBVNLIYBXVMA-KZNAEPCWSA-N 3 2 295.515 2.961 10 0 CFAELP Cc1ccccc1-c1c[nH]c(CC2CC[NH2+]CC2)[nH+]1 ZINC000038076112 174086513 /nfs/dbraw/zinc/08/65/13/174086513.db2.gz GEBUHGOXRZYPQT-UHFFFAOYSA-N 2 2 255.365 2.927 10 0 CFAELP C[N@@H+](Cc1ccccc1)C[C@@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000038137781 174133657 /nfs/dbraw/zinc/13/36/57/174133657.db2.gz SRUICLOLPQHETR-OAHLLOKOSA-N 2 2 284.359 2.547 10 0 CFAELP C[N@H+](Cc1ccccc1)C[C@@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000038137781 174133660 /nfs/dbraw/zinc/13/36/60/174133660.db2.gz SRUICLOLPQHETR-OAHLLOKOSA-N 2 2 284.359 2.547 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[NH+]2CCCCCC2)cc1OC ZINC000038808952 174156283 /nfs/dbraw/zinc/15/62/83/174156283.db2.gz ORMKZJKPZHAGHI-CQSZACIVSA-N 2 2 278.396 2.580 10 0 CFAELP CC(C)Oc1ccc([C@@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000038983687 174161277 /nfs/dbraw/zinc/16/12/77/174161277.db2.gz MWRACDNOVDYWLN-MRXNPFEDSA-N 2 2 262.397 2.960 10 0 CFAELP Cc1[nH+]c2cc(Cl)ccc2n1CCC[NH+](C)C ZINC000040404137 174253706 /nfs/dbraw/zinc/25/37/06/174253706.db2.gz JZKSMJTXWKHEMO-UHFFFAOYSA-N 2 2 251.761 2.950 10 0 CFAELP CCC[NH+]1CCC([C@H](C)[NH2+][C@H]2CCC[N@H+](CC)C2)CC1 ZINC000040502630 174299355 /nfs/dbraw/zinc/29/93/55/174299355.db2.gz FHLVZLMCOQPDOV-RDJZCZTQSA-N 3 2 281.488 2.571 10 0 CFAELP CCC[NH+]1CCC([C@H](C)[NH2+][C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000040502630 174299356 /nfs/dbraw/zinc/29/93/56/174299356.db2.gz FHLVZLMCOQPDOV-RDJZCZTQSA-N 3 2 281.488 2.571 10 0 CFAELP Cc1cc(C)c(C[NH3+])c(N(C)Cc2cccc(F)c2)[nH+]1 ZINC000040509364 174303604 /nfs/dbraw/zinc/30/36/04/174303604.db2.gz GZCRLMPTFIZEBW-UHFFFAOYSA-N 2 2 273.355 2.933 10 0 CFAELP Cc1cc(C)c(C[NH3+])c(N(C)Cc2ccccc2)[nH+]1 ZINC000040509343 174303702 /nfs/dbraw/zinc/30/37/02/174303702.db2.gz SXEVZLJTCJOPRD-UHFFFAOYSA-N 2 2 255.365 2.794 10 0 CFAELP CC(C)Oc1cccc([C@@H](C[NH3+])[NH+]2CCCCC2)c1 ZINC000040640919 174364165 /nfs/dbraw/zinc/36/41/65/174364165.db2.gz FTOPRVBSOATZKX-MRXNPFEDSA-N 2 2 262.397 2.960 10 0 CFAELP CC(C)[C@@H](C)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671335 174369930 /nfs/dbraw/zinc/36/99/30/174369930.db2.gz QMZHNGGRRRKZIK-WBVHZDCISA-N 2 2 260.425 2.938 10 0 CFAELP CC(C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671335 174369931 /nfs/dbraw/zinc/36/99/31/174369931.db2.gz QMZHNGGRRRKZIK-WBVHZDCISA-N 2 2 260.425 2.938 10 0 CFAELP O=C1CCCCC[C@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693679 174377466 /nfs/dbraw/zinc/37/74/66/174377466.db2.gz OMNHLPDPYULVOG-MRXNPFEDSA-N 2 2 278.440 2.839 10 0 CFAELP CCOC1CC[NH+]([C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000042901784 174906385 /nfs/dbraw/zinc/90/63/85/174906385.db2.gz DQAAIRXTKHJISX-BBRMVZONSA-N 2 2 262.397 2.576 10 0 CFAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)C[C@@H]2CCCCO2)c1C ZINC000043314850 175004650 /nfs/dbraw/zinc/00/46/50/175004650.db2.gz OKVQGAAAWPXIFO-RDJZCZTQSA-N 2 2 276.424 2.804 10 0 CFAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCCO2)c1C ZINC000043314850 175004651 /nfs/dbraw/zinc/00/46/51/175004651.db2.gz OKVQGAAAWPXIFO-RDJZCZTQSA-N 2 2 276.424 2.804 10 0 CFAELP CCO[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2cccc(C)c2C)C1 ZINC000043314998 175004828 /nfs/dbraw/zinc/00/48/28/175004828.db2.gz NVNSDHRUTZDCPT-WBVHZDCISA-N 2 2 276.424 2.804 10 0 CFAELP CCO[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2cccc(C)c2C)C1 ZINC000043314998 175004830 /nfs/dbraw/zinc/00/48/30/175004830.db2.gz NVNSDHRUTZDCPT-WBVHZDCISA-N 2 2 276.424 2.804 10 0 CFAELP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043326750 175008083 /nfs/dbraw/zinc/00/80/83/175008083.db2.gz KTCDGRVZXUGGNI-KBPBESRZSA-N 2 2 262.397 2.876 10 0 CFAELP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326742 175008253 /nfs/dbraw/zinc/00/82/53/175008253.db2.gz BRAILKZKYHWWKP-TZMCWYRMSA-N 2 2 262.397 2.943 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043336233 175012174 /nfs/dbraw/zinc/01/21/74/175012174.db2.gz SAOBDZVWPGKSBE-NOLJZWGESA-N 2 2 280.412 2.805 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043336233 175012176 /nfs/dbraw/zinc/01/21/76/175012176.db2.gz SAOBDZVWPGKSBE-NOLJZWGESA-N 2 2 280.412 2.805 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+](CC(C)C)C1CC1 ZINC000043340920 175014388 /nfs/dbraw/zinc/01/43/88/175014388.db2.gz ZMPKDWAPGFXUNC-HOCLYGCPSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](CC(C)C)C1CC1 ZINC000043340920 175014390 /nfs/dbraw/zinc/01/43/90/175014390.db2.gz ZMPKDWAPGFXUNC-HOCLYGCPSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043345756 175016776 /nfs/dbraw/zinc/01/67/76/175016776.db2.gz CFQMXLDAZKEVSQ-XRGAULLZSA-N 2 2 261.413 2.838 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043345756 175016778 /nfs/dbraw/zinc/01/67/78/175016778.db2.gz CFQMXLDAZKEVSQ-XRGAULLZSA-N 2 2 261.413 2.838 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+](CC(C)C)C1CC1 ZINC000043348385 175018387 /nfs/dbraw/zinc/01/83/87/175018387.db2.gz UXLVTCDPYXHEIK-HZPDHXFCSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](CC(C)C)C1CC1 ZINC000043348385 175018388 /nfs/dbraw/zinc/01/83/88/175018388.db2.gz UXLVTCDPYXHEIK-HZPDHXFCSA-N 2 2 261.413 2.980 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348792 175018459 /nfs/dbraw/zinc/01/84/59/175018459.db2.gz HHLDHLZTJOVQNM-BDJLRTHQSA-N 2 2 266.348 2.676 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043348492 175019022 /nfs/dbraw/zinc/01/90/22/175019022.db2.gz RGRAFQVZOQTDEY-IAOVAPTHSA-N 2 2 291.439 2.607 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043348492 175019023 /nfs/dbraw/zinc/01/90/23/175019023.db2.gz RGRAFQVZOQTDEY-IAOVAPTHSA-N 2 2 291.439 2.607 10 0 CFAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000043363827 175024591 /nfs/dbraw/zinc/02/45/91/175024591.db2.gz PGGFLDIYLQMBTG-WJNVRWDZSA-N 2 2 250.386 2.954 10 0 CFAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000043363827 175024593 /nfs/dbraw/zinc/02/45/93/175024593.db2.gz PGGFLDIYLQMBTG-WJNVRWDZSA-N 2 2 250.386 2.954 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043364786 175025917 /nfs/dbraw/zinc/02/59/17/175025917.db2.gz IYLKJNYANHJCJA-DZKIICNBSA-N 2 2 280.412 2.867 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043364786 175025919 /nfs/dbraw/zinc/02/59/19/175025919.db2.gz IYLKJNYANHJCJA-DZKIICNBSA-N 2 2 280.412 2.867 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](CCO)C1CCCCC1 ZINC000043365196 175026584 /nfs/dbraw/zinc/02/65/84/175026584.db2.gz WNZGOIUKAVKUSL-DOTOQJQBSA-N 2 2 294.439 2.993 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](CCO)C1CCCCC1 ZINC000043365196 175026585 /nfs/dbraw/zinc/02/65/85/175026585.db2.gz WNZGOIUKAVKUSL-DOTOQJQBSA-N 2 2 294.439 2.993 10 0 CFAELP CC[N@H+]([C@@H](C[NH3+])c1ccc(Cl)c(F)c1)C1CC1 ZINC000043390230 175033470 /nfs/dbraw/zinc/03/34/70/175033470.db2.gz CKIZVUFFUNPLRH-ZDUSSCGKSA-N 2 2 256.752 2.963 10 0 CFAELP CC[N@@H+]([C@@H](C[NH3+])c1ccc(Cl)c(F)c1)C1CC1 ZINC000043390230 175033471 /nfs/dbraw/zinc/03/34/71/175033471.db2.gz CKIZVUFFUNPLRH-ZDUSSCGKSA-N 2 2 256.752 2.963 10 0 CFAELP C[C@@H](CC[NH2+]CCc1[nH+]ccn1C)c1ccccc1 ZINC000043534258 175062873 /nfs/dbraw/zinc/06/28/73/175062873.db2.gz RDLRQNZQAPEMQC-AWEZNQCLSA-N 2 2 257.381 2.746 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000043818712 175113801 /nfs/dbraw/zinc/11/38/01/175113801.db2.gz COBCWPMQEUPVMN-SJORKVTESA-N 2 2 275.440 2.867 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818712 175113802 /nfs/dbraw/zinc/11/38/02/175113802.db2.gz COBCWPMQEUPVMN-SJORKVTESA-N 2 2 275.440 2.867 10 0 CFAELP CCCC[NH+](CCCC)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043819454 175113968 /nfs/dbraw/zinc/11/39/68/175113968.db2.gz PPXTVPFDYSJHTG-JKSUJKDBSA-N 2 2 298.471 2.772 10 0 CFAELP CCC[NH2+][C@H](CC)[C@H](C)[N@H+](C)CCc1ccccn1 ZINC000043818922 175114123 /nfs/dbraw/zinc/11/41/23/175114123.db2.gz JWQHBIUTZTWRED-GOEBONIOSA-N 2 2 263.429 2.723 10 0 CFAELP CCC[NH2+][C@H](CC)[C@H](C)[N@@H+](C)CCc1ccccn1 ZINC000043818922 175114124 /nfs/dbraw/zinc/11/41/24/175114124.db2.gz JWQHBIUTZTWRED-GOEBONIOSA-N 2 2 263.429 2.723 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@H+](C)Cc1cccnc1 ZINC000043893604 175118504 /nfs/dbraw/zinc/11/85/04/175118504.db2.gz JXEZKHDOCZNIPU-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](C)Cc1cccnc1 ZINC000043893604 175118505 /nfs/dbraw/zinc/11/85/05/175118505.db2.gz JXEZKHDOCZNIPU-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@H+](C)Cc1cccnc1 ZINC000043893605 175118760 /nfs/dbraw/zinc/11/87/60/175118760.db2.gz JXEZKHDOCZNIPU-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](C)Cc1cccnc1 ZINC000043893605 175118762 /nfs/dbraw/zinc/11/87/62/175118762.db2.gz JXEZKHDOCZNIPU-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)Cc1cccnc1 ZINC000043893594 175118811 /nfs/dbraw/zinc/11/88/11/175118811.db2.gz KMEQKXFHIOMPNT-BMFZPTHFSA-N 2 2 261.413 2.680 10 0 CFAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)Cc1cccnc1 ZINC000043893594 175118813 /nfs/dbraw/zinc/11/88/13/175118813.db2.gz KMEQKXFHIOMPNT-BMFZPTHFSA-N 2 2 261.413 2.680 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@H+](C)Cc1ccccn1 ZINC000043894277 175119399 /nfs/dbraw/zinc/11/93/99/175119399.db2.gz GPPKUGIEYCNJPY-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@@H+](C)Cc1ccccn1 ZINC000043894277 175119401 /nfs/dbraw/zinc/11/94/01/175119401.db2.gz GPPKUGIEYCNJPY-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@@H]1CCC[C@H]1[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911593 175123859 /nfs/dbraw/zinc/12/38/59/175123859.db2.gz VZKBCECDQVGSIX-HZPDHXFCSA-N 2 2 262.397 2.658 10 0 CFAELP CC[NH2+][C@@H]1CCC[C@H]1[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911593 175123860 /nfs/dbraw/zinc/12/38/60/175123860.db2.gz VZKBCECDQVGSIX-HZPDHXFCSA-N 2 2 262.397 2.658 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966068 175127478 /nfs/dbraw/zinc/12/74/78/175127478.db2.gz HLVQTNWLCIQZPZ-HRCADAONSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966068 175127480 /nfs/dbraw/zinc/12/74/80/175127480.db2.gz HLVQTNWLCIQZPZ-HRCADAONSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@@H]1[N@H+](C)C1CCC(C)CC1 ZINC000043967050 175127804 /nfs/dbraw/zinc/12/78/04/175127804.db2.gz ZVIQRCGBMHZCST-CKUJCDMFSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](C)C1CCC(C)CC1 ZINC000043967050 175127805 /nfs/dbraw/zinc/12/78/05/175127805.db2.gz ZVIQRCGBMHZCST-CKUJCDMFSA-N 2 2 268.445 2.654 10 0 CFAELP CC[N@H+](CCOC)C[C@H]([NH2+]C)C12CC3CC(CC(C3)C1)C2 ZINC000043968519 175129511 /nfs/dbraw/zinc/12/95/11/175129511.db2.gz ZNYRLARRZPVCJT-LESVLKBLSA-N 2 2 294.483 2.759 10 0 CFAELP CC[N@@H+](CCOC)C[C@H]([NH2+]C)C12CC3CC(CC(C3)C1)C2 ZINC000043968519 175129512 /nfs/dbraw/zinc/12/95/12/175129512.db2.gz ZNYRLARRZPVCJT-LESVLKBLSA-N 2 2 294.483 2.759 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@H](C)[N@H+](CC)CCOC ZINC000043968608 175129782 /nfs/dbraw/zinc/12/97/82/175129782.db2.gz IUVBAVKZEFGJIW-HOCLYGCPSA-N 2 2 264.413 2.694 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@H](C)[N@@H+](CC)CCOC ZINC000043968608 175129784 /nfs/dbraw/zinc/12/97/84/175129784.db2.gz IUVBAVKZEFGJIW-HOCLYGCPSA-N 2 2 264.413 2.694 10 0 CFAELP C[NH2+][C@@H](C[N@H+](C)[C@@H](C)COC)c1c(C)cc(C)cc1C ZINC000043969092 175130690 /nfs/dbraw/zinc/13/06/90/175130690.db2.gz AOROJHQANIJVIM-HOTGVXAUSA-N 2 2 278.440 2.839 10 0 CFAELP C[NH2+][C@@H](C[N@@H+](C)[C@@H](C)COC)c1c(C)cc(C)cc1C ZINC000043969092 175130692 /nfs/dbraw/zinc/13/06/92/175130692.db2.gz AOROJHQANIJVIM-HOTGVXAUSA-N 2 2 278.440 2.839 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043969914 175130921 /nfs/dbraw/zinc/13/09/21/175130921.db2.gz JLFLYDKUXMVQPR-HOTGVXAUSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043969914 175130923 /nfs/dbraw/zinc/13/09/23/175130923.db2.gz JLFLYDKUXMVQPR-HOTGVXAUSA-N 2 2 268.445 2.798 10 0 CFAELP CCCOc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C)cc1 ZINC000043993264 175136223 /nfs/dbraw/zinc/13/62/23/175136223.db2.gz IIYGGIJINWJNNR-HNNXBMFYSA-N 2 2 259.353 2.633 10 0 CFAELP C[NH2+][C@H]1c2ccccc2OC[C@H]1n1cc[nH+]c1C(C)C ZINC000043997533 175137320 /nfs/dbraw/zinc/13/73/20/175137320.db2.gz WRDQQCZQYGEOTC-HIFRSBDPSA-N 2 2 271.364 2.901 10 0 CFAELP C[N@H+](C1CC[NH+](C)CC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O ZINC000044121331 175142753 /nfs/dbraw/zinc/14/27/53/175142753.db2.gz SZKXRPXETXJNPT-IMJJTQAJSA-N 2 2 282.472 2.588 10 0 CFAELP C[N@@H+](C1CC[NH+](C)CC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O ZINC000044121331 175142754 /nfs/dbraw/zinc/14/27/54/175142754.db2.gz SZKXRPXETXJNPT-IMJJTQAJSA-N 2 2 282.472 2.588 10 0 CFAELP C[C@@H](c1ccc2c(c1)OCCCO2)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540176 175201168 /nfs/dbraw/zinc/20/11/68/175201168.db2.gz ZHNUBMACNBDROW-DZGCQCFKSA-N 2 2 290.407 2.722 10 0 CFAELP C[C@@H](c1ccc2c(c1)OCCCO2)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540176 175201170 /nfs/dbraw/zinc/20/11/70/175201170.db2.gz ZHNUBMACNBDROW-DZGCQCFKSA-N 2 2 290.407 2.722 10 0 CFAELP [NH3+]C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067074 175300448 /nfs/dbraw/zinc/30/04/48/175300448.db2.gz HTOSNSQPOFHYAV-HZPDHXFCSA-N 2 2 259.397 2.736 10 0 CFAELP [NH3+]C[C@H](c1ccccn1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067074 175300450 /nfs/dbraw/zinc/30/04/50/175300450.db2.gz HTOSNSQPOFHYAV-HZPDHXFCSA-N 2 2 259.397 2.736 10 0 CFAELP C[N@H+](CC(C)(C)C)[C@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000045070281 175300676 /nfs/dbraw/zinc/30/06/76/175300676.db2.gz XLCSKZYVIOVJKY-MRXNPFEDSA-N 2 2 286.423 2.850 10 0 CFAELP C[N@@H+](CC(C)(C)C)[C@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000045070281 175300677 /nfs/dbraw/zinc/30/06/77/175300677.db2.gz XLCSKZYVIOVJKY-MRXNPFEDSA-N 2 2 286.423 2.850 10 0 CFAELP Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000045170943 175320734 /nfs/dbraw/zinc/32/07/34/175320734.db2.gz GSWRPBOFWUYJKA-DFBGVHRSSA-N 2 2 287.411 2.678 10 0 CFAELP CCCC[N@H+](C)CCC[C@@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045368427 175363756 /nfs/dbraw/zinc/36/37/56/175363756.db2.gz YFULKZUAULWRGT-MRXNPFEDSA-N 2 2 284.444 2.572 10 0 CFAELP CCCC[N@@H+](C)CCC[C@@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045368427 175363758 /nfs/dbraw/zinc/36/37/58/175363758.db2.gz YFULKZUAULWRGT-MRXNPFEDSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C ZINC000045373319 175364756 /nfs/dbraw/zinc/36/47/56/175364756.db2.gz SMFJCALMVGQSRQ-HLLBOEOZSA-N 2 2 298.471 2.676 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C ZINC000045373319 175364757 /nfs/dbraw/zinc/36/47/57/175364757.db2.gz SMFJCALMVGQSRQ-HLLBOEOZSA-N 2 2 298.471 2.676 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[NH+]1CCCCCC1)[NH2+]C ZINC000045377445 175367159 /nfs/dbraw/zinc/36/71/59/175367159.db2.gz LZZYVCGRZNGUCK-INIZCTEOSA-N 2 2 284.444 2.574 10 0 CFAELP COC(=O)[C@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH2+]C1CC1 ZINC000045379760 175368985 /nfs/dbraw/zinc/36/89/85/175368985.db2.gz HYZDAYLQVJKMRP-VBQJREDUSA-N 2 2 296.455 2.713 10 0 CFAELP COC(=O)[C@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH2+]C1CC1 ZINC000045379760 175368987 /nfs/dbraw/zinc/36/89/87/175368987.db2.gz HYZDAYLQVJKMRP-VBQJREDUSA-N 2 2 296.455 2.713 10 0 CFAELP CC[NH2+][C@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045379725 175369000 /nfs/dbraw/zinc/36/90/00/175369000.db2.gz UASFCYKALHAIKH-YQQAZPJKSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@H+](C)[C@@H](C)CC)[NH2+]C1CC1 ZINC000045381342 175369938 /nfs/dbraw/zinc/36/99/38/175369938.db2.gz PUKDLLDPTJLXMT-YOEHRIQHSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@@H+](C)[C@@H](C)CC)[NH2+]C1CC1 ZINC000045381342 175369939 /nfs/dbraw/zinc/36/99/39/175369939.db2.gz PUKDLLDPTJLXMT-YOEHRIQHSA-N 2 2 298.471 2.961 10 0 CFAELP CCC[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC)C1CC1 ZINC000045387497 175372686 /nfs/dbraw/zinc/37/26/86/175372686.db2.gz MGAGIZAOLYVFTN-QGZVFWFLSA-N 2 2 296.455 2.715 10 0 CFAELP CCC[N@@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC)C1CC1 ZINC000045387497 175372687 /nfs/dbraw/zinc/37/26/87/175372687.db2.gz MGAGIZAOLYVFTN-QGZVFWFLSA-N 2 2 296.455 2.715 10 0 CFAELP CCC(CC)[N@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000045391495 175374408 /nfs/dbraw/zinc/37/44/08/175374408.db2.gz JQEKEAHRRIJRPV-KRWDZBQOSA-N 2 2 298.471 2.961 10 0 CFAELP CCC(CC)[N@@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000045391495 175374409 /nfs/dbraw/zinc/37/44/09/175374409.db2.gz JQEKEAHRRIJRPV-KRWDZBQOSA-N 2 2 298.471 2.961 10 0 CFAELP CCCc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccc(C)cc2)[nH+]1 ZINC000070455792 175940287 /nfs/dbraw/zinc/94/02/87/175940287.db2.gz MLKLPICZTRXYML-OAHLLOKOSA-N 2 2 296.418 2.942 10 0 CFAELP CCc1cccc2c(C[N@H+](C)[C@@H]3CC[NH2+]C3)c[nH]c21 ZINC000071309793 176116955 /nfs/dbraw/zinc/11/69/55/176116955.db2.gz FXFGNZOBLAAEFT-CQSZACIVSA-N 2 2 257.381 2.524 10 0 CFAELP CCc1cccc2c(C[N@@H+](C)[C@@H]3CC[NH2+]C3)c[nH]c21 ZINC000071309793 176116956 /nfs/dbraw/zinc/11/69/56/176116956.db2.gz FXFGNZOBLAAEFT-CQSZACIVSA-N 2 2 257.381 2.524 10 0 CFAELP CC[N@H+](CCSc1ccc(C)cc1)[C@@H]1CC[NH2+]C1 ZINC000071313898 176120656 /nfs/dbraw/zinc/12/06/56/176120656.db2.gz CFQZCPVBTKPYIT-CQSZACIVSA-N 2 2 264.438 2.771 10 0 CFAELP CC[N@@H+](CCSc1ccc(C)cc1)[C@@H]1CC[NH2+]C1 ZINC000071313898 176120657 /nfs/dbraw/zinc/12/06/57/176120657.db2.gz CFQZCPVBTKPYIT-CQSZACIVSA-N 2 2 264.438 2.771 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000313325070 270290542 /nfs/dbraw/zinc/29/05/42/270290542.db2.gz KJYQXKMVHYXAFY-HUUCEWRRSA-N 2 2 267.376 2.731 10 0 CFAELP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1F ZINC000396572314 270315134 /nfs/dbraw/zinc/31/51/34/270315134.db2.gz YNXLAUODEQMPMN-COPLHBTASA-N 2 2 266.360 2.625 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000179403386 276167593 /nfs/dbraw/zinc/16/75/93/276167593.db2.gz GEYGUJNKQPURSU-LSDHHAIUSA-N 2 2 275.440 2.888 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000179403386 276167594 /nfs/dbraw/zinc/16/75/94/276167594.db2.gz GEYGUJNKQPURSU-LSDHHAIUSA-N 2 2 275.440 2.888 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(OC)cc32)C1 ZINC000092836641 276178806 /nfs/dbraw/zinc/17/88/06/276178806.db2.gz XHMCPQZKKDIJAX-WMLDXEAASA-N 2 2 274.408 2.756 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(OC)cc32)C1 ZINC000092836641 276178808 /nfs/dbraw/zinc/17/88/08/276178808.db2.gz XHMCPQZKKDIJAX-WMLDXEAASA-N 2 2 274.408 2.756 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000414347961 276217179 /nfs/dbraw/zinc/21/71/79/276217179.db2.gz RMLDJNXPFHNJHS-WCQYABFASA-N 2 2 260.372 2.884 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000414347961 276217180 /nfs/dbraw/zinc/21/71/80/276217180.db2.gz RMLDJNXPFHNJHS-WCQYABFASA-N 2 2 260.372 2.884 10 0 CFAELP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000295382046 278179928 /nfs/dbraw/zinc/17/99/28/278179928.db2.gz APYOZRSBFJILMD-JYYAWHABSA-N 2 2 276.424 2.662 10 0 CFAELP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000295382046 278179929 /nfs/dbraw/zinc/17/99/29/278179929.db2.gz APYOZRSBFJILMD-JYYAWHABSA-N 2 2 276.424 2.662 10 0 CFAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccc(F)c(F)c1 ZINC000396683290 281196982 /nfs/dbraw/zinc/19/69/82/281196982.db2.gz WFYQSGYJQQUGCZ-BHDSKKPTSA-N 2 2 254.324 2.756 10 0 CFAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1COC(C)(C)C1 ZINC000396855228 281197681 /nfs/dbraw/zinc/19/76/81/281197681.db2.gz PHTCWFJRLDMQKD-GOEBONIOSA-N 2 2 276.424 2.664 10 0 CFAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1COC(C)(C)C1 ZINC000396855228 281197682 /nfs/dbraw/zinc/19/76/82/281197682.db2.gz PHTCWFJRLDMQKD-GOEBONIOSA-N 2 2 276.424 2.664 10 0 CFAELP COc1ccccc1C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000154637271 295365801 /nfs/dbraw/zinc/36/58/01/295365801.db2.gz XHILDLQNOZPHNN-IRXDYDNUSA-N 2 2 290.451 2.946 10 0 CFAELP COc1ccccc1C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C(C)C ZINC000154637271 295365802 /nfs/dbraw/zinc/36/58/02/295365802.db2.gz XHILDLQNOZPHNN-IRXDYDNUSA-N 2 2 290.451 2.946 10 0 CFAELP CCC[C@@H](CC)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000181935086 323834727 /nfs/dbraw/zinc/83/47/27/323834727.db2.gz HTSYLZRSWQJRAM-KGLIPLIRSA-N 2 2 291.443 2.655 10 0 CFAELP [NH3+]CC[C@H](Nc1ccc2ccccc2[nH+]1)C(F)F ZINC000383361827 324438829 /nfs/dbraw/zinc/43/88/29/324438829.db2.gz DQFOLMRYABLLRX-NSHDSACASA-N 2 2 251.280 2.629 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N[C@@H](CC[NH3+])C(F)F ZINC000383511258 324440678 /nfs/dbraw/zinc/44/06/78/324440678.db2.gz SGTPOQISIFSULP-LBPRGKRZSA-N 2 2 265.307 2.938 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)n1c(N)[nH+]c2c1cccc2F ZINC000049221192 519794170 /nfs/dbraw/zinc/79/41/70/519794170.db2.gz SUHGSWGYSQKSEP-GFCCVEGCSA-N 2 2 264.348 2.516 10 0 CFAELP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)C1 ZINC000049150116 519853578 /nfs/dbraw/zinc/85/35/78/519853578.db2.gz GXJSXNUDKXHIIO-BBWFWOEESA-N 3 2 281.488 2.571 10 0 CFAELP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)C1 ZINC000049150116 519853579 /nfs/dbraw/zinc/85/35/79/519853579.db2.gz GXJSXNUDKXHIIO-BBWFWOEESA-N 3 2 281.488 2.571 10 0 CFAELP CC[N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000050885455 521315436 /nfs/dbraw/zinc/31/54/36/521315436.db2.gz CLELURBVJFYWTI-UHFFFAOYSA-N 2 2 254.324 2.539 10 0 CFAELP CC[N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000050885455 521315447 /nfs/dbraw/zinc/31/54/47/521315447.db2.gz CLELURBVJFYWTI-UHFFFAOYSA-N 2 2 254.324 2.539 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000070356775 519342009 /nfs/dbraw/zinc/34/20/09/519342009.db2.gz IBCGIDJHUJUGFC-OAGGEKHMSA-N 2 2 270.461 2.756 10 0 CFAELP CC(C)C[C@H](C[NH2+][C@@H](C)Cc1ccco1)[NH+](C)C ZINC000062769806 519353033 /nfs/dbraw/zinc/35/30/33/519353033.db2.gz CAXRNPHDORSQNG-UONOGXRCSA-N 2 2 252.402 2.777 10 0 CFAELP CC(C)[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417351 519722021 /nfs/dbraw/zinc/72/20/21/519722021.db2.gz DWGSSWYLUYRFLL-MRXNPFEDSA-N 2 2 275.440 2.585 10 0 CFAELP CC(C)[NH2+]C[C@@H](C)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374693 519722679 /nfs/dbraw/zinc/72/26/79/519722679.db2.gz IXTIWTXJSWCGKR-OAHLLOKOSA-N 2 2 293.430 2.582 10 0 CFAELP CCC[NH2+][C@@H](CC[C@H]1CCCCO1)Cc1[nH]cc[nH+]1 ZINC000069392535 520006474 /nfs/dbraw/zinc/00/64/74/520006474.db2.gz AQFDNWPKBSQDJV-UONOGXRCSA-N 2 2 265.401 2.670 10 0 CFAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc2c(c1)CCO2 ZINC000050892170 520088471 /nfs/dbraw/zinc/08/84/71/520088471.db2.gz GQWPRMBUATWKHG-CQSZACIVSA-N 2 2 271.364 2.628 10 0 CFAELP CCCO[C@@H]1CCC[N@@H+]([C@@H](C)C[NH2+]C(C)(C)C)C1 ZINC000052371495 520274020 /nfs/dbraw/zinc/27/40/20/520274020.db2.gz JTHFSTZQCHPNFW-UONOGXRCSA-N 2 2 256.434 2.654 10 0 CFAELP CCCO[C@@H]1CCC[N@H+]([C@@H](C)C[NH2+]C(C)(C)C)C1 ZINC000052371495 520274024 /nfs/dbraw/zinc/27/40/24/520274024.db2.gz JTHFSTZQCHPNFW-UONOGXRCSA-N 2 2 256.434 2.654 10 0 CFAELP CC[N@H+](CC1CC1)[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000069237115 520966171 /nfs/dbraw/zinc/96/61/71/520966171.db2.gz DFAYKOLOLDTJHK-ABAIWWIYSA-N 2 2 250.361 2.946 10 0 CFAELP CC[N@@H+](CC1CC1)[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000069237115 520966178 /nfs/dbraw/zinc/96/61/78/520966178.db2.gz DFAYKOLOLDTJHK-ABAIWWIYSA-N 2 2 250.361 2.946 10 0 CFAELP CC[N@H+](CC[NH2+]CCCC(C)C)C[C@@H]1CCCO1 ZINC000053425052 521076321 /nfs/dbraw/zinc/07/63/21/521076321.db2.gz MMUFEYAWNMBNSC-HNNXBMFYSA-N 2 2 256.434 2.513 10 0 CFAELP CC[N@@H+](CC[NH2+]CCCC(C)C)C[C@@H]1CCCO1 ZINC000053425052 521076332 /nfs/dbraw/zinc/07/63/32/521076332.db2.gz MMUFEYAWNMBNSC-HNNXBMFYSA-N 2 2 256.434 2.513 10 0 CFAELP CC[N@H+](CCOC)[C@H](C[NH3+])c1csc2ccccc12 ZINC000054464403 521137890 /nfs/dbraw/zinc/13/78/90/521137890.db2.gz MRSQRBUVSSESII-CQSZACIVSA-N 2 2 278.421 2.869 10 0 CFAELP CC[N@@H+](CCOC)[C@H](C[NH3+])c1csc2ccccc12 ZINC000054464403 521137896 /nfs/dbraw/zinc/13/78/96/521137896.db2.gz MRSQRBUVSSESII-CQSZACIVSA-N 2 2 278.421 2.869 10 0 CFAELP COc1c(C)c[nH+]c(COCC[C@@H]2CCCC[NH2+]2)c1C ZINC000051861741 521815587 /nfs/dbraw/zinc/81/55/87/521815587.db2.gz YYFVNNGPUYFOJY-AWEZNQCLSA-N 2 2 278.396 2.756 10 0 CFAELP CC[C@H](C[NH2+]C(C)C)[N@H+](C)Cc1cccc(OC)c1 ZINC000052372885 522190459 /nfs/dbraw/zinc/19/04/59/522190459.db2.gz YLLMRWMASGPAOP-OAHLLOKOSA-N 2 2 264.413 2.904 10 0 CFAELP CC[C@H](C[NH2+]C(C)C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372885 522190465 /nfs/dbraw/zinc/19/04/65/522190465.db2.gz YLLMRWMASGPAOP-OAHLLOKOSA-N 2 2 264.413 2.904 10 0 CFAELP CC[C@H](C[NH2+]C1CC1)[N@H+](C)Cc1cccc(OC)c1 ZINC000052372887 522192047 /nfs/dbraw/zinc/19/20/47/522192047.db2.gz VHHOMBVHRZJMCK-OAHLLOKOSA-N 2 2 262.397 2.658 10 0 CFAELP CC[C@H](C[NH2+]C1CC1)[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372887 522192056 /nfs/dbraw/zinc/19/20/56/522192056.db2.gz VHHOMBVHRZJMCK-OAHLLOKOSA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cccc(OC(C)C)c1 ZINC000061666271 522475179 /nfs/dbraw/zinc/47/51/79/522475179.db2.gz ZRDRETPQZLKKAQ-CQSZACIVSA-N 2 2 259.353 2.700 10 0 CFAELP C[N@H+](Cc1ccccc1)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883216 523343530 /nfs/dbraw/zinc/34/35/30/523343530.db2.gz IQNOEDHYRVWGFG-QGZVFWFLSA-N 2 2 254.377 2.993 10 0 CFAELP C[N@@H+](Cc1ccccc1)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883216 523343539 /nfs/dbraw/zinc/34/35/39/523343539.db2.gz IQNOEDHYRVWGFG-QGZVFWFLSA-N 2 2 254.377 2.993 10 0 CFAELP C[C@@H]1CCCC[C@H]1[N@H+](C)[C@]1(C[NH3+])CCCSC1 ZINC000061590241 524163583 /nfs/dbraw/zinc/16/35/83/524163583.db2.gz LSKZYMIWMUVQRO-MCIONIFRSA-N 2 2 256.459 2.721 10 0 CFAELP C[C@@H]1CCCC[C@H]1[N@@H+](C)[C@]1(C[NH3+])CCCSC1 ZINC000061590241 524163589 /nfs/dbraw/zinc/16/35/89/524163589.db2.gz LSKZYMIWMUVQRO-MCIONIFRSA-N 2 2 256.459 2.721 10 0 CFAELP C[C@@H](CCC[NH2+]C(C)(C)C)[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419888 524457798 /nfs/dbraw/zinc/45/77/98/524457798.db2.gz XPSYQMNQDNKWAC-AWEZNQCLSA-N 3 2 269.477 2.569 10 0 CFAELP C[C@@H](CCC[NH2+]C(C)(C)C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419888 524457806 /nfs/dbraw/zinc/45/78/06/524457806.db2.gz XPSYQMNQDNKWAC-AWEZNQCLSA-N 3 2 269.477 2.569 10 0 CFAELP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)CC[C@H](C)[NH2+]1 ZINC000051017765 524509152 /nfs/dbraw/zinc/50/91/52/524509152.db2.gz WLMNGZSMKZWTDQ-TXEJJXNPSA-N 2 2 268.351 2.927 10 0 CFAELP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)CC[C@H](C)[NH2+]1 ZINC000051017765 524509161 /nfs/dbraw/zinc/50/91/61/524509161.db2.gz WLMNGZSMKZWTDQ-TXEJJXNPSA-N 2 2 268.351 2.927 10 0 CFAELP C[C@@H]1CC[NH+](Cc2ccc(F)cc2F)CC[C@@H](C)[NH2+]1 ZINC000051017767 524509475 /nfs/dbraw/zinc/50/94/75/524509475.db2.gz WLMNGZSMKZWTDQ-VXGBXAGGSA-N 2 2 268.351 2.927 10 0 CFAELP C[C@@H](C[NH+]1CCCCC1)n1c(N)[nH+]c2c1cccc2F ZINC000049502332 524609304 /nfs/dbraw/zinc/60/93/04/524609304.db2.gz UBVKYTGBHASAFI-NSHDSACASA-N 2 2 276.359 2.805 10 0 CFAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@H+](C)CCc1ccccn1 ZINC000050578329 525009391 /nfs/dbraw/zinc/00/93/91/525009391.db2.gz CKAMDNPFWYWCOA-KRWDZBQOSA-N 2 2 287.382 2.703 10 0 CFAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@@H+](C)CCc1ccccn1 ZINC000050578329 525009405 /nfs/dbraw/zinc/00/94/05/525009405.db2.gz CKAMDNPFWYWCOA-KRWDZBQOSA-N 2 2 287.382 2.703 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000050596406 525179313 /nfs/dbraw/zinc/17/93/13/525179313.db2.gz AVEXDFKSDHLSAO-DZGCQCFKSA-N 2 2 262.397 2.878 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+]2CCCC[C@@H]2C)cc1C ZINC000050596406 525179320 /nfs/dbraw/zinc/17/93/20/525179320.db2.gz AVEXDFKSDHLSAO-DZGCQCFKSA-N 2 2 262.397 2.878 10 0 CFAELP COc1ccc([C@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)cc1 ZINC000049149460 525329843 /nfs/dbraw/zinc/32/98/43/525329843.db2.gz SJIQEELRHCOXDI-KBPBESRZSA-N 2 2 262.397 2.830 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+](C)CC(C)C)cc1C ZINC000050596573 525351253 /nfs/dbraw/zinc/35/12/53/525351253.db2.gz LRIOANOVGRLVDY-AWEZNQCLSA-N 2 2 250.386 2.591 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)CC(C)C)cc1C ZINC000050596573 525351264 /nfs/dbraw/zinc/35/12/64/525351264.db2.gz LRIOANOVGRLVDY-AWEZNQCLSA-N 2 2 250.386 2.591 10 0 CFAELP Cc1occc1C[N@@H+](C)C[C@](C)([NH3+])c1ccccc1 ZINC000052883454 526823365 /nfs/dbraw/zinc/82/33/65/526823365.db2.gz UPZKPTLGFVLMJP-INIZCTEOSA-N 2 2 258.365 2.894 10 0 CFAELP Cc1occc1C[N@H+](C)C[C@](C)([NH3+])c1ccccc1 ZINC000052883454 526823371 /nfs/dbraw/zinc/82/33/71/526823371.db2.gz UPZKPTLGFVLMJP-INIZCTEOSA-N 2 2 258.365 2.894 10 0 CFAELP NNc1[nH+]cccc1C[N@H+](Cc1ccsc1)C1CC1 ZINC000052720383 527287422 /nfs/dbraw/zinc/28/74/22/527287422.db2.gz ZANNXWZRJLLXER-UHFFFAOYSA-N 2 2 274.393 2.593 10 0 CFAELP NNc1[nH+]cccc1C[N@@H+](Cc1ccsc1)C1CC1 ZINC000052720383 527287425 /nfs/dbraw/zinc/28/74/25/527287425.db2.gz ZANNXWZRJLLXER-UHFFFAOYSA-N 2 2 274.393 2.593 10 0 CFAELP Cc1nc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000360519835 527325417 /nfs/dbraw/zinc/32/54/17/527325417.db2.gz DXZRIMQWGRJUJU-QGZVFWFLSA-N 2 2 296.418 2.674 10 0 CFAELP Cc1nc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000360519835 527325424 /nfs/dbraw/zinc/32/54/24/527325424.db2.gz DXZRIMQWGRJUJU-QGZVFWFLSA-N 2 2 296.418 2.674 10 0 CFAELP OCCC[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000052762434 527546902 /nfs/dbraw/zinc/54/69/02/527546902.db2.gz KYHXVDYUPNOHBX-MRXNPFEDSA-N 2 2 285.391 2.609 10 0 CFAELP OCCC[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000052762434 527546905 /nfs/dbraw/zinc/54/69/05/527546905.db2.gz KYHXVDYUPNOHBX-MRXNPFEDSA-N 2 2 285.391 2.609 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000171746648 623241470 /nfs/dbraw/zinc/24/14/70/623241470.db2.gz ZRVNPDXGFWGOMI-ZDUSSCGKSA-N 2 2 265.477 2.960 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000171746648 623241472 /nfs/dbraw/zinc/24/14/72/623241472.db2.gz ZRVNPDXGFWGOMI-ZDUSSCGKSA-N 2 2 265.477 2.960 10 0 CFAELP OC1(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCCCC1 ZINC000195519389 650756339 /nfs/dbraw/zinc/75/63/39/650756339.db2.gz BMJORPORPZNJCM-HNNXBMFYSA-N 2 2 289.423 2.511 10 0 CFAELP OC1(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCCCC1 ZINC000195519389 650756341 /nfs/dbraw/zinc/75/63/41/650756341.db2.gz BMJORPORPZNJCM-HNNXBMFYSA-N 2 2 289.423 2.511 10 0 CFAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000133620922 646196060 /nfs/dbraw/zinc/19/60/60/646196060.db2.gz CQYYKUHKWIMHEK-OUAUKWLOSA-N 2 2 288.844 2.819 10 0 CFAELP CCC[NH2+]Cc1sc(C[NH+](C)C)nc1C(C)C ZINC000082431498 178009582 /nfs/dbraw/zinc/00/95/82/178009582.db2.gz JINBVPPNOOWOHA-UHFFFAOYSA-N 2 2 255.431 2.828 10 0 CFAELP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000096959622 185142629 /nfs/dbraw/zinc/14/26/29/185142629.db2.gz GXGGISPPKZQAAN-SJORKVTESA-N 2 2 252.361 2.961 10 0 CFAELP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000096959622 185142630 /nfs/dbraw/zinc/14/26/30/185142630.db2.gz GXGGISPPKZQAAN-SJORKVTESA-N 2 2 252.361 2.961 10 0 CFAELP Cc1cc2ccccc2[nH+]c1NCC[C@@H]1CC[NH2+]C1 ZINC000110797942 347750074 /nfs/dbraw/zinc/75/00/74/347750074.db2.gz JEQGDLXVOKQXJC-ZDUSSCGKSA-N 2 2 255.365 2.955 10 0 CFAELP COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2[NH3+])cc1 ZINC000118648876 347798106 /nfs/dbraw/zinc/79/81/06/347798106.db2.gz YKRVJJLOBWHORJ-ZWKOTPCHSA-N 2 2 282.387 2.622 10 0 CFAELP COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2[NH3+])cc1 ZINC000118648876 347798107 /nfs/dbraw/zinc/79/81/07/347798107.db2.gz YKRVJJLOBWHORJ-ZWKOTPCHSA-N 2 2 282.387 2.622 10 0 CFAELP C[C@@H]([NH3+])C([NH3+])(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000140286541 347924896 /nfs/dbraw/zinc/92/48/96/347924896.db2.gz KAYMSRPUTVWYSP-SNVBAGLBSA-N 2 2 262.303 2.514 10 0 CFAELP C[C@H]1C[NH2+]C2(CC[NH+](Cc3ccccc3)CC2)SC1 ZINC000159169724 348011565 /nfs/dbraw/zinc/01/15/65/348011565.db2.gz GIEWJJYYWBHDTH-AWEZNQCLSA-N 2 2 276.449 2.951 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000086834821 179349569 /nfs/dbraw/zinc/34/95/69/179349569.db2.gz PBDCUZVBSURDJZ-MRXNPFEDSA-N 3 2 269.477 2.569 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000086834821 179349572 /nfs/dbraw/zinc/34/95/72/179349572.db2.gz PBDCUZVBSURDJZ-MRXNPFEDSA-N 3 2 269.477 2.569 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000086845080 179354594 /nfs/dbraw/zinc/35/45/94/179354594.db2.gz YEJKUNXNWZDTAO-AWEZNQCLSA-N 2 2 268.351 2.929 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000086845080 179354595 /nfs/dbraw/zinc/35/45/95/179354595.db2.gz YEJKUNXNWZDTAO-AWEZNQCLSA-N 2 2 268.351 2.929 10 0 CFAELP C[C@@H]1CSC(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)=[NH+]1 ZINC000307163932 348396849 /nfs/dbraw/zinc/39/68/49/348396849.db2.gz JCXDEZZGZOGIMD-IPYPFGDCSA-N 2 2 289.448 2.730 10 0 CFAELP C[C@@H]1CSC(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)=[NH+]1 ZINC000307163932 348396850 /nfs/dbraw/zinc/39/68/50/348396850.db2.gz JCXDEZZGZOGIMD-IPYPFGDCSA-N 2 2 289.448 2.730 10 0 CFAELP CCC[C@H]1C[N@H+](Cc2nn(C)c3ccccc23)CCC[NH2+]1 ZINC000089180335 179744859 /nfs/dbraw/zinc/74/48/59/179744859.db2.gz ZPULULXJSDCKMP-AWEZNQCLSA-N 2 2 286.423 2.537 10 0 CFAELP CCC[C@H]1C[N@@H+](Cc2nn(C)c3ccccc23)CCC[NH2+]1 ZINC000089180335 179744861 /nfs/dbraw/zinc/74/48/61/179744861.db2.gz ZPULULXJSDCKMP-AWEZNQCLSA-N 2 2 286.423 2.537 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCCCOC)C1 ZINC000105922478 186091588 /nfs/dbraw/zinc/09/15/88/186091588.db2.gz HRBYGUTZALMZIM-OAHLLOKOSA-N 2 2 279.428 2.899 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCCCOC)C1 ZINC000105922478 186091589 /nfs/dbraw/zinc/09/15/89/186091589.db2.gz HRBYGUTZALMZIM-OAHLLOKOSA-N 2 2 279.428 2.899 10 0 CFAELP CC(C)C[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C(C)C ZINC000601063027 350656815 /nfs/dbraw/zinc/65/68/15/350656815.db2.gz LMUXLKFWDCMCOR-GOSISDBHSA-N 2 2 292.467 2.846 10 0 CFAELP CC(C)C[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C(C)C ZINC000601063027 350656817 /nfs/dbraw/zinc/65/68/17/350656817.db2.gz LMUXLKFWDCMCOR-GOSISDBHSA-N 2 2 292.467 2.846 10 0 CFAELP CC(C)C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C(C)C ZINC000601063027 350656820 /nfs/dbraw/zinc/65/68/20/350656820.db2.gz LMUXLKFWDCMCOR-GOSISDBHSA-N 2 2 292.467 2.846 10 0 CFAELP CC(C)C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000601063027 350656822 /nfs/dbraw/zinc/65/68/22/350656822.db2.gz LMUXLKFWDCMCOR-GOSISDBHSA-N 2 2 292.467 2.846 10 0 CFAELP Cc1cnn(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000123913997 187114513 /nfs/dbraw/zinc/11/45/13/187114513.db2.gz PYKQFAAJEWHECB-HNNXBMFYSA-N 2 2 295.390 2.728 10 0 CFAELP CC(=O)Nc1ccccc1[C@H]1CCCCC[N@@H+]1CC[NH3+] ZINC000616606009 352381957 /nfs/dbraw/zinc/38/19/57/352381957.db2.gz VAVGMKSPBTXDIT-MRXNPFEDSA-N 2 2 275.396 2.521 10 0 CFAELP CC(=O)Nc1ccccc1[C@H]1CCCCC[N@H+]1CC[NH3+] ZINC000616606009 352381961 /nfs/dbraw/zinc/38/19/61/352381961.db2.gz VAVGMKSPBTXDIT-MRXNPFEDSA-N 2 2 275.396 2.521 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1cccc2ncccc21 ZINC000616615740 352385519 /nfs/dbraw/zinc/38/55/19/352385519.db2.gz AHWRNITYDAFCBZ-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1cccc2ncccc21 ZINC000616615740 352385523 /nfs/dbraw/zinc/38/55/23/352385523.db2.gz AHWRNITYDAFCBZ-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1ccc2ccncc2c1 ZINC000616615910 352385635 /nfs/dbraw/zinc/38/56/35/352385635.db2.gz FLHIVVPRDNFWSO-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1ccc2ccncc2c1 ZINC000616615910 352385638 /nfs/dbraw/zinc/38/56/38/352385638.db2.gz FLHIVVPRDNFWSO-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccccc2Cl)CC1 ZINC000616627678 352390549 /nfs/dbraw/zinc/39/05/49/352390549.db2.gz JELZTASRGBTPJL-LBPRGKRZSA-N 2 2 252.789 2.868 10 0 CFAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccccc2Cl)CC1 ZINC000616627678 352390551 /nfs/dbraw/zinc/39/05/51/352390551.db2.gz JELZTASRGBTPJL-LBPRGKRZSA-N 2 2 252.789 2.868 10 0 CFAELP COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000136080005 539878945 /nfs/dbraw/zinc/87/89/45/539878945.db2.gz LHOKFORHNDMXMJ-OAHLLOKOSA-N 2 2 271.364 2.556 10 0 CFAELP COc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000136080005 539878947 /nfs/dbraw/zinc/87/89/47/539878947.db2.gz LHOKFORHNDMXMJ-OAHLLOKOSA-N 2 2 271.364 2.556 10 0 CFAELP Fc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000136081446 539878721 /nfs/dbraw/zinc/87/87/21/539878721.db2.gz FEGKLAPWQXSWHI-OAHLLOKOSA-N 2 2 259.328 2.687 10 0 CFAELP Fc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000136081446 539878724 /nfs/dbraw/zinc/87/87/24/539878724.db2.gz FEGKLAPWQXSWHI-OAHLLOKOSA-N 2 2 259.328 2.687 10 0 CFAELP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000234771423 539990718 /nfs/dbraw/zinc/99/07/18/539990718.db2.gz BIWAQLAVRXHFHG-ZACQAIPSSA-N 2 2 276.424 2.837 10 0 CFAELP C[C@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)C[C@@H]1C[NH3+] ZINC000631840143 355603126 /nfs/dbraw/zinc/60/31/26/355603126.db2.gz PZMJPASJSNNQSB-JQWIXIFHSA-N 2 2 293.461 2.898 10 0 CFAELP C[C@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)C[C@@H]1C[NH3+] ZINC000631840143 355603128 /nfs/dbraw/zinc/60/31/28/355603128.db2.gz PZMJPASJSNNQSB-JQWIXIFHSA-N 2 2 293.461 2.898 10 0 CFAELP CC(C)c1cc(N[C@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000045955176 373038492 /nfs/dbraw/zinc/03/84/92/373038492.db2.gz LPUIJEGLTNEZDA-LBPRGKRZSA-N 2 2 262.401 2.887 10 0 CFAELP CC(C)c1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccccc2)[nH+]1 ZINC000070455774 374180174 /nfs/dbraw/zinc/18/01/74/374180174.db2.gz RXLJHGTYPFGTSZ-CQSZACIVSA-N 2 2 282.391 2.804 10 0 CFAELP Cc1ccc(-c2nc(NC3CC[NH2+]CC3)cc(C)[nH+]2)cc1 ZINC000070451690 374178157 /nfs/dbraw/zinc/17/81/57/374178157.db2.gz VXCIWYSRQWREHY-UHFFFAOYSA-N 2 2 282.391 2.924 10 0 CFAELP Cc1ccc(-c2nc(N3CCC([NH3+])CC3)cc(C)[nH+]2)cc1 ZINC000070451801 374178422 /nfs/dbraw/zinc/17/84/22/374178422.db2.gz RHGYCQUMHPMWNF-UHFFFAOYSA-N 2 2 282.391 2.688 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000070939025 374207045 /nfs/dbraw/zinc/20/70/45/374207045.db2.gz MQNFVBQQVQJFMN-AWEZNQCLSA-N 2 2 257.381 2.742 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000070939025 374207053 /nfs/dbraw/zinc/20/70/53/374207053.db2.gz MQNFVBQQVQJFMN-AWEZNQCLSA-N 2 2 257.381 2.742 10 0 CFAELP CCN(CC)c1ccc(NC2CCC([NH3+])CC2)c[nH+]1 ZINC000094079279 375340525 /nfs/dbraw/zinc/34/05/25/375340525.db2.gz KPCWKOUEWMIBIG-UHFFFAOYSA-N 2 2 262.401 2.610 10 0 CFAELP OCC[C@@H]([NH2+]C1CC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095078792 375408723 /nfs/dbraw/zinc/40/87/23/375408723.db2.gz YSMUWALXYCLLEY-MSOLQXFVSA-N 2 2 288.435 2.544 10 0 CFAELP OCC[C@@H]([NH2+]C1CC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095078792 375408727 /nfs/dbraw/zinc/40/87/27/375408727.db2.gz YSMUWALXYCLLEY-MSOLQXFVSA-N 2 2 288.435 2.544 10 0 CFAELP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000037979922 284727079 /nfs/dbraw/zinc/72/70/79/284727079.db2.gz FWBWYVASXVWJLH-SWLSCSKDSA-N 2 2 284.831 2.693 10 0 CFAELP Cc1cc[nH+]c(N[C@@H]2CC[C@H](C[NH3+])C2)c1Br ZINC000335581884 379554008 /nfs/dbraw/zinc/55/40/08/379554008.db2.gz NGUIZYLGWIOSOC-VHSXEESVSA-N 2 2 284.201 2.692 10 0 CFAELP Brc1sccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335655983 379670479 /nfs/dbraw/zinc/67/04/79/379670479.db2.gz GNIWJXCLBZKODB-JTQLQIEISA-N 2 2 289.242 2.742 10 0 CFAELP COC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000174011013 379814534 /nfs/dbraw/zinc/81/45/34/379814534.db2.gz JWACQXKPBSQWOJ-DOTOQJQBSA-N 2 2 276.424 2.666 10 0 CFAELP COC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174011013 379814542 /nfs/dbraw/zinc/81/45/42/379814542.db2.gz JWACQXKPBSQWOJ-DOTOQJQBSA-N 2 2 276.424 2.666 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnc(Cl)s1 ZINC000175462309 380068021 /nfs/dbraw/zinc/06/80/21/380068021.db2.gz WETNNMHBYNUXGW-LLVKDONJSA-N 2 2 296.827 2.966 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnc(Cl)s1 ZINC000175462309 380068025 /nfs/dbraw/zinc/06/80/25/380068025.db2.gz WETNNMHBYNUXGW-LLVKDONJSA-N 2 2 296.827 2.966 10 0 CFAELP C[C@H]([NH2+]Cc1ccsc1Br)[C@H]1CC[NH2+]C1 ZINC000400730027 380864625 /nfs/dbraw/zinc/86/46/25/380864625.db2.gz QIAORUKOPBJMQE-IUCAKERBSA-N 2 2 289.242 2.598 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000181983857 380956856 /nfs/dbraw/zinc/95/68/56/380956856.db2.gz MRKMDQKTUWOPIE-GUYCJALGSA-N 2 2 289.423 2.780 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000181983857 380956868 /nfs/dbraw/zinc/95/68/68/380956868.db2.gz MRKMDQKTUWOPIE-GUYCJALGSA-N 2 2 289.423 2.780 10 0 CFAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2c(C)cccn12 ZINC000184055218 381363664 /nfs/dbraw/zinc/36/36/64/381363664.db2.gz VBIJLWXNIRUZCM-JKSUJKDBSA-N 2 2 298.434 2.701 10 0 CFAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2c(C)cccn12 ZINC000184055218 381363668 /nfs/dbraw/zinc/36/36/68/381363668.db2.gz VBIJLWXNIRUZCM-JKSUJKDBSA-N 2 2 298.434 2.701 10 0 CFAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2c(C)cccn12 ZINC000184055201 381364541 /nfs/dbraw/zinc/36/45/41/381364541.db2.gz VBIJLWXNIRUZCM-HZPDHXFCSA-N 2 2 298.434 2.701 10 0 CFAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2c(C)cccn12 ZINC000184055201 381364551 /nfs/dbraw/zinc/36/45/51/381364551.db2.gz VBIJLWXNIRUZCM-HZPDHXFCSA-N 2 2 298.434 2.701 10 0 CFAELP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000185223114 381568249 /nfs/dbraw/zinc/56/82/49/381568249.db2.gz DUPIYWWKHLXRIR-INIZCTEOSA-N 2 2 273.355 2.995 10 0 CFAELP Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000185223114 381568256 /nfs/dbraw/zinc/56/82/56/381568256.db2.gz DUPIYWWKHLXRIR-INIZCTEOSA-N 2 2 273.355 2.995 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1F ZINC000358404928 382602039 /nfs/dbraw/zinc/60/20/39/382602039.db2.gz QTCQXNBXBOOPSF-XUJVJEKNSA-N 2 2 250.361 2.735 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1F ZINC000358404928 382602042 /nfs/dbraw/zinc/60/20/42/382602042.db2.gz QTCQXNBXBOOPSF-XUJVJEKNSA-N 2 2 250.361 2.735 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000389268979 382612423 /nfs/dbraw/zinc/61/24/23/382612423.db2.gz QOXXSVQNMUJLTC-PBHICJAKSA-N 2 2 274.408 2.756 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000389268979 382612425 /nfs/dbraw/zinc/61/24/25/382612425.db2.gz QOXXSVQNMUJLTC-PBHICJAKSA-N 2 2 274.408 2.756 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000389224723 382613335 /nfs/dbraw/zinc/61/33/35/382613335.db2.gz GRYVPYIAZWMGIX-INIZCTEOSA-N 2 2 269.392 2.727 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000389224723 382613336 /nfs/dbraw/zinc/61/33/36/382613336.db2.gz GRYVPYIAZWMGIX-INIZCTEOSA-N 2 2 269.392 2.727 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000389544623 382615077 /nfs/dbraw/zinc/61/50/77/382615077.db2.gz LPJCMXRJRUKWHA-HWOWSKLDSA-N 2 2 258.409 2.925 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000389544623 382615078 /nfs/dbraw/zinc/61/50/78/382615078.db2.gz LPJCMXRJRUKWHA-HWOWSKLDSA-N 2 2 258.409 2.925 10 0 CFAELP C[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000390632942 382617940 /nfs/dbraw/zinc/61/79/40/382617940.db2.gz BSKXGYNMKUIKQY-GOEBONIOSA-N 2 2 278.440 2.504 10 0 CFAELP C[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000390632942 382617941 /nfs/dbraw/zinc/61/79/41/382617941.db2.gz BSKXGYNMKUIKQY-GOEBONIOSA-N 2 2 278.440 2.504 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cncc(C)c2)C1 ZINC000189878026 382643582 /nfs/dbraw/zinc/64/35/82/382643582.db2.gz RCKILWYHGURDQQ-INIZCTEOSA-N 2 2 284.407 2.986 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cncc(C)c2)C1 ZINC000189878026 382643583 /nfs/dbraw/zinc/64/35/83/382643583.db2.gz RCKILWYHGURDQQ-INIZCTEOSA-N 2 2 284.407 2.986 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cncc(C)c2)C1 ZINC000189878007 382643633 /nfs/dbraw/zinc/64/36/33/382643633.db2.gz RCKILWYHGURDQQ-MRXNPFEDSA-N 2 2 284.407 2.986 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cncc(C)c2)C1 ZINC000189878007 382643634 /nfs/dbraw/zinc/64/36/34/382643634.db2.gz RCKILWYHGURDQQ-MRXNPFEDSA-N 2 2 284.407 2.986 10 0 CFAELP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)o1 ZINC000190474117 382670071 /nfs/dbraw/zinc/67/00/71/382670071.db2.gz YUNNLWOWOCIERZ-KRWDZBQOSA-N 2 2 299.418 2.937 10 0 CFAELP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)o1 ZINC000190474117 382670072 /nfs/dbraw/zinc/67/00/72/382670072.db2.gz YUNNLWOWOCIERZ-KRWDZBQOSA-N 2 2 299.418 2.937 10 0 CFAELP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)o1 ZINC000190474117 382670073 /nfs/dbraw/zinc/67/00/73/382670073.db2.gz YUNNLWOWOCIERZ-KRWDZBQOSA-N 2 2 299.418 2.937 10 0 CFAELP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)o1 ZINC000190474117 382670074 /nfs/dbraw/zinc/67/00/74/382670074.db2.gz YUNNLWOWOCIERZ-KRWDZBQOSA-N 2 2 299.418 2.937 10 0 CFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC000195258937 382765265 /nfs/dbraw/zinc/76/52/65/382765265.db2.gz OVVNUNKTUZVGDR-MASHWEEQSA-N 2 2 299.871 2.958 10 0 CFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC000195258937 382765267 /nfs/dbraw/zinc/76/52/67/382765267.db2.gz OVVNUNKTUZVGDR-MASHWEEQSA-N 2 2 299.871 2.958 10 0 CFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000195258937 382765272 /nfs/dbraw/zinc/76/52/72/382765272.db2.gz OVVNUNKTUZVGDR-MASHWEEQSA-N 2 2 299.871 2.958 10 0 CFAELP Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000195438848 382768024 /nfs/dbraw/zinc/76/80/24/382768024.db2.gz RFTJKJFDENKLGO-HNNXBMFYSA-N 2 2 296.842 2.585 10 0 CFAELP C[N@H+](Cc1cccc(F)c1F)[C@@H]1CCC[NH2+]CC1 ZINC000231461325 382864947 /nfs/dbraw/zinc/86/49/47/382864947.db2.gz PTYRLUYRHLZBDZ-GFCCVEGCSA-N 2 2 254.324 2.539 10 0 CFAELP C[N@@H+](Cc1cccc(F)c1F)[C@@H]1CCC[NH2+]CC1 ZINC000231461325 382864950 /nfs/dbraw/zinc/86/49/50/382864950.db2.gz PTYRLUYRHLZBDZ-GFCCVEGCSA-N 2 2 254.324 2.539 10 0 CFAELP Cc1cc[nH+]c(NC[C@@H]2CCC[NH2+]C2)c1Br ZINC000235935119 382890680 /nfs/dbraw/zinc/89/06/80/382890680.db2.gz MGEWLZDAXSTYFS-SNVBAGLBSA-N 2 2 284.201 2.564 10 0 CFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000247079900 383140593 /nfs/dbraw/zinc/14/05/93/383140593.db2.gz JDLVSMIWPSODEG-RHSMWYFYSA-N 2 2 286.419 2.781 10 0 CFAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000247079900 383140599 /nfs/dbraw/zinc/14/05/99/383140599.db2.gz JDLVSMIWPSODEG-RHSMWYFYSA-N 2 2 286.419 2.781 10 0 CFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000248035731 383207160 /nfs/dbraw/zinc/20/71/60/383207160.db2.gz RNYHLVJAJPCAHU-XOKHGSTOSA-N 2 2 258.409 2.992 10 0 CFAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000248035731 383207165 /nfs/dbraw/zinc/20/71/65/383207165.db2.gz RNYHLVJAJPCAHU-XOKHGSTOSA-N 2 2 258.409 2.992 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000250197608 383372901 /nfs/dbraw/zinc/37/29/01/383372901.db2.gz BBCBBWNYQXYRIJ-CVEARBPZSA-N 2 2 278.827 2.881 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000250197608 383372905 /nfs/dbraw/zinc/37/29/05/383372905.db2.gz BBCBBWNYQXYRIJ-CVEARBPZSA-N 2 2 278.827 2.881 10 0 CFAELP CC[C@@H](c1ccccc1)[N@H+](CC)Cc1noc(C[NH3+])n1 ZINC000262281285 383614469 /nfs/dbraw/zinc/61/44/69/383614469.db2.gz USCOBTZLQDFWPH-ZDUSSCGKSA-N 2 2 274.368 2.502 10 0 CFAELP CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1noc(C[NH3+])n1 ZINC000262281285 383614474 /nfs/dbraw/zinc/61/44/74/383614474.db2.gz USCOBTZLQDFWPH-ZDUSSCGKSA-N 2 2 274.368 2.502 10 0 CFAELP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000532511496 384038755 /nfs/dbraw/zinc/03/87/55/384038755.db2.gz TUAODYNKQOOPCZ-QCODTGAPSA-N 2 2 252.446 2.987 10 0 CFAELP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000532511496 384038765 /nfs/dbraw/zinc/03/87/65/384038765.db2.gz TUAODYNKQOOPCZ-QCODTGAPSA-N 2 2 252.446 2.987 10 0 CFAELP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000253193091 131141578 /nfs/dbraw/zinc/14/15/78/131141578.db2.gz OBRSZQNUMCYCBS-PVAVHDDUSA-N 2 2 258.409 2.549 10 0 CFAELP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000253193091 131141580 /nfs/dbraw/zinc/14/15/80/131141580.db2.gz OBRSZQNUMCYCBS-PVAVHDDUSA-N 2 2 258.409 2.549 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493889772 394334934 /nfs/dbraw/zinc/33/49/34/394334934.db2.gz YCSNMQAJZWFYNZ-AOCRQIFASA-N 2 2 288.435 2.808 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493889772 394334936 /nfs/dbraw/zinc/33/49/36/394334936.db2.gz YCSNMQAJZWFYNZ-AOCRQIFASA-N 2 2 288.435 2.808 10 0 CFAELP Fc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177101230 542998156 /nfs/dbraw/zinc/99/81/56/542998156.db2.gz SYAUBSUNKAEXFP-OAHLLOKOSA-N 2 2 259.328 2.687 10 0 CFAELP Fc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177101230 542998161 /nfs/dbraw/zinc/99/81/61/542998161.db2.gz SYAUBSUNKAEXFP-OAHLLOKOSA-N 2 2 259.328 2.687 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1F ZINC000400401462 292247391 /nfs/dbraw/zinc/24/73/91/292247391.db2.gz QAHMDOVGWULCQF-SLEUVZQESA-N 2 2 250.361 2.925 10 0 CFAELP CCOc1ccccc1[C@H](C[NH3+])[N@H+](C)CC(C)C ZINC000020226161 171090137 /nfs/dbraw/zinc/09/01/37/171090137.db2.gz HZDIFZGNWGTRLY-AWEZNQCLSA-N 2 2 250.386 2.673 10 0 CFAELP CCOc1ccccc1[C@H](C[NH3+])[N@@H+](C)CC(C)C ZINC000020226161 171090138 /nfs/dbraw/zinc/09/01/38/171090138.db2.gz HZDIFZGNWGTRLY-AWEZNQCLSA-N 2 2 250.386 2.673 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+](C)C2CCCCC2)cc1 ZINC000022172463 171368865 /nfs/dbraw/zinc/36/88/65/171368865.db2.gz GDZGYFKMFWJKCT-INIZCTEOSA-N 2 2 262.397 2.960 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)C2CCCCC2)cc1 ZINC000022172463 171368866 /nfs/dbraw/zinc/36/88/66/171368866.db2.gz GDZGYFKMFWJKCT-INIZCTEOSA-N 2 2 262.397 2.960 10 0 CFAELP [NH3+]C[C@H](Cc1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000022177824 171371577 /nfs/dbraw/zinc/37/15/77/171371577.db2.gz QMYFPADWENGTLP-HNNXBMFYSA-N 2 2 272.417 2.676 10 0 CFAELP [NH3+]C[C@H](Cc1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000022177824 171371578 /nfs/dbraw/zinc/37/15/78/171371578.db2.gz QMYFPADWENGTLP-HNNXBMFYSA-N 2 2 272.417 2.676 10 0 CFAELP CC(C)[N@H+](C)[C@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000022215204 171375304 /nfs/dbraw/zinc/37/53/04/171375304.db2.gz URSRRKWMFXZCME-GFCCVEGCSA-N 2 2 258.312 2.628 10 0 CFAELP CC(C)[N@@H+](C)[C@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000022215204 171375305 /nfs/dbraw/zinc/37/53/05/171375305.db2.gz URSRRKWMFXZCME-GFCCVEGCSA-N 2 2 258.312 2.628 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cccc(OC(F)F)c1 ZINC000035503574 172237231 /nfs/dbraw/zinc/23/72/31/172237231.db2.gz PBNPZDLQQMDLQK-LLVKDONJSA-N 2 2 267.279 2.514 10 0 CFAELP C[N@@H+](Cc1ccsc1)C[C@@H]([NH3+])Cc1ccccc1 ZINC000035719405 172374189 /nfs/dbraw/zinc/37/41/89/172374189.db2.gz HDQIKUXLASNFRH-HNNXBMFYSA-N 2 2 260.406 2.750 10 0 CFAELP C[N@H+](Cc1ccsc1)C[C@@H]([NH3+])Cc1ccccc1 ZINC000035719405 172374191 /nfs/dbraw/zinc/37/41/91/172374191.db2.gz HDQIKUXLASNFRH-HNNXBMFYSA-N 2 2 260.406 2.750 10 0 CFAELP CCc1ccc([C@@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174474 173008695 /nfs/dbraw/zinc/00/86/95/173008695.db2.gz PCTXKAUQMODRON-HUUCEWRRSA-N 2 2 264.438 2.686 10 0 CFAELP CCc1ccc([C@@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174474 173008698 /nfs/dbraw/zinc/00/86/98/173008698.db2.gz PCTXKAUQMODRON-HUUCEWRRSA-N 2 2 264.438 2.686 10 0 CFAELP C[N@H+]([C@@H](C[NH3+])c1cccc(Cl)c1)[C@H]1CCSC1 ZINC000037174505 173008992 /nfs/dbraw/zinc/00/89/92/173008992.db2.gz CFDVRVMJVGXYBL-STQMWFEESA-N 2 2 270.829 2.777 10 0 CFAELP C[N@@H+]([C@@H](C[NH3+])c1cccc(Cl)c1)[C@H]1CCSC1 ZINC000037174505 173008994 /nfs/dbraw/zinc/00/89/94/173008994.db2.gz CFDVRVMJVGXYBL-STQMWFEESA-N 2 2 270.829 2.777 10 0 CFAELP CC[NH+](CC)CCC[NH2+][C@@H]1CCOc2ccc(OC)cc21 ZINC000037211021 173033026 /nfs/dbraw/zinc/03/30/26/173033026.db2.gz FQFKMNWKXLZEQZ-MRXNPFEDSA-N 2 2 292.423 2.840 10 0 CFAELP CC[N@H+](CC(C)C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363787 173152391 /nfs/dbraw/zinc/15/23/91/173152391.db2.gz ODIYTLAJYLNOQV-HNNXBMFYSA-N 2 2 262.397 2.599 10 0 CFAELP CC[N@@H+](CC(C)C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363787 173152393 /nfs/dbraw/zinc/15/23/93/173152393.db2.gz ODIYTLAJYLNOQV-HNNXBMFYSA-N 2 2 262.397 2.599 10 0 CFAELP C[N@H+](Cc1ccsc1)C1(C[NH3+])Cc2ccccc2C1 ZINC000037374768 173164360 /nfs/dbraw/zinc/16/43/60/173164360.db2.gz GGEIAAURXBWGSA-UHFFFAOYSA-N 2 2 272.417 2.676 10 0 CFAELP C[N@@H+](Cc1ccsc1)C1(C[NH3+])Cc2ccccc2C1 ZINC000037374768 173164363 /nfs/dbraw/zinc/16/43/63/173164363.db2.gz GGEIAAURXBWGSA-UHFFFAOYSA-N 2 2 272.417 2.676 10 0 CFAELP CC[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000037538692 173259197 /nfs/dbraw/zinc/25/91/97/173259197.db2.gz LXYYQOTVZIKRLV-UHFFFAOYSA-N 2 2 252.789 2.914 10 0 CFAELP CC[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000037538692 173259198 /nfs/dbraw/zinc/25/91/98/173259198.db2.gz LXYYQOTVZIKRLV-UHFFFAOYSA-N 2 2 252.789 2.914 10 0 CFAELP C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000038044505 174052222 /nfs/dbraw/zinc/05/22/22/174052222.db2.gz LVXAUJWWKYGKOS-HUUCEWRRSA-N 2 2 285.391 2.950 10 0 CFAELP Fc1cccc(-c2c[nH]c(CC3CC[NH2+]CC3)[nH+]2)c1 ZINC000038076165 174086344 /nfs/dbraw/zinc/08/63/44/174086344.db2.gz ITFOTWWFTLIRPR-UHFFFAOYSA-N 2 2 259.328 2.758 10 0 CFAELP CCC[NH+](CCC)[C@H](C[NH3+])c1cccc(OC)c1OC ZINC000038860436 174158250 /nfs/dbraw/zinc/15/82/50/174158250.db2.gz JXCPNZNZNVJHDN-CQSZACIVSA-N 2 2 280.412 2.826 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)c1OC ZINC000039789169 174173530 /nfs/dbraw/zinc/17/35/30/174173530.db2.gz BCKVVEZOMAAIEM-VNHYZAJKSA-N 2 2 292.423 2.682 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)c1OC ZINC000039789169 174173532 /nfs/dbraw/zinc/17/35/32/174173532.db2.gz BCKVVEZOMAAIEM-VNHYZAJKSA-N 2 2 292.423 2.682 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000040502667 174299067 /nfs/dbraw/zinc/29/90/67/174299067.db2.gz XFPPWWCIGDWEKR-IKXAHOJESA-N 2 2 262.441 2.885 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000040502667 174299069 /nfs/dbraw/zinc/29/90/69/174299069.db2.gz XFPPWWCIGDWEKR-IKXAHOJESA-N 2 2 262.441 2.885 10 0 CFAELP Cc1cc(C)c(C[NH3+])c(N2CCC[C@H]2c2ccncc2)[nH+]1 ZINC000040509493 174304088 /nfs/dbraw/zinc/30/40/88/174304088.db2.gz KICLSWNGZHLGDN-INIZCTEOSA-N 2 2 282.391 2.894 10 0 CFAELP C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000040638670 174362834 /nfs/dbraw/zinc/36/28/34/174362834.db2.gz NXTCFOZVZLBPOI-LLVKDONJSA-N 2 2 263.772 2.967 10 0 CFAELP Cc1cccc2c1OCCC[C@H]2[NH2+]CCc1[nH+]ccn1C ZINC000040639309 174363777 /nfs/dbraw/zinc/36/37/77/174363777.db2.gz GWYLQXGVTBFCBF-OAHLLOKOSA-N 2 2 285.391 2.775 10 0 CFAELP COc1ccccc1C1CC([NH2+]CCc2[nH+]ccn2C)C1 ZINC000040639092 174363973 /nfs/dbraw/zinc/36/39/73/174363973.db2.gz IJMYGOGADYCFIW-UHFFFAOYSA-N 2 2 285.391 2.507 10 0 CFAELP CC(C)Oc1cccc([C@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)c1 ZINC000040641122 174364404 /nfs/dbraw/zinc/36/44/04/174364404.db2.gz VZJVPACDJVKQGU-ZBFHGGJFSA-N 2 2 294.464 2.911 10 0 CFAELP CC(C)Oc1cccc([C@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000040641122 174364406 /nfs/dbraw/zinc/36/44/06/174364406.db2.gz VZJVPACDJVKQGU-ZBFHGGJFSA-N 2 2 294.464 2.911 10 0 CFAELP CC(=O)CCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694225 174378044 /nfs/dbraw/zinc/37/80/44/174378044.db2.gz CBRUNQAEUXOMCF-UHFFFAOYSA-N 2 2 266.429 2.696 10 0 CFAELP CCC[N@H+](C1CC[NH+](C(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747621 174392514 /nfs/dbraw/zinc/39/25/14/174392514.db2.gz PNRDCTLELUBGLU-BYICEURKSA-N 3 2 293.499 2.854 10 0 CFAELP CCC[N@@H+](C1CC[NH+](C(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747621 174392515 /nfs/dbraw/zinc/39/25/15/174392515.db2.gz PNRDCTLELUBGLU-BYICEURKSA-N 3 2 293.499 2.854 10 0 CFAELP C[C@@H](c1nc2ccccc2n1C)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749338 174394205 /nfs/dbraw/zinc/39/42/05/174394205.db2.gz LTWHOGSFXNHTCO-FUDCBSFHSA-N 2 2 284.407 2.588 10 0 CFAELP C[C@@H](c1nc2ccccc2n1C)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749338 174394207 /nfs/dbraw/zinc/39/42/07/174394207.db2.gz LTWHOGSFXNHTCO-FUDCBSFHSA-N 2 2 284.407 2.588 10 0 CFAELP CCOC1CC[NH+]([C@@H](c2ccc(F)cc2)[C@@H](C)[NH3+])CC1 ZINC000042914876 174913831 /nfs/dbraw/zinc/91/38/31/174913831.db2.gz PEHOKESWISDNOS-MLGOLLRUSA-N 2 2 280.387 2.715 10 0 CFAELP CC(C)[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000043326146 175007565 /nfs/dbraw/zinc/00/75/65/175007565.db2.gz MZPLUGXARJKTLU-GJZGRUSLSA-N 2 2 250.361 2.864 10 0 CFAELP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326741 175007966 /nfs/dbraw/zinc/00/79/66/175007966.db2.gz BRAILKZKYHWWKP-OCCSQVGLSA-N 2 2 262.397 2.943 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](CCO)C1CCCCC1 ZINC000043336137 175011990 /nfs/dbraw/zinc/01/19/90/175011990.db2.gz PGHXHFBQXRWWKS-HOCLYGCPSA-N 2 2 280.412 2.685 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](CCO)C1CCCCC1 ZINC000043336137 175011991 /nfs/dbraw/zinc/01/19/91/175011991.db2.gz PGHXHFBQXRWWKS-HOCLYGCPSA-N 2 2 280.412 2.685 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043336234 175012246 /nfs/dbraw/zinc/01/22/46/175012246.db2.gz SAOBDZVWPGKSBE-BJJXKVORSA-N 2 2 280.412 2.805 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043336234 175012248 /nfs/dbraw/zinc/01/22/48/175012248.db2.gz SAOBDZVWPGKSBE-BJJXKVORSA-N 2 2 280.412 2.805 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000043340225 175014507 /nfs/dbraw/zinc/01/45/07/175014507.db2.gz LRZQNKLZUORMKO-IXYNUQLISA-N 2 2 261.413 2.980 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000043340225 175014509 /nfs/dbraw/zinc/01/45/09/175014509.db2.gz LRZQNKLZUORMKO-IXYNUQLISA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](CC(C)C)C1CC1 ZINC000043348388 175018805 /nfs/dbraw/zinc/01/88/05/175018805.db2.gz UXLVTCDPYXHEIK-CVEARBPZSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](CC(C)C)C1CC1 ZINC000043348388 175018807 /nfs/dbraw/zinc/01/88/07/175018807.db2.gz UXLVTCDPYXHEIK-CVEARBPZSA-N 2 2 261.413 2.980 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+](C)C1CCC(C)CC1 ZINC000043354176 175021339 /nfs/dbraw/zinc/02/13/39/175021339.db2.gz LYCSFJGFTNNWGM-FYAIKVRKSA-N 2 2 261.413 2.980 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](C)C1CCC(C)CC1 ZINC000043354176 175021340 /nfs/dbraw/zinc/02/13/40/175021340.db2.gz LYCSFJGFTNNWGM-FYAIKVRKSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](CC)[C@@H](C)COC ZINC000043365367 175026637 /nfs/dbraw/zinc/02/66/37/175026637.db2.gz DSDKODXPVCVMEB-LNSITVRQSA-N 2 2 268.401 2.723 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](CC)[C@@H](C)COC ZINC000043365367 175026639 /nfs/dbraw/zinc/02/66/39/175026639.db2.gz DSDKODXPVCVMEB-LNSITVRQSA-N 2 2 268.401 2.723 10 0 CFAELP CCC[N@H+](CC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000043511970 175060605 /nfs/dbraw/zinc/06/06/05/175060605.db2.gz NHCUFTQSRAUBLV-UHFFFAOYSA-N 2 2 260.303 2.876 10 0 CFAELP CCC[N@@H+](CC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000043511970 175060606 /nfs/dbraw/zinc/06/06/06/175060606.db2.gz NHCUFTQSRAUBLV-UHFFFAOYSA-N 2 2 260.303 2.876 10 0 CFAELP COc1cccc(N(CCC[NH3+])c2cc(C)cc[nH+]2)c1 ZINC000043561275 175066290 /nfs/dbraw/zinc/06/62/90/175066290.db2.gz VKHGMBSKFHZUBG-UHFFFAOYSA-N 2 2 271.364 2.886 10 0 CFAELP CCC[NH2+][C@H](C[N@H+](C)CCc1ccccn1)C(C)(C)C ZINC000043818899 175113605 /nfs/dbraw/zinc/11/36/05/175113605.db2.gz YTOCWAQRUOPLDP-MRXNPFEDSA-N 2 2 277.456 2.970 10 0 CFAELP CCC[NH2+][C@H](C[N@@H+](C)CCc1ccccn1)C(C)(C)C ZINC000043818899 175113607 /nfs/dbraw/zinc/11/36/07/175113607.db2.gz YTOCWAQRUOPLDP-MRXNPFEDSA-N 2 2 277.456 2.970 10 0 CFAELP C[NH2+][C@H](C[N@H+](C)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000043822676 175114680 /nfs/dbraw/zinc/11/46/80/175114680.db2.gz QORVLABCGVIKLK-QUZGTJOHSA-N 2 2 262.441 2.885 10 0 CFAELP C[NH2+][C@H](C[N@@H+](C)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000043822676 175114681 /nfs/dbraw/zinc/11/46/81/175114681.db2.gz QORVLABCGVIKLK-QUZGTJOHSA-N 2 2 262.441 2.885 10 0 CFAELP C[NH2+][C@@H](C[N@H+](C)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000043822673 175114801 /nfs/dbraw/zinc/11/48/01/175114801.db2.gz QORVLABCGVIKLK-AIWVUANBSA-N 2 2 262.441 2.885 10 0 CFAELP C[NH2+][C@@H](C[N@@H+](C)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000043822673 175114802 /nfs/dbraw/zinc/11/48/02/175114802.db2.gz QORVLABCGVIKLK-AIWVUANBSA-N 2 2 262.441 2.885 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](C)Cc1ccncc1 ZINC000043894051 175119131 /nfs/dbraw/zinc/11/91/31/175119131.db2.gz AXZOIQCLRIXMAT-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](C)Cc1ccncc1 ZINC000043894051 175119132 /nfs/dbraw/zinc/11/91/32/175119132.db2.gz AXZOIQCLRIXMAT-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@H]1[N@@H+]1CCOC[C@@H]1CC ZINC000043899355 175122185 /nfs/dbraw/zinc/12/21/85/175122185.db2.gz OMCFSSPSVURWED-HRCADAONSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@H]1[N@H+]1CCOC[C@@H]1CC ZINC000043899355 175122187 /nfs/dbraw/zinc/12/21/87/175122187.db2.gz OMCFSSPSVURWED-HRCADAONSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H](C[N@H+](C)CCc1ccncc1)C(C)(C)C ZINC000043902223 175122353 /nfs/dbraw/zinc/12/23/53/175122353.db2.gz ONSBGJJUBFZGJC-INIZCTEOSA-N 2 2 277.456 2.970 10 0 CFAELP CCC[NH2+][C@@H](C[N@@H+](C)CCc1ccncc1)C(C)(C)C ZINC000043902223 175122354 /nfs/dbraw/zinc/12/23/54/175122354.db2.gz ONSBGJJUBFZGJC-INIZCTEOSA-N 2 2 277.456 2.970 10 0 CFAELP CCC[NH2+][C@H](C[N@H+](C)CCc1ccncc1)C(C)(C)C ZINC000043902226 175122857 /nfs/dbraw/zinc/12/28/57/175122857.db2.gz ONSBGJJUBFZGJC-MRXNPFEDSA-N 2 2 277.456 2.970 10 0 CFAELP CCC[NH2+][C@H](C[N@@H+](C)CCc1ccncc1)C(C)(C)C ZINC000043902226 175122858 /nfs/dbraw/zinc/12/28/58/175122858.db2.gz ONSBGJJUBFZGJC-MRXNPFEDSA-N 2 2 277.456 2.970 10 0 CFAELP CC[NH2+][C@H]1CCC[C@H]1[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911596 175123719 /nfs/dbraw/zinc/12/37/19/175123719.db2.gz VZKBCECDQVGSIX-JKSUJKDBSA-N 2 2 262.397 2.658 10 0 CFAELP CC[NH2+][C@H]1CCC[C@H]1[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911596 175123720 /nfs/dbraw/zinc/12/37/20/175123720.db2.gz VZKBCECDQVGSIX-JKSUJKDBSA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@@H](C[N@H+](C)Cc1cccc(OC)c1)C(C)(C)C ZINC000043911763 175123869 /nfs/dbraw/zinc/12/38/69/175123869.db2.gz IYLDIJCFSDJCAY-HNNXBMFYSA-N 2 2 264.413 2.761 10 0 CFAELP C[NH2+][C@@H](C[N@@H+](C)Cc1cccc(OC)c1)C(C)(C)C ZINC000043911763 175123870 /nfs/dbraw/zinc/12/38/70/175123870.db2.gz IYLDIJCFSDJCAY-HNNXBMFYSA-N 2 2 264.413 2.761 10 0 CFAELP CC[NH2+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1[N@H+](C)CCOC ZINC000043915876 175124916 /nfs/dbraw/zinc/12/49/16/175124916.db2.gz KUGKNLPFZDGGOE-BZSNNMDCSA-N 2 2 290.451 2.879 10 0 CFAELP CC[NH2+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1[N@@H+](C)CCOC ZINC000043915876 175124917 /nfs/dbraw/zinc/12/49/17/175124917.db2.gz KUGKNLPFZDGGOE-BZSNNMDCSA-N 2 2 290.451 2.879 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966245 175127847 /nfs/dbraw/zinc/12/78/47/175127847.db2.gz YKQPJOPJSSNMFK-ARFHVFGLSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966245 175127848 /nfs/dbraw/zinc/12/78/48/175127848.db2.gz YKQPJOPJSSNMFK-ARFHVFGLSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1[N@H+](CC)CCOC ZINC000043968773 175129787 /nfs/dbraw/zinc/12/97/87/175129787.db2.gz KEFHCMBRLCECNU-DLBZAZTESA-N 2 2 276.424 2.620 10 0 CFAELP CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1[N@@H+](CC)CCOC ZINC000043968773 175129788 /nfs/dbraw/zinc/12/97/88/175129788.db2.gz KEFHCMBRLCECNU-DLBZAZTESA-N 2 2 276.424 2.620 10 0 CFAELP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1[N@H+](C)[C@@H](C)COC ZINC000043969472 175130333 /nfs/dbraw/zinc/13/03/33/175130333.db2.gz YAYTUAJVXNOLIU-IAOVAPTHSA-N 2 2 276.424 2.619 10 0 CFAELP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969472 175130335 /nfs/dbraw/zinc/13/03/35/175130335.db2.gz YAYTUAJVXNOLIU-IAOVAPTHSA-N 2 2 276.424 2.619 10 0 CFAELP CC[NH2+][C@H](C[N@H+](C)[C@@H](C)COC)c1ccc(C)cc1C ZINC000043969238 175130405 /nfs/dbraw/zinc/13/04/05/175130405.db2.gz WLDGGPXBSPFMBM-DOTOQJQBSA-N 2 2 278.440 2.921 10 0 CFAELP CC[NH2+][C@H](C[N@@H+](C)[C@@H](C)COC)c1ccc(C)cc1C ZINC000043969238 175130406 /nfs/dbraw/zinc/13/04/06/175130406.db2.gz WLDGGPXBSPFMBM-DOTOQJQBSA-N 2 2 278.440 2.921 10 0 CFAELP CC[NH2+][C@@H](C[N@H+](C)[C@@H](C)COC)c1ccccc1C ZINC000043969232 175130829 /nfs/dbraw/zinc/13/08/29/175130829.db2.gz JKFHZPYTCOMBBB-HOCLYGCPSA-N 2 2 264.413 2.612 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+](C)[C@@H](C)COC)c1ccccc1C ZINC000043969232 175130830 /nfs/dbraw/zinc/13/08/30/175130830.db2.gz JKFHZPYTCOMBBB-HOCLYGCPSA-N 2 2 264.413 2.612 10 0 CFAELP CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)[N@H+](C)[C@@H](C)COC ZINC000043969261 175130838 /nfs/dbraw/zinc/13/08/38/175130838.db2.gz PPZBFJUCKHKPDS-GRDNDAEWSA-N 2 2 294.439 2.701 10 0 CFAELP CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)[N@@H+](C)[C@@H](C)COC ZINC000043969261 175130839 /nfs/dbraw/zinc/13/08/39/175130839.db2.gz PPZBFJUCKHKPDS-GRDNDAEWSA-N 2 2 294.439 2.701 10 0 CFAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](CC(C)C)C(C)C)OCCO2 ZINC000043973960 175132697 /nfs/dbraw/zinc/13/26/97/175132697.db2.gz DTLCKMBYPUTGBL-HZPDHXFCSA-N 2 2 298.471 2.627 10 0 CFAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](CC(C)C)C(C)C)OCCO2 ZINC000043973960 175132698 /nfs/dbraw/zinc/13/26/98/175132698.db2.gz DTLCKMBYPUTGBL-HZPDHXFCSA-N 2 2 298.471 2.627 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@@H]1[N@H+](C)[C@@H](C)CC(C)C ZINC000043973037 175132920 /nfs/dbraw/zinc/13/29/20/175132920.db2.gz PTKOOHJHJXOMTK-KKUMJFAQSA-N 2 2 256.434 2.510 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](C)[C@@H](C)CC(C)C ZINC000043973037 175132921 /nfs/dbraw/zinc/13/29/21/175132921.db2.gz PTKOOHJHJXOMTK-KKUMJFAQSA-N 2 2 256.434 2.510 10 0 CFAELP C[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000043993192 175136720 /nfs/dbraw/zinc/13/67/20/175136720.db2.gz JAFWVAPNOPSIHE-XHSDSOJGSA-N 2 2 255.365 2.980 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@H]1n1c(C)[nH+]c2ccccc21 ZINC000043996036 175136933 /nfs/dbraw/zinc/13/69/33/175136933.db2.gz MIELMQHJSHUYFF-CZUORRHYSA-N 2 2 273.380 2.674 10 0 CFAELP Cc1cc(C)c([C@@H](O)C[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000044121185 175142906 /nfs/dbraw/zinc/14/29/06/175142906.db2.gz PJFUEHFQPCICOG-KRWDZBQOSA-N 2 2 290.451 2.671 10 0 CFAELP Cc1cc(C)c([C@@H](O)C[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000044121185 175142907 /nfs/dbraw/zinc/14/29/07/175142907.db2.gz PJFUEHFQPCICOG-KRWDZBQOSA-N 2 2 290.451 2.671 10 0 CFAELP [NH3+]C[C@H]([NH3+])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000044469300 175177771 /nfs/dbraw/zinc/17/77/71/175177771.db2.gz LYERWHWMFFHUDK-QMMMGPOBSA-N 2 2 272.192 2.683 10 0 CFAELP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3ccccc3s2)C1 ZINC000044536068 175199042 /nfs/dbraw/zinc/19/90/42/175199042.db2.gz REABBUZTNGLTQQ-LBPRGKRZSA-N 2 2 275.421 2.728 10 0 CFAELP C[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3ccccc3s2)C1 ZINC000044536068 175199044 /nfs/dbraw/zinc/19/90/44/175199044.db2.gz REABBUZTNGLTQQ-LBPRGKRZSA-N 2 2 275.421 2.728 10 0 CFAELP C[C@H](c1ccc2c(c1)OCCCO2)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540178 175200602 /nfs/dbraw/zinc/20/06/02/175200602.db2.gz ZHNUBMACNBDROW-UKRRQHHQSA-N 2 2 290.407 2.722 10 0 CFAELP C[C@H](c1ccc2c(c1)OCCCO2)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540178 175200603 /nfs/dbraw/zinc/20/06/03/175200603.db2.gz ZHNUBMACNBDROW-UKRRQHHQSA-N 2 2 290.407 2.722 10 0 CFAELP C[N@@H+]1CCCC[C@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC000044562695 175205402 /nfs/dbraw/zinc/20/54/02/175205402.db2.gz VHDBADYCSVPYNM-INIZCTEOSA-N 2 2 269.392 2.809 10 0 CFAELP C[N@H+]1CCCC[C@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC000044562695 175205404 /nfs/dbraw/zinc/20/54/04/175205404.db2.gz VHDBADYCSVPYNM-INIZCTEOSA-N 2 2 269.392 2.809 10 0 CFAELP CCC[NH2+][C@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045376160 175366300 /nfs/dbraw/zinc/36/63/00/175366300.db2.gz AKAQOIJWBZFZEL-DOTOQJQBSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@](C)(CCC[N@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045376160 175366301 /nfs/dbraw/zinc/36/63/01/175366301.db2.gz AKAQOIJWBZFZEL-DOTOQJQBSA-N 2 2 298.471 2.962 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[NH+]1CCCC1)[NH2+]C(C)C ZINC000045375294 175366384 /nfs/dbraw/zinc/36/63/84/175366384.db2.gz QIPFPDZUBXPVJP-MRXNPFEDSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[NH+]1CCCCCC1)C(=O)OC ZINC000045377541 175367240 /nfs/dbraw/zinc/36/72/40/175367240.db2.gz QBNOSUJQIHANST-INIZCTEOSA-N 2 2 284.444 2.574 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[NH+]1CCCCC1)[NH2+]C(C)C ZINC000045378277 175367425 /nfs/dbraw/zinc/36/74/25/175367425.db2.gz GOAABQSGIWWCET-QGZVFWFLSA-N 2 2 298.471 2.962 10 0 CFAELP CCOC(=O)[C@](C)(CCC[NH+]1CCCCCC1)[NH2+]C1CC1 ZINC000045377567 175367753 /nfs/dbraw/zinc/36/77/53/175367753.db2.gz YFUKKOCTPDRQPW-KRWDZBQOSA-N 2 2 296.455 2.716 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[NH+]1CCCCCC1)[NH2+]C1CC1 ZINC000045377565 175367801 /nfs/dbraw/zinc/36/78/01/175367801.db2.gz YFUKKOCTPDRQPW-QGZVFWFLSA-N 2 2 296.455 2.716 10 0 CFAELP CC[NH2+][C@](C)(CCCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379608 175368165 /nfs/dbraw/zinc/36/81/65/175368165.db2.gz FAJCZFDLBQWQBB-HLLBOEOZSA-N 2 2 298.471 2.961 10 0 CFAELP CC[NH2+][C@](C)(CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379608 175368167 /nfs/dbraw/zinc/36/81/67/175368167.db2.gz FAJCZFDLBQWQBB-HLLBOEOZSA-N 2 2 298.471 2.961 10 0 CFAELP CCC[NH2+][C@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379737 175369308 /nfs/dbraw/zinc/36/93/08/175369308.db2.gz ZJYPCLPJBOMTIC-HLLBOEOZSA-N 2 2 298.471 2.961 10 0 CFAELP CCC[NH2+][C@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379737 175369309 /nfs/dbraw/zinc/36/93/09/175369309.db2.gz ZJYPCLPJBOMTIC-HLLBOEOZSA-N 2 2 298.471 2.961 10 0 CFAELP CCC[NH2+][C@](C)(CCC[N@@H+]1CCCC[C@@H]1CC)C(=O)OC ZINC000045384321 175370630 /nfs/dbraw/zinc/37/06/30/175370630.db2.gz FWCFQBRUZRVWPR-DOTOQJQBSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@](C)(CCC[N@H+]1CCCC[C@@H]1CC)C(=O)OC ZINC000045384321 175370632 /nfs/dbraw/zinc/37/06/32/175370632.db2.gz FWCFQBRUZRVWPR-DOTOQJQBSA-N 2 2 298.471 2.962 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@@H+]1CCCC[C@@H]1CC)[NH2+]C ZINC000045384132 175370694 /nfs/dbraw/zinc/37/06/94/175370694.db2.gz UAJLDNVKUWWJFD-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@H+]1CCCC[C@@H]1CC)[NH2+]C ZINC000045384132 175370696 /nfs/dbraw/zinc/37/06/96/175370696.db2.gz UAJLDNVKUWWJFD-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)OCC)C(C)C ZINC000045386089 175371733 /nfs/dbraw/zinc/37/17/33/175371733.db2.gz KKUCWFRNJPGAJP-QGZVFWFLSA-N 2 2 298.471 2.961 10 0 CFAELP CCC[N@@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)OCC)C(C)C ZINC000045386089 175371734 /nfs/dbraw/zinc/37/17/34/175371734.db2.gz KKUCWFRNJPGAJP-QGZVFWFLSA-N 2 2 298.471 2.961 10 0 CFAELP CCOc1ccc(Cl)cc1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000045946261 175388159 /nfs/dbraw/zinc/38/81/59/175388159.db2.gz MUEUYZYWUWEFAA-UHFFFAOYSA-N 2 2 279.771 2.794 10 0 CFAELP CCOc1ccc(Cl)cc1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000045946261 175388160 /nfs/dbraw/zinc/38/81/60/175388160.db2.gz MUEUYZYWUWEFAA-UHFFFAOYSA-N 2 2 279.771 2.794 10 0 CFAELP C[C@@H](Nc1ccc(C[NH+](C)C)cc1)c1[nH+]ccn1C ZINC000070444861 175937008 /nfs/dbraw/zinc/93/70/08/175937008.db2.gz GLUUWFKPRITNMG-GFCCVEGCSA-N 2 2 258.369 2.655 10 0 CFAELP COc1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C(C)C)cc1 ZINC000071137968 176036329 /nfs/dbraw/zinc/03/63/29/176036329.db2.gz SVCWTTKNLOIKQW-OAHLLOKOSA-N 2 2 262.397 2.658 10 0 CFAELP COc1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]C(C)C)cc1 ZINC000071137968 176036331 /nfs/dbraw/zinc/03/63/31/176036331.db2.gz SVCWTTKNLOIKQW-OAHLLOKOSA-N 2 2 262.397 2.658 10 0 CFAELP CCC[N@H+](Cc1ccc(F)cc1C)[C@H]1CC[NH2+]C1 ZINC000071314888 176121006 /nfs/dbraw/zinc/12/10/06/176121006.db2.gz ZPZVSAWJKKPXIV-HNNXBMFYSA-N 2 2 250.361 2.708 10 0 CFAELP CCC[N@@H+](Cc1ccc(F)cc1C)[C@H]1CC[NH2+]C1 ZINC000071314888 176121008 /nfs/dbraw/zinc/12/10/08/176121008.db2.gz ZPZVSAWJKKPXIV-HNNXBMFYSA-N 2 2 250.361 2.708 10 0 CFAELP CCCOc1ccc([C@H]([C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000071594591 176217689 /nfs/dbraw/zinc/21/76/89/176217689.db2.gz UIJGWVAYOJLJNL-HZPDHXFCSA-N 2 2 262.397 2.830 10 0 CFAELP Cc1cccc2[nH+]c(C3CC[NH+](C[C@@H]4CC[NH2+]C4)CC3)[nH]c21 ZINC000077288160 177249193 /nfs/dbraw/zinc/24/91/93/177249193.db2.gz VCBGGZMCJNSKER-CQSZACIVSA-N 3 2 298.434 2.660 10 0 CFAELP Cc1cccc2[nH]c(C3CC[NH+](C[C@@H]4CC[NH2+]C4)CC3)[nH+]c21 ZINC000077288160 177249194 /nfs/dbraw/zinc/24/91/94/177249194.db2.gz VCBGGZMCJNSKER-CQSZACIVSA-N 3 2 298.434 2.660 10 0 CFAELP C[N@H+](CC[NH3+])CCc1ccc(-c2ccccc2)cc1 ZINC000077608873 177284904 /nfs/dbraw/zinc/28/49/04/177284904.db2.gz AOVZZCVZJMSLLX-UHFFFAOYSA-N 2 2 254.377 2.787 10 0 CFAELP C[N@@H+](CC[NH3+])CCc1ccc(-c2ccccc2)cc1 ZINC000077608873 177284905 /nfs/dbraw/zinc/28/49/05/177284905.db2.gz AOVZZCVZJMSLLX-UHFFFAOYSA-N 2 2 254.377 2.787 10 0 CFAELP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396614082 270315517 /nfs/dbraw/zinc/31/55/17/270315517.db2.gz ALUNRFXDAJVLAF-HEHGZKQESA-N 2 2 262.397 2.876 10 0 CFAELP C[NH+](C)[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000224420003 276866416 /nfs/dbraw/zinc/86/64/16/276866416.db2.gz UDRQJNMITPOYCH-YVSFHVDLSA-N 2 2 288.435 2.692 10 0 CFAELP Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cnn1C ZINC000157384104 278608703 /nfs/dbraw/zinc/60/87/03/278608703.db2.gz UQHVLYIOPHQYJX-CIISACIHSA-N 2 2 270.380 2.524 10 0 CFAELP CC[C@H]([NH2+][C@@H](C[NH+](C)C)c1ccccc1)[C@@H]1CCOC1 ZINC000163852687 280808238 /nfs/dbraw/zinc/80/82/38/280808238.db2.gz INPSIMWYUCRZHN-IKGGRYGDSA-N 2 2 276.424 2.694 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c(cccc3OC)C2)C1 ZINC000249124305 281049158 /nfs/dbraw/zinc/04/91/58/281049158.db2.gz XDMNQMKDSCDHHA-JKSUJKDBSA-N 2 2 288.435 2.626 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c(cccc3OC)C2)C1 ZINC000249124305 281049163 /nfs/dbraw/zinc/04/91/63/281049163.db2.gz XDMNQMKDSCDHHA-JKSUJKDBSA-N 2 2 288.435 2.626 10 0 CFAELP CC[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000192850532 324066316 /nfs/dbraw/zinc/06/63/16/324066316.db2.gz ADQLDKLIOMNEPR-GDBMZVCRSA-N 2 2 261.413 2.634 10 0 CFAELP CC[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000192850532 324066317 /nfs/dbraw/zinc/06/63/17/324066317.db2.gz ADQLDKLIOMNEPR-GDBMZVCRSA-N 2 2 261.413 2.634 10 0 CFAELP CC[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000192850532 324066320 /nfs/dbraw/zinc/06/63/20/324066320.db2.gz ADQLDKLIOMNEPR-GDBMZVCRSA-N 2 2 261.413 2.634 10 0 CFAELP CC[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000192850532 324066323 /nfs/dbraw/zinc/06/63/23/324066323.db2.gz ADQLDKLIOMNEPR-GDBMZVCRSA-N 2 2 261.413 2.634 10 0 CFAELP CC[NH2+]C1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000049530890 519909164 /nfs/dbraw/zinc/90/91/64/519909164.db2.gz RNYGBPMIRZRVCV-GFCCVEGCSA-N 2 2 250.361 2.961 10 0 CFAELP CCC[C@@](C)(C[NH2+]C1CC1)C[N@@H+]1CCOC(C)(C)C1 ZINC000051218343 520908270 /nfs/dbraw/zinc/90/82/70/520908270.db2.gz JVCLTTULFIUKRW-INIZCTEOSA-N 2 2 268.445 2.656 10 0 CFAELP CCC[C@@](C)(C[NH2+]C1CC1)C[N@H+]1CCOC(C)(C)C1 ZINC000051218343 520908279 /nfs/dbraw/zinc/90/82/79/520908279.db2.gz JVCLTTULFIUKRW-INIZCTEOSA-N 2 2 268.445 2.656 10 0 CFAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000151299221 533899285 /nfs/dbraw/zinc/89/92/85/533899285.db2.gz PDMJZZUBSAAYEP-BBRMVZONSA-N 2 2 296.842 2.837 10 0 CFAELP CC(C)C[NH2+]Cc1ccoc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380311 519747864 /nfs/dbraw/zinc/74/78/64/519747864.db2.gz ITJCUGAXWHWLIK-OKILXGFUSA-N 2 2 280.412 2.634 10 0 CFAELP CC(C)C[NH2+]Cc1ccoc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380311 519747865 /nfs/dbraw/zinc/74/78/65/519747865.db2.gz ITJCUGAXWHWLIK-OKILXGFUSA-N 2 2 280.412 2.634 10 0 CFAELP CC(C)c1ccc(Cn2cc[nH+]c2C[C@@H](C)[NH3+])cc1 ZINC000062802881 519836592 /nfs/dbraw/zinc/83/65/92/519836592.db2.gz TYHMCQJADQJULK-CYBMUJFWSA-N 2 2 257.381 2.945 10 0 CFAELP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)CC1 ZINC000049150135 519847657 /nfs/dbraw/zinc/84/76/57/519847657.db2.gz CDZGWLUYLVZUST-JKSUJKDBSA-N 3 2 281.488 2.571 10 0 CFAELP CCCC1CC[NH+]([C@@H](c2cnn(C)c2)[C@@H]([NH3+])CC)CC1 ZINC000050892930 519903295 /nfs/dbraw/zinc/90/32/95/519903295.db2.gz XPNCUHZZCKNXHF-HOTGVXAUSA-N 2 2 278.444 2.711 10 0 CFAELP CCC[NH2+]C1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000050701843 519907024 /nfs/dbraw/zinc/90/70/24/519907024.db2.gz PWYAYHLGSRMWSK-UHFFFAOYSA-N 2 2 276.424 2.968 10 0 CFAELP CC[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000049530889 519908684 /nfs/dbraw/zinc/90/86/84/519908684.db2.gz RNYGBPMIRZRVCV-LBPRGKRZSA-N 2 2 250.361 2.961 10 0 CFAELP CC[NH2+]C1CC[NH+]([C@@H](C)c2sc(C)nc2C)CC1 ZINC000049533875 519908989 /nfs/dbraw/zinc/90/89/89/519908989.db2.gz VGKKJCFEJJGXHO-NSHDSACASA-N 2 2 267.442 2.895 10 0 CFAELP CCC[NH2+]C[C@@H](C)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418199 519920034 /nfs/dbraw/zinc/92/00/34/519920034.db2.gz UMUXVMFUVHKSIP-OAHLLOKOSA-N 2 2 293.430 2.583 10 0 CFAELP CC[NH2+]CC[C@@H](C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000052376280 519928613 /nfs/dbraw/zinc/92/86/13/519928613.db2.gz BPJVJYCJESCROB-MRXNPFEDSA-N 2 2 289.467 2.814 10 0 CFAELP CC[NH2+]C[C@@H](C(C)C)[N@H+](C)Cc1cccc(F)c1 ZINC000052425180 519929671 /nfs/dbraw/zinc/92/96/71/519929671.db2.gz HBWZSMTXBSKPJP-HNNXBMFYSA-N 2 2 252.377 2.892 10 0 CFAELP CC[NH2+]C[C@@H](C(C)C)[N@@H+](C)Cc1cccc(F)c1 ZINC000052425180 519929679 /nfs/dbraw/zinc/92/96/79/519929679.db2.gz HBWZSMTXBSKPJP-HNNXBMFYSA-N 2 2 252.377 2.892 10 0 CFAELP CC[NH2+]C[C@H](C(C)C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000052418896 519957445 /nfs/dbraw/zinc/95/74/45/519957445.db2.gz ICJSOICEOUWIIO-GOSISDBHSA-N 2 2 289.467 2.751 10 0 CFAELP CC1(C)CC[NH+]([C@@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000061818437 520383905 /nfs/dbraw/zinc/38/39/05/520383905.db2.gz GDEYVXYYHABNTL-AWEZNQCLSA-N 2 2 250.361 2.948 10 0 CFAELP CC[N@H+](CC1(C[NH3+])CCOCC1)c1ccc(C)cc1 ZINC000052182829 520938992 /nfs/dbraw/zinc/93/89/92/520938992.db2.gz MXLVFTMWQOMETD-UHFFFAOYSA-N 2 2 262.397 2.577 10 0 CFAELP CC[N@@H+](CC1(C[NH3+])CCOCC1)c1ccc(C)cc1 ZINC000052182829 520939000 /nfs/dbraw/zinc/93/90/00/520939000.db2.gz MXLVFTMWQOMETD-UHFFFAOYSA-N 2 2 262.397 2.577 10 0 CFAELP CC[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000069237442 520964015 /nfs/dbraw/zinc/96/40/15/520964015.db2.gz GGXCHRSZSGNIQO-HNNXBMFYSA-N 2 2 250.361 2.866 10 0 CFAELP CC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000069237442 520964022 /nfs/dbraw/zinc/96/40/22/520964022.db2.gz GGXCHRSZSGNIQO-HNNXBMFYSA-N 2 2 250.361 2.866 10 0 CFAELP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCSc1ccc(F)cc1 ZINC000063168406 522039827 /nfs/dbraw/zinc/03/98/27/522039827.db2.gz OUIUHQSORAQFEX-AWEZNQCLSA-N 2 2 282.428 2.992 10 0 CFAELP C[NH2+]C[C@@H]1CCCC[N@H+]1CCSc1ccc(F)cc1 ZINC000063168406 522039831 /nfs/dbraw/zinc/03/98/31/522039831.db2.gz OUIUHQSORAQFEX-AWEZNQCLSA-N 2 2 282.428 2.992 10 0 CFAELP C[NH2+]C[C@H](C(C)C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052418962 522063193 /nfs/dbraw/zinc/06/31/93/522063193.db2.gz KTNSKFZIHSZLNM-MRXNPFEDSA-N 2 2 295.858 2.706 10 0 CFAELP CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccccc1Cl ZINC000062803037 522336407 /nfs/dbraw/zinc/33/64/07/522336407.db2.gz BHOCRYNPLRPOOI-LBPRGKRZSA-N 2 2 263.772 2.865 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cccc(OC(C)C)c1 ZINC000061666272 522364722 /nfs/dbraw/zinc/36/47/22/522364722.db2.gz ZRDRETPQZLKKAQ-AWEZNQCLSA-N 2 2 259.353 2.700 10 0 CFAELP CC[C@@H](C[NH2+]C(C)C)[N@H+](C)Cc1cccc(OC)c1 ZINC000052372884 522544716 /nfs/dbraw/zinc/54/47/16/522544716.db2.gz YLLMRWMASGPAOP-HNNXBMFYSA-N 2 2 264.413 2.904 10 0 CFAELP CC[C@@H](C[NH2+]C(C)C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372884 522544724 /nfs/dbraw/zinc/54/47/24/522544724.db2.gz YLLMRWMASGPAOP-HNNXBMFYSA-N 2 2 264.413 2.904 10 0 CFAELP CC[C@@H](C[NH2+]CC(C)C)[N@H+](C)CCc1ccncc1 ZINC000052483052 522547705 /nfs/dbraw/zinc/54/77/05/522547705.db2.gz JWFQDUFDGUUIAL-INIZCTEOSA-N 2 2 263.429 2.580 10 0 CFAELP CC[C@@H](C[NH2+]CC(C)C)[N@@H+](C)CCc1ccncc1 ZINC000052483052 522547714 /nfs/dbraw/zinc/54/77/14/522547714.db2.gz JWFQDUFDGUUIAL-INIZCTEOSA-N 2 2 263.429 2.580 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[NH+]1CCC(C)(C)CC1 ZINC000061818554 522653624 /nfs/dbraw/zinc/65/36/24/522653624.db2.gz VLAOZZPVKYSXNA-CABCVRRESA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@H]1CO[C@H](C)C[N@@H+]1[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052570742 523354720 /nfs/dbraw/zinc/35/47/20/523354720.db2.gz PUOPJZCPCXRSAO-PMPSAXMXSA-N 2 2 270.461 2.756 10 0 CFAELP CC[C@H]1CO[C@H](C)C[N@H+]1[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052570742 523354728 /nfs/dbraw/zinc/35/47/28/523354728.db2.gz PUOPJZCPCXRSAO-PMPSAXMXSA-N 2 2 270.461 2.756 10 0 CFAELP CC[C@@H]1C[N@H+](Cc2occc2C[NH2+]CC(C)C)CCO1 ZINC000052477028 523462104 /nfs/dbraw/zinc/46/21/04/523462104.db2.gz CVLSPGIQMWWSAT-OAHLLOKOSA-N 2 2 280.412 2.636 10 0 CFAELP CC[C@@H]1C[N@@H+](Cc2occc2C[NH2+]CC(C)C)CCO1 ZINC000052477028 523462114 /nfs/dbraw/zinc/46/21/14/523462114.db2.gz CVLSPGIQMWWSAT-OAHLLOKOSA-N 2 2 280.412 2.636 10 0 CFAELP C[N@H+](Cc1coc(-c2cccs2)n1)[C@H]1CCC[NH2+]CC1 ZINC000231669622 523521242 /nfs/dbraw/zinc/52/12/42/523521242.db2.gz XGHMCXRGTQTQQM-ZDUSSCGKSA-N 2 2 291.420 2.977 10 0 CFAELP C[N@@H+](Cc1coc(-c2cccs2)n1)[C@H]1CCC[NH2+]CC1 ZINC000231669622 523521251 /nfs/dbraw/zinc/52/12/51/523521251.db2.gz XGHMCXRGTQTQQM-ZDUSSCGKSA-N 2 2 291.420 2.977 10 0 CFAELP C[N@H+](Cc1csc(C[NH2+]C(C)(C)C)n1)C1CC1 ZINC000052445141 523526430 /nfs/dbraw/zinc/52/64/30/523526430.db2.gz KZGHTPXHBPWHBC-UHFFFAOYSA-N 2 2 253.415 2.625 10 0 CFAELP C[N@@H+](Cc1csc(C[NH2+]C(C)(C)C)n1)C1CC1 ZINC000052445141 523526433 /nfs/dbraw/zinc/52/64/33/523526433.db2.gz KZGHTPXHBPWHBC-UHFFFAOYSA-N 2 2 253.415 2.625 10 0 CFAELP C[N@@H+](Cc1cscn1)C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052503888 523536727 /nfs/dbraw/zinc/53/67/27/523536727.db2.gz BYROGMGWRVWBJB-KBPBESRZSA-N 2 2 297.468 2.511 10 0 CFAELP C[N@H+](Cc1cscn1)C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052503888 523536771 /nfs/dbraw/zinc/53/67/71/523536771.db2.gz BYROGMGWRVWBJB-KBPBESRZSA-N 2 2 297.468 2.511 10 0 CFAELP CCn1cc[nH+]c1Cn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000311907707 523547627 /nfs/dbraw/zinc/54/76/27/523547627.db2.gz QSHCUOKKECNZQM-RYUDHWBXSA-N 2 2 258.369 2.519 10 0 CFAELP COc1cccc([C@@H](C)[NH2+][C@H](C)C[NH+]2CCCC2)c1 ZINC000049149467 524093271 /nfs/dbraw/zinc/09/32/71/524093271.db2.gz PSUZRAUGDKAIBM-ZIAGYGMSSA-N 2 2 262.397 2.830 10 0 CFAELP COc1cccc([C@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)c1 ZINC000049149464 524152950 /nfs/dbraw/zinc/15/29/50/524152950.db2.gz PSUZRAUGDKAIBM-KBPBESRZSA-N 2 2 262.397 2.830 10 0 CFAELP COc1ccc(C[C@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)cc1 ZINC000049197663 524154980 /nfs/dbraw/zinc/15/49/80/524154980.db2.gz VVHCAMGQBGALJE-YOEHRIQHSA-N 2 2 278.440 2.802 10 0 CFAELP Cc1cc(C)c(C[NH3+])c(N2Cc3ccccc3C2)[nH+]1 ZINC000050909724 524261559 /nfs/dbraw/zinc/26/15/59/524261559.db2.gz JXJHRIPGIVCPJV-UHFFFAOYSA-N 2 2 253.349 2.677 10 0 CFAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000049149746 524319107 /nfs/dbraw/zinc/31/91/07/524319107.db2.gz KZCIOZOMTYBPAP-UKRRQHHQSA-N 2 2 260.381 2.584 10 0 CFAELP COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC000049150998 524502299 /nfs/dbraw/zinc/50/22/99/524502299.db2.gz LTKCNKKFOPLGCK-CABCVRRESA-N 2 2 276.424 2.700 10 0 CFAELP COc1ccccc1C[C@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C ZINC000049198606 524509932 /nfs/dbraw/zinc/50/99/32/524509932.db2.gz BFZBDGSSQRHXLK-HOCLYGCPSA-N 2 2 278.440 2.802 10 0 CFAELP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C(C)(C)C)o2)C[C@@H](C)O1 ZINC000052380386 524994472 /nfs/dbraw/zinc/99/44/72/524994472.db2.gz ATLYBBTUEVIWLN-CHWSQXEVSA-N 2 2 280.412 2.777 10 0 CFAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000050578110 525003756 /nfs/dbraw/zinc/00/37/56/525003756.db2.gz JCMFIEOHFUWGDV-XHDPSFHLSA-N 2 2 250.361 2.866 10 0 CFAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000050578110 525003764 /nfs/dbraw/zinc/00/37/64/525003764.db2.gz JCMFIEOHFUWGDV-XHDPSFHLSA-N 2 2 250.361 2.866 10 0 CFAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@@H+]1CCCSCC1 ZINC000050578829 525007254 /nfs/dbraw/zinc/00/72/54/525007254.db2.gz SPVGEKKKSKAWJO-AWEZNQCLSA-N 2 2 268.401 2.573 10 0 CFAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@H+]1CCCSCC1 ZINC000050578829 525007260 /nfs/dbraw/zinc/00/72/60/525007260.db2.gz SPVGEKKKSKAWJO-AWEZNQCLSA-N 2 2 268.401 2.573 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[NH+]2CCC(C)(C)CC2)cc1OC ZINC000061818986 525178743 /nfs/dbraw/zinc/17/87/43/525178743.db2.gz IJLXQBRLQSEKFM-CQSZACIVSA-N 2 2 292.423 2.826 10 0 CFAELP Cc1ccc(OCCCn2cc[nH+]c2)c([C@@H](C)[NH3+])c1 ZINC000049327330 525416559 /nfs/dbraw/zinc/41/65/59/525416559.db2.gz KIZOPDXHNVYDII-CYBMUJFWSA-N 2 2 259.353 2.680 10 0 CFAELP Cc1ccc[nH+]c1N(CCC(N)=[NH2+])c1ccccc1 ZINC000051040818 525533053 /nfs/dbraw/zinc/53/30/53/525533053.db2.gz PKHMWSIVSXIVEO-UHFFFAOYSA-N 2 2 254.337 2.854 10 0 CFAELP Cc1cc([C@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)ccc1F ZINC000050545824 525535872 /nfs/dbraw/zinc/53/58/72/525535872.db2.gz MHGYUIBYLSLYBJ-NHYWBVRUSA-N 2 2 250.361 2.866 10 0 CFAELP Cc1cc([C@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)ccc1F ZINC000050545824 525535881 /nfs/dbraw/zinc/53/58/81/525535881.db2.gz MHGYUIBYLSLYBJ-NHYWBVRUSA-N 2 2 250.361 2.866 10 0 CFAELP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(F)c(F)c1 ZINC000070143130 525550902 /nfs/dbraw/zinc/55/09/02/525550902.db2.gz VGAHEGJLHSUTGD-SNVBAGLBSA-N 2 2 294.349 2.615 10 0 CFAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+]2CCC[C@@H]2CCCO)s1 ZINC000052757243 525977798 /nfs/dbraw/zinc/97/77/98/525977798.db2.gz ZYQMDPXURXVPQZ-NFAWXSAZSA-N 2 2 282.453 2.682 10 0 CFAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@H+]2CCC[C@@H]2CCCO)s1 ZINC000052757243 525977814 /nfs/dbraw/zinc/97/78/14/525977814.db2.gz ZYQMDPXURXVPQZ-NFAWXSAZSA-N 2 2 282.453 2.682 10 0 CFAELP Fc1cc2[nH]c(CCC3CC[NH2+]CC3)[nH+]c2cc1F ZINC000050926796 526311514 /nfs/dbraw/zinc/31/15/14/526311514.db2.gz CGRFEAJWJRFZTK-UHFFFAOYSA-N 2 2 265.307 2.773 10 0 CFAELP c1ccc(OCCC[N@@H+]2CCC[C@@H]2C[NH2+]C2CC2)cc1 ZINC000061815928 526485404 /nfs/dbraw/zinc/48/54/04/526485404.db2.gz KRPDZJDUSMTRGH-MRXNPFEDSA-N 2 2 274.408 2.672 10 0 CFAELP c1ccc(OCCC[N@H+]2CCC[C@@H]2C[NH2+]C2CC2)cc1 ZINC000061815928 526485410 /nfs/dbraw/zinc/48/54/10/526485410.db2.gz KRPDZJDUSMTRGH-MRXNPFEDSA-N 2 2 274.408 2.672 10 0 CFAELP c1cn(CCC[NH2+]C23CC4CC(CC(C4)C2)C3)c[nH+]1 ZINC000049327563 526531497 /nfs/dbraw/zinc/53/14/97/526531497.db2.gz VULLWZXTKDVOQN-UHFFFAOYSA-N 2 2 259.397 2.832 10 0 CFAELP Cc1oc(C[N@@H+]2CCOC(C)(C)C2)cc1C[NH2+]CC(C)C ZINC000052481790 526772071 /nfs/dbraw/zinc/77/20/71/526772071.db2.gz KEYXAAQTGQFDKS-UHFFFAOYSA-N 2 2 294.439 2.944 10 0 CFAELP Cc1oc(C[N@H+]2CCOC(C)(C)C2)cc1C[NH2+]CC(C)C ZINC000052481790 526772074 /nfs/dbraw/zinc/77/20/74/526772074.db2.gz KEYXAAQTGQFDKS-UHFFFAOYSA-N 2 2 294.439 2.944 10 0 CFAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000052476724 526775425 /nfs/dbraw/zinc/77/54/25/526775425.db2.gz ZRSZJUQTTMRDJL-QWHCGFSZSA-N 2 2 280.412 2.695 10 0 CFAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000052476724 526775427 /nfs/dbraw/zinc/77/54/27/526775427.db2.gz ZRSZJUQTTMRDJL-QWHCGFSZSA-N 2 2 280.412 2.695 10 0 CFAELP Cc1[nH]c2ccc(NC(=O)CC[C@H]3CCCC[NH2+]3)cc2[nH+]1 ZINC000050944907 527125047 /nfs/dbraw/zinc/12/50/47/527125047.db2.gz SZXQVQVUWVQSAJ-GFCCVEGCSA-N 2 2 286.379 2.732 10 0 CFAELP [NH3+]CCc1[nH+]ccn1Cc1c(Cl)cccc1Cl ZINC000052304050 527199511 /nfs/dbraw/zinc/19/95/11/527199511.db2.gz XNVOPFVGJHEMLH-UHFFFAOYSA-N 2 2 270.163 2.739 10 0 CFAELP C[N@H+](Cc1cc(-c2ccccc2)on1)[C@H]1CCC[NH2+]CC1 ZINC000226466001 623075843 /nfs/dbraw/zinc/07/58/43/623075843.db2.gz ZHPKTORDTYRTKI-INIZCTEOSA-N 2 2 285.391 2.916 10 0 CFAELP C[N@@H+](Cc1cc(-c2ccccc2)on1)[C@H]1CCC[NH2+]CC1 ZINC000226466001 623075848 /nfs/dbraw/zinc/07/58/48/623075848.db2.gz ZHPKTORDTYRTKI-INIZCTEOSA-N 2 2 285.391 2.916 10 0 CFAELP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000085132862 626037085 /nfs/dbraw/zinc/03/70/85/626037085.db2.gz LUDSKXZPSQTPTJ-NEPJUHHUSA-N 2 2 264.335 2.793 10 0 CFAELP c1[nH]cc(CC[NH2+]Cc2ccc3ccccc3c2)[nH+]1 ZINC000083385238 178393370 /nfs/dbraw/zinc/39/33/70/178393370.db2.gz RUBMMCRDFSOIBY-UHFFFAOYSA-N 2 2 251.333 2.895 10 0 CFAELP c1[nH]c(CC[NH2+]Cc2ccc3ccccc3c2)c[nH+]1 ZINC000083385238 178393371 /nfs/dbraw/zinc/39/33/71/178393371.db2.gz RUBMMCRDFSOIBY-UHFFFAOYSA-N 2 2 251.333 2.895 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342752 347695514 /nfs/dbraw/zinc/69/55/14/347695514.db2.gz BYJHUMFAGODQQU-OCCSQVGLSA-N 2 2 255.365 2.717 10 0 CFAELP CC[C@H]([NH3+])C([NH3+])(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000141323060 347930378 /nfs/dbraw/zinc/93/03/78/347930378.db2.gz PFHOIHWQBGVYJF-HNNXBMFYSA-N 2 2 276.330 2.904 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000086836915 179351235 /nfs/dbraw/zinc/35/12/35/179351235.db2.gz QBWPZBSLHZUUIB-IRXDYDNUSA-N 3 2 281.488 2.571 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000086836915 179351237 /nfs/dbraw/zinc/35/12/37/179351237.db2.gz QBWPZBSLHZUUIB-IRXDYDNUSA-N 3 2 281.488 2.571 10 0 CFAELP CC[N@@H+]1CCC[C@H](Nc2ccc[nH+]c2N2CCCC2)CC1 ZINC000086837813 179352121 /nfs/dbraw/zinc/35/21/21/179352121.db2.gz HYWTVQMJWSWKIQ-HNNXBMFYSA-N 2 2 288.439 2.968 10 0 CFAELP CC[N@H+]1CCC[C@H](Nc2ccc[nH+]c2N2CCCC2)CC1 ZINC000086837813 179352123 /nfs/dbraw/zinc/35/21/23/179352123.db2.gz HYWTVQMJWSWKIQ-HNNXBMFYSA-N 2 2 288.439 2.968 10 0 CFAELP CC(C)[N@@H+]1CCC[C@]([NH2+]C2CC2)(c2nccs2)CC1 ZINC000086851642 179359191 /nfs/dbraw/zinc/35/91/91/179359191.db2.gz ZHFMFQCFHRDALP-OAHLLOKOSA-N 2 2 279.453 2.985 10 0 CFAELP CC(C)[N@H+]1CCC[C@]([NH2+]C2CC2)(c2nccs2)CC1 ZINC000086851642 179359193 /nfs/dbraw/zinc/35/91/93/179359193.db2.gz ZHFMFQCFHRDALP-OAHLLOKOSA-N 2 2 279.453 2.985 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000105922526 186091353 /nfs/dbraw/zinc/09/13/53/186091353.db2.gz WIVZBKWCTLHWHJ-HNNXBMFYSA-N 2 2 270.380 2.678 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000105922526 186091355 /nfs/dbraw/zinc/09/13/55/186091355.db2.gz WIVZBKWCTLHWHJ-HNNXBMFYSA-N 2 2 270.380 2.678 10 0 CFAELP CC[N@@H+]1CCC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000110102452 186285273 /nfs/dbraw/zinc/28/52/73/186285273.db2.gz IXZWORAQDFOTLS-CYBMUJFWSA-N 2 2 260.385 2.559 10 0 CFAELP CC[N@H+]1CCC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000110102452 186285274 /nfs/dbraw/zinc/28/52/74/186285274.db2.gz IXZWORAQDFOTLS-CYBMUJFWSA-N 2 2 260.385 2.559 10 0 CFAELP C[N@H+](CC1CCOCC1)[C@@H](C[NH3+])c1ccccc1Cl ZINC000111239123 186375192 /nfs/dbraw/zinc/37/51/92/186375192.db2.gz WXMLGXPKMPEWQE-HNNXBMFYSA-N 2 2 282.815 2.698 10 0 CFAELP C[N@@H+](CC1CCOCC1)[C@@H](C[NH3+])c1ccccc1Cl ZINC000111239123 186375193 /nfs/dbraw/zinc/37/51/93/186375193.db2.gz WXMLGXPKMPEWQE-HNNXBMFYSA-N 2 2 282.815 2.698 10 0 CFAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2nccc3ccccc32)CC1 ZINC000616600222 352379564 /nfs/dbraw/zinc/37/95/64/352379564.db2.gz ALLUSPYNOMIMJJ-OAHLLOKOSA-N 2 2 269.392 2.763 10 0 CFAELP [NH3+]CC[N@H+]1CCC[C@@H](c2nccc3ccccc32)CC1 ZINC000616600222 352379568 /nfs/dbraw/zinc/37/95/68/352379568.db2.gz ALLUSPYNOMIMJJ-OAHLLOKOSA-N 2 2 269.392 2.763 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1ccc2ccccc2n1 ZINC000616614767 352384768 /nfs/dbraw/zinc/38/47/68/352384768.db2.gz LGIPNMJIYBWGHH-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1ccc2ccccc2n1 ZINC000616614767 352384771 /nfs/dbraw/zinc/38/47/71/352384771.db2.gz LGIPNMJIYBWGHH-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1cccc2cnccc21 ZINC000616623271 352388210 /nfs/dbraw/zinc/38/82/10/352388210.db2.gz DHZMHJWDSSKEDH-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1cccc2cnccc21 ZINC000616623271 352388211 /nfs/dbraw/zinc/38/82/11/352388211.db2.gz DHZMHJWDSSKEDH-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP CC(=O)Nc1ccc([C@H]2CCCCC[N@@H+]2CC[NH3+])cc1 ZINC000616624451 352389030 /nfs/dbraw/zinc/38/90/30/352389030.db2.gz NUFQEXHPIOPHKS-MRXNPFEDSA-N 2 2 275.396 2.521 10 0 CFAELP CC(=O)Nc1ccc([C@H]2CCCCC[N@H+]2CC[NH3+])cc1 ZINC000616624451 352389034 /nfs/dbraw/zinc/38/90/34/352389034.db2.gz NUFQEXHPIOPHKS-MRXNPFEDSA-N 2 2 275.396 2.521 10 0 CFAELP CCOC(=O)c1ccc([C@H]2CCCCC[N@@H+]2CC[NH3+])cc1 ZINC000616624822 352389114 /nfs/dbraw/zinc/38/91/14/352389114.db2.gz RWBZHJUQVRPRFB-MRXNPFEDSA-N 2 2 290.407 2.739 10 0 CFAELP CCOC(=O)c1ccc([C@H]2CCCCC[N@H+]2CC[NH3+])cc1 ZINC000616624822 352389117 /nfs/dbraw/zinc/38/91/17/352389117.db2.gz RWBZHJUQVRPRFB-MRXNPFEDSA-N 2 2 290.407 2.739 10 0 CFAELP COc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1F ZINC000151964739 540401578 /nfs/dbraw/zinc/40/15/78/540401578.db2.gz UPHKCONDABZNKD-CQSZACIVSA-N 2 2 289.354 2.695 10 0 CFAELP Cc1nc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1 ZINC000178300655 189105495 /nfs/dbraw/zinc/10/54/95/189105495.db2.gz RQLOGCURZFGBBI-AWEZNQCLSA-N 2 2 276.409 2.621 10 0 CFAELP Cc1nc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1 ZINC000178300655 189105496 /nfs/dbraw/zinc/10/54/96/189105496.db2.gz RQLOGCURZFGBBI-AWEZNQCLSA-N 2 2 276.409 2.621 10 0 CFAELP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1F ZINC000180210985 189243731 /nfs/dbraw/zinc/24/37/31/189243731.db2.gz IDUGIPUPIHKTPU-YOEHRIQHSA-N 2 2 294.414 2.713 10 0 CFAELP CSc1ccc([C@@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000034938042 372518687 /nfs/dbraw/zinc/51/86/87/372518687.db2.gz XNIKGUPFVXLJLL-CQSZACIVSA-N 2 2 250.411 2.894 10 0 CFAELP CCc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccc(C)cc2)[nH+]1 ZINC000070455788 374180323 /nfs/dbraw/zinc/18/03/23/374180323.db2.gz WQVHALJWDVOCCO-CQSZACIVSA-N 2 2 282.391 2.552 10 0 CFAELP Cc1nc(NC[C@@H]2CCC[NH2+]C2)cc(-c2ccccc2)[nH+]1 ZINC000070456379 374182170 /nfs/dbraw/zinc/18/21/70/374182170.db2.gz WJLIRMNUSGQFDE-CQSZACIVSA-N 2 2 282.391 2.864 10 0 CFAELP FC(F)(F)c1cc[nH+]c(NCC[C@H]2CC[NH2+]C2)c1 ZINC000090803973 375031391 /nfs/dbraw/zinc/03/13/91/375031391.db2.gz RXISZXQAHVDFHH-SECBINFHSA-N 2 2 259.275 2.512 10 0 CFAELP C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000121449304 376835525 /nfs/dbraw/zinc/83/55/25/376835525.db2.gz JENBQEHYCKRNID-HEHGZKQESA-N 2 2 271.364 2.700 10 0 CFAELP CCCn1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000128251794 377326828 /nfs/dbraw/zinc/32/68/28/377326828.db2.gz RJSIMEZJBQBXLT-OAHLLOKOSA-N 2 2 299.422 2.622 10 0 CFAELP CCCn1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000128251794 377326838 /nfs/dbraw/zinc/32/68/38/377326838.db2.gz RJSIMEZJBQBXLT-OAHLLOKOSA-N 2 2 299.422 2.622 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2C)C1 ZINC000133020547 377895934 /nfs/dbraw/zinc/89/59/34/377895934.db2.gz VCRKHDQLFNCRSY-QRTARXTBSA-N 2 2 258.409 2.994 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2C)C1 ZINC000133020547 377895938 /nfs/dbraw/zinc/89/59/38/377895938.db2.gz VCRKHDQLFNCRSY-QRTARXTBSA-N 2 2 258.409 2.994 10 0 CFAELP CC[N@@H+]1CCC[C@H](Nc2cc[nH+]cc2Br)C1 ZINC000132502960 377848607 /nfs/dbraw/zinc/84/86/07/377848607.db2.gz OVJRREQOFFXERV-JTQLQIEISA-N 2 2 284.201 2.740 10 0 CFAELP CC[N@H+]1CCC[C@H](Nc2cc[nH+]cc2Br)C1 ZINC000132502960 377848612 /nfs/dbraw/zinc/84/86/12/377848612.db2.gz OVJRREQOFFXERV-JTQLQIEISA-N 2 2 284.201 2.740 10 0 CFAELP c1cc(N2CCCCC2)[nH+]cc1N[C@@H]1CCC[NH2+]CC1 ZINC000133655863 377947760 /nfs/dbraw/zinc/94/77/60/377947760.db2.gz UTDIIMFRNUKMEP-CQSZACIVSA-N 2 2 274.412 2.626 10 0 CFAELP O[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000135631436 378151562 /nfs/dbraw/zinc/15/15/62/378151562.db2.gz UPJSNJWMUGZVKU-IAGOWNOFSA-N 2 2 285.391 2.656 10 0 CFAELP C[C@@H]([NH3+])C1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000168594490 379092801 /nfs/dbraw/zinc/09/28/01/379092801.db2.gz BEKKCLQXJYBTBY-GFCCVEGCSA-N 2 2 255.365 2.798 10 0 CFAELP [NH3+]CCCOC1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000168735541 379094998 /nfs/dbraw/zinc/09/49/98/379094998.db2.gz BCKUXTLRCMSADV-UHFFFAOYSA-N 2 2 285.391 2.569 10 0 CFAELP C[NH2+]C[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000168716482 379096011 /nfs/dbraw/zinc/09/60/11/379096011.db2.gz IOCNTIOOOZXSDK-CYBMUJFWSA-N 2 2 255.365 2.671 10 0 CFAELP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cn2cc(C)ccc2[nH+]1 ZINC000175343384 380048332 /nfs/dbraw/zinc/04/83/32/380048332.db2.gz QJVHJUJBZRKSRL-MRXNPFEDSA-N 2 2 286.423 2.559 10 0 CFAELP CC[N@H+]1CCC[C@@H]1CN(C)Cc1cn2cc(C)ccc2[nH+]1 ZINC000175343384 380048335 /nfs/dbraw/zinc/04/83/35/380048335.db2.gz QJVHJUJBZRKSRL-MRXNPFEDSA-N 2 2 286.423 2.559 10 0 CFAELP Cc1cc(N[C@H](CCC[NH3+])c2ccccc2)nc[nH+]1 ZINC000336813874 380674561 /nfs/dbraw/zinc/67/45/61/380674561.db2.gz DIUFCDPSZZWRQO-CQSZACIVSA-N 2 2 256.353 2.677 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000181983880 380957136 /nfs/dbraw/zinc/95/71/36/380957136.db2.gz MRKMDQKTUWOPIE-SUMWQHHRSA-N 2 2 289.423 2.780 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000181983880 380957153 /nfs/dbraw/zinc/95/71/53/380957153.db2.gz MRKMDQKTUWOPIE-SUMWQHHRSA-N 2 2 289.423 2.780 10 0 CFAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000343720385 381905885 /nfs/dbraw/zinc/90/58/85/381905885.db2.gz VCNDKYZIGSEETR-MRXNPFEDSA-N 2 2 292.467 2.894 10 0 CFAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000343720385 381905891 /nfs/dbraw/zinc/90/58/91/381905891.db2.gz VCNDKYZIGSEETR-MRXNPFEDSA-N 2 2 292.467 2.894 10 0 CFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187366801 382164604 /nfs/dbraw/zinc/16/46/04/382164604.db2.gz YEOUTRLHEWEGEH-IPYPFGDCSA-N 2 2 270.486 2.836 10 0 CFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187366801 382164607 /nfs/dbraw/zinc/16/46/07/382164607.db2.gz YEOUTRLHEWEGEH-IPYPFGDCSA-N 2 2 270.486 2.836 10 0 CFAELP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328626408 382555865 /nfs/dbraw/zinc/55/58/65/382555865.db2.gz FANRIMQWCURLHR-XBVQOTNRSA-N 2 2 273.424 2.853 10 0 CFAELP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328626408 382555869 /nfs/dbraw/zinc/55/58/69/382555869.db2.gz FANRIMQWCURLHR-XBVQOTNRSA-N 2 2 273.424 2.853 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OCC(C)C)C2(C)C)C1 ZINC000389403180 382614443 /nfs/dbraw/zinc/61/44/43/382614443.db2.gz LDZWEXGCFZZSOZ-RRFJBIMHSA-N 2 2 268.445 2.510 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OCC(C)C)C2(C)C)C1 ZINC000389403180 382614446 /nfs/dbraw/zinc/61/44/46/382614446.db2.gz LDZWEXGCFZZSOZ-RRFJBIMHSA-N 2 2 268.445 2.510 10 0 CFAELP c1ccc2c(C[NH2+]CC[N@H+]3CC=CCC3)ccnc2c1 ZINC000392312177 382621895 /nfs/dbraw/zinc/62/18/95/382621895.db2.gz MLXAKLIHEJDTAS-UHFFFAOYSA-N 2 2 267.376 2.586 10 0 CFAELP c1ccc2c(C[NH2+]CC[N@@H+]3CC=CCC3)ccnc2c1 ZINC000392312177 382621898 /nfs/dbraw/zinc/62/18/98/382621898.db2.gz MLXAKLIHEJDTAS-UHFFFAOYSA-N 2 2 267.376 2.586 10 0 CFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@H]2C=CCCC2)C1 ZINC000195275784 382765918 /nfs/dbraw/zinc/76/59/18/382765918.db2.gz ICJZDSUFRIUSML-MSOLQXFVSA-N 2 2 285.435 2.944 10 0 CFAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@H]2C=CCCC2)C1 ZINC000195275784 382765919 /nfs/dbraw/zinc/76/59/19/382765919.db2.gz ICJZDSUFRIUSML-MSOLQXFVSA-N 2 2 285.435 2.944 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000195275784 382765921 /nfs/dbraw/zinc/76/59/21/382765921.db2.gz ICJZDSUFRIUSML-MSOLQXFVSA-N 2 2 285.435 2.944 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+]([C@H]2C=CCCC2)C1 ZINC000195275784 382765923 /nfs/dbraw/zinc/76/59/23/382765923.db2.gz ICJZDSUFRIUSML-MSOLQXFVSA-N 2 2 285.435 2.944 10 0 CFAELP [NH3+]CCCC[C@H]([NH3+])c1cc(Cl)c(O)c(Cl)c1 ZINC000575440191 382771746 /nfs/dbraw/zinc/77/17/46/382771746.db2.gz NDERGELLFJBIKY-JTQLQIEISA-N 2 2 263.168 2.828 10 0 CFAELP C[NH+](C)C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000224297894 382810178 /nfs/dbraw/zinc/81/01/78/382810178.db2.gz JGAZJRZLVKEBQC-ZFWWWQNUSA-N 2 2 264.438 2.632 10 0 CFAELP Cc1cc[nH+]c(N[C@@H](C)CCC[NH3+])c1Br ZINC000235067989 382876991 /nfs/dbraw/zinc/87/69/91/382876991.db2.gz WYRZBUKVSSRCPC-VIFPVBQESA-N 2 2 272.190 2.692 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000249484998 383347652 /nfs/dbraw/zinc/34/76/52/383347652.db2.gz XYZBOVSSDQWCGW-WBVHZDCISA-N 2 2 260.425 2.939 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000249484998 383347657 /nfs/dbraw/zinc/34/76/57/383347657.db2.gz XYZBOVSSDQWCGW-WBVHZDCISA-N 2 2 260.425 2.939 10 0 CFAELP CC(C)(C)c1csc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000261583907 383519602 /nfs/dbraw/zinc/51/96/02/383519602.db2.gz HLSGCCJGRLGHJF-QJPTWQEYSA-N 2 2 279.453 2.610 10 0 CFAELP CC(C)(C)c1csc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000261583907 383519608 /nfs/dbraw/zinc/51/96/08/383519608.db2.gz HLSGCCJGRLGHJF-QJPTWQEYSA-N 2 2 279.453 2.610 10 0 CFAELP C[N@H+](Cc1sccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000261586241 383520398 /nfs/dbraw/zinc/52/03/98/383520398.db2.gz QWXGVMCLIZDDEH-SNVBAGLBSA-N 2 2 258.818 2.975 10 0 CFAELP C[N@@H+](Cc1sccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000261586241 383520405 /nfs/dbraw/zinc/52/04/05/383520405.db2.gz QWXGVMCLIZDDEH-SNVBAGLBSA-N 2 2 258.818 2.975 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)s3)C[C@H]12 ZINC000261954101 383585770 /nfs/dbraw/zinc/58/57/70/383585770.db2.gz OKUQFCMQDCSMOR-INTQDDNPSA-N 2 2 290.354 2.936 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)s3)C[C@H]12 ZINC000261954101 383585776 /nfs/dbraw/zinc/58/57/76/383585776.db2.gz OKUQFCMQDCSMOR-INTQDDNPSA-N 2 2 290.354 2.936 10 0 CFAELP CC[N@H+](Cc1nccn1-c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000261961106 383587115 /nfs/dbraw/zinc/58/71/15/383587115.db2.gz PGNCODAXINMLFZ-INIZCTEOSA-N 2 2 298.434 2.836 10 0 CFAELP CC[N@@H+](Cc1nccn1-c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000261961106 383587119 /nfs/dbraw/zinc/58/71/19/383587119.db2.gz PGNCODAXINMLFZ-INIZCTEOSA-N 2 2 298.434 2.836 10 0 CFAELP CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cn1 ZINC000262007821 383593555 /nfs/dbraw/zinc/59/35/55/383593555.db2.gz UTTGXIGHIBCNCW-KRWDZBQOSA-N 2 2 296.418 2.773 10 0 CFAELP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cn1 ZINC000262007821 383593561 /nfs/dbraw/zinc/59/35/61/383593561.db2.gz UTTGXIGHIBCNCW-KRWDZBQOSA-N 2 2 296.418 2.773 10 0 CFAELP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)o2)C[C@@H]1[NH3+] ZINC000262045946 383600188 /nfs/dbraw/zinc/60/01/88/383600188.db2.gz PRZSSLDMQIZBGB-DOMZBBRYSA-N 2 2 256.349 2.726 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)C[C@@H]1[NH3+] ZINC000262045946 383600192 /nfs/dbraw/zinc/60/01/92/383600192.db2.gz PRZSSLDMQIZBGB-DOMZBBRYSA-N 2 2 256.349 2.726 10 0 CFAELP Cc1cc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc(C)c1OC(F)F ZINC000262098576 383604733 /nfs/dbraw/zinc/60/47/33/383604733.db2.gz VJMOTXLPXGCJAG-YPMHNXCESA-N 2 2 284.350 2.684 10 0 CFAELP Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc(C)c1OC(F)F ZINC000262098576 383604736 /nfs/dbraw/zinc/60/47/36/383604736.db2.gz VJMOTXLPXGCJAG-YPMHNXCESA-N 2 2 284.350 2.684 10 0 CFAELP [NH3+]Cc1nc(C[N@@H+]2CCCCC[C@@H]2c2ccccc2)no1 ZINC000262316613 383616378 /nfs/dbraw/zinc/61/63/78/383616378.db2.gz ZSPZGTCTRBDLEN-CQSZACIVSA-N 2 2 286.379 2.646 10 0 CFAELP [NH3+]Cc1nc(C[N@H+]2CCCCC[C@@H]2c2ccccc2)no1 ZINC000262316613 383616383 /nfs/dbraw/zinc/61/63/83/383616383.db2.gz ZSPZGTCTRBDLEN-CQSZACIVSA-N 2 2 286.379 2.646 10 0 CFAELP Cc1nc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000271841912 385394372 /nfs/dbraw/zinc/39/43/72/385394372.db2.gz QKWQEKWUHOKZRG-ZDUSSCGKSA-N 2 2 270.380 2.717 10 0 CFAELP Cc1nc(N2CCC[C@H]2Cn2cc[nH+]c2)c2c([nH+]1)CCCC2 ZINC000272802003 385619167 /nfs/dbraw/zinc/61/91/67/385619167.db2.gz AULTUWGXOLYEOZ-AWEZNQCLSA-N 2 2 297.406 2.529 10 0 CFAELP CCSCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000119286005 393916736 /nfs/dbraw/zinc/91/67/36/393916736.db2.gz RFLGVZZHPQTBMF-CYBMUJFWSA-N 2 2 267.442 2.836 10 0 CFAELP CCSCC[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000119286005 393916737 /nfs/dbraw/zinc/91/67/37/393916737.db2.gz RFLGVZZHPQTBMF-CYBMUJFWSA-N 2 2 267.442 2.836 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1F ZINC000358404919 394107567 /nfs/dbraw/zinc/10/75/67/394107567.db2.gz QTCQXNBXBOOPSF-TYNCELHUSA-N 2 2 250.361 2.735 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1F ZINC000358404919 394107571 /nfs/dbraw/zinc/10/75/71/394107571.db2.gz QTCQXNBXBOOPSF-TYNCELHUSA-N 2 2 250.361 2.735 10 0 CFAELP C[C@@H]([NH2+][C@@H](C[NH+](C)C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000037220938 543027879 /nfs/dbraw/zinc/02/78/79/543027879.db2.gz HYNUQTQSUJIMRY-QAPCUYQASA-N 3 2 289.467 2.609 10 0 CFAELP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000311677445 413089469 /nfs/dbraw/zinc/08/94/69/413089469.db2.gz IHRRGUPJGGIZCX-WFASDCNBSA-N 2 2 284.831 2.692 10 0 CFAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000311677445 413089475 /nfs/dbraw/zinc/08/94/75/413089475.db2.gz IHRRGUPJGGIZCX-WFASDCNBSA-N 2 2 284.831 2.692 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C12CCC2 ZINC000087710127 286395894 /nfs/dbraw/zinc/39/58/94/286395894.db2.gz CTJRRAQORSRXHI-HRCADAONSA-N 2 2 282.472 2.900 10 0 CFAELP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)n1C ZINC000657285506 413396395 /nfs/dbraw/zinc/39/63/95/413396395.db2.gz DTWBPJYXTCHWJM-VIFPVBQESA-N 2 2 265.307 2.858 10 0 CFAELP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cc(F)ccc2F)n1C ZINC000657300824 413418861 /nfs/dbraw/zinc/41/88/61/413418861.db2.gz NMEYXPCRTOAMBP-VIFPVBQESA-N 2 2 265.307 2.858 10 0 CFAELP CCOc1cccc([C@@H](C[NH3+])[N@H+](C)CC(C)C)c1 ZINC000020226206 171090603 /nfs/dbraw/zinc/09/06/03/171090603.db2.gz NVBXOKLBMMMMLV-OAHLLOKOSA-N 2 2 250.386 2.673 10 0 CFAELP CCOc1cccc([C@@H](C[NH3+])[N@@H+](C)CC(C)C)c1 ZINC000020226206 171090605 /nfs/dbraw/zinc/09/06/05/171090605.db2.gz NVBXOKLBMMMMLV-OAHLLOKOSA-N 2 2 250.386 2.673 10 0 CFAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000020305299 171141486 /nfs/dbraw/zinc/14/14/86/171141486.db2.gz BQXOPDZSRKRDHK-OAHLLOKOSA-N 2 2 262.397 2.583 10 0 CFAELP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000020305299 171141487 /nfs/dbraw/zinc/14/14/87/171141487.db2.gz BQXOPDZSRKRDHK-OAHLLOKOSA-N 2 2 262.397 2.583 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000022216368 171375794 /nfs/dbraw/zinc/37/57/94/171375794.db2.gz HFGAEKBLCBOJGA-XJKCOSOUSA-N 2 2 262.397 2.673 10 0 CFAELP COc1ccccc1[C@@H](C[NH3+])[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022221175 171378076 /nfs/dbraw/zinc/37/80/76/171378076.db2.gz JQJMVGYOLPLJQH-UMVBOHGHSA-N 2 2 262.397 2.673 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)C12CC3CC(CC(C3)C1)C2 ZINC000035503986 172237893 /nfs/dbraw/zinc/23/78/93/172237893.db2.gz VTLBRJOSKYZYGX-MHCOZEDOSA-N 2 2 259.397 2.757 10 0 CFAELP Cc1cc2[nH+]cn([C@@H](C[NH3+])C(F)(F)F)c2cc1C ZINC000037169790 173004146 /nfs/dbraw/zinc/00/41/46/173004146.db2.gz FMWTXXNHMFKELZ-NSHDSACASA-N 2 2 257.259 2.715 10 0 CFAELP Cc1ccc([C@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)c(C)c1 ZINC000037174467 173009010 /nfs/dbraw/zinc/00/90/10/173009010.db2.gz CAEDLJAWZGNOJG-HIFRSBDPSA-N 2 2 264.438 2.741 10 0 CFAELP Cc1ccc([C@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)c(C)c1 ZINC000037174467 173009011 /nfs/dbraw/zinc/00/90/11/173009011.db2.gz CAEDLJAWZGNOJG-HIFRSBDPSA-N 2 2 264.438 2.741 10 0 CFAELP CSc1ccc([C@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174561 173009401 /nfs/dbraw/zinc/00/94/01/173009401.db2.gz DWEQXMYJKLIVTD-OCCSQVGLSA-N 2 2 282.478 2.846 10 0 CFAELP CSc1ccc([C@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174561 173009402 /nfs/dbraw/zinc/00/94/02/173009402.db2.gz DWEQXMYJKLIVTD-OCCSQVGLSA-N 2 2 282.478 2.846 10 0 CFAELP CO[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037314066 173115604 /nfs/dbraw/zinc/11/56/04/173115604.db2.gz KGCNNLZOVNOAPA-KBXIAJHMSA-N 2 2 263.385 2.524 10 0 CFAELP CCCn1c(CCC[NH3+])[nH+]c2cccc(Cl)c21 ZINC000037444157 173212091 /nfs/dbraw/zinc/21/20/91/173212091.db2.gz XQZAKLWOOYBZMK-UHFFFAOYSA-N 2 2 251.761 2.991 10 0 CFAELP CCCC1CCC(C[NH3+])([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000037489509 173231496 /nfs/dbraw/zinc/23/14/96/173231496.db2.gz ZKNFCTHYHCHJEW-PJPHBNEVSA-N 2 2 268.445 2.783 10 0 CFAELP CCCC1CCC(C[NH3+])([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000037489509 173231498 /nfs/dbraw/zinc/23/14/98/173231498.db2.gz ZKNFCTHYHCHJEW-PJPHBNEVSA-N 2 2 268.445 2.783 10 0 CFAELP Cc1[nH]c(CC2CC[NH2+]CC2)[nH+]c1-c1ccccc1 ZINC000038076128 174086586 /nfs/dbraw/zinc/08/65/86/174086586.db2.gz RQQQTOQNBKZNKJ-UHFFFAOYSA-N 2 2 255.365 2.927 10 0 CFAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000038827561 174156492 /nfs/dbraw/zinc/15/64/92/174156492.db2.gz DMSKXPZWWDQRKS-HNNXBMFYSA-N 2 2 250.386 2.817 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000040638642 174363252 /nfs/dbraw/zinc/36/32/52/174363252.db2.gz KYPGIIVNKCAJSU-UHFFFAOYSA-N 2 2 283.297 2.771 10 0 CFAELP Cc1cc([C@@H](C)[NH2+]CCc2[nH+]ccn2C)c(C)s1 ZINC000040638960 174363377 /nfs/dbraw/zinc/36/33/77/174363377.db2.gz BEECTLPFNYKMOS-LLVKDONJSA-N 2 2 263.410 2.992 10 0 CFAELP Cc1cc(C)c([C@@H](C)[NH2+]CCc2[nH+]ccn2C)c(C)n1 ZINC000040639291 174363519 /nfs/dbraw/zinc/36/35/19/174363519.db2.gz TZPFUVGLAKXPPP-CYBMUJFWSA-N 2 2 272.396 2.634 10 0 CFAELP CCOC1CC[NH+]([C@@H](C[NH3+])c2ccc(C)cc2C)CC1 ZINC000040689129 174375823 /nfs/dbraw/zinc/37/58/23/174375823.db2.gz HLDRSXSRRDLJBF-KRWDZBQOSA-N 2 2 276.424 2.804 10 0 CFAELP [NH3+]C[C@H]1CCCCC[C@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693653 174377532 /nfs/dbraw/zinc/37/75/32/174377532.db2.gz URIYLZHXMIWLOY-SJLPKXTDSA-N 3 2 293.499 2.844 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(F)cc1)[N@H+](CC)[C@@H](C)COC ZINC000042915759 174915311 /nfs/dbraw/zinc/91/53/11/174915311.db2.gz WYZHRFLRWJPISH-RCBQFDQVSA-N 2 2 282.403 2.961 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(F)cc1)[N@@H+](CC)[C@@H](C)COC ZINC000042915759 174915312 /nfs/dbraw/zinc/91/53/12/174915312.db2.gz WYZHRFLRWJPISH-RCBQFDQVSA-N 2 2 282.403 2.961 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1cccc(F)c1)[N@H+](CC)[C@@H](C)COC ZINC000042973089 174936873 /nfs/dbraw/zinc/93/68/73/174936873.db2.gz JWMHAVGLWBABEM-RCBQFDQVSA-N 2 2 282.403 2.961 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1cccc(F)c1)[N@@H+](CC)[C@@H](C)COC ZINC000042973089 174936875 /nfs/dbraw/zinc/93/68/75/174936875.db2.gz JWMHAVGLWBABEM-RCBQFDQVSA-N 2 2 282.403 2.961 10 0 CFAELP CC[N@H+](CCOC)[C@@H](c1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000043015547 174942039 /nfs/dbraw/zinc/94/20/39/174942039.db2.gz HGCVPECFOFOPCX-BXUZGUMPSA-N 2 2 270.804 2.697 10 0 CFAELP CC[N@@H+](CCOC)[C@@H](c1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000043015547 174942040 /nfs/dbraw/zinc/94/20/40/174942040.db2.gz HGCVPECFOFOPCX-BXUZGUMPSA-N 2 2 270.804 2.697 10 0 CFAELP CCOC1CC[NH+]([C@H](C[NH3+])c2cccc(C)c2C)CC1 ZINC000043314750 175004483 /nfs/dbraw/zinc/00/44/83/175004483.db2.gz CVMWOISOMXVYIT-QGZVFWFLSA-N 2 2 276.424 2.804 10 0 CFAELP Cc1cccc([C@H](C[NH3+])[NH+]2CCC(C[NH+](C)C)CC2)c1C ZINC000043314985 175004694 /nfs/dbraw/zinc/00/46/94/175004694.db2.gz LVHJBMIOVXXSKJ-SFHVURJKSA-N 3 2 289.467 2.577 10 0 CFAELP C[C@H]([NH3+])[C@H](c1ccccn1)n1cc[nH+]c1-c1ccccc1 ZINC000043341493 175015531 /nfs/dbraw/zinc/01/55/31/175015531.db2.gz AUHIORLTJNFXTE-XJKSGUPXSA-N 2 2 278.359 2.882 10 0 CFAELP C[C@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)CC1CCCCC1 ZINC000043354249 175021203 /nfs/dbraw/zinc/02/12/03/175021203.db2.gz UUIBUXYRMQRREL-XJKSGUPXSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)CC1CCCCC1 ZINC000043354249 175021205 /nfs/dbraw/zinc/02/12/05/175021205.db2.gz UUIBUXYRMQRREL-XJKSGUPXSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+](CC(C)C)C1CC1 ZINC000043354658 175022437 /nfs/dbraw/zinc/02/24/37/175022437.db2.gz FZFIPUVATVGYLV-HZPDHXFCSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](CC(C)C)C1CC1 ZINC000043354658 175022438 /nfs/dbraw/zinc/02/24/38/175022438.db2.gz FZFIPUVATVGYLV-HZPDHXFCSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+]1CCCSCC1 ZINC000043364689 175025941 /nfs/dbraw/zinc/02/59/41/175025941.db2.gz LEOLPEWUXRNKDF-OCCSQVGLSA-N 2 2 268.426 2.805 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+]1CCCSCC1 ZINC000043364689 175025943 /nfs/dbraw/zinc/02/59/43/175025943.db2.gz LEOLPEWUXRNKDF-OCCSQVGLSA-N 2 2 268.426 2.805 10 0 CFAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+](CCO)C2CCCCC2)o1 ZINC000043365190 175025999 /nfs/dbraw/zinc/02/59/99/175025999.db2.gz SDCWMOUTEISNBD-CZUORRHYSA-N 2 2 280.412 2.603 10 0 CFAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+](CCO)C2CCCCC2)o1 ZINC000043365190 175026001 /nfs/dbraw/zinc/02/60/01/175026001.db2.gz SDCWMOUTEISNBD-CZUORRHYSA-N 2 2 280.412 2.603 10 0 CFAELP CC[C@H](C)[N@H+](CCOC)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043365249 175026419 /nfs/dbraw/zinc/02/64/19/175026419.db2.gz IWROIJAUBBSALN-NJZAAPMLSA-N 2 2 268.401 2.723 10 0 CFAELP CC[C@H](C)[N@@H+](CCOC)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043365249 175026420 /nfs/dbraw/zinc/02/64/20/175026420.db2.gz IWROIJAUBBSALN-NJZAAPMLSA-N 2 2 268.401 2.723 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](CCO)C1CCCC1 ZINC000043365207 175026521 /nfs/dbraw/zinc/02/65/21/175026521.db2.gz CAKOZXVYZWUHJO-GDBMZVCRSA-N 2 2 280.412 2.603 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](CCO)C1CCCC1 ZINC000043365207 175026522 /nfs/dbraw/zinc/02/65/22/175026522.db2.gz CAKOZXVYZWUHJO-GDBMZVCRSA-N 2 2 280.412 2.603 10 0 CFAELP Cc1cc(C)cc([C@H](C[NH3+])[N@H+](C)C[C@@H]2CCCCO2)c1 ZINC000043394367 175034681 /nfs/dbraw/zinc/03/46/81/175034681.db2.gz ABGNELKHWFTWMD-IRXDYDNUSA-N 2 2 276.424 2.804 10 0 CFAELP Cc1cc(C)cc([C@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCCO2)c1 ZINC000043394367 175034682 /nfs/dbraw/zinc/03/46/82/175034682.db2.gz ABGNELKHWFTWMD-IRXDYDNUSA-N 2 2 276.424 2.804 10 0 CFAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)C1CCCCC1)OCCO2 ZINC000043815107 175111823 /nfs/dbraw/zinc/11/18/23/175111823.db2.gz NZTBKYHRDIMPFD-CVEARBPZSA-N 2 2 296.455 2.525 10 0 CFAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)C1CCCCC1)OCCO2 ZINC000043815107 175111824 /nfs/dbraw/zinc/11/18/24/175111824.db2.gz NZTBKYHRDIMPFD-CVEARBPZSA-N 2 2 296.455 2.525 10 0 CFAELP CC[NH2+][C@H](C[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC000043816063 175112130 /nfs/dbraw/zinc/11/21/30/175112130.db2.gz GDTVLHSXEDKWGH-IBHBGHMQSA-N 2 2 250.430 2.743 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@H]1[NH+]1CCCCCCC1)OCCO2 ZINC000043819247 175113595 /nfs/dbraw/zinc/11/35/95/175113595.db2.gz ICAHUEFQTIJZQT-JKSUJKDBSA-N 2 2 296.455 2.526 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@H]1[N@H+](C)CCc1ccccn1 ZINC000043818716 175113847 /nfs/dbraw/zinc/11/38/47/175113847.db2.gz COBCWPMQEUPVMN-IAGOWNOFSA-N 2 2 275.440 2.867 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818716 175113848 /nfs/dbraw/zinc/11/38/48/175113848.db2.gz COBCWPMQEUPVMN-IAGOWNOFSA-N 2 2 275.440 2.867 10 0 CFAELP CC[N@H+](C)C[C@@H]([NH2+]C)C12CC3CC(CC(C3)C1)C2 ZINC000043820003 175113876 /nfs/dbraw/zinc/11/38/76/175113876.db2.gz HGWDBLRYTHGDED-IBHBGHMQSA-N 2 2 250.430 2.743 10 0 CFAELP CC[N@@H+](C)C[C@@H]([NH2+]C)C12CC3CC(CC(C3)C1)C2 ZINC000043820003 175113877 /nfs/dbraw/zinc/11/38/77/175113877.db2.gz HGWDBLRYTHGDED-IBHBGHMQSA-N 2 2 250.430 2.743 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@H+](C)CCc1ccccn1 ZINC000043818817 175113928 /nfs/dbraw/zinc/11/39/28/175113928.db2.gz BNUWGRSPNMSITL-IAGOWNOFSA-N 2 2 275.440 2.867 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818817 175113929 /nfs/dbraw/zinc/11/39/29/175113929.db2.gz BNUWGRSPNMSITL-IAGOWNOFSA-N 2 2 275.440 2.867 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000043818938 175114070 /nfs/dbraw/zinc/11/40/70/175114070.db2.gz MLORALCXXLEBFF-IRXDYDNUSA-N 2 2 275.440 2.867 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818938 175114073 /nfs/dbraw/zinc/11/40/73/175114073.db2.gz MLORALCXXLEBFF-IRXDYDNUSA-N 2 2 275.440 2.867 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@@H+]1CCOC[C@@H]1CC ZINC000043899234 175121909 /nfs/dbraw/zinc/12/19/09/175121909.db2.gz IUHMFPIFXOVSGR-RRFJBIMHSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@H+]1CCOC[C@@H]1CC ZINC000043899234 175121911 /nfs/dbraw/zinc/12/19/11/175121911.db2.gz IUHMFPIFXOVSGR-RRFJBIMHSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H](CC)[C@@H](C)[N@H+](C)CCc1ccncc1 ZINC000043902263 175122393 /nfs/dbraw/zinc/12/23/93/175122393.db2.gz QSHIXLYAOPWXKL-GDBMZVCRSA-N 2 2 263.429 2.723 10 0 CFAELP CCC[NH2+][C@H](CC)[C@@H](C)[N@@H+](C)CCc1ccncc1 ZINC000043902263 175122394 /nfs/dbraw/zinc/12/23/94/175122394.db2.gz QSHIXLYAOPWXKL-GDBMZVCRSA-N 2 2 263.429 2.723 10 0 CFAELP CC[NH2+][C@H](C)[C@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911664 175123569 /nfs/dbraw/zinc/12/35/69/175123569.db2.gz WJOQGHIBJMXVOS-OLZOCXBDSA-N 2 2 250.386 2.514 10 0 CFAELP CC[NH2+][C@H](C)[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911664 175123571 /nfs/dbraw/zinc/12/35/71/175123571.db2.gz WJOQGHIBJMXVOS-OLZOCXBDSA-N 2 2 250.386 2.514 10 0 CFAELP CC[NH2+][C@@H](C)[C@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000043911980 175123723 /nfs/dbraw/zinc/12/37/23/175123723.db2.gz QWSIZXZKUWDYKD-STQMWFEESA-N 2 2 250.386 2.514 10 0 CFAELP CC[NH2+][C@@H](C)[C@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911980 175123724 /nfs/dbraw/zinc/12/37/24/175123724.db2.gz QWSIZXZKUWDYKD-STQMWFEESA-N 2 2 250.386 2.514 10 0 CFAELP CC[C@H]([NH2+]C)[C@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911496 175123732 /nfs/dbraw/zinc/12/37/32/175123732.db2.gz YAJNZVZOMXCQTP-WFASDCNBSA-N 2 2 250.386 2.514 10 0 CFAELP CC[C@H]([NH2+]C)[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911496 175123733 /nfs/dbraw/zinc/12/37/33/175123733.db2.gz YAJNZVZOMXCQTP-WFASDCNBSA-N 2 2 250.386 2.514 10 0 CFAELP CC[NH2+][C@@H](CC)[C@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000043911923 175123933 /nfs/dbraw/zinc/12/39/33/175123933.db2.gz NJLDZQWHEMCYIG-BBRMVZONSA-N 2 2 264.413 2.904 10 0 CFAELP CC[NH2+][C@@H](CC)[C@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911923 175123936 /nfs/dbraw/zinc/12/39/36/175123936.db2.gz NJLDZQWHEMCYIG-BBRMVZONSA-N 2 2 264.413 2.904 10 0 CFAELP CCC[NH2+][C@@H](CCC)[C@@H](CC)[NH+](CCOC)CCOC ZINC000043912960 175124349 /nfs/dbraw/zinc/12/43/49/175124349.db2.gz LIHFDZOYOUEAPC-JKSUJKDBSA-N 2 2 288.476 2.528 10 0 CFAELP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043965883 175127441 /nfs/dbraw/zinc/12/74/41/175127441.db2.gz YRUTXVPMMCZHLT-PVAVHDDUSA-N 2 2 276.424 2.755 10 0 CFAELP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043965883 175127443 /nfs/dbraw/zinc/12/74/43/175127443.db2.gz YRUTXVPMMCZHLT-PVAVHDDUSA-N 2 2 276.424 2.755 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966243 175127894 /nfs/dbraw/zinc/12/78/94/175127894.db2.gz YKQPJOPJSSNMFK-JYJNAYRXSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966243 175127895 /nfs/dbraw/zinc/12/78/95/175127895.db2.gz YKQPJOPJSSNMFK-JYJNAYRXSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H](C[N@H+](C)C[C@@H]1CCCO1)C(C)(C)C ZINC000043966237 175128147 /nfs/dbraw/zinc/12/81/47/175128147.db2.gz WMUWVPHWASDIGZ-KBPBESRZSA-N 2 2 256.434 2.512 10 0 CFAELP CCC[NH2+][C@@H](C[N@@H+](C)C[C@@H]1CCCO1)C(C)(C)C ZINC000043966237 175128148 /nfs/dbraw/zinc/12/81/48/175128148.db2.gz WMUWVPHWASDIGZ-KBPBESRZSA-N 2 2 256.434 2.512 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2CC[C@H]1[N@H+](CC)CCOC ZINC000043968712 175129546 /nfs/dbraw/zinc/12/95/46/175129546.db2.gz ITLSXTFOGXFUGQ-SJORKVTESA-N 2 2 276.424 2.620 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2CC[C@H]1[N@@H+](CC)CCOC ZINC000043968712 175129548 /nfs/dbraw/zinc/12/95/48/175129548.db2.gz ITLSXTFOGXFUGQ-SJORKVTESA-N 2 2 276.424 2.620 10 0 CFAELP CC[N@H+](Cc1ccncc1)[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043968845 175129856 /nfs/dbraw/zinc/12/98/56/175129856.db2.gz SKBNXSCIVMKWNO-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP CC[N@@H+](Cc1ccncc1)[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043968845 175129857 /nfs/dbraw/zinc/12/98/57/175129857.db2.gz SKBNXSCIVMKWNO-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@H](C[N@H+](C)[C@@H](C)COC)c1ccc(C)cc1 ZINC000043969170 175130283 /nfs/dbraw/zinc/13/02/83/175130283.db2.gz LGTZUQQSOJPAPE-GOEBONIOSA-N 2 2 264.413 2.612 10 0 CFAELP CC[NH2+][C@H](C[N@@H+](C)[C@@H](C)COC)c1ccc(C)cc1 ZINC000043969170 175130284 /nfs/dbraw/zinc/13/02/84/175130284.db2.gz LGTZUQQSOJPAPE-GOEBONIOSA-N 2 2 264.413 2.612 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000043969333 175130434 /nfs/dbraw/zinc/13/04/34/175130434.db2.gz CQUGCJJOEYZNPX-RRQGHBQHSA-N 2 2 276.424 2.619 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969333 175130435 /nfs/dbraw/zinc/13/04/35/175130435.db2.gz CQUGCJJOEYZNPX-RRQGHBQHSA-N 2 2 276.424 2.619 10 0 CFAELP CCCc1ccc([C@@H](C[N@H+](C)[C@@H](C)COC)[NH2+]C)cc1 ZINC000043969107 175130649 /nfs/dbraw/zinc/13/06/49/175130649.db2.gz RTJGXOUITQXOKM-WMLDXEAASA-N 2 2 278.440 2.866 10 0 CFAELP CCCc1ccc([C@@H](C[N@@H+](C)[C@@H](C)COC)[NH2+]C)cc1 ZINC000043969107 175130650 /nfs/dbraw/zinc/13/06/50/175130650.db2.gz RTJGXOUITQXOKM-WMLDXEAASA-N 2 2 278.440 2.866 10 0 CFAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)[N@H+](C)[C@@H](C)COC ZINC000043969097 175130746 /nfs/dbraw/zinc/13/07/46/175130746.db2.gz DEVUOXLKQMRDIM-OFQRWUPVSA-N 2 2 264.413 2.611 10 0 CFAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)[N@@H+](C)[C@@H](C)COC ZINC000043969097 175130747 /nfs/dbraw/zinc/13/07/47/175130747.db2.gz DEVUOXLKQMRDIM-OFQRWUPVSA-N 2 2 264.413 2.611 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@H]1[N@H+](CCOC)C1CC1 ZINC000043969916 175131161 /nfs/dbraw/zinc/13/11/61/175131161.db2.gz JLFLYDKUXMVQPR-HZPDHXFCSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+](CCOC)C1CC1 ZINC000043969916 175131162 /nfs/dbraw/zinc/13/11/62/175131162.db2.gz JLFLYDKUXMVQPR-HZPDHXFCSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@H](CC)[N@H+](CCOC)C1CC1 ZINC000043969992 175131395 /nfs/dbraw/zinc/13/13/95/175131395.db2.gz PAIGRVLHFQYNTP-GJZGRUSLSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@H](CC)[N@@H+](CCOC)C1CC1 ZINC000043969992 175131397 /nfs/dbraw/zinc/13/13/97/175131397.db2.gz PAIGRVLHFQYNTP-GJZGRUSLSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H](C[N@H+](CC)[C@@H](C)COC)C(C)(C)C ZINC000043981757 175134022 /nfs/dbraw/zinc/13/40/22/175134022.db2.gz GVVHUVBKDMQAIK-UONOGXRCSA-N 2 2 258.450 2.758 10 0 CFAELP CCC[NH2+][C@H](C[N@@H+](CC)[C@@H](C)COC)C(C)(C)C ZINC000043981757 175134023 /nfs/dbraw/zinc/13/40/23/175134023.db2.gz GVVHUVBKDMQAIK-UONOGXRCSA-N 2 2 258.450 2.758 10 0 CFAELP CCC[NH2+][C@H]1c2ccccc2OC[C@@H]1n1cc[nH+]c1 ZINC000043992356 175135808 /nfs/dbraw/zinc/13/58/08/175135808.db2.gz GRGNSNITPJEFTO-ZFWWWQNUSA-N 2 2 257.337 2.558 10 0 CFAELP CC[NH2+][C@H]1CCOC[C@H]1n1c[nH+]c2cc(C)c(C)cc21 ZINC000043996697 175136909 /nfs/dbraw/zinc/13/69/09/175136909.db2.gz FVOPVCDIRALARB-XJKSGUPXSA-N 2 2 273.380 2.593 10 0 CFAELP CC[NH2+][C@@H]1CCOC[C@H]1n1c[nH+]c2cc(C)c(C)cc21 ZINC000043996695 175137213 /nfs/dbraw/zinc/13/72/13/175137213.db2.gz FVOPVCDIRALARB-CZUORRHYSA-N 2 2 273.380 2.593 10 0 CFAELP CCc1ccc([C@H](O)[C@@H](C)[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121466 175142588 /nfs/dbraw/zinc/14/25/88/175142588.db2.gz ZMSINLKXNASKPY-RDTXWAMCSA-N 2 2 290.451 2.697 10 0 CFAELP CCc1ccc([C@H](O)[C@@H](C)[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121466 175142590 /nfs/dbraw/zinc/14/25/90/175142590.db2.gz ZMSINLKXNASKPY-RDTXWAMCSA-N 2 2 290.451 2.697 10 0 CFAELP CCc1ccc([C@H](O)[C@H](C)[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121477 175142639 /nfs/dbraw/zinc/14/26/39/175142639.db2.gz ZMSINLKXNASKPY-KBXCAEBGSA-N 2 2 290.451 2.697 10 0 CFAELP CCc1ccc([C@H](O)[C@H](C)[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121477 175142641 /nfs/dbraw/zinc/14/26/41/175142641.db2.gz ZMSINLKXNASKPY-KBXCAEBGSA-N 2 2 290.451 2.697 10 0 CFAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C)c1ccc2c(c1)CCO2 ZINC000044560940 175205252 /nfs/dbraw/zinc/20/52/52/175205252.db2.gz FTCZZRQXQMYIHH-CJNGLKHVSA-N 2 2 274.408 2.756 10 0 CFAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C)c1ccc2c(c1)CCO2 ZINC000044560940 175205253 /nfs/dbraw/zinc/20/52/53/175205253.db2.gz FTCZZRQXQMYIHH-CJNGLKHVSA-N 2 2 274.408 2.756 10 0 CFAELP CCC[NH2+]CC(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000044651309 175224963 /nfs/dbraw/zinc/22/49/63/175224963.db2.gz QNLHTLGLEGDELB-UHFFFAOYSA-N 2 2 288.395 2.799 10 0 CFAELP C[N@H+](CC(C)(C)C)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000045070821 175301179 /nfs/dbraw/zinc/30/11/79/175301179.db2.gz OQCKKKWNWJLOTR-ZDUSSCGKSA-N 2 2 256.340 2.943 10 0 CFAELP C[N@@H+](CC(C)(C)C)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000045070821 175301180 /nfs/dbraw/zinc/30/11/80/175301180.db2.gz OQCKKKWNWJLOTR-ZDUSSCGKSA-N 2 2 256.340 2.943 10 0 CFAELP CCC[NH2+][C@](C)(CCCC[N@@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045367414 175362858 /nfs/dbraw/zinc/36/28/58/175362858.db2.gz DQWIFCAOXPOZKX-DOTOQJQBSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@](C)(CCCC[N@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045367414 175362859 /nfs/dbraw/zinc/36/28/59/175362859.db2.gz DQWIFCAOXPOZKX-DOTOQJQBSA-N 2 2 298.471 2.962 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367791 175362934 /nfs/dbraw/zinc/36/29/34/175362934.db2.gz CFKNGJNJCKWMCD-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367791 175362935 /nfs/dbraw/zinc/36/29/35/175362935.db2.gz CFKNGJNJCKWMCD-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@@H+]1CCC[C@@H]1CC)[NH2+]C ZINC000045367386 175363314 /nfs/dbraw/zinc/36/33/14/175363314.db2.gz RSZRNBCSYNBFSW-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@H+]1CCC[C@@H]1CC)[NH2+]C ZINC000045367386 175363316 /nfs/dbraw/zinc/36/33/16/175363316.db2.gz RSZRNBCSYNBFSW-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP COC(=O)[C@@](C)(CCCC[NH+]1CCCCCC1)[NH2+]C(C)C ZINC000045377472 175366895 /nfs/dbraw/zinc/36/68/95/175366895.db2.gz JOLCLBWLNRUGLC-QGZVFWFLSA-N 2 2 298.471 2.962 10 0 CFAELP CC[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)OC)C(C)C ZINC000045383727 175371270 /nfs/dbraw/zinc/37/12/70/175371270.db2.gz SNGXXQJGRSWBIE-INIZCTEOSA-N 2 2 284.444 2.571 10 0 CFAELP CC[N@@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)OC)C(C)C ZINC000045383727 175371271 /nfs/dbraw/zinc/37/12/71/175371271.db2.gz SNGXXQJGRSWBIE-INIZCTEOSA-N 2 2 284.444 2.571 10 0 CFAELP CCC[N@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045382252 175371287 /nfs/dbraw/zinc/37/12/87/175371287.db2.gz PUUGVHKDZREOPB-MRXNPFEDSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[N@@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045382252 175371289 /nfs/dbraw/zinc/37/12/89/175371289.db2.gz PUUGVHKDZREOPB-MRXNPFEDSA-N 2 2 284.444 2.572 10 0 CFAELP CC[N@H+]([C@@H](c1cccs1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000071312363 176119125 /nfs/dbraw/zinc/11/91/25/176119125.db2.gz FUWIBFXQSPFOJT-TZMCWYRMSA-N 2 2 250.411 2.883 10 0 CFAELP CC[N@@H+]([C@@H](c1cccs1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000071312363 176119126 /nfs/dbraw/zinc/11/91/26/176119126.db2.gz FUWIBFXQSPFOJT-TZMCWYRMSA-N 2 2 250.411 2.883 10 0 CFAELP COc1ccc(Cl)cc1[C@@H](C[NH3+])[N@H+](C)CC1CC1 ZINC000076401163 177017059 /nfs/dbraw/zinc/01/70/59/177017059.db2.gz FXENNOACDKNZLN-CYBMUJFWSA-N 2 2 268.788 2.690 10 0 CFAELP COc1ccc(Cl)cc1[C@@H](C[NH3+])[N@@H+](C)CC1CC1 ZINC000076401163 177017061 /nfs/dbraw/zinc/01/70/61/177017061.db2.gz FXENNOACDKNZLN-CYBMUJFWSA-N 2 2 268.788 2.690 10 0 CFAELP Cc1cccc2[nH+]c(C3CC[NH+](C[C@H]4CC[NH2+]C4)CC3)[nH]c21 ZINC000077288161 177249162 /nfs/dbraw/zinc/24/91/62/177249162.db2.gz VCBGGZMCJNSKER-AWEZNQCLSA-N 3 2 298.434 2.660 10 0 CFAELP Cc1cccc2[nH]c(C3CC[NH+](C[C@H]4CC[NH2+]C4)CC3)[nH+]c21 ZINC000077288161 177249163 /nfs/dbraw/zinc/24/91/63/177249163.db2.gz VCBGGZMCJNSKER-AWEZNQCLSA-N 3 2 298.434 2.660 10 0 CFAELP C[C@@H]1CC[N@H+](Cc2cccc3cccnc32)[C@@H](C[NH3+])C1 ZINC000235359752 274302986 /nfs/dbraw/zinc/30/29/86/274302986.db2.gz BXDZRVIMFFBLDS-CZUORRHYSA-N 2 2 269.392 2.794 10 0 CFAELP C[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)[C@@H](C[NH3+])C1 ZINC000235359752 274302989 /nfs/dbraw/zinc/30/29/89/274302989.db2.gz BXDZRVIMFFBLDS-CZUORRHYSA-N 2 2 269.392 2.794 10 0 CFAELP C[C@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C[C@H]1C[NH3+] ZINC000253196190 274562785 /nfs/dbraw/zinc/56/27/85/274562785.db2.gz SMZRBTXSHSPYHB-VHSXEESVSA-N 2 2 273.302 2.522 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000300536715 276179194 /nfs/dbraw/zinc/17/91/94/276179194.db2.gz WTJRAARDYSORMF-YOEHRIQHSA-N 2 2 274.408 2.844 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000300536715 276179195 /nfs/dbraw/zinc/17/91/95/276179195.db2.gz WTJRAARDYSORMF-YOEHRIQHSA-N 2 2 274.408 2.844 10 0 CFAELP CC[NH+](CC)[C@@H](C[NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000094074102 279147416 /nfs/dbraw/zinc/14/74/16/279147416.db2.gz DHCOKFRWJCCKOE-ABHNRTSZSA-N 3 2 289.467 2.929 10 0 CFAELP Clc1ccc2c(c1)CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000261782257 279292476 /nfs/dbraw/zinc/29/24/76/279292476.db2.gz FOQVQUMPAMTRJC-LBPRGKRZSA-N 2 2 264.800 2.698 10 0 CFAELP Clc1ccc2c(c1)CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000261782257 279292477 /nfs/dbraw/zinc/29/24/77/279292477.db2.gz FOQVQUMPAMTRJC-LBPRGKRZSA-N 2 2 264.800 2.698 10 0 CFAELP CCC[NH2+]C[C@@H](C(C)C)[N@H+](C)CCc1ccccn1 ZINC000052423723 519920159 /nfs/dbraw/zinc/92/01/59/519920159.db2.gz UPNMGAHMQDLSPZ-INIZCTEOSA-N 2 2 263.429 2.580 10 0 CFAELP CCC[NH2+]C[C@@H](C(C)C)[N@@H+](C)CCc1ccccn1 ZINC000052423723 519920162 /nfs/dbraw/zinc/92/01/62/519920162.db2.gz UPNMGAHMQDLSPZ-INIZCTEOSA-N 2 2 263.429 2.580 10 0 CFAELP CC[NH2+]C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCSC1 ZINC000052453673 519948639 /nfs/dbraw/zinc/94/86/39/519948639.db2.gz HYZDXUZBQBBDID-CABCVRRESA-N 2 2 264.438 2.775 10 0 CFAELP CC[NH2+]C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCSC1 ZINC000052453673 519948645 /nfs/dbraw/zinc/94/86/45/519948645.db2.gz HYZDXUZBQBBDID-CABCVRRESA-N 2 2 264.438 2.775 10 0 CFAELP CC[C@@H](C)[NH2+]CC[NH2+][C@H](C)c1sc(C)nc1C ZINC000049538835 522227650 /nfs/dbraw/zinc/22/76/50/522227650.db2.gz FJIVURZIRGCYCR-NXEZZACHSA-N 2 2 255.431 2.799 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CCc1ccco1 ZINC000049197631 519793723 /nfs/dbraw/zinc/79/37/23/519793723.db2.gz QBLOILXRCUJEFH-DZGCQCFKSA-N 2 2 252.402 2.777 10 0 CFAELP CC(C)[C@H](C[NH2+]C1CC1)[N@H+](C)Cc1ccsc1 ZINC000052457036 519815868 /nfs/dbraw/zinc/81/58/68/519815868.db2.gz YSKAVTJJFUTSJZ-AWEZNQCLSA-N 2 2 252.427 2.957 10 0 CFAELP CC(C)[C@H](C[NH2+]C1CC1)[N@@H+](C)Cc1ccsc1 ZINC000052457036 519815869 /nfs/dbraw/zinc/81/58/69/519815869.db2.gz YSKAVTJJFUTSJZ-AWEZNQCLSA-N 2 2 252.427 2.957 10 0 CFAELP CC[NH2+]C1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000049530903 519909100 /nfs/dbraw/zinc/90/91/00/519909100.db2.gz GXPHJRDPTYUCHC-LBPRGKRZSA-N 2 2 250.361 2.961 10 0 CFAELP CC[NH2+]C[C@@H]1CCCC[N@@H+]1CCCOc1ccccc1 ZINC000061815936 519948895 /nfs/dbraw/zinc/94/88/95/519948895.db2.gz NWEWFUPMGDVAAG-INIZCTEOSA-N 2 2 276.424 2.920 10 0 CFAELP CC[NH2+]C[C@@H]1CCCC[N@H+]1CCCOc1ccccc1 ZINC000061815936 519948904 /nfs/dbraw/zinc/94/89/04/519948904.db2.gz NWEWFUPMGDVAAG-INIZCTEOSA-N 2 2 276.424 2.920 10 0 CFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)C1(c2ccccc2)CC1 ZINC000061617901 520206131 /nfs/dbraw/zinc/20/61/31/520206131.db2.gz YSTGHWLROCDJRQ-CQSZACIVSA-N 2 2 255.365 2.662 10 0 CFAELP CC[N@H+](CC1CC1)[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000069237109 520966975 /nfs/dbraw/zinc/96/69/75/520966975.db2.gz GJXIYFNESNDPGG-ABAIWWIYSA-N 2 2 250.361 2.946 10 0 CFAELP CC[N@@H+](CC1CC1)[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000069237109 520966982 /nfs/dbraw/zinc/96/69/82/520966982.db2.gz GJXIYFNESNDPGG-ABAIWWIYSA-N 2 2 250.361 2.946 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@H](C[NH3+])c1cc(OC)cc(OC)c1 ZINC000069429477 521309660 /nfs/dbraw/zinc/30/96/60/521309660.db2.gz IYIZDOPUUAUDKQ-OAHLLOKOSA-N 2 2 280.412 2.824 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@H](C[NH3+])c1cc(OC)cc(OC)c1 ZINC000069429477 521309673 /nfs/dbraw/zinc/30/96/73/521309673.db2.gz IYIZDOPUUAUDKQ-OAHLLOKOSA-N 2 2 280.412 2.824 10 0 CFAELP CCC[N@H+](Cc1cc(C)ccc1OC)C(C)(C)C[NH3+] ZINC000050702863 521680880 /nfs/dbraw/zinc/68/08/80/521680880.db2.gz KCARFNDIISOKQN-UHFFFAOYSA-N 2 2 264.413 2.953 10 0 CFAELP CCC[N@@H+](Cc1cc(C)ccc1OC)C(C)(C)C[NH3+] ZINC000050702863 521680882 /nfs/dbraw/zinc/68/08/82/521680882.db2.gz KCARFNDIISOKQN-UHFFFAOYSA-N 2 2 264.413 2.953 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@H+](CC)[C@@H](C)COC ZINC000052203858 521929346 /nfs/dbraw/zinc/92/93/46/521929346.db2.gz MKZREGJRCDTYCC-XJKSGUPXSA-N 2 2 264.413 2.606 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@@H+](CC)[C@@H](C)COC ZINC000052203858 521929354 /nfs/dbraw/zinc/92/93/54/521929354.db2.gz MKZREGJRCDTYCC-XJKSGUPXSA-N 2 2 264.413 2.606 10 0 CFAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cnc(C)s1 ZINC000054602610 521952888 /nfs/dbraw/zinc/95/28/88/521952888.db2.gz LLBSUZCMOKQJKB-YHWZYXNKSA-N 2 2 265.426 2.556 10 0 CFAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cnc(C)s1 ZINC000054602610 521952894 /nfs/dbraw/zinc/95/28/94/521952894.db2.gz LLBSUZCMOKQJKB-YHWZYXNKSA-N 2 2 265.426 2.556 10 0 CFAELP C[NH2+]CC1(C[N@H+](C)Cc2ccccc2Cl)CCOCC1 ZINC000052198112 521966800 /nfs/dbraw/zinc/96/68/00/521966800.db2.gz RUIGIBWYGIGKES-UHFFFAOYSA-N 2 2 296.842 2.788 10 0 CFAELP C[NH2+]CC1(C[N@@H+](C)Cc2ccccc2Cl)CCOCC1 ZINC000052198112 521966809 /nfs/dbraw/zinc/96/68/09/521966809.db2.gz RUIGIBWYGIGKES-UHFFFAOYSA-N 2 2 296.842 2.788 10 0 CFAELP C[NH2+]C[C@@H](c1ccccc1)[N@H+](C)CCc1ccccn1 ZINC000052423992 522037963 /nfs/dbraw/zinc/03/79/63/522037963.db2.gz KUAULKJHVVQTRA-KRWDZBQOSA-N 2 2 269.392 2.517 10 0 CFAELP C[NH2+]C[C@@H](c1ccccc1)[N@@H+](C)CCc1ccccn1 ZINC000052423992 522037970 /nfs/dbraw/zinc/03/79/70/522037970.db2.gz KUAULKJHVVQTRA-KRWDZBQOSA-N 2 2 269.392 2.517 10 0 CFAELP CC[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596577 522065670 /nfs/dbraw/zinc/06/56/70/522065670.db2.gz BVJGPDCPPRTFLP-OCCSQVGLSA-N 2 2 250.386 2.734 10 0 CFAELP CC[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596577 522065678 /nfs/dbraw/zinc/06/56/78/522065678.db2.gz BVJGPDCPPRTFLP-OCCSQVGLSA-N 2 2 250.386 2.734 10 0 CFAELP C[NH2+]Cc1cc(C[NH+]2Cc3ccccc3C2)c(C)o1 ZINC000052374545 522111082 /nfs/dbraw/zinc/11/10/82/522111082.db2.gz JOOJZKGTNMMOQY-UHFFFAOYSA-N 2 2 256.349 2.823 10 0 CFAELP COC1CC[NH+]([C@]2(C[NH3+])CCC[C@H](C(F)(F)F)C2)CC1 ZINC000069383295 522710200 /nfs/dbraw/zinc/71/02/00/522710200.db2.gz UKAGXPPLSVXRRF-WCQYABFASA-N 2 2 294.361 2.547 10 0 CFAELP CC[C@@H]1C[N@H+](Cc2occc2C[NH2+]C(C)(C)C)CCO1 ZINC000052477024 523461018 /nfs/dbraw/zinc/46/10/18/523461018.db2.gz KKQWPEHUUMZZMT-CQSZACIVSA-N 2 2 280.412 2.779 10 0 CFAELP CC[C@@H]1C[N@@H+](Cc2occc2C[NH2+]C(C)(C)C)CCO1 ZINC000052477024 523461028 /nfs/dbraw/zinc/46/10/28/523461028.db2.gz KKQWPEHUUMZZMT-CQSZACIVSA-N 2 2 280.412 2.779 10 0 CFAELP CCc1c(C)[nH+]c(C(C)C)nc1N[C@H]1CCC[NH2+]C1 ZINC000045955200 523710089 /nfs/dbraw/zinc/71/00/89/523710089.db2.gz HJOLBNWZWJXLFU-LBPRGKRZSA-N 2 2 262.401 2.635 10 0 CFAELP COc1ccc(C)cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051359849 523810094 /nfs/dbraw/zinc/81/00/94/523810094.db2.gz ZRAVDPKCJQSRIX-HOTGVXAUSA-N 2 2 274.408 2.720 10 0 CFAELP COc1ccc(C)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051359849 523810099 /nfs/dbraw/zinc/81/00/99/523810099.db2.gz ZRAVDPKCJQSRIX-HOTGVXAUSA-N 2 2 274.408 2.720 10 0 CFAELP Cc1ccc(C)c(OCC[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000063195710 524177171 /nfs/dbraw/zinc/17/71/71/524177171.db2.gz QKRUOUBBVTYVSB-HZPDHXFCSA-N 2 2 276.424 2.884 10 0 CFAELP Cc1ccc(C)c(OCC[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000063195710 524177183 /nfs/dbraw/zinc/17/71/83/524177183.db2.gz QKRUOUBBVTYVSB-HZPDHXFCSA-N 2 2 276.424 2.884 10 0 CFAELP Cc1cc(C)c(Cn2cc[nH+]c2C[C@H](C)[NH3+])c(C)c1 ZINC000062802914 524277062 /nfs/dbraw/zinc/27/70/62/524277062.db2.gz HPGNHVWVDLHQJJ-AWEZNQCLSA-N 2 2 257.381 2.746 10 0 CFAELP C[C@@H]1CCC[C@@](C[NH2+]CCC[NH+]2CCCC2)([NH+](C)C)C1 ZINC000049332637 524339471 /nfs/dbraw/zinc/33/94/71/524339471.db2.gz MNMHDUBUNPFRFQ-IAGOWNOFSA-N 3 2 281.488 2.572 10 0 CFAELP C[C@H]1C[NH+](Cc2cc(C[NH2+]C(C)(C)C)co2)C[C@H](C)O1 ZINC000052380659 524610300 /nfs/dbraw/zinc/61/03/00/524610300.db2.gz RIPJEGSUKYEHAY-STQMWFEESA-N 2 2 280.412 2.777 10 0 CFAELP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1F ZINC000050885006 524671643 /nfs/dbraw/zinc/67/16/43/524671643.db2.gz PYOLEPGZJCYSEN-GHMZBOCLSA-N 2 2 254.324 2.524 10 0 CFAELP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1F ZINC000050885006 524671634 /nfs/dbraw/zinc/67/16/34/524671634.db2.gz PYOLEPGZJCYSEN-GHMZBOCLSA-N 2 2 254.324 2.524 10 0 CFAELP C[C@@H](Cn1cc[nH+]c1)n1c(N)[nH+]c2cc(Cl)ccc21 ZINC000049236336 524965472 /nfs/dbraw/zinc/96/54/72/524965472.db2.gz CEIKYPFERWEUSH-VIFPVBQESA-N 2 2 275.743 2.730 10 0 CFAELP C[C@@H]([NH3+])c1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC000061698314 525025053 /nfs/dbraw/zinc/02/50/53/525025053.db2.gz GUEKZNSFLYNLPE-MRVPVSSYSA-N 2 2 266.142 2.655 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2occc2C[NH2+]C(C)(C)C)C[C@H](C)O1 ZINC000052380305 525037858 /nfs/dbraw/zinc/03/78/58/525037858.db2.gz KDHIPDNWNMYDDY-BETUJISGSA-N 2 2 280.412 2.777 10 0 CFAELP C[C@@H]1C[N@H+](Cc2occc2C[NH2+]C(C)(C)C)C[C@H](C)O1 ZINC000052380305 525037865 /nfs/dbraw/zinc/03/78/65/525037865.db2.gz KDHIPDNWNMYDDY-BETUJISGSA-N 2 2 280.412 2.777 10 0 CFAELP CSC[C@@H](C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000069435498 525624009 /nfs/dbraw/zinc/62/40/09/525624009.db2.gz IYAOEMTZPNSUGU-ZDUSSCGKSA-N 2 2 275.421 2.961 10 0 CFAELP COc1cccc(C[N@H+](C)[C@@H](C[NH2+]C2CC2)C(C)C)c1 ZINC000052372854 525918126 /nfs/dbraw/zinc/91/81/26/525918126.db2.gz GWMGKMPAOVDASK-KRWDZBQOSA-N 2 2 276.424 2.904 10 0 CFAELP COc1cccc(C[N@@H+](C)[C@@H](C[NH2+]C2CC2)C(C)C)c1 ZINC000052372854 525918137 /nfs/dbraw/zinc/91/81/37/525918137.db2.gz GWMGKMPAOVDASK-KRWDZBQOSA-N 2 2 276.424 2.904 10 0 CFAELP Cc1c([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cnn1C ZINC000157384420 525926878 /nfs/dbraw/zinc/92/68/78/525926878.db2.gz UQHVLYIOPHQYJX-HNHYXYPQSA-N 2 2 270.380 2.524 10 0 CFAELP c1ccc(C[C@@H]2C[N@@H+](C3CCCC3)CCC[NH2+]2)cc1 ZINC000062626791 526475056 /nfs/dbraw/zinc/47/50/56/526475056.db2.gz VSBORERXMNVNSH-MRXNPFEDSA-N 2 2 258.409 2.836 10 0 CFAELP c1ccc(C[C@@H]2C[N@H+](C3CCCC3)CCC[NH2+]2)cc1 ZINC000062626791 526475062 /nfs/dbraw/zinc/47/50/62/526475062.db2.gz VSBORERXMNVNSH-MRXNPFEDSA-N 2 2 258.409 2.836 10 0 CFAELP Cc1nc(C)c([C@H](C)[NH2+]CC[NH2+]C2CCCC2)s1 ZINC000049534972 526753518 /nfs/dbraw/zinc/75/35/18/526753518.db2.gz YGFHINQJPZLSPV-JTQLQIEISA-N 2 2 267.442 2.943 10 0 CFAELP Cc1[nH]c2ccc(NC(=O)CC[C@@H]3CCCC[NH2+]3)cc2[nH+]1 ZINC000050944904 527125562 /nfs/dbraw/zinc/12/55/62/527125562.db2.gz SZXQVQVUWVQSAJ-LBPRGKRZSA-N 2 2 286.379 2.732 10 0 CFAELP Cc1ccc([C@@H]2C[C@@H]([NH3+])CC[N@H+]2C)cc1Br ZINC000675052550 545529155 /nfs/dbraw/zinc/52/91/55/545529155.db2.gz BFAFWFNPQFSRFV-AAEUAGOBSA-N 2 2 283.213 2.852 10 0 CFAELP Cc1ccc([C@@H]2C[C@@H]([NH3+])CC[N@@H+]2C)cc1Br ZINC000675052550 545529161 /nfs/dbraw/zinc/52/91/61/545529161.db2.gz BFAFWFNPQFSRFV-AAEUAGOBSA-N 2 2 283.213 2.852 10 0 CFAELP CC[C@@H]1C[C@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)CCO1 ZINC000251526195 574265782 /nfs/dbraw/zinc/26/57/82/574265782.db2.gz GQEJHXQOLSOVRC-RBSFLKMASA-N 2 2 256.434 2.510 10 0 CFAELP c1nc(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)co1 ZINC000395113778 574348576 /nfs/dbraw/zinc/34/85/76/574348576.db2.gz BVOGDHWIAONJPS-SZMVWBNQSA-N 2 2 297.402 2.675 10 0 CFAELP c1nc(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)co1 ZINC000395113778 574348577 /nfs/dbraw/zinc/34/85/77/574348577.db2.gz BVOGDHWIAONJPS-SZMVWBNQSA-N 2 2 297.402 2.675 10 0 CFAELP CCc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000062808162 539336422 /nfs/dbraw/zinc/33/64/22/539336422.db2.gz PUCTUYSRONKDLQ-XJKSGUPXSA-N 2 2 287.407 2.756 10 0 CFAELP c1ccc(C[NH+]2CCC3(CC2)[NH2+]CCCS3)cc1 ZINC000159147390 348010141 /nfs/dbraw/zinc/01/01/41/348010141.db2.gz UJUHNYBFTZJGRU-UHFFFAOYSA-N 2 2 262.422 2.705 10 0 CFAELP CCC[N@@H+]1CCC[C@@H]([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000086834825 179349913 /nfs/dbraw/zinc/34/99/13/179349913.db2.gz SQBCNTYDECAFDE-QGZVFWFLSA-N 3 2 283.504 2.959 10 0 CFAELP CCC[N@H+]1CCC[C@@H]([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000086834825 179349914 /nfs/dbraw/zinc/34/99/14/179349914.db2.gz SQBCNTYDECAFDE-QGZVFWFLSA-N 3 2 283.504 2.959 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[NH2+]CC(C)C)cc1OC(F)F ZINC000087911503 179519522 /nfs/dbraw/zinc/51/95/22/179519522.db2.gz BUJSQVPMSPOKFH-LLVKDONJSA-N 2 2 288.338 2.542 10 0 CFAELP C[C@H]([NH3+])C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000584596198 348683597 /nfs/dbraw/zinc/68/35/97/348683597.db2.gz ZXAQPQMRUHGIQN-MAUKXSAKSA-N 2 2 284.403 2.569 10 0 CFAELP C[C@H]([NH3+])C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000584596198 348683600 /nfs/dbraw/zinc/68/36/00/348683600.db2.gz ZXAQPQMRUHGIQN-MAUKXSAKSA-N 2 2 284.403 2.569 10 0 CFAELP Cc1ncsc1C[N@@H+](C)[C@H]([C@@H](C)[NH3+])C(C)(C)C ZINC000104443206 186004122 /nfs/dbraw/zinc/00/41/22/186004122.db2.gz AGECVBWFXGNQCI-BXKDBHETSA-N 2 2 255.431 2.645 10 0 CFAELP Cc1ncsc1C[N@H+](C)[C@H]([C@@H](C)[NH3+])C(C)(C)C ZINC000104443206 186004124 /nfs/dbraw/zinc/00/41/24/186004124.db2.gz AGECVBWFXGNQCI-BXKDBHETSA-N 2 2 255.431 2.645 10 0 CFAELP CC(C)([C@H]([NH3+])c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000091533943 180181375 /nfs/dbraw/zinc/18/13/75/180181375.db2.gz WJXRTQWHUVATOZ-CYBMUJFWSA-N 2 2 254.324 2.839 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2c(C)noc2C)C1 ZINC000105896387 186086382 /nfs/dbraw/zinc/08/63/82/186086382.db2.gz OZKZUUITSTZNPI-AWEZNQCLSA-N 2 2 288.395 2.887 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2c(C)noc2C)C1 ZINC000105896387 186086384 /nfs/dbraw/zinc/08/63/84/186086384.db2.gz OZKZUUITSTZNPI-AWEZNQCLSA-N 2 2 288.395 2.887 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000133038636 539801494 /nfs/dbraw/zinc/80/14/94/539801494.db2.gz JVRBRBVJKDJQGZ-GDBMZVCRSA-N 2 2 262.372 2.887 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000133038636 539801501 /nfs/dbraw/zinc/80/15/01/539801501.db2.gz JVRBRBVJKDJQGZ-GDBMZVCRSA-N 2 2 262.372 2.887 10 0 CFAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccccc2Cl)CC1 ZINC000616600937 352380494 /nfs/dbraw/zinc/38/04/94/352380494.db2.gz JELZTASRGBTPJL-GFCCVEGCSA-N 2 2 252.789 2.868 10 0 CFAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccccc2Cl)CC1 ZINC000616600937 352380497 /nfs/dbraw/zinc/38/04/97/352380497.db2.gz JELZTASRGBTPJL-GFCCVEGCSA-N 2 2 252.789 2.868 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1cnc2ccccc2c1 ZINC000616616692 352385759 /nfs/dbraw/zinc/38/57/59/352385759.db2.gz UBGABVPEVPNAOI-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1cnc2ccccc2c1 ZINC000616616692 352385761 /nfs/dbraw/zinc/38/57/61/352385761.db2.gz UBGABVPEVPNAOI-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP CC(=O)Nc1cccc([C@@H]2CCCCC[N@@H+]2CC[NH3+])c1 ZINC000616625671 352389082 /nfs/dbraw/zinc/38/90/82/352389082.db2.gz SXAIKQAZNAZKNG-INIZCTEOSA-N 2 2 275.396 2.521 10 0 CFAELP CC(=O)Nc1cccc([C@@H]2CCCCC[N@H+]2CC[NH3+])c1 ZINC000616625671 352389087 /nfs/dbraw/zinc/38/90/87/352389087.db2.gz SXAIKQAZNAZKNG-INIZCTEOSA-N 2 2 275.396 2.521 10 0 CFAELP CNc1cccc([C@@H]2c3ccccc3CC[N@H+]2CC[NH3+])c1 ZINC000616678169 352409220 /nfs/dbraw/zinc/40/92/20/352409220.db2.gz FOGBFGHWGKNNIC-GOSISDBHSA-N 2 2 281.403 2.635 10 0 CFAELP CNc1cccc([C@@H]2c3ccccc3CC[N@@H+]2CC[NH3+])c1 ZINC000616678169 352409222 /nfs/dbraw/zinc/40/92/22/352409222.db2.gz FOGBFGHWGKNNIC-GOSISDBHSA-N 2 2 281.403 2.635 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c(C)c1 ZINC000133823964 187709040 /nfs/dbraw/zinc/70/90/40/187709040.db2.gz GWSBCOZHNQHYKN-HRCADAONSA-N 2 2 276.424 2.721 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1cccc(Br)c1 ZINC000675053711 540314786 /nfs/dbraw/zinc/31/47/86/540314786.db2.gz KRTDQPUUYZWPEJ-STQMWFEESA-N 2 2 283.213 2.933 10 0 CFAELP CC[N@H+]1CC[C@H]([NH3+])C[C@H]1c1cccc(Br)c1 ZINC000675053711 540314789 /nfs/dbraw/zinc/31/47/89/540314789.db2.gz KRTDQPUUYZWPEJ-STQMWFEESA-N 2 2 283.213 2.933 10 0 CFAELP O[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000252428797 540435995 /nfs/dbraw/zinc/43/59/95/540435995.db2.gz BDPGIJZGQXEEKZ-OKZBNKHCSA-N 2 2 288.435 2.544 10 0 CFAELP O[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000252428797 540435998 /nfs/dbraw/zinc/43/59/98/540435998.db2.gz BDPGIJZGQXEEKZ-OKZBNKHCSA-N 2 2 288.435 2.544 10 0 CFAELP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1F ZINC000154546856 540747458 /nfs/dbraw/zinc/74/74/58/540747458.db2.gz HTBMHOCGSNNCBV-JSGCOSHPSA-N 2 2 250.361 2.879 10 0 CFAELP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1F ZINC000154546856 540747461 /nfs/dbraw/zinc/74/74/61/540747461.db2.gz HTBMHOCGSNNCBV-JSGCOSHPSA-N 2 2 250.361 2.879 10 0 CFAELP c1cn2c(cccc2C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)[nH+]1 ZINC000180262637 189247527 /nfs/dbraw/zinc/24/75/27/189247527.db2.gz ICPMRIFENRLOFI-HNNXBMFYSA-N 2 2 281.363 2.785 10 0 CFAELP c1cn2c(cccc2C[N@H+]2CCCC[C@H]2c2cn[nH]c2)[nH+]1 ZINC000180262637 189247528 /nfs/dbraw/zinc/24/75/28/189247528.db2.gz ICPMRIFENRLOFI-HNNXBMFYSA-N 2 2 281.363 2.785 10 0 CFAELP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000667005622 541173562 /nfs/dbraw/zinc/17/35/62/541173562.db2.gz XNZVOZKTHZUJTO-UTUOFQBUSA-N 2 2 253.415 2.572 10 0 CFAELP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1Br ZINC000422693876 296145065 /nfs/dbraw/zinc/14/50/65/296145065.db2.gz MWIYWNKOVMBDGO-VHSXEESVSA-N 2 2 283.213 2.708 10 0 CFAELP C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)[C@@H]1CC[NH2+]C1 ZINC000400343849 296149644 /nfs/dbraw/zinc/14/96/44/296149644.db2.gz GMELFVMCTLVNRB-OUAUKWLOSA-N 2 2 254.324 2.613 10 0 CFAELP Clc1ccc(CC[N@@H+]2CCC[NH2+]CC2)cc1Cl ZINC000022940708 372247917 /nfs/dbraw/zinc/24/79/17/372247917.db2.gz OXFTXGSRSRYICH-UHFFFAOYSA-N 2 2 273.207 2.831 10 0 CFAELP Clc1ccc(CC[N@H+]2CCC[NH2+]CC2)cc1Cl ZINC000022940708 372247926 /nfs/dbraw/zinc/24/79/26/372247926.db2.gz OXFTXGSRSRYICH-UHFFFAOYSA-N 2 2 273.207 2.831 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000033431060 372494865 /nfs/dbraw/zinc/49/48/65/372494865.db2.gz FLZDUEPXVIBJSK-GUTXKFCHSA-N 2 2 292.423 2.682 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000033431060 372494870 /nfs/dbraw/zinc/49/48/70/372494870.db2.gz FLZDUEPXVIBJSK-GUTXKFCHSA-N 2 2 292.423 2.682 10 0 CFAELP CCCCOc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000041166570 372824177 /nfs/dbraw/zinc/82/41/77/372824177.db2.gz QTSBKERPJPKZDB-UHFFFAOYSA-N 2 2 262.397 2.661 10 0 CFAELP CCCCOc1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000041166570 372824191 /nfs/dbraw/zinc/82/41/91/372824191.db2.gz QTSBKERPJPKZDB-UHFFFAOYSA-N 2 2 262.397 2.661 10 0 CFAELP C[C@@H]([NH3+])c1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000041162273 372825127 /nfs/dbraw/zinc/82/51/27/372825127.db2.gz SUCIVZMNCYBLMX-LLVKDONJSA-N 2 2 273.405 2.721 10 0 CFAELP C[C@@H]([NH3+])c1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000041162273 372825135 /nfs/dbraw/zinc/82/51/35/372825135.db2.gz SUCIVZMNCYBLMX-LLVKDONJSA-N 2 2 273.405 2.721 10 0 CFAELP Cc1cc[nH+]c(N[C@@H](c2[nH]cc[nH+]2)c2cccnc2)c1 ZINC000195088924 220227654 /nfs/dbraw/zinc/22/76/54/220227654.db2.gz AMNLUDQSMRCUGK-CQSZACIVSA-N 2 2 265.320 2.710 10 0 CFAELP Cc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070456439 374180948 /nfs/dbraw/zinc/18/09/48/374180948.db2.gz UDXPSYBSQYUCHO-CQSZACIVSA-N 2 2 286.354 2.755 10 0 CFAELP COc1ccc(-c2nc(N[C@@H]3CCC[NH2+]C3)cc(C)[nH+]2)cc1 ZINC000070456475 374181723 /nfs/dbraw/zinc/18/17/23/374181723.db2.gz LDGDTSXZGMHFLC-CQSZACIVSA-N 2 2 298.390 2.625 10 0 CFAELP CCc1c(C)[nH+]c(-c2ccccc2)nc1N1CCC[NH2+]CC1 ZINC000070451907 374177608 /nfs/dbraw/zinc/17/76/08/374177608.db2.gz NLPJYHWFLFILKR-UHFFFAOYSA-N 2 2 296.418 2.814 10 0 CFAELP Cc1cc(NC2CC[NH2+]CC2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070451701 374178364 /nfs/dbraw/zinc/17/83/64/374178364.db2.gz QUHZFOVLJSIVNB-UHFFFAOYSA-N 2 2 286.354 2.755 10 0 CFAELP Cc1ccc(-c2nc(N3CCC[NH2+]CC3)c(C)c(C)[nH+]2)cc1 ZINC000070451916 374178468 /nfs/dbraw/zinc/17/84/68/374178468.db2.gz WAUFVXFOSNVCTN-UHFFFAOYSA-N 2 2 296.418 2.869 10 0 CFAELP Cc1ccc(-c2nc(N3CCC(C[NH3+])CC3)cc(C)[nH+]2)cc1 ZINC000070456088 374179901 /nfs/dbraw/zinc/17/99/01/374179901.db2.gz JIRISDVYTHFGKS-UHFFFAOYSA-N 2 2 296.418 2.936 10 0 CFAELP CC(C)[NH2+][C@H](CCO)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095088328 375409667 /nfs/dbraw/zinc/40/96/67/375409667.db2.gz YEMXGGYLQTUABN-MSOLQXFVSA-N 2 2 290.451 2.790 10 0 CFAELP CC(C)[NH2+][C@H](CCO)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095088328 375409672 /nfs/dbraw/zinc/40/96/72/375409672.db2.gz YEMXGGYLQTUABN-MSOLQXFVSA-N 2 2 290.451 2.790 10 0 CFAELP C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000121449145 376834674 /nfs/dbraw/zinc/83/46/74/376834674.db2.gz JENBQEHYCKRNID-WOSRLPQWSA-N 2 2 271.364 2.700 10 0 CFAELP CCCn1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000128252036 377328191 /nfs/dbraw/zinc/32/81/91/377328191.db2.gz RJSIMEZJBQBXLT-HNNXBMFYSA-N 2 2 299.422 2.622 10 0 CFAELP CCCn1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000128252036 377328202 /nfs/dbraw/zinc/32/82/02/377328202.db2.gz RJSIMEZJBQBXLT-HNNXBMFYSA-N 2 2 299.422 2.622 10 0 CFAELP COC1CCC([NH2+][C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000129994149 377499666 /nfs/dbraw/zinc/49/96/66/377499666.db2.gz GQCYPXVQOZVZJK-SHARSMKWSA-N 2 2 256.434 2.510 10 0 CFAELP Cl/C=C/C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151106831 378296223 /nfs/dbraw/zinc/29/62/23/378296223.db2.gz QHPWZLNQOUTCRK-MJRJWQSSSA-N 2 2 251.761 2.568 10 0 CFAELP Cl/C=C/C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151106831 378296229 /nfs/dbraw/zinc/29/62/29/378296229.db2.gz QHPWZLNQOUTCRK-MJRJWQSSSA-N 2 2 251.761 2.568 10 0 CFAELP O[C@@H](C[NH2+][C@@H]1CCCc2sccc21)C[NH+]1CCCCC1 ZINC000151314706 378316177 /nfs/dbraw/zinc/31/61/77/378316177.db2.gz KCKIWCPNNHVVEC-DZGCQCFKSA-N 2 2 294.464 2.562 10 0 CFAELP C[C@@H]([NH3+])[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000168593166 379091793 /nfs/dbraw/zinc/09/17/93/379091793.db2.gz QQIVGQZSMQACKV-OCCSQVGLSA-N 2 2 255.365 2.798 10 0 CFAELP [NH3+]CCC1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000168726064 379095778 /nfs/dbraw/zinc/09/57/78/379095778.db2.gz KZGHJVAUQZRUDE-UHFFFAOYSA-N 2 2 255.365 2.800 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000335653018 379668364 /nfs/dbraw/zinc/66/83/64/379668364.db2.gz RDPXEDZUSTWXKW-GXTWGEPZSA-N 2 2 262.422 2.907 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000335653018 379668370 /nfs/dbraw/zinc/66/83/70/379668370.db2.gz RDPXEDZUSTWXKW-GXTWGEPZSA-N 2 2 262.422 2.907 10 0 CFAELP Cc1cc(N[C@@H](CCC[NH3+])c2ccccc2)nc[nH+]1 ZINC000336813872 380674441 /nfs/dbraw/zinc/67/44/41/380674441.db2.gz DIUFCDPSZZWRQO-AWEZNQCLSA-N 2 2 256.353 2.677 10 0 CFAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC[C@@H]1CCOC1 ZINC000400646254 380864548 /nfs/dbraw/zinc/86/45/48/380864548.db2.gz WYHGODRGNKCRJL-DOTOQJQBSA-N 2 2 276.424 2.523 10 0 CFAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC[C@@H]1CCOC1 ZINC000400646254 380864550 /nfs/dbraw/zinc/86/45/50/380864550.db2.gz WYHGODRGNKCRJL-DOTOQJQBSA-N 2 2 276.424 2.523 10 0 CFAELP CCc1cc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000302093762 382206680 /nfs/dbraw/zinc/20/66/80/382206680.db2.gz NCABRHNGLFOKLR-ZDUSSCGKSA-N 2 2 288.439 2.801 10 0 CFAELP CCc1cc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000302093762 382206684 /nfs/dbraw/zinc/20/66/84/382206684.db2.gz NCABRHNGLFOKLR-ZDUSSCGKSA-N 2 2 288.439 2.801 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000389161564 382611063 /nfs/dbraw/zinc/61/10/63/382611063.db2.gz AMWSTNLMNAZATH-AWEZNQCLSA-N 2 2 252.789 2.832 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000389161564 382611066 /nfs/dbraw/zinc/61/10/66/382611066.db2.gz AMWSTNLMNAZATH-AWEZNQCLSA-N 2 2 252.789 2.832 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(C)C)C1 ZINC000389164382 382611776 /nfs/dbraw/zinc/61/17/76/382611776.db2.gz AYWYUMPPQUFYAL-OAHLLOKOSA-N 2 2 262.397 2.658 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(C)C)C1 ZINC000389164382 382611778 /nfs/dbraw/zinc/61/17/78/382611778.db2.gz AYWYUMPPQUFYAL-OAHLLOKOSA-N 2 2 262.397 2.658 10 0 CFAELP CCCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195275551 382765597 /nfs/dbraw/zinc/76/55/97/382765597.db2.gz KKIFPIBZIUUCCR-MRXNPFEDSA-N 2 2 261.413 2.635 10 0 CFAELP CCCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195275551 382765599 /nfs/dbraw/zinc/76/55/99/382765599.db2.gz KKIFPIBZIUUCCR-MRXNPFEDSA-N 2 2 261.413 2.635 10 0 CFAELP CCCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195275551 382765601 /nfs/dbraw/zinc/76/56/01/382765601.db2.gz KKIFPIBZIUUCCR-MRXNPFEDSA-N 2 2 261.413 2.635 10 0 CFAELP CCCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195275551 382765604 /nfs/dbraw/zinc/76/56/04/382765604.db2.gz KKIFPIBZIUUCCR-MRXNPFEDSA-N 2 2 261.413 2.635 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000336905177 382740087 /nfs/dbraw/zinc/74/00/87/382740087.db2.gz WPAFIOXREDRDET-WOPDTQHZSA-N 2 2 264.335 2.791 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000336905177 382740089 /nfs/dbraw/zinc/74/00/89/382740089.db2.gz WPAFIOXREDRDET-WOPDTQHZSA-N 2 2 264.335 2.791 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@](C)(O)c1ccccc1 ZINC000247105484 383144491 /nfs/dbraw/zinc/14/44/91/383144491.db2.gz QSLCMCPBBYSASY-ZWKOTPCHSA-N 2 2 299.418 2.564 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@](C)(O)c1ccccc1 ZINC000247105484 383144495 /nfs/dbraw/zinc/14/44/95/383144495.db2.gz QSLCMCPBBYSASY-ZWKOTPCHSA-N 2 2 299.418 2.564 10 0 CFAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH+]c2ccc(C)cn12 ZINC000248418573 383240108 /nfs/dbraw/zinc/24/01/08/383240108.db2.gz STVILNLTICAVOC-HOTGVXAUSA-N 2 2 298.434 2.701 10 0 CFAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH+]c2ccc(C)cn12 ZINC000248418573 383240112 /nfs/dbraw/zinc/24/01/12/383240112.db2.gz STVILNLTICAVOC-HOTGVXAUSA-N 2 2 298.434 2.701 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)C1 ZINC000248720311 383283746 /nfs/dbraw/zinc/28/37/46/383283746.db2.gz CFTMSKLWZMARBN-SOUVJXGZSA-N 2 2 268.445 2.652 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)C1 ZINC000248720311 383283752 /nfs/dbraw/zinc/28/37/52/383283752.db2.gz CFTMSKLWZMARBN-SOUVJXGZSA-N 2 2 268.445 2.652 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000249484997 383347529 /nfs/dbraw/zinc/34/75/29/383347529.db2.gz XYZBOVSSDQWCGW-NVXWUHKLSA-N 2 2 260.425 2.939 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000249484997 383347533 /nfs/dbraw/zinc/34/75/33/383347533.db2.gz XYZBOVSSDQWCGW-NVXWUHKLSA-N 2 2 260.425 2.939 10 0 CFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)C2CCSCC2)C1 ZINC000250136539 383371777 /nfs/dbraw/zinc/37/17/77/383371777.db2.gz YEOUTRLHEWEGEH-NFAWXSAZSA-N 2 2 270.486 2.836 10 0 CFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)C2CCSCC2)C1 ZINC000250136539 383371786 /nfs/dbraw/zinc/37/17/86/383371786.db2.gz YEOUTRLHEWEGEH-NFAWXSAZSA-N 2 2 270.486 2.836 10 0 CFAELP CCO[C@@H]1C[C@@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)C12CCC2 ZINC000250471247 383376055 /nfs/dbraw/zinc/37/60/55/383376055.db2.gz CTJRRAQORSRXHI-BZUAXINKSA-N 2 2 282.472 2.900 10 0 CFAELP C[C@@H]1C[N@H+](Cc2ccccc2OC(F)(F)F)C[C@@H]1C[NH3+] ZINC000634999328 383454784 /nfs/dbraw/zinc/45/47/84/383454784.db2.gz SJLOWVLPAMLSCH-PWSUYJOCSA-N 2 2 288.313 2.612 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2ccccc2OC(F)(F)F)C[C@@H]1C[NH3+] ZINC000634999328 383454791 /nfs/dbraw/zinc/45/47/91/383454791.db2.gz SJLOWVLPAMLSCH-PWSUYJOCSA-N 2 2 288.313 2.612 10 0 CFAELP C[C@@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000634999581 383456542 /nfs/dbraw/zinc/45/65/42/383456542.db2.gz WQQHYZXGPSQJSI-KOLCDFICSA-N 2 2 290.304 2.871 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000634999581 383456546 /nfs/dbraw/zinc/45/65/46/383456546.db2.gz WQQHYZXGPSQJSI-KOLCDFICSA-N 2 2 290.304 2.871 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(-c4ccco4)n3)C[C@@H]12 ZINC000261719502 383547923 /nfs/dbraw/zinc/54/79/23/383547923.db2.gz KEPNIMWNYFVSNW-CYZMBNFOSA-N 2 2 289.404 2.572 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4ccco4)n3)C[C@@H]12 ZINC000261719502 383547927 /nfs/dbraw/zinc/54/79/27/383547927.db2.gz KEPNIMWNYFVSNW-CYZMBNFOSA-N 2 2 289.404 2.572 10 0 CFAELP C[C@@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)C[C@@H]1[NH3+] ZINC000261938420 383582692 /nfs/dbraw/zinc/58/26/92/383582692.db2.gz DLEOKVXPSWZOFD-DYVFJYSZSA-N 2 2 274.408 2.787 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)C[C@@H]1[NH3+] ZINC000261938420 383582698 /nfs/dbraw/zinc/58/26/98/383582698.db2.gz DLEOKVXPSWZOFD-DYVFJYSZSA-N 2 2 274.408 2.787 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000262018896 383595674 /nfs/dbraw/zinc/59/56/74/383595674.db2.gz VYIMOWDOMCJOQG-INIZCTEOSA-N 2 2 274.408 2.789 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000262018896 383595680 /nfs/dbraw/zinc/59/56/80/383595680.db2.gz VYIMOWDOMCJOQG-INIZCTEOSA-N 2 2 274.408 2.789 10 0 CFAELP C[C@H](C[N@@H+]1CCC[C@H]1C[NH3+])c1cccc(Cl)c1 ZINC000261787503 383561577 /nfs/dbraw/zinc/56/15/77/383561577.db2.gz FXXLXCBUIBQTPX-RISCZKNCSA-N 2 2 252.789 2.867 10 0 CFAELP C[C@H](C[N@H+]1CCC[C@H]1C[NH3+])c1cccc(Cl)c1 ZINC000261787503 383561580 /nfs/dbraw/zinc/56/15/80/383561580.db2.gz FXXLXCBUIBQTPX-RISCZKNCSA-N 2 2 252.789 2.867 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000133049217 285268645 /nfs/dbraw/zinc/26/86/45/285268645.db2.gz MWTHRNZOSWIIEJ-GOEBONIOSA-N 2 2 274.408 2.974 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000133049217 285268647 /nfs/dbraw/zinc/26/86/47/285268647.db2.gz MWTHRNZOSWIIEJ-GOEBONIOSA-N 2 2 274.408 2.974 10 0 CFAELP [NH3+][C@H]1CCC[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000335583402 393680890 /nfs/dbraw/zinc/68/08/90/393680890.db2.gz XMHGAKIMWAUZPD-VHSXEESVSA-N 2 2 259.275 2.782 10 0 CFAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)C[N@@H+]1C1CC1 ZINC000252713728 393938318 /nfs/dbraw/zinc/93/83/18/393938318.db2.gz QAVPQLPQUWIMNU-IFIJOSMWSA-N 2 2 256.393 2.889 10 0 CFAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)C[N@H+]1C1CC1 ZINC000252713728 393938321 /nfs/dbraw/zinc/93/83/21/393938321.db2.gz QAVPQLPQUWIMNU-IFIJOSMWSA-N 2 2 256.393 2.889 10 0 CFAELP [NH3+][C@H]1CCCC[C@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000040988901 134875481 /nfs/dbraw/zinc/87/54/81/134875481.db2.gz UGAYNROUGJUXIM-JKSUJKDBSA-N 2 2 293.842 2.732 10 0 CFAELP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)C1 ZINC000384488758 543101288 /nfs/dbraw/zinc/10/12/88/543101288.db2.gz JONYZKUQORWEFU-ULQDDVLXSA-N 2 2 282.472 2.638 10 0 CFAELP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)C1 ZINC000384488758 543101291 /nfs/dbraw/zinc/10/12/91/543101291.db2.gz JONYZKUQORWEFU-ULQDDVLXSA-N 2 2 282.472 2.638 10 0 CFAELP c1cn(-c2ccc(C[NH2+]CC[C@@H]3CCCO3)cc2)c[nH+]1 ZINC000037988788 397550758 /nfs/dbraw/zinc/55/07/58/397550758.db2.gz VPYDDCWMPNPYTL-INIZCTEOSA-N 2 2 271.364 2.531 10 0 CFAELP Nc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)[nH+]c1 ZINC000020383084 171173419 /nfs/dbraw/zinc/17/34/19/171173419.db2.gz KYYCWJCVVSCSPB-UHFFFAOYSA-N 2 2 282.391 2.740 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[NH+]2C[C@H](C)C[C@@H](C)C2)c1OC ZINC000022217729 171376130 /nfs/dbraw/zinc/37/61/30/171376130.db2.gz BCKVVEZOMAAIEM-UMVBOHGHSA-N 2 2 292.423 2.682 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000035331532 172130115 /nfs/dbraw/zinc/13/01/15/172130115.db2.gz SFYJWIQTIDNONX-INIZCTEOSA-N 2 2 255.365 2.856 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000035331532 172130117 /nfs/dbraw/zinc/13/01/17/172130117.db2.gz SFYJWIQTIDNONX-INIZCTEOSA-N 2 2 255.365 2.856 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(Cl)ccc1OC ZINC000035503838 172237449 /nfs/dbraw/zinc/23/74/49/172237449.db2.gz HOYHHEPLPLTMBO-NSHDSACASA-N 2 2 265.744 2.575 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(F)ccc1Br ZINC000035504151 172237480 /nfs/dbraw/zinc/23/74/80/172237480.db2.gz YDUJZAALCDUERB-LLVKDONJSA-N 2 2 298.159 2.815 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1c(F)cccc1Cl ZINC000035504274 172237664 /nfs/dbraw/zinc/23/76/64/172237664.db2.gz RWMLRQZXIVEPGP-JTQLQIEISA-N 2 2 253.708 2.705 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccccc1Br ZINC000035504174 172237715 /nfs/dbraw/zinc/23/77/15/172237715.db2.gz CCYHAHAMEVTZLY-LLVKDONJSA-N 2 2 280.169 2.675 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Br)cc1F ZINC000035503739 172237722 /nfs/dbraw/zinc/23/77/22/172237722.db2.gz LXJBBPMQPJCILV-NSHDSACASA-N 2 2 298.159 2.815 10 0 CFAELP Cc1ccc(C[N@@H+](C)[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000035699342 172368307 /nfs/dbraw/zinc/36/83/07/172368307.db2.gz QBRIYRHYEAPSAH-HNNXBMFYSA-N 2 2 258.365 2.590 10 0 CFAELP Cc1ccc(C[N@H+](C)[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000035699342 172368308 /nfs/dbraw/zinc/36/83/08/172368308.db2.gz QBRIYRHYEAPSAH-HNNXBMFYSA-N 2 2 258.365 2.590 10 0 CFAELP Cc1ccc(C[N@@H+](C)[C@]2(C[NH3+])CCCC[C@@H]2C)o1 ZINC000035699542 172368472 /nfs/dbraw/zinc/36/84/72/172368472.db2.gz ADCJRPSEWGUMFA-WFASDCNBSA-N 2 2 250.386 2.927 10 0 CFAELP Cc1ccc(C[N@H+](C)[C@]2(C[NH3+])CCCC[C@@H]2C)o1 ZINC000035699542 172368473 /nfs/dbraw/zinc/36/84/73/172368473.db2.gz ADCJRPSEWGUMFA-WFASDCNBSA-N 2 2 250.386 2.927 10 0 CFAELP COC1CC[NH+](C2(C[NH3+])CCCCCCC2)CC1 ZINC000037265957 173075040 /nfs/dbraw/zinc/07/50/40/173075040.db2.gz FMGLTVHNUHHVLM-UHFFFAOYSA-N 2 2 254.418 2.539 10 0 CFAELP CC[N@H+](CC(C)C)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363790 173153289 /nfs/dbraw/zinc/15/32/89/173153289.db2.gz ODIYTLAJYLNOQV-OAHLLOKOSA-N 2 2 262.397 2.599 10 0 CFAELP CC[N@@H+](CC(C)C)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363790 173153291 /nfs/dbraw/zinc/15/32/91/173153291.db2.gz ODIYTLAJYLNOQV-OAHLLOKOSA-N 2 2 262.397 2.599 10 0 CFAELP [NH3+]CCCCCc1[nH]c2ccc(Br)cc2[nH+]1 ZINC000037441119 173210120 /nfs/dbraw/zinc/21/01/20/173210120.db2.gz QDSNYXUUNQJJGW-UHFFFAOYSA-N 2 2 282.185 2.997 10 0 CFAELP Cn1c(CCCCC[NH3+])[nH+]c2cccc(Cl)c21 ZINC000037443469 173212388 /nfs/dbraw/zinc/21/23/88/173212388.db2.gz VBUANHSRWAQSPH-UHFFFAOYSA-N 2 2 251.761 2.898 10 0 CFAELP Cc1ccc([C@H]([NH2+]CC[NH3+])c2ccccc2)c(C)c1 ZINC000037712516 173632250 /nfs/dbraw/zinc/63/22/50/173632250.db2.gz FYBJHGYLBJMZLH-QGZVFWFLSA-N 2 2 254.377 2.941 10 0 CFAELP COc1ccc([C@H]([NH2+]C[C@H](C)[NH+](C)C)C2CC2)cc1 ZINC000038087691 174099853 /nfs/dbraw/zinc/09/98/53/174099853.db2.gz YLNAJPYXEMSYNG-BLLLJJGKSA-N 2 2 262.397 2.686 10 0 CFAELP COc1ccc([C@H]([NH3+])C[N@H+](C)Cc2ccccc2)cc1 ZINC000038137751 174133558 /nfs/dbraw/zinc/13/35/58/174133558.db2.gz LSJMHEGRHDNTKX-QGZVFWFLSA-N 2 2 270.376 2.827 10 0 CFAELP COc1ccc([C@H]([NH3+])C[N@@H+](C)Cc2ccccc2)cc1 ZINC000038137751 174133559 /nfs/dbraw/zinc/13/35/59/174133559.db2.gz LSJMHEGRHDNTKX-QGZVFWFLSA-N 2 2 270.376 2.827 10 0 CFAELP COc1ccc([C@H](C[NH3+])[NH+]2CCCCCC2)c(OC)c1 ZINC000038827570 174156263 /nfs/dbraw/zinc/15/62/63/174156263.db2.gz RHQGVHFLVCMLFW-HNNXBMFYSA-N 2 2 278.396 2.580 10 0 CFAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1cccc(OC)c1OC ZINC000038860432 174158318 /nfs/dbraw/zinc/15/83/18/174158318.db2.gz JXCPNZNZNVJHDN-AWEZNQCLSA-N 2 2 280.412 2.826 10 0 CFAELP COc1ccc(OC)c([C@@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000039789156 174173130 /nfs/dbraw/zinc/17/31/30/174173130.db2.gz ALKJCEBUQMUVNR-DVOMOZLQSA-N 2 2 292.423 2.967 10 0 CFAELP COc1ccc(OC)c([C@@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000039789156 174173131 /nfs/dbraw/zinc/17/31/31/174173131.db2.gz ALKJCEBUQMUVNR-DVOMOZLQSA-N 2 2 292.423 2.967 10 0 CFAELP CCCOc1ccc([C@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000039789142 174173157 /nfs/dbraw/zinc/17/31/57/174173157.db2.gz VRSDJMMRDPTMKM-INIZCTEOSA-N 2 2 262.397 2.961 10 0 CFAELP COc1cccc([C@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000039789067 174173346 /nfs/dbraw/zinc/17/33/46/174173346.db2.gz HBRFZQNSUKRMLU-ZENOOKHLSA-N 2 2 262.397 2.958 10 0 CFAELP COc1cccc([C@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000039789067 174173347 /nfs/dbraw/zinc/17/33/47/174173347.db2.gz HBRFZQNSUKRMLU-ZENOOKHLSA-N 2 2 262.397 2.958 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CCc2ccco2)C1 ZINC000040502644 174299027 /nfs/dbraw/zinc/29/90/27/174299027.db2.gz VMHAGAJDKDVYKD-UONOGXRCSA-N 2 2 250.386 2.675 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CCc2ccco2)C1 ZINC000040502644 174299028 /nfs/dbraw/zinc/29/90/28/174299028.db2.gz VMHAGAJDKDVYKD-UONOGXRCSA-N 2 2 250.386 2.675 10 0 CFAELP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1[nH+]ccn1C ZINC000040638865 174362784 /nfs/dbraw/zinc/36/27/84/174362784.db2.gz MXHROTBQIOKFTE-MRXNPFEDSA-N 2 2 285.391 2.638 10 0 CFAELP C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000040638783 174363141 /nfs/dbraw/zinc/36/31/41/174363141.db2.gz YNOQSNBKBBEDMK-SNVBAGLBSA-N 2 2 265.307 2.592 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000040639349 174363679 /nfs/dbraw/zinc/36/36/79/174363679.db2.gz OZENEBCQYHXTRJ-MRXNPFEDSA-N 2 2 273.355 2.843 10 0 CFAELP COc1cc(C)ccc1[C@H](C)[NH2+]CCc1[nH+]ccn1C ZINC000040639265 174363717 /nfs/dbraw/zinc/36/37/17/174363717.db2.gz GUVXSUKSPCRFDW-ZDUSSCGKSA-N 2 2 273.380 2.630 10 0 CFAELP CC(C)Oc1cccc([C@H](C[NH3+])[N@H+](C)C2CCOCC2)c1 ZINC000040641277 174364230 /nfs/dbraw/zinc/36/42/30/174364230.db2.gz HELIMOVUZNTRTJ-KRWDZBQOSA-N 2 2 292.423 2.584 10 0 CFAELP CC(C)Oc1cccc([C@H](C[NH3+])[N@@H+](C)C2CCOCC2)c1 ZINC000040641277 174364232 /nfs/dbraw/zinc/36/42/32/174364232.db2.gz HELIMOVUZNTRTJ-KRWDZBQOSA-N 2 2 292.423 2.584 10 0 CFAELP CC(C)CC[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671154 174368997 /nfs/dbraw/zinc/36/89/97/174368997.db2.gz GYPCJNQADNHEFK-QGZVFWFLSA-N 2 2 260.425 2.939 10 0 CFAELP CC(C)CC[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671154 174368999 /nfs/dbraw/zinc/36/89/99/174368999.db2.gz GYPCJNQADNHEFK-QGZVFWFLSA-N 2 2 260.425 2.939 10 0 CFAELP COc1ccccc1C1CC([NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000040672808 174371453 /nfs/dbraw/zinc/37/14/53/174371453.db2.gz MBLZWBVONPEBKG-SHARSMKWSA-N 2 2 274.408 2.625 10 0 CFAELP COc1ccccc1C1CC([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000040672808 174371454 /nfs/dbraw/zinc/37/14/54/174371454.db2.gz MBLZWBVONPEBKG-SHARSMKWSA-N 2 2 274.408 2.625 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(-c2ccco2)n1 ZINC000040750167 174394874 /nfs/dbraw/zinc/39/48/74/174394874.db2.gz GYZSFELHEGDFMT-VGPLMAKISA-N 2 2 289.404 2.857 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(-c2ccco2)n1 ZINC000040750167 174394875 /nfs/dbraw/zinc/39/48/75/174394875.db2.gz GYZSFELHEGDFMT-VGPLMAKISA-N 2 2 289.404 2.857 10 0 CFAELP C[C@H]([NH3+])[C@@H](c1ccccc1F)[NH+]1CCC(C)CC1 ZINC000043042115 174954054 /nfs/dbraw/zinc/95/40/54/174954054.db2.gz YBTRYQRBQRXQKF-WFASDCNBSA-N 2 2 250.361 2.946 10 0 CFAELP CCO[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2cccc(C)c2C)C1 ZINC000043315000 175004773 /nfs/dbraw/zinc/00/47/73/175004773.db2.gz NVNSDHRUTZDCPT-RDJZCZTQSA-N 2 2 276.424 2.804 10 0 CFAELP CCO[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2cccc(C)c2C)C1 ZINC000043315000 175004774 /nfs/dbraw/zinc/00/47/74/175004774.db2.gz NVNSDHRUTZDCPT-RDJZCZTQSA-N 2 2 276.424 2.804 10 0 CFAELP Clc1cccc(N[C@@H]2CCC[NH2+]C2)c1-n1cc[nH+]c1 ZINC000043325721 175007603 /nfs/dbraw/zinc/00/76/03/175007603.db2.gz WEGGYBONRUWLDI-LLVKDONJSA-N 2 2 276.771 2.690 10 0 CFAELP Cc1cc2[nH+]cn([C@H](C[NH3+])c3ccco3)c2cc1C ZINC000043336402 175012859 /nfs/dbraw/zinc/01/28/59/175012859.db2.gz KVEOUPFATIIDBO-CQSZACIVSA-N 2 2 255.321 2.794 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+](CC(C)C)C1CC1 ZINC000043340922 175014297 /nfs/dbraw/zinc/01/42/97/175014297.db2.gz ZMPKDWAPGFXUNC-ZBFHGGJFSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](CC(C)C)C1CC1 ZINC000043340922 175014299 /nfs/dbraw/zinc/01/42/99/175014299.db2.gz ZMPKDWAPGFXUNC-ZBFHGGJFSA-N 2 2 261.413 2.980 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341352 175015355 /nfs/dbraw/zinc/01/53/55/175015355.db2.gz HUMJRPTUHSEWAS-BZNIZROVSA-N 2 2 266.348 2.676 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341350 175015414 /nfs/dbraw/zinc/01/54/14/175015414.db2.gz HUMJRPTUHSEWAS-BDJLRTHQSA-N 2 2 266.348 2.676 10 0 CFAELP C[C@H]([NH3+])[C@@H](c1ccccn1)n1cc[nH+]c1-c1ccccc1 ZINC000043341489 175015559 /nfs/dbraw/zinc/01/55/59/175015559.db2.gz AUHIORLTJNFXTE-BBRMVZONSA-N 2 2 278.359 2.882 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+](C)CC1CCCCC1 ZINC000043347688 175017804 /nfs/dbraw/zinc/01/78/04/175017804.db2.gz LVZXWSARYADATE-CJNGLKHVSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](C)CC1CCCCC1 ZINC000043347688 175017806 /nfs/dbraw/zinc/01/78/06/175017806.db2.gz LVZXWSARYADATE-CJNGLKHVSA-N 2 2 261.413 2.982 10 0 CFAELP CCC1CCC([N@H+](C)[C@@H](C[NH3+])c2ccncc2)CC1 ZINC000043354300 175021216 /nfs/dbraw/zinc/02/12/16/175021216.db2.gz KTVYVWQTFHKABK-BCLQGDPASA-N 2 2 261.413 2.982 10 0 CFAELP CCC1CCC([N@@H+](C)[C@@H](C[NH3+])c2ccncc2)CC1 ZINC000043354300 175021217 /nfs/dbraw/zinc/02/12/17/175021217.db2.gz KTVYVWQTFHKABK-BCLQGDPASA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[NH+]1CCC(CC)CC1 ZINC000043354070 175021564 /nfs/dbraw/zinc/02/15/64/175021564.db2.gz MYYFLQVTCYKUFP-HZPDHXFCSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000043354261 175021608 /nfs/dbraw/zinc/02/16/08/175021608.db2.gz GJIBHGQHSVJOFS-RRCSTGOVSA-N 2 2 261.413 2.980 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000043354261 175021610 /nfs/dbraw/zinc/02/16/10/175021610.db2.gz GJIBHGQHSVJOFS-RRCSTGOVSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](C)[C@@H]1CCSC1 ZINC000043364096 175025051 /nfs/dbraw/zinc/02/50/51/175025051.db2.gz KZOKZMWZQCQTBG-MBNYWOFBSA-N 2 2 268.426 2.804 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043364096 175025052 /nfs/dbraw/zinc/02/50/52/175025052.db2.gz KZOKZMWZQCQTBG-MBNYWOFBSA-N 2 2 268.426 2.804 10 0 CFAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@H+](C)CCc2ccncc2)o1 ZINC000043364522 175025462 /nfs/dbraw/zinc/02/54/62/175025462.db2.gz ACQSJHJUBZBSPM-XJKSGUPXSA-N 2 2 273.380 2.546 10 0 CFAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)CCc2ccncc2)o1 ZINC000043364522 175025463 /nfs/dbraw/zinc/02/54/63/175025463.db2.gz ACQSJHJUBZBSPM-XJKSGUPXSA-N 2 2 273.380 2.546 10 0 CFAELP CC[N@@H+]([C@@H](C[NH3+])c1ccc(Cl)c(F)c1)[C@@H](C)COC ZINC000043390653 175033805 /nfs/dbraw/zinc/03/38/05/175033805.db2.gz DFCOITQOYBGCTK-HZMBPMFUSA-N 2 2 288.794 2.836 10 0 CFAELP CC[N@H+]([C@@H](C[NH3+])c1ccc(Cl)c(F)c1)[C@@H](C)COC ZINC000043390653 175033807 /nfs/dbraw/zinc/03/38/07/175033807.db2.gz DFCOITQOYBGCTK-HZMBPMFUSA-N 2 2 288.794 2.836 10 0 CFAELP CCOC1CC[NH+]([C@H](C[NH3+])c2cc(C)cc(C)c2)CC1 ZINC000043394259 175034926 /nfs/dbraw/zinc/03/49/26/175034926.db2.gz CCZBILKLBOYPRG-QGZVFWFLSA-N 2 2 276.424 2.804 10 0 CFAELP CCCC1CCC(C[NH3+])([N@@H+]2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000043424450 175039798 /nfs/dbraw/zinc/03/97/98/175039798.db2.gz YPTOWTDGCODGRK-VUROTCPHSA-N 2 2 280.456 2.928 10 0 CFAELP CCCC1CCC(C[NH3+])([N@H+]2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000043424450 175039800 /nfs/dbraw/zinc/03/98/00/175039800.db2.gz YPTOWTDGCODGRK-VUROTCPHSA-N 2 2 280.456 2.928 10 0 CFAELP CC1CCC(C[NH3+])([N@@H+]2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000043424901 175039959 /nfs/dbraw/zinc/03/99/59/175039959.db2.gz IOJSQWRYGQZLDN-PWUWZPNHSA-N 2 2 266.429 2.537 10 0 CFAELP CC1CCC(C[NH3+])([N@H+]2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000043424901 175039961 /nfs/dbraw/zinc/03/99/61/175039961.db2.gz IOJSQWRYGQZLDN-PWUWZPNHSA-N 2 2 266.429 2.537 10 0 CFAELP C[C@@H](C[C@H](C[NH3+])[N@H+](C)C[C@@H]1CCCO1)c1ccccc1 ZINC000043534951 175063321 /nfs/dbraw/zinc/06/33/21/175063321.db2.gz PUPAUNPYEVRVCN-UAGQMJEPSA-N 2 2 276.424 2.618 10 0 CFAELP C[C@@H](C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCO1)c1ccccc1 ZINC000043534951 175063322 /nfs/dbraw/zinc/06/33/22/175063322.db2.gz PUPAUNPYEVRVCN-UAGQMJEPSA-N 2 2 276.424 2.618 10 0 CFAELP CC[NH2+][C@@H](C)c1ccc(OCC)c(C[NH+]2CCOCC2)c1 ZINC000043808524 175109005 /nfs/dbraw/zinc/10/90/05/175109005.db2.gz FERDDFLDDPBDCG-AWEZNQCLSA-N 2 2 292.423 2.588 10 0 CFAELP CCC[NH2+][C@@H](C[NH+]1CCCC1)c1cccc(OC)c1 ZINC000043807661 175109186 /nfs/dbraw/zinc/10/91/86/175109186.db2.gz SJLIGMWVELXJPM-INIZCTEOSA-N 2 2 262.397 2.832 10 0 CFAELP CC[NH2+][C@@H]1CCC[C@H]1[N@H+](C)Cc1ccc(F)cc1 ZINC000043911205 175123604 /nfs/dbraw/zinc/12/36/04/175123604.db2.gz GVLMDTQTBVUCMH-HUUCEWRRSA-N 2 2 250.361 2.788 10 0 CFAELP CC[NH2+][C@@H]1CCC[C@H]1[N@@H+](C)Cc1ccc(F)cc1 ZINC000043911205 175123605 /nfs/dbraw/zinc/12/36/05/175123605.db2.gz GVLMDTQTBVUCMH-HUUCEWRRSA-N 2 2 250.361 2.788 10 0 CFAELP CC[NH2+][C@H]1CCC[C@@H]1[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911590 175123726 /nfs/dbraw/zinc/12/37/26/175123726.db2.gz VZKBCECDQVGSIX-HOTGVXAUSA-N 2 2 262.397 2.658 10 0 CFAELP CC[NH2+][C@H]1CCC[C@@H]1[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911590 175123727 /nfs/dbraw/zinc/12/37/27/175123727.db2.gz VZKBCECDQVGSIX-HOTGVXAUSA-N 2 2 262.397 2.658 10 0 CFAELP CC[NH2+][C@H](CC)[C@@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000043911920 175123957 /nfs/dbraw/zinc/12/39/57/175123957.db2.gz NJLDZQWHEMCYIG-CZUORRHYSA-N 2 2 264.413 2.904 10 0 CFAELP CC[NH2+][C@H](CC)[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911920 175123958 /nfs/dbraw/zinc/12/39/58/175123958.db2.gz NJLDZQWHEMCYIG-CZUORRHYSA-N 2 2 264.413 2.904 10 0 CFAELP CCC[NH2+][C@H](CCC)[C@H](CC)[NH+](CCOC)CCOC ZINC000043912969 175124192 /nfs/dbraw/zinc/12/41/92/175124192.db2.gz LIHFDZOYOUEAPC-CVEARBPZSA-N 2 2 288.476 2.528 10 0 CFAELP CC[NH2+][C@H](c1ccc(CC)cc1)[C@H](C)[N@H+](C)CCOC ZINC000043916129 175125062 /nfs/dbraw/zinc/12/50/62/175125062.db2.gz FCGSQVNQQGWMJF-YOEHRIQHSA-N 2 2 278.440 2.866 10 0 CFAELP CC[NH2+][C@H](c1ccc(CC)cc1)[C@H](C)[N@@H+](C)CCOC ZINC000043916129 175125063 /nfs/dbraw/zinc/12/50/63/175125063.db2.gz FCGSQVNQQGWMJF-YOEHRIQHSA-N 2 2 278.440 2.866 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966066 175127180 /nfs/dbraw/zinc/12/71/80/175127180.db2.gz HLVQTNWLCIQZPZ-ARFHVFGLSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966066 175127182 /nfs/dbraw/zinc/12/71/82/175127182.db2.gz HLVQTNWLCIQZPZ-ARFHVFGLSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[C@H]([NH2+]C)[C@@H](CC)[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966457 175127797 /nfs/dbraw/zinc/12/77/97/175127797.db2.gz XNDCSRAPOKGDKM-SOUVJXGZSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@H]([NH2+]C)[C@@H](CC)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966457 175127798 /nfs/dbraw/zinc/12/77/98/175127798.db2.gz XNDCSRAPOKGDKM-SOUVJXGZSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H](C[N@H+](C)C[C@@H]1CCCCO1)C(C)(C)C ZINC000043966667 175127900 /nfs/dbraw/zinc/12/79/00/175127900.db2.gz AKQFKTKHJGWYGP-LSDHHAIUSA-N 2 2 270.461 2.902 10 0 CFAELP CCC[NH2+][C@H](C[N@@H+](C)C[C@@H]1CCCCO1)C(C)(C)C ZINC000043966667 175127901 /nfs/dbraw/zinc/12/79/01/175127901.db2.gz AKQFKTKHJGWYGP-LSDHHAIUSA-N 2 2 270.461 2.902 10 0 CFAELP CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)[N@H+](CC)CCOC ZINC000043968672 175129835 /nfs/dbraw/zinc/12/98/35/175129835.db2.gz CCNQHOPXLGMFLE-PBHICJAKSA-N 2 2 294.439 2.703 10 0 CFAELP CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)[N@@H+](CC)CCOC ZINC000043968672 175129836 /nfs/dbraw/zinc/12/98/36/175129836.db2.gz CCNQHOPXLGMFLE-PBHICJAKSA-N 2 2 294.439 2.703 10 0 CFAELP CCC[NH2+][C@H]1c2ccccc2C[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000043969470 175130156 /nfs/dbraw/zinc/13/01/56/175130156.db2.gz YAYTUAJVXNOLIU-JQFCIGGWSA-N 2 2 276.424 2.619 10 0 CFAELP CCC[NH2+][C@H]1c2ccccc2C[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969470 175130158 /nfs/dbraw/zinc/13/01/58/175130158.db2.gz YAYTUAJVXNOLIU-JQFCIGGWSA-N 2 2 276.424 2.619 10 0 CFAELP C[NH2+][C@H](C[N@H+](C)[C@@H](C)COC)c1c(C)cc(C)cc1C ZINC000043969091 175130762 /nfs/dbraw/zinc/13/07/62/175130762.db2.gz AOROJHQANIJVIM-JKSUJKDBSA-N 2 2 278.440 2.839 10 0 CFAELP C[NH2+][C@H](C[N@@H+](C)[C@@H](C)COC)c1c(C)cc(C)cc1C ZINC000043969091 175130763 /nfs/dbraw/zinc/13/07/63/175130763.db2.gz AOROJHQANIJVIM-JKSUJKDBSA-N 2 2 278.440 2.839 10 0 CFAELP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043970086 175131365 /nfs/dbraw/zinc/13/13/65/175131365.db2.gz SDKBGGSLWRLXHJ-BPUTZDHNSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043970086 175131367 /nfs/dbraw/zinc/13/13/67/175131367.db2.gz SDKBGGSLWRLXHJ-BPUTZDHNSA-N 2 2 268.445 2.654 10 0 CFAELP CC[N@H+](C[C@@H]([NH2+]C)c1ccc(C)cc1C)[C@@H](C)COC ZINC000043981041 175134049 /nfs/dbraw/zinc/13/40/49/175134049.db2.gz SGTQBPJVSVGDQX-DOTOQJQBSA-N 2 2 278.440 2.921 10 0 CFAELP CC[N@@H+](C[C@@H]([NH2+]C)c1ccc(C)cc1C)[C@@H](C)COC ZINC000043981041 175134051 /nfs/dbraw/zinc/13/40/51/175134051.db2.gz SGTQBPJVSVGDQX-DOTOQJQBSA-N 2 2 278.440 2.921 10 0 CFAELP CCC[NH2+][C@H](Cn1cc[nH+]c1)c1cccc(OC)c1 ZINC000043992697 175135648 /nfs/dbraw/zinc/13/56/48/175135648.db2.gz VRLNQRAFWHSQRT-OAHLLOKOSA-N 2 2 259.353 2.633 10 0 CFAELP C[N@@H+]1CCC[C@H](CNc2ccc3cc(N)ccc3[nH+]2)C1 ZINC000044535583 175198499 /nfs/dbraw/zinc/19/84/99/175198499.db2.gz YLTIKDFJSZLLKF-GFCCVEGCSA-N 2 2 270.380 2.571 10 0 CFAELP C[N@H+]1CCC[C@H](CNc2ccc3cc(N)ccc3[nH+]2)C1 ZINC000044535583 175198500 /nfs/dbraw/zinc/19/85/00/175198500.db2.gz YLTIKDFJSZLLKF-GFCCVEGCSA-N 2 2 270.380 2.571 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@@H+]1CCOc1cccc(Cl)c1 ZINC000044557646 175202470 /nfs/dbraw/zinc/20/24/70/175202470.db2.gz BTIZYMABYKJRMU-CYBMUJFWSA-N 2 2 268.788 2.532 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@H+]1CCOc1cccc(Cl)c1 ZINC000044557646 175202471 /nfs/dbraw/zinc/20/24/71/175202471.db2.gz BTIZYMABYKJRMU-CYBMUJFWSA-N 2 2 268.788 2.532 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000044558293 175203109 /nfs/dbraw/zinc/20/31/09/175203109.db2.gz ZSSNABJVDDKIFC-CYBMUJFWSA-N 2 2 273.355 2.687 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(F)c2cccnc12 ZINC000044558293 175203111 /nfs/dbraw/zinc/20/31/11/175203111.db2.gz ZSSNABJVDDKIFC-CYBMUJFWSA-N 2 2 273.355 2.687 10 0 CFAELP Cc1cc(C)cc(OCCC[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044558408 175203159 /nfs/dbraw/zinc/20/31/59/175203159.db2.gz ZBICDRKUWRANIQ-MRXNPFEDSA-N 2 2 276.424 2.886 10 0 CFAELP Cc1cc(C)cc(OCCC[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044558408 175203161 /nfs/dbraw/zinc/20/31/61/175203161.db2.gz ZBICDRKUWRANIQ-MRXNPFEDSA-N 2 2 276.424 2.886 10 0 CFAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000044561615 175204692 /nfs/dbraw/zinc/20/46/92/175204692.db2.gz PRNOGGMGTXRDQE-ZFWWWQNUSA-N 2 2 262.397 2.830 10 0 CFAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C)cc1 ZINC000044561615 175204694 /nfs/dbraw/zinc/20/46/94/175204694.db2.gz PRNOGGMGTXRDQE-ZFWWWQNUSA-N 2 2 262.397 2.830 10 0 CFAELP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000044561682 175204817 /nfs/dbraw/zinc/20/48/17/175204817.db2.gz RRLRFDYKHMTIJR-ZBFHGGJFSA-N 2 2 276.424 2.787 10 0 CFAELP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000044561682 175204819 /nfs/dbraw/zinc/20/48/19/175204819.db2.gz RRLRFDYKHMTIJR-ZBFHGGJFSA-N 2 2 276.424 2.787 10 0 CFAELP c1ccc([C@H]2C[NH+]=C(N[C@@H]3CC[N@@H+](C4CC4)C3)S2)cc1 ZINC000044726606 175238951 /nfs/dbraw/zinc/23/89/51/175238951.db2.gz STXKYCXZMBDYOX-UKRRQHHQSA-N 2 2 287.432 2.657 10 0 CFAELP c1ccc([C@H]2C[NH+]=C(N[C@@H]3CC[N@H+](C4CC4)C3)S2)cc1 ZINC000044726606 175238952 /nfs/dbraw/zinc/23/89/52/175238952.db2.gz STXKYCXZMBDYOX-UKRRQHHQSA-N 2 2 287.432 2.657 10 0 CFAELP C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747608 175243051 /nfs/dbraw/zinc/24/30/51/175243051.db2.gz YHUIHKOZDFXVLR-RHSMWYFYSA-N 2 2 274.408 2.844 10 0 CFAELP C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747608 175243052 /nfs/dbraw/zinc/24/30/52/175243052.db2.gz YHUIHKOZDFXVLR-RHSMWYFYSA-N 2 2 274.408 2.844 10 0 CFAELP C[C@H](Cn1c(N)[nH+]c2c1cccc2F)[NH+]1CCCCC1 ZINC000045005570 175288305 /nfs/dbraw/zinc/28/83/05/175288305.db2.gz IAVSTVRKIBYMIL-LLVKDONJSA-N 2 2 276.359 2.632 10 0 CFAELP [NH3+]C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067557 175299962 /nfs/dbraw/zinc/29/99/62/175299962.db2.gz MQLSWZIIDWZTND-HZPDHXFCSA-N 2 2 259.397 2.736 10 0 CFAELP [NH3+]C[C@H](c1ccncc1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067557 175299963 /nfs/dbraw/zinc/29/99/63/175299963.db2.gz MQLSWZIIDWZTND-HZPDHXFCSA-N 2 2 259.397 2.736 10 0 CFAELP CCCC[N@H+](C)CCC[C@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045368424 175363552 /nfs/dbraw/zinc/36/35/52/175363552.db2.gz YFULKZUAULWRGT-INIZCTEOSA-N 2 2 284.444 2.572 10 0 CFAELP CCCC[N@@H+](C)CCC[C@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045368424 175363553 /nfs/dbraw/zinc/36/35/53/175363553.db2.gz YFULKZUAULWRGT-INIZCTEOSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](CC)c1ccccc1C ZINC000045369930 175363819 /nfs/dbraw/zinc/36/38/19/175363819.db2.gz KEZWGBUDYKIWRG-QGZVFWFLSA-N 2 2 292.423 2.882 10 0 CFAELP CCOC(=O)[C@](C)([NH3+])CCC[N@@H+](CC)c1ccccc1C ZINC000045369930 175363820 /nfs/dbraw/zinc/36/38/20/175363820.db2.gz KEZWGBUDYKIWRG-QGZVFWFLSA-N 2 2 292.423 2.882 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[NH+](CC)CC)[NH2+]C1CC1 ZINC000045375877 175366568 /nfs/dbraw/zinc/36/65/68/175366568.db2.gz LGWFHPWQMRLISM-INIZCTEOSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH2+]C ZINC000045379594 175367983 /nfs/dbraw/zinc/36/79/83/175367983.db2.gz OSPLNBRELLXDCR-UXLLHSPISA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH2+]C ZINC000045379594 175367984 /nfs/dbraw/zinc/36/79/84/175367984.db2.gz OSPLNBRELLXDCR-UXLLHSPISA-N 2 2 298.471 2.961 10 0 CFAELP COC(=O)[C@@](C)(CCC[N@H+](C)C1CCCCC1)[NH2+]C1CC1 ZINC000045379171 175368737 /nfs/dbraw/zinc/36/87/37/175368737.db2.gz MTDGXHPVASJSKJ-QGZVFWFLSA-N 2 2 296.455 2.715 10 0 CFAELP COC(=O)[C@@](C)(CCC[N@@H+](C)C1CCCCC1)[NH2+]C1CC1 ZINC000045379171 175368738 /nfs/dbraw/zinc/36/87/38/175368738.db2.gz MTDGXHPVASJSKJ-QGZVFWFLSA-N 2 2 296.455 2.715 10 0 CFAELP COC(=O)[C@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH2+]C(C)C ZINC000045379750 175369243 /nfs/dbraw/zinc/36/92/43/175369243.db2.gz GILRYWJPMIUPQN-UXLLHSPISA-N 2 2 298.471 2.959 10 0 CFAELP COC(=O)[C@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH2+]C(C)C ZINC000045379750 175369244 /nfs/dbraw/zinc/36/92/44/175369244.db2.gz GILRYWJPMIUPQN-UXLLHSPISA-N 2 2 298.471 2.959 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[N@H+](CC)c1ccccc1)C(N)=O ZINC000045379947 175369252 /nfs/dbraw/zinc/36/92/52/175369252.db2.gz NOHHDNPAPWDHPL-KRWDZBQOSA-N 2 2 291.439 2.537 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[N@@H+](CC)c1ccccc1)C(N)=O ZINC000045379947 175369253 /nfs/dbraw/zinc/36/92/53/175369253.db2.gz NOHHDNPAPWDHPL-KRWDZBQOSA-N 2 2 291.439 2.537 10 0 CFAELP CCC[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC)C(C)C ZINC000045385913 175371704 /nfs/dbraw/zinc/37/17/04/175371704.db2.gz JOXNTXYCFUZGGZ-QGZVFWFLSA-N 2 2 298.471 2.961 10 0 CFAELP CCC[N@@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC)C(C)C ZINC000045385913 175371705 /nfs/dbraw/zinc/37/17/05/175371705.db2.gz JOXNTXYCFUZGGZ-QGZVFWFLSA-N 2 2 298.471 2.961 10 0 CFAELP CC[N@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)OC)C1CCCC1 ZINC000045390667 175374778 /nfs/dbraw/zinc/37/47/78/175374778.db2.gz UKLXWLKSAPVHPR-KRWDZBQOSA-N 2 2 296.455 2.715 10 0 CFAELP CC[N@@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)OC)C1CCCC1 ZINC000045390667 175374779 /nfs/dbraw/zinc/37/47/79/175374779.db2.gz UKLXWLKSAPVHPR-KRWDZBQOSA-N 2 2 296.455 2.715 10 0 CFAELP c1coc([C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)c1 ZINC000041064077 270226841 /nfs/dbraw/zinc/22/68/41/270226841.db2.gz YEOZLDVJWYWCND-MRXNPFEDSA-N 2 2 267.332 2.855 10 0 CFAELP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000261627032 274141951 /nfs/dbraw/zinc/14/19/51/274141951.db2.gz ASCMEQNITLVEIK-MLGOLLRUSA-N 2 2 270.376 2.770 10 0 CFAELP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000261627032 274141952 /nfs/dbraw/zinc/14/19/52/274141952.db2.gz ASCMEQNITLVEIK-MLGOLLRUSA-N 2 2 270.376 2.770 10 0 CFAELP COc1cccc2c1[nH+]cc(C)c2N1CC[N@@H+]2CCC[C@H]2C1 ZINC000302601521 278042976 /nfs/dbraw/zinc/04/29/76/278042976.db2.gz CFPGSJDGOHNZKH-AWEZNQCLSA-N 2 2 297.402 2.836 10 0 CFAELP COc1cccc2c1[nH+]cc(C)c2N1CC[N@H+]2CCC[C@H]2C1 ZINC000302601521 278042979 /nfs/dbraw/zinc/04/29/79/278042979.db2.gz CFPGSJDGOHNZKH-AWEZNQCLSA-N 2 2 297.402 2.836 10 0 CFAELP Cc1[nH+]cc(C[NH2+]C2C3CC4CC(C3)CC2C4)n1C ZINC000573863225 322671817 /nfs/dbraw/zinc/67/18/17/322671817.db2.gz KGSROAPXUHYYFL-UHFFFAOYSA-N 2 2 259.397 2.643 10 0 CFAELP CC(C)C[NH2+]C[C@H](C(C)C)[N@H+](C)CCc1ccccn1 ZINC000052423741 519745736 /nfs/dbraw/zinc/74/57/36/519745736.db2.gz IOHMARRECVICPV-QGZVFWFLSA-N 2 2 277.456 2.826 10 0 CFAELP CC(C)C[NH2+]C[C@H](C(C)C)[N@@H+](C)CCc1ccccn1 ZINC000052423741 519745738 /nfs/dbraw/zinc/74/57/38/519745738.db2.gz IOHMARRECVICPV-QGZVFWFLSA-N 2 2 277.456 2.826 10 0 CFAELP CC(C)[NH2+]Cc1ccccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419938 519727973 /nfs/dbraw/zinc/72/79/73/519727973.db2.gz VDQLXEMLIDWDKI-UHFFFAOYSA-N 3 2 289.467 2.711 10 0 CFAELP CC(C)[NH2+]Cc1ccccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419938 519727975 /nfs/dbraw/zinc/72/79/75/519727975.db2.gz VDQLXEMLIDWDKI-UHFFFAOYSA-N 3 2 289.467 2.711 10 0 CFAELP CC(C)Oc1ncccc1C[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052205847 519785975 /nfs/dbraw/zinc/78/59/75/519785975.db2.gz PFJQWPSILVNJDR-INIZCTEOSA-N 2 2 291.439 2.833 10 0 CFAELP CC(C)Oc1ncccc1C[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000052205847 519785976 /nfs/dbraw/zinc/78/59/76/519785976.db2.gz PFJQWPSILVNJDR-INIZCTEOSA-N 2 2 291.439 2.833 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000049196134 519814735 /nfs/dbraw/zinc/81/47/35/519814735.db2.gz GJVMMMAMQRQLKM-DOMZBBRYSA-N 2 2 250.386 2.629 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H](C)CCc1ccco1 ZINC000049197640 519814743 /nfs/dbraw/zinc/81/47/43/519814743.db2.gz QBLOILXRCUJEFH-HIFRSBDPSA-N 2 2 252.402 2.777 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000049196099 519814861 /nfs/dbraw/zinc/81/48/61/519814861.db2.gz WLOCAAVRBIKZAD-YOEHRIQHSA-N 2 2 278.440 2.889 10 0 CFAELP CCC1CCC(C[NH3+])([N@H+](C)Cc2cnn(CC)c2)CC1 ZINC000050539262 519850415 /nfs/dbraw/zinc/85/04/15/519850415.db2.gz HQZRBAKZRPDECW-UHFFFAOYSA-N 2 2 278.444 2.633 10 0 CFAELP CCC1CCC(C[NH3+])([N@@H+](C)Cc2cnn(CC)c2)CC1 ZINC000050539262 519850416 /nfs/dbraw/zinc/85/04/16/519850416.db2.gz HQZRBAKZRPDECW-UHFFFAOYSA-N 2 2 278.444 2.633 10 0 CFAELP CCCC1CC[NH+]([C@@H](c2ccccn2)[C@H](C)[NH3+])CC1 ZINC000050893008 519902935 /nfs/dbraw/zinc/90/29/35/519902935.db2.gz PPGQRQXZDDFXAA-XJKSGUPXSA-N 2 2 261.413 2.982 10 0 CFAELP CCCC1CC[NH+]([C@H](c2cnn(C)c2)[C@H]([NH3+])CC)CC1 ZINC000050892929 519903514 /nfs/dbraw/zinc/90/35/14/519903514.db2.gz XPNCUHZZCKNXHF-HZPDHXFCSA-N 2 2 278.444 2.711 10 0 CFAELP CCC[NH2+]C[C@H](C(C)C)[N@H+](C)CCc1ccncc1 ZINC000052483012 519930385 /nfs/dbraw/zinc/93/03/85/519930385.db2.gz XEFBODGLEJNRBL-MRXNPFEDSA-N 2 2 263.429 2.580 10 0 CFAELP CCC[NH2+]C[C@H](C(C)C)[N@@H+](C)CCc1ccncc1 ZINC000052483012 519930390 /nfs/dbraw/zinc/93/03/90/519930390.db2.gz XEFBODGLEJNRBL-MRXNPFEDSA-N 2 2 263.429 2.580 10 0 CFAELP CC[NH2+]C[C@@H](C(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418166 519931849 /nfs/dbraw/zinc/93/18/49/519931849.db2.gz BLYYDFRPCPIHPG-KRWDZBQOSA-N 2 2 293.430 2.582 10 0 CFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)Cc1cccc(Cl)c1 ZINC000052944543 520205560 /nfs/dbraw/zinc/20/55/60/520205560.db2.gz YAVYPVJZZSHKGH-ZDUSSCGKSA-N 2 2 263.772 2.826 10 0 CFAELP CC[NH+](CC)CCCN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000191487577 520609126 /nfs/dbraw/zinc/60/91/26/520609126.db2.gz DPXQRTPYOHRYTP-UHFFFAOYSA-N 2 2 292.471 2.634 10 0 CFAELP CC[NH+](CC)[C@H](C[NH2+]CCCCCO)c1ccccc1 ZINC000051020665 520865669 /nfs/dbraw/zinc/86/56/69/520865669.db2.gz ZXIODMRLSKMWKQ-QGZVFWFLSA-N 2 2 278.440 2.822 10 0 CFAELP CCN(CC[NH2+]C(C)C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000053707278 521076413 /nfs/dbraw/zinc/07/64/13/521076413.db2.gz KKEFWKWDBQSWKN-UHFFFAOYSA-N 2 2 264.417 2.733 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@H+](CC)CC1CC1)[NH2+]C1CC1 ZINC000069239666 521145253 /nfs/dbraw/zinc/14/52/53/521145253.db2.gz ANEWQLDTKBSCAJ-QGZVFWFLSA-N 2 2 296.455 2.572 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@@H+](CC)CC1CC1)[NH2+]C1CC1 ZINC000069239666 521145260 /nfs/dbraw/zinc/14/52/60/521145260.db2.gz ANEWQLDTKBSCAJ-QGZVFWFLSA-N 2 2 296.455 2.572 10 0 CFAELP CCOc1cccc(C[NH2+][C@@H](C)CC[NH+](C)C)c1OC ZINC000049554083 521366970 /nfs/dbraw/zinc/36/69/70/521366970.db2.gz ACLKSNXNAHXVIQ-ZDUSSCGKSA-N 2 2 280.412 2.524 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187045245 521625411 /nfs/dbraw/zinc/62/54/11/521625411.db2.gz LVWBDCWBBGXTNV-GXTWGEPZSA-N 2 2 256.459 2.592 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187045245 521625413 /nfs/dbraw/zinc/62/54/13/521625413.db2.gz LVWBDCWBBGXTNV-GXTWGEPZSA-N 2 2 256.459 2.592 10 0 CFAELP CCCn1c(C[NH2+][C@H](C)CC[NH+](C)C)nc2ccccc21 ZINC000049554451 521629909 /nfs/dbraw/zinc/62/99/09/521629909.db2.gz QCBQDBNEIVRAAL-CQSZACIVSA-N 2 2 288.439 2.876 10 0 CFAELP CCOC1CC[NH+]([C@@H](C[NH3+])c2ccc(OC)c(C)c2)CC1 ZINC000050596727 521657183 /nfs/dbraw/zinc/65/71/83/521657183.db2.gz IRGXINVVGSFJIH-INIZCTEOSA-N 2 2 292.423 2.504 10 0 CFAELP CCC[N@H+](CCOc1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071331863 521669548 /nfs/dbraw/zinc/66/95/48/521669548.db2.gz JICNPXNCWNPNAY-AWEZNQCLSA-N 2 2 282.815 2.793 10 0 CFAELP CCC[N@@H+](CCOc1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071331863 521669551 /nfs/dbraw/zinc/66/95/51/521669551.db2.gz JICNPXNCWNPNAY-AWEZNQCLSA-N 2 2 282.815 2.793 10 0 CFAELP C[NH2+]CC(C)(C)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000051214542 521966829 /nfs/dbraw/zinc/96/68/29/521966829.db2.gz FJTGZQADOPHBDO-UHFFFAOYSA-N 2 2 295.858 2.708 10 0 CFAELP CC[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062709838 522065498 /nfs/dbraw/zinc/06/54/98/522065498.db2.gz IIJNBHHWGWDFJZ-PELKAZGASA-N 2 2 260.303 2.834 10 0 CFAELP CC[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062709838 522065506 /nfs/dbraw/zinc/06/55/06/522065506.db2.gz IIJNBHHWGWDFJZ-PELKAZGASA-N 2 2 260.303 2.834 10 0 CFAELP C[NH2+]Cc1oc(C[NH+]2Cc3ccccc3C2)cc1C ZINC000052374615 522162006 /nfs/dbraw/zinc/16/20/06/522162006.db2.gz AVQYNYSPUZVMJS-UHFFFAOYSA-N 2 2 256.349 2.823 10 0 CFAELP C[NH2+][C@@H](Cc1[nH+]cc(C)c(OC)c1C)c1ccco1 ZINC000054456032 522365496 /nfs/dbraw/zinc/36/54/96/522365496.db2.gz HZVNIGCLLNMGGM-ZDUSSCGKSA-N 2 2 260.337 2.803 10 0 CFAELP CCc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)C1CC1 ZINC000062808229 522501580 /nfs/dbraw/zinc/50/15/80/522501580.db2.gz RSTGFAONGODWIJ-LBPRGKRZSA-N 2 2 257.381 2.987 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191786384 522595348 /nfs/dbraw/zinc/59/53/48/522595348.db2.gz LBFUMMZVCHGTER-MRXNPFEDSA-N 3 2 292.471 2.814 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000191786384 522595359 /nfs/dbraw/zinc/59/53/59/522595359.db2.gz LBFUMMZVCHGTER-MRXNPFEDSA-N 3 2 292.471 2.814 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCCN(CCC[NH+](CC)CC)C1 ZINC000191786384 522595365 /nfs/dbraw/zinc/59/53/65/522595365.db2.gz LBFUMMZVCHGTER-MRXNPFEDSA-N 2 2 292.471 2.814 10 0 CFAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052570741 523516438 /nfs/dbraw/zinc/51/64/38/523516438.db2.gz PUOPJZCPCXRSAO-OAGGEKHMSA-N 2 2 270.461 2.756 10 0 CFAELP CC[C@@H]1CO[C@H](C)C[N@H+]1[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052570741 523516445 /nfs/dbraw/zinc/51/64/45/523516445.db2.gz PUOPJZCPCXRSAO-OAGGEKHMSA-N 2 2 270.461 2.756 10 0 CFAELP CCn1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000156580978 523666947 /nfs/dbraw/zinc/66/69/47/523666947.db2.gz LGONFASPXPZBFD-XUJVJEKNSA-N 2 2 278.444 2.653 10 0 CFAELP CCn1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000156580978 523666961 /nfs/dbraw/zinc/66/69/61/523666961.db2.gz LGONFASPXPZBFD-XUJVJEKNSA-N 2 2 278.444 2.653 10 0 CFAELP COc1ccc(C[C@@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)cc1 ZINC000049197671 524137503 /nfs/dbraw/zinc/13/75/03/524137503.db2.gz VVHCAMGQBGALJE-PBHICJAKSA-N 2 2 278.440 2.802 10 0 CFAELP Cc1ccc(C)c(OCC[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000070178003 524177316 /nfs/dbraw/zinc/17/73/16/524177316.db2.gz PBURDBWTVWRAGC-HOCLYGCPSA-N 2 2 276.424 2.741 10 0 CFAELP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000070178003 524177322 /nfs/dbraw/zinc/17/73/22/524177322.db2.gz PBURDBWTVWRAGC-HOCLYGCPSA-N 2 2 276.424 2.741 10 0 CFAELP C[C@@H]1CCC[N@H+](CCOc2cccc(Cl)c2)[C@@H]1C[NH3+] ZINC000070177857 524231062 /nfs/dbraw/zinc/23/10/62/524231062.db2.gz QDTNPHDARUDYTC-IUODEOHRSA-N 2 2 282.815 2.778 10 0 CFAELP C[C@@H]1CCC[N@@H+](CCOc2cccc(Cl)c2)[C@@H]1C[NH3+] ZINC000070177857 524231069 /nfs/dbraw/zinc/23/10/69/524231069.db2.gz QDTNPHDARUDYTC-IUODEOHRSA-N 2 2 282.815 2.778 10 0 CFAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccc(F)cc2)[C@@H]1C ZINC000050563512 524244710 /nfs/dbraw/zinc/24/47/10/524244710.db2.gz MXDIYXHEGUPQDR-JMSVASOKSA-N 2 2 250.361 2.946 10 0 CFAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc(F)cc2)[C@@H]1C ZINC000050563512 524244717 /nfs/dbraw/zinc/24/47/17/524244717.db2.gz MXDIYXHEGUPQDR-JMSVASOKSA-N 2 2 250.361 2.946 10 0 CFAELP Cc1cc(C)c(C[NH2+]C2CC2)c(N(C)CC(F)(F)F)[nH+]1 ZINC000051447877 524270397 /nfs/dbraw/zinc/27/03/97/524270397.db2.gz REFGTSFGHHZQAQ-UHFFFAOYSA-N 2 2 287.329 2.949 10 0 CFAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000049151246 524318973 /nfs/dbraw/zinc/31/89/73/524318973.db2.gz OTPUIUOHTFMTIT-KGLIPLIRSA-N 2 2 274.408 2.756 10 0 CFAELP COc1ccccc1C[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC000049150995 524511405 /nfs/dbraw/zinc/51/14/05/524511405.db2.gz LTKCNKKFOPLGCK-GJZGRUSLSA-N 2 2 276.424 2.700 10 0 CFAELP Cc1cc(C[NH2+][C@@H](C[NH+](C)C)C(C)C)cc(C)c1O ZINC000049197362 524768436 /nfs/dbraw/zinc/76/84/36/524768436.db2.gz KFDUVONXVDWHGS-HNNXBMFYSA-N 2 2 264.413 2.685 10 0 CFAELP C[C@@H]1C[N@@H+](C2(C[NH3+])CCC(C(F)(F)F)CC2)CCCO1 ZINC000069374945 524918989 /nfs/dbraw/zinc/91/89/89/524918989.db2.gz LQKAHXRPBWMVOP-PNESKVBLSA-N 2 2 294.361 2.547 10 0 CFAELP C[C@@H]1C[N@H+](C2(C[NH3+])CCC(C(F)(F)F)CC2)CCCO1 ZINC000069374945 524919000 /nfs/dbraw/zinc/91/90/00/524919000.db2.gz LQKAHXRPBWMVOP-PNESKVBLSA-N 2 2 294.361 2.547 10 0 CFAELP C[C@@H](Cn1cc[nH+]c1)Nc1ccc2cc(N)ccc2[nH+]1 ZINC000049234780 524964802 /nfs/dbraw/zinc/96/48/02/524964802.db2.gz NONPJIQAVPHPTJ-NSHDSACASA-N 2 2 267.336 2.514 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2cc(C[NH2+]C(C)(C)C)co2)C[C@H](C)O1 ZINC000052380657 524984458 /nfs/dbraw/zinc/98/44/58/524984458.db2.gz RIPJEGSUKYEHAY-BETUJISGSA-N 2 2 280.412 2.777 10 0 CFAELP C[C@@H]1C[N@H+](Cc2cc(C[NH2+]C(C)(C)C)co2)C[C@H](C)O1 ZINC000052380657 524984469 /nfs/dbraw/zinc/98/44/69/524984469.db2.gz RIPJEGSUKYEHAY-BETUJISGSA-N 2 2 280.412 2.777 10 0 CFAELP COc1ccc([C@H](C)[NH2+][C@H](C)C[NH+]2CCCC2)cc1 ZINC000049149461 525334772 /nfs/dbraw/zinc/33/47/72/525334772.db2.gz SJIQEELRHCOXDI-KGLIPLIRSA-N 2 2 262.397 2.830 10 0 CFAELP COc1ccc([C@H](C[NH3+])[NH+]2CCC(C)CC2)cc1C ZINC000050596392 525351554 /nfs/dbraw/zinc/35/15/54/525351554.db2.gz RUJHEZHQCRUWPR-HNNXBMFYSA-N 2 2 262.397 2.735 10 0 CFAELP CSc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])cc1 ZINC000235088642 525993679 /nfs/dbraw/zinc/99/36/79/525993679.db2.gz BGYPEGGPCBYPCJ-GXTWGEPZSA-N 2 2 264.438 2.968 10 0 CFAELP CSc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])cc1 ZINC000235088642 525993689 /nfs/dbraw/zinc/99/36/89/525993689.db2.gz BGYPEGGPCBYPCJ-GXTWGEPZSA-N 2 2 264.438 2.968 10 0 CFAELP Cc1nc(C)c([C@@H](C)[NH2+]CC[NH2+]C2CCCC2)s1 ZINC000049534971 526744836 /nfs/dbraw/zinc/74/48/36/526744836.db2.gz YGFHINQJPZLSPV-SNVBAGLBSA-N 2 2 267.442 2.943 10 0 CFAELP C[Si](C)(C)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171736056 619067535 /nfs/dbraw/zinc/06/75/35/619067535.db2.gz JQFLPMJIZYJWIZ-CYBMUJFWSA-N 2 2 263.461 2.693 10 0 CFAELP C[Si](C)(C)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171736056 619067536 /nfs/dbraw/zinc/06/75/36/619067536.db2.gz JQFLPMJIZYJWIZ-CYBMUJFWSA-N 2 2 263.461 2.693 10 0 CFAELP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)c2ccccc12 ZINC000261785214 619262354 /nfs/dbraw/zinc/26/23/54/619262354.db2.gz PWZXAVDPLPHBHS-WBMJQRKESA-N 2 2 270.376 2.770 10 0 CFAELP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)c2ccccc12 ZINC000261785214 619262356 /nfs/dbraw/zinc/26/23/56/619262356.db2.gz PWZXAVDPLPHBHS-WBMJQRKESA-N 2 2 270.376 2.770 10 0 CFAELP CO[C@H](c1ccc(-c2cc[nH+]c(N(C)C)c2)cc1)[C@H](C)[NH3+] ZINC000904849220 621658167 /nfs/dbraw/zinc/65/81/67/621658167.db2.gz JCMFRQAHGXRHQN-SJCJKPOMSA-N 2 2 285.391 2.849 10 0 CFAELP CO[C@H](c1ccc(-c2cc[nH+]c(N(C)C)c2)cc1)[C@@H](C)[NH3+] ZINC000904849218 621658171 /nfs/dbraw/zinc/65/81/71/621658171.db2.gz JCMFRQAHGXRHQN-PXAZEXFGSA-N 2 2 285.391 2.849 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c(C)c1 ZINC000229200151 623188403 /nfs/dbraw/zinc/18/84/03/623188403.db2.gz GWSBCOZHNQHYKN-JYJNAYRXSA-N 2 2 276.424 2.721 10 0 CFAELP [NH3+]C1CCC(Nc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000094078846 650951481 /nfs/dbraw/zinc/95/14/81/650951481.db2.gz CLOUHHUYVCMPHH-UHFFFAOYSA-N 2 2 274.412 2.754 10 0 CFAELP CC(C)[NH2+]Cc1sc(C[NH+](C)C)nc1C(C)C ZINC000082431496 178009572 /nfs/dbraw/zinc/00/95/72/178009572.db2.gz LLCAKLSCLLVFMS-UHFFFAOYSA-N 2 2 255.431 2.826 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000126678140 187255455 /nfs/dbraw/zinc/25/54/55/187255455.db2.gz QXFFJQHHGBQNRY-GOEBONIOSA-N 2 2 278.440 2.889 10 0 CFAELP C[N@@H+]1CC[C@@H](C[NH2+]C2CCCCC2)[C@@H]1c1cccnc1 ZINC000414217789 529793831 /nfs/dbraw/zinc/79/38/31/529793831.db2.gz DPVATTLPSQXTLV-RDJZCZTQSA-N 2 2 273.424 2.997 10 0 CFAELP C[N@H+]1CC[C@@H](C[NH2+]C2CCCCC2)[C@@H]1c1cccnc1 ZINC000414217789 529793832 /nfs/dbraw/zinc/79/38/32/529793832.db2.gz DPVATTLPSQXTLV-RDJZCZTQSA-N 2 2 273.424 2.997 10 0 CFAELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000134438729 347897865 /nfs/dbraw/zinc/89/78/65/347897865.db2.gz LZSAXBIJJJMADK-QGZVFWFLSA-N 2 2 290.451 2.794 10 0 CFAELP Cc1cc([NH+](C)C)ccc1N[C@H]1CCC[N@H+](C)CC1 ZINC000086817614 179345926 /nfs/dbraw/zinc/34/59/26/179345926.db2.gz NHNBEZGDFQBNAA-AWEZNQCLSA-N 2 2 261.413 2.957 10 0 CFAELP Cc1cc([NH+](C)C)ccc1N[C@H]1CCC[N@@H+](C)CC1 ZINC000086817614 179345928 /nfs/dbraw/zinc/34/59/28/179345928.db2.gz NHNBEZGDFQBNAA-AWEZNQCLSA-N 2 2 261.413 2.957 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382445857 348529316 /nfs/dbraw/zinc/52/93/16/348529316.db2.gz AQYISAAJMBWHQY-GXTWGEPZSA-N 2 2 255.365 2.504 10 0 CFAELP C[NH+](C)CC(C[NH+](C)C)Nc1cccc2ccccc21 ZINC000584614133 348689871 /nfs/dbraw/zinc/68/98/71/348689871.db2.gz RZIJQHWLCYNOJK-UHFFFAOYSA-N 2 2 271.408 2.744 10 0 CFAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000300414569 539728495 /nfs/dbraw/zinc/72/84/95/539728495.db2.gz MPIKIWPNTZAJKC-JSGCOSHPSA-N 2 2 250.411 2.883 10 0 CFAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000300414569 539728499 /nfs/dbraw/zinc/72/84/99/539728499.db2.gz MPIKIWPNTZAJKC-JSGCOSHPSA-N 2 2 250.411 2.883 10 0 CFAELP Cc1cnn(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000123914113 187114546 /nfs/dbraw/zinc/11/45/46/187114546.db2.gz PYKQFAAJEWHECB-OAHLLOKOSA-N 2 2 295.390 2.728 10 0 CFAELP c1ccc(C[N@@H+]2CCO[C@@H](Nc3cccc[nH+]3)CC2)cc1 ZINC000616662919 352403963 /nfs/dbraw/zinc/40/39/63/352403963.db2.gz LSJGIXYQTCXXFE-QGZVFWFLSA-N 2 2 283.375 2.742 10 0 CFAELP c1ccc(C[N@H+]2CCO[C@@H](Nc3cccc[nH+]3)CC2)cc1 ZINC000616662919 352403969 /nfs/dbraw/zinc/40/39/69/352403969.db2.gz LSJGIXYQTCXXFE-QGZVFWFLSA-N 2 2 283.375 2.742 10 0 CFAELP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000156871515 188285658 /nfs/dbraw/zinc/28/56/58/188285658.db2.gz QQXGQJOHLXCZJI-SZMVWBNQSA-N 2 2 290.451 2.562 10 0 CFAELP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000156871515 188285659 /nfs/dbraw/zinc/28/56/59/188285659.db2.gz QQXGQJOHLXCZJI-SZMVWBNQSA-N 2 2 290.451 2.562 10 0 CFAELP [NH3+][C@@H]1CCC[C@@H]2CN(c3[nH+]ccc4ccccc43)C[C@H]21 ZINC000228549003 540105165 /nfs/dbraw/zinc/10/51/65/540105165.db2.gz CTNUZUYERFUQDG-FVQBIDKESA-N 2 2 267.376 2.798 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1cccc(Br)c1 ZINC000675053708 540314778 /nfs/dbraw/zinc/31/47/78/540314778.db2.gz KRTDQPUUYZWPEJ-QWHCGFSZSA-N 2 2 283.213 2.933 10 0 CFAELP CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1cccc(Br)c1 ZINC000675053708 540314781 /nfs/dbraw/zinc/31/47/81/540314781.db2.gz KRTDQPUUYZWPEJ-QWHCGFSZSA-N 2 2 283.213 2.933 10 0 CFAELP CC[C@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)CC[C@H]1[NH3+] ZINC000251757979 540550754 /nfs/dbraw/zinc/55/07/54/540550754.db2.gz LTHWFVBLBLUJPT-GXSJLCMTSA-N 2 2 273.302 2.664 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000178333705 189107967 /nfs/dbraw/zinc/10/79/67/189107967.db2.gz BVBYRRHPZQMCJF-MRXNPFEDSA-N 2 2 273.355 2.995 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000178333705 189107968 /nfs/dbraw/zinc/10/79/68/189107968.db2.gz BVBYRRHPZQMCJF-MRXNPFEDSA-N 2 2 273.355 2.995 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc3cnccc32)C1 ZINC000061125437 540979096 /nfs/dbraw/zinc/97/90/96/540979096.db2.gz KNLCMTLIMRAANJ-MRXNPFEDSA-N 2 2 269.392 2.809 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2cccc3cnccc32)C1 ZINC000061125437 540979100 /nfs/dbraw/zinc/97/91/00/540979100.db2.gz KNLCMTLIMRAANJ-MRXNPFEDSA-N 2 2 269.392 2.809 10 0 CFAELP Cc1cccc2c(N(C)Cc3[nH+]ccn3C)cc[nH+]c12 ZINC000301864084 201237842 /nfs/dbraw/zinc/23/78/42/201237842.db2.gz BAUAUIAPINXRPJ-UHFFFAOYSA-N 2 2 266.348 2.913 10 0 CFAELP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000667005623 541169920 /nfs/dbraw/zinc/16/99/20/541169920.db2.gz XNZVOZKTHZUJTO-WOPDTQHZSA-N 2 2 253.415 2.572 10 0 CFAELP CCc1cc(NC[C@H]2CCC[N@@H+]2CC(C)C)nc(C)[nH+]1 ZINC000302078618 201335870 /nfs/dbraw/zinc/33/58/70/201335870.db2.gz IFDMQQHIKYNDRR-OAHLLOKOSA-N 2 2 276.428 2.880 10 0 CFAELP CCc1cc(NC[C@H]2CCC[N@H+]2CC(C)C)nc(C)[nH+]1 ZINC000302078618 201335872 /nfs/dbraw/zinc/33/58/72/201335872.db2.gz IFDMQQHIKYNDRR-OAHLLOKOSA-N 2 2 276.428 2.880 10 0 CFAELP [NH3+]C[C@H](c1ccc2c(c1)OCCCO2)[NH+]1CCCCCC1 ZINC000037675134 372689346 /nfs/dbraw/zinc/68/93/46/372689346.db2.gz IOLBRIGDFWRXOF-OAHLLOKOSA-N 2 2 290.407 2.724 10 0 CFAELP c1coc([C@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)c1 ZINC000041660230 372857056 /nfs/dbraw/zinc/85/70/56/372857056.db2.gz OWJNWDFVUZYFEJ-MRXNPFEDSA-N 2 2 256.349 2.711 10 0 CFAELP Cc1nc(NCC2CC[NH2+]CC2)cc(-c2ccccc2)[nH+]1 ZINC000062202148 373754258 /nfs/dbraw/zinc/75/42/58/373754258.db2.gz YVULOSSCKWOHHM-UHFFFAOYSA-N 2 2 282.391 2.864 10 0 CFAELP CCCc1cc(NC[C@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000070456374 374181366 /nfs/dbraw/zinc/18/13/66/374181366.db2.gz CAWOGUOJJARAAH-ZDUSSCGKSA-N 2 2 276.428 2.964 10 0 CFAELP Cc1ccc(-c2nc(N3CCC[NH2+]CC3)cc(C)[nH+]2)cc1 ZINC000070451912 374177430 /nfs/dbraw/zinc/17/74/30/374177430.db2.gz UCGCIPPBRWXOQI-UHFFFAOYSA-N 2 2 282.391 2.560 10 0 CFAELP CCCc1cc(N2CCC[NH2+]CC2)nc(-c2ccccc2)[nH+]1 ZINC000070451906 374177702 /nfs/dbraw/zinc/17/77/02/374177702.db2.gz FRARBEIDWYVTLC-UHFFFAOYSA-N 2 2 296.418 2.896 10 0 CFAELP Cc1ccc(-c2nc(N3CCC([NH3+])CC3)c(C)c(C)[nH+]2)cc1 ZINC000070451805 374177976 /nfs/dbraw/zinc/17/79/76/374177976.db2.gz LDBNISPRUOMIMQ-UHFFFAOYSA-N 2 2 296.418 2.996 10 0 CFAELP FC(F)(F)c1cc[nH+]c(NC[C@@H]2CCC[NH2+]C2)c1 ZINC000090803825 375031932 /nfs/dbraw/zinc/03/19/32/375031932.db2.gz GDPFOXGDZMCJIG-SECBINFHSA-N 2 2 259.275 2.512 10 0 CFAELP FC(F)(F)c1cc[nH+]c(NC[C@H]2CCC[NH2+]C2)c1 ZINC000090803827 375031946 /nfs/dbraw/zinc/03/19/46/375031946.db2.gz GDPFOXGDZMCJIG-VIFPVBQESA-N 2 2 259.275 2.512 10 0 CFAELP Cc1csc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000131108749 377658430 /nfs/dbraw/zinc/65/84/30/377658430.db2.gz BSXGRWXOYCRYAB-ZDUSSCGKSA-N 2 2 276.409 2.621 10 0 CFAELP Cc1csc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000131108749 377658441 /nfs/dbraw/zinc/65/84/41/377658441.db2.gz BSXGRWXOYCRYAB-ZDUSSCGKSA-N 2 2 276.409 2.621 10 0 CFAELP CCO[C@H]1C[C@@H]([N@H+](C)CCn2cc[nH+]c2)C12CCCC2 ZINC000131903111 377776504 /nfs/dbraw/zinc/77/65/04/377776504.db2.gz GIHLQHNSJYYQGX-CABCVRRESA-N 2 2 277.412 2.553 10 0 CFAELP CCO[C@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2)C12CCCC2 ZINC000131903111 377776511 /nfs/dbraw/zinc/77/65/11/377776511.db2.gz GIHLQHNSJYYQGX-CABCVRRESA-N 2 2 277.412 2.553 10 0 CFAELP O[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000135631410 378152094 /nfs/dbraw/zinc/15/20/94/378152094.db2.gz UPJSNJWMUGZVKU-IRXDYDNUSA-N 2 2 285.391 2.656 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000146253767 378251417 /nfs/dbraw/zinc/25/14/17/378251417.db2.gz SFYJWIQTIDNONX-MRXNPFEDSA-N 2 2 255.365 2.856 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000146253767 378251422 /nfs/dbraw/zinc/25/14/22/378251422.db2.gz SFYJWIQTIDNONX-MRXNPFEDSA-N 2 2 255.365 2.856 10 0 CFAELP O[C@H](C[NH2+][C@H]1CCCc2sccc21)C[NH+]1CCCCC1 ZINC000151314872 378316057 /nfs/dbraw/zinc/31/60/57/378316057.db2.gz KCKIWCPNNHVVEC-HIFRSBDPSA-N 2 2 294.464 2.562 10 0 CFAELP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)s1 ZINC000151342834 378318574 /nfs/dbraw/zinc/31/85/74/378318574.db2.gz RAHUZOHOXGUNTQ-KGLIPLIRSA-N 2 2 296.480 2.808 10 0 CFAELP C[C@@H]([NH3+])[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000168593003 379092306 /nfs/dbraw/zinc/09/23/06/379092306.db2.gz QQIVGQZSMQACKV-TZMCWYRMSA-N 2 2 255.365 2.798 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[Si](C)(C)C ZINC000178310395 380435575 /nfs/dbraw/zinc/43/55/75/380435575.db2.gz ZSJFORPJCXLHCL-ZDUSSCGKSA-N 2 2 251.450 2.533 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[Si](C)(C)C ZINC000178310395 380435580 /nfs/dbraw/zinc/43/55/80/380435580.db2.gz ZSJFORPJCXLHCL-ZDUSSCGKSA-N 2 2 251.450 2.533 10 0 CFAELP C[C@H](CNc1cc[nH+]c2ccsc21)[N@@H+]1CCOC[C@H]1C ZINC000301395664 382167127 /nfs/dbraw/zinc/16/71/27/382167127.db2.gz LTFDDWSPQKFKDF-VXGBXAGGSA-N 2 2 291.420 2.817 10 0 CFAELP C[C@H](CNc1cc[nH+]c2ccsc21)[N@H+]1CCOC[C@H]1C ZINC000301395664 382167132 /nfs/dbraw/zinc/16/71/32/382167132.db2.gz LTFDDWSPQKFKDF-VXGBXAGGSA-N 2 2 291.420 2.817 10 0 CFAELP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000187820796 382276648 /nfs/dbraw/zinc/27/66/48/382276648.db2.gz JEDHUWNHVLQOAP-SJORKVTESA-N 2 2 294.414 2.713 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000381181872 382518477 /nfs/dbraw/zinc/51/84/77/382518477.db2.gz QENRBJVMTOSWAG-SOUVJXGZSA-N 2 2 267.376 2.717 10 0 CFAELP Cc1cc[nH+]c(NC[C@H]2CCC[NH2+]C2)c1Br ZINC000235936984 382890707 /nfs/dbraw/zinc/89/07/07/382890707.db2.gz MGEWLZDAXSTYFS-JTQLQIEISA-N 2 2 284.201 2.564 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](CC)C2)C12CCCC2 ZINC000247032708 383134975 /nfs/dbraw/zinc/13/49/75/383134975.db2.gz VOOVBFUMEHPWAH-HRCADAONSA-N 2 2 280.456 2.798 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](CC)C2)C12CCCC2 ZINC000247032708 383134979 /nfs/dbraw/zinc/13/49/79/383134979.db2.gz VOOVBFUMEHPWAH-HRCADAONSA-N 2 2 280.456 2.798 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC000248639388 383276327 /nfs/dbraw/zinc/27/63/27/383276327.db2.gz XQDXBQPVXOVZSU-KGLIPLIRSA-N 2 2 285.395 2.634 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)c2cnccn2)C1 ZINC000248639388 383276329 /nfs/dbraw/zinc/27/63/29/383276329.db2.gz XQDXBQPVXOVZSU-KGLIPLIRSA-N 2 2 285.395 2.634 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2ccc(OC)cc2)C1 ZINC000250209252 383372951 /nfs/dbraw/zinc/37/29/51/383372951.db2.gz CIYKNDRXPLUXKN-GDBMZVCRSA-N 2 2 276.424 2.700 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2ccc(OC)cc2)C1 ZINC000250209252 383372955 /nfs/dbraw/zinc/37/29/55/383372955.db2.gz CIYKNDRXPLUXKN-GDBMZVCRSA-N 2 2 276.424 2.700 10 0 CFAELP C[C@H]1[C@H]([NH2+]C2CCC([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000261539081 383508498 /nfs/dbraw/zinc/50/84/98/383508498.db2.gz BMPKSIQQRTZZEJ-IWCVFHTOSA-N 3 2 287.451 2.509 10 0 CFAELP C[C@H]1[C@H]([NH2+]C2CCC([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000261539081 383508502 /nfs/dbraw/zinc/50/85/02/383508502.db2.gz BMPKSIQQRTZZEJ-IWCVFHTOSA-N 3 2 287.451 2.509 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@H]12 ZINC000261560660 383511650 /nfs/dbraw/zinc/51/16/50/383511650.db2.gz FIMLKNBWEAJTDL-LJWDBELGSA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]12 ZINC000261560660 383511656 /nfs/dbraw/zinc/51/16/56/383511656.db2.gz FIMLKNBWEAJTDL-LJWDBELGSA-N 2 2 268.763 2.648 10 0 CFAELP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000262044675 383600266 /nfs/dbraw/zinc/60/02/66/383600266.db2.gz POYPIVXWTOQMQI-SUMWQHHRSA-N 2 2 297.402 2.536 10 0 CFAELP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000262044675 383600269 /nfs/dbraw/zinc/60/02/69/383600269.db2.gz POYPIVXWTOQMQI-SUMWQHHRSA-N 2 2 297.402 2.536 10 0 CFAELP C[C@H](C[N@@H+]1CCC[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000261787496 383560020 /nfs/dbraw/zinc/56/00/20/383560020.db2.gz FXXLXCBUIBQTPX-BXUZGUMPSA-N 2 2 252.789 2.867 10 0 CFAELP C[C@H](C[N@H+]1CCC[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000261787496 383560021 /nfs/dbraw/zinc/56/00/21/383560021.db2.gz FXXLXCBUIBQTPX-BXUZGUMPSA-N 2 2 252.789 2.867 10 0 CFAELP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]([NH+](C)C)C1 ZINC000276157139 385983818 /nfs/dbraw/zinc/98/38/18/385983818.db2.gz FQPPZTCCABMQLL-ZDUSSCGKSA-N 2 2 285.391 2.692 10 0 CFAELP CC(C)=CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000191980147 130343905 /nfs/dbraw/zinc/34/39/05/130343905.db2.gz VWOIJFQNCDAQNC-QGZVFWFLSA-N 2 2 273.424 2.802 10 0 CFAELP CC(C)=CC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000191980147 130343906 /nfs/dbraw/zinc/34/39/06/130343906.db2.gz VWOIJFQNCDAQNC-QGZVFWFLSA-N 2 2 273.424 2.802 10 0 CFAELP CC(C)=CC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000191980147 130343908 /nfs/dbraw/zinc/34/39/08/130343908.db2.gz VWOIJFQNCDAQNC-QGZVFWFLSA-N 2 2 273.424 2.802 10 0 CFAELP CC(C)=CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000191980147 130343909 /nfs/dbraw/zinc/34/39/09/130343909.db2.gz VWOIJFQNCDAQNC-QGZVFWFLSA-N 2 2 273.424 2.802 10 0 CFAELP c1ccc(CC[N@@H+]2CC[C@@H]([NH2+][C@H]3CCCSC3)C2)cc1 ZINC000253180807 131140835 /nfs/dbraw/zinc/14/08/35/131140835.db2.gz DTPARKLWWSUHCH-SJORKVTESA-N 2 2 290.476 2.789 10 0 CFAELP c1ccc(CC[N@H+]2CC[C@@H]([NH2+][C@H]3CCCSC3)C2)cc1 ZINC000253180807 131140838 /nfs/dbraw/zinc/14/08/38/131140838.db2.gz DTPARKLWWSUHCH-SJORKVTESA-N 2 2 290.476 2.789 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC3CCC2CC3)C1 ZINC000382035929 393569402 /nfs/dbraw/zinc/56/94/02/393569402.db2.gz CQLWEKABQODVHQ-NVDSNGLKSA-N 2 2 250.430 2.885 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC3CCC2CC3)C1 ZINC000382035929 393569406 /nfs/dbraw/zinc/56/94/06/393569406.db2.gz CQLWEKABQODVHQ-NVDSNGLKSA-N 2 2 250.430 2.885 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC3CCC2CC3)C1 ZINC000382035931 393569516 /nfs/dbraw/zinc/56/95/16/393569516.db2.gz CQLWEKABQODVHQ-WNZFAQLISA-N 2 2 250.430 2.885 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC3CCC2CC3)C1 ZINC000382035931 393569522 /nfs/dbraw/zinc/56/95/22/393569522.db2.gz CQLWEKABQODVHQ-WNZFAQLISA-N 2 2 250.430 2.885 10 0 CFAELP C[N@H+](Cc1cn2cc(Cl)ccc2n1)[C@@H]1CCC[NH2+]CC1 ZINC000231461523 393781749 /nfs/dbraw/zinc/78/17/49/393781749.db2.gz RYHFYJLIQFUOAM-CQSZACIVSA-N 2 2 292.814 2.562 10 0 CFAELP C[N@@H+](Cc1cn2cc(Cl)ccc2n1)[C@@H]1CCC[NH2+]CC1 ZINC000231461523 393781752 /nfs/dbraw/zinc/78/17/52/393781752.db2.gz RYHFYJLIQFUOAM-CQSZACIVSA-N 2 2 292.814 2.562 10 0 CFAELP CC[NH+](CC)CCC[N@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000246217168 393854954 /nfs/dbraw/zinc/85/49/54/393854954.db2.gz POCXUTRAJOKUFM-JYJNAYRXSA-N 2 2 296.455 2.524 10 0 CFAELP CC[NH+](CC)CCC[N@@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000246217168 393854957 /nfs/dbraw/zinc/85/49/57/393854957.db2.gz POCXUTRAJOKUFM-JYJNAYRXSA-N 2 2 296.455 2.524 10 0 CFAELP COCc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000185223614 543046965 /nfs/dbraw/zinc/04/69/65/543046965.db2.gz NZJHMPYBWQMFSC-KRWDZBQOSA-N 2 2 285.391 2.694 10 0 CFAELP COCc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000185223614 543046967 /nfs/dbraw/zinc/04/69/67/543046967.db2.gz NZJHMPYBWQMFSC-KRWDZBQOSA-N 2 2 285.391 2.694 10 0 CFAELP COc1ccccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188415265 543061874 /nfs/dbraw/zinc/06/18/74/543061874.db2.gz UGJKSOCDELHKKC-OAHLLOKOSA-N 2 2 271.364 2.556 10 0 CFAELP COc1ccccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188415265 543061875 /nfs/dbraw/zinc/06/18/75/543061875.db2.gz UGJKSOCDELHKKC-OAHLLOKOSA-N 2 2 271.364 2.556 10 0 CFAELP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000311677440 413089707 /nfs/dbraw/zinc/08/97/07/413089707.db2.gz IHRRGUPJGGIZCX-SWLSCSKDSA-N 2 2 284.831 2.692 10 0 CFAELP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000311677440 413089710 /nfs/dbraw/zinc/08/97/10/413089710.db2.gz IHRRGUPJGGIZCX-SWLSCSKDSA-N 2 2 284.831 2.692 10 0 CFAELP [NH3+]C[C@]12CCC[C@H]1CN(c1cc(C(F)(F)F)cc[nH+]1)C2 ZINC000312644841 413094343 /nfs/dbraw/zinc/09/43/43/413094343.db2.gz DSCXXXOCWUXKAF-AAEUAGOBSA-N 2 2 285.313 2.666 10 0 CFAELP Cc1cc[nH+]c(NCCC2(C[NH3+])CC2)c1Br ZINC000395919644 397554355 /nfs/dbraw/zinc/55/43/55/397554355.db2.gz WRTGZXPHSZTYPZ-UHFFFAOYSA-N 2 2 284.201 2.693 10 0 CFAELP CC[NH+]1CCC([NH2+]Cc2nc3ccccc3s2)CC1 ZINC000020135968 171023101 /nfs/dbraw/zinc/02/31/01/171023101.db2.gz XHLWLSVQHYKHKF-UHFFFAOYSA-N 2 2 275.421 2.870 10 0 CFAELP CCCOc1cccc([C@@H](C[NH3+])[N@H+](C)CC2CC2)c1 ZINC000020226618 171091464 /nfs/dbraw/zinc/09/14/64/171091464.db2.gz LBDBUOATIFEMLD-MRXNPFEDSA-N 2 2 262.397 2.817 10 0 CFAELP CCCOc1cccc([C@@H](C[NH3+])[N@@H+](C)CC2CC2)c1 ZINC000020226618 171091467 /nfs/dbraw/zinc/09/14/67/171091467.db2.gz LBDBUOATIFEMLD-MRXNPFEDSA-N 2 2 262.397 2.817 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)CC(C)(C)C)cc1OC ZINC000020226358 171091957 /nfs/dbraw/zinc/09/19/57/171091957.db2.gz ABQXSRQHPNLDMQ-CYBMUJFWSA-N 2 2 280.412 2.682 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)CC(C)(C)C)cc1OC ZINC000020226358 171091959 /nfs/dbraw/zinc/09/19/59/171091959.db2.gz ABQXSRQHPNLDMQ-CYBMUJFWSA-N 2 2 280.412 2.682 10 0 CFAELP COC(C)(C)C[C@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000020524766 171237574 /nfs/dbraw/zinc/23/75/74/171237574.db2.gz HCPBIHMNAMYMBJ-UONOGXRCSA-N 2 2 258.450 2.756 10 0 CFAELP COc1cccc([C@H](C[NH3+])[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000022216375 171375908 /nfs/dbraw/zinc/37/59/08/171375908.db2.gz HFGAEKBLCBOJGA-IOASZLSFSA-N 2 2 262.397 2.673 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(Br)ccc1F ZINC000035503749 172237580 /nfs/dbraw/zinc/23/75/80/172237580.db2.gz VJMNKLMHUUJEMC-NSHDSACASA-N 2 2 298.159 2.815 10 0 CFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Br)o1 ZINC000035570009 172265354 /nfs/dbraw/zinc/26/53/54/172265354.db2.gz TVSDAJVBSFVELY-QMMMGPOBSA-N 2 2 284.157 2.659 10 0 CFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)Cc1c(F)cccc1Cl ZINC000035570133 172265633 /nfs/dbraw/zinc/26/56/33/172265633.db2.gz MUOUUNUXUXWMJE-SNVBAGLBSA-N 2 2 281.762 2.966 10 0 CFAELP Cc1ccc(C[N@@H+](C)[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000035699344 172368498 /nfs/dbraw/zinc/36/84/98/172368498.db2.gz QBRIYRHYEAPSAH-OAHLLOKOSA-N 2 2 258.365 2.590 10 0 CFAELP Cc1ccc(C[N@H+](C)[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000035699344 172368501 /nfs/dbraw/zinc/36/85/01/172368501.db2.gz QBRIYRHYEAPSAH-OAHLLOKOSA-N 2 2 258.365 2.590 10 0 CFAELP c1ccc2c(c1)CSC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000037228763 173049542 /nfs/dbraw/zinc/04/95/42/173049542.db2.gz TYCKCIBGWBSPFY-OAHLLOKOSA-N 2 2 262.422 2.660 10 0 CFAELP CC[N@H+](C)[C@H](C[NH3+])c1c(OC)ccc2ccccc21 ZINC000037290095 173095516 /nfs/dbraw/zinc/09/55/16/173095516.db2.gz BNUGDZIFEXPNQU-CQSZACIVSA-N 2 2 258.365 2.800 10 0 CFAELP CC[N@@H+](C)[C@H](C[NH3+])c1c(OC)ccc2ccccc21 ZINC000037290095 173095518 /nfs/dbraw/zinc/09/55/18/173095518.db2.gz BNUGDZIFEXPNQU-CQSZACIVSA-N 2 2 258.365 2.800 10 0 CFAELP [NH3+]C1CCC(c2[nH]c3cc(F)c(F)cc3[nH+]2)CC1 ZINC000037562255 173272785 /nfs/dbraw/zinc/27/27/85/173272785.db2.gz HTSJGYUXPDSGSI-UHFFFAOYSA-N 2 2 251.280 2.826 10 0 CFAELP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2nc(C)cs2)C1 ZINC000038090931 174104704 /nfs/dbraw/zinc/10/47/04/174104704.db2.gz OGTVYQWLHIMGCL-OLZOCXBDSA-N 2 2 267.442 2.662 10 0 CFAELP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2nc(C)cs2)C1 ZINC000038090931 174104707 /nfs/dbraw/zinc/10/47/07/174104707.db2.gz OGTVYQWLHIMGCL-OLZOCXBDSA-N 2 2 267.442 2.662 10 0 CFAELP COc1ccccc1[C@H](C[NH3+])[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000039789063 174173151 /nfs/dbraw/zinc/17/31/51/174173151.db2.gz PXJKIGJDTOGSFR-GUTXKFCHSA-N 2 2 262.397 2.958 10 0 CFAELP COc1ccccc1[C@H](C[NH3+])[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000039789063 174173153 /nfs/dbraw/zinc/17/31/53/174173153.db2.gz PXJKIGJDTOGSFR-GUTXKFCHSA-N 2 2 262.397 2.958 10 0 CFAELP COCCCn1c(CCCCC[NH3+])[nH+]c2ccccc21 ZINC000040163855 174196830 /nfs/dbraw/zinc/19/68/30/174196830.db2.gz PHMDCCOJUAFBFR-UHFFFAOYSA-N 2 2 275.396 2.744 10 0 CFAELP c1csc(C[NH2+]C[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000040397609 174253040 /nfs/dbraw/zinc/25/30/40/174253040.db2.gz HUAFREPBJRNGOP-CQSZACIVSA-N 2 2 258.390 2.552 10 0 CFAELP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1ccc(O)cc1 ZINC000040502239 174298292 /nfs/dbraw/zinc/29/82/92/174298292.db2.gz VDSOLDSNYHQHBR-ZBFHGGJFSA-N 2 2 262.397 2.917 10 0 CFAELP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1ccc(O)cc1 ZINC000040502239 174298294 /nfs/dbraw/zinc/29/82/94/174298294.db2.gz VDSOLDSNYHQHBR-ZBFHGGJFSA-N 2 2 262.397 2.917 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000040502216 174298449 /nfs/dbraw/zinc/29/84/49/174298449.db2.gz WZTQBOCMYMDUQZ-DZGCQCFKSA-N 2 2 262.397 2.830 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000040502216 174298450 /nfs/dbraw/zinc/29/84/50/174298450.db2.gz WZTQBOCMYMDUQZ-DZGCQCFKSA-N 2 2 262.397 2.830 10 0 CFAELP Cc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2C)c(C)c1 ZINC000040638772 174363218 /nfs/dbraw/zinc/36/32/18/174363218.db2.gz HZOTWAIFMWAGPC-CQSZACIVSA-N 2 2 257.381 2.930 10 0 CFAELP CC[NH+](CC)[C@@H](C[NH3+])c1cccc(OC(C)C)c1 ZINC000040640852 174364217 /nfs/dbraw/zinc/36/42/17/174364217.db2.gz WHXPWMFTWZIDMF-HNNXBMFYSA-N 2 2 250.386 2.815 10 0 CFAELP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000040668685 174367744 /nfs/dbraw/zinc/36/77/44/174367744.db2.gz FWTZZAXRDBVBSW-XDNAFOTISA-N 3 2 295.515 2.817 10 0 CFAELP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000040668685 174367746 /nfs/dbraw/zinc/36/77/46/174367746.db2.gz FWTZZAXRDBVBSW-XDNAFOTISA-N 3 2 295.515 2.817 10 0 CFAELP Cc1cccc(C2CC([NH2+][C@@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000040672789 174371161 /nfs/dbraw/zinc/37/11/61/174371161.db2.gz RRROWUIWSXLTGL-AQFXKWCLSA-N 2 2 258.409 2.925 10 0 CFAELP Cc1cccc(C2CC([NH2+][C@@H]3CCC[N@H+](C)C3)C2)c1 ZINC000040672789 174371162 /nfs/dbraw/zinc/37/11/62/174371162.db2.gz RRROWUIWSXLTGL-AQFXKWCLSA-N 2 2 258.409 2.925 10 0 CFAELP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000040673096 174371174 /nfs/dbraw/zinc/37/11/74/174371174.db2.gz ILGBOGXNEKGILO-GJZGRUSLSA-N 2 2 261.413 2.752 10 0 CFAELP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000040673096 174371176 /nfs/dbraw/zinc/37/11/76/174371176.db2.gz ILGBOGXNEKGILO-GJZGRUSLSA-N 2 2 261.413 2.752 10 0 CFAELP CCOc1cccc([C@H](C[NH3+])[NH+]2CCC(OCC)CC2)c1 ZINC000040678609 174374860 /nfs/dbraw/zinc/37/48/60/174374860.db2.gz PTROJQQUNOUHCA-KRWDZBQOSA-N 2 2 292.423 2.586 10 0 CFAELP CCOC1CC[NH+](C2(C[NH3+])CCCCCCC2)CC1 ZINC000040678767 174374890 /nfs/dbraw/zinc/37/48/90/174374890.db2.gz RLMAKZBCZDYNCX-UHFFFAOYSA-N 2 2 268.445 2.929 10 0 CFAELP CC(C)(C)c1[nH]c2ccc(NC(=O)CCC[NH3+])cc2[nH+]1 ZINC000040829240 174411043 /nfs/dbraw/zinc/41/10/43/174411043.db2.gz BCPPOSFGYPJVPS-UHFFFAOYSA-N 2 2 274.368 2.538 10 0 CFAELP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000043326743 175008250 /nfs/dbraw/zinc/00/82/50/175008250.db2.gz BRAILKZKYHWWKP-JSGCOSHPSA-N 2 2 262.397 2.943 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043336236 175011732 /nfs/dbraw/zinc/01/17/32/175011732.db2.gz SAOBDZVWPGKSBE-JGGQBBKZSA-N 2 2 280.412 2.805 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043336236 175011733 /nfs/dbraw/zinc/01/17/33/175011733.db2.gz SAOBDZVWPGKSBE-JGGQBBKZSA-N 2 2 280.412 2.805 10 0 CFAELP Cc1cc2[nH+]cn([C@@H](C[NH3+])c3ccccn3)c2cc1C ZINC000043341365 175015276 /nfs/dbraw/zinc/01/52/76/175015276.db2.gz FUIYAEPEOCXOLX-INIZCTEOSA-N 2 2 266.348 2.596 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043348493 175019027 /nfs/dbraw/zinc/01/90/27/175019027.db2.gz RGRAFQVZOQTDEY-JQFCIGGWSA-N 2 2 291.439 2.607 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043348493 175019029 /nfs/dbraw/zinc/01/90/29/175019029.db2.gz RGRAFQVZOQTDEY-JQFCIGGWSA-N 2 2 291.439 2.607 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043353060 175020061 /nfs/dbraw/zinc/02/00/61/175020061.db2.gz UMUQPLLIYOJBAT-XRGAULLZSA-N 2 2 261.413 2.838 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043353060 175020063 /nfs/dbraw/zinc/02/00/63/175020063.db2.gz UMUQPLLIYOJBAT-XRGAULLZSA-N 2 2 261.413 2.838 10 0 CFAELP CCC[N@H+](Cc1ccccc1)[C@@H](C[NH3+])c1ccncc1 ZINC000043353695 175020908 /nfs/dbraw/zinc/02/09/08/175020908.db2.gz PVFUWNDFVRGIFY-KRWDZBQOSA-N 2 2 269.392 2.994 10 0 CFAELP CCC[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])c1ccncc1 ZINC000043353695 175020911 /nfs/dbraw/zinc/02/09/11/175020911.db2.gz PVFUWNDFVRGIFY-KRWDZBQOSA-N 2 2 269.392 2.994 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@@H](c1ccncc1)[C@H](C)[NH3+] ZINC000043354921 175023044 /nfs/dbraw/zinc/02/30/44/175023044.db2.gz NORLDHRZIXUOOH-MEDUHNTESA-N 2 2 266.348 2.676 10 0 CFAELP C[C@H]([NH3+])[C@H](c1ccncc1)n1cc[nH+]c1-c1ccccc1 ZINC000043354993 175023220 /nfs/dbraw/zinc/02/32/20/175023220.db2.gz UMTPXVBEULCNBD-XJKSGUPXSA-N 2 2 278.359 2.882 10 0 CFAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000043363826 175024860 /nfs/dbraw/zinc/02/48/60/175024860.db2.gz PGGFLDIYLQMBTG-YODMDTAWSA-N 2 2 250.386 2.954 10 0 CFAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000043363826 175024862 /nfs/dbraw/zinc/02/48/62/175024862.db2.gz PGGFLDIYLQMBTG-YODMDTAWSA-N 2 2 250.386 2.954 10 0 CFAELP C[C@H](C[C@@H](C[NH3+])[N@H+](C)C[C@@H]1CCCO1)c1ccccc1 ZINC000043534949 175063488 /nfs/dbraw/zinc/06/34/88/175063488.db2.gz PUPAUNPYEVRVCN-PVAVHDDUSA-N 2 2 276.424 2.618 10 0 CFAELP C[C@H](C[C@@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCO1)c1ccccc1 ZINC000043534949 175063489 /nfs/dbraw/zinc/06/34/89/175063489.db2.gz PUPAUNPYEVRVCN-PVAVHDDUSA-N 2 2 276.424 2.618 10 0 CFAELP Cc1ccc2c(c1)[nH+]c(CC[C@H]1CCC[NH2+]C1)n2C ZINC000043585990 175071436 /nfs/dbraw/zinc/07/14/36/175071436.db2.gz PCBVMULFYPIECE-CYBMUJFWSA-N 2 2 257.381 2.814 10 0 CFAELP Cc1cccc2[nH]c([C@H]3CCC[N@@H+]3C3CC[NH2+]CC3)nc21 ZINC000043598635 175077438 /nfs/dbraw/zinc/07/74/38/175077438.db2.gz RHNHJVKGWNDAGG-OAHLLOKOSA-N 2 2 284.407 2.760 10 0 CFAELP Cc1cccc2[nH]c([C@H]3CCC[N@H+]3C3CC[NH2+]CC3)nc21 ZINC000043598635 175077439 /nfs/dbraw/zinc/07/74/39/175077439.db2.gz RHNHJVKGWNDAGG-OAHLLOKOSA-N 2 2 284.407 2.760 10 0 CFAELP CC[N@H+](C1CCCCC1)[C@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043804107 175107387 /nfs/dbraw/zinc/10/73/87/175107387.db2.gz VTDVQCWTECZHEX-HOTGVXAUSA-N 2 2 296.455 2.525 10 0 CFAELP CC[N@@H+](C1CCCCC1)[C@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043804107 175107388 /nfs/dbraw/zinc/10/73/88/175107388.db2.gz VTDVQCWTECZHEX-HOTGVXAUSA-N 2 2 296.455 2.525 10 0 CFAELP CCCC[NH+](CCCC)[C@@H]1CC2(CC[C@H]1[NH2+]C)OCCO2 ZINC000043819460 175114102 /nfs/dbraw/zinc/11/41/02/175114102.db2.gz PPXTVPFDYSJHTG-HZPDHXFCSA-N 2 2 298.471 2.772 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@H]1[N@H+](C)Cc1cccnc1 ZINC000043893423 175118880 /nfs/dbraw/zinc/11/88/80/175118880.db2.gz HQYNHOUNOYJZMQ-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+](C)Cc1cccnc1 ZINC000043893423 175118882 /nfs/dbraw/zinc/11/88/82/175118882.db2.gz HQYNHOUNOYJZMQ-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@H]1c2ccccc2CC[C@H]1[N@H+](C)Cc1ccncc1 ZINC000043893975 175119391 /nfs/dbraw/zinc/11/93/91/175119391.db2.gz CUNCCSHIGNJNPS-MSOLQXFVSA-N 2 2 281.403 2.789 10 0 CFAELP C[NH2+][C@H]1c2ccccc2CC[C@H]1[N@@H+](C)Cc1ccncc1 ZINC000043893975 175119393 /nfs/dbraw/zinc/11/93/93/175119393.db2.gz CUNCCSHIGNJNPS-MSOLQXFVSA-N 2 2 281.403 2.789 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@H]1[N@H+](C)C1CCOCC1 ZINC000043898627 175120936 /nfs/dbraw/zinc/12/09/36/175120936.db2.gz UUIGEWYTOLIOFF-JKSUJKDBSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@H]1[N@@H+](C)C1CCOCC1 ZINC000043898627 175120937 /nfs/dbraw/zinc/12/09/37/175120937.db2.gz UUIGEWYTOLIOFF-JKSUJKDBSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898381 175121495 /nfs/dbraw/zinc/12/14/95/175121495.db2.gz ANABROREAMTAEI-HOTGVXAUSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898381 175121496 /nfs/dbraw/zinc/12/14/96/175121496.db2.gz ANABROREAMTAEI-HOTGVXAUSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1c2ccccc2OC[C@@H]1[N@@H+]1CCC[C@@H]1C ZINC000043903873 175122520 /nfs/dbraw/zinc/12/25/20/175122520.db2.gz WBFPHMISZLJFRX-QRTARXTBSA-N 2 2 274.408 2.973 10 0 CFAELP CCC[NH2+][C@H]1c2ccccc2OC[C@@H]1[N@H+]1CCC[C@@H]1C ZINC000043903873 175122521 /nfs/dbraw/zinc/12/25/21/175122521.db2.gz WBFPHMISZLJFRX-QRTARXTBSA-N 2 2 274.408 2.973 10 0 CFAELP CC[NH2+][C@@H](C)[C@@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000043911974 175123631 /nfs/dbraw/zinc/12/36/31/175123631.db2.gz QWSIZXZKUWDYKD-QWHCGFSZSA-N 2 2 250.386 2.514 10 0 CFAELP CC[NH2+][C@@H](C)[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911974 175123634 /nfs/dbraw/zinc/12/36/34/175123634.db2.gz QWSIZXZKUWDYKD-QWHCGFSZSA-N 2 2 250.386 2.514 10 0 CFAELP CC[C@H]1CO[C@@H](C)C[N@@H+]1[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043913743 175124437 /nfs/dbraw/zinc/12/44/37/175124437.db2.gz IGWTUCHHBVFKSE-YHUYYLMFSA-N 2 2 268.445 2.797 10 0 CFAELP CC[C@H]1CO[C@@H](C)C[N@H+]1[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043913743 175124438 /nfs/dbraw/zinc/12/44/38/175124438.db2.gz IGWTUCHHBVFKSE-YHUYYLMFSA-N 2 2 268.445 2.797 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2CCC[C@@H]1[N@H+](C)CCOC ZINC000043915688 175124909 /nfs/dbraw/zinc/12/49/09/175124909.db2.gz WALHODJYFYRJCQ-IRXDYDNUSA-N 2 2 276.424 2.620 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2CCC[C@@H]1[N@@H+](C)CCOC ZINC000043915688 175124910 /nfs/dbraw/zinc/12/49/10/175124910.db2.gz WALHODJYFYRJCQ-IRXDYDNUSA-N 2 2 276.424 2.620 10 0 CFAELP CCC[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+](C)CCOC ZINC000043916263 175125070 /nfs/dbraw/zinc/12/50/70/175125070.db2.gz UJGSNVQUFYAGLI-CABCVRRESA-N 2 2 256.434 2.656 10 0 CFAELP CCC[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+](C)CCOC ZINC000043916263 175125071 /nfs/dbraw/zinc/12/50/71/175125071.db2.gz UJGSNVQUFYAGLI-CABCVRRESA-N 2 2 256.434 2.656 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@H](CC)[N@H+](C)CCOC ZINC000043916087 175125149 /nfs/dbraw/zinc/12/51/49/175125149.db2.gz HKMKFNKGQBPLTR-HOTGVXAUSA-N 2 2 264.413 2.694 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@H](CC)[N@@H+](C)CCOC ZINC000043916087 175125150 /nfs/dbraw/zinc/12/51/50/175125150.db2.gz HKMKFNKGQBPLTR-HOTGVXAUSA-N 2 2 264.413 2.694 10 0 CFAELP C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043965887 175127387 /nfs/dbraw/zinc/12/73/87/175127387.db2.gz YRUTXVPMMCZHLT-XIRDDKMYSA-N 2 2 276.424 2.755 10 0 CFAELP C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043965887 175127389 /nfs/dbraw/zinc/12/73/89/175127389.db2.gz YRUTXVPMMCZHLT-XIRDDKMYSA-N 2 2 276.424 2.755 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@H+](C)C[C@@H]1CCCO1 ZINC000043966138 175127413 /nfs/dbraw/zinc/12/74/13/175127413.db2.gz WHPBDBSPDAGQLC-RRFJBIMHSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966138 175127415 /nfs/dbraw/zinc/12/74/15/175127415.db2.gz WHPBDBSPDAGQLC-RRFJBIMHSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@@H]([NH2+]C)[C@H](CC)[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966463 175127877 /nfs/dbraw/zinc/12/78/77/175127877.db2.gz XNDCSRAPOKGDKM-ZNMIVQPWSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@@H]([NH2+]C)[C@H](CC)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966463 175127878 /nfs/dbraw/zinc/12/78/78/175127878.db2.gz XNDCSRAPOKGDKM-ZNMIVQPWSA-N 2 2 256.434 2.654 10 0 CFAELP CC[N@H+](Cc1ccncc1)[C@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000043968860 175129506 /nfs/dbraw/zinc/12/95/06/175129506.db2.gz BECMEPBZYYSZST-ROUUACIJSA-N 2 2 281.403 2.789 10 0 CFAELP CC[N@@H+](Cc1ccncc1)[C@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000043968860 175129507 /nfs/dbraw/zinc/12/95/07/175129507.db2.gz BECMEPBZYYSZST-ROUUACIJSA-N 2 2 281.403 2.789 10 0 CFAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)[N@H+](CCOC)C1CC1 ZINC000043969729 175130988 /nfs/dbraw/zinc/13/09/88/175130988.db2.gz QZNXXXVMFZUTOR-RHSMWYFYSA-N 2 2 276.424 2.755 10 0 CFAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)[N@@H+](CCOC)C1CC1 ZINC000043969729 175130990 /nfs/dbraw/zinc/13/09/90/175130990.db2.gz QZNXXXVMFZUTOR-RHSMWYFYSA-N 2 2 276.424 2.755 10 0 CFAELP CCC[NH2+][C@H](C[N@H+](CCOC)C1CC1)C(C)(C)C ZINC000043970094 175131339 /nfs/dbraw/zinc/13/13/39/175131339.db2.gz JDYPQWGJQXYNQX-CQSZACIVSA-N 2 2 256.434 2.512 10 0 CFAELP CCC[NH2+][C@H](C[N@@H+](CCOC)C1CC1)C(C)(C)C ZINC000043970094 175131340 /nfs/dbraw/zinc/13/13/40/175131340.db2.gz JDYPQWGJQXYNQX-CQSZACIVSA-N 2 2 256.434 2.512 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043970028 175131443 /nfs/dbraw/zinc/13/14/43/175131443.db2.gz DSDOIEXRHRSPKJ-ZWKOTPCHSA-N 2 2 288.435 2.763 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043970028 175131445 /nfs/dbraw/zinc/13/14/45/175131445.db2.gz DSDOIEXRHRSPKJ-ZWKOTPCHSA-N 2 2 288.435 2.763 10 0 CFAELP CCC[NH2+][C@@H]1c2ccccc2OC[C@H]1n1cc[nH+]c1 ZINC000043992359 175135759 /nfs/dbraw/zinc/13/57/59/175135759.db2.gz GRGNSNITPJEFTO-UKRRQHHQSA-N 2 2 257.337 2.558 10 0 CFAELP C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000043993142 175136621 /nfs/dbraw/zinc/13/66/21/175136621.db2.gz DHGCKDHZEHIZMG-INIZCTEOSA-N 2 2 251.333 2.997 10 0 CFAELP CC[C@@H]([C@H](O)c1ccccc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC000044121248 175142633 /nfs/dbraw/zinc/14/26/33/175142633.db2.gz YTAMNYAPIUWDHY-DLBZAZTESA-N 2 2 276.424 2.525 10 0 CFAELP CC[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000044121248 175142634 /nfs/dbraw/zinc/14/26/34/175142634.db2.gz YTAMNYAPIUWDHY-DLBZAZTESA-N 2 2 276.424 2.525 10 0 CFAELP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000044561437 175204960 /nfs/dbraw/zinc/20/49/60/175204960.db2.gz ZOZOTMUIXAIFCE-UONOGXRCSA-N 2 2 250.386 2.675 10 0 CFAELP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000044561437 175204961 /nfs/dbraw/zinc/20/49/61/175204961.db2.gz ZOZOTMUIXAIFCE-UONOGXRCSA-N 2 2 250.386 2.675 10 0 CFAELP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(C)on2)C1 ZINC000044692684 175233707 /nfs/dbraw/zinc/23/37/07/175233707.db2.gz ZQPMRFYKZAONKT-ZIAGYGMSSA-N 2 2 265.401 2.583 10 0 CFAELP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(C)on2)C1 ZINC000044692684 175233708 /nfs/dbraw/zinc/23/37/08/175233708.db2.gz ZQPMRFYKZAONKT-ZIAGYGMSSA-N 2 2 265.401 2.583 10 0 CFAELP Oc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044747618 175243220 /nfs/dbraw/zinc/24/32/20/175243220.db2.gz OZPGNAHKCKPUPD-GUYCJALGSA-N 2 2 272.392 2.596 10 0 CFAELP Oc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044747618 175243221 /nfs/dbraw/zinc/24/32/21/175243221.db2.gz OZPGNAHKCKPUPD-GUYCJALGSA-N 2 2 272.392 2.596 10 0 CFAELP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000045044628 175295446 /nfs/dbraw/zinc/29/54/46/175295446.db2.gz KSWAFNWAPQRTKZ-KRWDZBQOSA-N 2 2 278.440 2.602 10 0 CFAELP c1cn(CCCC[NH2+][C@@H]2CCOc3ccccc32)c[nH+]1 ZINC000045105574 175307388 /nfs/dbraw/zinc/30/73/88/175307388.db2.gz SIDZIASXKCFZGO-OAHLLOKOSA-N 2 2 271.364 2.777 10 0 CFAELP Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000045170945 175320474 /nfs/dbraw/zinc/32/04/74/175320474.db2.gz GSWRPBOFWUYJKA-GLQYFDAESA-N 2 2 287.411 2.678 10 0 CFAELP CCC[NH2+][C@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(=O)OC ZINC000045367805 175363361 /nfs/dbraw/zinc/36/33/61/175363361.db2.gz QOLXEUSOWWXEGI-GOEBONIOSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[NH2+][C@](C)(CCCC[N@H+]1CCC[C@@H]1C)C(=O)OC ZINC000045367805 175363362 /nfs/dbraw/zinc/36/33/62/175363362.db2.gz QOLXEUSOWWXEGI-GOEBONIOSA-N 2 2 284.444 2.572 10 0 CFAELP COC(=O)[C@](C)(CCC[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C(C)C ZINC000045373648 175365694 /nfs/dbraw/zinc/36/56/94/175365694.db2.gz QHBQLETUHPBMBN-INMHGKMJSA-N 2 2 298.471 2.674 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@@H+]1CCCC[C@@H]1C)[NH2+]C(C)C ZINC000045376171 175366415 /nfs/dbraw/zinc/36/64/15/175366415.db2.gz GDMLJFYRXADCLD-RDJZCZTQSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@H+]1CCCC[C@@H]1C)[NH2+]C(C)C ZINC000045376171 175366416 /nfs/dbraw/zinc/36/64/16/175366416.db2.gz GDMLJFYRXADCLD-RDJZCZTQSA-N 2 2 298.471 2.961 10 0 CFAELP CCC[NH2+][C@@](C)(CCCC[NH+]1CCCCCC1)C(=O)OC ZINC000045377463 175366780 /nfs/dbraw/zinc/36/67/80/175366780.db2.gz BNYLTDGLVPCSLF-KRWDZBQOSA-N 2 2 298.471 2.964 10 0 CFAELP CCC[NH2+][C@@](C)(CCCC[NH+]1CCCCC1)C(=O)OCC ZINC000045378265 175367383 /nfs/dbraw/zinc/36/73/83/175367383.db2.gz UISKYDCEILHSRZ-KRWDZBQOSA-N 2 2 298.471 2.964 10 0 CFAELP CCC[N@H+](CC)CCC[C@@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045387156 175372925 /nfs/dbraw/zinc/37/29/25/175372925.db2.gz ZXIQAMMKDFWUJK-MRXNPFEDSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[N@@H+](CC)CCC[C@@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045387156 175372926 /nfs/dbraw/zinc/37/29/26/175372926.db2.gz ZXIQAMMKDFWUJK-MRXNPFEDSA-N 2 2 284.444 2.572 10 0 CFAELP CCOc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1Cl ZINC000045946353 175387890 /nfs/dbraw/zinc/38/78/90/175387890.db2.gz VEVGGOHGTSFLMB-UHFFFAOYSA-N 2 2 279.771 2.794 10 0 CFAELP CCOc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1Cl ZINC000045946353 175387891 /nfs/dbraw/zinc/38/78/91/175387891.db2.gz VEVGGOHGTSFLMB-UHFFFAOYSA-N 2 2 279.771 2.794 10 0 CFAELP CCc1[nH+]c(-c2ccc(C)cc2)nc(N2CC[C@H]([NH3+])C2)c1C ZINC000073683953 176485802 /nfs/dbraw/zinc/48/58/02/176485802.db2.gz LJZIHYGRGDCZJJ-HNNXBMFYSA-N 2 2 296.418 2.860 10 0 CFAELP COc1ccc(C[N@H+](CC[NH3+])C(C)(C)C)cc1Cl ZINC000076710791 177067824 /nfs/dbraw/zinc/06/78/24/177067824.db2.gz SLOAXPPBCSZVLF-UHFFFAOYSA-N 2 2 270.804 2.908 10 0 CFAELP COc1ccc(C[N@@H+](CC[NH3+])C(C)(C)C)cc1Cl ZINC000076710791 177067825 /nfs/dbraw/zinc/06/78/25/177067825.db2.gz SLOAXPPBCSZVLF-UHFFFAOYSA-N 2 2 270.804 2.908 10 0 CFAELP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000390714594 262244318 /nfs/dbraw/zinc/24/43/18/262244318.db2.gz BUHRZAPFZNQGQL-GDBMZVCRSA-N 2 2 278.440 2.504 10 0 CFAELP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000390714594 262244320 /nfs/dbraw/zinc/24/43/20/262244320.db2.gz BUHRZAPFZNQGQL-GDBMZVCRSA-N 2 2 278.440 2.504 10 0 CFAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000151325012 278263477 /nfs/dbraw/zinc/26/34/77/278263477.db2.gz IUZAPUMKRLBQAS-BBRMVZONSA-N 2 2 296.842 2.837 10 0 CFAELP CC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1cccs1 ZINC000252962373 288059622 /nfs/dbraw/zinc/05/96/22/288059622.db2.gz OYECPAQDDSSDSK-AVGNSLFASA-N 2 2 268.426 2.556 10 0 CFAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000183789295 278975371 /nfs/dbraw/zinc/97/53/71/278975371.db2.gz JBRDHZAZILOKPJ-KGLIPLIRSA-N 2 2 286.460 2.673 10 0 CFAELP CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccc(OC)cc1 ZINC000396702733 281197181 /nfs/dbraw/zinc/19/71/81/281197181.db2.gz UVPINNXGGRJFHT-UHOFOFEASA-N 2 2 262.397 2.876 10 0 CFAELP CCC[C@@H](CC)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000181935126 323834491 /nfs/dbraw/zinc/83/44/91/323834491.db2.gz HTSYLZRSWQJRAM-ZIAGYGMSSA-N 2 2 291.443 2.655 10 0 CFAELP COC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000187755379 324002120 /nfs/dbraw/zinc/00/21/20/324002120.db2.gz AZOJZVWDRVDICR-FUHWJXTLSA-N 2 2 290.451 2.913 10 0 CFAELP COC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000187755379 324002123 /nfs/dbraw/zinc/00/21/23/324002123.db2.gz AZOJZVWDRVDICR-FUHWJXTLSA-N 2 2 290.451 2.913 10 0 CFAELP CCCC1CC[NH+](CCCC[C@@](C)([NH2+]C)C(=O)OC)CC1 ZINC000050905928 519900741 /nfs/dbraw/zinc/90/07/41/519900741.db2.gz YIKILLDAGCOGLS-QGZVFWFLSA-N 2 2 298.471 2.820 10 0 CFAELP CC[C@@H](C[NH2+]C(C)(C)C)[N@H+](C)CCc1ccccn1 ZINC000052423788 522544127 /nfs/dbraw/zinc/54/41/27/522544127.db2.gz YRNMITRYWPTFGQ-HNNXBMFYSA-N 2 2 263.429 2.723 10 0 CFAELP CC[C@@H](C[NH2+]C(C)(C)C)[N@@H+](C)CCc1ccccn1 ZINC000052423788 522544135 /nfs/dbraw/zinc/54/41/35/522544135.db2.gz YRNMITRYWPTFGQ-HNNXBMFYSA-N 2 2 263.429 2.723 10 0 CFAELP CC(C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCOc1ccccc1 ZINC000061815926 519723503 /nfs/dbraw/zinc/72/35/03/519723503.db2.gz QCCVLOUQNCMOKQ-INIZCTEOSA-N 2 2 276.424 2.918 10 0 CFAELP CC(C)[NH2+]C[C@@H]1CCC[N@H+]1CCCOc1ccccc1 ZINC000061815926 519723506 /nfs/dbraw/zinc/72/35/06/519723506.db2.gz QCCVLOUQNCMOKQ-INIZCTEOSA-N 2 2 276.424 2.918 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]Cc1c[nH]c2ccccc12 ZINC000049591367 519793687 /nfs/dbraw/zinc/79/36/87/519793687.db2.gz JEZZHVLMKSCCJP-MRXNPFEDSA-N 2 2 259.397 2.844 10 0 CFAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@H+](C)Cc1ccsc1 ZINC000052457034 519794828 /nfs/dbraw/zinc/79/48/28/519794828.db2.gz YSKAVTJJFUTSJZ-CQSZACIVSA-N 2 2 252.427 2.957 10 0 CFAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@@H+](C)Cc1ccsc1 ZINC000052457034 519794829 /nfs/dbraw/zinc/79/48/29/519794829.db2.gz YSKAVTJJFUTSJZ-CQSZACIVSA-N 2 2 252.427 2.957 10 0 CFAELP CC(C)[C@@H](C[NH2+]C(C)(C)C)[N@H+](C)CCc1ccncc1 ZINC000052483017 519794835 /nfs/dbraw/zinc/79/48/35/519794835.db2.gz PUTFPJYRQIGERG-MRXNPFEDSA-N 2 2 277.456 2.969 10 0 CFAELP CC(C)[C@@H](C[NH2+]C(C)(C)C)[N@@H+](C)CCc1ccncc1 ZINC000052483017 519794836 /nfs/dbraw/zinc/79/48/36/519794836.db2.gz PUTFPJYRQIGERG-MRXNPFEDSA-N 2 2 277.456 2.969 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000049197724 519814362 /nfs/dbraw/zinc/81/43/62/519814362.db2.gz NFVGHHNULDXYJA-IKXAHOJESA-N 2 2 264.457 2.987 10 0 CFAELP CCCC1CC[NH+](CCCC[C@](C)([NH2+]C)C(=O)OC)CC1 ZINC000050905926 519901113 /nfs/dbraw/zinc/90/11/13/519901113.db2.gz YIKILLDAGCOGLS-KRWDZBQOSA-N 2 2 298.471 2.820 10 0 CFAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC[C@@H]1CCCO1 ZINC000054602742 519909580 /nfs/dbraw/zinc/90/95/80/519909580.db2.gz HWMJNFLLLNILJH-UYTSQGDYSA-N 2 2 266.429 2.551 10 0 CFAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC[C@@H]1CCCO1 ZINC000054602742 519909582 /nfs/dbraw/zinc/90/95/82/519909582.db2.gz HWMJNFLLLNILJH-UYTSQGDYSA-N 2 2 266.429 2.551 10 0 CFAELP CC[NH2+]CC1(C[N@H+](C)Cc2ccccc2F)CCOCC1 ZINC000052183394 519911767 /nfs/dbraw/zinc/91/17/67/519911767.db2.gz AYHDRWLTMUSTPC-UHFFFAOYSA-N 2 2 294.414 2.664 10 0 CFAELP CC[NH2+]CC1(C[N@@H+](C)Cc2ccccc2F)CCOCC1 ZINC000052183394 519911770 /nfs/dbraw/zinc/91/17/70/519911770.db2.gz AYHDRWLTMUSTPC-UHFFFAOYSA-N 2 2 294.414 2.664 10 0 CFAELP CC[NH2+]CC(C)(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000054637973 519911799 /nfs/dbraw/zinc/91/17/99/519911799.db2.gz DYBRSJXZAHAWRI-UHFFFAOYSA-N 2 2 250.386 2.885 10 0 CFAELP CC[NH2+]C[C@H](C(C)C)[N@H+](C)Cc1ccc(F)cc1 ZINC000052346088 519957674 /nfs/dbraw/zinc/95/76/74/519957674.db2.gz LKQBPMNNFFLSOO-OAHLLOKOSA-N 2 2 252.377 2.892 10 0 CFAELP CC[NH2+]C[C@H](C(C)C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346088 519957678 /nfs/dbraw/zinc/95/76/78/519957678.db2.gz LKQBPMNNFFLSOO-OAHLLOKOSA-N 2 2 252.377 2.892 10 0 CFAELP CC[NH2+]Cc1c(C)cc(C)[nH+]c1N(C)CC(F)(F)F ZINC000051447871 519983030 /nfs/dbraw/zinc/98/30/30/519983030.db2.gz LAJZQFBLUROBTB-UHFFFAOYSA-N 2 2 275.318 2.806 10 0 CFAELP CC1(C)CC[NH+]([C@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000061818438 520383687 /nfs/dbraw/zinc/38/36/87/520383687.db2.gz GDEYVXYYHABNTL-CQSZACIVSA-N 2 2 250.361 2.948 10 0 CFAELP CC[NH+](CC)Cc1ccccc1NCc1[nH]cc[nH+]1 ZINC000049715265 520760382 /nfs/dbraw/zinc/76/03/82/520760382.db2.gz YVDNFMJJFWAMBW-UHFFFAOYSA-N 2 2 258.369 2.864 10 0 CFAELP CC[N@H+](CC1CC1)[C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000069237312 520964729 /nfs/dbraw/zinc/96/47/29/520964729.db2.gz KATWIRDYVWNQMF-ZDUSSCGKSA-N 2 2 296.798 2.800 10 0 CFAELP CC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000069237312 520964735 /nfs/dbraw/zinc/96/47/35/520964735.db2.gz KATWIRDYVWNQMF-ZDUSSCGKSA-N 2 2 296.798 2.800 10 0 CFAELP CC[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000069237519 520969064 /nfs/dbraw/zinc/96/90/64/520969064.db2.gz UDEUGUPZXLBKHH-HNNXBMFYSA-N 2 2 290.407 2.580 10 0 CFAELP CC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000069237519 520969073 /nfs/dbraw/zinc/96/90/73/520969073.db2.gz UDEUGUPZXLBKHH-HNNXBMFYSA-N 2 2 290.407 2.580 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@@H+]1CCCSCC1 ZINC000052203668 521932846 /nfs/dbraw/zinc/93/28/46/521932846.db2.gz PUCMOVRMWZCDIK-OAHLLOKOSA-N 2 2 264.438 2.688 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@H+]1CCCSCC1 ZINC000052203668 521932855 /nfs/dbraw/zinc/93/28/55/521932855.db2.gz PUCMOVRMWZCDIK-OAHLLOKOSA-N 2 2 264.438 2.688 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[NH+]1CCC(C)(C)CC1 ZINC000061818337 522341573 /nfs/dbraw/zinc/34/15/73/522341573.db2.gz DCNGZIJKDWWYDS-LSDHHAIUSA-N 2 2 261.413 2.982 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)Cc1ccc(C(F)(F)F)cc1 ZINC000050518326 522364119 /nfs/dbraw/zinc/36/41/19/522364119.db2.gz ZYKWATVWMPDHTC-GFCCVEGCSA-N 2 2 283.297 2.802 10 0 CFAELP COc1cc2[nH]c(CC[C@@H]3CCCC[NH2+]3)[nH+]c2cc1OC ZINC000050927014 523064157 /nfs/dbraw/zinc/06/41/57/523064157.db2.gz SYXSQXYRKYYJTD-NSHDSACASA-N 2 2 289.379 2.655 10 0 CFAELP C[N@H+](Cc1ccoc1C[NH2+]C(C)(C)C)C1CC[NH+](C)CC1 ZINC000052419941 523478563 /nfs/dbraw/zinc/47/85/63/523478563.db2.gz CAEKQFOPHWTKEJ-UHFFFAOYSA-N 3 2 293.455 2.694 10 0 CFAELP C[N@@H+](Cc1ccoc1C[NH2+]C(C)(C)C)C1CC[NH+](C)CC1 ZINC000052419941 523478569 /nfs/dbraw/zinc/47/85/69/523478569.db2.gz CAEKQFOPHWTKEJ-UHFFFAOYSA-N 3 2 293.455 2.694 10 0 CFAELP C[N@H+]([C@@H](C[NH2+]C1CC1)c1ccccc1)[C@@H]1CCSC1 ZINC000052453685 523622983 /nfs/dbraw/zinc/62/29/83/523622983.db2.gz LEKVLIAFOIBUIW-CVEARBPZSA-N 2 2 276.449 2.917 10 0 CFAELP C[N@@H+]([C@@H](C[NH2+]C1CC1)c1ccccc1)[C@@H]1CCSC1 ZINC000052453685 523622992 /nfs/dbraw/zinc/62/29/92/523622992.db2.gz LEKVLIAFOIBUIW-CVEARBPZSA-N 2 2 276.449 2.917 10 0 CFAELP COCC[N@H+](CC(C)C)[C@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546432 523681454 /nfs/dbraw/zinc/68/14/54/523681454.db2.gz YSOPZAGZRDYGBZ-MRXNPFEDSA-N 2 2 282.403 2.738 10 0 CFAELP COCC[N@@H+](CC(C)C)[C@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546432 523681457 /nfs/dbraw/zinc/68/14/57/523681457.db2.gz YSOPZAGZRDYGBZ-MRXNPFEDSA-N 2 2 282.403 2.738 10 0 CFAELP CC[C@H](C)C[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596607 523869899 /nfs/dbraw/zinc/86/98/99/523869899.db2.gz HPHTZFAAUXAGJZ-WFASDCNBSA-N 2 2 264.413 2.981 10 0 CFAELP CC[C@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596607 523869907 /nfs/dbraw/zinc/86/99/07/523869907.db2.gz HPHTZFAAUXAGJZ-WFASDCNBSA-N 2 2 264.413 2.981 10 0 CFAELP CC[C@H](C)[NH2+]CC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000049538834 524003538 /nfs/dbraw/zinc/00/35/38/524003538.db2.gz FJIVURZIRGCYCR-UWVGGRQHSA-N 2 2 255.431 2.799 10 0 CFAELP C[C@H]1CCC[C@@](C[NH2+]CCC[NH+]2CCCC2)([NH+](C)C)C1 ZINC000049332640 524170287 /nfs/dbraw/zinc/17/02/87/524170287.db2.gz MNMHDUBUNPFRFQ-DLBZAZTESA-N 3 2 281.488 2.572 10 0 CFAELP C[C@H]1CCC[C@](C[NH2+]CC[C@@H]2CCCC[N@@H+]2C)([NH+](C)C)C1 ZINC000052205807 524223651 /nfs/dbraw/zinc/22/36/51/524223651.db2.gz AWDWVTMSBAZWDL-BZSNNMDCSA-N 3 2 295.515 2.961 10 0 CFAELP C[C@H]1CCC[C@](C[NH2+]CC[C@@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000052205807 524223659 /nfs/dbraw/zinc/22/36/59/524223659.db2.gz AWDWVTMSBAZWDL-BZSNNMDCSA-N 3 2 295.515 2.961 10 0 CFAELP C[C@@H](CC[NH+](C)C)Nc1ccc2[nH+]cccc2c1N ZINC000049555410 524478830 /nfs/dbraw/zinc/47/88/30/524478830.db2.gz PVFZOLGJAODRGP-NSHDSACASA-N 2 2 258.369 2.569 10 0 CFAELP C[C@H]1C[NH+](Cc2ccoc2C[NH2+]C(C)(C)C)C[C@H](C)O1 ZINC000052380915 524640722 /nfs/dbraw/zinc/64/07/22/524640722.db2.gz NANWGFIAXIDXEZ-STQMWFEESA-N 2 2 280.412 2.777 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)C2CCCC2)cc1C ZINC000050596550 525180178 /nfs/dbraw/zinc/18/01/78/525180178.db2.gz UVBYWIMPACQOMS-OAHLLOKOSA-N 2 2 262.397 2.878 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)C2CCCC2)cc1C ZINC000050596550 525180182 /nfs/dbraw/zinc/18/01/82/525180182.db2.gz UVBYWIMPACQOMS-OAHLLOKOSA-N 2 2 262.397 2.878 10 0 CFAELP Cc1cc([C@@H](C[NH3+])[N@H+](C)CCc2ccccn2)ccc1F ZINC000050545933 525481863 /nfs/dbraw/zinc/48/18/63/525481863.db2.gz QPJLFBVCTKGAGC-QGZVFWFLSA-N 2 2 287.382 2.703 10 0 CFAELP Cc1cc([C@@H](C[NH3+])[N@@H+](C)CCc2ccccn2)ccc1F ZINC000050545933 525481868 /nfs/dbraw/zinc/48/18/68/525481868.db2.gz QPJLFBVCTKGAGC-QGZVFWFLSA-N 2 2 287.382 2.703 10 0 CFAELP COc1ccc2cc(C[N@@H+]3CCC[C@@H]3C[NH3+])ccc2c1 ZINC000156042289 525629661 /nfs/dbraw/zinc/62/96/61/525629661.db2.gz KRKAHLMEYMJEIL-MRXNPFEDSA-N 2 2 270.376 2.772 10 0 CFAELP COc1ccc2cc(C[N@H+]3CCC[C@@H]3C[NH3+])ccc2c1 ZINC000156042289 525629667 /nfs/dbraw/zinc/62/96/67/525629667.db2.gz KRKAHLMEYMJEIL-MRXNPFEDSA-N 2 2 270.376 2.772 10 0 CFAELP CSCc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)o1 ZINC000049554398 525730021 /nfs/dbraw/zinc/73/00/21/525730021.db2.gz GAPOUENWOCFTBJ-LLVKDONJSA-N 2 2 256.415 2.572 10 0 CFAELP COc1cccc(N(CCC[NH3+])c2[nH+]cccc2C)c1 ZINC000051040723 526136817 /nfs/dbraw/zinc/13/68/17/526136817.db2.gz CSSFRYPXKVJKTH-UHFFFAOYSA-N 2 2 271.364 2.886 10 0 CFAELP Cc1ccc2c(c1)[nH+]c(CCC1CC[NH2+]CC1)n2C ZINC000050926803 526218718 /nfs/dbraw/zinc/21/87/18/526218718.db2.gz PIGIZZFZWFOWHK-UHFFFAOYSA-N 2 2 257.381 2.814 10 0 CFAELP c1ccc(OCCC[N@@H+]2CCC[C@H]2C[NH2+]C2CC2)cc1 ZINC000061815929 526485535 /nfs/dbraw/zinc/48/55/35/526485535.db2.gz KRPDZJDUSMTRGH-INIZCTEOSA-N 2 2 274.408 2.672 10 0 CFAELP c1ccc(OCCC[N@H+]2CCC[C@H]2C[NH2+]C2CC2)cc1 ZINC000061815929 526485538 /nfs/dbraw/zinc/48/55/38/526485538.db2.gz KRPDZJDUSMTRGH-INIZCTEOSA-N 2 2 274.408 2.672 10 0 CFAELP [NH3+]Cc1nc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)cs1 ZINC000052482312 527266194 /nfs/dbraw/zinc/26/61/94/527266194.db2.gz COZXHOQFTXTYIO-NWDGAFQWSA-N 2 2 265.426 2.614 10 0 CFAELP [NH3+]Cc1nc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)cs1 ZINC000052482312 527266200 /nfs/dbraw/zinc/26/62/00/527266200.db2.gz COZXHOQFTXTYIO-NWDGAFQWSA-N 2 2 265.426 2.614 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+]Cc1csc2ccccc12 ZINC000054463566 527429690 /nfs/dbraw/zinc/42/96/90/527429690.db2.gz IGPWATDPVZMHOD-UHFFFAOYSA-N 2 2 271.389 2.967 10 0 CFAELP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000151285546 529174089 /nfs/dbraw/zinc/17/40/89/529174089.db2.gz JZRYCJQUZZIGQE-ZIAGYGMSSA-N 2 2 282.453 2.636 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1F ZINC000134098900 646281326 /nfs/dbraw/zinc/28/13/26/646281326.db2.gz YXSWBIRMBLFCSL-VNHYZAJKSA-N 2 2 280.387 2.552 10 0 CFAELP CCCc1nc(C[NH+](C)C)sc1C[NH2+]C(C)C ZINC000082428592 178004306 /nfs/dbraw/zinc/00/43/06/178004306.db2.gz KFDCJWVAEYTSCO-UHFFFAOYSA-N 2 2 255.431 2.655 10 0 CFAELP CC[NH2+]Cc1sc(C[NH+](C)C)nc1C(C)(C)C ZINC000082442995 178021874 /nfs/dbraw/zinc/02/18/74/178021874.db2.gz NNZQNIWDPOTOLO-UHFFFAOYSA-N 2 2 255.431 2.612 10 0 CFAELP COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2[NH3+])cc1 ZINC000118648867 539481160 /nfs/dbraw/zinc/48/11/60/539481160.db2.gz YKRVJJLOBWHORJ-ROUUACIJSA-N 2 2 282.387 2.622 10 0 CFAELP COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2[NH3+])cc1 ZINC000118648867 539481165 /nfs/dbraw/zinc/48/11/65/539481165.db2.gz YKRVJJLOBWHORJ-ROUUACIJSA-N 2 2 282.387 2.622 10 0 CFAELP COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188397745 539509086 /nfs/dbraw/zinc/50/90/86/539509086.db2.gz MFQNPXIHBSZAKB-OAHLLOKOSA-N 2 2 271.364 2.556 10 0 CFAELP COc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188397745 539509090 /nfs/dbraw/zinc/50/90/90/539509090.db2.gz MFQNPXIHBSZAKB-OAHLLOKOSA-N 2 2 271.364 2.556 10 0 CFAELP CC[N@H+](CCCC[C@](C)([NH3+])CO)c1ccc(C)cc1 ZINC000085214542 178978876 /nfs/dbraw/zinc/97/88/76/178978876.db2.gz LXXNCPWERDEHIO-INIZCTEOSA-N 2 2 264.413 2.701 10 0 CFAELP CC[N@@H+](CCCC[C@](C)([NH3+])CO)c1ccc(C)cc1 ZINC000085214542 178978878 /nfs/dbraw/zinc/97/88/78/178978878.db2.gz LXXNCPWERDEHIO-INIZCTEOSA-N 2 2 264.413 2.701 10 0 CFAELP CC(C)C[C@](C)(C[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019807971 136578662 /nfs/dbraw/zinc/57/86/62/136578662.db2.gz YVEZAQLNMWMCFB-QGZVFWFLSA-N 2 2 293.430 2.711 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CCC(C[NH3+])CC1 ZINC000063106335 346696131 /nfs/dbraw/zinc/69/61/31/346696131.db2.gz UXHMKTFOUMFIMC-UHFFFAOYSA-N 2 2 255.365 2.718 10 0 CFAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccnc2ccccc12 ZINC000111763498 347756378 /nfs/dbraw/zinc/75/63/78/347756378.db2.gz QYBMJHVACNCXTG-ZDUSSCGKSA-N 2 2 266.348 2.610 10 0 CFAELP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000226225501 348181853 /nfs/dbraw/zinc/18/18/53/348181853.db2.gz TXUMBVRYWZQCFQ-KZNAEPCWSA-N 2 2 290.451 2.963 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC000389231204 348540230 /nfs/dbraw/zinc/54/02/30/348540230.db2.gz INGNRRCWOGARKM-ZIAGYGMSSA-N 2 2 262.397 2.748 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC000389231204 348540235 /nfs/dbraw/zinc/54/02/35/348540235.db2.gz INGNRRCWOGARKM-ZIAGYGMSSA-N 2 2 262.397 2.748 10 0 CFAELP C[C@H]([N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC000588687698 348791875 /nfs/dbraw/zinc/79/18/75/348791875.db2.gz OBALMXMVJISLFA-DOTOQJQBSA-N 2 2 292.467 2.846 10 0 CFAELP C[C@H]([N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC000588687698 348791878 /nfs/dbraw/zinc/79/18/78/348791878.db2.gz OBALMXMVJISLFA-DOTOQJQBSA-N 2 2 292.467 2.846 10 0 CFAELP C[C@H]([NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000588687698 348791880 /nfs/dbraw/zinc/79/18/80/348791880.db2.gz OBALMXMVJISLFA-DOTOQJQBSA-N 2 2 292.467 2.846 10 0 CFAELP C[C@H]([NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000588687698 348791884 /nfs/dbraw/zinc/79/18/84/348791884.db2.gz OBALMXMVJISLFA-DOTOQJQBSA-N 2 2 292.467 2.846 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000122854329 187056167 /nfs/dbraw/zinc/05/61/67/187056167.db2.gz ALADMNUFGYZNBE-LBPRGKRZSA-N 2 2 276.409 2.739 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000122854329 187056168 /nfs/dbraw/zinc/05/61/68/187056168.db2.gz ALADMNUFGYZNBE-LBPRGKRZSA-N 2 2 276.409 2.739 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000122932148 187060391 /nfs/dbraw/zinc/06/03/91/187060391.db2.gz IYFBMKMKCUPELH-OAHLLOKOSA-N 2 2 285.391 2.988 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000122932148 187060392 /nfs/dbraw/zinc/06/03/92/187060392.db2.gz IYFBMKMKCUPELH-OAHLLOKOSA-N 2 2 285.391 2.988 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1ccnc2ccccc21 ZINC000616625265 352388743 /nfs/dbraw/zinc/38/87/43/352388743.db2.gz ITSXISJUOCKMFV-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1ccnc2ccccc21 ZINC000616625265 352388745 /nfs/dbraw/zinc/38/87/45/352388745.db2.gz ITSXISJUOCKMFV-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1nccc2ccccc21 ZINC000616625256 352388849 /nfs/dbraw/zinc/38/88/49/352388849.db2.gz IMWQRRIUSBWOCN-OAHLLOKOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1nccc2ccccc21 ZINC000616625256 352388852 /nfs/dbraw/zinc/38/88/52/352388852.db2.gz IMWQRRIUSBWOCN-OAHLLOKOSA-N 2 2 255.365 2.721 10 0 CFAELP CCOC(=O)c1ccc([C@@H]2CCCCC[N@@H+]2CC[NH3+])cc1 ZINC000616625639 352389160 /nfs/dbraw/zinc/38/91/60/352389160.db2.gz RWBZHJUQVRPRFB-INIZCTEOSA-N 2 2 290.407 2.739 10 0 CFAELP CCOC(=O)c1ccc([C@@H]2CCCCC[N@H+]2CC[NH3+])cc1 ZINC000616625639 352389164 /nfs/dbraw/zinc/38/91/64/352389164.db2.gz RWBZHJUQVRPRFB-INIZCTEOSA-N 2 2 290.407 2.739 10 0 CFAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cnc3ccccc3c2)CC1 ZINC000616627290 352389729 /nfs/dbraw/zinc/38/97/29/352389729.db2.gz GSGSVJPSOFCPDH-CQSZACIVSA-N 2 2 269.392 2.763 10 0 CFAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cnc3ccccc3c2)CC1 ZINC000616627290 352389735 /nfs/dbraw/zinc/38/97/35/352389735.db2.gz GSGSVJPSOFCPDH-CQSZACIVSA-N 2 2 269.392 2.763 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623887171 353749113 /nfs/dbraw/zinc/74/91/13/353749113.db2.gz WPHXGIQQKJBSMB-KFWWJZLASA-N 2 2 256.434 2.510 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000630552626 355111064 /nfs/dbraw/zinc/11/10/64/355111064.db2.gz FPGJDCDIAGFKLO-GXTWGEPZSA-N 2 2 255.365 2.574 10 0 CFAELP CCC[N@H+](CCOc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000071331842 283266316 /nfs/dbraw/zinc/26/63/16/283266316.db2.gz RCPAIANFVCHQAW-CQSZACIVSA-N 2 2 282.815 2.793 10 0 CFAELP CCC[N@@H+](CCOc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000071331842 283266319 /nfs/dbraw/zinc/26/63/19/283266319.db2.gz RCPAIANFVCHQAW-CQSZACIVSA-N 2 2 282.815 2.793 10 0 CFAELP COc1ccccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180130788 189238364 /nfs/dbraw/zinc/23/83/64/189238364.db2.gz PXEJZFSPSGFVSG-INIZCTEOSA-N 2 2 285.391 2.865 10 0 CFAELP COc1ccccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180130788 189238365 /nfs/dbraw/zinc/23/83/65/189238365.db2.gz PXEJZFSPSGFVSG-INIZCTEOSA-N 2 2 285.391 2.865 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc2nccn21 ZINC000180614664 189265809 /nfs/dbraw/zinc/26/58/09/189265809.db2.gz UPPUJQLGYJPBAZ-OAHLLOKOSA-N 2 2 295.390 2.504 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc2nccn21 ZINC000180614664 189265810 /nfs/dbraw/zinc/26/58/10/189265810.db2.gz UPPUJQLGYJPBAZ-OAHLLOKOSA-N 2 2 295.390 2.504 10 0 CFAELP CCCOc1cccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000052921805 373459277 /nfs/dbraw/zinc/45/92/77/373459277.db2.gz YDHMABXHGSHZMM-OAHLLOKOSA-N 2 2 262.397 2.789 10 0 CFAELP CCCOc1cccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000052921805 373459287 /nfs/dbraw/zinc/45/92/87/373459287.db2.gz YDHMABXHGSHZMM-OAHLLOKOSA-N 2 2 262.397 2.789 10 0 CFAELP CCCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccc(C)cc2)[nH+]1 ZINC000070455791 374179073 /nfs/dbraw/zinc/17/90/73/374179073.db2.gz MLKLPICZTRXYML-HNNXBMFYSA-N 2 2 296.418 2.942 10 0 CFAELP CCCc1cc(N2CCC(C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000070456175 374179846 /nfs/dbraw/zinc/17/98/46/374179846.db2.gz YFCYQWGAEBIQEQ-UHFFFAOYSA-N 2 2 276.428 2.728 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOC(C)C)C1 ZINC000105896885 375792564 /nfs/dbraw/zinc/79/25/64/375792564.db2.gz IVKLOIMNNXZWAJ-CQSZACIVSA-N 2 2 265.401 2.507 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOC(C)C)C1 ZINC000105896885 375792568 /nfs/dbraw/zinc/79/25/68/375792568.db2.gz IVKLOIMNNXZWAJ-CQSZACIVSA-N 2 2 265.401 2.507 10 0 CFAELP O[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000135631469 378151166 /nfs/dbraw/zinc/15/11/66/378151166.db2.gz UPJSNJWMUGZVKU-DLBZAZTESA-N 2 2 285.391 2.656 10 0 CFAELP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000151245673 378310615 /nfs/dbraw/zinc/31/06/15/378310615.db2.gz KQEGVRFREICKFA-UONOGXRCSA-N 2 2 282.453 2.554 10 0 CFAELP Clc1sccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000335653660 379668562 /nfs/dbraw/zinc/66/85/62/379668562.db2.gz DAIVHKXSNPHVOS-ZACCUICWSA-N 2 2 256.802 2.774 10 0 CFAELP c1csc([C@H]2CCCC[N@H+]2C[C@H]2CCC[NH2+]C2)n1 ZINC000335866110 380018752 /nfs/dbraw/zinc/01/87/52/380018752.db2.gz ZEANKGWJQUAFTL-QWHCGFSZSA-N 2 2 265.426 2.670 10 0 CFAELP c1csc([C@H]2CCCC[N@@H+]2C[C@H]2CCC[NH2+]C2)n1 ZINC000335866110 380018760 /nfs/dbraw/zinc/01/87/60/380018760.db2.gz ZEANKGWJQUAFTL-QWHCGFSZSA-N 2 2 265.426 2.670 10 0 CFAELP C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400325941 380854272 /nfs/dbraw/zinc/85/42/72/380854272.db2.gz AILFZGHQMTVYAB-YSVLISHTSA-N 2 2 270.376 2.957 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1F ZINC000400401468 380858995 /nfs/dbraw/zinc/85/89/95/380858995.db2.gz QAHMDOVGWULCQF-ZOWXZIJZSA-N 2 2 250.361 2.925 10 0 CFAELP c1ccc2c(c1)cc[nH+]c2N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312641102 382516095 /nfs/dbraw/zinc/51/60/95/382516095.db2.gz DBGCRJHBKOCJOS-GASCZTMLSA-N 2 2 267.376 2.671 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000189218174 382567997 /nfs/dbraw/zinc/56/79/97/382567997.db2.gz RVILXKAPNBRLMG-CABCVRRESA-N 2 2 277.412 2.652 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000189218174 382568001 /nfs/dbraw/zinc/56/80/01/382568001.db2.gz RVILXKAPNBRLMG-CABCVRRESA-N 2 2 277.412 2.652 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2cccc(C)c2)C1 ZINC000389194019 382612480 /nfs/dbraw/zinc/61/24/80/382612480.db2.gz WLKOVTOMPNSQPH-WBVHZDCISA-N 2 2 260.425 3.000 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2cccc(C)c2)C1 ZINC000389194019 382612484 /nfs/dbraw/zinc/61/24/84/382612484.db2.gz WLKOVTOMPNSQPH-WBVHZDCISA-N 2 2 260.425 3.000 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000389230469 382613605 /nfs/dbraw/zinc/61/36/05/382613605.db2.gz IKEDWNHQOXRHNS-ROKHWSDSSA-N 2 2 262.372 2.756 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000389230469 382613608 /nfs/dbraw/zinc/61/36/08/382613608.db2.gz IKEDWNHQOXRHNS-ROKHWSDSSA-N 2 2 262.372 2.756 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000389549884 382615098 /nfs/dbraw/zinc/61/50/98/382615098.db2.gz ODWBZZQMDZTVIJ-DYVFJYSZSA-N 2 2 258.409 2.920 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000389549884 382615099 /nfs/dbraw/zinc/61/50/99/382615099.db2.gz ODWBZZQMDZTVIJ-DYVFJYSZSA-N 2 2 258.409 2.920 10 0 CFAELP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390659214 382618645 /nfs/dbraw/zinc/61/86/45/382618645.db2.gz LCWLMKRMTRWPLZ-IAGOWNOFSA-N 2 2 290.451 2.648 10 0 CFAELP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390659214 382618647 /nfs/dbraw/zinc/61/86/47/382618647.db2.gz LCWLMKRMTRWPLZ-IAGOWNOFSA-N 2 2 290.451 2.648 10 0 CFAELP Cc1cncc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000189896047 382644301 /nfs/dbraw/zinc/64/43/01/382644301.db2.gz SEUXPUATVMRAMM-OAHLLOKOSA-N 2 2 282.391 2.719 10 0 CFAELP CN(c1cc(C(F)(F)F)cc[nH+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000090803812 184617476 /nfs/dbraw/zinc/61/74/76/184617476.db2.gz YAMQARLUXVAJJA-FOSCPWQOSA-N 2 2 285.313 2.820 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCCN1c1[nH+]c2ccccc2n1C ZINC000192739815 382711623 /nfs/dbraw/zinc/71/16/23/382711623.db2.gz QBXQKZBJKHCUBJ-CQSZACIVSA-N 2 2 295.390 2.747 10 0 CFAELP CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000224115910 382809573 /nfs/dbraw/zinc/80/95/73/382809573.db2.gz LGONFASPXPZBFD-SLEUVZQESA-N 2 2 278.444 2.653 10 0 CFAELP CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000224115910 382809576 /nfs/dbraw/zinc/80/95/76/382809576.db2.gz LGONFASPXPZBFD-SLEUVZQESA-N 2 2 278.444 2.653 10 0 CFAELP C[N@H+](Cc1cc(-c2ccco2)on1)[C@@H]1CCC[NH2+]CC1 ZINC000231668229 382865953 /nfs/dbraw/zinc/86/59/53/382865953.db2.gz IPLJXSGSPXHHNW-CYBMUJFWSA-N 2 2 275.352 2.509 10 0 CFAELP C[N@@H+](Cc1cc(-c2ccco2)on1)[C@@H]1CCC[NH2+]CC1 ZINC000231668229 382865954 /nfs/dbraw/zinc/86/59/54/382865954.db2.gz IPLJXSGSPXHHNW-CYBMUJFWSA-N 2 2 275.352 2.509 10 0 CFAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH+]c2c(C)cccn12 ZINC000248402426 383236434 /nfs/dbraw/zinc/23/64/34/383236434.db2.gz VBIJLWXNIRUZCM-HOTGVXAUSA-N 2 2 298.434 2.701 10 0 CFAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH+]c2c(C)cccn12 ZINC000248402426 383236438 /nfs/dbraw/zinc/23/64/38/383236438.db2.gz VBIJLWXNIRUZCM-HOTGVXAUSA-N 2 2 298.434 2.701 10 0 CFAELP C[C@@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)C[C@@H]1[NH3+] ZINC000262006858 383593648 /nfs/dbraw/zinc/59/36/48/383593648.db2.gz LXUADTPXOXVAIV-CJNGLKHVSA-N 2 2 267.376 2.528 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)C[C@@H]1[NH3+] ZINC000262006858 383593652 /nfs/dbraw/zinc/59/36/52/383593652.db2.gz LXUADTPXOXVAIV-CJNGLKHVSA-N 2 2 267.376 2.528 10 0 CFAELP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3F)o2)C[C@@H]1[NH3+] ZINC000262104865 383604845 /nfs/dbraw/zinc/60/48/45/383604845.db2.gz VWAZSUDQOLPXQW-NHYWBVRUSA-N 2 2 274.339 2.865 10 0 CFAELP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)o2)C[C@@H]1[NH3+] ZINC000262104865 383604850 /nfs/dbraw/zinc/60/48/50/383604850.db2.gz VWAZSUDQOLPXQW-NHYWBVRUSA-N 2 2 274.339 2.865 10 0 CFAELP Cc1cc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc(C)c1OC(F)F ZINC000262098570 383605028 /nfs/dbraw/zinc/60/50/28/383605028.db2.gz VJMOTXLPXGCJAG-AAEUAGOBSA-N 2 2 284.350 2.684 10 0 CFAELP Cc1cc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc(C)c1OC(F)F ZINC000262098570 383605032 /nfs/dbraw/zinc/60/50/32/383605032.db2.gz VJMOTXLPXGCJAG-AAEUAGOBSA-N 2 2 284.350 2.684 10 0 CFAELP C[C@H](C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000262139566 383608291 /nfs/dbraw/zinc/60/82/91/383608291.db2.gz YYXACHOCGNOXJV-UHIISALHSA-N 2 2 252.789 2.723 10 0 CFAELP C[C@H](C[N@H+]1C[C@H](C)[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000262139566 383608296 /nfs/dbraw/zinc/60/82/96/383608296.db2.gz YYXACHOCGNOXJV-UHIISALHSA-N 2 2 252.789 2.723 10 0 CFAELP C[N@H+](Cc1ccsc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000261755509 383553687 /nfs/dbraw/zinc/55/36/87/383553687.db2.gz CMCOTYOOIVIJHK-NSHDSACASA-N 2 2 258.818 2.975 10 0 CFAELP C[N@@H+](Cc1ccsc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000261755509 383553693 /nfs/dbraw/zinc/55/36/93/383553693.db2.gz CMCOTYOOIVIJHK-NSHDSACASA-N 2 2 258.818 2.975 10 0 CFAELP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC(C)(C)O ZINC000274355356 385774414 /nfs/dbraw/zinc/77/44/14/385774414.db2.gz FCFIEUZDGFSJFC-MRXNPFEDSA-N 2 2 278.440 2.504 10 0 CFAELP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC(C)(C)O ZINC000274355356 385774420 /nfs/dbraw/zinc/77/44/20/385774420.db2.gz FCFIEUZDGFSJFC-MRXNPFEDSA-N 2 2 278.440 2.504 10 0 CFAELP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000253193090 131141199 /nfs/dbraw/zinc/14/11/99/131141199.db2.gz OBRSZQNUMCYCBS-OIISXLGYSA-N 2 2 258.409 2.549 10 0 CFAELP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000253193090 131141200 /nfs/dbraw/zinc/14/12/00/131141200.db2.gz OBRSZQNUMCYCBS-OIISXLGYSA-N 2 2 258.409 2.549 10 0 CFAELP CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ccc([NH+](C)C)cc1 ZINC000083449856 135022393 /nfs/dbraw/zinc/02/23/93/135022393.db2.gz XIGDQJKYGHWDOS-UONOGXRCSA-N 2 2 261.413 2.719 10 0 CFAELP Cc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)c[nH+]1 ZINC000083449899 135022547 /nfs/dbraw/zinc/02/25/47/135022547.db2.gz JLJSZFQQPDBGOW-JKSUJKDBSA-N 2 2 261.413 2.849 10 0 CFAELP Cc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)c[nH+]1 ZINC000083449897 135022610 /nfs/dbraw/zinc/02/26/10/135022610.db2.gz JLJSZFQQPDBGOW-HZPDHXFCSA-N 2 2 261.413 2.849 10 0 CFAELP Fc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000177101248 542998525 /nfs/dbraw/zinc/99/85/25/542998525.db2.gz SYAUBSUNKAEXFP-HNNXBMFYSA-N 2 2 259.328 2.687 10 0 CFAELP Fc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000177101248 542998528 /nfs/dbraw/zinc/99/85/28/542998528.db2.gz SYAUBSUNKAEXFP-HNNXBMFYSA-N 2 2 259.328 2.687 10 0 CFAELP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CC[C@@H]3CCCO3)C2)cc1 ZINC000038096041 543033890 /nfs/dbraw/zinc/03/38/90/543033890.db2.gz ZMUJCBBZEBNJFM-ROUUACIJSA-N 2 2 288.435 2.810 10 0 CFAELP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC[C@@H]3CCCO3)C2)cc1 ZINC000038096041 543033891 /nfs/dbraw/zinc/03/38/91/543033891.db2.gz ZMUJCBBZEBNJFM-ROUUACIJSA-N 2 2 288.435 2.810 10 0 CFAELP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)n1C ZINC000657285504 413395691 /nfs/dbraw/zinc/39/56/91/413395691.db2.gz DTWBPJYXTCHWJM-SECBINFHSA-N 2 2 265.307 2.858 10 0 CFAELP CCCOc1cccc([C@@H](C[NH3+])[N@H+](C)CCC)c1 ZINC000020226614 171092157 /nfs/dbraw/zinc/09/21/57/171092157.db2.gz CCOSFHNBOZEJOY-OAHLLOKOSA-N 2 2 250.386 2.817 10 0 CFAELP CCCOc1cccc([C@@H](C[NH3+])[N@@H+](C)CCC)c1 ZINC000020226614 171092159 /nfs/dbraw/zinc/09/21/59/171092159.db2.gz CCOSFHNBOZEJOY-OAHLLOKOSA-N 2 2 250.386 2.817 10 0 CFAELP COc1ccc([C@H](C[NH3+])[NH+]2CCCCCCC2)cc1 ZINC000020265264 171122877 /nfs/dbraw/zinc/12/28/77/171122877.db2.gz QLYHOTVOTWDCFT-INIZCTEOSA-N 2 2 262.397 2.961 10 0 CFAELP COC(C)(C)C[C@@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000020524765 171237591 /nfs/dbraw/zinc/23/75/91/171237591.db2.gz HCPBIHMNAMYMBJ-ZIAGYGMSSA-N 2 2 258.450 2.756 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022210128 171373085 /nfs/dbraw/zinc/37/30/85/171373085.db2.gz VSTIECHUWGIMER-DVOMOZLQSA-N 2 2 262.397 2.673 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022210128 171373086 /nfs/dbraw/zinc/37/30/86/171373086.db2.gz VSTIECHUWGIMER-DVOMOZLQSA-N 2 2 262.397 2.673 10 0 CFAELP Cc1[nH]c(CN[C@@H](C)C[N@H+](C)Cc2ccccc2)[nH+]c1C ZINC000657429391 413595070 /nfs/dbraw/zinc/59/50/70/413595070.db2.gz SKRDPVCZZOGPEZ-ZDUSSCGKSA-N 2 2 286.423 2.637 10 0 CFAELP Cc1[nH]c(CN[C@@H](C)C[N@@H+](C)Cc2ccccc2)[nH+]c1C ZINC000657429391 413595080 /nfs/dbraw/zinc/59/50/80/413595080.db2.gz SKRDPVCZZOGPEZ-ZDUSSCGKSA-N 2 2 286.423 2.637 10 0 CFAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)cc1C ZINC000037180087 173012906 /nfs/dbraw/zinc/01/29/06/173012906.db2.gz JRLSRODZKRGMJM-HUUCEWRRSA-N 2 2 264.438 2.741 10 0 CFAELP Cc1ccc([C@@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)cc1C ZINC000037180087 173012909 /nfs/dbraw/zinc/01/29/09/173012909.db2.gz JRLSRODZKRGMJM-HUUCEWRRSA-N 2 2 264.438 2.741 10 0 CFAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000037325612 173126690 /nfs/dbraw/zinc/12/66/90/173126690.db2.gz UCDRNPMIJMGFRK-CYBMUJFWSA-N 2 2 264.369 2.537 10 0 CFAELP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000037490208 173231347 /nfs/dbraw/zinc/23/13/47/173231347.db2.gz UABVWMPVGUXICR-BBWFWOEESA-N 2 2 276.424 2.573 10 0 CFAELP CC[NH+]1CCC([C@H](C)[NH2+]C[C@H](C)[NH+]2CCCCC2)CC1 ZINC000038028855 174018756 /nfs/dbraw/zinc/01/87/56/174018756.db2.gz BFGMMWABBGFTKK-HOTGVXAUSA-N 3 2 281.488 2.571 10 0 CFAELP CC[N@H+](Cc1nc2ccccc2s1)C1CC[NH2+]CC1 ZINC000038090496 174103632 /nfs/dbraw/zinc/10/36/32/174103632.db2.gz QLZJCPTUUKJUEW-UHFFFAOYSA-N 2 2 275.421 2.870 10 0 CFAELP CC[N@@H+](Cc1nc2ccccc2s1)C1CC[NH2+]CC1 ZINC000038090496 174103633 /nfs/dbraw/zinc/10/36/33/174103633.db2.gz QLZJCPTUUKJUEW-UHFFFAOYSA-N 2 2 275.421 2.870 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[NH+]2CCCCCC2)c(OC)c1 ZINC000038827569 174156278 /nfs/dbraw/zinc/15/62/78/174156278.db2.gz RHQGVHFLVCMLFW-OAHLLOKOSA-N 2 2 278.396 2.580 10 0 CFAELP CCC[NH+](CCC)[C@H](C[NH3+])c1cc(OC)ccc1OC ZINC000038827639 174156950 /nfs/dbraw/zinc/15/69/50/174156950.db2.gz XFEIAWLUROWROA-OAHLLOKOSA-N 2 2 280.412 2.826 10 0 CFAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000038860023 174158057 /nfs/dbraw/zinc/15/80/57/174158057.db2.gz IICFCWNGBOTEAV-HNNXBMFYSA-N 2 2 250.386 2.817 10 0 CFAELP CCOCCn1c(CCCCC[NH3+])[nH+]c2ccccc21 ZINC000040163853 174196761 /nfs/dbraw/zinc/19/67/61/174196761.db2.gz AKYABVBJPOOENF-UHFFFAOYSA-N 2 2 275.396 2.744 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000040502215 174298049 /nfs/dbraw/zinc/29/80/49/174298049.db2.gz WZTQBOCMYMDUQZ-ZFWWWQNUSA-N 2 2 262.397 2.830 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000040502215 174298050 /nfs/dbraw/zinc/29/80/50/174298050.db2.gz WZTQBOCMYMDUQZ-ZFWWWQNUSA-N 2 2 262.397 2.830 10 0 CFAELP Cc1nc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cs1 ZINC000040622864 174356045 /nfs/dbraw/zinc/35/60/45/174356045.db2.gz LDYRPKLOJMFKGW-DGCLKSJQSA-N 2 2 267.442 2.832 10 0 CFAELP Cc1nc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cs1 ZINC000040622864 174356046 /nfs/dbraw/zinc/35/60/46/174356046.db2.gz LDYRPKLOJMFKGW-DGCLKSJQSA-N 2 2 267.442 2.832 10 0 CFAELP Cc1ccc(C)c([C@@H](C)[NH2+]CCc2[nH+]ccn2C)c1 ZINC000040638778 174363005 /nfs/dbraw/zinc/36/30/05/174363005.db2.gz PTDUNISMRMNYSD-CQSZACIVSA-N 2 2 257.381 2.930 10 0 CFAELP CCc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2C)cc1 ZINC000040638868 174363175 /nfs/dbraw/zinc/36/31/75/174363175.db2.gz BHOYXUUCMKONLN-ZDUSSCGKSA-N 2 2 257.381 2.876 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000040639196 174363928 /nfs/dbraw/zinc/36/39/28/174363928.db2.gz WHXGUUPOGURUNB-RRFJBIMHSA-N 2 2 261.413 2.911 10 0 CFAELP COc1ccc(CC[C@H](C)[NH2+]CCc2[nH+]ccn2C)cc1 ZINC000040639127 174363931 /nfs/dbraw/zinc/36/39/31/174363931.db2.gz XIUCKFJXYYOABI-AWEZNQCLSA-N 2 2 287.407 2.582 10 0 CFAELP CC(C)Oc1cccc([C@@H](C[NH3+])[N@H+](C)C(C)C)c1 ZINC000040640908 174364246 /nfs/dbraw/zinc/36/42/46/174364246.db2.gz FIIPUZMQQVZLRM-OAHLLOKOSA-N 2 2 250.386 2.814 10 0 CFAELP CC(C)Oc1cccc([C@@H](C[NH3+])[N@@H+](C)C(C)C)c1 ZINC000040640908 174364248 /nfs/dbraw/zinc/36/42/48/174364248.db2.gz FIIPUZMQQVZLRM-OAHLLOKOSA-N 2 2 250.386 2.814 10 0 CFAELP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000040673093 174370975 /nfs/dbraw/zinc/37/09/75/174370975.db2.gz ILGBOGXNEKGILO-HUUCEWRRSA-N 2 2 261.413 2.752 10 0 CFAELP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000040673093 174370976 /nfs/dbraw/zinc/37/09/76/174370976.db2.gz ILGBOGXNEKGILO-HUUCEWRRSA-N 2 2 261.413 2.752 10 0 CFAELP COCc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)ccc1OC ZINC000040672749 174371142 /nfs/dbraw/zinc/37/11/42/174371142.db2.gz ODAVVODLPKJCBH-BBRMVZONSA-N 2 2 292.423 2.586 10 0 CFAELP COCc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000040672749 174371143 /nfs/dbraw/zinc/37/11/43/174371143.db2.gz ODAVVODLPKJCBH-BBRMVZONSA-N 2 2 292.423 2.586 10 0 CFAELP Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000040673095 174371446 /nfs/dbraw/zinc/37/14/46/174371446.db2.gz ILGBOGXNEKGILO-CABCVRRESA-N 2 2 261.413 2.752 10 0 CFAELP Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000040673095 174371447 /nfs/dbraw/zinc/37/14/47/174371447.db2.gz ILGBOGXNEKGILO-CABCVRRESA-N 2 2 261.413 2.752 10 0 CFAELP Cc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040673105 174371581 /nfs/dbraw/zinc/37/15/81/174371581.db2.gz KLXOPBQPHFNXQE-ZBFHGGJFSA-N 2 2 274.408 2.893 10 0 CFAELP Cc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040673105 174371583 /nfs/dbraw/zinc/37/15/83/174371583.db2.gz KLXOPBQPHFNXQE-ZBFHGGJFSA-N 2 2 274.408 2.893 10 0 CFAELP Nc1c(Nc2cc[nH+]cc2)nc[nH+]c1NCc1ccccc1 ZINC000040687510 174375690 /nfs/dbraw/zinc/37/56/90/174375690.db2.gz QYQVVKNDVWFALD-UHFFFAOYSA-N 2 2 292.346 2.810 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000042955834 174924271 /nfs/dbraw/zinc/92/42/71/174924271.db2.gz GUECEAOUKDCVQS-STQMWFEESA-N 2 2 294.196 2.972 10 0 CFAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)c1C ZINC000043314607 175004850 /nfs/dbraw/zinc/00/48/50/175004850.db2.gz DAJWRRLKQOKOFK-UKRRQHHQSA-N 2 2 264.438 2.741 10 0 CFAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)c1C ZINC000043314607 175004852 /nfs/dbraw/zinc/00/48/52/175004852.db2.gz DAJWRRLKQOKOFK-UKRRQHHQSA-N 2 2 264.438 2.741 10 0 CFAELP C[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043339525 175013770 /nfs/dbraw/zinc/01/37/70/175013770.db2.gz TUISOYPMKJNRKA-MPTYRVRUSA-N 2 2 273.424 2.982 10 0 CFAELP C[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043339525 175013771 /nfs/dbraw/zinc/01/37/71/175013771.db2.gz TUISOYPMKJNRKA-MPTYRVRUSA-N 2 2 273.424 2.982 10 0 CFAELP Cc1cc2[nH+]cn([C@@H](c3ccccn3)[C@H](C)[NH3+])c2cc1C ZINC000043341372 175015472 /nfs/dbraw/zinc/01/54/72/175015472.db2.gz BACYUNFOYCOZHJ-SUMWQHHRSA-N 2 2 280.375 2.985 10 0 CFAELP CCC(CC)[N@@H+](CCOC)[C@@H](c1cccnc1)[C@H]([NH3+])CC ZINC000043348483 175018835 /nfs/dbraw/zinc/01/88/35/175018835.db2.gz ORAKNGQSFAPEJT-SJORKVTESA-N 2 2 293.455 2.997 10 0 CFAELP CCC(CC)[N@H+](CCOC)[C@@H](c1cccnc1)[C@H]([NH3+])CC ZINC000043348483 175018836 /nfs/dbraw/zinc/01/88/36/175018836.db2.gz ORAKNGQSFAPEJT-SJORKVTESA-N 2 2 293.455 2.997 10 0 CFAELP C[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+](C)CC1CCCCC1 ZINC000043354247 175021291 /nfs/dbraw/zinc/02/12/91/175021291.db2.gz UUIBUXYRMQRREL-BBRMVZONSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](C)CC1CCCCC1 ZINC000043354247 175021292 /nfs/dbraw/zinc/02/12/92/175021292.db2.gz UUIBUXYRMQRREL-BBRMVZONSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](C)[C@@H]1CCSC1 ZINC000043364097 175024999 /nfs/dbraw/zinc/02/49/99/175024999.db2.gz KZOKZMWZQCQTBG-YRGRVCCFSA-N 2 2 268.426 2.804 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043364097 175025000 /nfs/dbraw/zinc/02/50/00/175025000.db2.gz KZOKZMWZQCQTBG-YRGRVCCFSA-N 2 2 268.426 2.804 10 0 CFAELP CCOC1CC[NH+]([C@H](c2ccc(C)o2)[C@H]([NH3+])CC)CC1 ZINC000043364577 175025738 /nfs/dbraw/zinc/02/57/38/175025738.db2.gz BTSUBGBNKLZXIX-ZBFHGGJFSA-N 2 2 280.412 2.867 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043364996 175026191 /nfs/dbraw/zinc/02/61/91/175026191.db2.gz LLXWIIGKFWUQCD-DOTOQJQBSA-N 3 2 293.455 2.640 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@@H]([C@H](C)[NH3+])C(F)(F)F ZINC000043379399 175030885 /nfs/dbraw/zinc/03/08/85/175030885.db2.gz PFYDWJDTONPXCC-CPCISQLKSA-N 2 2 257.259 2.795 10 0 CFAELP COCC[N@H+](CC(C)C)[C@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394450 175035056 /nfs/dbraw/zinc/03/50/56/175035056.db2.gz OKSGLXUWDNZJST-QGZVFWFLSA-N 2 2 278.440 2.908 10 0 CFAELP COCC[N@@H+](CC(C)C)[C@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394450 175035058 /nfs/dbraw/zinc/03/50/58/175035058.db2.gz OKSGLXUWDNZJST-QGZVFWFLSA-N 2 2 278.440 2.908 10 0 CFAELP CCC1CCC(C[NH3+])([N@@H+]2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000043424624 175040076 /nfs/dbraw/zinc/04/00/76/175040076.db2.gz UVHDTMUJILTVOW-PWUWZPNHSA-N 2 2 266.429 2.537 10 0 CFAELP CCC1CCC(C[NH3+])([N@H+]2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000043424624 175040077 /nfs/dbraw/zinc/04/00/77/175040077.db2.gz UVHDTMUJILTVOW-PWUWZPNHSA-N 2 2 266.429 2.537 10 0 CFAELP CC1(C)C[C@H]([NH3+])c2ccc(OCCn3cc[nH+]c3)cc2O1 ZINC000043460188 175050874 /nfs/dbraw/zinc/05/08/74/175050874.db2.gz QEFZCCRCFMNWGB-AWEZNQCLSA-N 2 2 287.363 2.523 10 0 CFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1OC ZINC000043565243 175066866 /nfs/dbraw/zinc/06/68/66/175066866.db2.gz ZVCYPYVZWRERPR-LBPRGKRZSA-N 2 2 279.771 2.965 10 0 CFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1OC ZINC000043565245 175066953 /nfs/dbraw/zinc/06/69/53/175066953.db2.gz ZVCYPYVZWRERPR-GFCCVEGCSA-N 2 2 279.771 2.965 10 0 CFAELP Fc1cc2[nH]c(CC[C@@H]3CCC[NH2+]C3)[nH+]c2cc1F ZINC000043585984 175071688 /nfs/dbraw/zinc/07/16/88/175071688.db2.gz YCZZASZSZLLTDV-VIFPVBQESA-N 2 2 265.307 2.773 10 0 CFAELP CCC[NH2+][C@@H](C[NH+]1CCCC1)c1ccc(OC)c(OC)c1 ZINC000043807755 175109097 /nfs/dbraw/zinc/10/90/97/175109097.db2.gz KIWVEKSPJCIEMX-HNNXBMFYSA-N 2 2 292.423 2.840 10 0 CFAELP CCC[NH2+][C@H](C[NH+]1CCCC1)c1cccc(OC)c1 ZINC000043807663 175109144 /nfs/dbraw/zinc/10/91/44/175109144.db2.gz SJLIGMWVELXJPM-MRXNPFEDSA-N 2 2 262.397 2.832 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811494 175110833 /nfs/dbraw/zinc/11/08/33/175110833.db2.gz JRMKVJQWPMGNHO-FZKCQIBNSA-N 2 2 268.445 2.797 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811494 175110835 /nfs/dbraw/zinc/11/08/35/175110835.db2.gz JRMKVJQWPMGNHO-FZKCQIBNSA-N 2 2 268.445 2.797 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](C)Cc1ccccn1 ZINC000043894445 175119026 /nfs/dbraw/zinc/11/90/26/175119026.db2.gz PQVKLDSDBYXFPW-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](C)Cc1ccccn1 ZINC000043894445 175119027 /nfs/dbraw/zinc/11/90/27/175119027.db2.gz PQVKLDSDBYXFPW-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@H+](C)Cc1ccccn1 ZINC000043894449 175119210 /nfs/dbraw/zinc/11/92/10/175119210.db2.gz PQVKLDSDBYXFPW-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](C)Cc1ccccn1 ZINC000043894449 175119211 /nfs/dbraw/zinc/11/92/11/175119211.db2.gz PQVKLDSDBYXFPW-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@H](CC)[N@@H+]1CCOC(C)(C)C1 ZINC000043897909 175120537 /nfs/dbraw/zinc/12/05/37/175120537.db2.gz QIYKWDLHBMWOKP-KBPBESRZSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@H](CC)[N@H+]1CCOC(C)(C)C1 ZINC000043897909 175120539 /nfs/dbraw/zinc/12/05/39/175120539.db2.gz QIYKWDLHBMWOKP-KBPBESRZSA-N 2 2 256.434 2.654 10 0 CFAELP C[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)C1CCCCCC1)OCCO2 ZINC000043899602 175121755 /nfs/dbraw/zinc/12/17/55/175121755.db2.gz BGLYWHBTLSIRBG-JKSUJKDBSA-N 2 2 296.455 2.525 10 0 CFAELP C[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)C1CCCCCC1)OCCO2 ZINC000043899602 175121756 /nfs/dbraw/zinc/12/17/56/175121756.db2.gz BGLYWHBTLSIRBG-JKSUJKDBSA-N 2 2 296.455 2.525 10 0 CFAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)CCc1ccncc1 ZINC000043902049 175122503 /nfs/dbraw/zinc/12/25/03/175122503.db2.gz UHOJWBWMESIZPL-PVAVHDDUSA-N 2 2 275.440 2.723 10 0 CFAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902049 175122504 /nfs/dbraw/zinc/12/25/04/175122504.db2.gz UHOJWBWMESIZPL-PVAVHDDUSA-N 2 2 275.440 2.723 10 0 CFAELP C[NH2+][C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(F)cc1 ZINC000043911089 175123660 /nfs/dbraw/zinc/12/36/60/175123660.db2.gz GVRCRGGXFWWUQI-LSDHHAIUSA-N 2 2 250.361 2.788 10 0 CFAELP C[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(F)cc1 ZINC000043911089 175123661 /nfs/dbraw/zinc/12/36/61/175123661.db2.gz GVRCRGGXFWWUQI-LSDHHAIUSA-N 2 2 250.361 2.788 10 0 CFAELP CCC[NH2+][C@@H](C)[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911731 175123679 /nfs/dbraw/zinc/12/36/79/175123679.db2.gz KBUWDQUROZSHMS-UONOGXRCSA-N 2 2 264.413 2.904 10 0 CFAELP CCC[NH2+][C@@H](C)[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911731 175123680 /nfs/dbraw/zinc/12/36/80/175123680.db2.gz KBUWDQUROZSHMS-UONOGXRCSA-N 2 2 264.413 2.904 10 0 CFAELP CC[NH2+][C@@H](CC)[C@@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000043911917 175123685 /nfs/dbraw/zinc/12/36/85/175123685.db2.gz NJLDZQWHEMCYIG-CJNGLKHVSA-N 2 2 264.413 2.904 10 0 CFAELP CC[NH2+][C@@H](CC)[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911917 175123686 /nfs/dbraw/zinc/12/36/86/175123686.db2.gz NJLDZQWHEMCYIG-CJNGLKHVSA-N 2 2 264.413 2.904 10 0 CFAELP CC[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)Cc1cccc(OC)c1 ZINC000043911905 175123741 /nfs/dbraw/zinc/12/37/41/175123741.db2.gz WNRHIIAVUNNHER-CVEARBPZSA-N 2 2 262.397 2.658 10 0 CFAELP CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911905 175123742 /nfs/dbraw/zinc/12/37/42/175123742.db2.gz WNRHIIAVUNNHER-CVEARBPZSA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911522 175123763 /nfs/dbraw/zinc/12/37/63/175123763.db2.gz IDKWKSCKYNMYCG-HOTGVXAUSA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911522 175123764 /nfs/dbraw/zinc/12/37/64/175123764.db2.gz IDKWKSCKYNMYCG-HOTGVXAUSA-N 2 2 262.397 2.658 10 0 CFAELP CC[C@@H]([NH2+]C)[C@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000043911822 175123784 /nfs/dbraw/zinc/12/37/84/175123784.db2.gz WUBGHJFBBUHHRD-SWLSCSKDSA-N 2 2 250.386 2.514 10 0 CFAELP CC[C@@H]([NH2+]C)[C@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911822 175123785 /nfs/dbraw/zinc/12/37/85/175123785.db2.gz WUBGHJFBBUHHRD-SWLSCSKDSA-N 2 2 250.386 2.514 10 0 CFAELP C[NH2+][C@H](C[N@H+](C)Cc1ccc(OC)cc1)C(C)(C)C ZINC000043911437 175123791 /nfs/dbraw/zinc/12/37/91/175123791.db2.gz AWSPLWDEJYPHGN-OAHLLOKOSA-N 2 2 264.413 2.761 10 0 CFAELP C[NH2+][C@H](C[N@@H+](C)Cc1ccc(OC)cc1)C(C)(C)C ZINC000043911437 175123792 /nfs/dbraw/zinc/12/37/92/175123792.db2.gz AWSPLWDEJYPHGN-OAHLLOKOSA-N 2 2 264.413 2.761 10 0 CFAELP CCC[NH2+][C@H](C)C[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911698 175123794 /nfs/dbraw/zinc/12/37/94/175123794.db2.gz WITZXEVIBHEOKD-CYBMUJFWSA-N 2 2 250.386 2.515 10 0 CFAELP CCC[NH2+][C@H](C)C[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911698 175123795 /nfs/dbraw/zinc/12/37/95/175123795.db2.gz WITZXEVIBHEOKD-CYBMUJFWSA-N 2 2 250.386 2.515 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966383 175127853 /nfs/dbraw/zinc/12/78/53/175127853.db2.gz WSZUBNPCTAOIAE-JYJNAYRXSA-N 2 2 268.445 2.798 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966383 175127854 /nfs/dbraw/zinc/12/78/54/175127854.db2.gz WSZUBNPCTAOIAE-JYJNAYRXSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966721 175128169 /nfs/dbraw/zinc/12/81/69/175128169.db2.gz GQMKCARNEXHZDC-ARFHVFGLSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966721 175128170 /nfs/dbraw/zinc/12/81/70/175128170.db2.gz GQMKCARNEXHZDC-ARFHVFGLSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@@H]1[N@H+](C)CC1CCCCC1 ZINC000043968304 175129432 /nfs/dbraw/zinc/12/94/32/175129432.db2.gz WVPRYCFAJJQGJN-HOTGVXAUSA-N 2 2 268.445 2.656 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](C)CC1CCCCC1 ZINC000043968304 175129433 /nfs/dbraw/zinc/12/94/33/175129433.db2.gz WVPRYCFAJJQGJN-HOTGVXAUSA-N 2 2 268.445 2.656 10 0 CFAELP CCc1ccc([C@H]([NH2+]C)[C@@H](C)[N@H+](CC)CCOC)cc1 ZINC000043968579 175129892 /nfs/dbraw/zinc/12/98/92/175129892.db2.gz WOYJQWVBQHXSMJ-RHSMWYFYSA-N 2 2 278.440 2.866 10 0 CFAELP CCc1ccc([C@H]([NH2+]C)[C@@H](C)[N@@H+](CC)CCOC)cc1 ZINC000043968579 175129893 /nfs/dbraw/zinc/12/98/93/175129893.db2.gz WOYJQWVBQHXSMJ-RHSMWYFYSA-N 2 2 278.440 2.866 10 0 CFAELP CC[NH2+][C@H]1CCOC[C@H]1[N@H+](C)C1CCC(CC)CC1 ZINC000043968995 175130552 /nfs/dbraw/zinc/13/05/52/175130552.db2.gz XORYXRFRLWVQFH-SSHXOBKSSA-N 2 2 268.445 2.654 10 0 CFAELP CC[NH2+][C@H]1CCOC[C@H]1[N@@H+](C)C1CCC(CC)CC1 ZINC000043968995 175130554 /nfs/dbraw/zinc/13/05/54/175130554.db2.gz XORYXRFRLWVQFH-SSHXOBKSSA-N 2 2 268.445 2.654 10 0 CFAELP C[NH2+][C@H](Cn1cc[nH+]c1)c1cccc2ccccc21 ZINC000043993097 175135791 /nfs/dbraw/zinc/13/57/91/175135791.db2.gz ATEJUYQOAUZHBM-MRXNPFEDSA-N 2 2 251.333 2.997 10 0 CFAELP CC[NH2+][C@@H]1CCOC[C@@H]1n1c[nH+]c2cc(C)c(C)cc21 ZINC000043996690 175137143 /nfs/dbraw/zinc/13/71/43/175137143.db2.gz FVOPVCDIRALARB-CJNGLKHVSA-N 2 2 273.380 2.593 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@H]1n1cc[nH+]c1-c1ccccc1 ZINC000044000263 175138257 /nfs/dbraw/zinc/13/82/57/175138257.db2.gz YRIGHPSZTIPRLB-JKSUJKDBSA-N 2 2 285.391 2.880 10 0 CFAELP C[C@H](CC[NH2+][C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000044427718 175175404 /nfs/dbraw/zinc/17/54/04/175175404.db2.gz KEICOKKQOLDBAC-RHSMWYFYSA-N 2 2 258.409 2.864 10 0 CFAELP CC[C@@H](c1ccc(OC)cc1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540188 175200557 /nfs/dbraw/zinc/20/05/57/175200557.db2.gz RBQWBDMQDDBYRJ-ZBFHGGJFSA-N 2 2 262.397 2.960 10 0 CFAELP CC[C@@H](c1ccc(OC)cc1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540188 175200558 /nfs/dbraw/zinc/20/05/58/175200558.db2.gz RBQWBDMQDDBYRJ-ZBFHGGJFSA-N 2 2 262.397 2.960 10 0 CFAELP CCOc1ccccc1[C@H](C)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540170 175200596 /nfs/dbraw/zinc/20/05/96/175200596.db2.gz GEZGYELZEIRHLC-UONOGXRCSA-N 2 2 262.397 2.960 10 0 CFAELP CCOc1ccccc1[C@H](C)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540170 175200597 /nfs/dbraw/zinc/20/05/97/175200597.db2.gz GEZGYELZEIRHLC-UONOGXRCSA-N 2 2 262.397 2.960 10 0 CFAELP Cc1ccc(C)c(OCCC[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044558403 175202954 /nfs/dbraw/zinc/20/29/54/175202954.db2.gz LAELFWDQCWEVLQ-MRXNPFEDSA-N 2 2 276.424 2.886 10 0 CFAELP Cc1ccc(C)c(OCCC[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044558403 175202955 /nfs/dbraw/zinc/20/29/55/175202955.db2.gz LAELFWDQCWEVLQ-MRXNPFEDSA-N 2 2 276.424 2.886 10 0 CFAELP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2NC[C@@H]1CCCC[NH+]1C ZINC000044560646 175204246 /nfs/dbraw/zinc/20/42/46/175204246.db2.gz BKXAZVDTSVMRFK-KTGAGVNESA-N 2 2 293.499 2.569 10 0 CFAELP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2NC[C@@H]1CCCC[NH+]1C ZINC000044560646 175204247 /nfs/dbraw/zinc/20/42/47/175204247.db2.gz BKXAZVDTSVMRFK-KTGAGVNESA-N 2 2 293.499 2.569 10 0 CFAELP CC(C)[NH+]1C[C@H]2CCC[C@@H](C1)C2NC[C@@H]1CCCC[N@@H+]1C ZINC000044560646 175204248 /nfs/dbraw/zinc/20/42/48/175204248.db2.gz BKXAZVDTSVMRFK-KTGAGVNESA-N 2 2 293.499 2.569 10 0 CFAELP CC(C)[NH+]1C[C@H]2CCC[C@@H](C1)C2NC[C@@H]1CCCC[N@H+]1C ZINC000044560646 175204249 /nfs/dbraw/zinc/20/42/49/175204249.db2.gz BKXAZVDTSVMRFK-KTGAGVNESA-N 2 2 293.499 2.569 10 0 CFAELP Cc1nc(C[N@@H+](C)Cc2cccc(C[NH3+])c2)cs1 ZINC000044608689 175215788 /nfs/dbraw/zinc/21/57/88/175215788.db2.gz PCIKKPDFMGNZGT-UHFFFAOYSA-N 2 2 261.394 2.542 10 0 CFAELP Cc1nc(C[N@H+](C)Cc2cccc(C[NH3+])c2)cs1 ZINC000044608689 175215789 /nfs/dbraw/zinc/21/57/89/175215789.db2.gz PCIKKPDFMGNZGT-UHFFFAOYSA-N 2 2 261.394 2.542 10 0 CFAELP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(C)no2)C1 ZINC000044986363 175284805 /nfs/dbraw/zinc/28/48/05/175284805.db2.gz ZNYAGJXAPGEUPY-ZIAGYGMSSA-N 2 2 265.401 2.583 10 0 CFAELP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(C)no2)C1 ZINC000044986363 175284807 /nfs/dbraw/zinc/28/48/07/175284807.db2.gz ZNYAGJXAPGEUPY-ZIAGYGMSSA-N 2 2 265.401 2.583 10 0 CFAELP CCC[NH2+][C@](C)(CCC[N@@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367943 175362792 /nfs/dbraw/zinc/36/27/92/175362792.db2.gz OKRIKSLPQNHEES-GOEBONIOSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[NH2+][C@](C)(CCC[N@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367943 175362793 /nfs/dbraw/zinc/36/27/93/175362793.db2.gz OKRIKSLPQNHEES-GOEBONIOSA-N 2 2 284.444 2.572 10 0 CFAELP CCCC[N@H+](CC)CCC[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000045370773 175364357 /nfs/dbraw/zinc/36/43/57/175364357.db2.gz RTQWPORVMJAEEY-INIZCTEOSA-N 2 2 284.444 2.572 10 0 CFAELP CCCC[N@@H+](CC)CCC[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000045370773 175364358 /nfs/dbraw/zinc/36/43/58/175364358.db2.gz RTQWPORVMJAEEY-INIZCTEOSA-N 2 2 284.444 2.572 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[NH+]1CCCCCC1)C(=O)OCC ZINC000045377455 175366753 /nfs/dbraw/zinc/36/67/53/175366753.db2.gz NVBKMUVXOOTPMI-KRWDZBQOSA-N 2 2 298.471 2.964 10 0 CFAELP CCC[NH+](CCC)CCC[C@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045378648 175367729 /nfs/dbraw/zinc/36/77/29/175367729.db2.gz XRHISFTXHABJQI-KRWDZBQOSA-N 2 2 298.471 2.962 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH2+]C ZINC000045379701 175369508 /nfs/dbraw/zinc/36/95/08/175369508.db2.gz VTFFPSHFVWWSLQ-LZWOXQAQSA-N 2 2 284.444 2.571 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH2+]C ZINC000045379701 175369509 /nfs/dbraw/zinc/36/95/09/175369509.db2.gz VTFFPSHFVWWSLQ-LZWOXQAQSA-N 2 2 284.444 2.571 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@H+](CC)CC(C)C)[NH2+]C1CC1 ZINC000045381893 175370028 /nfs/dbraw/zinc/37/00/28/175370028.db2.gz IRICNZSSXABBKH-KRWDZBQOSA-N 2 2 298.471 2.818 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@@H+](CC)CC(C)C)[NH2+]C1CC1 ZINC000045381893 175370030 /nfs/dbraw/zinc/37/00/30/175370030.db2.gz IRICNZSSXABBKH-KRWDZBQOSA-N 2 2 298.471 2.818 10 0 CFAELP COC(=O)[C@@](C)(CCCC[N@H+](C)C1CCCC1)[NH2+]C1CC1 ZINC000045384747 175372078 /nfs/dbraw/zinc/37/20/78/175372078.db2.gz IRIXNQMTSJATHC-QGZVFWFLSA-N 2 2 296.455 2.715 10 0 CFAELP COC(=O)[C@@](C)(CCCC[N@@H+](C)C1CCCC1)[NH2+]C1CC1 ZINC000045384747 175372079 /nfs/dbraw/zinc/37/20/79/175372079.db2.gz IRIXNQMTSJATHC-QGZVFWFLSA-N 2 2 296.455 2.715 10 0 CFAELP CC(C)Oc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1 ZINC000045946372 175387709 /nfs/dbraw/zinc/38/77/09/175387709.db2.gz QABHYZHPBPASCQ-UHFFFAOYSA-N 2 2 259.353 2.529 10 0 CFAELP CC(C)Oc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1 ZINC000045946372 175387710 /nfs/dbraw/zinc/38/77/10/175387710.db2.gz QABHYZHPBPASCQ-UHFFFAOYSA-N 2 2 259.353 2.529 10 0 CFAELP Fc1cccc(Cl)c1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000045946232 175387862 /nfs/dbraw/zinc/38/78/62/175387862.db2.gz LLHBCSURQHBBGD-UHFFFAOYSA-N 2 2 253.708 2.535 10 0 CFAELP Fc1cccc(Cl)c1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000045946232 175387863 /nfs/dbraw/zinc/38/78/63/175387863.db2.gz LLHBCSURQHBBGD-UHFFFAOYSA-N 2 2 253.708 2.535 10 0 CFAELP C[NH2+]C[C@@H]1CCN(c2[nH+]c3ccccc3cc2C)C1 ZINC000071147839 176044118 /nfs/dbraw/zinc/04/41/18/176044118.db2.gz GNBBCCUSXRJVBT-ZDUSSCGKSA-N 2 2 255.365 2.589 10 0 CFAELP CC[N@H+](CCSc1ccc(C)cc1)[C@H]1CC[NH2+]C1 ZINC000071313899 176120550 /nfs/dbraw/zinc/12/05/50/176120550.db2.gz CFQZCPVBTKPYIT-AWEZNQCLSA-N 2 2 264.438 2.771 10 0 CFAELP CC[N@@H+](CCSc1ccc(C)cc1)[C@H]1CC[NH2+]C1 ZINC000071313899 176120552 /nfs/dbraw/zinc/12/05/52/176120552.db2.gz CFQZCPVBTKPYIT-AWEZNQCLSA-N 2 2 264.438 2.771 10 0 CFAELP CC(C)(C)c1ccc(Cn2c[nH+]c(CC[NH3+])c2)cc1 ZINC000071582867 176208054 /nfs/dbraw/zinc/20/80/54/176208054.db2.gz LHVLXCOQLHSXJE-UHFFFAOYSA-N 2 2 257.381 2.730 10 0 CFAELP CC1(C)CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)CC[C@H]21 ZINC000076697537 177061091 /nfs/dbraw/zinc/06/10/91/177061091.db2.gz QRRNYPWMVYJEKH-CVEARBPZSA-N 2 2 258.409 2.897 10 0 CFAELP CC1(C)CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]21 ZINC000076697537 177061092 /nfs/dbraw/zinc/06/10/92/177061092.db2.gz QRRNYPWMVYJEKH-CVEARBPZSA-N 2 2 258.409 2.897 10 0 CFAELP C[C@@H]([NH2+]Cc1ccnc(N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000193543237 270239065 /nfs/dbraw/zinc/23/90/65/270239065.db2.gz YXECMGTVQITWJN-CYBMUJFWSA-N 2 2 293.374 2.700 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000313325060 270290627 /nfs/dbraw/zinc/29/06/27/270290627.db2.gz KJYQXKMVHYXAFY-CABCVRRESA-N 2 2 267.376 2.731 10 0 CFAELP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(OC)cc1 ZINC000313277766 270290744 /nfs/dbraw/zinc/29/07/44/270290744.db2.gz FGZVNYPXGSFLJV-MRXNPFEDSA-N 2 2 273.380 2.712 10 0 CFAELP C[C@@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000249135980 274302026 /nfs/dbraw/zinc/30/20/26/274302026.db2.gz VMWJIZQQHHYWRA-DJIMGWMZSA-N 2 2 291.439 2.707 10 0 CFAELP C[C@@H]1CC[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000249135980 274302028 /nfs/dbraw/zinc/30/20/28/274302028.db2.gz VMWJIZQQHHYWRA-DJIMGWMZSA-N 2 2 291.439 2.707 10 0 CFAELP C[C@@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)[C@@H](C[NH3+])C1 ZINC000235359374 274302364 /nfs/dbraw/zinc/30/23/64/274302364.db2.gz AFMSIVWYPFATJA-MLGOLLRUSA-N 2 2 287.382 2.933 10 0 CFAELP C[C@@H]1CC[N@@H+](Cc2cc(F)cc3cccnc32)[C@@H](C[NH3+])C1 ZINC000235359374 274302366 /nfs/dbraw/zinc/30/23/66/274302366.db2.gz AFMSIVWYPFATJA-MLGOLLRUSA-N 2 2 287.382 2.933 10 0 CFAELP CC[N@@H+]1CCC[C@H]1CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000302102978 276377686 /nfs/dbraw/zinc/37/76/86/276377686.db2.gz QRJCPPBAIIUGEY-AWEZNQCLSA-N 2 2 288.439 2.584 10 0 CFAELP CC[N@H+]1CCC[C@H]1CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000302102978 276377688 /nfs/dbraw/zinc/37/76/88/276377688.db2.gz QRJCPPBAIIUGEY-AWEZNQCLSA-N 2 2 288.439 2.584 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000126678609 279133950 /nfs/dbraw/zinc/13/39/50/279133950.db2.gz QXFFJQHHGBQNRY-GDBMZVCRSA-N 2 2 278.440 2.889 10 0 CFAELP Clc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398389980 281206274 /nfs/dbraw/zinc/20/62/74/281206274.db2.gz YWADFZZIGZCKRK-SECBINFHSA-N 2 2 259.180 2.693 10 0 CFAELP Cc1c[nH+]ccc1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000187670287 302387598 /nfs/dbraw/zinc/38/75/98/302387598.db2.gz VBAQSVPVHIPOSN-CQSZACIVSA-N 2 2 290.411 2.776 10 0 CFAELP CC(C)[NH2+]Cc1cc(F)c(-n2cc[nH+]c2)c(F)c1 ZINC000062719525 519726062 /nfs/dbraw/zinc/72/60/62/519726062.db2.gz DWZOJHVLDWUGRK-UHFFFAOYSA-N 2 2 251.280 2.649 10 0 CFAELP CCC1CCC([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000070143863 519856946 /nfs/dbraw/zinc/85/69/46/519856946.db2.gz PZXVVSTWKHGQTM-UHFFFAOYSA-N 2 2 264.417 2.545 10 0 CFAELP CCCC1CC[NH+](CCC[C@@](C)([NH2+]CC)C(=O)OC)CC1 ZINC000050905784 519901022 /nfs/dbraw/zinc/90/10/22/519901022.db2.gz CGWNPXCOPFIEOV-QGZVFWFLSA-N 2 2 298.471 2.820 10 0 CFAELP CC[NH2+]C1CC[NH+]([C@H](C)c2sc(C)nc2C)CC1 ZINC000049533876 519909763 /nfs/dbraw/zinc/90/97/63/519909763.db2.gz VGKKJCFEJJGXHO-LLVKDONJSA-N 2 2 267.442 2.895 10 0 CFAELP CCC[NH2+][C@H](CC[C@H]1CCCCO1)Cc1[nH]cc[nH+]1 ZINC000069392539 520081106 /nfs/dbraw/zinc/08/11/06/520081106.db2.gz AQFDNWPKBSQDJV-ZIAGYGMSSA-N 2 2 265.401 2.670 10 0 CFAELP CC[NH2+][C@H]1CCOC[C@@H]1[NH+]1CCC(C(C)(C)C)CC1 ZINC000050346700 520218115 /nfs/dbraw/zinc/21/81/15/520218115.db2.gz PZDSLHBVJOXPMM-GJZGRUSLSA-N 2 2 268.445 2.512 10 0 CFAELP CCCO[C@H]1CCC[N@@H+]([C@@H](C)C[NH2+]C(C)(C)C)C1 ZINC000052371496 520286798 /nfs/dbraw/zinc/28/67/98/520286798.db2.gz JTHFSTZQCHPNFW-KBPBESRZSA-N 2 2 256.434 2.654 10 0 CFAELP CCCO[C@H]1CCC[N@H+]([C@@H](C)C[NH2+]C(C)(C)C)C1 ZINC000052371496 520286799 /nfs/dbraw/zinc/28/67/99/520286799.db2.gz JTHFSTZQCHPNFW-KBPBESRZSA-N 2 2 256.434 2.654 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000069429749 521309085 /nfs/dbraw/zinc/30/90/85/521309085.db2.gz QWEBCUCCFXRDPZ-AWEZNQCLSA-N 2 2 262.397 2.742 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000069429749 521309090 /nfs/dbraw/zinc/30/90/90/521309090.db2.gz QWEBCUCCFXRDPZ-AWEZNQCLSA-N 2 2 262.397 2.742 10 0 CFAELP CC[N@@H+](Cc1ccncc1)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052514814 521422797 /nfs/dbraw/zinc/42/27/97/521422797.db2.gz AFUQJIUKIBOGHO-INIZCTEOSA-N 2 2 261.413 2.680 10 0 CFAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)ccc1F ZINC000422816301 533812889 /nfs/dbraw/zinc/81/28/89/533812889.db2.gz ZIOCQSYMQPTWQO-KYTZWMPUSA-N 2 2 266.335 2.898 10 0 CFAELP CC(C)(C)OCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195516029 518873393 /nfs/dbraw/zinc/87/33/93/518873393.db2.gz YEHNQMBPCGIUJU-AWEZNQCLSA-N 2 2 277.412 2.631 10 0 CFAELP CC(C)(C)OCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195516029 518873398 /nfs/dbraw/zinc/87/33/98/518873398.db2.gz YEHNQMBPCGIUJU-AWEZNQCLSA-N 2 2 277.412 2.631 10 0 CFAELP CC(C)[NH2+]CC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000052416639 519722062 /nfs/dbraw/zinc/72/20/62/519722062.db2.gz FWFHBGAWHHFORB-LBPRGKRZSA-N 2 2 252.427 2.883 10 0 CFAELP CC(C)[NH2+]CC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000052416639 519722064 /nfs/dbraw/zinc/72/20/64/519722064.db2.gz FWFHBGAWHHFORB-LBPRGKRZSA-N 2 2 252.427 2.883 10 0 CFAELP CC(C)C[NH2+]C[C@@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC000052346116 519744579 /nfs/dbraw/zinc/74/45/79/519744579.db2.gz LZUYUUSRKDBKEZ-CYBMUJFWSA-N 2 2 252.377 2.892 10 0 CFAELP CC(C)C[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346116 519744580 /nfs/dbraw/zinc/74/45/80/519744580.db2.gz LZUYUUSRKDBKEZ-CYBMUJFWSA-N 2 2 252.377 2.892 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000049204529 519793509 /nfs/dbraw/zinc/79/35/09/519793509.db2.gz OCADZSKAXZVZHP-CABCVRRESA-N 2 2 284.831 2.549 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000049196105 519814733 /nfs/dbraw/zinc/81/47/33/519814733.db2.gz WLOCAAVRBIKZAD-PBHICJAKSA-N 2 2 278.440 2.889 10 0 CFAELP CCCC1CC[NH+]([C@@H](c2ccccn2)[C@@H](C)[NH3+])CC1 ZINC000050893006 519902823 /nfs/dbraw/zinc/90/28/23/519902823.db2.gz PPGQRQXZDDFXAA-CZUORRHYSA-N 2 2 261.413 2.982 10 0 CFAELP CCCC1CC[NH+]([C@H](c2cnn(C)c2)[C@@H]([NH3+])CC)CC1 ZINC000050892931 519903110 /nfs/dbraw/zinc/90/31/10/519903110.db2.gz XPNCUHZZCKNXHF-JKSUJKDBSA-N 2 2 278.444 2.711 10 0 CFAELP CC[NH2+]C1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000049530904 519908776 /nfs/dbraw/zinc/90/87/76/519908776.db2.gz GXPHJRDPTYUCHC-GFCCVEGCSA-N 2 2 250.361 2.961 10 0 CFAELP CCC[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418227 519918801 /nfs/dbraw/zinc/91/88/01/519918801.db2.gz ZLLGNSKSXIRVMB-OAHLLOKOSA-N 2 2 293.430 2.726 10 0 CFAELP CC[NH2+]C[C@@H](C(C)C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000052418895 519932176 /nfs/dbraw/zinc/93/21/76/519932176.db2.gz ICJSOICEOUWIIO-SFHVURJKSA-N 2 2 289.467 2.751 10 0 CFAELP CC[NH2+]Cc1c2ccccc2oc1C[N@@H+]1CCOC[C@H]1C ZINC000052476013 519985971 /nfs/dbraw/zinc/98/59/71/519985971.db2.gz XZLHUWBYRZNGAR-CYBMUJFWSA-N 2 2 288.391 2.763 10 0 CFAELP CC[NH2+]Cc1c2ccccc2oc1C[N@H+]1CCOC[C@H]1C ZINC000052476013 519985977 /nfs/dbraw/zinc/98/59/77/519985977.db2.gz XZLHUWBYRZNGAR-CYBMUJFWSA-N 2 2 288.391 2.763 10 0 CFAELP Cc1ccc2cc(C[N@@H+]3CCCC[C@@H]3C[NH3+])ccc2n1 ZINC000097862607 534467535 /nfs/dbraw/zinc/46/75/35/534467535.db2.gz QXHZHYRWODUPAN-MRXNPFEDSA-N 2 2 269.392 2.856 10 0 CFAELP Cc1ccc2cc(C[N@H+]3CCCC[C@@H]3C[NH3+])ccc2n1 ZINC000097862607 534467541 /nfs/dbraw/zinc/46/75/41/534467541.db2.gz QXHZHYRWODUPAN-MRXNPFEDSA-N 2 2 269.392 2.856 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000069427684 521310093 /nfs/dbraw/zinc/31/00/93/521310093.db2.gz MYZGJAHXTUNNOO-CQSZACIVSA-N 2 2 250.386 2.815 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000069427684 521310105 /nfs/dbraw/zinc/31/01/05/521310105.db2.gz MYZGJAHXTUNNOO-CQSZACIVSA-N 2 2 250.386 2.815 10 0 CFAELP CC[N@H+](Cc1ccncc1)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052514814 521422789 /nfs/dbraw/zinc/42/27/89/521422789.db2.gz AFUQJIUKIBOGHO-INIZCTEOSA-N 2 2 261.413 2.680 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000300536714 521624989 /nfs/dbraw/zinc/62/49/89/521624989.db2.gz WTJRAARDYSORMF-PBHICJAKSA-N 2 2 274.408 2.844 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000300536714 521624994 /nfs/dbraw/zinc/62/49/94/521624994.db2.gz WTJRAARDYSORMF-PBHICJAKSA-N 2 2 274.408 2.844 10 0 CFAELP COc1c(C)c[nH+]c(C[C@H](C(C)C)[C@H](C)[NH3+])c1C ZINC000061686268 521816842 /nfs/dbraw/zinc/81/68/42/521816842.db2.gz JBDPUJFORRRPOT-QWHCGFSZSA-N 2 2 250.386 2.869 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@H+](C)CCc1ccccn1 ZINC000052203403 521929638 /nfs/dbraw/zinc/92/96/38/521929638.db2.gz DKRYTHSZRYOUDH-GOSISDBHSA-N 2 2 283.419 2.818 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[N@@H+](C)CCc1ccccn1 ZINC000052203403 521929645 /nfs/dbraw/zinc/92/96/45/521929645.db2.gz DKRYTHSZRYOUDH-GOSISDBHSA-N 2 2 283.419 2.818 10 0 CFAELP CCc1ccccc1[C@@H](C[NH3+])[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052203795 521930050 /nfs/dbraw/zinc/93/00/50/521930050.db2.gz JDORKCYWRFZBPJ-GOSISDBHSA-N 3 2 289.467 2.522 10 0 CFAELP CC[C@H]([NH3+])c1ccccc1OCCCn1cc[nH+]c1 ZINC000049327099 522348667 /nfs/dbraw/zinc/34/86/67/522348667.db2.gz MMFRCAWPVNESSI-AWEZNQCLSA-N 2 2 259.353 2.762 10 0 CFAELP C[N@H+](C1CCOCC1)[C@@]1(C[NH3+])CCC[C@H](C(F)(F)F)C1 ZINC000069383464 522414385 /nfs/dbraw/zinc/41/43/85/522414385.db2.gz UPENCRYPLXLNMH-AAEUAGOBSA-N 2 2 294.361 2.547 10 0 CFAELP C[N@@H+](C1CCOCC1)[C@@]1(C[NH3+])CCC[C@H](C(F)(F)F)C1 ZINC000069383464 522414392 /nfs/dbraw/zinc/41/43/92/522414392.db2.gz UPENCRYPLXLNMH-AAEUAGOBSA-N 2 2 294.361 2.547 10 0 CFAELP C[NH2+][C@H](Cc1[nH+]cc(C)c(OC)c1C)c1ccco1 ZINC000054456033 522475902 /nfs/dbraw/zinc/47/59/02/522475902.db2.gz HZVNIGCLLNMGGM-CYBMUJFWSA-N 2 2 260.337 2.803 10 0 CFAELP CC[C@H]([NH2+]CC[NH+]1CCCCC1)c1ccc(O)cc1 ZINC000049574490 522590989 /nfs/dbraw/zinc/59/09/89/522590989.db2.gz KWANVRVRLRWVEO-INIZCTEOSA-N 2 2 262.397 2.919 10 0 CFAELP C[N@H+](Cc1ccc(C[NH2+]C(C)(C)C)o1)C1CC[NH+](C)CC1 ZINC000052419830 523220047 /nfs/dbraw/zinc/22/00/47/523220047.db2.gz KQJMGVMXBDLGPB-UHFFFAOYSA-N 3 2 293.455 2.694 10 0 CFAELP C[N@@H+](Cc1ccc(C[NH2+]C(C)(C)C)o1)C1CC[NH+](C)CC1 ZINC000052419830 523220051 /nfs/dbraw/zinc/22/00/51/523220051.db2.gz KQJMGVMXBDLGPB-UHFFFAOYSA-N 3 2 293.455 2.694 10 0 CFAELP C[N@H+](Cc1cccc(Cl)c1)Cc1cc[nH+]c(NN)c1 ZINC000052719379 523302592 /nfs/dbraw/zinc/30/25/92/523302592.db2.gz PYCBPFDHJWBYMT-UHFFFAOYSA-N 2 2 276.771 2.653 10 0 CFAELP C[N@@H+](Cc1cccc(Cl)c1)Cc1cc[nH+]c(NN)c1 ZINC000052719379 523302600 /nfs/dbraw/zinc/30/26/00/523302600.db2.gz PYCBPFDHJWBYMT-UHFFFAOYSA-N 2 2 276.771 2.653 10 0 CFAELP CC[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)CCC[NH2+]1 ZINC000051017753 523332777 /nfs/dbraw/zinc/33/27/77/523332777.db2.gz OWQQOXKSYAWNDM-CQSZACIVSA-N 2 2 268.351 2.929 10 0 CFAELP CC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)CCC[NH2+]1 ZINC000051017753 523332788 /nfs/dbraw/zinc/33/27/88/523332788.db2.gz OWQQOXKSYAWNDM-CQSZACIVSA-N 2 2 268.351 2.929 10 0 CFAELP C[N@H+](Cc1ccco1)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181561 523437217 /nfs/dbraw/zinc/43/72/17/523437217.db2.gz LWYKKUIMKOIGJF-UHFFFAOYSA-N 2 2 294.439 2.896 10 0 CFAELP C[N@@H+](Cc1ccco1)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181561 523437225 /nfs/dbraw/zinc/43/72/25/523437225.db2.gz LWYKKUIMKOIGJF-UHFFFAOYSA-N 2 2 294.439 2.896 10 0 CFAELP CC[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596579 523924987 /nfs/dbraw/zinc/92/49/87/523924987.db2.gz BVJGPDCPPRTFLP-JSGCOSHPSA-N 2 2 250.386 2.734 10 0 CFAELP CC[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596579 523924991 /nfs/dbraw/zinc/92/49/91/523924991.db2.gz BVJGPDCPPRTFLP-JSGCOSHPSA-N 2 2 250.386 2.734 10 0 CFAELP COc1ccc(C[N@H+](C)[C@@H](C)C[NH2+]C(C)C)cc1 ZINC000052541540 524009733 /nfs/dbraw/zinc/00/97/33/524009733.db2.gz YETNYWLTRRSSTB-ZDUSSCGKSA-N 2 2 250.386 2.514 10 0 CFAELP COc1ccc(C[N@@H+](C)[C@@H](C)C[NH2+]C(C)C)cc1 ZINC000052541540 524009739 /nfs/dbraw/zinc/00/97/39/524009739.db2.gz YETNYWLTRRSSTB-ZDUSSCGKSA-N 2 2 250.386 2.514 10 0 CFAELP C[C@H](CC[NH+](C)C)[NH2+]Cc1nc2ccccc2s1 ZINC000049557046 524165576 /nfs/dbraw/zinc/16/55/76/524165576.db2.gz QWFWYXXZYFMWIF-LLVKDONJSA-N 2 2 263.410 2.726 10 0 CFAELP C[C@H]1CCC[C@@](C[NH2+]CC[C@@H]2CCCC[N@@H+]2C)([NH+](C)C)C1 ZINC000052205803 524170325 /nfs/dbraw/zinc/17/03/25/524170325.db2.gz AWDWVTMSBAZWDL-OKZBNKHCSA-N 3 2 295.515 2.961 10 0 CFAELP C[C@H]1CCC[C@@](C[NH2+]CC[C@@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000052205803 524170335 /nfs/dbraw/zinc/17/03/35/524170335.db2.gz AWDWVTMSBAZWDL-OKZBNKHCSA-N 3 2 295.515 2.961 10 0 CFAELP C[C@@H]1CCC[C@](C[NH2+]CCC[NH+]2CCCC2)([NH+](C)C)C1 ZINC000049332644 524431385 /nfs/dbraw/zinc/43/13/85/524431385.db2.gz MNMHDUBUNPFRFQ-SJORKVTESA-N 3 2 281.488 2.572 10 0 CFAELP C[C@@H](CC[NH2+]C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000052416640 524499396 /nfs/dbraw/zinc/49/93/96/524499396.db2.gz RVRSKBKMEPOXID-NSHDSACASA-N 2 2 250.411 2.637 10 0 CFAELP C[C@@H](CC[NH2+]C1CC1)[N@H+]1CCc2sccc2C1 ZINC000052416640 524499404 /nfs/dbraw/zinc/49/94/04/524499404.db2.gz RVRSKBKMEPOXID-NSHDSACASA-N 2 2 250.411 2.637 10 0 CFAELP C[C@@H](C[NH2+]CCCOc1ccccc1)[NH+]1CCCCC1 ZINC000061815770 524738054 /nfs/dbraw/zinc/73/80/54/524738054.db2.gz VDVCFIQYUAFAOP-INIZCTEOSA-N 2 2 276.424 2.920 10 0 CFAELP C[C@@H]1C[NH+](Cc2occc2C[NH2+]C(C)(C)C)C[C@@H](C)O1 ZINC000052380309 525039496 /nfs/dbraw/zinc/03/94/96/525039496.db2.gz KDHIPDNWNMYDDY-CHWSQXEVSA-N 2 2 280.412 2.777 10 0 CFAELP COc1ccc([C@@H](C)[NH2+][C@H](C[NH+](C)C)C(C)C)cc1 ZINC000049195846 525164733 /nfs/dbraw/zinc/16/47/33/525164733.db2.gz GIGIULULWVURFH-CZUORRHYSA-N 2 2 264.413 2.932 10 0 CFAELP COc1cccc(C[N@H+](C)[C@H](C)C[NH2+]C(C)C)c1 ZINC000052372870 525919015 /nfs/dbraw/zinc/91/90/15/525919015.db2.gz NQFDXVJSYJCZIT-CYBMUJFWSA-N 2 2 250.386 2.514 10 0 CFAELP COc1cccc(C[N@@H+](C)[C@H](C)C[NH2+]C(C)C)c1 ZINC000052372870 525919023 /nfs/dbraw/zinc/91/90/23/525919023.db2.gz NQFDXVJSYJCZIT-CYBMUJFWSA-N 2 2 250.386 2.514 10 0 CFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000192037676 526077432 /nfs/dbraw/zinc/07/74/32/526077432.db2.gz KQERRVWABFLLLL-GASCZTMLSA-N 2 2 285.391 2.790 10 0 CFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000192037676 526077441 /nfs/dbraw/zinc/07/74/41/526077441.db2.gz KQERRVWABFLLLL-GASCZTMLSA-N 2 2 285.391 2.790 10 0 CFAELP Cc1oc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C[NH2+]CC(C)C ZINC000052380348 526773014 /nfs/dbraw/zinc/77/30/14/526773014.db2.gz JFCQLMSMPCKITG-OKILXGFUSA-N 2 2 294.439 2.943 10 0 CFAELP Cc1oc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C[NH2+]CC(C)C ZINC000052380348 526773019 /nfs/dbraw/zinc/77/30/19/526773019.db2.gz JFCQLMSMPCKITG-OKILXGFUSA-N 2 2 294.439 2.943 10 0 CFAELP [NH3+]CCC[N@H+](CCCn1cc[nH+]c1)C1CCCCCC1 ZINC000049327444 527178396 /nfs/dbraw/zinc/17/83/96/527178396.db2.gz ACKAVDMJBLENAW-UHFFFAOYSA-N 3 2 278.444 2.647 10 0 CFAELP [NH3+]CCC[N@@H+](CCCn1cc[nH+]c1)C1CCCCCC1 ZINC000049327444 527178401 /nfs/dbraw/zinc/17/84/01/527178401.db2.gz ACKAVDMJBLENAW-UHFFFAOYSA-N 3 2 278.444 2.647 10 0 CFAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cs1 ZINC000052482556 527265260 /nfs/dbraw/zinc/26/52/60/527265260.db2.gz XIDRBGZYZSKFEA-YPMHNXCESA-N 2 2 265.426 2.756 10 0 CFAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cs1 ZINC000052482556 527265266 /nfs/dbraw/zinc/26/52/66/527265266.db2.gz XIDRBGZYZSKFEA-YPMHNXCESA-N 2 2 265.426 2.756 10 0 CFAELP Nc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000069400406 527482271 /nfs/dbraw/zinc/48/22/71/527482271.db2.gz PWMYUYLGZXJVIP-UHFFFAOYSA-N 2 2 291.414 2.858 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000414347958 527807533 /nfs/dbraw/zinc/80/75/33/527807533.db2.gz RMLDJNXPFHNJHS-DGCLKSJQSA-N 2 2 260.372 2.884 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000414347958 527807539 /nfs/dbraw/zinc/80/75/39/527807539.db2.gz RMLDJNXPFHNJHS-DGCLKSJQSA-N 2 2 260.372 2.884 10 0 CFAELP CCOCC[N@@H+]1CCN(c2cc[nH+]cc2Cl)C[C@H]1CC ZINC000176922486 528755131 /nfs/dbraw/zinc/75/51/31/528755131.db2.gz ZKYRGABOYOHJEJ-CYBMUJFWSA-N 2 2 297.830 2.672 10 0 CFAELP CCOCC[N@H+]1CCN(c2cc[nH+]cc2Cl)C[C@H]1CC ZINC000176922486 528755135 /nfs/dbraw/zinc/75/51/35/528755135.db2.gz ZKYRGABOYOHJEJ-CYBMUJFWSA-N 2 2 297.830 2.672 10 0 CFAELP c1nc(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)co1 ZINC000395113771 574348550 /nfs/dbraw/zinc/34/85/50/574348550.db2.gz BVOGDHWIAONJPS-JQHSSLGASA-N 2 2 297.402 2.675 10 0 CFAELP c1nc(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)co1 ZINC000395113771 574348552 /nfs/dbraw/zinc/34/85/52/574348552.db2.gz BVOGDHWIAONJPS-JQHSSLGASA-N 2 2 297.402 2.675 10 0 CFAELP COc1ccc2cc(C[N@@H+]3CC[C@H]([NH3+])[C@H]3C)ccc2c1 ZINC000261736737 618399414 /nfs/dbraw/zinc/39/94/14/618399414.db2.gz LPRDARLRFORZAT-PXAZEXFGSA-N 2 2 270.376 2.770 10 0 CFAELP COc1ccc2cc(C[N@H+]3CC[C@H]([NH3+])[C@H]3C)ccc2c1 ZINC000261736737 618399420 /nfs/dbraw/zinc/39/94/20/618399420.db2.gz LPRDARLRFORZAT-PXAZEXFGSA-N 2 2 270.376 2.770 10 0 CFAELP c1cn(-c2ccc(N3CCC([NH2+]C4CC4)CC3)cc2)c[nH+]1 ZINC000063834693 623389321 /nfs/dbraw/zinc/38/93/21/623389321.db2.gz QFHDSCWSJYSSMZ-UHFFFAOYSA-N 2 2 282.391 2.593 10 0 CFAELP C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1cccc(Br)c1 ZINC000096976861 185144921 /nfs/dbraw/zinc/14/49/21/185144921.db2.gz ZTWQRJNGBLEKGJ-DGCLKSJQSA-N 2 2 283.213 2.791 10 0 CFAELP C[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1cccc(Br)c1 ZINC000096976861 185144923 /nfs/dbraw/zinc/14/49/23/185144923.db2.gz ZTWQRJNGBLEKGJ-DGCLKSJQSA-N 2 2 283.213 2.791 10 0 CFAELP C[C@H]([NH3+])c1c[nH+]c(Cc2cccc(Br)c2)[nH]1 ZINC000096978559 185145761 /nfs/dbraw/zinc/14/57/61/185145761.db2.gz JDNPRYILUSTYEK-QMMMGPOBSA-N 2 2 280.169 2.783 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCCN(c2cc(CC)[nH+]c(C)n2)C1 ZINC000302062305 136447133 /nfs/dbraw/zinc/44/71/33/136447133.db2.gz UHHUGPKZGWVCHF-HNNXBMFYSA-N 2 2 299.422 2.948 10 0 CFAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000226019156 539422117 /nfs/dbraw/zinc/42/21/17/539422117.db2.gz DXMCTSIBPOGHBI-GRYCIOLGSA-N 2 2 264.335 2.791 10 0 CFAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000226019156 539422119 /nfs/dbraw/zinc/42/21/19/539422119.db2.gz DXMCTSIBPOGHBI-GRYCIOLGSA-N 2 2 264.335 2.791 10 0 CFAELP Cc1cccc([C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000157265861 232236658 /nfs/dbraw/zinc/23/66/58/232236658.db2.gz LMYLNSITMRIDLX-ZDUSSCGKSA-N 2 2 272.396 2.645 10 0 CFAELP C[NH+](C)[C@H](C[NH3+])c1ccc(Cl)c(Br)c1 ZINC000137145236 347912116 /nfs/dbraw/zinc/91/21/16/347912116.db2.gz DQFDBMBIWYLSLG-SNVBAGLBSA-N 2 2 277.593 2.664 10 0 CFAELP C[C@@H]1C[NH2+]C2(CC[NH+](Cc3ccccc3)CC2)S1 ZINC000159136765 348010351 /nfs/dbraw/zinc/01/03/51/348010351.db2.gz AOSARQWAIAKARJ-CYBMUJFWSA-N 2 2 262.422 2.704 10 0 CFAELP CC[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1nccs1 ZINC000086819162 179348679 /nfs/dbraw/zinc/34/86/79/179348679.db2.gz DHURKFKOAMTWBG-NWDGAFQWSA-N 2 2 253.415 2.668 10 0 CFAELP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1nccs1 ZINC000086819162 179348680 /nfs/dbraw/zinc/34/86/80/179348680.db2.gz DHURKFKOAMTWBG-NWDGAFQWSA-N 2 2 253.415 2.668 10 0 CFAELP CCC[N@@H+]1CCC[C@@H](Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC000086838379 179352003 /nfs/dbraw/zinc/35/20/03/179352003.db2.gz DBDVPYWGIDOIML-CQSZACIVSA-N 2 2 276.428 2.824 10 0 CFAELP CCC[N@H+]1CCC[C@@H](Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC000086838379 179352007 /nfs/dbraw/zinc/35/20/07/179352007.db2.gz DBDVPYWGIDOIML-CQSZACIVSA-N 2 2 276.428 2.824 10 0 CFAELP Cc1cc[nH+]c(N[C@@H](C)C[C@H](C)[NH3+])c1Br ZINC000235503294 348228114 /nfs/dbraw/zinc/22/81/14/348228114.db2.gz UMCPWFLSAHJUCK-IUCAKERBSA-N 2 2 272.190 2.690 10 0 CFAELP Cc1cc[nH+]c(NCC2CC[NH2+]CC2)c1Br ZINC000235931702 348230190 /nfs/dbraw/zinc/23/01/90/348230190.db2.gz QQIMVVONBFSMHL-UHFFFAOYSA-N 2 2 284.201 2.564 10 0 CFAELP C[C@@H]1[C@H]([NH2+]C[C@H](O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000309731536 348407248 /nfs/dbraw/zinc/40/72/48/348407248.db2.gz PILNQKRHLNLNRZ-OIISXLGYSA-N 2 2 290.451 2.646 10 0 CFAELP C[C@@H]1[C@H]([NH2+]C[C@H](O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000309731536 348407253 /nfs/dbraw/zinc/40/72/53/348407253.db2.gz PILNQKRHLNLNRZ-OIISXLGYSA-N 2 2 290.451 2.646 10 0 CFAELP CC(C)[NH+]1CCC2(CC1)[NH2+][C@@H](C)Cc1ccsc12 ZINC000584883782 348726317 /nfs/dbraw/zinc/72/63/17/348726317.db2.gz INUVOOCMVFQGOO-LBPRGKRZSA-N 2 2 264.438 2.982 10 0 CFAELP CC1(C[NH2+]C[C@H]2Cc3ccccc3C[NH2+]2)CCCC1 ZINC000104433610 186000301 /nfs/dbraw/zinc/00/03/01/186000301.db2.gz LAFYPBIWZUZECS-MRXNPFEDSA-N 2 2 258.409 2.871 10 0 CFAELP CC[N@@H+]1CCO[C@@H](C[NH2+]CC2CCC(C(C)C)CC2)C1 ZINC000312485812 539862787 /nfs/dbraw/zinc/86/27/87/539862787.db2.gz VDTKOHDOSICDMO-JCYILVPMSA-N 2 2 282.472 2.759 10 0 CFAELP CC[N@H+]1CCO[C@@H](C[NH2+]CC2CCC(C(C)C)CC2)C1 ZINC000312485812 539862790 /nfs/dbraw/zinc/86/27/90/539862790.db2.gz VDTKOHDOSICDMO-JCYILVPMSA-N 2 2 282.472 2.759 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1cc2ccccc2cn1 ZINC000616615798 352385686 /nfs/dbraw/zinc/38/56/86/352385686.db2.gz BJTKWZLHYUNSPH-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1cc2ccccc2cn1 ZINC000616615798 352385688 /nfs/dbraw/zinc/38/56/88/352385688.db2.gz BJTKWZLHYUNSPH-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000630552628 355111153 /nfs/dbraw/zinc/11/11/53/355111153.db2.gz FPGJDCDIAGFKLO-OCCSQVGLSA-N 2 2 255.365 2.574 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000675054538 540355151 /nfs/dbraw/zinc/35/51/51/540355151.db2.gz OATQMRJWKBUNAI-OLZOCXBDSA-N 2 2 283.213 2.933 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000675054538 540355152 /nfs/dbraw/zinc/35/51/52/540355152.db2.gz OATQMRJWKBUNAI-OLZOCXBDSA-N 2 2 283.213 2.933 10 0 CFAELP CC[C@@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)CC[C@H]1[NH3+] ZINC000251757982 540550620 /nfs/dbraw/zinc/55/06/20/540550620.db2.gz LTHWFVBLBLUJPT-MWLCHTKSSA-N 2 2 273.302 2.664 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000229641281 540774804 /nfs/dbraw/zinc/77/48/04/540774804.db2.gz YBSHPZDZTWXXTO-HNNXBMFYSA-N 2 2 257.381 2.742 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000229641281 540774807 /nfs/dbraw/zinc/77/48/07/540774807.db2.gz YBSHPZDZTWXXTO-HNNXBMFYSA-N 2 2 257.381 2.742 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnn2ccccc12 ZINC000180130523 189238438 /nfs/dbraw/zinc/23/84/38/189238438.db2.gz YQKKQIUETONAJQ-INIZCTEOSA-N 2 2 295.390 2.504 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnn2ccccc12 ZINC000180130523 189238439 /nfs/dbraw/zinc/23/84/39/189238439.db2.gz YQKKQIUETONAJQ-INIZCTEOSA-N 2 2 295.390 2.504 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000180132547 189238485 /nfs/dbraw/zinc/23/84/85/189238485.db2.gz DYKKBMOKVLUEBS-CQSZACIVSA-N 2 2 261.394 2.918 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccsc1 ZINC000180132547 189238486 /nfs/dbraw/zinc/23/84/86/189238486.db2.gz DYKKBMOKVLUEBS-CQSZACIVSA-N 2 2 261.394 2.918 10 0 CFAELP CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)C ZINC000180574711 189263150 /nfs/dbraw/zinc/26/31/50/189263150.db2.gz WJNFBMZHFALNQI-KGLIPLIRSA-N 2 2 291.443 2.511 10 0 CFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)CC(C)C)nc[nH+]1 ZINC000180576202 189263173 /nfs/dbraw/zinc/26/31/73/189263173.db2.gz HWHTXVODSHUGDO-KBPBESRZSA-N 2 2 291.443 2.511 10 0 CFAELP Cc1cnc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)s1 ZINC000180532672 189260738 /nfs/dbraw/zinc/26/07/38/189260738.db2.gz GURLVEZRCLTBAK-ZDUSSCGKSA-N 2 2 276.409 2.621 10 0 CFAELP Cc1cnc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)s1 ZINC000180532672 189260739 /nfs/dbraw/zinc/26/07/39/189260739.db2.gz GURLVEZRCLTBAK-ZDUSSCGKSA-N 2 2 276.409 2.621 10 0 CFAELP C[NH+](C)C[C@H]([NH2+]C1CCSCC1)c1ccccc1 ZINC000035120943 372541320 /nfs/dbraw/zinc/54/13/20/372541320.db2.gz GHJLFTZVLJGAHI-HNNXBMFYSA-N 2 2 264.438 2.775 10 0 CFAELP CCCc1cc(N2CC[NH2+]CC2)nc(-c2ccc(C)cc2)[nH+]1 ZINC000058047223 373625839 /nfs/dbraw/zinc/62/58/39/373625839.db2.gz GWSPLHQTDHEJLO-UHFFFAOYSA-N 2 2 296.418 2.814 10 0 CFAELP COCC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000061374973 373715933 /nfs/dbraw/zinc/71/59/33/373715933.db2.gz PRSXTSPBHIMZEQ-LSDHHAIUSA-N 2 2 270.461 2.759 10 0 CFAELP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000061374973 373715938 /nfs/dbraw/zinc/71/59/38/373715938.db2.gz PRSXTSPBHIMZEQ-LSDHHAIUSA-N 2 2 270.461 2.759 10 0 CFAELP C[C@H]([NH3+])[C@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000090802018 375029657 /nfs/dbraw/zinc/02/96/57/375029657.db2.gz YTNKHVPJEMHARS-UWVGGRQHSA-N 2 2 273.302 2.664 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000104386607 375780616 /nfs/dbraw/zinc/78/06/16/375780616.db2.gz NBUXVEBARLUTAW-CQSZACIVSA-N 2 2 255.365 2.548 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccnc2ccccc12 ZINC000104386607 375780621 /nfs/dbraw/zinc/78/06/21/375780621.db2.gz NBUXVEBARLUTAW-CQSZACIVSA-N 2 2 255.365 2.548 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCOC(C)C)C1 ZINC000105922474 375793915 /nfs/dbraw/zinc/79/39/15/375793915.db2.gz GNVHRHQKVHVMNX-HNNXBMFYSA-N 2 2 279.428 2.898 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCOC(C)C)C1 ZINC000105922474 375793919 /nfs/dbraw/zinc/79/39/19/375793919.db2.gz GNVHRHQKVHVMNX-HNNXBMFYSA-N 2 2 279.428 2.898 10 0 CFAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000113271749 376004886 /nfs/dbraw/zinc/00/48/86/376004886.db2.gz NPHHQVWKQMDAMM-MAUKXSAKSA-N 2 2 296.418 2.541 10 0 CFAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000113271749 376004888 /nfs/dbraw/zinc/00/48/88/376004888.db2.gz NPHHQVWKQMDAMM-MAUKXSAKSA-N 2 2 296.418 2.541 10 0 CFAELP C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000121449627 376834565 /nfs/dbraw/zinc/83/45/65/376834565.db2.gz JENBQEHYCKRNID-XEZPLFJOSA-N 2 2 271.364 2.700 10 0 CFAELP C[C@]1(CNc2cc(C(F)(F)F)cc[nH+]2)CCC[NH2+]C1 ZINC000129389859 377419257 /nfs/dbraw/zinc/41/92/57/377419257.db2.gz NBVFVAMFTYBFSO-LBPRGKRZSA-N 2 2 273.302 2.902 10 0 CFAELP CCO[C@@H]1C[C@H]([N@H+](C)CCn2cc[nH+]c2)C12CCCC2 ZINC000131902438 377775159 /nfs/dbraw/zinc/77/51/59/377775159.db2.gz GIHLQHNSJYYQGX-LSDHHAIUSA-N 2 2 277.412 2.553 10 0 CFAELP CCO[C@@H]1C[C@H]([N@@H+](C)CCn2cc[nH+]c2)C12CCCC2 ZINC000131902438 377775172 /nfs/dbraw/zinc/77/51/72/377775172.db2.gz GIHLQHNSJYYQGX-LSDHHAIUSA-N 2 2 277.412 2.553 10 0 CFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000135065153 378079556 /nfs/dbraw/zinc/07/95/56/378079556.db2.gz NLWCUBHZQYHPMN-RISCZKNCSA-N 2 2 258.369 2.704 10 0 CFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000135065153 378079561 /nfs/dbraw/zinc/07/95/61/378079561.db2.gz NLWCUBHZQYHPMN-RISCZKNCSA-N 2 2 258.369 2.704 10 0 CFAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000151325143 378317813 /nfs/dbraw/zinc/31/78/13/378317813.db2.gz IUZAPUMKRLBQAS-XJKSGUPXSA-N 2 2 296.842 2.837 10 0 CFAELP CC[C@H]1CN(c2[nH+]ccc3ccccc32)CC[C@@H]1[NH3+] ZINC000168737162 379094053 /nfs/dbraw/zinc/09/40/53/379094053.db2.gz MMDHELPYFFXEJH-WFASDCNBSA-N 2 2 255.365 2.798 10 0 CFAELP CCOCC[N@@H+]1CCN(c2cc[nH+]cc2Cl)C[C@@H]1CC ZINC000176922498 380283566 /nfs/dbraw/zinc/28/35/66/380283566.db2.gz ZKYRGABOYOHJEJ-ZDUSSCGKSA-N 2 2 297.830 2.672 10 0 CFAELP CCOCC[N@H+]1CCN(c2cc[nH+]cc2Cl)C[C@@H]1CC ZINC000176922498 380283569 /nfs/dbraw/zinc/28/35/69/380283569.db2.gz ZKYRGABOYOHJEJ-ZDUSSCGKSA-N 2 2 297.830 2.672 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOCCC(C)C ZINC000178335442 380438960 /nfs/dbraw/zinc/43/89/60/380438960.db2.gz GBQPSHZAVCZDID-MRXNPFEDSA-N 2 2 279.428 2.719 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOCCC(C)C ZINC000178335442 380438966 /nfs/dbraw/zinc/43/89/66/380438966.db2.gz GBQPSHZAVCZDID-MRXNPFEDSA-N 2 2 279.428 2.719 10 0 CFAELP Cc1nnc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000180653267 380686406 /nfs/dbraw/zinc/68/64/06/380686406.db2.gz COQYTWDQUUFHGT-NEPJUHHUSA-N 2 2 297.362 2.976 10 0 CFAELP CCO[C@H]1C[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C12CCCC2 ZINC000183191841 381232862 /nfs/dbraw/zinc/23/28/62/381232862.db2.gz WQZFMYUGSAVYJS-CVEARBPZSA-N 2 2 291.439 2.943 10 0 CFAELP CCO[C@H]1C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C12CCCC2 ZINC000183191841 381232866 /nfs/dbraw/zinc/23/28/66/381232866.db2.gz WQZFMYUGSAVYJS-CVEARBPZSA-N 2 2 291.439 2.943 10 0 CFAELP C[C@@H]1CN(c2[nH+]ccc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000382135406 382529370 /nfs/dbraw/zinc/52/93/70/382529370.db2.gz BQYNCKDOUHNJPD-MLGOLLRUSA-N 2 2 255.365 2.656 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(CSC)CC2)C1 ZINC000385326588 382570139 /nfs/dbraw/zinc/57/01/39/382570139.db2.gz STNQIVZSXVNVIA-RUXDESIVSA-N 2 2 256.459 2.592 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+]C2CCC(CSC)CC2)C1 ZINC000385326588 382570143 /nfs/dbraw/zinc/57/01/43/382570143.db2.gz STNQIVZSXVNVIA-RUXDESIVSA-N 2 2 256.459 2.592 10 0 CFAELP [NH3+]CCCC[C@@H]([NH3+])c1cc(Cl)c(O)c(Cl)c1 ZINC000575439470 382771514 /nfs/dbraw/zinc/77/15/14/382771514.db2.gz NDERGELLFJBIKY-SNVBAGLBSA-N 2 2 263.168 2.828 10 0 CFAELP C[N@H+](Cc1csc(-c2ccco2)n1)[C@H]1CCC[NH2+]CC1 ZINC000231454530 382865004 /nfs/dbraw/zinc/86/50/04/382865004.db2.gz MGMAXTWAHPCIQF-ZDUSSCGKSA-N 2 2 291.420 2.977 10 0 CFAELP C[N@@H+](Cc1csc(-c2ccco2)n1)[C@H]1CCC[NH2+]CC1 ZINC000231454530 382865005 /nfs/dbraw/zinc/86/50/05/382865005.db2.gz MGMAXTWAHPCIQF-ZDUSSCGKSA-N 2 2 291.420 2.977 10 0 CFAELP [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000237883799 382973037 /nfs/dbraw/zinc/97/30/37/382973037.db2.gz QZFLWYKFHUUKSS-OLZOCXBDSA-N 2 2 297.358 2.940 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000247253738 383156753 /nfs/dbraw/zinc/15/67/53/383156753.db2.gz UDODRAXTZCNRKL-HUUCEWRRSA-N 2 2 277.412 2.652 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@@H+]1CCSCc1ccccc1 ZINC000261743640 383551094 /nfs/dbraw/zinc/55/10/94/383551094.db2.gz BPJWWQWMRHOKQM-OAHLLOKOSA-N 2 2 264.438 2.733 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@H+]1CCSCc1ccccc1 ZINC000261743640 383551096 /nfs/dbraw/zinc/55/10/96/383551096.db2.gz BPJWWQWMRHOKQM-OAHLLOKOSA-N 2 2 264.438 2.733 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3coc(-c4cccs4)n3)C[C@@H]12 ZINC000261664814 383539232 /nfs/dbraw/zinc/53/92/32/383539232.db2.gz FHZDXHDCZWUHBT-RAIGVLPGSA-N 2 2 289.404 2.572 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3coc(-c4cccs4)n3)C[C@@H]12 ZINC000261664814 383539237 /nfs/dbraw/zinc/53/92/37/383539237.db2.gz FHZDXHDCZWUHBT-RAIGVLPGSA-N 2 2 289.404 2.572 10 0 CFAELP Cc1cc(Cl)cc(C)c1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261979037 383590149 /nfs/dbraw/zinc/59/01/49/383590149.db2.gz JASLCAVAHKDSOW-BXUZGUMPSA-N 2 2 252.789 2.736 10 0 CFAELP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261979037 383590150 /nfs/dbraw/zinc/59/01/50/383590150.db2.gz JASLCAVAHKDSOW-BXUZGUMPSA-N 2 2 252.789 2.736 10 0 CFAELP COc1ccc(Cl)c(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000262068800 383602788 /nfs/dbraw/zinc/60/27/88/383602788.db2.gz BVDJNRYJRJJKKG-ZDUSSCGKSA-N 2 2 282.815 2.923 10 0 CFAELP COc1ccc(Cl)c(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000262068800 383602793 /nfs/dbraw/zinc/60/27/93/383602793.db2.gz BVDJNRYJRJJKKG-ZDUSSCGKSA-N 2 2 282.815 2.923 10 0 CFAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000247252397 131102214 /nfs/dbraw/zinc/10/22/14/131102214.db2.gz NPHHQVWKQMDAMM-QAPCUYQASA-N 2 2 296.418 2.541 10 0 CFAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000247252397 131102215 /nfs/dbraw/zinc/10/22/15/131102215.db2.gz NPHHQVWKQMDAMM-QAPCUYQASA-N 2 2 296.418 2.541 10 0 CFAELP [NH3+][C@H]1CCC[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000335583401 393681224 /nfs/dbraw/zinc/68/12/24/393681224.db2.gz XMHGAKIMWAUZPD-UWVGGRQHSA-N 2 2 259.275 2.782 10 0 CFAELP CC1(C)CC[C@@H](C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)O1 ZINC000248547457 393911205 /nfs/dbraw/zinc/91/12/05/393911205.db2.gz GFKRTTTZEKBFIJ-GJZGRUSLSA-N 2 2 289.423 2.773 10 0 CFAELP CC1(C)CC[C@@H](C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)O1 ZINC000248547457 393911208 /nfs/dbraw/zinc/91/12/08/393911208.db2.gz GFKRTTTZEKBFIJ-GJZGRUSLSA-N 2 2 289.423 2.773 10 0 CFAELP C(C[NH+]1CCCCC1)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000246668037 393880134 /nfs/dbraw/zinc/88/01/34/393880134.db2.gz FCZYCQKWBRRHIC-HZPDHXFCSA-N 2 2 266.429 2.506 10 0 CFAELP C(C[NH+]1CCCCC1)C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000246668037 393880138 /nfs/dbraw/zinc/88/01/38/393880138.db2.gz FCZYCQKWBRRHIC-HZPDHXFCSA-N 2 2 266.429 2.506 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C12CCC2 ZINC000246209944 393854010 /nfs/dbraw/zinc/85/40/10/393854010.db2.gz KBZKYVIYAWTIBW-LVQVYYBASA-N 2 2 280.456 2.652 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)C12CCC2 ZINC000246209944 393854013 /nfs/dbraw/zinc/85/40/13/393854013.db2.gz KBZKYVIYAWTIBW-LVQVYYBASA-N 2 2 280.456 2.652 10 0 CFAELP CC[NH2+][C@@H](C)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000043817833 134907288 /nfs/dbraw/zinc/90/72/88/134907288.db2.gz ISYMUPQCHJZFKH-INIZCTEOSA-N 2 2 275.440 2.505 10 0 CFAELP CCOc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000185222967 543046947 /nfs/dbraw/zinc/04/69/47/543046947.db2.gz KPEATHXHSBCYDJ-INIZCTEOSA-N 2 2 285.391 2.946 10 0 CFAELP CCOc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000185222967 543046949 /nfs/dbraw/zinc/04/69/49/543046949.db2.gz KPEATHXHSBCYDJ-INIZCTEOSA-N 2 2 285.391 2.946 10 0 CFAELP COc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000188397771 543061847 /nfs/dbraw/zinc/06/18/47/543061847.db2.gz MFQNPXIHBSZAKB-HNNXBMFYSA-N 2 2 271.364 2.556 10 0 CFAELP C=Cn1c(C[NH+]2CCOCC2)cc2c1[C@@H](C)C[N@H+](C)[C@@H]2C ZINC000196223987 397612397 /nfs/dbraw/zinc/61/23/97/397612397.db2.gz QQAZTDNFDBEHRQ-UONOGXRCSA-N 2 2 289.423 2.531 10 0 CFAELP C=Cn1c(C[NH+]2CCOCC2)cc2c1[C@@H](C)C[N@@H+](C)[C@@H]2C ZINC000196223987 397612401 /nfs/dbraw/zinc/61/24/01/397612401.db2.gz QQAZTDNFDBEHRQ-UONOGXRCSA-N 2 2 289.423 2.531 10 0 CFAELP COc1ccccc1[C@@H](C[NH3+])[N@H+](C)CC(C)(C)C ZINC000020225782 171089664 /nfs/dbraw/zinc/08/96/64/171089664.db2.gz AQSAARFSGIFQRC-CYBMUJFWSA-N 2 2 250.386 2.673 10 0 CFAELP COc1ccccc1[C@@H](C[NH3+])[N@@H+](C)CC(C)(C)C ZINC000020225782 171089666 /nfs/dbraw/zinc/08/96/66/171089666.db2.gz AQSAARFSGIFQRC-CYBMUJFWSA-N 2 2 250.386 2.673 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+](C)CC(C)(C)C)cc1 ZINC000020225883 171090088 /nfs/dbraw/zinc/09/00/88/171090088.db2.gz ZNNHGZMZQBHXCB-AWEZNQCLSA-N 2 2 250.386 2.673 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)CC(C)(C)C)cc1 ZINC000020225883 171090089 /nfs/dbraw/zinc/09/00/89/171090089.db2.gz ZNNHGZMZQBHXCB-AWEZNQCLSA-N 2 2 250.386 2.673 10 0 CFAELP COc1ccccc1C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000020226859 171092328 /nfs/dbraw/zinc/09/23/28/171092328.db2.gz XQGPXBUFKWWBNP-UHFFFAOYSA-N 2 2 262.397 2.789 10 0 CFAELP COc1ccccc1C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000020226859 171092330 /nfs/dbraw/zinc/09/23/30/171092330.db2.gz XQGPXBUFKWWBNP-UHFFFAOYSA-N 2 2 262.397 2.789 10 0 CFAELP CCCCCC[C@](C)(C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020362572 171161855 /nfs/dbraw/zinc/16/18/55/171161855.db2.gz WYOFIUFFSPGFRM-QLFBSQMISA-N 2 2 256.434 2.783 10 0 CFAELP CCCCCC[C@](C)(C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020362572 171161856 /nfs/dbraw/zinc/16/18/56/171161856.db2.gz WYOFIUFFSPGFRM-QLFBSQMISA-N 2 2 256.434 2.783 10 0 CFAELP CC(C)c1ccc(OC[C@@H](C[NH3+])[NH+]2CCCC2)cc1 ZINC000020400564 171181392 /nfs/dbraw/zinc/18/13/92/171181392.db2.gz RMDNSFHUIGKEBU-OAHLLOKOSA-N 2 2 262.397 2.612 10 0 CFAELP CC(C)[N@H+](C)[C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000022168483 171366813 /nfs/dbraw/zinc/36/68/13/171366813.db2.gz BXMISTFDHCRMIW-GFCCVEGCSA-N 2 2 289.192 2.928 10 0 CFAELP CC(C)[N@@H+](C)[C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000022168483 171366814 /nfs/dbraw/zinc/36/68/14/171366814.db2.gz BXMISTFDHCRMIW-GFCCVEGCSA-N 2 2 289.192 2.928 10 0 CFAELP COc1ccc2cc([C@@H](C[NH3+])[NH+]3CCCC3)ccc2c1 ZINC000022171624 171368215 /nfs/dbraw/zinc/36/82/15/171368215.db2.gz PSPUHFINNBCEFH-QGZVFWFLSA-N 2 2 270.376 2.944 10 0 CFAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000022219535 171377143 /nfs/dbraw/zinc/37/71/43/171377143.db2.gz MKKOYHHSGUEABD-KRWDZBQOSA-N 2 2 286.423 2.994 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+](C)C(C)C)cc1OC(F)F ZINC000022222814 171379188 /nfs/dbraw/zinc/37/91/88/171379188.db2.gz AAEPHWCPPOCSHA-NSHDSACASA-N 2 2 288.338 2.637 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)C(C)C)cc1OC(F)F ZINC000022222814 171379190 /nfs/dbraw/zinc/37/91/90/171379190.db2.gz AAEPHWCPPOCSHA-NSHDSACASA-N 2 2 288.338 2.637 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)C(C)C)cc1OC(F)F ZINC000022222812 171379374 /nfs/dbraw/zinc/37/93/74/171379374.db2.gz AAEPHWCPPOCSHA-LLVKDONJSA-N 2 2 288.338 2.637 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)C(C)C)cc1OC(F)F ZINC000022222812 171379375 /nfs/dbraw/zinc/37/93/75/171379375.db2.gz AAEPHWCPPOCSHA-LLVKDONJSA-N 2 2 288.338 2.637 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(Cl)ccc1F ZINC000035503784 172237169 /nfs/dbraw/zinc/23/71/69/172237169.db2.gz YABGKMMWEKCUFZ-LLVKDONJSA-N 2 2 253.708 2.705 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(F)cc1Cl ZINC000035503938 172237499 /nfs/dbraw/zinc/23/74/99/172237499.db2.gz OFKIIUDQSMJKCM-LLVKDONJSA-N 2 2 253.708 2.705 10 0 CFAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)Cc1c(F)cccc1Cl ZINC000035503700 172237762 /nfs/dbraw/zinc/23/77/62/172237762.db2.gz PDAOJPMLHFXYFE-SECBINFHSA-N 2 2 267.735 2.575 10 0 CFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Br)o1 ZINC000035570011 172265603 /nfs/dbraw/zinc/26/56/03/172265603.db2.gz TVSDAJVBSFVELY-MRVPVSSYSA-N 2 2 284.157 2.659 10 0 CFAELP C[N@H+](Cc1ccsc1)[C@H](C[NH3+])Cc1ccccc1 ZINC000035718775 172373578 /nfs/dbraw/zinc/37/35/78/172373578.db2.gz WKSLKNHMWVSPSA-HNNXBMFYSA-N 2 2 260.406 2.750 10 0 CFAELP C[N@@H+](Cc1ccsc1)[C@H](C[NH3+])Cc1ccccc1 ZINC000035718775 172373579 /nfs/dbraw/zinc/37/35/79/172373579.db2.gz WKSLKNHMWVSPSA-HNNXBMFYSA-N 2 2 260.406 2.750 10 0 CFAELP Cc1cccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657486766 413671989 /nfs/dbraw/zinc/67/19/89/413671989.db2.gz JITKZBPGHDEEBN-ZDUSSCGKSA-N 2 2 255.365 2.989 10 0 CFAELP CCOC1CCC([NH2+][C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000657870072 414016193 /nfs/dbraw/zinc/01/61/93/414016193.db2.gz MXGCHLAYTZYCDC-HWOWSKLDSA-N 2 2 270.461 2.900 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[NH+]2CCCCCC2)c1OC ZINC000038827613 174156349 /nfs/dbraw/zinc/15/63/49/174156349.db2.gz QJJKLPLEHSDGNV-CQSZACIVSA-N 2 2 278.396 2.580 10 0 CFAELP C[NH2+]C[C@H](c1ccc(OC(C)C)cc1)[NH+]1CCCC1 ZINC000039795619 174173025 /nfs/dbraw/zinc/17/30/25/174173025.db2.gz CDSJIQZLKCDFND-MRXNPFEDSA-N 2 2 262.397 2.830 10 0 CFAELP CC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1ccc(O)cc1 ZINC000040502241 174297956 /nfs/dbraw/zinc/29/79/56/174297956.db2.gz VDSOLDSNYHQHBR-HOCLYGCPSA-N 2 2 262.397 2.917 10 0 CFAELP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1ccc(O)cc1 ZINC000040502241 174297958 /nfs/dbraw/zinc/29/79/58/174297958.db2.gz VDSOLDSNYHQHBR-HOCLYGCPSA-N 2 2 262.397 2.917 10 0 CFAELP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000040592266 174347587 /nfs/dbraw/zinc/34/75/87/174347587.db2.gz NCVLAXYAXLFUEB-QWHCGFSZSA-N 2 2 280.387 2.827 10 0 CFAELP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000040592266 174347589 /nfs/dbraw/zinc/34/75/89/174347589.db2.gz NCVLAXYAXLFUEB-QWHCGFSZSA-N 2 2 280.387 2.827 10 0 CFAELP Cc1cc([C@H](C)[NH2+]CCc2[nH+]ccn2C)c(C)s1 ZINC000040638961 174362933 /nfs/dbraw/zinc/36/29/33/174362933.db2.gz BEECTLPFNYKMOS-NSHDSACASA-N 2 2 263.410 2.992 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000040639084 174363067 /nfs/dbraw/zinc/36/30/67/174363067.db2.gz YREUHHAEZNKFTO-UHFFFAOYSA-N 2 2 273.355 2.638 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000040639079 174363145 /nfs/dbraw/zinc/36/31/45/174363145.db2.gz ASINOZDJCNHUPK-UHFFFAOYSA-N 2 2 273.355 2.638 10 0 CFAELP c1ccc(CC[N@@H+]2CC[C@@H]([NH2+]CC3CCC3)C2)cc1 ZINC000040671357 174369180 /nfs/dbraw/zinc/36/91/80/174369180.db2.gz SXTFCBGWLVZZGS-QGZVFWFLSA-N 2 2 258.409 2.693 10 0 CFAELP c1ccc(CC[N@H+]2CC[C@@H]([NH2+]CC3CCC3)C2)cc1 ZINC000040671357 174369181 /nfs/dbraw/zinc/36/91/81/174369181.db2.gz SXTFCBGWLVZZGS-QGZVFWFLSA-N 2 2 258.409 2.693 10 0 CFAELP CC(C)[C@H](C)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671337 174369870 /nfs/dbraw/zinc/36/98/70/174369870.db2.gz QMZHNGGRRRKZIK-RDJZCZTQSA-N 2 2 260.425 2.938 10 0 CFAELP CC(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671337 174369871 /nfs/dbraw/zinc/36/98/71/174369871.db2.gz QMZHNGGRRRKZIK-RDJZCZTQSA-N 2 2 260.425 2.938 10 0 CFAELP CCc1cc(N[C@H](C)c2ccc(C[NH3+])cc2)nc[nH+]1 ZINC000040764949 174397811 /nfs/dbraw/zinc/39/78/11/174397811.db2.gz DWMDVIIOIYRXNO-LLVKDONJSA-N 2 2 256.353 2.671 10 0 CFAELP C[C@@H]1CCCC[C@H]1[N@H+](C)C1(C[NH3+])CCSCC1 ZINC000042606765 174818272 /nfs/dbraw/zinc/81/82/72/174818272.db2.gz JMJPLOYGINPYFC-CHWSQXEVSA-N 2 2 256.459 2.721 10 0 CFAELP C[C@@H]1CCCC[C@H]1[N@@H+](C)C1(C[NH3+])CCSCC1 ZINC000042606765 174818273 /nfs/dbraw/zinc/81/82/73/174818273.db2.gz JMJPLOYGINPYFC-CHWSQXEVSA-N 2 2 256.459 2.721 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000042955837 174923918 /nfs/dbraw/zinc/92/39/18/174923918.db2.gz GUECEAOUKDCVQS-OLZOCXBDSA-N 2 2 294.196 2.972 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[NH+](C)C ZINC000043020109 174944828 /nfs/dbraw/zinc/94/48/28/174944828.db2.gz AFBIGWMJOSWPDC-VXGBXAGGSA-N 2 2 271.202 2.789 10 0 CFAELP CCC(CC)[N@H+](CCOC)[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336227 175011875 /nfs/dbraw/zinc/01/18/75/175011875.db2.gz PIGFGEXZKFGNGM-IUODEOHRSA-N 2 2 268.401 2.805 10 0 CFAELP CCC(CC)[N@@H+](CCOC)[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336227 175011876 /nfs/dbraw/zinc/01/18/76/175011876.db2.gz PIGFGEXZKFGNGM-IUODEOHRSA-N 2 2 268.401 2.805 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](CCOC)CC(C)C ZINC000043335919 175012011 /nfs/dbraw/zinc/01/20/11/175012011.db2.gz HDGFOWBLVLFTSR-ZFWWWQNUSA-N 2 2 268.401 2.662 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](CCOC)CC(C)C ZINC000043335919 175012013 /nfs/dbraw/zinc/01/20/13/175012013.db2.gz HDGFOWBLVLFTSR-ZFWWWQNUSA-N 2 2 268.401 2.662 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336393 175012502 /nfs/dbraw/zinc/01/25/02/175012502.db2.gz QWVATBKBRRUJPI-MEBBXXQBSA-N 2 2 255.321 2.874 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+](C)C1CCC(C)CC1 ZINC000043340091 175014843 /nfs/dbraw/zinc/01/48/43/175014843.db2.gz OJCAQDANEZWTAO-YWIABWOTSA-N 2 2 261.413 2.980 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+](C)C1CCC(C)CC1 ZINC000043340091 175014844 /nfs/dbraw/zinc/01/48/44/175014844.db2.gz OJCAQDANEZWTAO-YWIABWOTSA-N 2 2 261.413 2.980 10 0 CFAELP CCC(CC)[N@H+](CCOC)[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341019 175014924 /nfs/dbraw/zinc/01/49/24/175014924.db2.gz CMIZKONIRDFRGL-CZUORRHYSA-N 2 2 279.428 2.607 10 0 CFAELP CCC(CC)[N@@H+](CCOC)[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341019 175014925 /nfs/dbraw/zinc/01/49/25/175014925.db2.gz CMIZKONIRDFRGL-CZUORRHYSA-N 2 2 279.428 2.607 10 0 CFAELP Cc1cc2[nH+]cn([C@@H](c3cccnc3)[C@@H](C)[NH3+])c2cc1C ZINC000043348812 175018929 /nfs/dbraw/zinc/01/89/29/175018929.db2.gz NQZZBDMVBAQIRU-CXAGYDPISA-N 2 2 280.375 2.985 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](CC1CC1)C(C)C ZINC000043348428 175019037 /nfs/dbraw/zinc/01/90/37/175019037.db2.gz SCWXWRSLDQYRHV-CVEARBPZSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](CC1CC1)C(C)C ZINC000043348428 175019039 /nfs/dbraw/zinc/01/90/39/175019039.db2.gz SCWXWRSLDQYRHV-CVEARBPZSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[NH+]1CCC(CC)CC1 ZINC000043354072 175021276 /nfs/dbraw/zinc/02/12/76/175021276.db2.gz MYYFLQVTCYKUFP-JKSUJKDBSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](CCOC)CC(C)C ZINC000043364970 175025646 /nfs/dbraw/zinc/02/56/46/175025646.db2.gz DEVVVHZRKCOZPP-HOCLYGCPSA-N 2 2 282.428 2.971 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](CCOC)CC(C)C ZINC000043364970 175025649 /nfs/dbraw/zinc/02/56/49/175025649.db2.gz DEVVVHZRKCOZPP-HOCLYGCPSA-N 2 2 282.428 2.971 10 0 CFAELP C[N@H+]([C@@H](C[NH3+])c1ccc(Cl)c(F)c1)[C@@H]1CCSC1 ZINC000043390282 175033958 /nfs/dbraw/zinc/03/39/58/175033958.db2.gz ZLNVZWZICPVWBE-MFKMUULPSA-N 2 2 288.819 2.916 10 0 CFAELP C[N@@H+]([C@@H](C[NH3+])c1ccc(Cl)c(F)c1)[C@@H]1CCSC1 ZINC000043390282 175033959 /nfs/dbraw/zinc/03/39/59/175033959.db2.gz ZLNVZWZICPVWBE-MFKMUULPSA-N 2 2 288.819 2.916 10 0 CFAELP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000043476699 175054661 /nfs/dbraw/zinc/05/46/61/175054661.db2.gz RRQKPSJYPWYBML-UHFFFAOYSA-N 2 2 270.804 2.723 10 0 CFAELP CC[NH+]1CCC([NH2+]Cc2ccc(O)c(Cl)c2)CC1 ZINC000043488387 175056571 /nfs/dbraw/zinc/05/65/71/175056571.db2.gz NJJLVWZWCDXJQI-UHFFFAOYSA-N 2 2 268.788 2.620 10 0 CFAELP Cn1c(CC[C@H]2CCC[NH2+]C2)[nH+]c2cc(F)ccc21 ZINC000043586002 175071584 /nfs/dbraw/zinc/07/15/84/175071584.db2.gz MFRVAQJHWPLZCS-LLVKDONJSA-N 2 2 261.344 2.645 10 0 CFAELP Fc1cc2[nH]c(CC[C@H]3CCC[NH2+]C3)[nH+]c2cc1F ZINC000043585986 175071979 /nfs/dbraw/zinc/07/19/79/175071979.db2.gz YCZZASZSZLLTDV-SECBINFHSA-N 2 2 265.307 2.773 10 0 CFAELP CCC[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCOCC2)c1 ZINC000043808789 175109850 /nfs/dbraw/zinc/10/98/50/175109850.db2.gz UCCZODAITWTBKA-CQSZACIVSA-N 2 2 292.423 2.588 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811495 175110735 /nfs/dbraw/zinc/11/07/35/175110735.db2.gz JRMKVJQWPMGNHO-QKPAOTATSA-N 2 2 268.445 2.797 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811495 175110737 /nfs/dbraw/zinc/11/07/37/175110737.db2.gz JRMKVJQWPMGNHO-QKPAOTATSA-N 2 2 268.445 2.797 10 0 CFAELP CCC[C@H]([NH2+]C)[C@H](CC)[N@H+](C)CCc1ccccn1 ZINC000043818755 175113879 /nfs/dbraw/zinc/11/38/79/175113879.db2.gz VNQDGIJDYAVZOH-HOTGVXAUSA-N 2 2 263.429 2.723 10 0 CFAELP CCC[C@H]([NH2+]C)[C@H](CC)[N@@H+](C)CCc1ccccn1 ZINC000043818755 175113880 /nfs/dbraw/zinc/11/38/80/175113880.db2.gz VNQDGIJDYAVZOH-HOTGVXAUSA-N 2 2 263.429 2.723 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@H]1[N@H+](C)Cc1cccnc1 ZINC000043893759 175118772 /nfs/dbraw/zinc/11/87/72/175118772.db2.gz IHBMPNKFHQWTDC-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)Cc1cccnc1 ZINC000043893759 175118774 /nfs/dbraw/zinc/11/87/74/175118774.db2.gz IHBMPNKFHQWTDC-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@H]1[N@H+](C)Cc1ccccn1 ZINC000043894275 175119463 /nfs/dbraw/zinc/11/94/63/175119463.db2.gz GPPKUGIEYCNJPY-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+](C)Cc1ccccn1 ZINC000043894275 175119464 /nfs/dbraw/zinc/11/94/64/175119464.db2.gz GPPKUGIEYCNJPY-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043898001 175120574 /nfs/dbraw/zinc/12/05/74/175120574.db2.gz YIIYVNMJZLJTKL-LSDHHAIUSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043898001 175120575 /nfs/dbraw/zinc/12/05/75/175120575.db2.gz YIIYVNMJZLJTKL-LSDHHAIUSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898605 175120956 /nfs/dbraw/zinc/12/09/56/175120956.db2.gz IJZAZFDNZKSJLE-KBMXLJTQSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898605 175120957 /nfs/dbraw/zinc/12/09/57/175120957.db2.gz IJZAZFDNZKSJLE-KBMXLJTQSA-N 2 2 268.445 2.654 10 0 CFAELP C[NH2+][C@H]1CCCC[C@H]1[N@H+](C)Cc1cccc(OC)c1 ZINC000043911844 175123799 /nfs/dbraw/zinc/12/37/99/175123799.db2.gz BPAWOPCVZBBLNP-JKSUJKDBSA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911844 175123800 /nfs/dbraw/zinc/12/38/00/175123800.db2.gz BPAWOPCVZBBLNP-JKSUJKDBSA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@H]1CCCC[C@@H]1[N@H+](C)Cc1cccc(OC)c1 ZINC000043911839 175123813 /nfs/dbraw/zinc/12/38/13/175123813.db2.gz BPAWOPCVZBBLNP-HOTGVXAUSA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccc(OC)c1 ZINC000043911839 175123814 /nfs/dbraw/zinc/12/38/14/175123814.db2.gz BPAWOPCVZBBLNP-HOTGVXAUSA-N 2 2 262.397 2.658 10 0 CFAELP CC[C@@H]([NH2+]C)[C@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911499 175123915 /nfs/dbraw/zinc/12/39/15/175123915.db2.gz YAJNZVZOMXCQTP-SWLSCSKDSA-N 2 2 250.386 2.514 10 0 CFAELP CC[C@@H]([NH2+]C)[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911499 175123916 /nfs/dbraw/zinc/12/39/16/175123916.db2.gz YAJNZVZOMXCQTP-SWLSCSKDSA-N 2 2 250.386 2.514 10 0 CFAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043913734 175124607 /nfs/dbraw/zinc/12/46/07/175124607.db2.gz IGWTUCHHBVFKSE-LVQVYYBASA-N 2 2 268.445 2.797 10 0 CFAELP CC[C@@H]1CO[C@H](C)C[N@H+]1[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043913734 175124608 /nfs/dbraw/zinc/12/46/08/175124608.db2.gz IGWTUCHHBVFKSE-LVQVYYBASA-N 2 2 268.445 2.797 10 0 CFAELP CCC[NH2+][C@H]1CCCCCC[C@H]1[N@H+](C)CCOC ZINC000043916270 175125007 /nfs/dbraw/zinc/12/50/07/175125007.db2.gz UJGSNVQUFYAGLI-LSDHHAIUSA-N 2 2 256.434 2.656 10 0 CFAELP CCC[NH2+][C@H]1CCCCCC[C@H]1[N@@H+](C)CCOC ZINC000043916270 175125008 /nfs/dbraw/zinc/12/50/08/175125008.db2.gz UJGSNVQUFYAGLI-LSDHHAIUSA-N 2 2 256.434 2.656 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@@H](C(C)C)[N@H+](C)CCOC ZINC000043915911 175125066 /nfs/dbraw/zinc/12/50/66/175125066.db2.gz NSOKAHPSWJVJFX-IAGOWNOFSA-N 2 2 278.440 2.940 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@@H](C(C)C)[N@@H+](C)CCOC ZINC000043915911 175125067 /nfs/dbraw/zinc/12/50/67/175125067.db2.gz NSOKAHPSWJVJFX-IAGOWNOFSA-N 2 2 278.440 2.940 10 0 CFAELP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+]1CCOCC1(C)C ZINC000043965329 175126637 /nfs/dbraw/zinc/12/66/37/175126637.db2.gz TVRIXRKWQZAGKY-ILXRZTDVSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+]1CCOCC1(C)C ZINC000043965329 175126639 /nfs/dbraw/zinc/12/66/39/175126639.db2.gz TVRIXRKWQZAGKY-ILXRZTDVSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@H](CC)[N@H+](C)C[C@@H]1CCCO1 ZINC000043966140 175127239 /nfs/dbraw/zinc/12/72/39/175127239.db2.gz WHPBDBSPDAGQLC-KKUMJFAQSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@H](CC)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966140 175127242 /nfs/dbraw/zinc/12/72/42/175127242.db2.gz WHPBDBSPDAGQLC-KKUMJFAQSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966235 175127821 /nfs/dbraw/zinc/12/78/21/175127821.db2.gz CJTZNAPLHVROON-UGUYLWEFSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966235 175127822 /nfs/dbraw/zinc/12/78/22/175127822.db2.gz CJTZNAPLHVROON-UGUYLWEFSA-N 2 2 268.445 2.654 10 0 CFAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966553 175128216 /nfs/dbraw/zinc/12/82/16/175128216.db2.gz JVNOTKVFBNQZLN-QXSJWSMHSA-N 2 2 268.445 2.654 10 0 CFAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966553 175128217 /nfs/dbraw/zinc/12/82/17/175128217.db2.gz JVNOTKVFBNQZLN-QXSJWSMHSA-N 2 2 268.445 2.654 10 0 CFAELP CC[N@H+](CCOC)C[C@@H]([NH2+]C)c1cc(C)ccc1C ZINC000043968534 175129502 /nfs/dbraw/zinc/12/95/02/175129502.db2.gz WLBGLUUCPKOAHI-MRXNPFEDSA-N 2 2 264.413 2.532 10 0 CFAELP CC[N@@H+](CCOC)C[C@@H]([NH2+]C)c1cc(C)ccc1C ZINC000043968534 175129503 /nfs/dbraw/zinc/12/95/03/175129503.db2.gz WLBGLUUCPKOAHI-MRXNPFEDSA-N 2 2 264.413 2.532 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1[N@H+](CC)CCOC ZINC000043968709 175129914 /nfs/dbraw/zinc/12/99/14/175129914.db2.gz ITLSXTFOGXFUGQ-DLBZAZTESA-N 2 2 276.424 2.620 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1[N@@H+](CC)CCOC ZINC000043968709 175129915 /nfs/dbraw/zinc/12/99/15/175129915.db2.gz ITLSXTFOGXFUGQ-DLBZAZTESA-N 2 2 276.424 2.620 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@@H](C)[N@H+](CCOC)C1CC1 ZINC000043969872 175130982 /nfs/dbraw/zinc/13/09/82/175130982.db2.gz WPHTWDNBTDKELU-RHSMWYFYSA-N 2 2 276.424 2.837 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@@H](C)[N@@H+](CCOC)C1CC1 ZINC000043969872 175130984 /nfs/dbraw/zinc/13/09/84/175130984.db2.gz WPHTWDNBTDKELU-RHSMWYFYSA-N 2 2 276.424 2.837 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@H+](CCOC)[C@@H](C)COC ZINC000043975895 175132452 /nfs/dbraw/zinc/13/24/52/175132452.db2.gz WBJVJJJOQSROIT-XHSDSOJGSA-N 2 2 288.476 2.527 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@@H+](CCOC)[C@@H](C)COC ZINC000043975895 175132453 /nfs/dbraw/zinc/13/24/53/175132453.db2.gz WBJVJJJOQSROIT-XHSDSOJGSA-N 2 2 288.476 2.527 10 0 CFAELP CCCC[N@H+]([C@@H](C)CC)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043975340 175132745 /nfs/dbraw/zinc/13/27/45/175132745.db2.gz UAYBRUJFQVFSNW-HRCADAONSA-N 2 2 298.471 2.771 10 0 CFAELP CCCC[N@@H+]([C@@H](C)CC)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043975340 175132746 /nfs/dbraw/zinc/13/27/46/175132746.db2.gz UAYBRUJFQVFSNW-HRCADAONSA-N 2 2 298.471 2.771 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@H]1[N@H+](C)[C@@H](C)C(C)(C)C ZINC000043979515 175133615 /nfs/dbraw/zinc/13/36/15/175133615.db2.gz YARCZDBMENVIHJ-MELADBBJSA-N 2 2 256.434 2.510 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@H]1[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000043979515 175133616 /nfs/dbraw/zinc/13/36/16/175133616.db2.gz YARCZDBMENVIHJ-MELADBBJSA-N 2 2 256.434 2.510 10 0 CFAELP C[NH2+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000043993194 175136530 /nfs/dbraw/zinc/13/65/30/175136530.db2.gz JAFWVAPNOPSIHE-JYJNAYRXSA-N 2 2 255.365 2.980 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@H]1n1c[nH+]c2cc(C)c(C)cc21 ZINC000043996646 175136864 /nfs/dbraw/zinc/13/68/64/175136864.db2.gz IJVQASWTOJKRGP-RHSMWYFYSA-N 2 2 287.407 2.983 10 0 CFAELP C[NH2+][C@@H]1c2ccccc2OC[C@H]1n1cc[nH+]c1C(C)C ZINC000043997539 175137169 /nfs/dbraw/zinc/13/71/69/175137169.db2.gz WRDQQCZQYGEOTC-UKRRQHHQSA-N 2 2 271.364 2.901 10 0 CFAELP CC(C)[C@@H]([C@H](O)c1ccccc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC000044121142 175142480 /nfs/dbraw/zinc/14/24/80/175142480.db2.gz YGXZPORSFDTYNV-ZWKOTPCHSA-N 2 2 290.451 2.771 10 0 CFAELP CC(C)[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000044121142 175142481 /nfs/dbraw/zinc/14/24/81/175142481.db2.gz YGXZPORSFDTYNV-ZWKOTPCHSA-N 2 2 290.451 2.771 10 0 CFAELP C[C@@H](CC[NH2+][C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000044427720 175175073 /nfs/dbraw/zinc/17/50/73/175175073.db2.gz KEICOKKQOLDBAC-YOEHRIQHSA-N 2 2 258.409 2.864 10 0 CFAELP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000044561425 175204624 /nfs/dbraw/zinc/20/46/24/175204624.db2.gz BIFWVTZINFCUOP-NVXWUHKLSA-N 3 2 281.488 2.571 10 0 CFAELP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C)CC1 ZINC000044561425 175204626 /nfs/dbraw/zinc/20/46/26/175204626.db2.gz BIFWVTZINFCUOP-NVXWUHKLSA-N 3 2 281.488 2.571 10 0 CFAELP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C)c1ccc(O)cc1 ZINC000044561760 175205245 /nfs/dbraw/zinc/20/52/45/175205245.db2.gz JPRZKGLUPJAQKV-GOEBONIOSA-N 2 2 262.397 2.917 10 0 CFAELP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C)c1ccc(O)cc1 ZINC000044561760 175205246 /nfs/dbraw/zinc/20/52/46/175205246.db2.gz JPRZKGLUPJAQKV-GOEBONIOSA-N 2 2 262.397 2.917 10 0 CFAELP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044746775 175242834 /nfs/dbraw/zinc/24/28/34/175242834.db2.gz YRSNXSHMBYKKPQ-WMLDXEAASA-N 2 2 274.408 2.844 10 0 CFAELP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044746775 175242835 /nfs/dbraw/zinc/24/28/35/175242835.db2.gz YRSNXSHMBYKKPQ-WMLDXEAASA-N 2 2 274.408 2.844 10 0 CFAELP C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747609 175243030 /nfs/dbraw/zinc/24/30/30/175243030.db2.gz YHUIHKOZDFXVLR-WMLDXEAASA-N 2 2 274.408 2.844 10 0 CFAELP C[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747609 175243031 /nfs/dbraw/zinc/24/30/31/175243031.db2.gz YHUIHKOZDFXVLR-WMLDXEAASA-N 2 2 274.408 2.844 10 0 CFAELP Cc1c(C)n(C[C@H](C)[NH+]2CCCCC2)c2nc[nH+]c(N)c12 ZINC000045006780 175288639 /nfs/dbraw/zinc/28/86/39/175288639.db2.gz GWGAAEIMINKJII-NSHDSACASA-N 2 2 287.411 2.505 10 0 CFAELP COCC[C@](C)(C[NH3+])[N@H+](C)Cc1cccc(Cl)c1 ZINC000045043400 175295019 /nfs/dbraw/zinc/29/50/19/175295019.db2.gz QODABHGVIICKSQ-CQSZACIVSA-N 2 2 270.804 2.526 10 0 CFAELP COCC[C@](C)(C[NH3+])[N@@H+](C)Cc1cccc(Cl)c1 ZINC000045043400 175295021 /nfs/dbraw/zinc/29/50/21/175295021.db2.gz QODABHGVIICKSQ-CQSZACIVSA-N 2 2 270.804 2.526 10 0 CFAELP COc1cc(OC)cc([C@H](C[NH3+])[N@H+](C)CC(C)(C)C)c1 ZINC000045070500 175301284 /nfs/dbraw/zinc/30/12/84/175301284.db2.gz MBLQEWWJJDBOSY-HNNXBMFYSA-N 2 2 280.412 2.682 10 0 CFAELP COc1cc(OC)cc([C@H](C[NH3+])[N@@H+](C)CC(C)(C)C)c1 ZINC000045070500 175301287 /nfs/dbraw/zinc/30/12/87/175301287.db2.gz MBLQEWWJJDBOSY-HNNXBMFYSA-N 2 2 280.412 2.682 10 0 CFAELP Cc1ccc2c(c1)[nH+]c(N)n2CCCCn1cc[nH+]c1 ZINC000045108610 175308813 /nfs/dbraw/zinc/30/88/13/175308813.db2.gz YKCPDBQRMNLWPV-UHFFFAOYSA-N 2 2 269.352 2.604 10 0 CFAELP CCn1nc(C)c([C@H](C)[NH2+]C2CC[NH+](CC)CC2)c1C ZINC000045172051 175321832 /nfs/dbraw/zinc/32/18/32/175321832.db2.gz VFUUPEOGHLIUEM-LBPRGKRZSA-N 2 2 278.444 2.655 10 0 CFAELP CC[NH2+][C@@](C)(CCC[NH+]1CCCCCCC1)C(=O)OC ZINC000045371589 175364223 /nfs/dbraw/zinc/36/42/23/175364223.db2.gz VFOXNAHTUZEBQT-INIZCTEOSA-N 2 2 284.444 2.574 10 0 CFAELP CCOC(=O)[C@](C)(CCC[NH+]1CCC(C)CC1)[NH2+]C1CC1 ZINC000045375039 175365724 /nfs/dbraw/zinc/36/57/24/175365724.db2.gz RNNXAWINWFWBEE-KRWDZBQOSA-N 2 2 296.455 2.572 10 0 CFAELP CC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)c1ccccc1 ZINC000045379953 175369467 /nfs/dbraw/zinc/36/94/67/175369467.db2.gz PNUTTWRYSMAFOO-QGZVFWFLSA-N 2 2 291.439 2.535 10 0 CFAELP CC[N@@H+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)c1ccccc1 ZINC000045379953 175369468 /nfs/dbraw/zinc/36/94/68/175369468.db2.gz PNUTTWRYSMAFOO-QGZVFWFLSA-N 2 2 291.439 2.535 10 0 CFAELP CC1(C)CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]21 ZINC000076697533 177060881 /nfs/dbraw/zinc/06/08/81/177060881.db2.gz QRRNYPWMVYJEKH-JKSUJKDBSA-N 2 2 258.409 2.897 10 0 CFAELP CC1(C)CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]21 ZINC000076697533 177060882 /nfs/dbraw/zinc/06/08/82/177060882.db2.gz QRRNYPWMVYJEKH-JKSUJKDBSA-N 2 2 258.409 2.897 10 0 CFAELP CCc1cc([C@@H](C[NH3+])[N@H+](C)C(C)C)ccc1OC ZINC000077432338 177268124 /nfs/dbraw/zinc/26/81/24/177268124.db2.gz IJFBNRATCINFDG-CQSZACIVSA-N 2 2 250.386 2.598 10 0 CFAELP CCc1cc([C@@H](C[NH3+])[N@@H+](C)C(C)C)ccc1OC ZINC000077432338 177268125 /nfs/dbraw/zinc/26/81/25/177268125.db2.gz IJFBNRATCINFDG-CQSZACIVSA-N 2 2 250.386 2.598 10 0 CFAELP C[C@@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C[C@@H]1C[NH3+] ZINC000164011420 274304457 /nfs/dbraw/zinc/30/44/57/274304457.db2.gz SMZRBTXSHSPYHB-ZJUUUORDSA-N 2 2 273.302 2.522 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000328319862 276230695 /nfs/dbraw/zinc/23/06/95/276230695.db2.gz DLXRZLKSCQKPBH-WCQYABFASA-N 2 2 250.411 2.809 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000328319862 276230696 /nfs/dbraw/zinc/23/06/96/276230696.db2.gz DLXRZLKSCQKPBH-WCQYABFASA-N 2 2 250.411 2.809 10 0 CFAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000343137720 288092751 /nfs/dbraw/zinc/09/27/51/288092751.db2.gz AFHLSWIOOZFYBX-WYUUTHIRSA-N 2 2 264.335 2.647 10 0 CFAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000343137720 288092753 /nfs/dbraw/zinc/09/27/53/288092753.db2.gz AFHLSWIOOZFYBX-WYUUTHIRSA-N 2 2 264.335 2.647 10 0 CFAELP COc1cccc2c(N3CC[N@@H+]4CCC[C@H]4C3)cc[nH+]c12 ZINC000249119989 281049545 /nfs/dbraw/zinc/04/95/45/281049545.db2.gz PNKHHINUZSWTSK-ZDUSSCGKSA-N 2 2 283.375 2.528 10 0 CFAELP COc1cccc2c(N3CC[N@H+]4CCC[C@H]4C3)cc[nH+]c12 ZINC000249119989 281049546 /nfs/dbraw/zinc/04/95/46/281049546.db2.gz PNKHHINUZSWTSK-ZDUSSCGKSA-N 2 2 283.375 2.528 10 0 CFAELP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396644061 281197236 /nfs/dbraw/zinc/19/72/36/281197236.db2.gz QDMUMRKVKBLYDY-YDHLFZDLSA-N 2 2 262.397 2.795 10 0 CFAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1COC(C)(C)C1 ZINC000396855229 281197972 /nfs/dbraw/zinc/19/79/72/281197972.db2.gz PHTCWFJRLDMQKD-HOCLYGCPSA-N 2 2 276.424 2.664 10 0 CFAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1COC(C)(C)C1 ZINC000396855229 281197973 /nfs/dbraw/zinc/19/79/73/281197973.db2.gz PHTCWFJRLDMQKD-HOCLYGCPSA-N 2 2 276.424 2.664 10 0 CFAELP C[NH+](C)C(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 ZINC000216348184 289036407 /nfs/dbraw/zinc/03/64/07/289036407.db2.gz NQFRAWRZMKUIQQ-KHMAMNHCSA-N 2 2 250.430 2.741 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCCN1c1[nH+]c2ccccc2n1C ZINC000192739799 293654427 /nfs/dbraw/zinc/65/44/27/293654427.db2.gz QBXQKZBJKHCUBJ-AWEZNQCLSA-N 2 2 295.390 2.747 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)Nc1[nH]c2ccccc2[nH+]1 ZINC000049558078 519345084 /nfs/dbraw/zinc/34/50/84/519345084.db2.gz PZGILVPWLNFQMF-GFCCVEGCSA-N 2 2 260.385 2.951 10 0 CFAELP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)C[NH+]2CCCC2)c1 ZINC000049149829 519747452 /nfs/dbraw/zinc/74/74/52/519747452.db2.gz NCFGDTVXDBYQFY-ZIAGYGMSSA-N 2 2 289.423 2.780 10 0 CFAELP CC(C)C[NH2+]Cc1ccoc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000052380313 519747906 /nfs/dbraw/zinc/74/79/06/519747906.db2.gz ITJCUGAXWHWLIK-KBPBESRZSA-N 2 2 280.412 2.634 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000049198688 519814937 /nfs/dbraw/zinc/81/49/37/519814937.db2.gz KIIYDPKZSNBJQV-IRXDYDNUSA-N 2 2 260.425 2.720 10 0 CFAELP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H](C[NH+](C)C)C(C)C)CC1 ZINC000049197586 519847737 /nfs/dbraw/zinc/84/77/37/519847737.db2.gz POQDELDQSMSMGQ-NVXWUHKLSA-N 3 2 283.504 2.673 10 0 CFAELP CCCC1CC[NH+](CCC[C@](C)([NH2+]CC)C(=O)OC)CC1 ZINC000050905782 519900964 /nfs/dbraw/zinc/90/09/64/519900964.db2.gz CGWNPXCOPFIEOV-KRWDZBQOSA-N 2 2 298.471 2.820 10 0 CFAELP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCSC ZINC000069444440 519907790 /nfs/dbraw/zinc/90/77/90/519907790.db2.gz PMMFIBCPJJZFSS-AGUYFDCRSA-N 2 2 256.459 2.735 10 0 CFAELP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCSC ZINC000069444440 519907792 /nfs/dbraw/zinc/90/77/92/519907792.db2.gz PMMFIBCPJJZFSS-AGUYFDCRSA-N 2 2 256.459 2.735 10 0 CFAELP CCC[NH2+]C[C@@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417254 519920621 /nfs/dbraw/zinc/92/06/21/519920621.db2.gz DISMVZJNMRMZAP-SFHVURJKSA-N 2 2 289.467 2.833 10 0 CFAELP CCC[NH2+]C[C@H](C(C)C)[N@H+](C)CCc1ccccn1 ZINC000052423725 519928811 /nfs/dbraw/zinc/92/88/11/519928811.db2.gz UPNMGAHMQDLSPZ-MRXNPFEDSA-N 2 2 263.429 2.580 10 0 CFAELP CCC[NH2+]C[C@H](C(C)C)[N@@H+](C)CCc1ccccn1 ZINC000052423725 519928822 /nfs/dbraw/zinc/92/88/22/519928822.db2.gz UPNMGAHMQDLSPZ-MRXNPFEDSA-N 2 2 263.429 2.580 10 0 CFAELP CCC[NH2+]C[C@H]1CCC[N@@H+]1CCCOc1ccccc1 ZINC000061815925 519934533 /nfs/dbraw/zinc/93/45/33/519934533.db2.gz QXWDHUMFBJPPQS-MRXNPFEDSA-N 2 2 276.424 2.920 10 0 CFAELP CCC[NH2+]C[C@H]1CCC[N@H+]1CCCOc1ccccc1 ZINC000061815925 519934543 /nfs/dbraw/zinc/93/45/43/519934543.db2.gz QXWDHUMFBJPPQS-MRXNPFEDSA-N 2 2 276.424 2.920 10 0 CFAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCCc3sccc32)C1 ZINC000061363708 520120442 /nfs/dbraw/zinc/12/04/42/520120442.db2.gz OTVYXSDZSPYFMG-DGCLKSJQSA-N 2 2 250.411 2.809 10 0 CFAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H]2CCCc3sccc32)C1 ZINC000061363708 520120449 /nfs/dbraw/zinc/12/04/49/520120449.db2.gz OTVYXSDZSPYFMG-DGCLKSJQSA-N 2 2 250.411 2.809 10 0 CFAELP CC[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000069237332 520968399 /nfs/dbraw/zinc/96/83/99/520968399.db2.gz WYCWTSSVUWZNFQ-HNNXBMFYSA-N 2 2 262.397 2.735 10 0 CFAELP CC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000069237332 520968402 /nfs/dbraw/zinc/96/84/02/520968402.db2.gz WYCWTSSVUWZNFQ-HNNXBMFYSA-N 2 2 262.397 2.735 10 0 CFAELP CC[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc(F)cc1C ZINC000069237360 520968567 /nfs/dbraw/zinc/96/85/67/520968567.db2.gz SDUJGPSMYIDECJ-OAHLLOKOSA-N 2 2 250.361 2.866 10 0 CFAELP CC[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc(F)cc1C ZINC000069237360 520968573 /nfs/dbraw/zinc/96/85/73/520968573.db2.gz SDUJGPSMYIDECJ-OAHLLOKOSA-N 2 2 250.361 2.866 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193275248 521623462 /nfs/dbraw/zinc/62/34/62/521623462.db2.gz IPJKXJXQEZCODU-QGZVFWFLSA-N 2 2 288.435 2.628 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193275248 521623464 /nfs/dbraw/zinc/62/34/64/521623464.db2.gz IPJKXJXQEZCODU-QGZVFWFLSA-N 2 2 288.435 2.628 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000067220105 521624936 /nfs/dbraw/zinc/62/49/36/521624936.db2.gz IEZVRWYKWLWBIP-MRXNPFEDSA-N 2 2 269.392 2.809 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000067220105 521624943 /nfs/dbraw/zinc/62/49/43/521624943.db2.gz IEZVRWYKWLWBIP-MRXNPFEDSA-N 2 2 269.392 2.809 10 0 CFAELP C[NH2+][C@H](C)c1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000049327239 522448584 /nfs/dbraw/zinc/44/85/84/522448584.db2.gz QYDBPRUJJGUEOX-CYBMUJFWSA-N 2 2 259.353 2.633 10 0 CFAELP CCc1[nH+]c2ccccc2n1Cc1cc[nH+]c(N)c1 ZINC000062808101 522504848 /nfs/dbraw/zinc/50/48/48/522504848.db2.gz IWKHSCHANRZSMH-UHFFFAOYSA-N 2 2 252.321 2.624 10 0 CFAELP CCc1[nH+]c2ccccc2n1[C@@H](C[NH3+])C(F)(F)F ZINC000062807189 522507472 /nfs/dbraw/zinc/50/74/72/522507472.db2.gz APJZERJSIAQDJN-JTQLQIEISA-N 2 2 257.259 2.661 10 0 CFAELP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1nccs1 ZINC000080279220 522826932 /nfs/dbraw/zinc/82/69/32/522826932.db2.gz QTMHXECUDRWTCJ-GFCCVEGCSA-N 2 2 253.415 2.670 10 0 CFAELP C[N@H+](Cc1nc2ccccc2s1)[C@H]1CCC[NH2+]CC1 ZINC000231668785 523570783 /nfs/dbraw/zinc/57/07/83/523570783.db2.gz BPUHJHLYIBKIDL-LBPRGKRZSA-N 2 2 275.421 2.870 10 0 CFAELP C[N@@H+](Cc1nc2ccccc2s1)[C@H]1CCC[NH2+]CC1 ZINC000231668785 523570787 /nfs/dbraw/zinc/57/07/87/523570787.db2.gz BPUHJHLYIBKIDL-LBPRGKRZSA-N 2 2 275.421 2.870 10 0 CFAELP COCC[N@H+](CC(C)C)[C@H](C[NH3+])c1ccc(F)cc1C ZINC000050579037 523682015 /nfs/dbraw/zinc/68/20/15/523682015.db2.gz OXBVIALTGNVTER-MRXNPFEDSA-N 2 2 282.403 2.738 10 0 CFAELP COCC[N@@H+](CC(C)C)[C@H](C[NH3+])c1ccc(F)cc1C ZINC000050579037 523682021 /nfs/dbraw/zinc/68/20/21/523682021.db2.gz OXBVIALTGNVTER-MRXNPFEDSA-N 2 2 282.403 2.738 10 0 CFAELP CC[C@H](C)[N@H+](CCOC)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050579094 523938470 /nfs/dbraw/zinc/93/84/70/523938470.db2.gz LISCAVUXLSHQRG-BBRMVZONSA-N 2 2 282.403 2.881 10 0 CFAELP CC[C@H](C)[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050579094 523938473 /nfs/dbraw/zinc/93/84/73/523938473.db2.gz LISCAVUXLSHQRG-BBRMVZONSA-N 2 2 282.403 2.881 10 0 CFAELP COc1cccc([C@@H](C)[NH2+][C@H](C[NH+](C)C)C(C)C)c1 ZINC000049195879 524091598 /nfs/dbraw/zinc/09/15/98/524091598.db2.gz YHOJMMZWTRDYDH-CZUORRHYSA-N 2 2 264.413 2.932 10 0 CFAELP COc1cccc([C@H](CN2CCCCC2=[NH2+])[NH+](C)C)c1 ZINC000049583996 524158666 /nfs/dbraw/zinc/15/86/66/524158666.db2.gz JOBDKOVBYAQVFF-HNNXBMFYSA-N 2 2 275.396 2.761 10 0 CFAELP C[C@H](CC[NH+](C)C)Nc1ccc2cc(N)ccc2[nH+]1 ZINC000049555382 524170869 /nfs/dbraw/zinc/17/08/69/524170869.db2.gz ZJVJICWDWDANPH-LLVKDONJSA-N 2 2 258.369 2.569 10 0 CFAELP Cc1ccc(C)c(OCC[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000227199199 524177602 /nfs/dbraw/zinc/17/76/02/524177602.db2.gz PBURDBWTVWRAGC-GOEBONIOSA-N 2 2 276.424 2.741 10 0 CFAELP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000227199199 524177611 /nfs/dbraw/zinc/17/76/11/524177611.db2.gz PBURDBWTVWRAGC-GOEBONIOSA-N 2 2 276.424 2.741 10 0 CFAELP Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000164984196 524199282 /nfs/dbraw/zinc/19/92/82/524199282.db2.gz UNJAFNMEQOPKQP-MRXNPFEDSA-N 2 2 290.451 2.760 10 0 CFAELP Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000164984196 524199293 /nfs/dbraw/zinc/19/92/93/524199293.db2.gz UNJAFNMEQOPKQP-MRXNPFEDSA-N 2 2 290.451 2.760 10 0 CFAELP C[C@H](C[NH+]1CCCCC1)n1c[nH+]c2cc(N)ccc21 ZINC000052855492 524335513 /nfs/dbraw/zinc/33/55/13/524335513.db2.gz XOBAKOUUYYQNGK-GFCCVEGCSA-N 2 2 258.369 2.665 10 0 CFAELP COc1ccc(N(CCC[NH3+])c2[nH+]cccc2C)cc1 ZINC000051040722 524366360 /nfs/dbraw/zinc/36/63/60/524366360.db2.gz QJLHLNNYJPIQPP-UHFFFAOYSA-N 2 2 271.364 2.886 10 0 CFAELP COc1ccccc1C[N@@H+](C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000048894091 524437077 /nfs/dbraw/zinc/43/70/77/524437077.db2.gz KCVHCYFCTKYCBW-LSDHHAIUSA-N 2 2 262.397 2.787 10 0 CFAELP COc1ccccc1C[N@H+](C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000048894091 524437070 /nfs/dbraw/zinc/43/70/70/524437070.db2.gz KCVHCYFCTKYCBW-LSDHHAIUSA-N 2 2 262.397 2.787 10 0 CFAELP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000310007034 524455269 /nfs/dbraw/zinc/45/52/69/524455269.db2.gz IFFDQCQIDQEPMN-HOTGVXAUSA-N 3 2 277.456 2.614 10 0 CFAELP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000310007034 524455278 /nfs/dbraw/zinc/45/52/78/524455278.db2.gz IFFDQCQIDQEPMN-HOTGVXAUSA-N 3 2 277.456 2.614 10 0 CFAELP COc1ccccc1C[C@@H](C)[NH2+][C@H](C[NH+](C)C)C(C)C ZINC000049198610 524501681 /nfs/dbraw/zinc/50/16/81/524501681.db2.gz BFZBDGSSQRHXLK-GDBMZVCRSA-N 2 2 278.440 2.802 10 0 CFAELP COc1ccccc1C[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC000049151004 524503005 /nfs/dbraw/zinc/50/30/05/524503005.db2.gz LTKCNKKFOPLGCK-HUUCEWRRSA-N 2 2 276.424 2.700 10 0 CFAELP Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557400 524743387 /nfs/dbraw/zinc/74/33/87/524743387.db2.gz QBARCGVRXQCEEC-GFCCVEGCSA-N 2 2 297.830 2.517 10 0 CFAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@@H+]2CCC[C@@H]2CCCO)s1 ZINC000052757248 525980475 /nfs/dbraw/zinc/98/04/75/525980475.db2.gz ZYQMDPXURXVPQZ-GUTXKFCHSA-N 2 2 282.453 2.682 10 0 CFAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@H+]2CCC[C@@H]2CCCO)s1 ZINC000052757248 525980479 /nfs/dbraw/zinc/98/04/79/525980479.db2.gz ZYQMDPXURXVPQZ-GUTXKFCHSA-N 2 2 282.453 2.682 10 0 CFAELP c1cc2c(s1)CCc1[nH]c([C@@H]3CCC[NH2+]C3)[nH+]c1-2 ZINC000061326920 526446483 /nfs/dbraw/zinc/44/64/83/526446483.db2.gz JBAWCTNLGRMXOO-SECBINFHSA-N 2 2 259.378 2.704 10 0 CFAELP c1ccc([C@H](C[NH2+]C2CC2)[N@@H+]2CCCSCC2)cc1 ZINC000052371191 526495947 /nfs/dbraw/zinc/49/59/47/526495947.db2.gz AMIXLELQDSWBDW-INIZCTEOSA-N 2 2 276.449 2.919 10 0 CFAELP c1ccc([C@H](C[NH2+]C2CC2)[N@H+]2CCCSCC2)cc1 ZINC000052371191 526495952 /nfs/dbraw/zinc/49/59/52/526495952.db2.gz AMIXLELQDSWBDW-INIZCTEOSA-N 2 2 276.449 2.919 10 0 CFAELP c1coc(C[N@@H+]2CCC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC000062665608 526566307 /nfs/dbraw/zinc/56/63/07/526566307.db2.gz BTCVFQGQFQNPLH-MRXNPFEDSA-N 2 2 270.376 2.686 10 0 CFAELP c1coc(C[N@H+]2CCC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC000062665608 526566312 /nfs/dbraw/zinc/56/63/12/526566312.db2.gz BTCVFQGQFQNPLH-MRXNPFEDSA-N 2 2 270.376 2.686 10 0 CFAELP Cc1oc(C[N@@H+]2CCOC[C@H]2C)cc1C[NH2+]CC(C)C ZINC000052475818 526770566 /nfs/dbraw/zinc/77/05/66/526770566.db2.gz AAWAQELEZBMPJZ-CYBMUJFWSA-N 2 2 280.412 2.554 10 0 CFAELP Cc1oc(C[N@H+]2CCOC[C@H]2C)cc1C[NH2+]CC(C)C ZINC000052475818 526770568 /nfs/dbraw/zinc/77/05/68/526770568.db2.gz AAWAQELEZBMPJZ-CYBMUJFWSA-N 2 2 280.412 2.554 10 0 CFAELP Cc1oc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C[NH2+]CC(C)C ZINC000052380352 526772585 /nfs/dbraw/zinc/77/25/85/526772585.db2.gz JFCQLMSMPCKITG-KBPBESRZSA-N 2 2 294.439 2.943 10 0 CFAELP Cc1[nH+]c2ccccc2n1Cc1cc(F)ccc1C[NH3+] ZINC000069401914 527171578 /nfs/dbraw/zinc/17/15/78/527171578.db2.gz JMDIFZSKYOUJKC-UHFFFAOYSA-N 2 2 269.323 2.991 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000219743617 527231832 /nfs/dbraw/zinc/23/18/32/527231832.db2.gz HZRIVGQCLQBUED-GFCCVEGCSA-N 2 2 288.313 2.898 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000219743617 527231834 /nfs/dbraw/zinc/23/18/34/527231834.db2.gz HZRIVGQCLQBUED-GFCCVEGCSA-N 2 2 288.313 2.898 10 0 CFAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cs1 ZINC000052482557 527265167 /nfs/dbraw/zinc/26/51/67/527265167.db2.gz XIDRBGZYZSKFEA-AAEUAGOBSA-N 2 2 265.426 2.756 10 0 CFAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cs1 ZINC000052482557 527265175 /nfs/dbraw/zinc/26/51/75/527265175.db2.gz XIDRBGZYZSKFEA-AAEUAGOBSA-N 2 2 265.426 2.756 10 0 CFAELP CC[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2C[N@H+](CC)CCO2)C1 ZINC000394602885 574359630 /nfs/dbraw/zinc/35/96/30/574359630.db2.gz GIRHKZXNPKEUOS-OAGGEKHMSA-N 2 2 268.445 2.513 10 0 CFAELP CC[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000394602885 574359633 /nfs/dbraw/zinc/35/96/33/574359633.db2.gz GIRHKZXNPKEUOS-OAGGEKHMSA-N 2 2 268.445 2.513 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3F)C[C@@H]12 ZINC000261557687 619170260 /nfs/dbraw/zinc/17/02/60/619170260.db2.gz CUCIQCVBDPKKHG-GAJTVXKRSA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3F)C[C@@H]12 ZINC000261557687 619170257 /nfs/dbraw/zinc/17/02/57/619170257.db2.gz CUCIQCVBDPKKHG-GAJTVXKRSA-N 2 2 268.763 2.648 10 0 CFAELP CCC[NH+]1CCC([NH2+][C@H]2COc3ccccc32)CC1 ZINC000070528262 625339453 /nfs/dbraw/zinc/33/94/53/625339453.db2.gz JCZBQLYJSUDTKA-HNNXBMFYSA-N 2 2 260.381 2.584 10 0 CFAELP CO[C@@H](c1ccc(-c2cc[nH+]c(N(C)C)c2)cc1)[C@H](C)[NH3+] ZINC000904849225 621658343 /nfs/dbraw/zinc/65/83/43/621658343.db2.gz JCMFRQAHGXRHQN-YVEFUNNKSA-N 2 2 285.391 2.849 10 0 CFAELP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000019843301 642072545 /nfs/dbraw/zinc/07/25/45/642072545.db2.gz AVYUCQWJGMONGY-NSHDSACASA-N 2 2 274.286 2.508 10 0 CFAELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000019843301 642072551 /nfs/dbraw/zinc/07/25/51/642072551.db2.gz AVYUCQWJGMONGY-NSHDSACASA-N 2 2 274.286 2.508 10 0 CFAELP C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccc(Br)cc1 ZINC000096976835 185144261 /nfs/dbraw/zinc/14/42/61/185144261.db2.gz NGDGHYXYSOVGGH-DGCLKSJQSA-N 2 2 283.213 2.791 10 0 CFAELP C[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccc(Br)cc1 ZINC000096976835 185144263 /nfs/dbraw/zinc/14/42/63/185144263.db2.gz NGDGHYXYSOVGGH-DGCLKSJQSA-N 2 2 283.213 2.791 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000105922773 186090901 /nfs/dbraw/zinc/09/09/01/186090901.db2.gz ANAIAUICVIFKPX-FUEXJSSKSA-N 2 2 253.777 2.835 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000105922773 186090902 /nfs/dbraw/zinc/09/09/02/186090902.db2.gz ANAIAUICVIFKPX-FUEXJSSKSA-N 2 2 253.777 2.835 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(C)on2)C1 ZINC000105896747 186086208 /nfs/dbraw/zinc/08/62/08/186086208.db2.gz KRKIECXULAQIGE-CQSZACIVSA-N 2 2 274.368 2.579 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(C)on2)C1 ZINC000105896747 186086209 /nfs/dbraw/zinc/08/62/09/186086209.db2.gz KRKIECXULAQIGE-CQSZACIVSA-N 2 2 274.368 2.579 10 0 CFAELP C[N@@H+]1CCO[C@H](CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000108945781 186237087 /nfs/dbraw/zinc/23/70/87/186237087.db2.gz RUXSSMMJTCHYJZ-GFCCVEGCSA-N 2 2 291.782 2.631 10 0 CFAELP C[N@H+]1CCO[C@H](CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000108945781 186237089 /nfs/dbraw/zinc/23/70/89/186237089.db2.gz RUXSSMMJTCHYJZ-GFCCVEGCSA-N 2 2 291.782 2.631 10 0 CFAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cc3ccccc3cn2)CC1 ZINC000616627639 352390594 /nfs/dbraw/zinc/39/05/94/352390594.db2.gz IKXJRLVTTIXNDJ-AWEZNQCLSA-N 2 2 269.392 2.763 10 0 CFAELP [NH3+]CC[N@H+]1CCC[C@H](c2cc3ccccc3cn2)CC1 ZINC000616627639 352390597 /nfs/dbraw/zinc/39/05/97/352390597.db2.gz IKXJRLVTTIXNDJ-AWEZNQCLSA-N 2 2 269.392 2.763 10 0 CFAELP CNc1ccccc1[C@@H]1c2ccccc2CC[N@H+]1CC[NH3+] ZINC000616679456 352409824 /nfs/dbraw/zinc/40/98/24/352409824.db2.gz UATXAHNOUQHCHQ-SFHVURJKSA-N 2 2 281.403 2.635 10 0 CFAELP CNc1ccccc1[C@@H]1c2ccccc2CC[N@@H+]1CC[NH3+] ZINC000616679456 352409827 /nfs/dbraw/zinc/40/98/27/352409827.db2.gz UATXAHNOUQHCHQ-SFHVURJKSA-N 2 2 281.403 2.635 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000630552627 355111168 /nfs/dbraw/zinc/11/11/68/355111168.db2.gz FPGJDCDIAGFKLO-JSGCOSHPSA-N 2 2 255.365 2.574 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1cccc(Br)c1 ZINC000675053706 540314771 /nfs/dbraw/zinc/31/47/71/540314771.db2.gz KRTDQPUUYZWPEJ-OLZOCXBDSA-N 2 2 283.213 2.933 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1cccc(Br)c1 ZINC000675053706 540314774 /nfs/dbraw/zinc/31/47/74/540314774.db2.gz KRTDQPUUYZWPEJ-OLZOCXBDSA-N 2 2 283.213 2.933 10 0 CFAELP C[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1cccc(Br)c1 ZINC000250558654 540354974 /nfs/dbraw/zinc/35/49/74/540354974.db2.gz BUNHDTKIUGNABG-RYUDHWBXSA-N 2 2 269.186 2.543 10 0 CFAELP C[N@H+]1CC[C@H]([NH3+])C[C@H]1c1cccc(Br)c1 ZINC000250558654 540354976 /nfs/dbraw/zinc/35/49/76/540354976.db2.gz BUNHDTKIUGNABG-RYUDHWBXSA-N 2 2 269.186 2.543 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccnc1Cl ZINC000178309804 189105762 /nfs/dbraw/zinc/10/57/62/189105762.db2.gz SSHTUPVLDFXRLV-AWEZNQCLSA-N 2 2 290.798 2.905 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccnc1Cl ZINC000178309804 189105763 /nfs/dbraw/zinc/10/57/63/189105763.db2.gz SSHTUPVLDFXRLV-AWEZNQCLSA-N 2 2 290.798 2.905 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000178754358 189143255 /nfs/dbraw/zinc/14/32/55/189143255.db2.gz UALJLXHPHCCKQE-KRWDZBQOSA-N 2 2 269.392 2.899 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000178754358 189143256 /nfs/dbraw/zinc/14/32/56/189143256.db2.gz UALJLXHPHCCKQE-KRWDZBQOSA-N 2 2 269.392 2.899 10 0 CFAELP Cc1cnn([C@@H]2CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000180140403 189239507 /nfs/dbraw/zinc/23/95/07/189239507.db2.gz JXFYBRPTBORASS-MRXNPFEDSA-N 2 2 295.390 2.676 10 0 CFAELP Cc1cnn([C@@H]2CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000180140403 189239508 /nfs/dbraw/zinc/23/95/08/189239508.db2.gz JXFYBRPTBORASS-MRXNPFEDSA-N 2 2 295.390 2.676 10 0 CFAELP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1F ZINC000180211003 189243627 /nfs/dbraw/zinc/24/36/27/189243627.db2.gz IDUGIPUPIHKTPU-WMLDXEAASA-N 2 2 294.414 2.713 10 0 CFAELP O[C@H](C[NH2+][C@@H]1CCCc2sccc21)C[NH+]1CCCCC1 ZINC000151314810 378315983 /nfs/dbraw/zinc/31/59/83/378315983.db2.gz KCKIWCPNNHVVEC-UKRRQHHQSA-N 2 2 294.464 2.562 10 0 CFAELP CC(C)OCCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151101040 378294333 /nfs/dbraw/zinc/29/43/33/378294333.db2.gz QUQUEWLWJQRWBV-OAHLLOKOSA-N 2 2 277.412 2.631 10 0 CFAELP CC(C)OCCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151101040 378294340 /nfs/dbraw/zinc/29/43/40/378294340.db2.gz QUQUEWLWJQRWBV-OAHLLOKOSA-N 2 2 277.412 2.631 10 0 CFAELP COc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163417924 378971289 /nfs/dbraw/zinc/97/12/89/378971289.db2.gz XCCZXQJKASHOEO-NEPJUHHUSA-N 2 2 282.815 2.765 10 0 CFAELP COc1cccc(Cl)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163417924 378971296 /nfs/dbraw/zinc/97/12/96/378971296.db2.gz XCCZXQJKASHOEO-NEPJUHHUSA-N 2 2 282.815 2.765 10 0 CFAELP COC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000174011002 379813231 /nfs/dbraw/zinc/81/32/31/379813231.db2.gz JWACQXKPBSQWOJ-WBVHZDCISA-N 2 2 276.424 2.666 10 0 CFAELP COC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174011002 379813232 /nfs/dbraw/zinc/81/32/32/379813232.db2.gz JWACQXKPBSQWOJ-WBVHZDCISA-N 2 2 276.424 2.666 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000174919795 379961166 /nfs/dbraw/zinc/96/11/66/379961166.db2.gz FBWHVAHERPLPTO-HNNXBMFYSA-N 2 2 297.406 2.836 10 0 CFAELP C[C@@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)C(F)(F)F ZINC000335990697 380203129 /nfs/dbraw/zinc/20/31/29/380203129.db2.gz VTTWWJPIXAOGGN-NSHDSACASA-N 2 2 264.335 2.745 10 0 CFAELP C[C@@H](C[NH+]1CCC2(CCC[N@H+]2C)CC1)C(F)(F)F ZINC000335990697 380203136 /nfs/dbraw/zinc/20/31/36/380203136.db2.gz VTTWWJPIXAOGGN-NSHDSACASA-N 2 2 264.335 2.745 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccncc1Cl ZINC000178331895 380438630 /nfs/dbraw/zinc/43/86/30/380438630.db2.gz SVNAXMYOTFCMCE-CQSZACIVSA-N 2 2 290.798 2.905 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccncc1Cl ZINC000178331895 380438634 /nfs/dbraw/zinc/43/86/34/380438634.db2.gz SVNAXMYOTFCMCE-CQSZACIVSA-N 2 2 290.798 2.905 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187045225 382083904 /nfs/dbraw/zinc/08/39/04/382083904.db2.gz LVWBDCWBBGXTNV-JSGCOSHPSA-N 2 2 256.459 2.592 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187045225 382083910 /nfs/dbraw/zinc/08/39/10/382083910.db2.gz LVWBDCWBBGXTNV-JSGCOSHPSA-N 2 2 256.459 2.592 10 0 CFAELP C[C@@H]1[C@H](Nc2ccc[nH+]c2N)CC[N@@H+]1Cc1ccccc1 ZINC000307347923 382466269 /nfs/dbraw/zinc/46/62/69/382466269.db2.gz XWHORVOPVDTUBJ-UKRRQHHQSA-N 2 2 282.391 2.739 10 0 CFAELP C[C@@H]1[C@H](Nc2ccc[nH+]c2N)CC[N@H+]1Cc1ccccc1 ZINC000307347923 382466274 /nfs/dbraw/zinc/46/62/74/382466274.db2.gz XWHORVOPVDTUBJ-UKRRQHHQSA-N 2 2 282.391 2.739 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000328319858 382547044 /nfs/dbraw/zinc/54/70/44/382547044.db2.gz DLXRZLKSCQKPBH-AAEUAGOBSA-N 2 2 250.411 2.809 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000328319858 382547049 /nfs/dbraw/zinc/54/70/49/382547049.db2.gz DLXRZLKSCQKPBH-AAEUAGOBSA-N 2 2 250.411 2.809 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OCC(C)C)C2(C)C)C1 ZINC000389403178 382614463 /nfs/dbraw/zinc/61/44/63/382614463.db2.gz LDZWEXGCFZZSOZ-KKUMJFAQSA-N 2 2 268.445 2.510 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OCC(C)C)C2(C)C)C1 ZINC000389403178 382614465 /nfs/dbraw/zinc/61/44/65/382614465.db2.gz LDZWEXGCFZZSOZ-KKUMJFAQSA-N 2 2 268.445 2.510 10 0 CFAELP CCCc1[nH+]c2ccccc2n1CC[C@@H]1CC[NH2+]C1 ZINC000395804274 382630688 /nfs/dbraw/zinc/63/06/88/382630688.db2.gz IVRQCKPNXYIXFI-ZDUSSCGKSA-N 2 2 257.381 2.988 10 0 CFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@H]2C=CCCC2)C1 ZINC000195275770 382766007 /nfs/dbraw/zinc/76/60/07/382766007.db2.gz ICJZDSUFRIUSML-ROUUACIJSA-N 2 2 285.435 2.944 10 0 CFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@H]2C=CCCC2)C1 ZINC000195275770 382766010 /nfs/dbraw/zinc/76/60/10/382766010.db2.gz ICJZDSUFRIUSML-ROUUACIJSA-N 2 2 285.435 2.944 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000195275770 382766012 /nfs/dbraw/zinc/76/60/12/382766012.db2.gz ICJZDSUFRIUSML-ROUUACIJSA-N 2 2 285.435 2.944 10 0 CFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+]([C@H]2C=CCCC2)C1 ZINC000195275770 382766014 /nfs/dbraw/zinc/76/60/14/382766014.db2.gz ICJZDSUFRIUSML-ROUUACIJSA-N 2 2 285.435 2.944 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227078126 382833173 /nfs/dbraw/zinc/83/31/73/382833173.db2.gz BYJHUMFAGODQQU-GXTWGEPZSA-N 2 2 255.365 2.717 10 0 CFAELP C[N@H+](Cc1cc(F)c(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231456236 382865178 /nfs/dbraw/zinc/86/51/78/382865178.db2.gz WYIUQXWCFMZISF-LLVKDONJSA-N 2 2 272.314 2.678 10 0 CFAELP C[N@@H+](Cc1cc(F)c(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231456236 382865179 /nfs/dbraw/zinc/86/51/79/382865179.db2.gz WYIUQXWCFMZISF-LLVKDONJSA-N 2 2 272.314 2.678 10 0 CFAELP Cc1cc(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000247332779 383164461 /nfs/dbraw/zinc/16/44/61/383164461.db2.gz NAUGIOLJBSXURW-RISCZKNCSA-N 2 2 274.412 2.803 10 0 CFAELP Cc1cc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000247332779 383164466 /nfs/dbraw/zinc/16/44/66/383164466.db2.gz NAUGIOLJBSXURW-RISCZKNCSA-N 2 2 274.412 2.803 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)C12CCC2 ZINC000250471251 383376138 /nfs/dbraw/zinc/37/61/38/383376138.db2.gz CTJRRAQORSRXHI-OWCLPIDISA-N 2 2 282.472 2.900 10 0 CFAELP C[C@H]1CCN(c2[nH+]ccc3ccccc32)C[C@H]1C[NH3+] ZINC000253182827 383446992 /nfs/dbraw/zinc/44/69/92/383446992.db2.gz GEPIIZAEAWEYDI-GXTWGEPZSA-N 2 2 255.365 2.656 10 0 CFAELP CC(C)(C)c1nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000261601536 383526140 /nfs/dbraw/zinc/52/61/40/383526140.db2.gz QEHGOIYIHPGEQR-CYZMBNFOSA-N 2 2 279.453 2.610 10 0 CFAELP CC(C)(C)c1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000261601536 383526145 /nfs/dbraw/zinc/52/61/45/383526145.db2.gz QEHGOIYIHPGEQR-CYZMBNFOSA-N 2 2 279.453 2.610 10 0 CFAELP Cc1ccc(-c2ncc(C[N@@H+]3C[C@H]([NH3+])[C@@H](C)C3)s2)cc1 ZINC000261960335 383587773 /nfs/dbraw/zinc/58/77/73/383587773.db2.gz HGLNCWJHIRGCGN-WFASDCNBSA-N 2 2 287.432 2.898 10 0 CFAELP Cc1ccc(-c2ncc(C[N@H+]3C[C@H]([NH3+])[C@@H](C)C3)s2)cc1 ZINC000261960335 383587777 /nfs/dbraw/zinc/58/77/77/383587777.db2.gz HGLNCWJHIRGCGN-WFASDCNBSA-N 2 2 287.432 2.898 10 0 CFAELP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)o2)C[C@@H]1[NH3+] ZINC000262045950 383599999 /nfs/dbraw/zinc/59/99/99/383599999.db2.gz PRZSSLDMQIZBGB-WFASDCNBSA-N 2 2 256.349 2.726 10 0 CFAELP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)C[C@@H]1[NH3+] ZINC000262045950 383600002 /nfs/dbraw/zinc/60/00/02/383600002.db2.gz PRZSSLDMQIZBGB-WFASDCNBSA-N 2 2 256.349 2.726 10 0 CFAELP C[C@@H](C[N@@H+]1CCC[C@H]1C[NH3+])c1cccc(Cl)c1 ZINC000261787499 383561185 /nfs/dbraw/zinc/56/11/85/383561185.db2.gz FXXLXCBUIBQTPX-FZMZJTMJSA-N 2 2 252.789 2.867 10 0 CFAELP C[C@@H](C[N@H+]1CCC[C@H]1C[NH3+])c1cccc(Cl)c1 ZINC000261787499 383561188 /nfs/dbraw/zinc/56/11/88/383561188.db2.gz FXXLXCBUIBQTPX-FZMZJTMJSA-N 2 2 252.789 2.867 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493889773 394335360 /nfs/dbraw/zinc/33/53/60/394335360.db2.gz YCSNMQAJZWFYNZ-WWDZGPRUSA-N 2 2 288.435 2.808 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493889773 394335361 /nfs/dbraw/zinc/33/53/61/394335361.db2.gz YCSNMQAJZWFYNZ-WWDZGPRUSA-N 2 2 288.435 2.808 10 0 CFAELP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1ccc([NH+](C)C)cc1 ZINC000083545987 135029024 /nfs/dbraw/zinc/02/90/24/135029024.db2.gz XTTFOEZPOCJCOJ-PBHICJAKSA-N 2 2 275.440 2.965 10 0 CFAELP Fc1cc(F)cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000185223318 543046807 /nfs/dbraw/zinc/04/68/07/543046807.db2.gz LDOOTSZQZFETEY-HNNXBMFYSA-N 2 2 277.318 2.826 10 0 CFAELP Fc1cc(F)cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000185223318 543046810 /nfs/dbraw/zinc/04/68/10/543046810.db2.gz LDOOTSZQZFETEY-HNNXBMFYSA-N 2 2 277.318 2.826 10 0 CFAELP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cc(F)ccc1F ZINC000657301294 413419534 /nfs/dbraw/zinc/41/95/34/413419534.db2.gz ZHDWZLFZGMVTCQ-JTQLQIEISA-N 2 2 277.318 2.958 10 0 CFAELP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)n1C ZINC000657302750 413421448 /nfs/dbraw/zinc/42/14/48/413421448.db2.gz WIZOBIBHNAASNP-QWRGUYRKSA-N 2 2 275.318 2.939 10 0 CFAELP C[N@H+](CCc1ccccc1)[C@@H](C[NH3+])c1cccs1 ZINC000020225348 171087476 /nfs/dbraw/zinc/08/74/76/171087476.db2.gz ZFSMAKMGCBTKBY-AWEZNQCLSA-N 2 2 260.406 2.922 10 0 CFAELP C[N@@H+](CCc1ccccc1)[C@@H](C[NH3+])c1cccs1 ZINC000020225348 171087479 /nfs/dbraw/zinc/08/74/79/171087479.db2.gz ZFSMAKMGCBTKBY-AWEZNQCLSA-N 2 2 260.406 2.922 10 0 CFAELP [NH3+][C@@H](Cn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000020261228 171117501 /nfs/dbraw/zinc/11/75/01/171117501.db2.gz WTYVKHQRARFOCR-NSHDSACASA-N 2 2 255.243 2.602 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)C2CCCCC2)cc1OC ZINC000022218631 171376939 /nfs/dbraw/zinc/37/69/39/171376939.db2.gz UESGEUIQEUOCOZ-OAHLLOKOSA-N 2 2 292.423 2.968 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)C2CCCCC2)cc1OC ZINC000022218631 171376941 /nfs/dbraw/zinc/37/69/41/171376941.db2.gz UESGEUIQEUOCOZ-OAHLLOKOSA-N 2 2 292.423 2.968 10 0 CFAELP COc1ccccc1[C@H](C[NH3+])[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022221177 171378120 /nfs/dbraw/zinc/37/81/20/171378120.db2.gz JQJMVGYOLPLJQH-NFAWXSAZSA-N 2 2 262.397 2.673 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cccc(Br)c1 ZINC000035503746 172237800 /nfs/dbraw/zinc/23/78/00/172237800.db2.gz JOBAZUFCIFXVMG-LLVKDONJSA-N 2 2 280.169 2.675 10 0 CFAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)Cc1ccccc1F ZINC000035586608 172285839 /nfs/dbraw/zinc/28/58/39/172285839.db2.gz DHALNOQPKDRWMA-CYBMUJFWSA-N 2 2 261.344 2.702 10 0 CFAELP C[N@H+](Cc1cccs1)[C@H](C[NH3+])Cc1ccccc1 ZINC000035716931 172371213 /nfs/dbraw/zinc/37/12/13/172371213.db2.gz OHPYBCLLFFDIPY-AWEZNQCLSA-N 2 2 260.406 2.750 10 0 CFAELP C[N@@H+](Cc1cccs1)[C@H](C[NH3+])Cc1ccccc1 ZINC000035716931 172371215 /nfs/dbraw/zinc/37/12/15/172371215.db2.gz OHPYBCLLFFDIPY-AWEZNQCLSA-N 2 2 260.406 2.750 10 0 CFAELP CC[C@H](C)C[N@H+](C)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000037172597 173006378 /nfs/dbraw/zinc/00/63/78/173006378.db2.gz KOAZCFMBUNFUHT-HZMBPMFUSA-N 2 2 256.340 2.943 10 0 CFAELP CC[C@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000037172597 173006380 /nfs/dbraw/zinc/00/63/80/173006380.db2.gz KOAZCFMBUNFUHT-HZMBPMFUSA-N 2 2 256.340 2.943 10 0 CFAELP CC[C@@H](C)C[N@H+](C)[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000037172628 173007022 /nfs/dbraw/zinc/00/70/22/173007022.db2.gz BHPCKOHRMOMFPE-DOMZBBRYSA-N 2 2 250.386 2.673 10 0 CFAELP CC[C@@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000037172628 173007025 /nfs/dbraw/zinc/00/70/25/173007025.db2.gz BHPCKOHRMOMFPE-DOMZBBRYSA-N 2 2 250.386 2.673 10 0 CFAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)c(C)c1 ZINC000037174466 173008715 /nfs/dbraw/zinc/00/87/15/173008715.db2.gz CAEDLJAWZGNOJG-UKRRQHHQSA-N 2 2 264.438 2.741 10 0 CFAELP Cc1ccc([C@@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)c(C)c1 ZINC000037174466 173008717 /nfs/dbraw/zinc/00/87/17/173008717.db2.gz CAEDLJAWZGNOJG-UKRRQHHQSA-N 2 2 264.438 2.741 10 0 CFAELP c1ccc2c(c1)CSC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000037228762 173048517 /nfs/dbraw/zinc/04/85/17/173048517.db2.gz TYCKCIBGWBSPFY-HNNXBMFYSA-N 2 2 262.422 2.660 10 0 CFAELP [NH3+][C@@H]1CC[N@@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000037242430 173058936 /nfs/dbraw/zinc/05/89/36/173058936.db2.gz QLKYGWGJAGFORZ-MRXNPFEDSA-N 2 2 252.361 2.809 10 0 CFAELP [NH3+][C@@H]1CC[N@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000037242430 173058938 /nfs/dbraw/zinc/05/89/38/173058938.db2.gz QLKYGWGJAGFORZ-MRXNPFEDSA-N 2 2 252.361 2.809 10 0 CFAELP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000038028859 174017937 /nfs/dbraw/zinc/01/79/37/174017937.db2.gz FEKDDEAPCQPNIG-SJORKVTESA-N 3 2 295.515 2.961 10 0 CFAELP C[C@H](C[NH2+][C@@H]1COc2cc(O)ccc21)C[NH+]1CCCCC1 ZINC000038041825 174043653 /nfs/dbraw/zinc/04/36/53/174043653.db2.gz KJZSWZOKJODFCQ-CZUORRHYSA-N 2 2 290.407 2.537 10 0 CFAELP COc1ccc([C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C2CC2)cc1 ZINC000038087694 174099673 /nfs/dbraw/zinc/09/96/73/174099673.db2.gz YLNAJPYXEMSYNG-WBMJQRKESA-N 2 2 262.397 2.686 10 0 CFAELP C[N@@H+](Cc1ccccc1)C[C@@H]([NH3+])Cc1ccccc1 ZINC000039141100 174164442 /nfs/dbraw/zinc/16/44/42/174164442.db2.gz NJGKQTGWKAIQFJ-KRWDZBQOSA-N 2 2 254.377 2.688 10 0 CFAELP C[N@H+](Cc1ccccc1)C[C@@H]([NH3+])Cc1ccccc1 ZINC000039141100 174164443 /nfs/dbraw/zinc/16/44/43/174164443.db2.gz NJGKQTGWKAIQFJ-KRWDZBQOSA-N 2 2 254.377 2.688 10 0 CFAELP C[C@@H]1C[C@H](C)C[N@H+]([C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000039789061 174173176 /nfs/dbraw/zinc/17/31/76/174173176.db2.gz DYFBOAAPWLENIQ-TYNCELHUSA-N 2 2 250.361 2.803 10 0 CFAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000039789061 174173178 /nfs/dbraw/zinc/17/31/78/174173178.db2.gz DYFBOAAPWLENIQ-TYNCELHUSA-N 2 2 250.361 2.803 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)CCO3)C1 ZINC000040502922 174299340 /nfs/dbraw/zinc/29/93/40/174299340.db2.gz CGLWICQLISOLGD-XJKSGUPXSA-N 2 2 274.408 2.756 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)CCO3)C1 ZINC000040502922 174299342 /nfs/dbraw/zinc/29/93/42/174299342.db2.gz CGLWICQLISOLGD-XJKSGUPXSA-N 2 2 274.408 2.756 10 0 CFAELP Cc1cc(C)c(C[NH3+])c(N2CCC[C@@H]2c2ccncc2)[nH+]1 ZINC000040509492 174303910 /nfs/dbraw/zinc/30/39/10/174303910.db2.gz KICLSWNGZHLGDN-MRXNPFEDSA-N 2 2 282.391 2.894 10 0 CFAELP Cc1nc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cs1 ZINC000040622860 174355933 /nfs/dbraw/zinc/35/59/33/174355933.db2.gz LDYRPKLOJMFKGW-AAEUAGOBSA-N 2 2 267.442 2.832 10 0 CFAELP Cc1nc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cs1 ZINC000040622860 174355934 /nfs/dbraw/zinc/35/59/34/174355934.db2.gz LDYRPKLOJMFKGW-AAEUAGOBSA-N 2 2 267.442 2.832 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+]Cc1c(F)cccc1Cl ZINC000040638828 174362871 /nfs/dbraw/zinc/36/28/71/174362871.db2.gz JLQQCNLXYYLZQY-UHFFFAOYSA-N 2 2 267.735 2.545 10 0 CFAELP CCCOc1ccc(C[NH2+]CCc2[nH+]ccn2C)cc1 ZINC000040638916 174363394 /nfs/dbraw/zinc/36/33/94/174363394.db2.gz HBZAOFKTFGNYAO-UHFFFAOYSA-N 2 2 273.380 2.541 10 0 CFAELP [NH3+]C[C@@H]1CCCCC[C@@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693659 174377537 /nfs/dbraw/zinc/37/75/37/174377537.db2.gz URIYLZHXMIWLOY-WMZOPIPTSA-N 3 2 293.499 2.844 10 0 CFAELP CC(C)Oc1ccc([C@H](C[NH3+])[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000040717132 174384097 /nfs/dbraw/zinc/38/40/97/174384097.db2.gz GLBSNAVGEUHHHJ-CJNGLKHVSA-N 2 2 262.397 2.815 10 0 CFAELP CC(C)Oc1ccc([C@H](C[NH3+])[N@H+]2CC[C@@H](C)C2)cc1 ZINC000040717132 174384098 /nfs/dbraw/zinc/38/40/98/174384098.db2.gz GLBSNAVGEUHHHJ-CJNGLKHVSA-N 2 2 262.397 2.815 10 0 CFAELP COc1ccc(Cl)cc1C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750021 174394648 /nfs/dbraw/zinc/39/46/48/174394648.db2.gz JQJIBDRTYDUGTB-AGUYFDCRSA-N 2 2 280.799 2.803 10 0 CFAELP COc1ccc(Cl)cc1C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750021 174394649 /nfs/dbraw/zinc/39/46/49/174394649.db2.gz JQJIBDRTYDUGTB-AGUYFDCRSA-N 2 2 280.799 2.803 10 0 CFAELP CCCc1cc(N[C@H]2CC[NH2+]C3(CCC3)C2)nc[nH+]1 ZINC000040765794 174397881 /nfs/dbraw/zinc/39/78/81/174397881.db2.gz VLZULFMATMPGMW-ZDUSSCGKSA-N 2 2 260.385 2.516 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043338890 175012944 /nfs/dbraw/zinc/01/29/44/175012944.db2.gz CBQTUQBSLUDHHV-CTASWTNQSA-N 2 2 261.413 2.838 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043338890 175012945 /nfs/dbraw/zinc/01/29/45/175012945.db2.gz CBQTUQBSLUDHHV-CTASWTNQSA-N 2 2 261.413 2.838 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+](CC1CC1)C(C)C ZINC000043340968 175014964 /nfs/dbraw/zinc/01/49/64/175014964.db2.gz VUCKBZIXOPIQLX-GDBMZVCRSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+](CC1CC1)C(C)C ZINC000043340968 175014965 /nfs/dbraw/zinc/01/49/65/175014965.db2.gz VUCKBZIXOPIQLX-GDBMZVCRSA-N 2 2 261.413 2.980 10 0 CFAELP Cc1cc2[nH+]cn([C@H](C[NH3+])c3ccccn3)c2cc1C ZINC000043341367 175015002 /nfs/dbraw/zinc/01/50/02/175015002.db2.gz FUIYAEPEOCXOLX-MRXNPFEDSA-N 2 2 266.348 2.596 10 0 CFAELP Cc1cc2[nH+]cn([C@H](c3ccccn3)[C@H](C)[NH3+])c2cc1C ZINC000043341374 175015491 /nfs/dbraw/zinc/01/54/91/175015491.db2.gz BACYUNFOYCOZHJ-GUYCJALGSA-N 2 2 280.375 2.985 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+](CC1CC1)C(C)C ZINC000043354687 175021946 /nfs/dbraw/zinc/02/19/46/175021946.db2.gz XIALQTHABFAVQM-JKSUJKDBSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](CC1CC1)C(C)C ZINC000043354687 175021947 /nfs/dbraw/zinc/02/19/47/175021947.db2.gz XIALQTHABFAVQM-JKSUJKDBSA-N 2 2 261.413 2.980 10 0 CFAELP Cc1cc2[nH+]cn([C@@H](C[NH3+])c3ccncc3)c2cc1C ZINC000043354927 175023017 /nfs/dbraw/zinc/02/30/17/175023017.db2.gz AVBIZYBFTOXXKP-INIZCTEOSA-N 2 2 266.348 2.596 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccncc1)n1cc[nH+]c1-c1ccccc1 ZINC000043354994 175023132 /nfs/dbraw/zinc/02/31/32/175023132.db2.gz UMTPXVBEULCNBD-CZUORRHYSA-N 2 2 278.359 2.882 10 0 CFAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@H+](C)CCc2ccccn2)o1 ZINC000043363922 175025061 /nfs/dbraw/zinc/02/50/61/175025061.db2.gz CKMQNIYAOGBHON-XJKSGUPXSA-N 2 2 273.380 2.546 10 0 CFAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)CCc2ccccn2)o1 ZINC000043363922 175025062 /nfs/dbraw/zinc/02/50/62/175025062.db2.gz CKMQNIYAOGBHON-XJKSGUPXSA-N 2 2 273.380 2.546 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043364787 175025458 /nfs/dbraw/zinc/02/54/58/175025458.db2.gz IYLKJNYANHJCJA-LZWOXQAQSA-N 2 2 280.412 2.867 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043364787 175025459 /nfs/dbraw/zinc/02/54/59/175025459.db2.gz IYLKJNYANHJCJA-LZWOXQAQSA-N 2 2 280.412 2.867 10 0 CFAELP CC1CCC(C[NH3+])([N@@H+]2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000043424900 175040284 /nfs/dbraw/zinc/04/02/84/175040284.db2.gz IOJSQWRYGQZLDN-PYBGIAKNSA-N 2 2 266.429 2.537 10 0 CFAELP CC1CCC(C[NH3+])([N@H+]2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000043424900 175040285 /nfs/dbraw/zinc/04/02/85/175040285.db2.gz IOJSQWRYGQZLDN-PYBGIAKNSA-N 2 2 266.429 2.537 10 0 CFAELP CC1(C)C[C@@H]([NH3+])c2ccc(OCCn3cc[nH+]c3)cc2O1 ZINC000043460189 175050802 /nfs/dbraw/zinc/05/08/02/175050802.db2.gz QEFZCCRCFMNWGB-CQSZACIVSA-N 2 2 287.363 2.523 10 0 CFAELP C[N@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccccc1F ZINC000043498962 175058258 /nfs/dbraw/zinc/05/82/58/175058258.db2.gz HXARMJAQAWZJHM-AWEZNQCLSA-N 2 2 250.361 2.790 10 0 CFAELP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccccc1F ZINC000043498962 175058260 /nfs/dbraw/zinc/05/82/60/175058260.db2.gz HXARMJAQAWZJHM-AWEZNQCLSA-N 2 2 250.361 2.790 10 0 CFAELP Cc1cc[nH+]c(N(CCC(N)=[NH2+])c2ccccc2)c1 ZINC000043561371 175066401 /nfs/dbraw/zinc/06/64/01/175066401.db2.gz HCAPDFTZVULMPK-UHFFFAOYSA-N 2 2 254.337 2.854 10 0 CFAELP CCn1c2ccccc2[nH+]c1CC[C@@H]1CCC[NH2+]C1 ZINC000043585962 175071880 /nfs/dbraw/zinc/07/18/80/175071880.db2.gz MLYRCXMLYSBJSO-ZDUSSCGKSA-N 2 2 257.381 2.988 10 0 CFAELP Cn1c(CC[C@@H]2CCC[NH2+]C2)[nH+]c2cc(F)ccc21 ZINC000043589795 175073604 /nfs/dbraw/zinc/07/36/04/175073604.db2.gz MFRVAQJHWPLZCS-NSHDSACASA-N 2 2 261.344 2.645 10 0 CFAELP C[C@H](Cc1ccco1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000043596235 175076414 /nfs/dbraw/zinc/07/64/14/175076414.db2.gz OHEJQIADMYLECS-DYVFJYSZSA-N 2 2 270.376 2.687 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811603 175110739 /nfs/dbraw/zinc/11/07/39/175110739.db2.gz NBRSXYLPXUTFTC-LJIZCISZSA-N 2 2 268.445 2.652 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811603 175110741 /nfs/dbraw/zinc/11/07/41/175110741.db2.gz NBRSXYLPXUTFTC-LJIZCISZSA-N 2 2 268.445 2.652 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811544 175110765 /nfs/dbraw/zinc/11/07/65/175110765.db2.gz MXRORIQMXXYMHB-BARDWOONSA-N 2 2 256.434 2.652 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811544 175110767 /nfs/dbraw/zinc/11/07/67/175110767.db2.gz MXRORIQMXXYMHB-BARDWOONSA-N 2 2 256.434 2.652 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811612 175110946 /nfs/dbraw/zinc/11/09/46/175110946.db2.gz YHQVXZXMSQHUIN-XUWVNRHRSA-N 2 2 268.445 2.797 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811612 175110948 /nfs/dbraw/zinc/11/09/48/175110948.db2.gz YHQVXZXMSQHUIN-XUWVNRHRSA-N 2 2 268.445 2.797 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000043818813 175113949 /nfs/dbraw/zinc/11/39/49/175113949.db2.gz BNUWGRSPNMSITL-SJORKVTESA-N 2 2 275.440 2.867 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818813 175113950 /nfs/dbraw/zinc/11/39/50/175113950.db2.gz BNUWGRSPNMSITL-SJORKVTESA-N 2 2 275.440 2.867 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@@H]1[N@H+](C)Cc1cccnc1 ZINC000043893755 175118578 /nfs/dbraw/zinc/11/85/78/175118578.db2.gz IHBMPNKFHQWTDC-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccnc1 ZINC000043893755 175118579 /nfs/dbraw/zinc/11/85/79/175118579.db2.gz IHBMPNKFHQWTDC-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+](C)Cc1ccncc1 ZINC000043894056 175119053 /nfs/dbraw/zinc/11/90/53/175119053.db2.gz AXZOIQCLRIXMAT-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+](C)Cc1ccncc1 ZINC000043894056 175119055 /nfs/dbraw/zinc/11/90/55/175119055.db2.gz AXZOIQCLRIXMAT-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897983 175120428 /nfs/dbraw/zinc/12/04/28/175120428.db2.gz KJAWTULJNBPXRQ-ZNMIVQPWSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897983 175120429 /nfs/dbraw/zinc/12/04/29/175120429.db2.gz KJAWTULJNBPXRQ-ZNMIVQPWSA-N 2 2 268.445 2.654 10 0 CFAELP CC[C@H]1COCC[N@@H+]1Cc1cc([C@@H](C)[NH2+]C)ccc1OC ZINC000043899090 175121281 /nfs/dbraw/zinc/12/12/81/175121281.db2.gz VERQOXZFENJALW-CJNGLKHVSA-N 2 2 292.423 2.586 10 0 CFAELP CC[C@H]1COCC[N@H+]1Cc1cc([C@@H](C)[NH2+]C)ccc1OC ZINC000043899090 175121283 /nfs/dbraw/zinc/12/12/83/175121283.db2.gz VERQOXZFENJALW-CJNGLKHVSA-N 2 2 292.423 2.586 10 0 CFAELP C[NH2+][C@H](C[N@H+](C)Cc1ccc(F)cc1)C(C)(C)C ZINC000043910954 175123563 /nfs/dbraw/zinc/12/35/63/175123563.db2.gz XJHTUWYQRJWDCS-CQSZACIVSA-N 2 2 252.377 2.892 10 0 CFAELP C[NH2+][C@H](C[N@@H+](C)Cc1ccc(F)cc1)C(C)(C)C ZINC000043910954 175123565 /nfs/dbraw/zinc/12/35/65/175123565.db2.gz XJHTUWYQRJWDCS-CQSZACIVSA-N 2 2 252.377 2.892 10 0 CFAELP C[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911519 175123608 /nfs/dbraw/zinc/12/36/08/175123608.db2.gz IDKWKSCKYNMYCG-CVEARBPZSA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911519 175123610 /nfs/dbraw/zinc/12/36/10/175123610.db2.gz IDKWKSCKYNMYCG-CVEARBPZSA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccccc1OC ZINC000043912159 175123810 /nfs/dbraw/zinc/12/38/10/175123810.db2.gz YONFMWVDSDDXGI-CABCVRRESA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccccc1OC ZINC000043912159 175123811 /nfs/dbraw/zinc/12/38/11/175123811.db2.gz YONFMWVDSDDXGI-CABCVRRESA-N 2 2 262.397 2.658 10 0 CFAELP CC[NH2+][C@H](C)[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911658 175123910 /nfs/dbraw/zinc/12/39/10/175123910.db2.gz WJOQGHIBJMXVOS-CHWSQXEVSA-N 2 2 250.386 2.514 10 0 CFAELP CC[NH2+][C@H](C)[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911658 175123912 /nfs/dbraw/zinc/12/39/12/175123912.db2.gz WJOQGHIBJMXVOS-CHWSQXEVSA-N 2 2 250.386 2.514 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2CCC[C@@H]1[N@H+](C)CCOC ZINC000043915685 175125058 /nfs/dbraw/zinc/12/50/58/175125058.db2.gz WALHODJYFYRJCQ-DLBZAZTESA-N 2 2 276.424 2.620 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2CCC[C@@H]1[N@@H+](C)CCOC ZINC000043915685 175125059 /nfs/dbraw/zinc/12/50/59/175125059.db2.gz WALHODJYFYRJCQ-DLBZAZTESA-N 2 2 276.424 2.620 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966719 175128184 /nfs/dbraw/zinc/12/81/84/175128184.db2.gz GQMKCARNEXHZDC-JYJNAYRXSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966719 175128185 /nfs/dbraw/zinc/12/81/85/175128185.db2.gz GQMKCARNEXHZDC-JYJNAYRXSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@H+](C)C1CCC(C)CC1 ZINC000043967049 175128194 /nfs/dbraw/zinc/12/81/94/175128194.db2.gz ZVIQRCGBMHZCST-FJBKBRRZSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+](C)C1CCC(C)CC1 ZINC000043967049 175128195 /nfs/dbraw/zinc/12/81/95/175128195.db2.gz ZVIQRCGBMHZCST-FJBKBRRZSA-N 2 2 268.445 2.654 10 0 CFAELP CCC(CC)C[N@H+](CC)[C@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043967078 175128420 /nfs/dbraw/zinc/12/84/20/175128420.db2.gz WDOSVBCICGNCRH-HOTGVXAUSA-N 2 2 298.471 2.628 10 0 CFAELP CCC(CC)C[N@@H+](CC)[C@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043967078 175128421 /nfs/dbraw/zinc/12/84/21/175128421.db2.gz WDOSVBCICGNCRH-HOTGVXAUSA-N 2 2 298.471 2.628 10 0 CFAELP CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)[N@H+](C)[C@@H](C)COC ZINC000043969259 175130190 /nfs/dbraw/zinc/13/01/90/175130190.db2.gz PPZBFJUCKHKPDS-VBQJREDUSA-N 2 2 294.439 2.701 10 0 CFAELP CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)[N@@H+](C)[C@@H](C)COC ZINC000043969259 175130191 /nfs/dbraw/zinc/13/01/91/175130191.db2.gz PPZBFJUCKHKPDS-VBQJREDUSA-N 2 2 294.439 2.701 10 0 CFAELP CCC[NH2+][C@H]1CCC[C@H]1[N@H+](CC)Cc1ccncc1 ZINC000043968940 175130619 /nfs/dbraw/zinc/13/06/19/175130619.db2.gz MUXCUWRVEQUROY-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@H]1CCC[C@H]1[N@@H+](CC)Cc1ccncc1 ZINC000043968940 175130620 /nfs/dbraw/zinc/13/06/20/175130620.db2.gz MUXCUWRVEQUROY-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@@H]1CCC[C@H]1[N@H+](CC)Cc1ccncc1 ZINC000043968939 175130628 /nfs/dbraw/zinc/13/06/28/175130628.db2.gz MUXCUWRVEQUROY-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@@H]1CCC[C@H]1[N@@H+](CC)Cc1ccncc1 ZINC000043968939 175130629 /nfs/dbraw/zinc/13/06/29/175130629.db2.gz MUXCUWRVEQUROY-HZPDHXFCSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@H+](CCOC)C1CC1 ZINC000043969988 175131555 /nfs/dbraw/zinc/13/15/55/175131555.db2.gz PAIGRVLHFQYNTP-LSDHHAIUSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@@H+](CCOC)C1CC1 ZINC000043969988 175131556 /nfs/dbraw/zinc/13/15/56/175131556.db2.gz PAIGRVLHFQYNTP-LSDHHAIUSA-N 2 2 256.434 2.654 10 0 CFAELP COc1ccc(OC)c([C@H](C)[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044539597 175200848 /nfs/dbraw/zinc/20/08/48/175200848.db2.gz DIIXHTKZCNKWRJ-QWHCGFSZSA-N 2 2 278.396 2.578 10 0 CFAELP COc1ccc(OC)c([C@H](C)[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044539597 175200850 /nfs/dbraw/zinc/20/08/50/175200850.db2.gz DIIXHTKZCNKWRJ-QWHCGFSZSA-N 2 2 278.396 2.578 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000044558295 175203257 /nfs/dbraw/zinc/20/32/57/175203257.db2.gz ZSSNABJVDDKIFC-ZDUSSCGKSA-N 2 2 273.355 2.687 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(F)c2cccnc12 ZINC000044558295 175203258 /nfs/dbraw/zinc/20/32/58/175203258.db2.gz ZSSNABJVDDKIFC-ZDUSSCGKSA-N 2 2 273.355 2.687 10 0 CFAELP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000044561178 175204941 /nfs/dbraw/zinc/20/49/41/175204941.db2.gz PXBRHIHHYKDXIN-GDBMZVCRSA-N 2 2 276.424 2.700 10 0 CFAELP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000044561178 175204943 /nfs/dbraw/zinc/20/49/43/175204943.db2.gz PXBRHIHHYKDXIN-GDBMZVCRSA-N 2 2 276.424 2.700 10 0 CFAELP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C)cc1 ZINC000044561442 175205226 /nfs/dbraw/zinc/20/52/26/175205226.db2.gz SAMVZNYASKCRSU-GDBMZVCRSA-N 2 2 276.424 2.700 10 0 CFAELP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C)cc1 ZINC000044561442 175205227 /nfs/dbraw/zinc/20/52/27/175205227.db2.gz SAMVZNYASKCRSU-GDBMZVCRSA-N 2 2 276.424 2.700 10 0 CFAELP Oc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000044747576 175243012 /nfs/dbraw/zinc/24/30/12/175243012.db2.gz XQLRLOGJXZCMKB-KRWDZBQOSA-N 2 2 274.408 2.845 10 0 CFAELP Nc1ccc(NCCCCn2cc[nH+]c2)c2cc[nH+]cc12 ZINC000045105709 175307578 /nfs/dbraw/zinc/30/75/78/175307578.db2.gz MQYAOHQUZIBWRP-UHFFFAOYSA-N 2 2 281.363 2.906 10 0 CFAELP CCC[NH2+][C@](C)(CCC[N@@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045367530 175362975 /nfs/dbraw/zinc/36/29/75/175362975.db2.gz QAXKZAKSMARTOT-GOEBONIOSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[NH2+][C@](C)(CCC[N@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045367530 175362976 /nfs/dbraw/zinc/36/29/76/175362976.db2.gz QAXKZAKSMARTOT-GOEBONIOSA-N 2 2 284.444 2.572 10 0 CFAELP CC[NH2+][C@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC000045373582 175365515 /nfs/dbraw/zinc/36/55/15/175365515.db2.gz WJYYBXHICTXQRO-HLLBOEOZSA-N 2 2 298.471 2.676 10 0 CFAELP CC[NH2+][C@](C)(CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC000045373582 175365516 /nfs/dbraw/zinc/36/55/16/175365516.db2.gz WJYYBXHICTXQRO-HLLBOEOZSA-N 2 2 298.471 2.676 10 0 CFAELP CC[NH2+][C@](C)(CCCC[NH+]1CCC(C)CC1)C(=O)OCC ZINC000045374814 175365891 /nfs/dbraw/zinc/36/58/91/175365891.db2.gz XXISGBNFHHBQNQ-QGZVFWFLSA-N 2 2 298.471 2.820 10 0 CFAELP COC(=O)[C@](C)(CCCC[NH+]1CCC(C)CC1)[NH2+]C(C)C ZINC000045374843 175366003 /nfs/dbraw/zinc/36/60/03/175366003.db2.gz VFSYRPBSJDEWHE-KRWDZBQOSA-N 2 2 298.471 2.818 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@@H+]1CCCC[C@@H]1C)[NH2+]C(C)C ZINC000045376169 175366490 /nfs/dbraw/zinc/36/64/90/175366490.db2.gz GDMLJFYRXADCLD-DOTOQJQBSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@H+]1CCCC[C@@H]1C)[NH2+]C(C)C ZINC000045376169 175366491 /nfs/dbraw/zinc/36/64/91/175366491.db2.gz GDMLJFYRXADCLD-DOTOQJQBSA-N 2 2 298.471 2.961 10 0 CFAELP COC(=O)[C@](C)(CCCC[NH+]1CCCCCC1)[NH2+]C1CC1 ZINC000045377480 175367269 /nfs/dbraw/zinc/36/72/69/175367269.db2.gz WJSMSVPEQCNDNW-KRWDZBQOSA-N 2 2 296.455 2.716 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[NH+]1CCCCC1)[NH2+]C(C)C ZINC000045378278 175367699 /nfs/dbraw/zinc/36/76/99/175367699.db2.gz GOAABQSGIWWCET-KRWDZBQOSA-N 2 2 298.471 2.962 10 0 CFAELP CCOC(=O)[C@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)[NH2+]C ZINC000045379705 175368954 /nfs/dbraw/zinc/36/89/54/175368954.db2.gz VTFFPSHFVWWSLQ-DZKIICNBSA-N 2 2 284.444 2.571 10 0 CFAELP CCC[NH2+][C@](C)(CCC[N@H+](CC)c1ccccc1)C(N)=O ZINC000045379949 175369432 /nfs/dbraw/zinc/36/94/32/175369432.db2.gz NOHHDNPAPWDHPL-QGZVFWFLSA-N 2 2 291.439 2.537 10 0 CFAELP CCC[NH2+][C@](C)(CCC[N@@H+](CC)c1ccccc1)C(N)=O ZINC000045379949 175369433 /nfs/dbraw/zinc/36/94/33/175369433.db2.gz NOHHDNPAPWDHPL-QGZVFWFLSA-N 2 2 291.439 2.537 10 0 CFAELP CCC[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)OC)C(C)C ZINC000045385909 175372480 /nfs/dbraw/zinc/37/24/80/175372480.db2.gz JOXNTXYCFUZGGZ-KRWDZBQOSA-N 2 2 298.471 2.961 10 0 CFAELP CCC[N@@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)OC)C(C)C ZINC000045385909 175372481 /nfs/dbraw/zinc/37/24/81/175372481.db2.gz JOXNTXYCFUZGGZ-KRWDZBQOSA-N 2 2 298.471 2.961 10 0 CFAELP CCC[N@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)OCC)C1CC1 ZINC000045387672 175373682 /nfs/dbraw/zinc/37/36/82/175373682.db2.gz RJSYNFCGQHNVPV-KRWDZBQOSA-N 2 2 296.455 2.715 10 0 CFAELP CCC[N@@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)OCC)C1CC1 ZINC000045387672 175373683 /nfs/dbraw/zinc/37/36/83/175373683.db2.gz RJSYNFCGQHNVPV-KRWDZBQOSA-N 2 2 296.455 2.715 10 0 CFAELP CC[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)OC)C1CCCC1 ZINC000045390672 175374720 /nfs/dbraw/zinc/37/47/20/175374720.db2.gz UKLXWLKSAPVHPR-QGZVFWFLSA-N 2 2 296.455 2.715 10 0 CFAELP CC[N@@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)OC)C1CCCC1 ZINC000045390672 175374722 /nfs/dbraw/zinc/37/47/22/175374722.db2.gz UKLXWLKSAPVHPR-QGZVFWFLSA-N 2 2 296.455 2.715 10 0 CFAELP CCCOc1ccc(-c2[nH+]c(C)[nH]c2CC[NH3+])cc1 ZINC000071585475 176210857 /nfs/dbraw/zinc/21/08/57/176210857.db2.gz WUCWUOPLUJPESM-UHFFFAOYSA-N 2 2 259.353 2.675 10 0 CFAELP Cc1[nH+]c(C[NH+]2CCC3(CCCO3)CC2)c2ccccn12 ZINC000071661978 176242524 /nfs/dbraw/zinc/24/25/24/176242524.db2.gz IPIUDGBKDDKRDW-UHFFFAOYSA-N 2 2 285.391 2.788 10 0 CFAELP C[C@H]([NH2+]Cc1ccnc(N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000193543225 270239102 /nfs/dbraw/zinc/23/91/02/270239102.db2.gz YXECMGTVQITWJN-ZDUSSCGKSA-N 2 2 293.374 2.700 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000233479856 276168004 /nfs/dbraw/zinc/16/80/04/276168004.db2.gz WTJRAARDYSORMF-RHSMWYFYSA-N 2 2 274.408 2.844 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000233479856 276168005 /nfs/dbraw/zinc/16/80/05/276168005.db2.gz WTJRAARDYSORMF-RHSMWYFYSA-N 2 2 274.408 2.844 10 0 CFAELP COc1ccc2ccccc2c1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261634289 278000882 /nfs/dbraw/zinc/00/08/82/278000882.db2.gz FDZLQHZZFHGAOV-BLLLJJGKSA-N 2 2 270.376 2.627 10 0 CFAELP COc1ccc2ccccc2c1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261634289 278000883 /nfs/dbraw/zinc/00/08/83/278000883.db2.gz FDZLQHZZFHGAOV-BLLLJJGKSA-N 2 2 270.376 2.627 10 0 CFAELP COc1cccc2c(N3CC[N@@H+]4CCC[C@H]4C3)cc(C)[nH+]c12 ZINC000247116150 278023978 /nfs/dbraw/zinc/02/39/78/278023978.db2.gz UGAGXXDIRZTKKT-AWEZNQCLSA-N 2 2 297.402 2.836 10 0 CFAELP COc1cccc2c(N3CC[N@H+]4CCC[C@H]4C3)cc(C)[nH+]c12 ZINC000247116150 278023979 /nfs/dbraw/zinc/02/39/79/278023979.db2.gz UGAGXXDIRZTKKT-AWEZNQCLSA-N 2 2 297.402 2.836 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cncc(Br)c2)C1 ZINC000566499854 290396049 /nfs/dbraw/zinc/39/60/49/290396049.db2.gz AYOGCINHODPJBQ-GXFFZTMASA-N 2 2 298.228 2.589 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cncc(Br)c2)C1 ZINC000566499854 290396051 /nfs/dbraw/zinc/39/60/51/290396051.db2.gz AYOGCINHODPJBQ-GXFFZTMASA-N 2 2 298.228 2.589 10 0 CFAELP CC(C)C1CCC(C[NH3+])([NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000054556937 519561086 /nfs/dbraw/zinc/56/10/86/519561086.db2.gz CIFOPNHLSDEWHW-FXQLRMTLSA-N 2 2 268.445 2.639 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000049204535 519793542 /nfs/dbraw/zinc/79/35/42/519793542.db2.gz OCADZSKAXZVZHP-HUUCEWRRSA-N 2 2 284.831 2.549 10 0 CFAELP CC[NH2+]C[C@H]1CCC[N@H+]1CCCOc1ccccc1 ZINC000061815923 519976062 /nfs/dbraw/zinc/97/60/62/519976062.db2.gz KJUCJEIWMBKJRX-OAHLLOKOSA-N 2 2 262.397 2.529 10 0 CFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)Cc1cccc(Cl)c1 ZINC000052944544 520107133 /nfs/dbraw/zinc/10/71/33/520107133.db2.gz YAVYPVJZZSHKGH-CYBMUJFWSA-N 2 2 263.772 2.826 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000049196125 519793874 /nfs/dbraw/zinc/79/38/74/519793874.db2.gz GJVMMMAMQRQLKM-SWLSCSKDSA-N 2 2 250.386 2.629 10 0 CFAELP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000049197580 519847756 /nfs/dbraw/zinc/84/77/56/519847756.db2.gz POQDELDQSMSMGQ-WBVHZDCISA-N 3 2 283.504 2.673 10 0 CFAELP CCCC1CC[NH+]([C@@H](c2cnn(C)c2)[C@H]([NH3+])CC)CC1 ZINC000050892928 519903090 /nfs/dbraw/zinc/90/30/90/519903090.db2.gz XPNCUHZZCKNXHF-CVEARBPZSA-N 2 2 278.444 2.711 10 0 CFAELP CCCC1CC[NH+]([C@H](c2ccncc2)[C@@H](C)[NH3+])CC1 ZINC000050893107 519903158 /nfs/dbraw/zinc/90/31/58/519903158.db2.gz OANXJELCXHZMPL-CJNGLKHVSA-N 2 2 261.413 2.982 10 0 CFAELP CC[NH2+]C1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000050701828 519908881 /nfs/dbraw/zinc/90/88/81/519908881.db2.gz SIJMNHBBYMMZJO-UHFFFAOYSA-N 2 2 262.397 2.578 10 0 CFAELP CC[NH2+]C[C@@H](C(C)C)[N@H+](CCOC)C(CC)CC ZINC000052573259 519930338 /nfs/dbraw/zinc/93/03/38/519930338.db2.gz UMTYONWXBOWBKW-HNNXBMFYSA-N 2 2 258.450 2.758 10 0 CFAELP CC[NH2+]C[C@@H](C(C)C)[N@@H+](CCOC)C(CC)CC ZINC000052573259 519930343 /nfs/dbraw/zinc/93/03/43/519930343.db2.gz UMTYONWXBOWBKW-HNNXBMFYSA-N 2 2 258.450 2.758 10 0 CFAELP CCC[NH2+]C[C@](C)(CCC)C[N@@H+]1CCOC[C@@H]1C ZINC000051216719 519940534 /nfs/dbraw/zinc/94/05/34/519940534.db2.gz OGIKCKFALGYPOR-GJZGRUSLSA-N 2 2 256.434 2.513 10 0 CFAELP CCC[NH2+]C[C@](C)(CCC)C[N@H+]1CCOC[C@@H]1C ZINC000051216719 519940545 /nfs/dbraw/zinc/94/05/45/519940545.db2.gz OGIKCKFALGYPOR-GJZGRUSLSA-N 2 2 256.434 2.513 10 0 CFAELP CC[NH2+]C[C@H]1CCC[N@@H+]1CCCOc1ccccc1 ZINC000061815923 519976054 /nfs/dbraw/zinc/97/60/54/519976054.db2.gz KJUCJEIWMBKJRX-OAHLLOKOSA-N 2 2 262.397 2.529 10 0 CFAELP Cc1ccc2cc(C[N@@H+]3CCCC[C@H]3C[NH3+])ccc2n1 ZINC000097862608 534467325 /nfs/dbraw/zinc/46/73/25/534467325.db2.gz QXHZHYRWODUPAN-INIZCTEOSA-N 2 2 269.392 2.856 10 0 CFAELP Cc1ccc2cc(C[N@H+]3CCCC[C@H]3C[NH3+])ccc2n1 ZINC000097862608 534467333 /nfs/dbraw/zinc/46/73/33/534467333.db2.gz QXHZHYRWODUPAN-INIZCTEOSA-N 2 2 269.392 2.856 10 0 CFAELP CC1(C)C[N@H+](Cc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000258910029 520479557 /nfs/dbraw/zinc/47/95/57/520479557.db2.gz VSTGXHQEUSXEFS-ZDUSSCGKSA-N 2 2 252.789 2.899 10 0 CFAELP CC1(C)C[N@@H+](Cc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000258910029 520479562 /nfs/dbraw/zinc/47/95/62/520479562.db2.gz VSTGXHQEUSXEFS-ZDUSSCGKSA-N 2 2 252.789 2.899 10 0 CFAELP CC[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000069237409 520965054 /nfs/dbraw/zinc/96/50/54/520965054.db2.gz BYHOBYNZNGKEAJ-HNNXBMFYSA-N 2 2 250.361 2.866 10 0 CFAELP CC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000069237409 520965062 /nfs/dbraw/zinc/96/50/62/520965062.db2.gz BYHOBYNZNGKEAJ-HNNXBMFYSA-N 2 2 250.361 2.866 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000067220103 521648735 /nfs/dbraw/zinc/64/87/35/521648735.db2.gz IEZVRWYKWLWBIP-INIZCTEOSA-N 2 2 269.392 2.809 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000067220103 521648739 /nfs/dbraw/zinc/64/87/39/521648739.db2.gz IEZVRWYKWLWBIP-INIZCTEOSA-N 2 2 269.392 2.809 10 0 CFAELP C[NH2+]C[C@@H](C(C)C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443420 522024211 /nfs/dbraw/zinc/02/42/11/522024211.db2.gz PGQJQOUQYFXLKI-INIZCTEOSA-N 2 2 295.858 2.706 10 0 CFAELP C[NH2+]Cc1cc(C[NH+]2Cc3ccccc3C2)oc1C ZINC000052374329 522110287 /nfs/dbraw/zinc/11/02/87/522110287.db2.gz SHJQXBSCZRIYBP-UHFFFAOYSA-N 2 2 256.349 2.823 10 0 CFAELP CC[C@@H](C[NH2+]C1CC1)[N@H+](C)Cc1ccc(F)cc1 ZINC000052346126 522545405 /nfs/dbraw/zinc/54/54/05/522545405.db2.gz JEHFCCWXZYVERB-HNNXBMFYSA-N 2 2 250.361 2.788 10 0 CFAELP CC[C@@H](C[NH2+]C1CC1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346126 522545417 /nfs/dbraw/zinc/54/54/17/522545417.db2.gz JEHFCCWXZYVERB-HNNXBMFYSA-N 2 2 250.361 2.788 10 0 CFAELP CNc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000050814624 522611061 /nfs/dbraw/zinc/61/10/61/522611061.db2.gz ATWQCOVERJICID-UHFFFAOYSA-N 2 2 288.439 2.574 10 0 CFAELP CNc1[nH+]cccc1Cn1c(C)[nH+]c2ccccc21 ZINC000052732979 522711528 /nfs/dbraw/zinc/71/15/28/522711528.db2.gz PRJVCLLZZGSXSZ-UHFFFAOYSA-N 2 2 252.321 2.830 10 0 CFAELP C[N@H+](Cc1ccc(F)cc1F)C1(C[NH3+])CCCC1 ZINC000050872205 523259226 /nfs/dbraw/zinc/25/92/26/523259226.db2.gz JJKOTLKIOCJXAZ-UHFFFAOYSA-N 2 2 254.324 2.668 10 0 CFAELP C[N@@H+](Cc1ccc(F)cc1F)C1(C[NH3+])CCCC1 ZINC000050872205 523259235 /nfs/dbraw/zinc/25/92/35/523259235.db2.gz JJKOTLKIOCJXAZ-UHFFFAOYSA-N 2 2 254.324 2.668 10 0 CFAELP C[N@H+]([C@H](C[NH3+])c1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000062709778 523626711 /nfs/dbraw/zinc/62/67/11/523626711.db2.gz RKIIXMKXNMBSHE-CYBMUJFWSA-N 2 2 272.314 2.978 10 0 CFAELP C[N@@H+]([C@H](C[NH3+])c1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000062709778 523626720 /nfs/dbraw/zinc/62/67/20/523626720.db2.gz RKIIXMKXNMBSHE-CYBMUJFWSA-N 2 2 272.314 2.978 10 0 CFAELP C[N@@H+]1CCCC[C@@H]1CC[NH2+]Cc1ccc(F)cc1F ZINC000052206331 523792759 /nfs/dbraw/zinc/79/27/59/523792759.db2.gz FUKQKROJLVEECI-CQSZACIVSA-N 2 2 268.351 2.929 10 0 CFAELP C[N@H+]1CCCC[C@@H]1CC[NH2+]Cc1ccc(F)cc1F ZINC000052206331 523792765 /nfs/dbraw/zinc/79/27/65/523792765.db2.gz FUKQKROJLVEECI-CQSZACIVSA-N 2 2 268.351 2.929 10 0 CFAELP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(F)cc1F)C2 ZINC000051016559 524030855 /nfs/dbraw/zinc/03/08/55/524030855.db2.gz NUUPJUSISRMYQR-AGUYFDCRSA-N 2 2 266.335 2.680 10 0 CFAELP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(F)cc1F)C2 ZINC000051016559 524030859 /nfs/dbraw/zinc/03/08/59/524030859.db2.gz NUUPJUSISRMYQR-AGUYFDCRSA-N 2 2 266.335 2.680 10 0 CFAELP COc1cccc([C@@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)c1 ZINC000049195881 524092666 /nfs/dbraw/zinc/09/26/66/524092666.db2.gz YHOJMMZWTRDYDH-CJNGLKHVSA-N 2 2 264.413 2.932 10 0 CFAELP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC000049149537 524234494 /nfs/dbraw/zinc/23/44/94/524234494.db2.gz DDCIVIZDBNHKCP-CABCVRRESA-N 2 2 276.424 2.787 10 0 CFAELP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC000049149539 524235506 /nfs/dbraw/zinc/23/55/06/524235506.db2.gz DDCIVIZDBNHKCP-HUUCEWRRSA-N 2 2 276.424 2.787 10 0 CFAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccccc2F)[C@@H]1C ZINC000050563518 524244597 /nfs/dbraw/zinc/24/45/97/524244597.db2.gz GBEYESCOVTZLOM-JMSVASOKSA-N 2 2 250.361 2.946 10 0 CFAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccccc2F)[C@@H]1C ZINC000050563518 524244605 /nfs/dbraw/zinc/24/46/05/524244605.db2.gz GBEYESCOVTZLOM-JMSVASOKSA-N 2 2 250.361 2.946 10 0 CFAELP C[C@@H]1CCC[C@@](C[NH2+]CC[C@@H]2CCCC[N@@H+]2C)([NH+](C)C)C1 ZINC000052205801 524339211 /nfs/dbraw/zinc/33/92/11/524339211.db2.gz AWDWVTMSBAZWDL-FGTMMUONSA-N 3 2 295.515 2.961 10 0 CFAELP C[C@@H]1CCC[C@@](C[NH2+]CC[C@@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000052205801 524339220 /nfs/dbraw/zinc/33/92/20/524339220.db2.gz AWDWVTMSBAZWDL-FGTMMUONSA-N 3 2 295.515 2.961 10 0 CFAELP Cc1cccc(N2CC[NH+]([C@@H](C)CC[NH2+]C(C)C)CC2)c1 ZINC000052418958 524560664 /nfs/dbraw/zinc/56/06/64/524560664.db2.gz JISKOUZEPRFLAN-KRWDZBQOSA-N 2 2 289.467 2.894 10 0 CFAELP C[C@@H](C[NH2+]C(C)(C)C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000052417302 524733965 /nfs/dbraw/zinc/73/39/65/524733965.db2.gz FHGWSMXLPPDICP-INIZCTEOSA-N 2 2 289.467 2.833 10 0 CFAELP COc1ccccc1[C@H](C[NH3+])[NH+]1CCC(C)(C)CC1 ZINC000061818317 524789503 /nfs/dbraw/zinc/78/95/03/524789503.db2.gz FAXMQQPSSWKTTM-AWEZNQCLSA-N 2 2 262.397 2.817 10 0 CFAELP Cc1cc(F)ccc1C[NH2+][C@@H](C[NH+](C)C)C(C)C ZINC000050577527 524978529 /nfs/dbraw/zinc/97/85/29/524978529.db2.gz IQQCBSPVNHEJOD-HNNXBMFYSA-N 2 2 252.377 2.810 10 0 CFAELP Cc1ccccc1C[N@@H+](C)[C@@]1(C[NH3+])CCCSC1 ZINC000061590114 525130816 /nfs/dbraw/zinc/13/08/16/525130816.db2.gz DWWWMGNQUCEVDG-OAHLLOKOSA-N 2 2 264.438 2.651 10 0 CFAELP Cc1ccccc1C[N@H+](C)[C@@]1(C[NH3+])CCCSC1 ZINC000061590114 525130823 /nfs/dbraw/zinc/13/08/23/525130823.db2.gz DWWWMGNQUCEVDG-OAHLLOKOSA-N 2 2 264.438 2.651 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000050596449 525179519 /nfs/dbraw/zinc/17/95/19/525179519.db2.gz LJYDEHYXVARJBC-DVOMOZLQSA-N 2 2 276.424 2.981 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000050596449 525179526 /nfs/dbraw/zinc/17/95/26/525179526.db2.gz LJYDEHYXVARJBC-DVOMOZLQSA-N 2 2 276.424 2.981 10 0 CFAELP Cc1c(C)n([C@@H](C[NH+](C)C)C(C)C)c2nc(C)[nH+]c(N)c12 ZINC000049223941 525688456 /nfs/dbraw/zinc/68/84/56/525688456.db2.gz JLWMABUCRAUONB-ZDUSSCGKSA-N 2 2 289.427 2.697 10 0 CFAELP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C)s1 ZINC000049538740 526753475 /nfs/dbraw/zinc/75/34/75/526753475.db2.gz VPQFJWKEZXAYNC-CABZTGNLSA-N 2 2 255.431 2.784 10 0 CFAELP Cc1oc(C[NH3+])cc1C[N@H+](Cc1ccco1)C1CC1 ZINC000052370871 526769799 /nfs/dbraw/zinc/76/97/99/526769799.db2.gz OJYSSECXYNSJKP-UHFFFAOYSA-N 2 2 260.337 2.804 10 0 CFAELP Cc1oc(C[NH3+])cc1C[N@@H+](Cc1ccco1)C1CC1 ZINC000052370871 526769803 /nfs/dbraw/zinc/76/98/03/526769803.db2.gz OJYSSECXYNSJKP-UHFFFAOYSA-N 2 2 260.337 2.804 10 0 CFAELP Cc1oc(C[N@@H+]2CCO[C@@H](C)C2)cc1C[NH2+]C(C)(C)C ZINC000052382372 526770814 /nfs/dbraw/zinc/77/08/14/526770814.db2.gz YCKKEEVCGOZJJS-LBPRGKRZSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1oc(C[N@H+]2CCO[C@@H](C)C2)cc1C[NH2+]C(C)(C)C ZINC000052382372 526770815 /nfs/dbraw/zinc/77/08/15/526770815.db2.gz YCKKEEVCGOZJJS-LBPRGKRZSA-N 2 2 280.412 2.697 10 0 CFAELP Cc1[nH]c(C[NH2+]C2CCC(C(F)(F)F)CC2)c[nH+]1 ZINC000054822055 526888257 /nfs/dbraw/zinc/88/82/57/526888257.db2.gz MGMBKGGVVWYPMW-UHFFFAOYSA-N 2 2 261.291 2.929 10 0 CFAELP Clc1ccccc1C[N@@H+]1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000053011274 526989775 /nfs/dbraw/zinc/98/97/75/526989775.db2.gz LRLVDBRPGQRGHK-LBPRGKRZSA-N 2 2 264.800 2.914 10 0 CFAELP Clc1ccccc1C[N@H+]1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000053011274 526989780 /nfs/dbraw/zinc/98/97/80/526989780.db2.gz LRLVDBRPGQRGHK-LBPRGKRZSA-N 2 2 264.800 2.914 10 0 CFAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)Cc1ccc(C(F)(F)F)cc1 ZINC000050518303 527391175 /nfs/dbraw/zinc/39/11/75/527391175.db2.gz OKWPQCHSGBFCBT-NSHDSACASA-N 2 2 269.270 2.541 10 0 CFAELP c1ccc(C[N@H+]2CCCC[C@@H]2C[NH2+]C2CSC2)cc1 ZINC000396469958 574355625 /nfs/dbraw/zinc/35/56/25/574355625.db2.gz WJWVJYUCTQALJQ-MRXNPFEDSA-N 2 2 276.449 2.746 10 0 CFAELP c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH2+]C2CSC2)cc1 ZINC000396469958 574355630 /nfs/dbraw/zinc/35/56/30/574355630.db2.gz WJWVJYUCTQALJQ-MRXNPFEDSA-N 2 2 276.449 2.746 10 0 CFAELP Cc1nc([C@@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)cs1 ZINC000261915260 618192488 /nfs/dbraw/zinc/19/24/88/618192488.db2.gz ZCPRNAFQIPAPDK-UONOGXRCSA-N 2 2 265.426 2.588 10 0 CFAELP Cc1nc([C@@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)cs1 ZINC000261915260 618192490 /nfs/dbraw/zinc/19/24/90/618192490.db2.gz ZCPRNAFQIPAPDK-UONOGXRCSA-N 2 2 265.426 2.588 10 0 CFAELP Fc1cccc(-c2c[nH+]c3n2CCC32CC[NH2+]CC2)c1 ZINC000096090532 185095013 /nfs/dbraw/zinc/09/50/13/185095013.db2.gz RWYMZWIOPDXFNO-UHFFFAOYSA-N 2 2 271.339 2.714 10 0 CFAELP [NH3+]CC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000019368757 346242223 /nfs/dbraw/zinc/24/22/23/346242223.db2.gz SDIDMUGFQCMLAB-HNNXBMFYSA-N 2 2 260.768 2.978 10 0 CFAELP COc1cccc2c(NCCC[NH+](C)C)cc[nH+]c12 ZINC000038600331 346338499 /nfs/dbraw/zinc/33/84/99/346338499.db2.gz AKIUGRUZKIXRRI-UHFFFAOYSA-N 2 2 259.353 2.607 10 0 CFAELP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC000115491980 347780634 /nfs/dbraw/zinc/78/06/34/347780634.db2.gz XWQQHNDVAHVAEZ-SJORKVTESA-N 2 2 270.351 2.752 10 0 CFAELP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC000115491980 347780637 /nfs/dbraw/zinc/78/06/37/347780637.db2.gz XWQQHNDVAHVAEZ-SJORKVTESA-N 2 2 270.351 2.752 10 0 CFAELP C[C@H]1C[NH2+]C2(CC[NH+](Cc3ccccc3)CC2)S1 ZINC000159136908 348010468 /nfs/dbraw/zinc/01/04/68/348010468.db2.gz AOSARQWAIAKARJ-ZDUSSCGKSA-N 2 2 262.422 2.704 10 0 CFAELP C[C@@H]1C[NH2+]C2(CC[NH+](Cc3ccccc3)CC2)SC1 ZINC000159169591 348011724 /nfs/dbraw/zinc/01/17/24/348011724.db2.gz GIEWJJYYWBHDTH-CQSZACIVSA-N 2 2 276.449 2.951 10 0 CFAELP CC[NH2+]CCCNc1[nH+]ccc(C)c1Br ZINC000233512318 348217411 /nfs/dbraw/zinc/21/74/11/348217411.db2.gz POUJMGVTONHGKJ-UHFFFAOYSA-N 2 2 272.190 2.564 10 0 CFAELP [NH3+][C@]12Cc3ccccc3[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000225840929 348180419 /nfs/dbraw/zinc/18/04/19/348180419.db2.gz DDVSAHGGRSVPRQ-MSOLQXFVSA-N 2 2 264.372 2.540 10 0 CFAELP [NH3+][C@]12Cc3ccccc3[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000225840929 348180421 /nfs/dbraw/zinc/18/04/21/348180421.db2.gz DDVSAHGGRSVPRQ-MSOLQXFVSA-N 2 2 264.372 2.540 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382445863 348529701 /nfs/dbraw/zinc/52/97/01/348529701.db2.gz AQYISAAJMBWHQY-OCCSQVGLSA-N 2 2 255.365 2.504 10 0 CFAELP [NH3+]C[C@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000584621000 348692868 /nfs/dbraw/zinc/69/28/68/348692868.db2.gz BQCPLFWSXRVBGH-YPMHNXCESA-N 2 2 290.304 2.580 10 0 CFAELP [NH3+]C[C@H](Cc1ccc(F)cc1)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000584621000 348692869 /nfs/dbraw/zinc/69/28/69/348692869.db2.gz BQCPLFWSXRVBGH-YPMHNXCESA-N 2 2 290.304 2.580 10 0 CFAELP [NH3+]C[C@@H]1CCCC[C@@H]1Nc1cccc(-n2cc[nH+]c2)c1 ZINC000089141482 179720105 /nfs/dbraw/zinc/72/01/05/179720105.db2.gz WQICUNUXKNJBGZ-BBRMVZONSA-N 2 2 270.380 2.802 10 0 CFAELP CCn1cccc1C[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000091023093 180088683 /nfs/dbraw/zinc/08/86/83/180088683.db2.gz QPCAOOAQXKGDCZ-UHFFFAOYSA-N 2 2 282.391 2.956 10 0 CFAELP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000091307980 180132271 /nfs/dbraw/zinc/13/22/71/180132271.db2.gz WEAOJGVTLIFPCG-DOTOQJQBSA-N 2 2 274.408 2.830 10 0 CFAELP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000091307980 180132273 /nfs/dbraw/zinc/13/22/73/180132273.db2.gz WEAOJGVTLIFPCG-DOTOQJQBSA-N 2 2 274.408 2.830 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC000105897742 186086594 /nfs/dbraw/zinc/08/65/94/186086594.db2.gz XJVUGEOKLJNWLD-CQSZACIVSA-N 2 2 288.395 2.887 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC000105897742 186086596 /nfs/dbraw/zinc/08/65/96/186086596.db2.gz XJVUGEOKLJNWLD-CQSZACIVSA-N 2 2 288.395 2.887 10 0 CFAELP CC[N@@H+]1CCO[C@H](CNc2[nH+]c3ccccc3cc2C)C1 ZINC000133199579 539802510 /nfs/dbraw/zinc/80/25/10/539802510.db2.gz LXWHSKQEODKOBL-OAHLLOKOSA-N 2 2 285.391 2.676 10 0 CFAELP CC[N@H+]1CCO[C@H](CNc2[nH+]c3ccccc3cc2C)C1 ZINC000133199579 539802511 /nfs/dbraw/zinc/80/25/11/539802511.db2.gz LXWHSKQEODKOBL-OAHLLOKOSA-N 2 2 285.391 2.676 10 0 CFAELP C[N@@H+]1CCO[C@@H](CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000108945783 186237316 /nfs/dbraw/zinc/23/73/16/186237316.db2.gz RUXSSMMJTCHYJZ-LBPRGKRZSA-N 2 2 291.782 2.631 10 0 CFAELP C[N@H+]1CCO[C@@H](CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000108945783 186237318 /nfs/dbraw/zinc/23/73/18/186237318.db2.gz RUXSSMMJTCHYJZ-LBPRGKRZSA-N 2 2 291.782 2.631 10 0 CFAELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(CC(C)C)cc2)C1 ZINC000134620666 539839536 /nfs/dbraw/zinc/83/95/36/539839536.db2.gz KQFFSNZZJJNFON-GOSISDBHSA-N 2 2 290.451 2.695 10 0 CFAELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(CC(C)C)cc2)C1 ZINC000134620666 539839539 /nfs/dbraw/zinc/83/95/39/539839539.db2.gz KQFFSNZZJJNFON-GOSISDBHSA-N 2 2 290.451 2.695 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1cccc2ncccc21 ZINC000616614162 352384901 /nfs/dbraw/zinc/38/49/01/352384901.db2.gz AHWRNITYDAFCBZ-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1cccc2ncccc21 ZINC000616614162 352384905 /nfs/dbraw/zinc/38/49/05/352384905.db2.gz AHWRNITYDAFCBZ-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1ccc2ccccc2n1 ZINC000616616195 352385801 /nfs/dbraw/zinc/38/58/01/352385801.db2.gz LGIPNMJIYBWGHH-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1ccc2ccccc2n1 ZINC000616616195 352385803 /nfs/dbraw/zinc/38/58/03/352385803.db2.gz LGIPNMJIYBWGHH-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1ccc2nnccc2c1 ZINC000616623497 352388043 /nfs/dbraw/zinc/38/80/43/352388043.db2.gz GMWSECBKSRMZHD-MRXNPFEDSA-N 2 2 270.380 2.506 10 0 CFAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1ccc2nnccc2c1 ZINC000616623497 352388044 /nfs/dbraw/zinc/38/80/44/352388044.db2.gz GMWSECBKSRMZHD-MRXNPFEDSA-N 2 2 270.380 2.506 10 0 CFAELP CCOC(=O)c1cccc([C@H]2CCCCC[N@@H+]2CC[NH3+])c1 ZINC000616623479 352388311 /nfs/dbraw/zinc/38/83/11/352388311.db2.gz GDGZOCRDPFVHHZ-MRXNPFEDSA-N 2 2 290.407 2.739 10 0 CFAELP CCOC(=O)c1cccc([C@H]2CCCCC[N@H+]2CC[NH3+])c1 ZINC000616623479 352388316 /nfs/dbraw/zinc/38/83/16/352388316.db2.gz GDGZOCRDPFVHHZ-MRXNPFEDSA-N 2 2 290.407 2.739 10 0 CFAELP CC(=O)Nc1ccc([C@@H]2CCCCC[N@@H+]2CC[NH3+])cc1 ZINC000616625464 352389218 /nfs/dbraw/zinc/38/92/18/352389218.db2.gz NUFQEXHPIOPHKS-INIZCTEOSA-N 2 2 275.396 2.521 10 0 CFAELP CC(=O)Nc1ccc([C@@H]2CCCCC[N@H+]2CC[NH3+])cc1 ZINC000616625464 352389219 /nfs/dbraw/zinc/38/92/19/352389219.db2.gz NUFQEXHPIOPHKS-INIZCTEOSA-N 2 2 275.396 2.521 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2cccc(Cl)c2)C1 ZINC000616628228 352390908 /nfs/dbraw/zinc/39/09/08/352390908.db2.gz IDTRWVDBWKJGAH-CYBMUJFWSA-N 2 2 252.789 2.868 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2cccc(Cl)c2)C1 ZINC000616628228 352390912 /nfs/dbraw/zinc/39/09/12/352390912.db2.gz IDTRWVDBWKJGAH-CYBMUJFWSA-N 2 2 252.789 2.868 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c(OC)c2)C1 ZINC000623551010 353669476 /nfs/dbraw/zinc/66/94/76/353669476.db2.gz HQKQSPKJVJFQKG-LBPRGKRZSA-N 2 2 268.788 2.532 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c(OC)c2)C1 ZINC000623551010 353669478 /nfs/dbraw/zinc/66/94/78/353669478.db2.gz HQKQSPKJVJFQKG-LBPRGKRZSA-N 2 2 268.788 2.532 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623887174 353749286 /nfs/dbraw/zinc/74/92/86/353749286.db2.gz WPHXGIQQKJBSMB-ZNMIVQPWSA-N 2 2 256.434 2.510 10 0 CFAELP CCC[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000624557791 353906397 /nfs/dbraw/zinc/90/63/97/353906397.db2.gz WISLCHDEZCXITC-WBVHZDCISA-N 2 2 278.440 2.600 10 0 CFAELP CCC[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000624557791 353906399 /nfs/dbraw/zinc/90/63/99/353906399.db2.gz WISLCHDEZCXITC-WBVHZDCISA-N 2 2 278.440 2.600 10 0 CFAELP CCC[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000624557791 353906401 /nfs/dbraw/zinc/90/64/01/353906401.db2.gz WISLCHDEZCXITC-WBVHZDCISA-N 2 2 278.440 2.600 10 0 CFAELP CCC[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000624557791 353906404 /nfs/dbraw/zinc/90/64/04/353906404.db2.gz WISLCHDEZCXITC-WBVHZDCISA-N 2 2 278.440 2.600 10 0 CFAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1Cl ZINC000177244842 189038923 /nfs/dbraw/zinc/03/89/23/189038923.db2.gz MBJATGVCMCLZJJ-UONOGXRCSA-N 2 2 296.842 2.837 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000178323139 189106379 /nfs/dbraw/zinc/10/63/79/189106379.db2.gz ZIUFEANODNRWKK-CQSZACIVSA-N 2 2 290.798 2.905 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000178323139 189106380 /nfs/dbraw/zinc/10/63/80/189106380.db2.gz ZIUFEANODNRWKK-CQSZACIVSA-N 2 2 290.798 2.905 10 0 CFAELP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1F ZINC000180211020 189243669 /nfs/dbraw/zinc/24/36/69/189243669.db2.gz IDUGIPUPIHKTPU-PBHICJAKSA-N 2 2 294.414 2.713 10 0 CFAELP CC[C@@H](C)Oc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000041166574 372824052 /nfs/dbraw/zinc/82/40/52/372824052.db2.gz XVDKBQPYFJXPMW-CQSZACIVSA-N 2 2 262.397 2.659 10 0 CFAELP CC[C@@H](C)Oc1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000041166574 372824061 /nfs/dbraw/zinc/82/40/61/372824061.db2.gz XVDKBQPYFJXPMW-CQSZACIVSA-N 2 2 262.397 2.659 10 0 CFAELP CC(C)n1c[nH+]cc1C[NH2+][C@H]1COc2ccccc21 ZINC000090209400 375005005 /nfs/dbraw/zinc/00/50/05/375005005.db2.gz ZXLDOCGQBLQBIB-AWEZNQCLSA-N 2 2 257.337 2.687 10 0 CFAELP [NH3+]CC[C@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000090804016 375031817 /nfs/dbraw/zinc/03/18/17/375031817.db2.gz WDHKVHAQQCKMII-SNVBAGLBSA-N 2 2 273.302 2.666 10 0 CFAELP Cc1cccnc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000093175152 375193729 /nfs/dbraw/zinc/19/37/29/375193729.db2.gz HSUPNXKTKWUJMQ-HNNXBMFYSA-N 2 2 282.391 2.719 10 0 CFAELP Cc1cccnc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000093175152 375193733 /nfs/dbraw/zinc/19/37/33/375193733.db2.gz HSUPNXKTKWUJMQ-HNNXBMFYSA-N 2 2 282.391 2.719 10 0 CFAELP Cc1c[nH+]ccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000120285705 376585580 /nfs/dbraw/zinc/58/55/80/376585580.db2.gz ZZPLHLVEENPVIT-INIZCTEOSA-N 2 2 298.390 2.814 10 0 CFAELP CCO[C@@H]1C[C@@H]([N@H+](C)CCn2cc[nH+]c2)C12CCCC2 ZINC000131902896 377776543 /nfs/dbraw/zinc/77/65/43/377776543.db2.gz GIHLQHNSJYYQGX-HUUCEWRRSA-N 2 2 277.412 2.553 10 0 CFAELP CCO[C@@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2)C12CCCC2 ZINC000131902896 377776546 /nfs/dbraw/zinc/77/65/46/377776546.db2.gz GIHLQHNSJYYQGX-HUUCEWRRSA-N 2 2 277.412 2.553 10 0 CFAELP c1cc(N2CCCCC2)[nH+]cc1N[C@H]1CCC[NH2+]CC1 ZINC000133656043 377947500 /nfs/dbraw/zinc/94/75/00/377947500.db2.gz UTDIIMFRNUKMEP-AWEZNQCLSA-N 2 2 274.412 2.626 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1(C)C ZINC000152235044 378404105 /nfs/dbraw/zinc/40/41/05/378404105.db2.gz WZOYLXIJOUMDFT-LJISPDSOSA-N 2 2 268.445 2.508 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C1(C)C ZINC000152235044 378404108 /nfs/dbraw/zinc/40/41/08/378404108.db2.gz WZOYLXIJOUMDFT-LJISPDSOSA-N 2 2 268.445 2.508 10 0 CFAELP CC(C)n1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000172013279 379471594 /nfs/dbraw/zinc/47/15/94/379471594.db2.gz VOPKZRRNNUKCRG-OAHLLOKOSA-N 2 2 299.422 2.793 10 0 CFAELP CC(C)n1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000172013279 379471604 /nfs/dbraw/zinc/47/16/04/379471604.db2.gz VOPKZRRNNUKCRG-OAHLLOKOSA-N 2 2 299.422 2.793 10 0 CFAELP c1csc([C@@H]2CCCC[N@H+]2C[C@@H]2CCC[NH2+]C2)n1 ZINC000335866109 380019181 /nfs/dbraw/zinc/01/91/81/380019181.db2.gz ZEANKGWJQUAFTL-OLZOCXBDSA-N 2 2 265.426 2.670 10 0 CFAELP c1csc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)n1 ZINC000335866109 380019183 /nfs/dbraw/zinc/01/91/83/380019183.db2.gz ZEANKGWJQUAFTL-OLZOCXBDSA-N 2 2 265.426 2.670 10 0 CFAELP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000177711638 380370477 /nfs/dbraw/zinc/37/04/77/380370477.db2.gz XOTXNUYWZUGJGI-GOSISDBHSA-N 2 2 298.434 2.788 10 0 CFAELP CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000177711638 380370484 /nfs/dbraw/zinc/37/04/84/380370484.db2.gz XOTXNUYWZUGJGI-GOSISDBHSA-N 2 2 298.434 2.788 10 0 CFAELP C[C@@H]([NH2+]Cc1ccsc1Br)[C@H]1CC[NH2+]C1 ZINC000400730025 380864593 /nfs/dbraw/zinc/86/45/93/380864593.db2.gz QIAORUKOPBJMQE-BDAKNGLRSA-N 2 2 289.242 2.598 10 0 CFAELP C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400325939 380854615 /nfs/dbraw/zinc/85/46/15/380854615.db2.gz AILFZGHQMTVYAB-QRTARXTBSA-N 2 2 270.376 2.957 10 0 CFAELP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000400391203 380857065 /nfs/dbraw/zinc/85/70/65/380857065.db2.gz NIMGHCIJENKOID-BHDSKKPTSA-N 2 2 254.324 2.756 10 0 CFAELP COC1CC([NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000347365236 381101806 /nfs/dbraw/zinc/10/18/06/381101806.db2.gz SZFYORZGAFZORT-ADKAHSJRSA-N 2 2 288.435 2.808 10 0 CFAELP COC1CC([NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000347365236 381101816 /nfs/dbraw/zinc/10/18/16/381101816.db2.gz SZFYORZGAFZORT-ADKAHSJRSA-N 2 2 288.435 2.808 10 0 CFAELP c1csc([C@@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)n1 ZINC000182743951 381149634 /nfs/dbraw/zinc/14/96/34/381149634.db2.gz WXNCAEJDPQWMIY-ZDUSSCGKSA-N 2 2 276.409 2.957 10 0 CFAELP c1csc([C@@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)n1 ZINC000182743951 381149640 /nfs/dbraw/zinc/14/96/40/381149640.db2.gz WXNCAEJDPQWMIY-ZDUSSCGKSA-N 2 2 276.409 2.957 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(CC)[nH+]c(C)n2)C1 ZINC000302062307 382205250 /nfs/dbraw/zinc/20/52/50/382205250.db2.gz UHHUGPKZGWVCHF-OAHLLOKOSA-N 2 2 299.422 2.948 10 0 CFAELP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000187820818 382277773 /nfs/dbraw/zinc/27/77/73/382277773.db2.gz JEDHUWNHVLQOAP-IAGOWNOFSA-N 2 2 294.414 2.713 10 0 CFAELP C[C@H]1[C@@H](Nc2ccc[nH+]c2N)CC[N@@H+]1Cc1ccccc1 ZINC000307347926 382466227 /nfs/dbraw/zinc/46/62/27/382466227.db2.gz XWHORVOPVDTUBJ-ZFWWWQNUSA-N 2 2 282.391 2.739 10 0 CFAELP C[C@H]1[C@@H](Nc2ccc[nH+]c2N)CC[N@H+]1Cc1ccccc1 ZINC000307347926 382466231 /nfs/dbraw/zinc/46/62/31/382466231.db2.gz XWHORVOPVDTUBJ-ZFWWWQNUSA-N 2 2 282.391 2.739 10 0 CFAELP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328626406 382555992 /nfs/dbraw/zinc/55/59/92/382555992.db2.gz FANRIMQWCURLHR-IWCQGFGOSA-N 2 2 273.424 2.853 10 0 CFAELP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328626406 382555993 /nfs/dbraw/zinc/55/59/93/382555993.db2.gz FANRIMQWCURLHR-IWCQGFGOSA-N 2 2 273.424 2.853 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000336905168 382740206 /nfs/dbraw/zinc/74/02/06/382740206.db2.gz WPAFIOXREDRDET-SRVKXCTJSA-N 2 2 264.335 2.791 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000336905168 382740208 /nfs/dbraw/zinc/74/02/08/382740208.db2.gz WPAFIOXREDRDET-SRVKXCTJSA-N 2 2 264.335 2.791 10 0 CFAELP C[C@H]1CCC[C@@](CNc2nc[nH+]c(N)c2Cl)([NH+](C)C)C1 ZINC000235643842 382884625 /nfs/dbraw/zinc/88/46/25/382884625.db2.gz WUIPUUIUDSWUCJ-IINYFYTJSA-N 2 2 297.834 2.635 10 0 CFAELP C[C@H]1CCC[N@@H+]([C@H](C[NH3+])c2ccc3c(c2)OCCCO3)C1 ZINC000247931486 383200154 /nfs/dbraw/zinc/20/01/54/383200154.db2.gz QRMZZAZUBRCGMS-DZGCQCFKSA-N 2 2 290.407 2.580 10 0 CFAELP C[C@H]1CCC[N@H+]([C@H](C[NH3+])c2ccc3c(c2)OCCCO3)C1 ZINC000247931486 383200156 /nfs/dbraw/zinc/20/01/56/383200156.db2.gz QRMZZAZUBRCGMS-DZGCQCFKSA-N 2 2 290.407 2.580 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC000249615229 383354239 /nfs/dbraw/zinc/35/42/39/383354239.db2.gz WZTQBOCMYMDUQZ-HIFRSBDPSA-N 2 2 262.397 2.830 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC000249615229 383354242 /nfs/dbraw/zinc/35/42/42/383354242.db2.gz WZTQBOCMYMDUQZ-HIFRSBDPSA-N 2 2 262.397 2.830 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC000249615230 383354336 /nfs/dbraw/zinc/35/43/36/383354336.db2.gz WZTQBOCMYMDUQZ-UKRRQHHQSA-N 2 2 262.397 2.830 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC000249615230 383354339 /nfs/dbraw/zinc/35/43/39/383354339.db2.gz WZTQBOCMYMDUQZ-UKRRQHHQSA-N 2 2 262.397 2.830 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2ccccc2OC)C1 ZINC000250249957 383373836 /nfs/dbraw/zinc/37/38/36/383373836.db2.gz IKFLXOLYDPUVEM-GDBMZVCRSA-N 2 2 276.424 2.700 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2ccccc2OC)C1 ZINC000250249957 383373839 /nfs/dbraw/zinc/37/38/39/383373839.db2.gz IKFLXOLYDPUVEM-GDBMZVCRSA-N 2 2 276.424 2.700 10 0 CFAELP CCO[C@@H]1C[C@@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)C1(C)C ZINC000250483470 383376246 /nfs/dbraw/zinc/37/62/46/383376246.db2.gz GJIMSPHVTJURRU-RBSFLKMASA-N 2 2 270.461 2.756 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(Cl)c3F)C[C@@H]12 ZINC000261553330 383510241 /nfs/dbraw/zinc/51/02/41/383510241.db2.gz ADVWOGHVUPRFNT-IRUJWGPZSA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@@H]12 ZINC000261553330 383510243 /nfs/dbraw/zinc/51/02/43/383510243.db2.gz ADVWOGHVUPRFNT-IRUJWGPZSA-N 2 2 268.763 2.648 10 0 CFAELP CC(C)(C)c1csc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000261583909 383520071 /nfs/dbraw/zinc/52/00/71/383520071.db2.gz HLSGCCJGRLGHJF-SRVKXCTJSA-N 2 2 279.453 2.610 10 0 CFAELP CC(C)(C)c1csc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000261583909 383520074 /nfs/dbraw/zinc/52/00/74/383520074.db2.gz HLSGCCJGRLGHJF-SRVKXCTJSA-N 2 2 279.453 2.610 10 0 CFAELP COc1ccc2cc(C[N@@H+]3C[C@H](C)[C@H]([NH3+])C3)ccc2c1 ZINC000261644419 383535077 /nfs/dbraw/zinc/53/50/77/383535077.db2.gz MVZYJJNMQSQWRD-YVEFUNNKSA-N 2 2 270.376 2.627 10 0 CFAELP COc1ccc2cc(C[N@H+]3C[C@H](C)[C@H]([NH3+])C3)ccc2c1 ZINC000261644419 383535080 /nfs/dbraw/zinc/53/50/80/383535080.db2.gz MVZYJJNMQSQWRD-YVEFUNNKSA-N 2 2 270.376 2.627 10 0 CFAELP Cc1nc2ccc(C[N@@H+]3CCC[C@@H]3C[NH3+])cc2s1 ZINC000261652291 383537061 /nfs/dbraw/zinc/53/70/61/383537061.db2.gz BCSNIJDGFLYMDB-GFCCVEGCSA-N 2 2 261.394 2.528 10 0 CFAELP Cc1nc2ccc(C[N@H+]3CCC[C@@H]3C[NH3+])cc2s1 ZINC000261652291 383537067 /nfs/dbraw/zinc/53/70/67/383537067.db2.gz BCSNIJDGFLYMDB-GFCCVEGCSA-N 2 2 261.394 2.528 10 0 CFAELP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@@H]1[NH3+] ZINC000262019117 383596027 /nfs/dbraw/zinc/59/60/27/383596027.db2.gz NAFLRRCKOUNYLH-YGRLFVJLSA-N 2 2 290.798 2.509 10 0 CFAELP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@@H]1[NH3+] ZINC000262019117 383596032 /nfs/dbraw/zinc/59/60/32/383596032.db2.gz NAFLRRCKOUNYLH-YGRLFVJLSA-N 2 2 290.798 2.509 10 0 CFAELP [NH3+]Cc1nc(C[N@@H+]2CCCCC[C@H]2c2ccccc2)no1 ZINC000262316609 383616329 /nfs/dbraw/zinc/61/63/29/383616329.db2.gz ZSPZGTCTRBDLEN-AWEZNQCLSA-N 2 2 286.379 2.646 10 0 CFAELP [NH3+]Cc1nc(C[N@H+]2CCCCC[C@H]2c2ccccc2)no1 ZINC000262316609 383616332 /nfs/dbraw/zinc/61/63/32/383616332.db2.gz ZSPZGTCTRBDLEN-AWEZNQCLSA-N 2 2 286.379 2.646 10 0 CFAELP CC(C)=CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000191980155 130343733 /nfs/dbraw/zinc/34/37/33/130343733.db2.gz VWOIJFQNCDAQNC-KRWDZBQOSA-N 2 2 273.424 2.802 10 0 CFAELP CC(C)=CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000191980155 130343735 /nfs/dbraw/zinc/34/37/35/130343735.db2.gz VWOIJFQNCDAQNC-KRWDZBQOSA-N 2 2 273.424 2.802 10 0 CFAELP CC(C)=CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000191980155 130343737 /nfs/dbraw/zinc/34/37/37/130343737.db2.gz VWOIJFQNCDAQNC-KRWDZBQOSA-N 2 2 273.424 2.802 10 0 CFAELP CC(C)=CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000191980155 130343740 /nfs/dbraw/zinc/34/37/40/130343740.db2.gz VWOIJFQNCDAQNC-KRWDZBQOSA-N 2 2 273.424 2.802 10 0 CFAELP C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000249351415 131121148 /nfs/dbraw/zinc/12/11/48/131121148.db2.gz WTDSEJSIOGHDPK-RRQGHBQHSA-N 2 2 285.391 2.826 10 0 CFAELP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000085133617 393750928 /nfs/dbraw/zinc/75/09/28/393750928.db2.gz ABQSKPJMVHRQHA-MNOVXSKESA-N 2 2 261.291 2.594 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)C12CCC2 ZINC000246209937 393853756 /nfs/dbraw/zinc/85/37/56/393853756.db2.gz KBZKYVIYAWTIBW-FXUDXRNXSA-N 2 2 280.456 2.652 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)C12CCC2 ZINC000246209937 393853759 /nfs/dbraw/zinc/85/37/59/393853759.db2.gz KBZKYVIYAWTIBW-FXUDXRNXSA-N 2 2 280.456 2.652 10 0 CFAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000358379667 394105931 /nfs/dbraw/zinc/10/59/31/394105931.db2.gz KPWWVJQOEXTVKA-VHDGCEQUSA-N 2 2 274.408 2.829 10 0 CFAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000358379667 394105934 /nfs/dbraw/zinc/10/59/34/394105934.db2.gz KPWWVJQOEXTVKA-VHDGCEQUSA-N 2 2 274.408 2.829 10 0 CFAELP CCCC[C@H](COC)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000134126372 394189634 /nfs/dbraw/zinc/18/96/34/394189634.db2.gz VOMBAEBIIUCPMX-ZNMIVQPWSA-N 2 2 256.434 2.510 10 0 CFAELP CCCC[C@H](COC)[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000134126372 394189636 /nfs/dbraw/zinc/18/96/36/394189636.db2.gz VOMBAEBIIUCPMX-ZNMIVQPWSA-N 2 2 256.434 2.510 10 0 CFAELP c1cn(C[C@@H]2CCC[N@@H+]2CC2=Cc3ccccc3OC2)c[nH+]1 ZINC000188398320 543062082 /nfs/dbraw/zinc/06/20/82/543062082.db2.gz YZJPIZKVFZLHJR-KRWDZBQOSA-N 2 2 295.386 2.824 10 0 CFAELP Fc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1F ZINC000188402367 543062140 /nfs/dbraw/zinc/06/21/40/543062140.db2.gz PCLVOVGZSSWGFV-ZDUSSCGKSA-N 2 2 277.318 2.826 10 0 CFAELP Fc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1F ZINC000188402367 543062143 /nfs/dbraw/zinc/06/21/43/543062143.db2.gz PCLVOVGZSSWGFV-ZDUSSCGKSA-N 2 2 277.318 2.826 10 0 CFAELP CCOc1ccc([C@@H](C[NH3+])[N@H+](C)CC(C)C)cc1 ZINC000020226250 171092299 /nfs/dbraw/zinc/09/22/99/171092299.db2.gz YDNXONPALGWZCR-OAHLLOKOSA-N 2 2 250.386 2.673 10 0 CFAELP CCOc1ccc([C@@H](C[NH3+])[N@@H+](C)CC(C)C)cc1 ZINC000020226250 171092302 /nfs/dbraw/zinc/09/23/02/171092302.db2.gz YDNXONPALGWZCR-OAHLLOKOSA-N 2 2 250.386 2.673 10 0 CFAELP Cc1cc(C)c([C@@H](C[NH3+])[NH+]2CCSCC2)c(C)c1 ZINC000020257020 171111397 /nfs/dbraw/zinc/11/13/97/171111397.db2.gz XYZYKJGBWSVVRP-CQSZACIVSA-N 2 2 264.438 2.660 10 0 CFAELP [NH3+]C[C@@H](c1cccc2ccccc21)[NH+]1CCSCC1 ZINC000020257091 171111632 /nfs/dbraw/zinc/11/16/32/171111632.db2.gz YMBZMNPMNOAMRN-INIZCTEOSA-N 2 2 272.417 2.888 10 0 CFAELP CC(C)c1cccc(OC[C@H](C[NH3+])[NH+]2CCCC2)c1 ZINC000020400562 171181643 /nfs/dbraw/zinc/18/16/43/171181643.db2.gz AXMRWSNMDQQDKT-HNNXBMFYSA-N 2 2 262.397 2.612 10 0 CFAELP CC(C)[N@H+](C)[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000022215202 171375365 /nfs/dbraw/zinc/37/53/65/171375365.db2.gz URSRRKWMFXZCME-LBPRGKRZSA-N 2 2 258.312 2.628 10 0 CFAELP CC(C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000022215202 171375366 /nfs/dbraw/zinc/37/53/66/171375366.db2.gz URSRRKWMFXZCME-LBPRGKRZSA-N 2 2 258.312 2.628 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[N@@H+]2CCCC[C@@H]2C)c1OC ZINC000022218475 171376670 /nfs/dbraw/zinc/37/66/70/171376670.db2.gz MFWAICBILDORQO-GXTWGEPZSA-N 2 2 278.396 2.578 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[N@H+]2CCCC[C@@H]2C)c1OC ZINC000022218475 171376671 /nfs/dbraw/zinc/37/66/71/171376671.db2.gz MFWAICBILDORQO-GXTWGEPZSA-N 2 2 278.396 2.578 10 0 CFAELP COc1cccc([C@H](C[NH3+])[N@@H+]2CCCC[C@@H]2C)c1OC ZINC000022218478 171376911 /nfs/dbraw/zinc/37/69/11/171376911.db2.gz MFWAICBILDORQO-JSGCOSHPSA-N 2 2 278.396 2.578 10 0 CFAELP COc1cccc([C@H](C[NH3+])[N@H+]2CCCC[C@@H]2C)c1OC ZINC000022218478 171376913 /nfs/dbraw/zinc/37/69/13/171376913.db2.gz MFWAICBILDORQO-JSGCOSHPSA-N 2 2 278.396 2.578 10 0 CFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(C)c(OC)c1 ZINC000035570196 172265216 /nfs/dbraw/zinc/26/52/16/172265216.db2.gz GUUJUZFOZPPRQH-ZDUSSCGKSA-N 2 2 259.353 2.620 10 0 CFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)Cc1c(F)cccc1Cl ZINC000035570131 172265558 /nfs/dbraw/zinc/26/55/58/172265558.db2.gz MUOUUNUXUXWMJE-JTQLQIEISA-N 2 2 281.762 2.966 10 0 CFAELP C[C@]([NH3+])(C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000035619399 172299563 /nfs/dbraw/zinc/29/95/63/172299563.db2.gz VYEDDZVAKXCQTH-SFHVURJKSA-N 2 2 266.388 2.919 10 0 CFAELP C[C@]([NH3+])(C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000035619399 172299565 /nfs/dbraw/zinc/29/95/65/172299565.db2.gz VYEDDZVAKXCQTH-SFHVURJKSA-N 2 2 266.388 2.919 10 0 CFAELP c1cn(CCC[NH2+][C@@H]2CSCc3ccccc32)c[nH+]1 ZINC000037249514 173061945 /nfs/dbraw/zinc/06/19/45/173061945.db2.gz LOYCVEREHNASSY-OAHLLOKOSA-N 2 2 273.405 2.851 10 0 CFAELP CC[N@H+](C)[C@@H](C[NH3+])c1c(OC)ccc2ccccc21 ZINC000037290094 173095229 /nfs/dbraw/zinc/09/52/29/173095229.db2.gz BNUGDZIFEXPNQU-AWEZNQCLSA-N 2 2 258.365 2.800 10 0 CFAELP CC[N@@H+](C)[C@@H](C[NH3+])c1c(OC)ccc2ccccc21 ZINC000037290094 173095231 /nfs/dbraw/zinc/09/52/31/173095231.db2.gz BNUGDZIFEXPNQU-AWEZNQCLSA-N 2 2 258.365 2.800 10 0 CFAELP C[NH2+]CCCc1[nH]cc(-c2ccc(Cl)s2)[nH+]1 ZINC000037477993 173228971 /nfs/dbraw/zinc/22/89/71/173228971.db2.gz RCPRNWGCXKLJGK-UHFFFAOYSA-N 2 2 255.774 2.944 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655708562 414381526 /nfs/dbraw/zinc/38/15/26/414381526.db2.gz KQPKOJRAFUQSEP-BFHYXJOUSA-N 2 2 258.475 2.836 10 0 CFAELP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@H](C)[NH+]2CCCCC2)CC1 ZINC000038028854 174018479 /nfs/dbraw/zinc/01/84/79/174018479.db2.gz BFGMMWABBGFTKK-JKSUJKDBSA-N 3 2 281.488 2.571 10 0 CFAELP Cc1cc(-c2c[nH]c(CC3CC[NH2+]CC3)[nH+]2)c(C)o1 ZINC000038076168 174086303 /nfs/dbraw/zinc/08/63/03/174086303.db2.gz QFFRHYALJGKWSF-UHFFFAOYSA-N 2 2 259.353 2.829 10 0 CFAELP CC(C)Oc1ccc([C@@H](C)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000038086794 174097740 /nfs/dbraw/zinc/09/77/40/174097740.db2.gz VSYGELFNZIEHTJ-CQSZACIVSA-N 2 2 262.397 2.830 10 0 CFAELP CC(C)Oc1ccc([C@@H](C)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000038086794 174097741 /nfs/dbraw/zinc/09/77/41/174097741.db2.gz VSYGELFNZIEHTJ-CQSZACIVSA-N 2 2 262.397 2.830 10 0 CFAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccccc1OC ZINC000038785087 174155596 /nfs/dbraw/zinc/15/55/96/174155596.db2.gz ICECDAFFCGOHJG-CQSZACIVSA-N 2 2 250.386 2.817 10 0 CFAELP CC[NH+](CC)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000038827631 174157120 /nfs/dbraw/zinc/15/71/20/174157120.db2.gz YBDLXDJNDOVBOM-GFCCVEGCSA-N 2 2 271.202 2.791 10 0 CFAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000038860028 174158182 /nfs/dbraw/zinc/15/81/82/174158182.db2.gz IICFCWNGBOTEAV-OAHLLOKOSA-N 2 2 250.386 2.817 10 0 CFAELP c1csc(C[NH2+]C[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000040397612 174253476 /nfs/dbraw/zinc/25/34/76/174253476.db2.gz HUAFREPBJRNGOP-AWEZNQCLSA-N 2 2 258.390 2.552 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CCc2ccc(O)cc2)C1 ZINC000040502272 174299380 /nfs/dbraw/zinc/29/93/80/174299380.db2.gz YWUWGFWBJPTCLG-GOEBONIOSA-N 2 2 276.424 2.787 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CCc2ccc(O)cc2)C1 ZINC000040502272 174299381 /nfs/dbraw/zinc/29/93/81/174299381.db2.gz YWUWGFWBJPTCLG-GOEBONIOSA-N 2 2 276.424 2.787 10 0 CFAELP Cc1cc(C)c(C[NH2+]CCc2[nH+]ccn2C)cc1C ZINC000040639217 174364006 /nfs/dbraw/zinc/36/40/06/174364006.db2.gz AENULEMXBMBMDU-UHFFFAOYSA-N 2 2 257.381 2.678 10 0 CFAELP CCOC1CC[NH+]([C@@]2(C[NH3+])CCCc3ccccc32)CC1 ZINC000040678747 174374864 /nfs/dbraw/zinc/37/48/64/174374864.db2.gz GSOOFLAAWKKSIC-GOSISDBHSA-N 2 2 288.435 2.678 10 0 CFAELP CC(C)CCNc1[nH+]cnc(Nc2cc[nH+]cc2)c1N ZINC000040687655 174375907 /nfs/dbraw/zinc/37/59/07/174375907.db2.gz OHGUQXOHRCIVSW-UHFFFAOYSA-N 2 2 272.356 2.655 10 0 CFAELP C[C@H](c1c(F)cccc1F)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749311 174393594 /nfs/dbraw/zinc/39/35/94/174393594.db2.gz HYOBPTDQUVUBNP-WAAKLRNESA-N 2 2 266.335 2.980 10 0 CFAELP C[C@H](c1c(F)cccc1F)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749311 174393595 /nfs/dbraw/zinc/39/35/95/174393595.db2.gz HYOBPTDQUVUBNP-WAAKLRNESA-N 2 2 266.335 2.980 10 0 CFAELP CC(C)[NH2+]C1(c2nc(C(C)C)cs2)CC[NH2+]CC1 ZINC000041197331 174509522 /nfs/dbraw/zinc/50/95/22/174509522.db2.gz GLVPXUMAYHIIMI-UHFFFAOYSA-N 2 2 267.442 2.843 10 0 CFAELP CC[N@@H+]([C@@H](C[NH3+])c1cccc(C)c1C)[C@@H](C)COC ZINC000043315052 175004612 /nfs/dbraw/zinc/00/46/12/175004612.db2.gz VLPSZFQXXQNKGH-BBRMVZONSA-N 2 2 264.413 2.660 10 0 CFAELP CC[N@H+]([C@@H](C[NH3+])c1cccc(C)c1C)[C@@H](C)COC ZINC000043315052 175004613 /nfs/dbraw/zinc/00/46/13/175004613.db2.gz VLPSZFQXXQNKGH-BBRMVZONSA-N 2 2 264.413 2.660 10 0 CFAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)CCc2ccccn2)c1C ZINC000043314518 175004904 /nfs/dbraw/zinc/00/49/04/175004904.db2.gz MQULFPVQEQCLTF-SFHVURJKSA-N 2 2 283.419 2.873 10 0 CFAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)CCc2ccccn2)c1C ZINC000043314518 175004906 /nfs/dbraw/zinc/00/49/06/175004906.db2.gz MQULFPVQEQCLTF-SFHVURJKSA-N 2 2 283.419 2.873 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+](CC(C)C)C1CC1 ZINC000043340926 175015452 /nfs/dbraw/zinc/01/54/52/175015452.db2.gz ZMPKDWAPGFXUNC-GDBMZVCRSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+](CC(C)C)C1CC1 ZINC000043340926 175015454 /nfs/dbraw/zinc/01/54/54/175015454.db2.gz ZMPKDWAPGFXUNC-GDBMZVCRSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+](CC1CC1)C(C)C ZINC000043340964 175015541 /nfs/dbraw/zinc/01/55/41/175015541.db2.gz VUCKBZIXOPIQLX-ZBFHGGJFSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](CC1CC1)C(C)C ZINC000043340964 175015542 /nfs/dbraw/zinc/01/55/42/175015542.db2.gz VUCKBZIXOPIQLX-ZBFHGGJFSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+](CC(C)C)C1CC1 ZINC000043348384 175018581 /nfs/dbraw/zinc/01/85/81/175018581.db2.gz UXLVTCDPYXHEIK-JKSUJKDBSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](CC(C)C)C1CC1 ZINC000043348384 175018583 /nfs/dbraw/zinc/01/85/83/175018583.db2.gz UXLVTCDPYXHEIK-JKSUJKDBSA-N 2 2 261.413 2.980 10 0 CFAELP CC[N@H+](Cc1ccccc1)[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043353233 175020182 /nfs/dbraw/zinc/02/01/82/175020182.db2.gz MCJLWCVOALXJDY-RHSMWYFYSA-N 2 2 269.392 2.992 10 0 CFAELP CC[N@@H+](Cc1ccccc1)[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043353233 175020184 /nfs/dbraw/zinc/02/01/84/175020184.db2.gz MCJLWCVOALXJDY-RHSMWYFYSA-N 2 2 269.392 2.992 10 0 CFAELP CC[N@H+](Cc1ccccc1)[C@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043353234 175020304 /nfs/dbraw/zinc/02/03/04/175020304.db2.gz MCJLWCVOALXJDY-PBHICJAKSA-N 2 2 269.392 2.992 10 0 CFAELP CC[N@@H+](Cc1ccccc1)[C@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043353234 175020306 /nfs/dbraw/zinc/02/03/06/175020306.db2.gz MCJLWCVOALXJDY-PBHICJAKSA-N 2 2 269.392 2.992 10 0 CFAELP COCC[N@H+](CC(C)C)[C@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043364967 175025792 /nfs/dbraw/zinc/02/57/92/175025792.db2.gz FDCLFQVYQDBYDI-HIFRSBDPSA-N 2 2 268.401 2.581 10 0 CFAELP COCC[N@@H+](CC(C)C)[C@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043364967 175025794 /nfs/dbraw/zinc/02/57/94/175025794.db2.gz FDCLFQVYQDBYDI-HIFRSBDPSA-N 2 2 268.401 2.581 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](C)CCc1ccncc1 ZINC000043364527 175025951 /nfs/dbraw/zinc/02/59/51/175025951.db2.gz HXQMAXDFZQDJJO-NVXWUHKLSA-N 2 2 287.407 2.936 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](C)CCc1ccncc1 ZINC000043364527 175025952 /nfs/dbraw/zinc/02/59/52/175025952.db2.gz HXQMAXDFZQDJJO-NVXWUHKLSA-N 2 2 287.407 2.936 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](CC)[C@@H](C)COC ZINC000043365368 175026465 /nfs/dbraw/zinc/02/64/65/175026465.db2.gz DSDKODXPVCVMEB-CORIIIEPSA-N 2 2 268.401 2.723 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](CC)[C@@H](C)COC ZINC000043365368 175026466 /nfs/dbraw/zinc/02/64/66/175026466.db2.gz DSDKODXPVCVMEB-CORIIIEPSA-N 2 2 268.401 2.723 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043389964 175033581 /nfs/dbraw/zinc/03/35/81/175033581.db2.gz NMWYKGUSTCOSDM-UHFFFAOYSA-N 2 2 267.735 2.545 10 0 CFAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(F)c(C(F)(F)F)c1 ZINC000043566486 175067083 /nfs/dbraw/zinc/06/70/83/175067083.db2.gz GFWHKEPYFQUDKU-JTQLQIEISA-N 2 2 273.233 2.810 10 0 CFAELP CC[NH2+][C@H](C[NH+]1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000043807427 175108711 /nfs/dbraw/zinc/10/87/11/175108711.db2.gz UIFFOWMBFIORHM-OAHLLOKOSA-N 2 2 290.407 2.594 10 0 CFAELP CCC[NH2+][C@@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000043807650 175109166 /nfs/dbraw/zinc/10/91/66/175109166.db2.gz MUPCZJNTZRAGCA-INIZCTEOSA-N 2 2 262.397 2.832 10 0 CFAELP C[NH2+][C@@H]1c2ccccc2CC[C@H]1[N@H+](C)Cc1ccncc1 ZINC000043893973 175119357 /nfs/dbraw/zinc/11/93/57/175119357.db2.gz CUNCCSHIGNJNPS-QZTJIDSGSA-N 2 2 281.403 2.789 10 0 CFAELP C[NH2+][C@@H]1c2ccccc2CC[C@H]1[N@@H+](C)Cc1ccncc1 ZINC000043893973 175119358 /nfs/dbraw/zinc/11/93/58/175119358.db2.gz CUNCCSHIGNJNPS-QZTJIDSGSA-N 2 2 281.403 2.789 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898593 175121401 /nfs/dbraw/zinc/12/14/01/175121401.db2.gz IJZAZFDNZKSJLE-IMJJTQAJSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898593 175121402 /nfs/dbraw/zinc/12/14/02/175121402.db2.gz IJZAZFDNZKSJLE-IMJJTQAJSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@H+](C)C1CCOCC1 ZINC000043898451 175121586 /nfs/dbraw/zinc/12/15/86/175121586.db2.gz PRYLDNRIBPVWEE-LSDHHAIUSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@@H+](C)C1CCOCC1 ZINC000043898451 175121587 /nfs/dbraw/zinc/12/15/87/175121587.db2.gz PRYLDNRIBPVWEE-LSDHHAIUSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@H]1c2ccccc2OC[C@H]1[N@@H+]1CCC[C@@H]1C ZINC000043903880 175122415 /nfs/dbraw/zinc/12/24/15/175122415.db2.gz WBFPHMISZLJFRX-LXZKKBNFSA-N 2 2 274.408 2.973 10 0 CFAELP CCC[NH2+][C@H]1c2ccccc2OC[C@H]1[N@H+]1CCC[C@@H]1C ZINC000043903880 175122416 /nfs/dbraw/zinc/12/24/16/175122416.db2.gz WBFPHMISZLJFRX-LXZKKBNFSA-N 2 2 274.408 2.973 10 0 CFAELP C[NH2+][C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911528 175123837 /nfs/dbraw/zinc/12/38/37/175123837.db2.gz IDKWKSCKYNMYCG-JKSUJKDBSA-N 2 2 262.397 2.658 10 0 CFAELP C[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911528 175123838 /nfs/dbraw/zinc/12/38/38/175123838.db2.gz IDKWKSCKYNMYCG-JKSUJKDBSA-N 2 2 262.397 2.658 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1[N@H+](C)CCOC ZINC000043916277 175125038 /nfs/dbraw/zinc/12/50/38/175125038.db2.gz UQDPOPUZBQNFPM-KFWWJZLASA-N 2 2 256.434 2.512 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1[N@@H+](C)CCOC ZINC000043916277 175125039 /nfs/dbraw/zinc/12/50/39/175125039.db2.gz UQDPOPUZBQNFPM-KFWWJZLASA-N 2 2 256.434 2.512 10 0 CFAELP CC[NH2+][C@@H](c1ccc(CC)cc1)[C@H](C)[N@H+](C)CCOC ZINC000043916126 175125168 /nfs/dbraw/zinc/12/51/68/175125168.db2.gz FCGSQVNQQGWMJF-WMLDXEAASA-N 2 2 278.440 2.866 10 0 CFAELP CC[NH2+][C@@H](c1ccc(CC)cc1)[C@H](C)[N@@H+](C)CCOC ZINC000043916126 175125169 /nfs/dbraw/zinc/12/51/69/175125169.db2.gz FCGSQVNQQGWMJF-WMLDXEAASA-N 2 2 278.440 2.866 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+]1CCOCC1(C)C ZINC000043965327 175126490 /nfs/dbraw/zinc/12/64/90/175126490.db2.gz TVRIXRKWQZAGKY-KFWWJZLASA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+]1CCOCC1(C)C ZINC000043965327 175126492 /nfs/dbraw/zinc/12/64/92/175126492.db2.gz TVRIXRKWQZAGKY-KFWWJZLASA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+]1CCOCC1(C)C ZINC000043965335 175126530 /nfs/dbraw/zinc/12/65/30/175126530.db2.gz IHEXCEKABZFMNY-CABCVRRESA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+]1CCOCC1(C)C ZINC000043965335 175126532 /nfs/dbraw/zinc/12/65/32/175126532.db2.gz IHEXCEKABZFMNY-CABCVRRESA-N 2 2 268.445 2.798 10 0 CFAELP CCc1ccc([C@H]([NH2+]C)[C@@H](C)[N@H+](C)[C@@H](C)COC)cc1 ZINC000043969141 175130825 /nfs/dbraw/zinc/13/08/25/175130825.db2.gz GOLINOUWNYWZRT-JJRVBVJISA-N 2 2 278.440 2.865 10 0 CFAELP CCc1ccc([C@H]([NH2+]C)[C@@H](C)[N@@H+](C)[C@@H](C)COC)cc1 ZINC000043969141 175130826 /nfs/dbraw/zinc/13/08/26/175130826.db2.gz GOLINOUWNYWZRT-JJRVBVJISA-N 2 2 278.440 2.865 10 0 CFAELP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043970090 175131044 /nfs/dbraw/zinc/13/10/44/175131044.db2.gz SDKBGGSLWRLXHJ-KBMXLJTQSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043970090 175131046 /nfs/dbraw/zinc/13/10/46/175131046.db2.gz SDKBGGSLWRLXHJ-KBMXLJTQSA-N 2 2 268.445 2.654 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2CC[C@H]1[N@H+](CCOC)C1CC1 ZINC000043970032 175131466 /nfs/dbraw/zinc/13/14/66/175131466.db2.gz DSDOIEXRHRSPKJ-QZTJIDSGSA-N 2 2 288.435 2.763 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2CC[C@H]1[N@@H+](CCOC)C1CC1 ZINC000043970032 175131468 /nfs/dbraw/zinc/13/14/68/175131468.db2.gz DSDOIEXRHRSPKJ-QZTJIDSGSA-N 2 2 288.435 2.763 10 0 CFAELP CC[NH2+][C@@H](C[N@H+](CC)[C@@H](C)COC)c1ccccc1 ZINC000043981259 175133915 /nfs/dbraw/zinc/13/39/15/175133915.db2.gz AWWWYPXXRUCQGQ-HOCLYGCPSA-N 2 2 264.413 2.694 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+](CC)[C@@H](C)COC)c1ccccc1 ZINC000043981259 175133916 /nfs/dbraw/zinc/13/39/16/175133916.db2.gz AWWWYPXXRUCQGQ-HOCLYGCPSA-N 2 2 264.413 2.694 10 0 CFAELP CC[N@H+](C[C@@H]([NH2+]C)c1ccc(C)cc1)[C@@H](C)COC ZINC000043980854 175134000 /nfs/dbraw/zinc/13/40/00/175134000.db2.gz RIFFQWPWDFTABE-GOEBONIOSA-N 2 2 264.413 2.612 10 0 CFAELP CC[N@@H+](C[C@@H]([NH2+]C)c1ccc(C)cc1)[C@@H](C)COC ZINC000043980854 175134002 /nfs/dbraw/zinc/13/40/02/175134002.db2.gz RIFFQWPWDFTABE-GOEBONIOSA-N 2 2 264.413 2.612 10 0 CFAELP CC[NH2+][C@@H](Cn1cc[nH+]c1)c1cc(C)ccc1OC ZINC000043992465 175135677 /nfs/dbraw/zinc/13/56/77/175135677.db2.gz PBQHZOVTTHTEOJ-AWEZNQCLSA-N 2 2 259.353 2.551 10 0 CFAELP CCC[NH2+][C@H]1c2ccccc2OC[C@H]1n1cc[nH+]c1 ZINC000043992362 175135863 /nfs/dbraw/zinc/13/58/63/175135863.db2.gz GRGNSNITPJEFTO-HIFRSBDPSA-N 2 2 257.337 2.558 10 0 CFAELP CC[NH2+][C@H](C)c1ccc(OC)c(Cn2cc[nH+]c2)c1 ZINC000043992562 175135889 /nfs/dbraw/zinc/13/58/89/175135889.db2.gz UEKGZRXNICZAKZ-GFCCVEGCSA-N 2 2 259.353 2.611 10 0 CFAELP C[NH2+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000043993197 175136587 /nfs/dbraw/zinc/13/65/87/175136587.db2.gz JAFWVAPNOPSIHE-PMPSAXMXSA-N 2 2 255.365 2.980 10 0 CFAELP CC[NH2+][C@@H](C)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000044471845 175177954 /nfs/dbraw/zinc/17/79/54/175177954.db2.gz YYKHRJFBCFEOTH-HNNXBMFYSA-N 2 2 260.425 2.939 10 0 CFAELP CC[NH2+][C@H](C)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000044471848 175178140 /nfs/dbraw/zinc/17/81/40/175178140.db2.gz YYKHRJFBCFEOTH-OAHLLOKOSA-N 2 2 260.425 2.939 10 0 CFAELP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C)c1ccc(O)cc1 ZINC000044561762 175205132 /nfs/dbraw/zinc/20/51/32/175205132.db2.gz JPRZKGLUPJAQKV-GDBMZVCRSA-N 2 2 262.397 2.917 10 0 CFAELP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C)c1ccc(O)cc1 ZINC000044561762 175205134 /nfs/dbraw/zinc/20/51/34/175205134.db2.gz JPRZKGLUPJAQKV-GDBMZVCRSA-N 2 2 262.397 2.917 10 0 CFAELP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000044561435 175205269 /nfs/dbraw/zinc/20/52/69/175205269.db2.gz ZOZOTMUIXAIFCE-KBPBESRZSA-N 2 2 250.386 2.675 10 0 CFAELP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000044561435 175205270 /nfs/dbraw/zinc/20/52/70/175205270.db2.gz ZOZOTMUIXAIFCE-KBPBESRZSA-N 2 2 250.386 2.675 10 0 CFAELP Cc1nc(C[N@H+](C)CC[C@H]([NH3+])c2ccccc2)cs1 ZINC000044609957 175216489 /nfs/dbraw/zinc/21/64/89/175216489.db2.gz ZAQYKBYPDLJVAP-HNNXBMFYSA-N 2 2 275.421 2.973 10 0 CFAELP Cc1nc(C[N@@H+](C)CC[C@H]([NH3+])c2ccccc2)cs1 ZINC000044609957 175216491 /nfs/dbraw/zinc/21/64/91/175216491.db2.gz ZAQYKBYPDLJVAP-HNNXBMFYSA-N 2 2 275.421 2.973 10 0 CFAELP c1ccc([C@@H]2C[NH+]=C(N[C@@H]3CC[N@@H+](C4CC4)C3)S2)cc1 ZINC000044726605 175238670 /nfs/dbraw/zinc/23/86/70/175238670.db2.gz STXKYCXZMBDYOX-HIFRSBDPSA-N 2 2 287.432 2.657 10 0 CFAELP c1ccc([C@@H]2C[NH+]=C(N[C@@H]3CC[N@H+](C4CC4)C3)S2)cc1 ZINC000044726605 175238671 /nfs/dbraw/zinc/23/86/71/175238671.db2.gz STXKYCXZMBDYOX-HIFRSBDPSA-N 2 2 287.432 2.657 10 0 CFAELP CC[NH2+][C@@H]1CCCc2cc(OCCn3cc[nH+]c3)ccc21 ZINC000044745457 175242029 /nfs/dbraw/zinc/24/20/29/175242029.db2.gz SNLJIFXNBKTAHN-QGZVFWFLSA-N 2 2 285.391 2.949 10 0 CFAELP Oc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044747619 175242944 /nfs/dbraw/zinc/24/29/44/175242944.db2.gz OZPGNAHKCKPUPD-SUMWQHHRSA-N 2 2 272.392 2.596 10 0 CFAELP Oc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044747619 175242945 /nfs/dbraw/zinc/24/29/45/175242945.db2.gz OZPGNAHKCKPUPD-SUMWQHHRSA-N 2 2 272.392 2.596 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@@H+]1CCC[C@@H]1C)[NH2+]C(C)C ZINC000045367827 175362894 /nfs/dbraw/zinc/36/28/94/175362894.db2.gz LXNKCZMEISDMGG-RDJZCZTQSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@H+]1CCC[C@@H]1C)[NH2+]C(C)C ZINC000045367827 175362895 /nfs/dbraw/zinc/36/28/95/175362895.db2.gz LXNKCZMEISDMGG-RDJZCZTQSA-N 2 2 298.471 2.961 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045367397 175363012 /nfs/dbraw/zinc/36/30/12/175363012.db2.gz XZMKONDWKSRLMM-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045367397 175363013 /nfs/dbraw/zinc/36/30/13/175363013.db2.gz XZMKONDWKSRLMM-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367808 175363195 /nfs/dbraw/zinc/36/31/95/175363195.db2.gz SJHTXDCXZSKVLM-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@@](C)(CCCC[N@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367808 175363197 /nfs/dbraw/zinc/36/31/97/175363197.db2.gz SJHTXDCXZSKVLM-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(=O)OC ZINC000045367802 175363401 /nfs/dbraw/zinc/36/34/01/175363401.db2.gz QOLXEUSOWWXEGI-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[NH2+][C@@](C)(CCCC[N@H+]1CCC[C@@H]1C)C(=O)OC ZINC000045367802 175363402 /nfs/dbraw/zinc/36/34/02/175363402.db2.gz QOLXEUSOWWXEGI-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](CC)c1ccccc1C ZINC000045369925 175363824 /nfs/dbraw/zinc/36/38/24/175363824.db2.gz KEZWGBUDYKIWRG-KRWDZBQOSA-N 2 2 292.423 2.882 10 0 CFAELP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+](CC)c1ccccc1C ZINC000045369925 175363825 /nfs/dbraw/zinc/36/38/25/175363825.db2.gz KEZWGBUDYKIWRG-KRWDZBQOSA-N 2 2 292.423 2.882 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)[NH2+]C ZINC000045376073 175366634 /nfs/dbraw/zinc/36/66/34/175366634.db2.gz CHRJACGALMLPKM-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[N@H+]1CCCC[C@@H]1C)[NH2+]C ZINC000045376073 175366635 /nfs/dbraw/zinc/36/66/35/175366635.db2.gz CHRJACGALMLPKM-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045376158 175366669 /nfs/dbraw/zinc/36/66/69/175366669.db2.gz AKAQOIJWBZFZEL-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[N@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045376158 175366670 /nfs/dbraw/zinc/36/66/70/175366670.db2.gz AKAQOIJWBZFZEL-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376157 175366680 /nfs/dbraw/zinc/36/66/80/175366680.db2.gz DPRPOFQNCUTZPM-GOEBONIOSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[NH2+][C@](C)(CCC[N@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376157 175366681 /nfs/dbraw/zinc/36/66/81/175366681.db2.gz DPRPOFQNCUTZPM-GOEBONIOSA-N 2 2 284.444 2.572 10 0 CFAELP COC(=O)[C@](C)(CCCC[NH+]1CCCCCC1)[NH2+]C(C)C ZINC000045377470 175366855 /nfs/dbraw/zinc/36/68/55/175366855.db2.gz JOLCLBWLNRUGLC-KRWDZBQOSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@](C)(CCCC[NH+]1CCCCCC1)C(=O)OC ZINC000045377465 175366965 /nfs/dbraw/zinc/36/69/65/175366965.db2.gz BNYLTDGLVPCSLF-QGZVFWFLSA-N 2 2 298.471 2.964 10 0 CFAELP CC[NH2+][C@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379718 175368907 /nfs/dbraw/zinc/36/89/07/175368907.db2.gz LAXVJLZBYCIKTQ-OFQRWUPVSA-N 2 2 284.444 2.571 10 0 CFAELP CCC[N@H+](CC)CCCC[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000045386969 175373190 /nfs/dbraw/zinc/37/31/90/175373190.db2.gz NUAWNJWMICXEHV-INIZCTEOSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[N@@H+](CC)CCCC[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000045386969 175373191 /nfs/dbraw/zinc/37/31/91/175373191.db2.gz NUAWNJWMICXEHV-INIZCTEOSA-N 2 2 284.444 2.572 10 0 CFAELP CCCOc1ccccc1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000045946356 175388100 /nfs/dbraw/zinc/38/81/00/175388100.db2.gz UYVGYMJEPIFMNT-UHFFFAOYSA-N 2 2 259.353 2.531 10 0 CFAELP CCCOc1ccccc1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000045946356 175388101 /nfs/dbraw/zinc/38/81/01/175388101.db2.gz UYVGYMJEPIFMNT-UHFFFAOYSA-N 2 2 259.353 2.531 10 0 CFAELP CCC[N@H+]([C@@H](C)c1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000071314518 176120965 /nfs/dbraw/zinc/12/09/65/176120965.db2.gz OSNPRNXSSSCNJB-SWLSCSKDSA-N 2 2 250.361 2.961 10 0 CFAELP CCC[N@@H+]([C@@H](C)c1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000071314518 176120966 /nfs/dbraw/zinc/12/09/66/176120966.db2.gz OSNPRNXSSSCNJB-SWLSCSKDSA-N 2 2 250.361 2.961 10 0 CFAELP CCc1ccc(OC)c([C@@H](C[NH3+])[N@H+](C)C(C)C)c1 ZINC000077432341 177268268 /nfs/dbraw/zinc/26/82/68/177268268.db2.gz HLWVASMBYYOGAO-CQSZACIVSA-N 2 2 250.386 2.598 10 0 CFAELP CCc1ccc(OC)c([C@@H](C[NH3+])[N@@H+](C)C(C)C)c1 ZINC000077432341 177268271 /nfs/dbraw/zinc/26/82/71/177268271.db2.gz HLWVASMBYYOGAO-CQSZACIVSA-N 2 2 250.386 2.598 10 0 CFAELP C[C@@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C[C@H]1C[NH3+] ZINC000253196189 274304465 /nfs/dbraw/zinc/30/44/65/274304465.db2.gz SMZRBTXSHSPYHB-NXEZZACHSA-N 2 2 273.302 2.522 10 0 CFAELP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000191812266 279094636 /nfs/dbraw/zinc/09/46/36/279094636.db2.gz JIVIQWHPVFKKJJ-OAHLLOKOSA-N 2 2 264.417 2.669 10 0 CFAELP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000191812266 279094637 /nfs/dbraw/zinc/09/46/37/279094637.db2.gz JIVIQWHPVFKKJJ-OAHLLOKOSA-N 2 2 264.417 2.669 10 0 CFAELP CC[N@@H+]1CCC[C@@H]1CN(C)c1cc[nH+]cc1Cl ZINC000176946732 279302267 /nfs/dbraw/zinc/30/22/67/279302267.db2.gz KEURYZWIIUJRRJ-LLVKDONJSA-N 2 2 253.777 2.656 10 0 CFAELP CC[N@H+]1CCC[C@@H]1CN(C)c1cc[nH+]cc1Cl ZINC000176946732 279302268 /nfs/dbraw/zinc/30/22/68/279302268.db2.gz KEURYZWIIUJRRJ-LLVKDONJSA-N 2 2 253.777 2.656 10 0 CFAELP CCc1cc(N2CCC[C@H]2Cn2cc[nH+]c2C)nc(C)[nH+]1 ZINC000272950274 281122411 /nfs/dbraw/zinc/12/24/11/281122411.db2.gz YOJKSNHHHAHFCJ-HNNXBMFYSA-N 2 2 285.395 2.521 10 0 CFAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccc(F)cc1F ZINC000396692430 281196965 /nfs/dbraw/zinc/19/69/65/281196965.db2.gz ZLKPNJUUXJQVBP-PKFCDNJMSA-N 2 2 254.324 2.756 10 0 CFAELP CC[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccc(OC)cc1 ZINC000396702732 281197294 /nfs/dbraw/zinc/19/72/94/281197294.db2.gz UVPINNXGGRJFHT-RCBQFDQVSA-N 2 2 262.397 2.876 10 0 CFAELP COc1cccc(Cl)c1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000560967007 282044612 /nfs/dbraw/zinc/04/46/12/282044612.db2.gz VQSKXGMMAYSECQ-NEPJUHHUSA-N 2 2 282.815 2.826 10 0 CFAELP C[NH+](C)[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000085629947 289288284 /nfs/dbraw/zinc/28/82/84/289288284.db2.gz UDRQJNMITPOYCH-NXOAAHMSSA-N 2 2 288.435 2.692 10 0 CFAELP CC[C@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)[C@H]1CCOC1 ZINC000336829673 322451781 /nfs/dbraw/zinc/45/17/81/322451781.db2.gz INPSIMWYUCRZHN-YESZJQIVSA-N 2 2 276.424 2.694 10 0 CFAELP CC(C)C[NH2+]CCC[N@H+](Cc1ccco1)C1CC1 ZINC000052370838 519743783 /nfs/dbraw/zinc/74/37/83/519743783.db2.gz VBASQFOJFPFMBW-UHFFFAOYSA-N 2 2 250.386 2.880 10 0 CFAELP CC(C)C[NH2+]CCC[N@@H+](Cc1ccco1)C1CC1 ZINC000052370838 519743785 /nfs/dbraw/zinc/74/37/85/519743785.db2.gz VBASQFOJFPFMBW-UHFFFAOYSA-N 2 2 250.386 2.880 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000049195578 519814691 /nfs/dbraw/zinc/81/46/91/519814691.db2.gz TWGJDGOKERVTBC-WFASDCNBSA-N 2 2 250.386 2.629 10 0 CFAELP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)C1 ZINC000049197551 519853712 /nfs/dbraw/zinc/85/37/12/519853712.db2.gz MLKPILNWUXIUJS-IKGGRYGDSA-N 3 2 283.504 2.673 10 0 CFAELP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)C1 ZINC000049197551 519853713 /nfs/dbraw/zinc/85/37/13/519853713.db2.gz MLKPILNWUXIUJS-IKGGRYGDSA-N 3 2 283.504 2.673 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@@H](C[NH3+])c1cccc(OC)c1OC ZINC000069429918 521309204 /nfs/dbraw/zinc/30/92/04/521309204.db2.gz GKEKFFXKUVGHEV-ZDUSSCGKSA-N 2 2 280.412 2.824 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@@H](C[NH3+])c1cccc(OC)c1OC ZINC000069429918 521309209 /nfs/dbraw/zinc/30/92/09/521309209.db2.gz GKEKFFXKUVGHEV-ZDUSSCGKSA-N 2 2 280.412 2.824 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[NH+]1CCC(C)(C)CC1 ZINC000061818551 522338669 /nfs/dbraw/zinc/33/86/69/522338669.db2.gz VLAOZZPVKYSXNA-LSDHHAIUSA-N 2 2 261.413 2.982 10 0 CFAELP C[N@H+](C1CCOCC1)[C@]1(C[NH3+])CCC[C@H](C(F)(F)F)C1 ZINC000069383461 522414067 /nfs/dbraw/zinc/41/40/67/522414067.db2.gz UPENCRYPLXLNMH-WCQYABFASA-N 2 2 294.361 2.547 10 0 CFAELP C[N@@H+](C1CCOCC1)[C@]1(C[NH3+])CCC[C@H](C(F)(F)F)C1 ZINC000069383461 522414072 /nfs/dbraw/zinc/41/40/72/522414072.db2.gz UPENCRYPLXLNMH-WCQYABFASA-N 2 2 294.361 2.547 10 0 CFAELP CC(C)(C)OCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195516028 518875079 /nfs/dbraw/zinc/87/50/79/518875079.db2.gz YEHNQMBPCGIUJU-CQSZACIVSA-N 2 2 277.412 2.631 10 0 CFAELP CC(C)(C)OCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195516028 518875084 /nfs/dbraw/zinc/87/50/84/518875084.db2.gz YEHNQMBPCGIUJU-CQSZACIVSA-N 2 2 277.412 2.631 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000070356777 519342708 /nfs/dbraw/zinc/34/27/08/519342708.db2.gz IBCGIDJHUJUGFC-XHSDSOJGSA-N 2 2 270.461 2.756 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)n1c(N)[nH+]c2c1cccc2F ZINC000049559078 519345338 /nfs/dbraw/zinc/34/53/38/519345338.db2.gz HBOXBIJNKXDSSN-LLVKDONJSA-N 2 2 278.375 2.906 10 0 CFAELP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C[NH+](C)C)C(C)C)c1 ZINC000049197129 519747400 /nfs/dbraw/zinc/74/74/00/519747400.db2.gz FXOYSZGWYMKESU-CXAGYDPISA-N 2 2 291.439 2.882 10 0 CFAELP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)c1 ZINC000049149827 519747501 /nfs/dbraw/zinc/74/75/01/519747501.db2.gz NCFGDTVXDBYQFY-UONOGXRCSA-N 2 2 289.423 2.780 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)NC1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000049208451 519814384 /nfs/dbraw/zinc/81/43/84/519814384.db2.gz ZSJAMBOVDKMZDT-KTGAGVNESA-N 2 2 295.515 2.671 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)NC1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC000049208451 519814385 /nfs/dbraw/zinc/81/43/85/519814385.db2.gz ZSJAMBOVDKMZDT-KTGAGVNESA-N 2 2 295.515 2.671 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+]Cc1ccccc1N1CCCC1 ZINC000049198322 519814657 /nfs/dbraw/zinc/81/46/57/519814657.db2.gz BEWDIONLDCFHNE-KRWDZBQOSA-N 2 2 289.467 2.963 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H](C)CCc1ccco1 ZINC000049197634 519814756 /nfs/dbraw/zinc/81/47/56/519814756.db2.gz QBLOILXRCUJEFH-ZFWWWQNUSA-N 2 2 252.402 2.777 10 0 CFAELP CC(C)[C@H](C[NH2+]C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000052419047 519815843 /nfs/dbraw/zinc/81/58/43/519815843.db2.gz MEAVKRVRYHQTRU-KRWDZBQOSA-N 2 2 258.409 2.821 10 0 CFAELP CC(C)[C@H](C[NH2+]C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000052419047 519815844 /nfs/dbraw/zinc/81/58/44/519815844.db2.gz MEAVKRVRYHQTRU-KRWDZBQOSA-N 2 2 258.409 2.821 10 0 CFAELP CCCC1CC[NH+]([C@@H](c2cccnc2)[C@H](C)[NH3+])CC1 ZINC000050893098 519902949 /nfs/dbraw/zinc/90/29/49/519902949.db2.gz RHWUTLQVOFVCHO-XJKSGUPXSA-N 2 2 261.413 2.982 10 0 CFAELP CCC[NH2+]C[C@@H](C(C)C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543351 519920697 /nfs/dbraw/zinc/92/06/97/519920697.db2.gz ZYBVDVGNSFNVAM-KBPBESRZSA-N 2 2 256.434 2.510 10 0 CFAELP CCC[NH2+]C[C@@H](C(C)C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543351 519920702 /nfs/dbraw/zinc/92/07/02/519920702.db2.gz ZYBVDVGNSFNVAM-KBPBESRZSA-N 2 2 256.434 2.510 10 0 CFAELP CC[NH2+]CC[C@H](C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000052376281 519927195 /nfs/dbraw/zinc/92/71/95/519927195.db2.gz BPJVJYCJESCROB-INIZCTEOSA-N 2 2 289.467 2.814 10 0 CFAELP CC[NH2+]CC[C@@H](C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052419025 519927531 /nfs/dbraw/zinc/92/75/31/519927531.db2.gz SKICUOZSEXUAOP-CQSZACIVSA-N 2 2 295.858 2.850 10 0 CFAELP CCC[NH2+]C[C@H](C(C)C)[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000052570728 519930303 /nfs/dbraw/zinc/93/03/03/519930303.db2.gz LGJPFKKMKUDNTE-SOUVJXGZSA-N 2 2 256.434 2.510 10 0 CFAELP CCC[NH2+]C[C@H](C(C)C)[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000052570728 519930316 /nfs/dbraw/zinc/93/03/16/519930316.db2.gz LGJPFKKMKUDNTE-SOUVJXGZSA-N 2 2 256.434 2.510 10 0 CFAELP CC[NH2+]C[C@H](C(C)C)[N@H+](Cc1ccco1)C1CC1 ZINC000052370777 519958025 /nfs/dbraw/zinc/95/80/25/519958025.db2.gz NHZKSCXZDKOYIE-OAHLLOKOSA-N 2 2 250.386 2.878 10 0 CFAELP CC[NH2+]C[C@H](C(C)C)[N@@H+](Cc1ccco1)C1CC1 ZINC000052370777 519958033 /nfs/dbraw/zinc/95/80/33/519958033.db2.gz NHZKSCXZDKOYIE-OAHLLOKOSA-N 2 2 250.386 2.878 10 0 CFAELP CC1(C)CC[NH+]([C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000061818499 520382461 /nfs/dbraw/zinc/38/24/61/520382461.db2.gz XXSSHFOHYGERSX-AWEZNQCLSA-N 2 2 250.361 2.948 10 0 CFAELP CCCC[N@H+](C)Cc1csc(C[NH2+]C2CC2)n1 ZINC000052417841 520419964 /nfs/dbraw/zinc/41/99/64/520419964.db2.gz ZQYDBXQSMNTHTR-UHFFFAOYSA-N 2 2 253.415 2.627 10 0 CFAELP CCCC[N@@H+](C)Cc1csc(C[NH2+]C2CC2)n1 ZINC000052417841 520419972 /nfs/dbraw/zinc/41/99/72/520419972.db2.gz ZQYDBXQSMNTHTR-UHFFFAOYSA-N 2 2 253.415 2.627 10 0 CFAELP CCC(CC)(C[NH2+]CC(C)C)C[N@@H+]1CCOC[C@H]1C ZINC000051216786 521439396 /nfs/dbraw/zinc/43/93/96/521439396.db2.gz GYDULIGPLZEVIF-OAHLLOKOSA-N 2 2 270.461 2.759 10 0 CFAELP CCC(CC)(C[NH2+]CC(C)C)C[N@H+]1CCOC[C@H]1C ZINC000051216786 521439410 /nfs/dbraw/zinc/43/94/10/521439410.db2.gz GYDULIGPLZEVIF-OAHLLOKOSA-N 2 2 270.461 2.759 10 0 CFAELP CCC[N@H+](CC)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596556 521615442 /nfs/dbraw/zinc/61/54/42/521615442.db2.gz RIAFTDFEHPRMDC-AWEZNQCLSA-N 2 2 250.386 2.735 10 0 CFAELP CCC[N@@H+](CC)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596556 521615445 /nfs/dbraw/zinc/61/54/45/521615445.db2.gz RIAFTDFEHPRMDC-AWEZNQCLSA-N 2 2 250.386 2.735 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2OC)C1 ZINC000328327852 521715483 /nfs/dbraw/zinc/71/54/83/521715483.db2.gz GRAANRMEQBEIMI-UONOGXRCSA-N 2 2 262.397 2.748 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2OC)C1 ZINC000328327852 521715484 /nfs/dbraw/zinc/71/54/84/521715484.db2.gz GRAANRMEQBEIMI-UONOGXRCSA-N 2 2 262.397 2.748 10 0 CFAELP CNc1[nH+]c2cc(OC)ccc2cc1Cn1cc[nH+]c1 ZINC000050818558 522687604 /nfs/dbraw/zinc/68/76/04/522687604.db2.gz YQTLGRDBSACBMR-UHFFFAOYSA-N 2 2 268.320 2.530 10 0 CFAELP CC[C@H]1CC[N@H+](Cc2ccc(F)cc2F)CCC[NH2+]1 ZINC000051017754 523164135 /nfs/dbraw/zinc/16/41/35/523164135.db2.gz OWQQOXKSYAWNDM-AWEZNQCLSA-N 2 2 268.351 2.929 10 0 CFAELP CC[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)CCC[NH2+]1 ZINC000051017754 523164147 /nfs/dbraw/zinc/16/41/47/523164147.db2.gz OWQQOXKSYAWNDM-AWEZNQCLSA-N 2 2 268.351 2.929 10 0 CFAELP CC[C@H]1COCC[N@@H+]1C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557058 523333778 /nfs/dbraw/zinc/33/37/78/523333778.db2.gz WNYJVMUKKJHQEP-PCKAHOCUSA-N 2 2 268.445 2.641 10 0 CFAELP CC[C@H]1COCC[N@H+]1C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557058 523333787 /nfs/dbraw/zinc/33/37/87/523333787.db2.gz WNYJVMUKKJHQEP-PCKAHOCUSA-N 2 2 268.445 2.641 10 0 CFAELP COCC[N@H+](C)C[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000048924466 523618220 /nfs/dbraw/zinc/61/82/20/523618220.db2.gz VZLJUQIMDALXNU-SFHVURJKSA-N 2 2 284.403 2.932 10 0 CFAELP COCC[N@@H+](C)C[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000048924466 523618225 /nfs/dbraw/zinc/61/82/25/523618225.db2.gz VZLJUQIMDALXNU-SFHVURJKSA-N 2 2 284.403 2.932 10 0 CFAELP C[NH+]1CCC(CNc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000054241339 523765183 /nfs/dbraw/zinc/76/51/83/523765183.db2.gz XXCSFUJOARADFJ-UHFFFAOYSA-N 2 2 288.439 2.826 10 0 CFAELP CCc1ccc(CN(C)c2cc[nH+]c(C[NH3+])c2)cc1 ZINC000061811588 523922897 /nfs/dbraw/zinc/92/28/97/523922897.db2.gz JEZNNVJKTQWNIG-UHFFFAOYSA-N 2 2 255.365 2.739 10 0 CFAELP COc1ccc(C[C@@H](C)[NH2+][C@H](C[NH+](C)C)C(C)C)cc1 ZINC000049197666 524139077 /nfs/dbraw/zinc/13/90/77/524139077.db2.gz VVHCAMGQBGALJE-RHSMWYFYSA-N 2 2 278.440 2.802 10 0 CFAELP Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000164984324 524200083 /nfs/dbraw/zinc/20/00/83/524200083.db2.gz UNJAFNMEQOPKQP-INIZCTEOSA-N 2 2 290.451 2.760 10 0 CFAELP Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000164984324 524200093 /nfs/dbraw/zinc/20/00/93/524200093.db2.gz UNJAFNMEQOPKQP-INIZCTEOSA-N 2 2 290.451 2.760 10 0 CFAELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000049151243 524592991 /nfs/dbraw/zinc/59/29/91/524592991.db2.gz OTPUIUOHTFMTIT-KBPBESRZSA-N 2 2 274.408 2.756 10 0 CFAELP Cc1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)oc1C[NH2+]C(C)C ZINC000052381020 524712105 /nfs/dbraw/zinc/71/21/05/524712105.db2.gz MQRNTALQTXAXFG-ZIAGYGMSSA-N 2 2 280.412 2.695 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccccc1)[N@H+](CCO)Cc1ccccc1 ZINC000050513929 525017065 /nfs/dbraw/zinc/01/70/65/525017065.db2.gz FOOFIPOXJFFPDY-CRAIPNDOSA-N 2 2 284.403 2.569 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1ccccc1)[N@@H+](CCO)Cc1ccccc1 ZINC000050513929 525017075 /nfs/dbraw/zinc/01/70/75/525017075.db2.gz FOOFIPOXJFFPDY-CRAIPNDOSA-N 2 2 284.403 2.569 10 0 CFAELP Cc1c(C)n([C@H](C)C[NH+]2CCCC2)c2nc(C)[nH+]c(N)c12 ZINC000049185782 525687506 /nfs/dbraw/zinc/68/75/06/525687506.db2.gz PUCPGMFOXBSZPY-SNVBAGLBSA-N 2 2 287.411 2.596 10 0 CFAELP Cc1c(C)n([C@@H](C)C[NH+]2CCCC2)c2nc(C)[nH+]c(N)c12 ZINC000049185781 525688201 /nfs/dbraw/zinc/68/82/01/525688201.db2.gz PUCPGMFOXBSZPY-JTQLQIEISA-N 2 2 287.411 2.596 10 0 CFAELP CSCc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)o1 ZINC000049554397 525730082 /nfs/dbraw/zinc/73/00/82/525730082.db2.gz GAPOUENWOCFTBJ-NSHDSACASA-N 2 2 256.415 2.572 10 0 CFAELP c1ccc2c(c1)oc(C[NH+]1CCOCC1)c2C[NH2+]C1CC1 ZINC000052377913 526515278 /nfs/dbraw/zinc/51/52/78/526515278.db2.gz HEHSLYLUYDCASQ-UHFFFAOYSA-N 2 2 286.375 2.517 10 0 CFAELP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])Cc2ccccc2)s1 ZINC000049534994 526746425 /nfs/dbraw/zinc/74/64/25/526746425.db2.gz FGUQJZNPQIJPGH-ABAIWWIYSA-N 2 2 289.448 2.981 10 0 CFAELP [NH3+]CCc1[nH+]ccn1Cc1cccc2ccccc21 ZINC000052304114 527199458 /nfs/dbraw/zinc/19/94/58/527199458.db2.gz IFIQKVDVFZAFNJ-UHFFFAOYSA-N 2 2 251.333 2.586 10 0 CFAELP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc([NH+](C)C)cc1 ZINC000083545991 535825347 /nfs/dbraw/zinc/82/53/47/535825347.db2.gz XTTFOEZPOCJCOJ-RHSMWYFYSA-N 2 2 275.440 2.965 10 0 CFAELP CC[C@@H]1CCC[C@H](C[NH2+]C[C@H]2C[N@H+](CC)CCO2)C1 ZINC000394602889 574359700 /nfs/dbraw/zinc/35/97/00/574359700.db2.gz GIRHKZXNPKEUOS-PMPSAXMXSA-N 2 2 268.445 2.513 10 0 CFAELP CC[C@@H]1CCC[C@H](C[NH2+]C[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000394602889 574359703 /nfs/dbraw/zinc/35/97/03/574359703.db2.gz GIRHKZXNPKEUOS-PMPSAXMXSA-N 2 2 268.445 2.513 10 0 CFAELP CO[C@@H]1C[C@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)C12CCC2 ZINC000308394731 618200472 /nfs/dbraw/zinc/20/04/72/618200472.db2.gz OJZSDXKFQQLKKI-QLFBSQMISA-N 2 2 268.445 2.510 10 0 CFAELP COc1ccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c2ccccc12 ZINC000261634249 619182235 /nfs/dbraw/zinc/18/22/35/619182235.db2.gz DVUBZAVYMGSRAX-BLLLJJGKSA-N 2 2 270.376 2.627 10 0 CFAELP COc1ccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c2ccccc12 ZINC000261634249 619182236 /nfs/dbraw/zinc/18/22/36/619182236.db2.gz DVUBZAVYMGSRAX-BLLLJJGKSA-N 2 2 270.376 2.627 10 0 CFAELP CCC[NH+]1CCC([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000070528261 625339562 /nfs/dbraw/zinc/33/95/62/625339562.db2.gz JCZBQLYJSUDTKA-OAHLLOKOSA-N 2 2 260.381 2.584 10 0 CFAELP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262075182 619489054 /nfs/dbraw/zinc/48/90/54/619489054.db2.gz SLGLOCJNRVGNFM-MFKMUULPSA-N 2 2 272.314 2.793 10 0 CFAELP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262075182 619489055 /nfs/dbraw/zinc/48/90/55/619489055.db2.gz SLGLOCJNRVGNFM-MFKMUULPSA-N 2 2 272.314 2.793 10 0 CFAELP c1ccc2sc(CCC[NH2+][C@@H]3CCC[NH2+]C3)nc2c1 ZINC000067955824 624966968 /nfs/dbraw/zinc/96/69/68/624966968.db2.gz MBONCRXYVKPDEP-GFCCVEGCSA-N 2 2 275.421 2.571 10 0 CFAELP Cc1ccsc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151288420 232215046 /nfs/dbraw/zinc/21/50/46/232215046.db2.gz JFVXDQFOKHBDRU-KBPBESRZSA-N 2 2 282.453 2.554 10 0 CFAELP Cc1cc2ccccc2[nH+]c1NC[C@H]1CCC[NH2+]C1 ZINC000063106332 346696732 /nfs/dbraw/zinc/69/67/32/346696732.db2.gz KKKRKFOMORTGAR-ZDUSSCGKSA-N 2 2 255.365 2.955 10 0 CFAELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC000113267011 347766071 /nfs/dbraw/zinc/76/60/71/347766071.db2.gz YSOAIEAPCFWBNC-KRWDZBQOSA-N 2 2 276.424 2.620 10 0 CFAELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC000113267011 347766075 /nfs/dbraw/zinc/76/60/75/347766075.db2.gz YSOAIEAPCFWBNC-KRWDZBQOSA-N 2 2 276.424 2.620 10 0 CFAELP Cc1cc2ccccc2[nH+]c1NCC[C@H]1CC[NH2+]C1 ZINC000110797946 347750206 /nfs/dbraw/zinc/75/02/06/347750206.db2.gz JEQGDLXVOKQXJC-CYBMUJFWSA-N 2 2 255.365 2.955 10 0 CFAELP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccnc2ccccc12 ZINC000111763499 347756568 /nfs/dbraw/zinc/75/65/68/347756568.db2.gz QYBMJHVACNCXTG-CYBMUJFWSA-N 2 2 266.348 2.610 10 0 CFAELP C[N@@H+]1CCC[C@H](Nc2ccc[nH+]c2N2CCCC2)CC1 ZINC000086817605 179346144 /nfs/dbraw/zinc/34/61/44/179346144.db2.gz FARMRCXTSWKNEW-AWEZNQCLSA-N 2 2 274.412 2.578 10 0 CFAELP C[N@H+]1CCC[C@H](Nc2ccc[nH+]c2N2CCCC2)CC1 ZINC000086817605 179346145 /nfs/dbraw/zinc/34/61/45/179346145.db2.gz FARMRCXTSWKNEW-AWEZNQCLSA-N 2 2 274.412 2.578 10 0 CFAELP CC(C)c1csc([C@]2([NH3+])CCC[N@H+](C)CC2)n1 ZINC000086833617 179350573 /nfs/dbraw/zinc/35/05/73/179350573.db2.gz OGLNXOPNXVEQIF-ZDUSSCGKSA-N 2 2 253.415 2.536 10 0 CFAELP CC(C)c1csc([C@]2([NH3+])CCC[N@@H+](C)CC2)n1 ZINC000086833617 179350576 /nfs/dbraw/zinc/35/05/76/179350576.db2.gz OGLNXOPNXVEQIF-ZDUSSCGKSA-N 2 2 253.415 2.536 10 0 CFAELP COCc1ccc(C[N@H+](C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000328639098 348442083 /nfs/dbraw/zinc/44/20/83/348442083.db2.gz PLCWCGFCQRSYDT-MRXNPFEDSA-N 2 2 274.408 2.549 10 0 CFAELP COCc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000328639098 348442087 /nfs/dbraw/zinc/44/20/87/348442087.db2.gz PLCWCGFCQRSYDT-MRXNPFEDSA-N 2 2 274.408 2.549 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382445867 348529208 /nfs/dbraw/zinc/52/92/08/348529208.db2.gz AQYISAAJMBWHQY-TZMCWYRMSA-N 2 2 255.365 2.504 10 0 CFAELP COCCn1c[nH+]cc1-c1ccccc1[C@H]1CCC[NH2+]1 ZINC000584617333 348691429 /nfs/dbraw/zinc/69/14/29/348691429.db2.gz PLVAWVZYTSHFIK-OAHLLOKOSA-N 2 2 271.364 2.621 10 0 CFAELP CCCC[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000590126585 348876473 /nfs/dbraw/zinc/87/64/73/348876473.db2.gz OUIKHKWLDQPVNH-GOSISDBHSA-N 2 2 290.451 2.744 10 0 CFAELP CCCC[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000590126585 348876476 /nfs/dbraw/zinc/87/64/76/348876476.db2.gz OUIKHKWLDQPVNH-GOSISDBHSA-N 2 2 290.451 2.744 10 0 CFAELP CCCC[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000590126585 348876479 /nfs/dbraw/zinc/87/64/79/348876479.db2.gz OUIKHKWLDQPVNH-GOSISDBHSA-N 2 2 290.451 2.744 10 0 CFAELP CCCC[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000590126585 348876484 /nfs/dbraw/zinc/87/64/84/348876484.db2.gz OUIKHKWLDQPVNH-GOSISDBHSA-N 2 2 290.451 2.744 10 0 CFAELP [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000089149334 179725431 /nfs/dbraw/zinc/72/54/31/179725431.db2.gz MOEDKSZMAQVUDV-XJKSGUPXSA-N 2 2 259.397 2.826 10 0 CFAELP Cc1ncsc1C[N@@H+](C)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000104448246 186006392 /nfs/dbraw/zinc/00/63/92/186006392.db2.gz AIJMCNXALGQNLA-FZMZJTMJSA-N 2 2 267.442 2.791 10 0 CFAELP Cc1ncsc1C[N@H+](C)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000104448246 186006394 /nfs/dbraw/zinc/00/63/94/186006394.db2.gz AIJMCNXALGQNLA-FZMZJTMJSA-N 2 2 267.442 2.791 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000105897434 186085664 /nfs/dbraw/zinc/08/56/64/186085664.db2.gz DXGAVDGBMHGDEP-OAHLLOKOSA-N 2 2 270.380 2.678 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000105897434 186085667 /nfs/dbraw/zinc/08/56/67/186085667.db2.gz DXGAVDGBMHGDEP-OAHLLOKOSA-N 2 2 270.380 2.678 10 0 CFAELP CC[N@@H+]1CCC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000110102449 186284647 /nfs/dbraw/zinc/28/46/47/186284647.db2.gz IXZWORAQDFOTLS-ZDUSSCGKSA-N 2 2 260.385 2.559 10 0 CFAELP CC[N@H+]1CCC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000110102449 186284648 /nfs/dbraw/zinc/28/46/48/186284648.db2.gz IXZWORAQDFOTLS-ZDUSSCGKSA-N 2 2 260.385 2.559 10 0 CFAELP C[C@@H]([NH2+][C@H]1C2CC[NH+](CC2)C12CC2)c1ccccc1 ZINC000616578604 352373515 /nfs/dbraw/zinc/37/35/15/352373515.db2.gz OVSYVGHNEHSUBT-CJNGLKHVSA-N 2 2 256.393 2.964 10 0 CFAELP [NH3+]CC[N@@H+]1CCC[C@H](c2nccc3ccccc32)CC1 ZINC000616600087 352379163 /nfs/dbraw/zinc/37/91/63/352379163.db2.gz ALLUSPYNOMIMJJ-HNNXBMFYSA-N 2 2 269.392 2.763 10 0 CFAELP [NH3+]CC[N@H+]1CCC[C@H](c2nccc3ccccc32)CC1 ZINC000616600087 352379165 /nfs/dbraw/zinc/37/91/65/352379165.db2.gz ALLUSPYNOMIMJJ-HNNXBMFYSA-N 2 2 269.392 2.763 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1nccc2ccccc21 ZINC000616616129 352385404 /nfs/dbraw/zinc/38/54/04/352385404.db2.gz IMWQRRIUSBWOCN-HNNXBMFYSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1nccc2ccccc21 ZINC000616616129 352385408 /nfs/dbraw/zinc/38/54/08/352385408.db2.gz IMWQRRIUSBWOCN-HNNXBMFYSA-N 2 2 255.365 2.721 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(OC)c2)C1 ZINC000623551009 353669913 /nfs/dbraw/zinc/66/99/13/353669913.db2.gz HQKQSPKJVJFQKG-GFCCVEGCSA-N 2 2 268.788 2.532 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(OC)c2)C1 ZINC000623551009 353669915 /nfs/dbraw/zinc/66/99/15/353669915.db2.gz HQKQSPKJVJFQKG-GFCCVEGCSA-N 2 2 268.788 2.532 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000675054543 540355198 /nfs/dbraw/zinc/35/51/98/540355198.db2.gz OATQMRJWKBUNAI-STQMWFEESA-N 2 2 283.213 2.933 10 0 CFAELP CC[N@H+]1CC[C@H]([NH3+])C[C@H]1c1ccc(Br)cc1 ZINC000675054543 540355200 /nfs/dbraw/zinc/35/52/00/540355200.db2.gz OATQMRJWKBUNAI-STQMWFEESA-N 2 2 283.213 2.933 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000180123229 189237969 /nfs/dbraw/zinc/23/79/69/189237969.db2.gz ZBSBGILTMLDIHR-MRXNPFEDSA-N 2 2 295.390 2.732 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000180123229 189237970 /nfs/dbraw/zinc/23/79/70/189237970.db2.gz ZBSBGILTMLDIHR-MRXNPFEDSA-N 2 2 295.390 2.732 10 0 CFAELP CCc1c(C)[nH+]c(-c2ccc(C)cc2)nc1N1CC[NH2+]CC1 ZINC000006705106 371890795 /nfs/dbraw/zinc/89/07/95/371890795.db2.gz UGGUBVJZEGZIGV-UHFFFAOYSA-N 2 2 296.418 2.732 10 0 CFAELP [NH3+]C[C@@H](c1ccc2c(c1)OCCCO2)[NH+]1CCCCCC1 ZINC000037675135 372689196 /nfs/dbraw/zinc/68/91/96/372689196.db2.gz IOLBRIGDFWRXOF-HNNXBMFYSA-N 2 2 290.407 2.724 10 0 CFAELP c1cn(CCC[N@H+](Cc2ccoc2)Cc2ccncc2)c[nH+]1 ZINC000055036646 373534472 /nfs/dbraw/zinc/53/44/72/373534472.db2.gz MHAJPTXGCCYPKI-UHFFFAOYSA-N 2 2 296.374 2.964 10 0 CFAELP c1cn(CCC[N@@H+](Cc2ccoc2)Cc2ccncc2)c[nH+]1 ZINC000055036646 373534480 /nfs/dbraw/zinc/53/44/80/373534480.db2.gz MHAJPTXGCCYPKI-UHFFFAOYSA-N 2 2 296.374 2.964 10 0 CFAELP Cc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070456440 374181146 /nfs/dbraw/zinc/18/11/46/374181146.db2.gz UDXPSYBSQYUCHO-AWEZNQCLSA-N 2 2 286.354 2.755 10 0 CFAELP CCc1cc(N2CCC([NH3+])CC2)nc(-c2ccc(C)cc2)[nH+]1 ZINC000070451802 374178293 /nfs/dbraw/zinc/17/82/93/374178293.db2.gz DXNFCVZVNXTPAQ-UHFFFAOYSA-N 2 2 296.418 2.942 10 0 CFAELP CC(C)n1c[nH+]cc1C[NH2+][C@@H]1COc2ccccc21 ZINC000090209399 375004255 /nfs/dbraw/zinc/00/42/55/375004255.db2.gz ZXLDOCGQBLQBIB-CQSZACIVSA-N 2 2 257.337 2.687 10 0 CFAELP [NH3+]CC[C@@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000090804017 375031882 /nfs/dbraw/zinc/03/18/82/375031882.db2.gz WDHKVHAQQCKMII-JTQLQIEISA-N 2 2 273.302 2.666 10 0 CFAELP Cc1cc(NC[C@H](C)[N@H+](C)C2CC2)nc(-c2ccncc2)[nH+]1 ZINC000112079984 375883571 /nfs/dbraw/zinc/88/35/71/375883571.db2.gz BSYGISJXMLXCCK-ZDUSSCGKSA-N 2 2 297.406 2.742 10 0 CFAELP Cc1cc(NC[C@H](C)[N@@H+](C)C2CC2)nc(-c2ccncc2)[nH+]1 ZINC000112079984 375883574 /nfs/dbraw/zinc/88/35/74/375883574.db2.gz BSYGISJXMLXCCK-ZDUSSCGKSA-N 2 2 297.406 2.742 10 0 CFAELP c1cc(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)no1 ZINC000679574928 542210695 /nfs/dbraw/zinc/21/06/95/542210695.db2.gz NNDGCWIAGFAUPT-SZMVWBNQSA-N 2 2 297.402 2.675 10 0 CFAELP c1cc(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)no1 ZINC000679574928 542210699 /nfs/dbraw/zinc/21/06/99/542210699.db2.gz NNDGCWIAGFAUPT-SZMVWBNQSA-N 2 2 297.402 2.675 10 0 CFAELP Cc1csc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000130932324 377633358 /nfs/dbraw/zinc/63/33/58/377633358.db2.gz AVSXLDJFKKJYBL-ZDUSSCGKSA-N 2 2 288.420 2.781 10 0 CFAELP Cc1csc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000130932324 377633364 /nfs/dbraw/zinc/63/33/64/377633364.db2.gz AVSXLDJFKKJYBL-ZDUSSCGKSA-N 2 2 288.420 2.781 10 0 CFAELP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])s1 ZINC000131418310 377708817 /nfs/dbraw/zinc/70/88/17/377708817.db2.gz CFUQGLZRKDDYMN-NSHDSACASA-N 2 2 252.427 2.969 10 0 CFAELP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H]2C[NH3+])s1 ZINC000131418310 377708821 /nfs/dbraw/zinc/70/88/21/377708821.db2.gz CFUQGLZRKDDYMN-NSHDSACASA-N 2 2 252.427 2.969 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000135056402 378077978 /nfs/dbraw/zinc/07/79/78/378077978.db2.gz OTVNQPNATBNQRX-LBPRGKRZSA-N 2 2 276.409 2.739 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000135056402 378077982 /nfs/dbraw/zinc/07/79/82/378077982.db2.gz OTVNQPNATBNQRX-LBPRGKRZSA-N 2 2 276.409 2.739 10 0 CFAELP O[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000135631381 378151891 /nfs/dbraw/zinc/15/18/91/378151891.db2.gz UPJSNJWMUGZVKU-SJORKVTESA-N 2 2 285.391 2.656 10 0 CFAELP C[NH2+]CC1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000168719946 379094269 /nfs/dbraw/zinc/09/42/69/379094269.db2.gz WOBLSUMROOYTDJ-UHFFFAOYSA-N 2 2 255.365 2.671 10 0 CFAELP c1ccc(OCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171646963 379363208 /nfs/dbraw/zinc/36/32/08/379363208.db2.gz QCGKXYBEGZXRAQ-MRXNPFEDSA-N 2 2 297.402 2.894 10 0 CFAELP c1ccc(OCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171646963 379363213 /nfs/dbraw/zinc/36/32/13/379363213.db2.gz QCGKXYBEGZXRAQ-MRXNPFEDSA-N 2 2 297.402 2.894 10 0 CFAELP C[C@H]([NH2+]Cc1ccc(CO)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651173 379924285 /nfs/dbraw/zinc/92/42/85/379924285.db2.gz FWLQEKIQARSKRU-ZDUSSCGKSA-N 2 2 297.358 2.808 10 0 CFAELP c1csc([C@H]2CCCC[N@H+]2C[C@@H]2CCC[NH2+]C2)n1 ZINC000335866108 380018500 /nfs/dbraw/zinc/01/85/00/380018500.db2.gz ZEANKGWJQUAFTL-CHWSQXEVSA-N 2 2 265.426 2.670 10 0 CFAELP c1csc([C@H]2CCCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)n1 ZINC000335866108 380018509 /nfs/dbraw/zinc/01/85/09/380018509.db2.gz ZEANKGWJQUAFTL-CHWSQXEVSA-N 2 2 265.426 2.670 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccnc1C ZINC000180131832 380624920 /nfs/dbraw/zinc/62/49/20/380624920.db2.gz VBHBPEVWDJYWPX-INIZCTEOSA-N 2 2 270.380 2.560 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccnc1C ZINC000180131832 380624925 /nfs/dbraw/zinc/62/49/25/380624925.db2.gz VBHBPEVWDJYWPX-INIZCTEOSA-N 2 2 270.380 2.560 10 0 CFAELP Cc1nc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cs1 ZINC000348318287 381504117 /nfs/dbraw/zinc/50/41/17/381504117.db2.gz KDTMSZIBYJEUPJ-ZYHUDNBSSA-N 2 2 253.415 2.586 10 0 CFAELP Cc1nc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cs1 ZINC000348318287 381504124 /nfs/dbraw/zinc/50/41/24/381504124.db2.gz KDTMSZIBYJEUPJ-ZYHUDNBSSA-N 2 2 253.415 2.586 10 0 CFAELP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000185223091 381569070 /nfs/dbraw/zinc/56/90/70/381569070.db2.gz DUPIYWWKHLXRIR-MRXNPFEDSA-N 2 2 273.355 2.995 10 0 CFAELP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000185223091 381569074 /nfs/dbraw/zinc/56/90/74/381569074.db2.gz DUPIYWWKHLXRIR-MRXNPFEDSA-N 2 2 273.355 2.995 10 0 CFAELP Fc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000188409196 382408221 /nfs/dbraw/zinc/40/82/21/382408221.db2.gz WETWOYYXNHPVMN-CQSZACIVSA-N 2 2 277.318 2.826 10 0 CFAELP Fc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000188409196 382408223 /nfs/dbraw/zinc/40/82/23/382408223.db2.gz WETWOYYXNHPVMN-CQSZACIVSA-N 2 2 277.318 2.826 10 0 CFAELP [NH3+]C[C@H]1CC[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000382453654 382530781 /nfs/dbraw/zinc/53/07/81/382530781.db2.gz HOMSDYRNVIBZOM-WPRPVWTQSA-N 2 2 259.275 2.640 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000389268989 382613510 /nfs/dbraw/zinc/61/35/10/382613510.db2.gz QOXXSVQNMUJLTC-YOEHRIQHSA-N 2 2 274.408 2.756 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000389268989 382613512 /nfs/dbraw/zinc/61/35/12/382613512.db2.gz QOXXSVQNMUJLTC-YOEHRIQHSA-N 2 2 274.408 2.756 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccc(C)cc3)C2)C1 ZINC000389548432 382615409 /nfs/dbraw/zinc/61/54/09/382615409.db2.gz NGSDKPKRVQMWHH-CGZBRXJRSA-N 2 2 258.409 2.925 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+]C2CC(c3ccc(C)cc3)C2)C1 ZINC000389548432 382615412 /nfs/dbraw/zinc/61/54/12/382615412.db2.gz NGSDKPKRVQMWHH-CGZBRXJRSA-N 2 2 258.409 2.925 10 0 CFAELP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390650683 382618828 /nfs/dbraw/zinc/61/88/28/382618828.db2.gz WIWKFVWLCIRBGF-KZNAEPCWSA-N 2 2 288.435 2.544 10 0 CFAELP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390650683 382618831 /nfs/dbraw/zinc/61/88/31/382618831.db2.gz WIWKFVWLCIRBGF-KZNAEPCWSA-N 2 2 288.435 2.544 10 0 CFAELP Cc1cc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000195516162 382768640 /nfs/dbraw/zinc/76/86/40/382768640.db2.gz FQGLVNFATGIGTJ-AWEZNQCLSA-N 2 2 286.379 2.620 10 0 CFAELP Cc1cc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000195516162 382768641 /nfs/dbraw/zinc/76/86/41/382768641.db2.gz FQGLVNFATGIGTJ-AWEZNQCLSA-N 2 2 286.379 2.620 10 0 CFAELP C[N@H+](Cc1c(F)cccc1F)[C@H]1CCC[NH2+]CC1 ZINC000226451214 382828920 /nfs/dbraw/zinc/82/89/20/382828920.db2.gz NVWLLOZVDUEYQF-NSHDSACASA-N 2 2 254.324 2.539 10 0 CFAELP C[N@@H+](Cc1c(F)cccc1F)[C@H]1CCC[NH2+]CC1 ZINC000226451214 382828922 /nfs/dbraw/zinc/82/89/22/382828922.db2.gz NVWLLOZVDUEYQF-NSHDSACASA-N 2 2 254.324 2.539 10 0 CFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000247352475 383166397 /nfs/dbraw/zinc/16/63/97/383166397.db2.gz OBVKXOJEAKLVFU-ZWNOBZJWSA-N 2 2 253.777 2.876 10 0 CFAELP CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000247352475 383166401 /nfs/dbraw/zinc/16/64/01/383166401.db2.gz OBVKXOJEAKLVFU-ZWNOBZJWSA-N 2 2 253.777 2.876 10 0 CFAELP c1ccc(NC[C@@H]2CC[N@H+](C[C@H]3CCC=CO3)C2)[nH+]c1 ZINC000248995449 383315639 /nfs/dbraw/zinc/31/56/39/383315639.db2.gz OTFJFODSKQDXRT-LSDHHAIUSA-N 2 2 273.380 2.508 10 0 CFAELP c1ccc(NC[C@@H]2CC[N@@H+](C[C@H]3CCC=CO3)C2)[nH+]c1 ZINC000248995449 383315642 /nfs/dbraw/zinc/31/56/42/383315642.db2.gz OTFJFODSKQDXRT-LSDHHAIUSA-N 2 2 273.380 2.508 10 0 CFAELP Cc1cc(Cl)cc(C)c1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261979040 383590176 /nfs/dbraw/zinc/59/01/76/383590176.db2.gz JASLCAVAHKDSOW-RISCZKNCSA-N 2 2 252.789 2.736 10 0 CFAELP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261979040 383590177 /nfs/dbraw/zinc/59/01/77/383590177.db2.gz JASLCAVAHKDSOW-RISCZKNCSA-N 2 2 252.789 2.736 10 0 CFAELP CC(C)COc1ccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000262017605 383595351 /nfs/dbraw/zinc/59/53/51/383595351.db2.gz MWCBEDUNNMBMMA-XJKSGUPXSA-N 2 2 262.397 2.500 10 0 CFAELP CC(C)COc1ccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000262017605 383595356 /nfs/dbraw/zinc/59/53/56/383595356.db2.gz MWCBEDUNNMBMMA-XJKSGUPXSA-N 2 2 262.397 2.500 10 0 CFAELP C[C@]1(C[N@@H+]2CCCC[C@H]2c2nccs2)CC[NH2+]C1 ZINC000262035913 383596699 /nfs/dbraw/zinc/59/66/99/383596699.db2.gz OPFMKHQMVPGIIA-JSGCOSHPSA-N 2 2 265.426 2.670 10 0 CFAELP C[C@]1(C[N@H+]2CCCC[C@H]2c2nccs2)CC[NH2+]C1 ZINC000262035913 383596702 /nfs/dbraw/zinc/59/67/02/383596702.db2.gz OPFMKHQMVPGIIA-JSGCOSHPSA-N 2 2 265.426 2.670 10 0 CFAELP C[C@]1(C[N@@H+]2CCCC[C@@H]2c2nccs2)CC[NH2+]C1 ZINC000262035916 383597150 /nfs/dbraw/zinc/59/71/50/383597150.db2.gz OPFMKHQMVPGIIA-OCCSQVGLSA-N 2 2 265.426 2.670 10 0 CFAELP C[C@]1(C[N@H+]2CCCC[C@@H]2c2nccs2)CC[NH2+]C1 ZINC000262035916 383597155 /nfs/dbraw/zinc/59/71/55/383597155.db2.gz OPFMKHQMVPGIIA-OCCSQVGLSA-N 2 2 265.426 2.670 10 0 CFAELP C[NH+](C)C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000070346261 412972355 /nfs/dbraw/zinc/97/23/55/412972355.db2.gz XRKHHKRVMKSEJX-JKSUJKDBSA-N 2 2 276.424 2.837 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000247043685 285269847 /nfs/dbraw/zinc/26/98/47/285269847.db2.gz MWTHRNZOSWIIEJ-HOCLYGCPSA-N 2 2 274.408 2.974 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000247043685 285269848 /nfs/dbraw/zinc/26/98/48/285269848.db2.gz MWTHRNZOSWIIEJ-HOCLYGCPSA-N 2 2 274.408 2.974 10 0 CFAELP FC1(F)CCCC[C@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000381723498 393567111 /nfs/dbraw/zinc/56/71/11/393567111.db2.gz RVETXZFNBQJBQV-XQQFMLRXSA-N 2 2 258.356 2.638 10 0 CFAELP FC1(F)CCCC[C@H]1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000381723498 393567113 /nfs/dbraw/zinc/56/71/13/393567113.db2.gz RVETXZFNBQJBQV-XQQFMLRXSA-N 2 2 258.356 2.638 10 0 CFAELP CO[C@@H](C[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000400260978 393599692 /nfs/dbraw/zinc/59/96/92/393599692.db2.gz SDSFXUODEFJDCI-YOEHRIQHSA-N 2 2 276.424 2.522 10 0 CFAELP CO[C@@H](C[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000400260978 393599697 /nfs/dbraw/zinc/59/96/97/393599697.db2.gz SDSFXUODEFJDCI-YOEHRIQHSA-N 2 2 276.424 2.522 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)C12CCC2 ZINC000246209949 393854141 /nfs/dbraw/zinc/85/41/41/393854141.db2.gz KBZKYVIYAWTIBW-YHUYYLMFSA-N 2 2 280.456 2.652 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)C12CCC2 ZINC000246209949 393854143 /nfs/dbraw/zinc/85/41/43/393854143.db2.gz KBZKYVIYAWTIBW-YHUYYLMFSA-N 2 2 280.456 2.652 10 0 CFAELP C[C@H](c1ccc(Cl)cn1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423510379 394285913 /nfs/dbraw/zinc/28/59/13/394285913.db2.gz NSGKGEXPYZBWAM-JTNHKYCSSA-N 2 2 267.804 2.713 10 0 CFAELP C[C@H](c1ccc(Cl)cn1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423510379 394285915 /nfs/dbraw/zinc/28/59/15/394285915.db2.gz NSGKGEXPYZBWAM-JTNHKYCSSA-N 2 2 267.804 2.713 10 0 CFAELP CC(C)[C@@H]1CN(c2ccc([NH+](C)C)cc2)[C@H](C)C[NH2+]1 ZINC000083449835 135022605 /nfs/dbraw/zinc/02/26/05/135022605.db2.gz ZGMLSQHEGGLDSL-CJNGLKHVSA-N 2 2 261.413 2.575 10 0 CFAELP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)C1 ZINC000384488759 543101344 /nfs/dbraw/zinc/10/13/44/543101344.db2.gz JONYZKUQORWEFU-YESZJQIVSA-N 2 2 282.472 2.638 10 0 CFAELP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC000384488759 543101346 /nfs/dbraw/zinc/10/13/46/543101346.db2.gz JONYZKUQORWEFU-YESZJQIVSA-N 2 2 282.472 2.638 10 0 CFAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)n1C ZINC000657302751 413423448 /nfs/dbraw/zinc/42/34/48/413423448.db2.gz WIZOBIBHNAASNP-WDEREUQCSA-N 2 2 275.318 2.939 10 0 CFAELP COc1cc(OC)cc([C@H](C[NH3+])[N@@H+]2CCCC[C@@H]2C)c1 ZINC000019840880 170889345 /nfs/dbraw/zinc/88/93/45/170889345.db2.gz BANRMNOUCIOJSJ-LRDDRELGSA-N 2 2 278.396 2.578 10 0 CFAELP COc1cc(OC)cc([C@H](C[NH3+])[N@H+]2CCCC[C@@H]2C)c1 ZINC000019840880 170889346 /nfs/dbraw/zinc/88/93/46/170889346.db2.gz BANRMNOUCIOJSJ-LRDDRELGSA-N 2 2 278.396 2.578 10 0 CFAELP C[N@H+](CC1CCCCC1)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226438 171091276 /nfs/dbraw/zinc/09/12/76/171091276.db2.gz FQIQDXDBELMFGL-HNNXBMFYSA-N 2 2 290.407 2.927 10 0 CFAELP C[N@@H+](CC1CCCCC1)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226438 171091279 /nfs/dbraw/zinc/09/12/79/171091279.db2.gz FQIQDXDBELMFGL-HNNXBMFYSA-N 2 2 290.407 2.927 10 0 CFAELP CCOc1ccc([C@H](C[NH3+])[N@H+](C)CC(C)C)cc1 ZINC000020226251 171091836 /nfs/dbraw/zinc/09/18/36/171091836.db2.gz YDNXONPALGWZCR-HNNXBMFYSA-N 2 2 250.386 2.673 10 0 CFAELP CCOc1ccc([C@H](C[NH3+])[N@@H+](C)CC(C)C)cc1 ZINC000020226251 171091837 /nfs/dbraw/zinc/09/18/37/171091837.db2.gz YDNXONPALGWZCR-HNNXBMFYSA-N 2 2 250.386 2.673 10 0 CFAELP C[N@@H+](Cc1cccc(F)c1)C[C@@H]([NH3+])c1ccccc1 ZINC000020266818 171123551 /nfs/dbraw/zinc/12/35/51/171123551.db2.gz UPGDPYMPSHAAET-MRXNPFEDSA-N 2 2 258.340 2.958 10 0 CFAELP C[N@H+](Cc1cccc(F)c1)C[C@@H]([NH3+])c1ccccc1 ZINC000020266818 171123552 /nfs/dbraw/zinc/12/35/52/171123552.db2.gz UPGDPYMPSHAAET-MRXNPFEDSA-N 2 2 258.340 2.958 10 0 CFAELP C[N@H+](Cc1cccc(F)c1)CC1([NH3+])CCCCC1 ZINC000020266789 171123676 /nfs/dbraw/zinc/12/36/76/171123676.db2.gz MJGTUGQJLQBKAX-UHFFFAOYSA-N 2 2 250.361 2.919 10 0 CFAELP C[N@@H+](Cc1cccc(F)c1)CC1([NH3+])CCCCC1 ZINC000020266789 171123678 /nfs/dbraw/zinc/12/36/78/171123678.db2.gz MJGTUGQJLQBKAX-UHFFFAOYSA-N 2 2 250.361 2.919 10 0 CFAELP CCOc1ccccc1[C@H](C[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000022216472 171375803 /nfs/dbraw/zinc/37/58/03/171375803.db2.gz ZBDRYEUEYXDKSF-ZFWWWQNUSA-N 2 2 262.397 2.960 10 0 CFAELP CCOc1ccccc1[C@H](C[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000022216472 171375805 /nfs/dbraw/zinc/37/58/05/171375805.db2.gz ZBDRYEUEYXDKSF-ZFWWWQNUSA-N 2 2 262.397 2.960 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000022216357 171375917 /nfs/dbraw/zinc/37/59/17/171375917.db2.gz HFGAEKBLCBOJGA-DVOMOZLQSA-N 2 2 262.397 2.673 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000022216357 171375918 /nfs/dbraw/zinc/37/59/18/171375918.db2.gz HFGAEKBLCBOJGA-DVOMOZLQSA-N 2 2 262.397 2.673 10 0 CFAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Br)cc1F ZINC000035503741 172237575 /nfs/dbraw/zinc/23/75/75/172237575.db2.gz LXJBBPMQPJCILV-LLVKDONJSA-N 2 2 298.159 2.815 10 0 CFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(C)c(OC)c1 ZINC000035570197 172265303 /nfs/dbraw/zinc/26/53/03/172265303.db2.gz GUUJUZFOZPPRQH-CYBMUJFWSA-N 2 2 259.353 2.620 10 0 CFAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000036946741 172822224 /nfs/dbraw/zinc/82/22/24/172822224.db2.gz LAOTVUHXSNOWBD-SNVBAGLBSA-N 2 2 255.243 2.671 10 0 CFAELP CC[C@@H](C)C[N@H+](C)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000037172596 173006312 /nfs/dbraw/zinc/00/63/12/173006312.db2.gz KOAZCFMBUNFUHT-YGRLFVJLSA-N 2 2 256.340 2.943 10 0 CFAELP CC[C@@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000037172596 173006314 /nfs/dbraw/zinc/00/63/14/173006314.db2.gz KOAZCFMBUNFUHT-YGRLFVJLSA-N 2 2 256.340 2.943 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@H](CC[NH3+])C(F)(F)F ZINC000037178907 173011950 /nfs/dbraw/zinc/01/19/50/173011950.db2.gz FAGUOPIVVDXOOS-LLVKDONJSA-N 2 2 257.259 2.797 10 0 CFAELP Cc1ccc2sc([C@@H]([NH3+])Cc3c[nH+]c[nH]3)nc2c1 ZINC000037204474 173026670 /nfs/dbraw/zinc/02/66/70/173026670.db2.gz UGSPRJAYMZLOFV-JTQLQIEISA-N 2 2 258.350 2.570 10 0 CFAELP Cc1ccc2sc([C@@H]([NH3+])Cc3c[nH]c[nH+]3)nc2c1 ZINC000037204474 173026673 /nfs/dbraw/zinc/02/66/73/173026673.db2.gz UGSPRJAYMZLOFV-JTQLQIEISA-N 2 2 258.350 2.570 10 0 CFAELP [NH3+][C@H](Cc1c[nH+]c[nH]1)c1nc2cccc(Cl)c2s1 ZINC000037206046 173027580 /nfs/dbraw/zinc/02/75/80/173027580.db2.gz VJUUAVAMRYSUCK-SECBINFHSA-N 2 2 278.768 2.915 10 0 CFAELP [NH3+][C@H](Cc1c[nH]c[nH+]1)c1nc2cccc(Cl)c2s1 ZINC000037206046 173027582 /nfs/dbraw/zinc/02/75/82/173027582.db2.gz VJUUAVAMRYSUCK-SECBINFHSA-N 2 2 278.768 2.915 10 0 CFAELP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037314065 173115892 /nfs/dbraw/zinc/11/58/92/173115892.db2.gz KGCNNLZOVNOAPA-APIJFGDWSA-N 2 2 263.385 2.524 10 0 CFAELP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000037490205 173231934 /nfs/dbraw/zinc/23/19/34/173231934.db2.gz UABVWMPVGUXICR-IKGGRYGDSA-N 2 2 276.424 2.573 10 0 CFAELP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000038028856 174018189 /nfs/dbraw/zinc/01/81/89/174018189.db2.gz RSSBVNLIYBXVMA-KURKYZTESA-N 3 2 295.515 2.961 10 0 CFAELP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000038028856 174018191 /nfs/dbraw/zinc/01/81/91/174018191.db2.gz RSSBVNLIYBXVMA-KURKYZTESA-N 3 2 295.515 2.961 10 0 CFAELP COc1cccc([C@H]([NH3+])C[N@H+](C)Cc2ccccc2)c1 ZINC000038137749 174133446 /nfs/dbraw/zinc/13/34/46/174133446.db2.gz VUFIQFHYERLEPK-QGZVFWFLSA-N 2 2 270.376 2.827 10 0 CFAELP COc1cccc([C@H]([NH3+])C[N@@H+](C)Cc2ccccc2)c1 ZINC000038137749 174133447 /nfs/dbraw/zinc/13/34/47/174133447.db2.gz VUFIQFHYERLEPK-QGZVFWFLSA-N 2 2 270.376 2.827 10 0 CFAELP COc1ccccc1[C@H]([NH3+])C[N@H+](C)Cc1ccccc1 ZINC000038137759 174133953 /nfs/dbraw/zinc/13/39/53/174133953.db2.gz BJWSFOUPHLLMRY-MRXNPFEDSA-N 2 2 270.376 2.827 10 0 CFAELP COc1ccccc1[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1 ZINC000038137759 174133955 /nfs/dbraw/zinc/13/39/55/174133955.db2.gz BJWSFOUPHLLMRY-MRXNPFEDSA-N 2 2 270.376 2.827 10 0 CFAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccccc1OC ZINC000038785086 174155371 /nfs/dbraw/zinc/15/53/71/174155371.db2.gz ICECDAFFCGOHJG-AWEZNQCLSA-N 2 2 250.386 2.817 10 0 CFAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccc(OC)cc1OC ZINC000038827643 174157202 /nfs/dbraw/zinc/15/72/02/174157202.db2.gz JJODTCTZKIHSFE-OAHLLOKOSA-N 2 2 280.412 2.826 10 0 CFAELP CCOc1cccc([C@H](C[NH3+])[NH+]2CCC(C)CC2)c1 ZINC000038970637 174160350 /nfs/dbraw/zinc/16/03/50/174160350.db2.gz PZTLLTSJEABJAB-INIZCTEOSA-N 2 2 262.397 2.817 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000039789160 174173507 /nfs/dbraw/zinc/17/35/07/174173507.db2.gz YJLQILLSWPJEAF-GUTXKFCHSA-N 2 2 292.423 2.967 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000039789160 174173509 /nfs/dbraw/zinc/17/35/09/174173509.db2.gz YJLQILLSWPJEAF-GUTXKFCHSA-N 2 2 292.423 2.967 10 0 CFAELP CCCOc1ccc([C@@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000039789140 174173589 /nfs/dbraw/zinc/17/35/89/174173589.db2.gz VRSDJMMRDPTMKM-MRXNPFEDSA-N 2 2 262.397 2.961 10 0 CFAELP Cc1cc(C)c(C[NH3+])c(N(C)Cc2ccccc2F)[nH+]1 ZINC000040509466 174303300 /nfs/dbraw/zinc/30/33/00/174303300.db2.gz MZJZIYKJOPWXSI-UHFFFAOYSA-N 2 2 273.355 2.933 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+]Cc1cccc2ccccc21 ZINC000040638510 174363238 /nfs/dbraw/zinc/36/32/38/174363238.db2.gz QYGYPFYSFCFMKB-UHFFFAOYSA-N 2 2 265.360 2.906 10 0 CFAELP CC(C)c1ccc(C[NH2+]CCc2[nH+]ccn2C)cc1 ZINC000040638643 174363359 /nfs/dbraw/zinc/36/33/59/174363359.db2.gz CDOBKVVQJBXLPC-UHFFFAOYSA-N 2 2 257.381 2.876 10 0 CFAELP c1coc(CC[NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000040671405 174369250 /nfs/dbraw/zinc/36/92/50/174369250.db2.gz VAYKLRBXWAPZMQ-QGZVFWFLSA-N 2 2 284.403 2.729 10 0 CFAELP c1coc(CC[NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000040671405 174369251 /nfs/dbraw/zinc/36/92/51/174369251.db2.gz VAYKLRBXWAPZMQ-QGZVFWFLSA-N 2 2 284.403 2.729 10 0 CFAELP COc1ccc(C2CC([NH2+][C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000040672787 174371377 /nfs/dbraw/zinc/37/13/77/174371377.db2.gz SKAKJWGXKZWZMY-PCKAHOCUSA-N 2 2 274.408 2.625 10 0 CFAELP COc1ccc(C2CC([NH2+][C@H]3CCC[N@@H+](C)C3)C2)cc1 ZINC000040672787 174371378 /nfs/dbraw/zinc/37/13/78/174371378.db2.gz SKAKJWGXKZWZMY-PCKAHOCUSA-N 2 2 274.408 2.625 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Br)c1 ZINC000040749248 174393499 /nfs/dbraw/zinc/39/34/99/174393499.db2.gz ZQKABWHXQUPSTE-AGUYFDCRSA-N 2 2 295.224 2.903 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Br)c1 ZINC000040749248 174393501 /nfs/dbraw/zinc/39/35/01/174393501.db2.gz ZQKABWHXQUPSTE-AGUYFDCRSA-N 2 2 295.224 2.903 10 0 CFAELP C[C@@H](c1c(F)cccc1F)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749310 174393752 /nfs/dbraw/zinc/39/37/52/174393752.db2.gz HYOBPTDQUVUBNP-YEJSDXFRSA-N 2 2 266.335 2.980 10 0 CFAELP C[C@@H](c1c(F)cccc1F)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749310 174393754 /nfs/dbraw/zinc/39/37/54/174393754.db2.gz HYOBPTDQUVUBNP-YEJSDXFRSA-N 2 2 266.335 2.980 10 0 CFAELP CC[NH+]1CCC([C@H](C)[NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000040767736 174398354 /nfs/dbraw/zinc/39/83/54/174398354.db2.gz YAHZZLYMQLQKAZ-INIZCTEOSA-N 3 2 281.488 2.572 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336394 175012670 /nfs/dbraw/zinc/01/26/70/175012670.db2.gz QWVATBKBRRUJPI-BMIGLBTASA-N 2 2 255.321 2.874 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@@H](c1ccco1)[C@H](C)[NH3+] ZINC000043336395 175012738 /nfs/dbraw/zinc/01/27/38/175012738.db2.gz QWVATBKBRRUJPI-ZUZCIYMTSA-N 2 2 255.321 2.874 10 0 CFAELP Cc1[nH+]c2ccccc2n1[C@@H](c1ccccn1)[C@H](C)[NH3+] ZINC000043341354 175015528 /nfs/dbraw/zinc/01/55/28/175015528.db2.gz HUMJRPTUHSEWAS-MEDUHNTESA-N 2 2 266.348 2.676 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@H+](CC(C)C)C1CC1 ZINC000043348387 175018561 /nfs/dbraw/zinc/01/85/61/175018561.db2.gz UXLVTCDPYXHEIK-HOTGVXAUSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+](CC(C)C)C1CC1 ZINC000043348387 175018563 /nfs/dbraw/zinc/01/85/63/175018563.db2.gz UXLVTCDPYXHEIK-HOTGVXAUSA-N 2 2 261.413 2.980 10 0 CFAELP Cc1cc2[nH+]cn([C@H](c3ccncc3)[C@@H](C)[NH3+])c2cc1C ZINC000043354930 175023134 /nfs/dbraw/zinc/02/31/34/175023134.db2.gz WPDRSDHGEHQCHB-DYVFJYSZSA-N 2 2 280.375 2.985 10 0 CFAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@H+](CCO)C2CCCCC2)o1 ZINC000043365191 175026227 /nfs/dbraw/zinc/02/62/27/175026227.db2.gz SDCWMOUTEISNBD-CJNGLKHVSA-N 2 2 280.412 2.603 10 0 CFAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+](CCO)C2CCCCC2)o1 ZINC000043365191 175026229 /nfs/dbraw/zinc/02/62/29/175026229.db2.gz SDCWMOUTEISNBD-CJNGLKHVSA-N 2 2 280.412 2.603 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC000043391274 175034425 /nfs/dbraw/zinc/03/44/25/175034425.db2.gz BMAOYJKQZGBSNJ-YOGCLGLASA-N 2 2 268.763 2.933 10 0 CFAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC000043391274 175034426 /nfs/dbraw/zinc/03/44/26/175034426.db2.gz BMAOYJKQZGBSNJ-YOGCLGLASA-N 2 2 268.763 2.933 10 0 CFAELP Cc1cc(C)cc([C@H](C[NH3+])[N@H+](C)CCc2ccccn2)c1 ZINC000043393940 175035161 /nfs/dbraw/zinc/03/51/61/175035161.db2.gz FCVVBNNUYDXKFH-SFHVURJKSA-N 2 2 283.419 2.873 10 0 CFAELP Cc1cc(C)cc([C@H](C[NH3+])[N@@H+](C)CCc2ccccn2)c1 ZINC000043393940 175035163 /nfs/dbraw/zinc/03/51/63/175035163.db2.gz FCVVBNNUYDXKFH-SFHVURJKSA-N 2 2 283.419 2.873 10 0 CFAELP Oc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Cl ZINC000043479892 175055934 /nfs/dbraw/zinc/05/59/34/175055934.db2.gz ZTRRJCUXTPWHNR-UHFFFAOYSA-N 2 2 280.799 2.762 10 0 CFAELP C[C@H](Cc1ccco1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000043596233 175076699 /nfs/dbraw/zinc/07/66/99/175076699.db2.gz OHEJQIADMYLECS-CXAGYDPISA-N 2 2 270.376 2.687 10 0 CFAELP CCC[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1OC ZINC000043807612 175109174 /nfs/dbraw/zinc/10/91/74/175109174.db2.gz MWORFMHAWYVCBY-HNNXBMFYSA-N 2 2 262.397 2.832 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811601 175110697 /nfs/dbraw/zinc/11/06/97/175110697.db2.gz NBRSXYLPXUTFTC-RBZJEDDUSA-N 2 2 268.445 2.652 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811601 175110699 /nfs/dbraw/zinc/11/06/99/175110699.db2.gz NBRSXYLPXUTFTC-RBZJEDDUSA-N 2 2 268.445 2.652 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811611 175110713 /nfs/dbraw/zinc/11/07/13/175110713.db2.gz YHQVXZXMSQHUIN-QKPAOTATSA-N 2 2 268.445 2.797 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811611 175110714 /nfs/dbraw/zinc/11/07/14/175110714.db2.gz YHQVXZXMSQHUIN-QKPAOTATSA-N 2 2 268.445 2.797 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811496 175111175 /nfs/dbraw/zinc/11/11/75/175111175.db2.gz JRMKVJQWPMGNHO-XUWVNRHRSA-N 2 2 268.445 2.797 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811496 175111177 /nfs/dbraw/zinc/11/11/77/175111177.db2.gz JRMKVJQWPMGNHO-XUWVNRHRSA-N 2 2 268.445 2.797 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811541 175111195 /nfs/dbraw/zinc/11/11/95/175111195.db2.gz MXRORIQMXXYMHB-LJISPDSOSA-N 2 2 256.434 2.652 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811541 175111197 /nfs/dbraw/zinc/11/11/97/175111197.db2.gz MXRORIQMXXYMHB-LJISPDSOSA-N 2 2 256.434 2.652 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811493 175111204 /nfs/dbraw/zinc/11/12/04/175111204.db2.gz JRMKVJQWPMGNHO-QXSJWSMHSA-N 2 2 268.445 2.797 10 0 CFAELP CC[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811493 175111205 /nfs/dbraw/zinc/11/12/05/175111205.db2.gz JRMKVJQWPMGNHO-QXSJWSMHSA-N 2 2 268.445 2.797 10 0 CFAELP CCC[NH2+][C@@H](CC)[C@@H](C)[N@H+](C)CCc1ccccn1 ZINC000043818916 175114132 /nfs/dbraw/zinc/11/41/32/175114132.db2.gz JWQHBIUTZTWRED-ZBFHGGJFSA-N 2 2 263.429 2.723 10 0 CFAELP CCC[NH2+][C@@H](CC)[C@@H](C)[N@@H+](C)CCc1ccccn1 ZINC000043818916 175114133 /nfs/dbraw/zinc/11/41/33/175114133.db2.gz JWQHBIUTZTWRED-ZBFHGGJFSA-N 2 2 263.429 2.723 10 0 CFAELP CCCC[NH+](CCCC)[C@H]1CC2(CC[C@H]1[NH2+]C)OCCO2 ZINC000043819463 175114182 /nfs/dbraw/zinc/11/41/82/175114182.db2.gz PPXTVPFDYSJHTG-CVEARBPZSA-N 2 2 298.471 2.772 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](CC)C1CCCC1)OCCO2 ZINC000043890749 175118304 /nfs/dbraw/zinc/11/83/04/175118304.db2.gz SUDRJQGVCJNQRX-JKSUJKDBSA-N 2 2 296.455 2.525 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](CC)C1CCCC1)OCCO2 ZINC000043890749 175118306 /nfs/dbraw/zinc/11/83/06/175118306.db2.gz SUDRJQGVCJNQRX-JKSUJKDBSA-N 2 2 296.455 2.525 10 0 CFAELP CC[C@H]1C[N@H+](Cc2cc([C@@H](C)[NH2+]C)ccc2OC)CCO1 ZINC000043892982 175118527 /nfs/dbraw/zinc/11/85/27/175118527.db2.gz GNZGOSASMIGBCN-CJNGLKHVSA-N 2 2 292.423 2.586 10 0 CFAELP CC[C@H]1C[N@@H+](Cc2cc([C@@H](C)[NH2+]C)ccc2OC)CCO1 ZINC000043892982 175118528 /nfs/dbraw/zinc/11/85/28/175118528.db2.gz GNZGOSASMIGBCN-CJNGLKHVSA-N 2 2 292.423 2.586 10 0 CFAELP CC[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000043891673 175118699 /nfs/dbraw/zinc/11/86/99/175118699.db2.gz IGLQKOXHQKBYIK-UONOGXRCSA-N 2 2 292.423 2.586 10 0 CFAELP CC[NH2+][C@H](C)c1ccc(OC)c(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000043891673 175118701 /nfs/dbraw/zinc/11/87/01/175118701.db2.gz IGLQKOXHQKBYIK-UONOGXRCSA-N 2 2 292.423 2.586 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@H+](C)Cc1ccncc1 ZINC000043894052 175119046 /nfs/dbraw/zinc/11/90/46/175119046.db2.gz AXZOIQCLRIXMAT-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](C)Cc1ccncc1 ZINC000043894052 175119048 /nfs/dbraw/zinc/11/90/48/175119048.db2.gz AXZOIQCLRIXMAT-HOTGVXAUSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897987 175120596 /nfs/dbraw/zinc/12/05/96/175120596.db2.gz KJAWTULJNBPXRQ-KFWWJZLASA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897987 175120598 /nfs/dbraw/zinc/12/05/98/175120598.db2.gz KJAWTULJNBPXRQ-KFWWJZLASA-N 2 2 268.445 2.654 10 0 CFAELP C[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897649 175120686 /nfs/dbraw/zinc/12/06/86/175120686.db2.gz ZBHXKYQAFVLQPV-ILXRZTDVSA-N 2 2 282.472 2.900 10 0 CFAELP C[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897649 175120688 /nfs/dbraw/zinc/12/06/88/175120688.db2.gz ZBHXKYQAFVLQPV-ILXRZTDVSA-N 2 2 282.472 2.900 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@@H+]1CCOC(C)(C)C1 ZINC000043897905 175120716 /nfs/dbraw/zinc/12/07/16/175120716.db2.gz QIYKWDLHBMWOKP-UONOGXRCSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@H+]1CCOC(C)(C)C1 ZINC000043897905 175120718 /nfs/dbraw/zinc/12/07/18/175120718.db2.gz QIYKWDLHBMWOKP-UONOGXRCSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898601 175121391 /nfs/dbraw/zinc/12/13/91/175121391.db2.gz IJZAZFDNZKSJLE-BMFZPTHFSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898601 175121392 /nfs/dbraw/zinc/12/13/92/175121392.db2.gz IJZAZFDNZKSJLE-BMFZPTHFSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+]1CCOC[C@@H]1CC ZINC000043899334 175121795 /nfs/dbraw/zinc/12/17/95/175121795.db2.gz CWWYHXUEPQJPDK-VGWMRTNUSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+]1CCOC[C@@H]1CC ZINC000043899334 175121796 /nfs/dbraw/zinc/12/17/96/175121796.db2.gz CWWYHXUEPQJPDK-VGWMRTNUSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@@H]1[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900105 175121892 /nfs/dbraw/zinc/12/18/92/175121892.db2.gz BNVMOIUSFHANKI-YVSFHVDLSA-N 2 2 280.456 2.656 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@@H]1[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900105 175121894 /nfs/dbraw/zinc/12/18/94/175121894.db2.gz BNVMOIUSFHANKI-YVSFHVDLSA-N 2 2 280.456 2.656 10 0 CFAELP CCC[NH2+][C@@H](C[N@@H+]1CCC[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000043903709 175122734 /nfs/dbraw/zinc/12/27/34/175122734.db2.gz SQFUCRMAYKGMIB-ZFWWWQNUSA-N 2 2 290.407 2.940 10 0 CFAELP CCC[NH2+][C@@H](C[N@H+]1CCC[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000043903709 175122735 /nfs/dbraw/zinc/12/27/35/175122735.db2.gz SQFUCRMAYKGMIB-ZFWWWQNUSA-N 2 2 290.407 2.940 10 0 CFAELP CC[NH2+][C@@H](C)[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911655 175123710 /nfs/dbraw/zinc/12/37/10/175123710.db2.gz WJOQGHIBJMXVOS-QWHCGFSZSA-N 2 2 250.386 2.514 10 0 CFAELP CC[NH2+][C@@H](C)[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911655 175123711 /nfs/dbraw/zinc/12/37/11/175123711.db2.gz WJOQGHIBJMXVOS-QWHCGFSZSA-N 2 2 250.386 2.514 10 0 CFAELP CC[C@H]1CO[C@H](C)C[N@@H+]1[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043913737 175124621 /nfs/dbraw/zinc/12/46/21/175124621.db2.gz IGWTUCHHBVFKSE-FXUDXRNXSA-N 2 2 268.445 2.797 10 0 CFAELP CC[C@H]1CO[C@H](C)C[N@H+]1[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043913737 175124623 /nfs/dbraw/zinc/12/46/23/175124623.db2.gz IGWTUCHHBVFKSE-FXUDXRNXSA-N 2 2 268.445 2.797 10 0 CFAELP CC[NH2+][C@H](c1ccc(C)cc1)[C@H](C)[N@H+](C)CCOC ZINC000043915964 175125259 /nfs/dbraw/zinc/12/52/59/175125259.db2.gz IOGJZSSPINNMDV-HOCLYGCPSA-N 2 2 264.413 2.612 10 0 CFAELP CC[NH2+][C@H](c1ccc(C)cc1)[C@H](C)[N@@H+](C)CCOC ZINC000043915964 175125260 /nfs/dbraw/zinc/12/52/60/175125260.db2.gz IOGJZSSPINNMDV-HOCLYGCPSA-N 2 2 264.413 2.612 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+]1CCOCC1(C)C ZINC000043916988 175125606 /nfs/dbraw/zinc/12/56/06/175125606.db2.gz CDAGSITXRGRWTN-GJZGRUSLSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@@H]1[N@H+]1CCOCC1(C)C ZINC000043916988 175125608 /nfs/dbraw/zinc/12/56/08/175125608.db2.gz CDAGSITXRGRWTN-GJZGRUSLSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+]1CCOCC1(C)C ZINC000043965337 175126724 /nfs/dbraw/zinc/12/67/24/175126724.db2.gz IHEXCEKABZFMNY-GJZGRUSLSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@@H]1[N@H+]1CCOCC1(C)C ZINC000043965337 175126726 /nfs/dbraw/zinc/12/67/26/175126726.db2.gz IHEXCEKABZFMNY-GJZGRUSLSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@H]1[N@H+](C)C1CCC(C)CC1 ZINC000043967051 175127808 /nfs/dbraw/zinc/12/78/08/175127808.db2.gz ZVIQRCGBMHZCST-QDIHITRGSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@H]1[N@@H+](C)C1CCC(C)CC1 ZINC000043967051 175127809 /nfs/dbraw/zinc/12/78/09/175127809.db2.gz ZVIQRCGBMHZCST-QDIHITRGSA-N 2 2 268.445 2.654 10 0 CFAELP CC[N@H+](C[C@H]([NH2+]C)c1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000043966748 175127919 /nfs/dbraw/zinc/12/79/19/175127919.db2.gz ZBXIIHQSUHDGPJ-IRXDYDNUSA-N 2 2 276.424 2.756 10 0 CFAELP CC[N@@H+](C[C@H]([NH2+]C)c1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000043966748 175127920 /nfs/dbraw/zinc/12/79/20/175127920.db2.gz ZBXIIHQSUHDGPJ-IRXDYDNUSA-N 2 2 276.424 2.756 10 0 CFAELP CC[N@H+](C[C@H]([NH2+]C)c1ccccc1C)C[C@@H]1CCCO1 ZINC000043966791 175128045 /nfs/dbraw/zinc/12/80/45/175128045.db2.gz LVUWFTXMFWSSOM-RDJZCZTQSA-N 2 2 276.424 2.756 10 0 CFAELP CC[N@@H+](C[C@H]([NH2+]C)c1ccccc1C)C[C@@H]1CCCO1 ZINC000043966791 175128046 /nfs/dbraw/zinc/12/80/46/175128046.db2.gz LVUWFTXMFWSSOM-RDJZCZTQSA-N 2 2 276.424 2.756 10 0 CFAELP C[NH2+][C@H](c1ccccc1)[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966346 175128176 /nfs/dbraw/zinc/12/81/76/175128176.db2.gz SOCYPVAOEVULQT-XIRDDKMYSA-N 2 2 276.424 2.837 10 0 CFAELP C[NH2+][C@H](c1ccccc1)[C@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966346 175128177 /nfs/dbraw/zinc/12/81/77/175128177.db2.gz SOCYPVAOEVULQT-XIRDDKMYSA-N 2 2 276.424 2.837 10 0 CFAELP CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)[N@H+](CC)CCOC ZINC000043968673 175129690 /nfs/dbraw/zinc/12/96/90/175129690.db2.gz CCNQHOPXLGMFLE-WMLDXEAASA-N 2 2 294.439 2.703 10 0 CFAELP CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)[N@@H+](CC)CCOC ZINC000043968673 175129691 /nfs/dbraw/zinc/12/96/91/175129691.db2.gz CCNQHOPXLGMFLE-WMLDXEAASA-N 2 2 294.439 2.703 10 0 CFAELP CC[N@H+](CCOC)C[C@@H]([NH2+]C)c1ccc(C)c(C)c1 ZINC000043968560 175129752 /nfs/dbraw/zinc/12/97/52/175129752.db2.gz QLELNFSTYUWJEK-MRXNPFEDSA-N 2 2 264.413 2.532 10 0 CFAELP CC[N@@H+](CCOC)C[C@@H]([NH2+]C)c1ccc(C)c(C)c1 ZINC000043968560 175129753 /nfs/dbraw/zinc/12/97/53/175129753.db2.gz QLELNFSTYUWJEK-MRXNPFEDSA-N 2 2 264.413 2.532 10 0 CFAELP CC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)[N@H+](CC)CCOC ZINC000043968671 175129796 /nfs/dbraw/zinc/12/97/96/175129796.db2.gz CCNQHOPXLGMFLE-RHSMWYFYSA-N 2 2 294.439 2.703 10 0 CFAELP CC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)[N@@H+](CC)CCOC ZINC000043968671 175129797 /nfs/dbraw/zinc/12/97/97/175129797.db2.gz CCNQHOPXLGMFLE-RHSMWYFYSA-N 2 2 294.439 2.703 10 0 CFAELP C[NH2+][C@@H]1c2ccccc2CCC[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043969589 175130222 /nfs/dbraw/zinc/13/02/22/175130222.db2.gz RQGPFJYZFMNJCW-ZWKOTPCHSA-N 2 2 288.435 2.763 10 0 CFAELP C[NH2+][C@@H]1c2ccccc2CCC[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043969589 175130223 /nfs/dbraw/zinc/13/02/23/175130223.db2.gz RQGPFJYZFMNJCW-ZWKOTPCHSA-N 2 2 288.435 2.763 10 0 CFAELP C[NH2+][C@@H](C[N@H+](C)[C@@H](C)COC)c1ccc(C)cc1C ZINC000043969090 175130656 /nfs/dbraw/zinc/13/06/56/175130656.db2.gz SUKYBOGJSLUQBC-HOCLYGCPSA-N 2 2 264.413 2.531 10 0 CFAELP C[NH2+][C@@H](C[N@@H+](C)[C@@H](C)COC)c1ccc(C)cc1C ZINC000043969090 175130657 /nfs/dbraw/zinc/13/06/57/175130657.db2.gz SUKYBOGJSLUQBC-HOCLYGCPSA-N 2 2 264.413 2.531 10 0 CFAELP CC[NH2+][C@@H](C[N@H+](C)[C@@H](C)COC)c1ccc(CC)cc1 ZINC000043969311 175130704 /nfs/dbraw/zinc/13/07/04/175130704.db2.gz RUADIDOAMBXXLN-YOEHRIQHSA-N 2 2 278.440 2.866 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+](C)[C@@H](C)COC)c1ccc(CC)cc1 ZINC000043969311 175130706 /nfs/dbraw/zinc/13/07/06/175130706.db2.gz RUADIDOAMBXXLN-YOEHRIQHSA-N 2 2 278.440 2.866 10 0 CFAELP C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)[N@H+](CCOC)C1CC1 ZINC000043969735 175131123 /nfs/dbraw/zinc/13/11/23/175131123.db2.gz QZNXXXVMFZUTOR-YOEHRIQHSA-N 2 2 276.424 2.755 10 0 CFAELP C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)[N@@H+](CCOC)C1CC1 ZINC000043969735 175131125 /nfs/dbraw/zinc/13/11/25/175131125.db2.gz QZNXXXVMFZUTOR-YOEHRIQHSA-N 2 2 276.424 2.755 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@H+](CCOC)C1CC1 ZINC000043969994 175131584 /nfs/dbraw/zinc/13/15/84/175131584.db2.gz PAIGRVLHFQYNTP-CABCVRRESA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@H](CC)[N@@H+](CCOC)C1CC1 ZINC000043969994 175131586 /nfs/dbraw/zinc/13/15/86/175131586.db2.gz PAIGRVLHFQYNTP-CABCVRRESA-N 2 2 256.434 2.654 10 0 CFAELP CC[N@H+](C[C@H]([NH2+]C)c1ccc(C)c(C)c1)[C@@H](C)COC ZINC000043981131 175134182 /nfs/dbraw/zinc/13/41/82/175134182.db2.gz TUIBQPNGGUFWOJ-RDJZCZTQSA-N 2 2 278.440 2.921 10 0 CFAELP CC[N@@H+](C[C@H]([NH2+]C)c1ccc(C)c(C)c1)[C@@H](C)COC ZINC000043981131 175134184 /nfs/dbraw/zinc/13/41/84/175134184.db2.gz TUIBQPNGGUFWOJ-RDJZCZTQSA-N 2 2 278.440 2.921 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@@H]1n1c(C)[nH+]c2ccccc21 ZINC000043996031 175136901 /nfs/dbraw/zinc/13/69/01/175136901.db2.gz MIELMQHJSHUYFF-CJNGLKHVSA-N 2 2 273.380 2.674 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@@H]1n1cc[nH+]c1-c1ccccc1 ZINC000044000259 175138176 /nfs/dbraw/zinc/13/81/76/175138176.db2.gz YRIGHPSZTIPRLB-HOTGVXAUSA-N 2 2 285.391 2.880 10 0 CFAELP CCc1ccc([C@@H](O)[C@@H](C)[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121472 175142737 /nfs/dbraw/zinc/14/27/37/175142737.db2.gz ZMSINLKXNASKPY-KDOFPFPSSA-N 2 2 290.451 2.697 10 0 CFAELP CCc1ccc([C@@H](O)[C@@H](C)[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121472 175142739 /nfs/dbraw/zinc/14/27/39/175142739.db2.gz ZMSINLKXNASKPY-KDOFPFPSSA-N 2 2 290.451 2.697 10 0 CFAELP CC(C)[C@H]([C@H](O)c1ccccc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC000044121147 175142960 /nfs/dbraw/zinc/14/29/60/175142960.db2.gz YGXZPORSFDTYNV-QZTJIDSGSA-N 2 2 290.451 2.771 10 0 CFAELP CC(C)[C@H]([C@H](O)c1ccccc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000044121147 175142961 /nfs/dbraw/zinc/14/29/61/175142961.db2.gz YGXZPORSFDTYNV-QZTJIDSGSA-N 2 2 290.451 2.771 10 0 CFAELP [NH3+]CC1CC[NH+](Cc2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000044513813 175189317 /nfs/dbraw/zinc/18/93/17/175189317.db2.gz CEZDCLGXIMAMTC-UHFFFAOYSA-N 2 2 294.267 2.553 10 0 CFAELP CCCOc1ccc(OCC[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000044558839 175203598 /nfs/dbraw/zinc/20/35/98/175203598.db2.gz ZXYQCEQCBRRPJQ-HNNXBMFYSA-N 2 2 292.423 2.667 10 0 CFAELP CCCOc1ccc(OCC[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000044558839 175203599 /nfs/dbraw/zinc/20/35/99/175203599.db2.gz ZXYQCEQCBRRPJQ-HNNXBMFYSA-N 2 2 292.423 2.667 10 0 CFAELP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C)cc1 ZINC000044561441 175205011 /nfs/dbraw/zinc/20/50/11/175205011.db2.gz SAMVZNYASKCRSU-GOEBONIOSA-N 2 2 276.424 2.700 10 0 CFAELP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C)cc1 ZINC000044561441 175205013 /nfs/dbraw/zinc/20/50/13/175205013.db2.gz SAMVZNYASKCRSU-GOEBONIOSA-N 2 2 276.424 2.700 10 0 CFAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C)c1ccc2c(c1)CCO2 ZINC000044560939 175205279 /nfs/dbraw/zinc/20/52/79/175205279.db2.gz FTCZZRQXQMYIHH-BBRMVZONSA-N 2 2 274.408 2.756 10 0 CFAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C)c1ccc2c(c1)CCO2 ZINC000044560939 175205280 /nfs/dbraw/zinc/20/52/80/175205280.db2.gz FTCZZRQXQMYIHH-BBRMVZONSA-N 2 2 274.408 2.756 10 0 CFAELP CC(C)c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2C)cc1 ZINC000044562345 175205864 /nfs/dbraw/zinc/20/58/64/175205864.db2.gz OPZJBAZXSCWSES-MSOLQXFVSA-N 2 2 290.451 2.917 10 0 CFAELP CC(C)c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2C)cc1 ZINC000044562345 175205866 /nfs/dbraw/zinc/20/58/66/175205866.db2.gz OPZJBAZXSCWSES-MSOLQXFVSA-N 2 2 290.451 2.917 10 0 CFAELP Cc1nc(C[N@H+](C)C[C@@H](C[NH3+])c2ccccc2)cs1 ZINC000044608665 175216142 /nfs/dbraw/zinc/21/61/42/175216142.db2.gz QBHGYCMPZLBVFH-CQSZACIVSA-N 2 2 275.421 2.626 10 0 CFAELP Cc1nc(C[N@@H+](C)C[C@@H](C[NH3+])c2ccccc2)cs1 ZINC000044608665 175216143 /nfs/dbraw/zinc/21/61/43/175216143.db2.gz QBHGYCMPZLBVFH-CQSZACIVSA-N 2 2 275.421 2.626 10 0 CFAELP c1ccc([C@H]2C[NH+]=C(N[C@H]3CC[N@@H+](C4CC4)C3)S2)cc1 ZINC000044726608 175238409 /nfs/dbraw/zinc/23/84/09/175238409.db2.gz STXKYCXZMBDYOX-DZGCQCFKSA-N 2 2 287.432 2.657 10 0 CFAELP c1ccc([C@H]2C[NH+]=C(N[C@H]3CC[N@H+](C4CC4)C3)S2)cc1 ZINC000044726608 175238410 /nfs/dbraw/zinc/23/84/10/175238410.db2.gz STXKYCXZMBDYOX-DZGCQCFKSA-N 2 2 287.432 2.657 10 0 CFAELP C[N@H+](CC(C)(C)C)[C@@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000045070043 175300642 /nfs/dbraw/zinc/30/06/42/175300642.db2.gz GRBBCGZGZOUOBP-AWEZNQCLSA-N 2 2 292.423 2.826 10 0 CFAELP C[N@@H+](CC(C)(C)C)[C@@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000045070043 175300643 /nfs/dbraw/zinc/30/06/43/175300643.db2.gz GRBBCGZGZOUOBP-AWEZNQCLSA-N 2 2 292.423 2.826 10 0 CFAELP C[N@H+](CC(C)(C)C)[C@@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000045070278 175300850 /nfs/dbraw/zinc/30/08/50/175300850.db2.gz XLCSKZYVIOVJKY-INIZCTEOSA-N 2 2 286.423 2.850 10 0 CFAELP C[N@@H+](CC(C)(C)C)[C@@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000045070278 175300852 /nfs/dbraw/zinc/30/08/52/175300852.db2.gz XLCSKZYVIOVJKY-INIZCTEOSA-N 2 2 286.423 2.850 10 0 CFAELP CC1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000045117948 175311343 /nfs/dbraw/zinc/31/13/43/175311343.db2.gz CTGYPGHHXGSZAO-HZPDHXFCSA-N 2 2 258.409 2.692 10 0 CFAELP CC1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000045117948 175311344 /nfs/dbraw/zinc/31/13/44/175311344.db2.gz CTGYPGHHXGSZAO-HZPDHXFCSA-N 2 2 258.409 2.692 10 0 CFAELP CCC[NH2+][C@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367811 175363048 /nfs/dbraw/zinc/36/30/48/175363048.db2.gz SJHTXDCXZSKVLM-DOTOQJQBSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@](C)(CCCC[N@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367811 175363049 /nfs/dbraw/zinc/36/30/49/175363049.db2.gz SJHTXDCXZSKVLM-DOTOQJQBSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367941 175363327 /nfs/dbraw/zinc/36/33/27/175363327.db2.gz OKRIKSLPQNHEES-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[N@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367941 175363329 /nfs/dbraw/zinc/36/33/29/175363329.db2.gz OKRIKSLPQNHEES-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@@](C)(CCCC[NH+]1CCCCCCC1)[NH2+]C ZINC000045371422 175364290 /nfs/dbraw/zinc/36/42/90/175364290.db2.gz RYIAYIIEDUUWMD-QGZVFWFLSA-N 2 2 298.471 2.964 10 0 CFAELP CCCC[N@H+](CC)CCC[C@@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045370786 175364418 /nfs/dbraw/zinc/36/44/18/175364418.db2.gz LSQCPFCSEUCTMJ-QGZVFWFLSA-N 2 2 298.471 2.962 10 0 CFAELP CCCC[N@@H+](CC)CCC[C@@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045370786 175364420 /nfs/dbraw/zinc/36/44/20/175364420.db2.gz LSQCPFCSEUCTMJ-QGZVFWFLSA-N 2 2 298.471 2.962 10 0 CFAELP CC[NH2+][C@](C)(CCC[NH+]1CCCCCCC1)C(=O)OCC ZINC000045371604 175364432 /nfs/dbraw/zinc/36/44/32/175364432.db2.gz ULBNGQJLOSTMKD-QGZVFWFLSA-N 2 2 298.471 2.964 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373346 175364760 /nfs/dbraw/zinc/36/47/60/175364760.db2.gz CBMWHQMIHFBJDS-UXLLHSPISA-N 2 2 298.471 2.676 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373346 175364761 /nfs/dbraw/zinc/36/47/61/175364761.db2.gz CBMWHQMIHFBJDS-UXLLHSPISA-N 2 2 298.471 2.676 10 0 CFAELP CC[NH2+][C@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045376149 175366551 /nfs/dbraw/zinc/36/65/51/175366551.db2.gz JOJRZMKFOLSTAX-GOEBONIOSA-N 2 2 284.444 2.572 10 0 CFAELP CC[NH2+][C@](C)(CCC[N@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045376149 175366552 /nfs/dbraw/zinc/36/65/52/175366552.db2.gz JOJRZMKFOLSTAX-GOEBONIOSA-N 2 2 284.444 2.572 10 0 CFAELP CC[NH2+][C@@](C)(CCC[N@H+](CC)c1ccccc1)C(=O)OC ZINC000045379939 175369156 /nfs/dbraw/zinc/36/91/56/175369156.db2.gz DJICTWAQJMZEAQ-KRWDZBQOSA-N 2 2 292.423 2.834 10 0 CFAELP CC[NH2+][C@@](C)(CCC[N@@H+](CC)c1ccccc1)C(=O)OC ZINC000045379939 175369157 /nfs/dbraw/zinc/36/91/57/175369157.db2.gz DJICTWAQJMZEAQ-KRWDZBQOSA-N 2 2 292.423 2.834 10 0 CFAELP CC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)c1ccccc1 ZINC000045379951 175369472 /nfs/dbraw/zinc/36/94/72/175369472.db2.gz PNUTTWRYSMAFOO-KRWDZBQOSA-N 2 2 291.439 2.535 10 0 CFAELP CC[N@@H+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)c1ccccc1 ZINC000045379951 175369474 /nfs/dbraw/zinc/36/94/74/175369474.db2.gz PNUTTWRYSMAFOO-KRWDZBQOSA-N 2 2 291.439 2.535 10 0 CFAELP CCC(CC)[N@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000045391499 175374567 /nfs/dbraw/zinc/37/45/67/175374567.db2.gz JQEKEAHRRIJRPV-QGZVFWFLSA-N 2 2 298.471 2.961 10 0 CFAELP CCC(CC)[N@@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000045391499 175374568 /nfs/dbraw/zinc/37/45/68/175374568.db2.gz JQEKEAHRRIJRPV-QGZVFWFLSA-N 2 2 298.471 2.961 10 0 CFAELP Cn1cc[nH+]c1Cn1c2ccc(N)cc2[nH+]c1C(C)(C)C ZINC000071275915 176106688 /nfs/dbraw/zinc/10/66/88/176106688.db2.gz ORMFLIWBCTWXPK-UHFFFAOYSA-N 2 2 283.379 2.698 10 0 CFAELP CCC[N@H+](Cc1cc(C)c(O)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000071314587 176121252 /nfs/dbraw/zinc/12/12/52/176121252.db2.gz ZUWQCXSSKLFVTJ-HNNXBMFYSA-N 2 2 262.397 2.583 10 0 CFAELP CCC[N@@H+](Cc1cc(C)c(O)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000071314587 176121253 /nfs/dbraw/zinc/12/12/53/176121253.db2.gz ZUWQCXSSKLFVTJ-HNNXBMFYSA-N 2 2 262.397 2.583 10 0 CFAELP CCC[N@H+](Cc1cc(C)c(O)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000071314586 176121330 /nfs/dbraw/zinc/12/13/30/176121330.db2.gz ZUWQCXSSKLFVTJ-OAHLLOKOSA-N 2 2 262.397 2.583 10 0 CFAELP CCC[N@@H+](Cc1cc(C)c(O)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000071314586 176121332 /nfs/dbraw/zinc/12/13/32/176121332.db2.gz ZUWQCXSSKLFVTJ-OAHLLOKOSA-N 2 2 262.397 2.583 10 0 CFAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1c[nH+]ccc1C ZINC000071414326 176159632 /nfs/dbraw/zinc/15/96/32/176159632.db2.gz AOJWJHIAALYYHU-GOOCMWNKSA-N 2 2 259.397 2.889 10 0 CFAELP Cc1cc[nH+]c(N[C@H](CC[NH3+])C(F)F)c1Br ZINC000394776813 270309726 /nfs/dbraw/zinc/30/97/26/270309726.db2.gz IFDKIHCXSOBQRR-SSDOTTSWSA-N 2 2 294.143 2.547 10 0 CFAELP C[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)[C@@H](C[NH3+])C1 ZINC000235362568 274303220 /nfs/dbraw/zinc/30/32/20/274303220.db2.gz UXODZDSAUWRLHW-CZUORRHYSA-N 2 2 269.392 2.794 10 0 CFAELP C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3n2)[C@@H](C[NH3+])C1 ZINC000235362568 274303221 /nfs/dbraw/zinc/30/32/21/274303221.db2.gz UXODZDSAUWRLHW-CZUORRHYSA-N 2 2 269.392 2.794 10 0 CFAELP CC(C)c1[nH+]c2c(n1C)CCN(c1cccc[nH+]1)C2 ZINC000108952613 278076271 /nfs/dbraw/zinc/07/62/71/278076271.db2.gz NBYSEISUEMUSSB-UHFFFAOYSA-N 2 2 256.353 2.501 10 0 CFAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccc(F)c(F)c1 ZINC000396683291 281196953 /nfs/dbraw/zinc/19/69/53/281196953.db2.gz WFYQSGYJQQUGCZ-IMSIIYSGSA-N 2 2 254.324 2.756 10 0 CFAELP CC(C)[C@@H]1C[N@H+](CCCc2ccccc2)CCC[NH2+]1 ZINC000062657629 519804245 /nfs/dbraw/zinc/80/42/45/519804245.db2.gz HGCUOCDRXQSEIL-KRWDZBQOSA-N 2 2 260.425 2.939 10 0 CFAELP CC(C)[C@@H]1C[N@@H+](CCCc2ccccc2)CCC[NH2+]1 ZINC000062657629 519804246 /nfs/dbraw/zinc/80/42/46/519804246.db2.gz HGCUOCDRXQSEIL-KRWDZBQOSA-N 2 2 260.425 2.939 10 0 CFAELP CCCC[C@@](CC)(C[NH3+])[N@H+](C)CC1CC[NH+](C)CC1 ZINC000069381122 521121917 /nfs/dbraw/zinc/12/19/17/521121917.db2.gz GPYHTFUXCBSSIJ-INIZCTEOSA-N 3 2 269.477 2.558 10 0 CFAELP CCCC[C@@](CC)(C[NH3+])[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000069381122 521121923 /nfs/dbraw/zinc/12/19/23/521121923.db2.gz GPYHTFUXCBSSIJ-INIZCTEOSA-N 3 2 269.477 2.558 10 0 CFAELP CC[N@H+](CCOC)[C@@H](C[NH3+])c1csc2ccccc12 ZINC000054464400 521138767 /nfs/dbraw/zinc/13/87/67/521138767.db2.gz MRSQRBUVSSESII-AWEZNQCLSA-N 2 2 278.421 2.869 10 0 CFAELP CC[N@@H+](CCOC)[C@@H](C[NH3+])c1csc2ccccc12 ZINC000054464400 521138773 /nfs/dbraw/zinc/13/87/73/521138773.db2.gz MRSQRBUVSSESII-AWEZNQCLSA-N 2 2 278.421 2.869 10 0 CFAELP CCC(C)(C)[N@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000069443306 521300235 /nfs/dbraw/zinc/30/02/35/521300235.db2.gz QJZSXVRUMCUYSI-QGZVFWFLSA-N 2 2 298.471 2.961 10 0 CFAELP CCC(C)(C)[N@@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000069443306 521300244 /nfs/dbraw/zinc/30/02/44/521300244.db2.gz QJZSXVRUMCUYSI-QGZVFWFLSA-N 2 2 298.471 2.961 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2OC)C1 ZINC000328327850 521721562 /nfs/dbraw/zinc/72/15/62/521721562.db2.gz GRAANRMEQBEIMI-KGLIPLIRSA-N 2 2 262.397 2.748 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2OC)C1 ZINC000328327850 521721564 /nfs/dbraw/zinc/72/15/64/521721564.db2.gz GRAANRMEQBEIMI-KGLIPLIRSA-N 2 2 262.397 2.748 10 0 CFAELP CC(C)[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418229 519722031 /nfs/dbraw/zinc/72/20/31/519722031.db2.gz NFIKUTRHCHWXLI-OAHLLOKOSA-N 2 2 293.430 2.724 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+]CCCOc1ccccc1 ZINC000061815736 519814454 /nfs/dbraw/zinc/81/44/54/519814454.db2.gz QELGJWJVPYTGNM-INIZCTEOSA-N 2 2 264.413 2.631 10 0 CFAELP CCCC1CC[NH+]([C@@H](C[NH3+])c2ccc3c(c2)OCO3)CC1 ZINC000050893299 519902797 /nfs/dbraw/zinc/90/27/97/519902797.db2.gz RQOVLZJKSJRQBX-HNNXBMFYSA-N 2 2 290.407 2.927 10 0 CFAELP CC[NH2+]C[C@@H](C(C)C)[N@H+](C)Cc1ccc(F)cc1 ZINC000052346087 519930295 /nfs/dbraw/zinc/93/02/95/519930295.db2.gz LKQBPMNNFFLSOO-HNNXBMFYSA-N 2 2 252.377 2.892 10 0 CFAELP CC[NH2+]C[C@@H](C(C)C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346087 519930297 /nfs/dbraw/zinc/93/02/97/519930297.db2.gz LKQBPMNNFFLSOO-HNNXBMFYSA-N 2 2 252.377 2.892 10 0 CFAELP CC[NH2+]Cc1ccccc1C[N@H+](C)Cc1cscn1 ZINC000052503904 520005604 /nfs/dbraw/zinc/00/56/04/520005604.db2.gz VXDNKJXMDMXYFM-UHFFFAOYSA-N 2 2 275.421 2.885 10 0 CFAELP CC[NH2+]Cc1ccccc1C[N@@H+](C)Cc1cscn1 ZINC000052503904 520005610 /nfs/dbraw/zinc/00/56/10/520005610.db2.gz VXDNKJXMDMXYFM-UHFFFAOYSA-N 2 2 275.421 2.885 10 0 CFAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc2c(c1)CCO2 ZINC000050892169 520016536 /nfs/dbraw/zinc/01/65/36/520016536.db2.gz GQWPRMBUATWKHG-AWEZNQCLSA-N 2 2 271.364 2.628 10 0 CFAELP CC[NH2+]Cc1occc1C[NH+]1Cc2ccccc2C1 ZINC000052374365 520029630 /nfs/dbraw/zinc/02/96/30/520029630.db2.gz CAFYCUJDKCTUGA-UHFFFAOYSA-N 2 2 256.349 2.905 10 0 CFAELP CC[N@H+](CC1CC1)[C@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000069237313 520968009 /nfs/dbraw/zinc/96/80/09/520968009.db2.gz KATWIRDYVWNQMF-CYBMUJFWSA-N 2 2 296.798 2.800 10 0 CFAELP CC[N@@H+](CC1CC1)[C@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000069237313 520968017 /nfs/dbraw/zinc/96/80/17/520968017.db2.gz KATWIRDYVWNQMF-CYBMUJFWSA-N 2 2 296.798 2.800 10 0 CFAELP CCOc1ccc(OCC[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc1 ZINC000078505397 521172660 /nfs/dbraw/zinc/17/26/60/521172660.db2.gz FUPGAYCQAFPEAI-PBHICJAKSA-N 2 2 292.423 2.523 10 0 CFAELP CCOc1ccc(OCC[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc1 ZINC000078505397 521172665 /nfs/dbraw/zinc/17/26/65/521172665.db2.gz FUPGAYCQAFPEAI-PBHICJAKSA-N 2 2 292.423 2.523 10 0 CFAELP CC[N@H+](C[C@H]1CCCO1)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546308 521269287 /nfs/dbraw/zinc/26/92/87/521269287.db2.gz OTUKHUQFMKCFIP-ZBFHGGJFSA-N 2 2 280.387 2.635 10 0 CFAELP CC[N@@H+](C[C@H]1CCCO1)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546308 521269292 /nfs/dbraw/zinc/26/92/92/521269292.db2.gz OTUKHUQFMKCFIP-ZBFHGGJFSA-N 2 2 280.387 2.635 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@H](C[NH3+])c1cccc(OC)c1OC ZINC000069429920 521309638 /nfs/dbraw/zinc/30/96/38/521309638.db2.gz GKEKFFXKUVGHEV-CYBMUJFWSA-N 2 2 280.412 2.824 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@H](C[NH3+])c1cccc(OC)c1OC ZINC000069429920 521309641 /nfs/dbraw/zinc/30/96/41/521309641.db2.gz GKEKFFXKUVGHEV-CYBMUJFWSA-N 2 2 280.412 2.824 10 0 CFAELP CC[N@H+](Cc1ccc(F)cc1F)[C@@](C)(CC)C[NH3+] ZINC000050872220 521316362 /nfs/dbraw/zinc/31/63/62/521316362.db2.gz LKDKZHNADSDSJY-AWEZNQCLSA-N 2 2 256.340 2.914 10 0 CFAELP CC[N@@H+](Cc1ccc(F)cc1F)[C@@](C)(CC)C[NH3+] ZINC000050872220 521316369 /nfs/dbraw/zinc/31/63/69/521316369.db2.gz LKDKZHNADSDSJY-AWEZNQCLSA-N 2 2 256.340 2.914 10 0 CFAELP CCOC1CC[NH+]([C@@H](C[NH3+])c2ccccc2CC)CC1 ZINC000052203626 521657312 /nfs/dbraw/zinc/65/73/12/521657312.db2.gz XVZQSEXWLYZZMQ-KRWDZBQOSA-N 2 2 276.424 2.750 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@H+](C)C[C@@H]1CCCCO1 ZINC000052203711 521950563 /nfs/dbraw/zinc/95/05/63/521950563.db2.gz DLIWYELNDQZHFV-RDJZCZTQSA-N 2 2 276.424 2.750 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052203711 521950570 /nfs/dbraw/zinc/95/05/70/521950570.db2.gz DLIWYELNDQZHFV-RDJZCZTQSA-N 2 2 276.424 2.750 10 0 CFAELP C[NH2+]C[C@H](C(C)C)[N@H+](Cc1cccs1)C1CC1 ZINC000052370596 522064333 /nfs/dbraw/zinc/06/43/33/522064333.db2.gz JKKIRVPBCOFAAW-CQSZACIVSA-N 2 2 252.427 2.957 10 0 CFAELP C[NH2+]C[C@H](C(C)C)[N@@H+](Cc1cccs1)C1CC1 ZINC000052370596 522064341 /nfs/dbraw/zinc/06/43/41/522064341.db2.gz JKKIRVPBCOFAAW-CQSZACIVSA-N 2 2 252.427 2.957 10 0 CFAELP CC[C@@H](C)[N@H+](CCOC)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050579092 522096576 /nfs/dbraw/zinc/09/65/76/522096576.db2.gz LISCAVUXLSHQRG-CJNGLKHVSA-N 2 2 282.403 2.881 10 0 CFAELP CC[C@@H](C)[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050579092 522096582 /nfs/dbraw/zinc/09/65/82/522096582.db2.gz LISCAVUXLSHQRG-CJNGLKHVSA-N 2 2 282.403 2.881 10 0 CFAELP C[NH2+]Cc1sc2cccc(F)c2c1C[NH+]1CCOCC1 ZINC000052377741 522168756 /nfs/dbraw/zinc/16/87/56/522168756.db2.gz FJHAOAXUBFREHX-UHFFFAOYSA-N 2 2 294.395 2.592 10 0 CFAELP CC[C@@H](C[NH2+]CC(C)C)[N@H+](C)CCc1ccccn1 ZINC000052423792 522546445 /nfs/dbraw/zinc/54/64/45/522546445.db2.gz MPWMJZUQYHOOIM-INIZCTEOSA-N 2 2 263.429 2.580 10 0 CFAELP CC[C@@H](C[NH2+]CC(C)C)[N@@H+](C)CCc1ccccn1 ZINC000052423792 522546452 /nfs/dbraw/zinc/54/64/52/522546452.db2.gz MPWMJZUQYHOOIM-INIZCTEOSA-N 2 2 263.429 2.580 10 0 CFAELP C[N@H+](CCC[NH2+]CCC[NH+]1CCCC1)Cc1ccccc1 ZINC000049332286 522772609 /nfs/dbraw/zinc/77/26/09/522772609.db2.gz ZPPLVXHNEIOEDB-UHFFFAOYSA-N 3 2 289.467 2.584 10 0 CFAELP C[N@@H+](CCC[NH2+]CCC[NH+]1CCCC1)Cc1ccccc1 ZINC000049332286 522772621 /nfs/dbraw/zinc/77/26/21/522772621.db2.gz ZPPLVXHNEIOEDB-UHFFFAOYSA-N 3 2 289.467 2.584 10 0 CFAELP CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000156580800 523664585 /nfs/dbraw/zinc/66/45/85/523664585.db2.gz LGONFASPXPZBFD-TYNCELHUSA-N 2 2 278.444 2.653 10 0 CFAELP CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000156580800 523664595 /nfs/dbraw/zinc/66/45/95/523664595.db2.gz LGONFASPXPZBFD-TYNCELHUSA-N 2 2 278.444 2.653 10 0 CFAELP COCC[N@@H+](CC(C)C)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050579040 523681890 /nfs/dbraw/zinc/68/18/90/523681890.db2.gz OXBVIALTGNVTER-INIZCTEOSA-N 2 2 282.403 2.738 10 0 CFAELP COCC[N@H+](CC(C)C)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050579040 523681885 /nfs/dbraw/zinc/68/18/85/523681885.db2.gz OXBVIALTGNVTER-INIZCTEOSA-N 2 2 282.403 2.738 10 0 CFAELP CCc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2ccncc2)[nH+]1 ZINC000070456266 523821891 /nfs/dbraw/zinc/82/18/91/523821891.db2.gz UBZXGUZRTCJABS-ZDUSSCGKSA-N 2 2 297.406 2.513 10 0 CFAELP CC[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062709841 523924151 /nfs/dbraw/zinc/92/41/51/523924151.db2.gz IIJNBHHWGWDFJZ-UFBFGSQYSA-N 2 2 260.303 2.834 10 0 CFAELP CC[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062709841 523924157 /nfs/dbraw/zinc/92/41/57/523924157.db2.gz IIJNBHHWGWDFJZ-UFBFGSQYSA-N 2 2 260.303 2.834 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[NH+]2CCC(C)(C)CC2)c1 ZINC000061818316 524095177 /nfs/dbraw/zinc/09/51/77/524095177.db2.gz YQRJJNFOKSRVDM-OAHLLOKOSA-N 2 2 262.397 2.817 10 0 CFAELP C[C@H](CCC[NH2+]C(C)(C)C)[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419889 524139904 /nfs/dbraw/zinc/13/99/04/524139904.db2.gz XPSYQMNQDNKWAC-CQSZACIVSA-N 3 2 269.477 2.569 10 0 CFAELP C[C@H](CCC[NH2+]C(C)(C)C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419889 524139910 /nfs/dbraw/zinc/13/99/10/524139910.db2.gz XPSYQMNQDNKWAC-CQSZACIVSA-N 3 2 269.477 2.569 10 0 CFAELP Cc1ccc(C)c(OCC[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063195711 524177859 /nfs/dbraw/zinc/17/78/59/524177859.db2.gz QKRUOUBBVTYVSB-CVEARBPZSA-N 2 2 276.424 2.884 10 0 CFAELP Cc1ccc(C)c(OCC[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063195711 524177873 /nfs/dbraw/zinc/17/78/73/524177873.db2.gz QKRUOUBBVTYVSB-CVEARBPZSA-N 2 2 276.424 2.884 10 0 CFAELP C[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)[C@@H]1C[NH3+] ZINC000070178033 524228916 /nfs/dbraw/zinc/22/89/16/524228916.db2.gz XTAXUICQMXXALA-IUODEOHRSA-N 2 2 282.815 2.778 10 0 CFAELP C[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2)[C@@H]1C[NH3+] ZINC000070178033 524228924 /nfs/dbraw/zinc/22/89/24/524228924.db2.gz XTAXUICQMXXALA-IUODEOHRSA-N 2 2 282.815 2.778 10 0 CFAELP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1F ZINC000050885009 524352271 /nfs/dbraw/zinc/35/22/71/524352271.db2.gz PYOLEPGZJCYSEN-QWRGUYRKSA-N 2 2 254.324 2.524 10 0 CFAELP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1F ZINC000050885009 524352278 /nfs/dbraw/zinc/35/22/78/524352278.db2.gz PYOLEPGZJCYSEN-QWRGUYRKSA-N 2 2 254.324 2.524 10 0 CFAELP C[C@H]1C[N@@H+](C2(C[NH3+])CCC(C(F)(F)F)CC2)CCCO1 ZINC000069374953 524569936 /nfs/dbraw/zinc/56/99/36/524569936.db2.gz LQKAHXRPBWMVOP-HIFPTAJRSA-N 2 2 294.361 2.547 10 0 CFAELP C[C@H]1C[N@H+](C2(C[NH3+])CCC(C(F)(F)F)CC2)CCCO1 ZINC000069374953 524569949 /nfs/dbraw/zinc/56/99/49/524569949.db2.gz LQKAHXRPBWMVOP-HIFPTAJRSA-N 2 2 294.361 2.547 10 0 CFAELP C[C@H]1C[NH+](Cc2occc2C[NH2+]C(C)(C)C)C[C@H](C)O1 ZINC000052380307 524653120 /nfs/dbraw/zinc/65/31/20/524653120.db2.gz KDHIPDNWNMYDDY-STQMWFEESA-N 2 2 280.412 2.777 10 0 CFAELP C[C@H](Cn1cc[nH+]c1)Nc1ccc2cc(N)ccc2[nH+]1 ZINC000049234781 524795968 /nfs/dbraw/zinc/79/59/68/524795968.db2.gz NONPJIQAVPHPTJ-LLVKDONJSA-N 2 2 267.336 2.514 10 0 CFAELP Cc1cc(C[C@H](C)[NH3+])cc(C)c1OCCCn1cc[nH+]c1 ZINC000049328970 524829485 /nfs/dbraw/zinc/82/94/85/524829485.db2.gz LWNSOPYNQCEUKR-HNNXBMFYSA-N 2 2 287.407 2.859 10 0 CFAELP C[C@H]([NH3+])[C@@H](c1ccccc1)[N@H+](CCO)Cc1ccccc1 ZINC000050513923 524838078 /nfs/dbraw/zinc/83/80/78/524838078.db2.gz FOOFIPOXJFFPDY-YJBOKZPZSA-N 2 2 284.403 2.569 10 0 CFAELP C[C@H]([NH3+])[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccccc1 ZINC000050513923 524838086 /nfs/dbraw/zinc/83/80/86/524838086.db2.gz FOOFIPOXJFFPDY-YJBOKZPZSA-N 2 2 284.403 2.569 10 0 CFAELP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](Cc2ccc(F)cc2F)C1 ZINC000051017774 525096212 /nfs/dbraw/zinc/09/62/12/525096212.db2.gz DUIFGGYSNNZMRG-VXGBXAGGSA-N 2 2 268.351 2.642 10 0 CFAELP Cc1cc([C@@H](C[NH3+])[NH+]2CCC(C)CC2)ccc1F ZINC000050545797 525480839 /nfs/dbraw/zinc/48/08/39/525480839.db2.gz YBJCXBNBCMRUFM-OAHLLOKOSA-N 2 2 250.361 2.866 10 0 CFAELP C[C@@H]1[C@@H](C)CCC[N@@H+]1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000050563469 525642109 /nfs/dbraw/zinc/64/21/09/525642109.db2.gz FBZZAHFKKSTEIQ-ZOWXZIJZSA-N 2 2 250.361 2.946 10 0 CFAELP C[C@@H]1[C@@H](C)CCC[N@H+]1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000050563469 525642116 /nfs/dbraw/zinc/64/21/16/525642116.db2.gz FBZZAHFKKSTEIQ-ZOWXZIJZSA-N 2 2 250.361 2.946 10 0 CFAELP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])CC(C)C)s1 ZINC000049538738 526753118 /nfs/dbraw/zinc/75/31/18/526753118.db2.gz VPQFJWKEZXAYNC-JOYOIKCWSA-N 2 2 255.431 2.784 10 0 CFAELP Cc1oc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C[NH2+]C(C)C ZINC000052380333 526773483 /nfs/dbraw/zinc/77/34/83/526773483.db2.gz DIKKXIWLTOWKHA-BETUJISGSA-N 2 2 280.412 2.695 10 0 CFAELP Cc1oc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C[NH2+]C(C)C ZINC000052380333 526773488 /nfs/dbraw/zinc/77/34/88/526773488.db2.gz DIKKXIWLTOWKHA-BETUJISGSA-N 2 2 280.412 2.695 10 0 CFAELP Cc1occc1C[N@@H+](C)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052346445 526825693 /nfs/dbraw/zinc/82/56/93/526825693.db2.gz FCPCCYNWOMTKSH-HNNXBMFYSA-N 2 2 250.386 2.796 10 0 CFAELP Cc1occc1C[N@H+](C)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052346445 526825700 /nfs/dbraw/zinc/82/57/00/526825700.db2.gz FCPCCYNWOMTKSH-HNNXBMFYSA-N 2 2 250.386 2.796 10 0 CFAELP [NH3+]CCc1[nH+]ccn1Cc1ccc(Cl)cc1Cl ZINC000052304111 527199336 /nfs/dbraw/zinc/19/93/36/527199336.db2.gz UHGJPJOGBKGYHL-UHFFFAOYSA-N 2 2 270.163 2.739 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2)C1 ZINC000133037227 529092704 /nfs/dbraw/zinc/09/27/04/529092704.db2.gz SBJXODAGYVKHGJ-BBRMVZONSA-N 2 2 264.388 2.831 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2)C1 ZINC000133037227 529092707 /nfs/dbraw/zinc/09/27/07/529092707.db2.gz SBJXODAGYVKHGJ-BBRMVZONSA-N 2 2 264.388 2.831 10 0 CFAELP Cc1ccc([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)cc1Br ZINC000675052558 545529471 /nfs/dbraw/zinc/52/94/71/545529471.db2.gz BFAFWFNPQFSRFV-YPMHNXCESA-N 2 2 283.213 2.852 10 0 CFAELP Cc1ccc([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)cc1Br ZINC000675052558 545529472 /nfs/dbraw/zinc/52/94/72/545529472.db2.gz BFAFWFNPQFSRFV-YPMHNXCESA-N 2 2 283.213 2.852 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2cccc(F)c2)C1 ZINC000222589179 647281103 /nfs/dbraw/zinc/28/11/03/647281103.db2.gz BGHNCFAZJMGNHC-XJKSGUPXSA-N 2 2 264.388 2.831 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2cccc(F)c2)C1 ZINC000222589179 647281104 /nfs/dbraw/zinc/28/11/04/647281104.db2.gz BGHNCFAZJMGNHC-XJKSGUPXSA-N 2 2 264.388 2.831 10 0 CFAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCOc1ccc2ccccc2c1 ZINC000128202694 187357006 /nfs/dbraw/zinc/35/70/06/187357006.db2.gz FAJVYTRNTXNDAK-INIZCTEOSA-N 2 2 270.376 2.642 10 0 CFAELP [NH3+]C[C@@H]1CCC[N@H+]1CCOc1ccc2ccccc2c1 ZINC000128202694 187357007 /nfs/dbraw/zinc/35/70/07/187357007.db2.gz FAJVYTRNTXNDAK-INIZCTEOSA-N 2 2 270.376 2.642 10 0 CFAELP C[N@@H+]1CCC[C@@H](Nc2ccccc2-n2cc[nH+]c2)CC1 ZINC000086817544 179344682 /nfs/dbraw/zinc/34/46/82/179344682.db2.gz FZSYOIKOIZECER-CQSZACIVSA-N 2 2 270.380 2.769 10 0 CFAELP C[N@H+]1CCC[C@@H](Nc2ccccc2-n2cc[nH+]c2)CC1 ZINC000086817544 179344684 /nfs/dbraw/zinc/34/46/84/179344684.db2.gz FZSYOIKOIZECER-CQSZACIVSA-N 2 2 270.380 2.769 10 0 CFAELP C[N@@H+]1CCC[C@H](Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000086817637 179345717 /nfs/dbraw/zinc/34/57/17/179345717.db2.gz YJAXDXCTLKUSNB-AWEZNQCLSA-N 2 2 270.380 2.769 10 0 CFAELP C[N@H+]1CCC[C@H](Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000086817637 179345719 /nfs/dbraw/zinc/34/57/19/179345719.db2.gz YJAXDXCTLKUSNB-AWEZNQCLSA-N 2 2 270.380 2.769 10 0 CFAELP CCN(CC)c1ccc(N[C@H]2CCC[N@H+](C)CC2)c[nH+]1 ZINC000086817948 179345936 /nfs/dbraw/zinc/34/59/36/179345936.db2.gz ZBMVFTOIOCWLGT-AWEZNQCLSA-N 2 2 276.428 2.824 10 0 CFAELP CCN(CC)c1ccc(N[C@H]2CCC[N@@H+](C)CC2)c[nH+]1 ZINC000086817948 179345937 /nfs/dbraw/zinc/34/59/37/179345937.db2.gz ZBMVFTOIOCWLGT-AWEZNQCLSA-N 2 2 276.428 2.824 10 0 CFAELP CC[N@@H+]1CCC[C@@]([NH3+])(c2nc(C(C)C)cs2)CC1 ZINC000086851321 179358914 /nfs/dbraw/zinc/35/89/14/179358914.db2.gz XYMXOBTZRIIUNM-AWEZNQCLSA-N 2 2 267.442 2.926 10 0 CFAELP CC[N@H+]1CCC[C@@]([NH3+])(c2nc(C(C)C)cs2)CC1 ZINC000086851321 179358915 /nfs/dbraw/zinc/35/89/15/179358915.db2.gz XYMXOBTZRIIUNM-AWEZNQCLSA-N 2 2 267.442 2.926 10 0 CFAELP Nc1c[nH+]cc(NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000228309967 348194547 /nfs/dbraw/zinc/19/45/47/348194547.db2.gz DAQIVYWRXVYWMH-UHFFFAOYSA-N 2 2 282.391 2.740 10 0 CFAELP Cc1cc[nH+]c(N[C@H](C)C[C@H](C)[NH3+])c1Br ZINC000235499514 348228251 /nfs/dbraw/zinc/22/82/51/348228251.db2.gz UMCPWFLSAHJUCK-DTWKUNHWSA-N 2 2 272.190 2.690 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312412012 348417961 /nfs/dbraw/zinc/41/79/61/348417961.db2.gz GBYZDPZBVQUHGO-CXAGYDPISA-N 2 2 269.392 2.964 10 0 CFAELP CC(C)C[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C(C)C ZINC000601063028 350656618 /nfs/dbraw/zinc/65/66/18/350656618.db2.gz LMUXLKFWDCMCOR-SFHVURJKSA-N 2 2 292.467 2.846 10 0 CFAELP CC(C)C[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C(C)C ZINC000601063028 350656621 /nfs/dbraw/zinc/65/66/21/350656621.db2.gz LMUXLKFWDCMCOR-SFHVURJKSA-N 2 2 292.467 2.846 10 0 CFAELP CC(C)C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(C)C ZINC000601063028 350656623 /nfs/dbraw/zinc/65/66/23/350656623.db2.gz LMUXLKFWDCMCOR-SFHVURJKSA-N 2 2 292.467 2.846 10 0 CFAELP CC(C)C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000601063028 350656624 /nfs/dbraw/zinc/65/66/24/350656624.db2.gz LMUXLKFWDCMCOR-SFHVURJKSA-N 2 2 292.467 2.846 10 0 CFAELP C[N@H+](CC1CCOCC1)[C@H](C[NH3+])c1ccccc1Cl ZINC000111239124 186375077 /nfs/dbraw/zinc/37/50/77/186375077.db2.gz WXMLGXPKMPEWQE-OAHLLOKOSA-N 2 2 282.815 2.698 10 0 CFAELP C[N@@H+](CC1CCOCC1)[C@H](C[NH3+])c1ccccc1Cl ZINC000111239124 186375078 /nfs/dbraw/zinc/37/50/78/186375078.db2.gz WXMLGXPKMPEWQE-OAHLLOKOSA-N 2 2 282.815 2.698 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000122932369 187060317 /nfs/dbraw/zinc/06/03/17/187060317.db2.gz IYFBMKMKCUPELH-HNNXBMFYSA-N 2 2 285.391 2.988 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000122932369 187060318 /nfs/dbraw/zinc/06/03/18/187060318.db2.gz IYFBMKMKCUPELH-HNNXBMFYSA-N 2 2 285.391 2.988 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1cccc2cnccc21 ZINC000616615879 352385677 /nfs/dbraw/zinc/38/56/77/352385677.db2.gz DHZMHJWDSSKEDH-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1cccc2cnccc21 ZINC000616615879 352385679 /nfs/dbraw/zinc/38/56/79/352385679.db2.gz DHZMHJWDSSKEDH-INIZCTEOSA-N 2 2 255.365 2.721 10 0 CFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000154101793 188123818 /nfs/dbraw/zinc/12/38/18/188123818.db2.gz JMVIULIMRHLPNQ-DYVFJYSZSA-N 2 2 271.408 2.986 10 0 CFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000154101793 188123819 /nfs/dbraw/zinc/12/38/19/188123819.db2.gz JMVIULIMRHLPNQ-DYVFJYSZSA-N 2 2 271.408 2.986 10 0 CFAELP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000156871380 188285904 /nfs/dbraw/zinc/28/59/04/188285904.db2.gz QQXGQJOHLXCZJI-NJAFHUGGSA-N 2 2 290.451 2.562 10 0 CFAELP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000156871380 188285905 /nfs/dbraw/zinc/28/59/05/188285905.db2.gz QQXGQJOHLXCZJI-NJAFHUGGSA-N 2 2 290.451 2.562 10 0 CFAELP COc1ccc(CC[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178292932 189103912 /nfs/dbraw/zinc/10/39/12/189103912.db2.gz OHEHZNQCIMERFW-KRWDZBQOSA-N 2 2 299.418 2.907 10 0 CFAELP COc1ccc(CC[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178292932 189103913 /nfs/dbraw/zinc/10/39/13/189103913.db2.gz OHEHZNQCIMERFW-KRWDZBQOSA-N 2 2 299.418 2.907 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC000178294727 189104035 /nfs/dbraw/zinc/10/40/35/189104035.db2.gz XATXBZGIRDRPDP-AWEZNQCLSA-N 2 2 290.798 2.905 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC000178294727 189104036 /nfs/dbraw/zinc/10/40/36/189104036.db2.gz XATXBZGIRDRPDP-AWEZNQCLSA-N 2 2 290.798 2.905 10 0 CFAELP CC(C)[N@H+]1C[C@H]([NH2+][C@@H](C)c2cccc(CO)c2)[C@@H](C)C1 ZINC000183305338 189354341 /nfs/dbraw/zinc/35/43/41/189354341.db2.gz UFLMPWKHVAWVAX-ZQIUZPCESA-N 2 2 276.424 2.558 10 0 CFAELP CC(C)[N@@H+]1C[C@H]([NH2+][C@@H](C)c2cccc(CO)c2)[C@@H](C)C1 ZINC000183305338 189354342 /nfs/dbraw/zinc/35/43/42/189354342.db2.gz UFLMPWKHVAWVAX-ZQIUZPCESA-N 2 2 276.424 2.558 10 0 CFAELP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000667005621 541173587 /nfs/dbraw/zinc/17/35/87/541173587.db2.gz XNZVOZKTHZUJTO-TUAOUCFPSA-N 2 2 253.415 2.572 10 0 CFAELP Cc1cc(N2CCc3c([nH+]c(C(C)C)n3C)C2)cc[nH+]1 ZINC000302207223 201396200 /nfs/dbraw/zinc/39/62/00/201396200.db2.gz ACWLWLLBIDHZDA-UHFFFAOYSA-N 2 2 270.380 2.810 10 0 CFAELP C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)C1C[NH2+]C1 ZINC000422693877 296151349 /nfs/dbraw/zinc/15/13/49/296151349.db2.gz MWIYWNKOVMBDGO-ZJUUUORDSA-N 2 2 283.213 2.708 10 0 CFAELP CC1CC[NH+]([C@@H](C[NH3+])c2ccc3c(c2)OCCCO3)CC1 ZINC000037675120 372688192 /nfs/dbraw/zinc/68/81/92/372688192.db2.gz ABMHMXVDPDKOGC-HNNXBMFYSA-N 2 2 290.407 2.580 10 0 CFAELP CC[C@H](C)Oc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000041166585 372824568 /nfs/dbraw/zinc/82/45/68/372824568.db2.gz PKJONQJBMZHMJQ-AWEZNQCLSA-N 2 2 262.397 2.659 10 0 CFAELP CC[C@H](C)Oc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000041166585 372824581 /nfs/dbraw/zinc/82/45/81/372824581.db2.gz PKJONQJBMZHMJQ-AWEZNQCLSA-N 2 2 262.397 2.659 10 0 CFAELP CC(C)c1cc(N[C@@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000045955173 373038456 /nfs/dbraw/zinc/03/84/56/373038456.db2.gz LPUIJEGLTNEZDA-GFCCVEGCSA-N 2 2 262.401 2.887 10 0 CFAELP CCCc1[nH+]c2ccccc2n1CC1CC[NH2+]CC1 ZINC000057865414 373616236 /nfs/dbraw/zinc/61/62/36/373616236.db2.gz RAEJZILRSJJKSZ-UHFFFAOYSA-N 2 2 257.381 2.988 10 0 CFAELP CCCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccccc2)[nH+]1 ZINC000070455775 374180072 /nfs/dbraw/zinc/18/00/72/374180072.db2.gz GOUKKKIDUHXGFW-AWEZNQCLSA-N 2 2 282.391 2.634 10 0 CFAELP Cc1ccc(-c2nc(N3CC[NH2+]CC3)cc(C(C)C)[nH+]2)cc1 ZINC000070451610 374178448 /nfs/dbraw/zinc/17/84/48/374178448.db2.gz QPHNBKIULRFDNC-UHFFFAOYSA-N 2 2 296.418 2.985 10 0 CFAELP CCCc1cc(NCC2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000070456071 374179479 /nfs/dbraw/zinc/17/94/79/374179479.db2.gz RHEKVTQEYQDCPT-UHFFFAOYSA-N 2 2 276.428 2.964 10 0 CFAELP C[C@@H]([NH3+])[C@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000090802020 375029434 /nfs/dbraw/zinc/02/94/34/375029434.db2.gz YTNKHVPJEMHARS-ZJUUUORDSA-N 2 2 273.302 2.664 10 0 CFAELP CC(C)[NH2+][C@H](CCO)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095088330 375409474 /nfs/dbraw/zinc/40/94/74/375409474.db2.gz YEMXGGYLQTUABN-QZTJIDSGSA-N 2 2 290.451 2.790 10 0 CFAELP CC(C)[NH2+][C@H](CCO)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095088330 375409478 /nfs/dbraw/zinc/40/94/78/375409478.db2.gz YEMXGGYLQTUABN-QZTJIDSGSA-N 2 2 290.451 2.790 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cc[nH+]cc1C ZINC000121509342 376848614 /nfs/dbraw/zinc/84/86/14/376848614.db2.gz VWWUOFIQAPBJQI-CQSZACIVSA-N 2 2 299.378 2.591 10 0 CFAELP Cc1csc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000131108527 377659288 /nfs/dbraw/zinc/65/92/88/377659288.db2.gz BSXGRWXOYCRYAB-CYBMUJFWSA-N 2 2 276.409 2.621 10 0 CFAELP Cc1csc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000131108527 377659303 /nfs/dbraw/zinc/65/93/03/377659303.db2.gz BSXGRWXOYCRYAB-CYBMUJFWSA-N 2 2 276.409 2.621 10 0 CFAELP C[C@H]([NH3+])[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000168593064 379092904 /nfs/dbraw/zinc/09/29/04/379092904.db2.gz QQIVGQZSMQACKV-JSGCOSHPSA-N 2 2 255.365 2.798 10 0 CFAELP Clc1cc(Br)cc(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000335539261 379477317 /nfs/dbraw/zinc/47/73/17/379477317.db2.gz QKUBDEDENHXNPP-NSHDSACASA-N 2 2 289.604 2.554 10 0 CFAELP C[N@@H+]1CCO[C@@H](CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000172150628 379501943 /nfs/dbraw/zinc/50/19/43/379501943.db2.gz BPFDQBMNAAYFKG-LBPRGKRZSA-N 2 2 291.782 2.631 10 0 CFAELP C[N@H+]1CCO[C@@H](CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000172150628 379501950 /nfs/dbraw/zinc/50/19/50/379501950.db2.gz BPFDQBMNAAYFKG-LBPRGKRZSA-N 2 2 291.782 2.631 10 0 CFAELP C[N@@H+]1CCO[C@H](CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000172150625 379502507 /nfs/dbraw/zinc/50/25/07/379502507.db2.gz BPFDQBMNAAYFKG-GFCCVEGCSA-N 2 2 291.782 2.631 10 0 CFAELP C[N@H+]1CCO[C@H](CNc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000172150625 379502511 /nfs/dbraw/zinc/50/25/11/379502511.db2.gz BPFDQBMNAAYFKG-GFCCVEGCSA-N 2 2 291.782 2.631 10 0 CFAELP C[C@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)C(F)(F)F ZINC000335990695 380204015 /nfs/dbraw/zinc/20/40/15/380204015.db2.gz VTTWWJPIXAOGGN-LLVKDONJSA-N 2 2 264.335 2.745 10 0 CFAELP C[C@H](C[NH+]1CCC2(CCC[N@H+]2C)CC1)C(F)(F)F ZINC000335990695 380204021 /nfs/dbraw/zinc/20/40/21/380204021.db2.gz VTTWWJPIXAOGGN-LLVKDONJSA-N 2 2 264.335 2.745 10 0 CFAELP CCSCC[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000336715033 380606347 /nfs/dbraw/zinc/60/63/47/380606347.db2.gz ONHPMILRVLINFN-AWEZNQCLSA-N 2 2 266.454 2.850 10 0 CFAELP CCSCC[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000336715033 380606353 /nfs/dbraw/zinc/60/63/53/380606353.db2.gz ONHPMILRVLINFN-AWEZNQCLSA-N 2 2 266.454 2.850 10 0 CFAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC[C@H]1CCOC1 ZINC000400646258 380864179 /nfs/dbraw/zinc/86/41/79/380864179.db2.gz WYHGODRGNKCRJL-RDJZCZTQSA-N 2 2 276.424 2.523 10 0 CFAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC[C@H]1CCOC1 ZINC000400646258 380864187 /nfs/dbraw/zinc/86/41/87/380864187.db2.gz WYHGODRGNKCRJL-RDJZCZTQSA-N 2 2 276.424 2.523 10 0 CFAELP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1c(F)cccc1F ZINC000400343847 380856448 /nfs/dbraw/zinc/85/64/48/380856448.db2.gz GMELFVMCTLVNRB-DCAQKATOSA-N 2 2 254.324 2.613 10 0 CFAELP CCC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1cccnc1 ZINC000185105808 381537833 /nfs/dbraw/zinc/53/78/33/381537833.db2.gz IYAMSZCQEIVINJ-CVEARBPZSA-N 2 2 261.413 2.997 10 0 CFAELP CCC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1cccnc1 ZINC000185105808 381537839 /nfs/dbraw/zinc/53/78/39/381537839.db2.gz IYAMSZCQEIVINJ-CVEARBPZSA-N 2 2 261.413 2.997 10 0 CFAELP C[C@H]1[C@H]([NH2+]CCn2cc[nH+]c2)CCCN1Cc1ccccc1 ZINC000293248645 382047650 /nfs/dbraw/zinc/04/76/50/382047650.db2.gz BMXNKVWSABJGPV-FUHWJXTLSA-N 2 2 298.434 2.526 10 0 CFAELP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000187065207 382089147 /nfs/dbraw/zinc/08/91/47/382089147.db2.gz KJTNOJNHEOLZHL-DLBZAZTESA-N 2 2 260.425 2.938 10 0 CFAELP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000187065207 382089156 /nfs/dbraw/zinc/08/91/56/382089156.db2.gz KJTNOJNHEOLZHL-DLBZAZTESA-N 2 2 260.425 2.938 10 0 CFAELP Cc1cccc(NC2CCN(c3cccc[nH+]3)CC2)[nH+]1 ZINC000301303604 382144100 /nfs/dbraw/zinc/14/41/00/382144100.db2.gz WQFQWVSPONWSTB-UHFFFAOYSA-N 2 2 268.364 2.866 10 0 CFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000301883558 382198513 /nfs/dbraw/zinc/19/85/13/382198513.db2.gz NLWCUBHZQYHPMN-BXUZGUMPSA-N 2 2 258.369 2.704 10 0 CFAELP CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000301883558 382198516 /nfs/dbraw/zinc/19/85/16/382198516.db2.gz NLWCUBHZQYHPMN-BXUZGUMPSA-N 2 2 258.369 2.704 10 0 CFAELP CCOc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188397862 382407186 /nfs/dbraw/zinc/40/71/86/382407186.db2.gz WIDMNUNEDDDNIL-MRXNPFEDSA-N 2 2 285.391 2.946 10 0 CFAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000358187630 382495660 /nfs/dbraw/zinc/49/56/60/382495660.db2.gz ZMOSSGYOJZPMDD-BHDSKKPTSA-N 2 2 254.324 2.566 10 0 CFAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000358187630 382495668 /nfs/dbraw/zinc/49/56/68/382495668.db2.gz ZMOSSGYOJZPMDD-BHDSKKPTSA-N 2 2 254.324 2.566 10 0 CFAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(CO)cc1 ZINC000309651090 382490598 /nfs/dbraw/zinc/49/05/98/382490598.db2.gz AGBKMUNXMBOVLJ-INIZCTEOSA-N 2 2 298.430 2.789 10 0 CFAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(CO)cc1 ZINC000309651090 382490608 /nfs/dbraw/zinc/49/06/08/382490608.db2.gz AGBKMUNXMBOVLJ-INIZCTEOSA-N 2 2 298.430 2.789 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(Br)c2)C1 ZINC000389222819 382612792 /nfs/dbraw/zinc/61/27/92/382612792.db2.gz GBGDSNUDUWSSQA-CYBMUJFWSA-N 2 2 297.240 2.941 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(Br)c2)C1 ZINC000389222819 382612793 /nfs/dbraw/zinc/61/27/93/382612793.db2.gz GBGDSNUDUWSSQA-CYBMUJFWSA-N 2 2 297.240 2.941 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336832018 382726317 /nfs/dbraw/zinc/72/63/17/382726317.db2.gz DWEKTCQBELOOML-UPJWGTAASA-N 2 2 296.377 2.662 10 0 CFAELP C[C@H]([NH3+])C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000199514722 382771942 /nfs/dbraw/zinc/77/19/42/382771942.db2.gz ZXAQPQMRUHGIQN-YJBOKZPZSA-N 2 2 284.403 2.569 10 0 CFAELP C[C@H]([NH3+])C[N@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000199514722 382771944 /nfs/dbraw/zinc/77/19/44/382771944.db2.gz ZXAQPQMRUHGIQN-YJBOKZPZSA-N 2 2 284.403 2.569 10 0 CFAELP [NH3+][C@]1(c2ccsc2)CC[N@H+](Cc2ccccc2)C1 ZINC000575560688 382773717 /nfs/dbraw/zinc/77/37/17/382773717.db2.gz MHFWRMPBEQFREA-OAHLLOKOSA-N 2 2 258.390 2.808 10 0 CFAELP [NH3+][C@]1(c2ccsc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000575560688 382773719 /nfs/dbraw/zinc/77/37/19/382773719.db2.gz MHFWRMPBEQFREA-OAHLLOKOSA-N 2 2 258.390 2.808 10 0 CFAELP Cc1cc[nH+]c(NCC[C@@H]2CC[NH2+]C2)c1Br ZINC000235933253 382890435 /nfs/dbraw/zinc/89/04/35/382890435.db2.gz UFLYAILWSCVLNT-JTQLQIEISA-N 2 2 284.201 2.564 10 0 CFAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000247079917 383140831 /nfs/dbraw/zinc/14/08/31/383140831.db2.gz JDLVSMIWPSODEG-WMLDXEAASA-N 2 2 286.419 2.781 10 0 CFAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000247079917 383140836 /nfs/dbraw/zinc/14/08/36/383140836.db2.gz JDLVSMIWPSODEG-WMLDXEAASA-N 2 2 286.419 2.781 10 0 CFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000247091712 383141630 /nfs/dbraw/zinc/14/16/30/383141630.db2.gz JMVIULIMRHLPNQ-CXAGYDPISA-N 2 2 271.408 2.986 10 0 CFAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000247091712 383141634 /nfs/dbraw/zinc/14/16/34/383141634.db2.gz JMVIULIMRHLPNQ-CXAGYDPISA-N 2 2 271.408 2.986 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC000248639392 383276131 /nfs/dbraw/zinc/27/61/31/383276131.db2.gz XQDXBQPVXOVZSU-ZIAGYGMSSA-N 2 2 285.395 2.634 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)c2cnccn2)C1 ZINC000248639392 383276135 /nfs/dbraw/zinc/27/61/35/383276135.db2.gz XQDXBQPVXOVZSU-ZIAGYGMSSA-N 2 2 285.395 2.634 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3F)C[C@H]12 ZINC000261560658 383511113 /nfs/dbraw/zinc/51/11/13/383511113.db2.gz FIMLKNBWEAJTDL-DUFXMDAXSA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3F)C[C@H]12 ZINC000261560658 383511117 /nfs/dbraw/zinc/51/11/17/383511117.db2.gz FIMLKNBWEAJTDL-DUFXMDAXSA-N 2 2 268.763 2.648 10 0 CFAELP CCc1cccc(Cl)c1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261932741 383581667 /nfs/dbraw/zinc/58/16/67/383581667.db2.gz CWGFKTIKYTZMTA-YGRLFVJLSA-N 2 2 252.789 2.681 10 0 CFAELP CCc1cccc(Cl)c1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261932741 383581673 /nfs/dbraw/zinc/58/16/73/383581673.db2.gz CWGFKTIKYTZMTA-YGRLFVJLSA-N 2 2 252.789 2.681 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(-c4cccs4)on3)C[C@H]12 ZINC000261756425 383553923 /nfs/dbraw/zinc/55/39/23/383553923.db2.gz NIMHPIIOZJTPGB-WCFLWFBJSA-N 2 2 289.404 2.572 10 0 CFAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-c4cccs4)on3)C[C@H]12 ZINC000261756425 383553928 /nfs/dbraw/zinc/55/39/28/383553928.db2.gz NIMHPIIOZJTPGB-WCFLWFBJSA-N 2 2 289.404 2.572 10 0 CFAELP CCC[N@H+](Cc1noc(C[NH3+])n1)[C@H](CC)c1ccccc1 ZINC000262270065 383614668 /nfs/dbraw/zinc/61/46/68/383614668.db2.gz SKUKTCRIHUDBRY-CQSZACIVSA-N 2 2 288.395 2.892 10 0 CFAELP CCC[N@@H+](Cc1noc(C[NH3+])n1)[C@H](CC)c1ccccc1 ZINC000262270065 383614671 /nfs/dbraw/zinc/61/46/71/383614671.db2.gz SKUKTCRIHUDBRY-CQSZACIVSA-N 2 2 288.395 2.892 10 0 CFAELP C[C@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C[C@@H]1C[NH3+] ZINC000164011525 394369147 /nfs/dbraw/zinc/36/91/47/394369147.db2.gz SMZRBTXSHSPYHB-UWVGGRQHSA-N 2 2 273.302 2.522 10 0 CFAELP Fc1cc(F)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1F ZINC000185223850 543047125 /nfs/dbraw/zinc/04/71/25/543047125.db2.gz PGYVEONXRGKMGO-GFCCVEGCSA-N 2 2 295.308 2.965 10 0 CFAELP Fc1cc(F)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1F ZINC000185223850 543047128 /nfs/dbraw/zinc/04/71/28/543047128.db2.gz PGYVEONXRGKMGO-GFCCVEGCSA-N 2 2 295.308 2.965 10 0 CFAELP Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3)n2c1 ZINC000188414329 543061793 /nfs/dbraw/zinc/06/17/93/543061793.db2.gz ZRCLEOBLWMLHDN-HNNXBMFYSA-N 2 2 295.390 2.504 10 0 CFAELP Cc1ccc2ncc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3)n2c1 ZINC000188414329 543061796 /nfs/dbraw/zinc/06/17/96/543061796.db2.gz ZRCLEOBLWMLHDN-HNNXBMFYSA-N 2 2 295.390 2.504 10 0 CFAELP Cc1cc2ccccc2[nH+]c1NCCC1CC[NH2+]CC1 ZINC000650311101 397752688 /nfs/dbraw/zinc/75/26/88/397752688.db2.gz NDEMEKYFFQGOEJ-UHFFFAOYSA-N 2 2 269.392 2.767 10 0 CFAELP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](CC)C2)C12CCCC2 ZINC000247032689 286293031 /nfs/dbraw/zinc/29/30/31/286293031.db2.gz VOOVBFUMEHPWAH-ARFHVFGLSA-N 2 2 280.456 2.798 10 0 CFAELP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](CC)C2)C12CCCC2 ZINC000247032689 286293032 /nfs/dbraw/zinc/29/30/32/286293032.db2.gz VOOVBFUMEHPWAH-ARFHVFGLSA-N 2 2 280.456 2.798 10 0 CFAELP CCO[C@@H]1C[C@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C1(C)C ZINC000085385031 286395772 /nfs/dbraw/zinc/39/57/72/286395772.db2.gz GJIMSPHVTJURRU-SOUVJXGZSA-N 2 2 270.461 2.756 10 0 CFAELP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cc(F)ccc1F ZINC000657301295 413417712 /nfs/dbraw/zinc/41/77/12/413417712.db2.gz ZHDWZLFZGMVTCQ-SNVBAGLBSA-N 2 2 277.318 2.958 10 0 CFAELP Cc1[nH+]cc(C[NH2+]C2CCC(C(F)(F)F)CC2)n1C ZINC000657304159 413422921 /nfs/dbraw/zinc/42/29/21/413422921.db2.gz KLSDENNOZQAFAG-UHFFFAOYSA-N 2 2 275.318 2.939 10 0 CFAELP CCOc1ccccc1[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000657337047 413468611 /nfs/dbraw/zinc/46/86/11/413468611.db2.gz GNMNUCIHTLOTEA-LBPRGKRZSA-N 2 2 273.380 2.978 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)CC(C)(C)C)c(OC)c1 ZINC000020226496 171091900 /nfs/dbraw/zinc/09/19/00/171091900.db2.gz IIOITFQAWAAGBW-CQSZACIVSA-N 2 2 280.412 2.682 10 0 CFAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)CC(C)(C)C)c(OC)c1 ZINC000020226496 171091901 /nfs/dbraw/zinc/09/19/01/171091901.db2.gz IIOITFQAWAAGBW-CQSZACIVSA-N 2 2 280.412 2.682 10 0 CFAELP C[C@H]1C[C@H](C)C[NH+]([C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000022165562 171365503 /nfs/dbraw/zinc/36/55/03/171365503.db2.gz DYFBOAAPWLENIQ-HUBLWGQQSA-N 2 2 250.361 2.803 10 0 CFAELP [NH3+]C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCCCC1 ZINC000022214350 171375129 /nfs/dbraw/zinc/37/51/29/171375129.db2.gz ZBBUQQLMKQHPLR-CYBMUJFWSA-N 2 2 270.323 2.774 10 0 CFAELP COc1cccc([C@H](C[NH3+])[NH+]2C[C@H](C)C[C@@H](C)C2)c1OC ZINC000022217732 171376395 /nfs/dbraw/zinc/37/63/95/171376395.db2.gz BCKVVEZOMAAIEM-NFAWXSAZSA-N 2 2 292.423 2.682 10 0 CFAELP c1cn(CCC[NH2+][C@H]2CSCc3ccccc32)c[nH+]1 ZINC000037249512 173062459 /nfs/dbraw/zinc/06/24/59/173062459.db2.gz LOYCVEREHNASSY-HNNXBMFYSA-N 2 2 273.405 2.851 10 0 CFAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000037325611 173127013 /nfs/dbraw/zinc/12/70/13/173127013.db2.gz UCDRNPMIJMGFRK-ZDUSSCGKSA-N 2 2 264.369 2.537 10 0 CFAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363703 173152223 /nfs/dbraw/zinc/15/22/23/173152223.db2.gz ZATRDKIMXFNGNW-HNNXBMFYSA-N 2 2 262.397 2.743 10 0 CFAELP CC[NH+]1CCC([C@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000038028853 174018317 /nfs/dbraw/zinc/01/83/17/174018317.db2.gz BFGMMWABBGFTKK-CVEARBPZSA-N 3 2 281.488 2.571 10 0 CFAELP CC(C)Oc1ccc([C@H](C)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000038086795 174097668 /nfs/dbraw/zinc/09/76/68/174097668.db2.gz VSYGELFNZIEHTJ-AWEZNQCLSA-N 2 2 262.397 2.830 10 0 CFAELP CC(C)Oc1ccc([C@H](C)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000038086795 174097669 /nfs/dbraw/zinc/09/76/69/174097669.db2.gz VSYGELFNZIEHTJ-AWEZNQCLSA-N 2 2 262.397 2.830 10 0 CFAELP C[C@H]([N@@H+]1CCC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC000038087007 174098752 /nfs/dbraw/zinc/09/87/52/174098752.db2.gz ZQIAAQJOHFNLLL-SIGVMEELSA-N 2 2 262.441 2.887 10 0 CFAELP C[C@H]([N@H+]1CCC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC000038087007 174098753 /nfs/dbraw/zinc/09/87/53/174098753.db2.gz ZQIAAQJOHFNLLL-SIGVMEELSA-N 2 2 262.441 2.887 10 0 CFAELP CC[NH+]1CCC([NH2+][C@H](C)c2scnc2C)CC1 ZINC000038098220 174113685 /nfs/dbraw/zinc/11/36/85/174113685.db2.gz CDDLZJMRDJZTSU-LLVKDONJSA-N 2 2 253.415 2.586 10 0 CFAELP CCCOc1ccc([C@H](C[NH3+])[NH+](CC)CC)cc1 ZINC000039789131 174173829 /nfs/dbraw/zinc/17/38/29/174173829.db2.gz HJOWGNJMVVVHIY-HNNXBMFYSA-N 2 2 250.386 2.817 10 0 CFAELP C[NH+](C)CCCn1c2cc(Cl)ccc2[nH+]c1CCCO ZINC000040404188 174253874 /nfs/dbraw/zinc/25/38/74/174253874.db2.gz MYWPPSMPCVTROP-UHFFFAOYSA-N 2 2 295.814 2.566 10 0 CFAELP CC[C@H]([NH2+]CCc1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000040638791 174362747 /nfs/dbraw/zinc/36/27/47/174362747.db2.gz PXDYRYBDTRSCRP-HNNXBMFYSA-N 2 2 273.380 2.712 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000040639197 174363543 /nfs/dbraw/zinc/36/35/43/174363543.db2.gz WHXGUUPOGURUNB-ZNMIVQPWSA-N 2 2 261.413 2.911 10 0 CFAELP CC(C)Oc1cccc([C@H](C[NH3+])[N@@H+]2CCC[C@@H]2C)c1 ZINC000040641323 174364372 /nfs/dbraw/zinc/36/43/72/174364372.db2.gz ZPZZJGFPIXRXBK-BBRMVZONSA-N 2 2 262.397 2.958 10 0 CFAELP CC(C)Oc1cccc([C@H](C[NH3+])[N@H+]2CCC[C@@H]2C)c1 ZINC000040641323 174364373 /nfs/dbraw/zinc/36/43/73/174364373.db2.gz ZPZZJGFPIXRXBK-BBRMVZONSA-N 2 2 262.397 2.958 10 0 CFAELP CC(C)Oc1cccc(C[NH2+]CCc2[nH+]ccn2C)c1 ZINC000040640741 174364498 /nfs/dbraw/zinc/36/44/98/174364498.db2.gz JIZUERVLONDWPM-UHFFFAOYSA-N 2 2 273.380 2.540 10 0 CFAELP COc1cccc(C2CC([NH2+][C@H]3CCC[N@H+](C)C3)C2)c1 ZINC000040672797 174371708 /nfs/dbraw/zinc/37/17/08/174371708.db2.gz WXKDSJHIIWTYOA-PCKAHOCUSA-N 2 2 274.408 2.625 10 0 CFAELP COc1cccc(C2CC([NH2+][C@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000040672797 174371709 /nfs/dbraw/zinc/37/17/09/174371709.db2.gz WXKDSJHIIWTYOA-PCKAHOCUSA-N 2 2 274.408 2.625 10 0 CFAELP CCOc1ccc([C@@H](C[NH3+])[NH+]2CCC(OCC)CC2)cc1 ZINC000040689133 174375778 /nfs/dbraw/zinc/37/57/78/174375778.db2.gz IERXABXLBLKXNJ-QGZVFWFLSA-N 2 2 292.423 2.586 10 0 CFAELP C[C@@H](c1cc(F)ccc1F)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040748973 174394126 /nfs/dbraw/zinc/39/41/26/174394126.db2.gz RHLIWWVMYBQMJX-SMHCIBLRSA-N 2 2 266.335 2.980 10 0 CFAELP C[C@@H](c1cc(F)ccc1F)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040748973 174394129 /nfs/dbraw/zinc/39/41/29/174394129.db2.gz RHLIWWVMYBQMJX-SMHCIBLRSA-N 2 2 266.335 2.980 10 0 CFAELP CC(C)(C)c1csc(C2([NH2+]C3CC3)CC[NH2+]CC2)n1 ZINC000041200825 174510021 /nfs/dbraw/zinc/51/00/21/174510021.db2.gz PAWLUXOWVYYEQR-UHFFFAOYSA-N 2 2 279.453 2.771 10 0 CFAELP COc1ccc(C(C)C)cc1[C@H](C)[C@@H](C[NH3+])[NH+](C)C ZINC000041379403 174538192 /nfs/dbraw/zinc/53/81/92/174538192.db2.gz RSCSAZBOLGTWNO-SWLSCSKDSA-N 2 2 264.413 2.811 10 0 CFAELP Cc1cccc([C@@H](C[NH3+])[N@@H+]2CCCSCC2)c1C ZINC000043314797 175004808 /nfs/dbraw/zinc/00/48/08/175004808.db2.gz XPHADPZYLFEJEO-OAHLLOKOSA-N 2 2 264.438 2.742 10 0 CFAELP Cc1cccc([C@@H](C[NH3+])[N@H+]2CCCSCC2)c1C ZINC000043314797 175004810 /nfs/dbraw/zinc/00/48/10/175004810.db2.gz XPHADPZYLFEJEO-OAHLLOKOSA-N 2 2 264.438 2.742 10 0 CFAELP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043325855 175007661 /nfs/dbraw/zinc/00/76/61/175007661.db2.gz CYHHSSSCEAMPLG-YPMHNXCESA-N 2 2 252.789 2.613 10 0 CFAELP C[N@H+](CCCc1ccccc1)[C@H](C[NH3+])c1ccco1 ZINC000043335230 175011521 /nfs/dbraw/zinc/01/15/21/175011521.db2.gz QADUJALAVMYFOI-OAHLLOKOSA-N 2 2 258.365 2.844 10 0 CFAELP C[N@@H+](CCCc1ccccc1)[C@H](C[NH3+])c1ccco1 ZINC000043335230 175011523 /nfs/dbraw/zinc/01/15/23/175011523.db2.gz QADUJALAVMYFOI-OAHLLOKOSA-N 2 2 258.365 2.844 10 0 CFAELP C[N@H+](CCCc1ccccc1)[C@H](C[NH3+])c1ccccn1 ZINC000043339454 175013986 /nfs/dbraw/zinc/01/39/86/175013986.db2.gz SCASKTSOBLCFNI-QGZVFWFLSA-N 2 2 269.392 2.646 10 0 CFAELP C[N@@H+](CCCc1ccccc1)[C@H](C[NH3+])c1ccccn1 ZINC000043339454 175013987 /nfs/dbraw/zinc/01/39/87/175013987.db2.gz SCASKTSOBLCFNI-QGZVFWFLSA-N 2 2 269.392 2.646 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@H+](CC1CC1)C(C)C ZINC000043340966 175015055 /nfs/dbraw/zinc/01/50/55/175015055.db2.gz VUCKBZIXOPIQLX-GOEBONIOSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+](CC1CC1)C(C)C ZINC000043340966 175015057 /nfs/dbraw/zinc/01/50/57/175015057.db2.gz VUCKBZIXOPIQLX-GOEBONIOSA-N 2 2 261.413 2.980 10 0 CFAELP CCC(CC)[N@H+](CCOC)[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348479 175018309 /nfs/dbraw/zinc/01/83/09/175018309.db2.gz MHOKCEMDCYQRJB-CZUORRHYSA-N 2 2 279.428 2.607 10 0 CFAELP CCC(CC)[N@@H+](CCOC)[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348479 175018310 /nfs/dbraw/zinc/01/83/10/175018310.db2.gz MHOKCEMDCYQRJB-CZUORRHYSA-N 2 2 279.428 2.607 10 0 CFAELP C[C@H]([NH3+])[C@H](c1cccnc1)n1cc[nH+]c1-c1ccccc1 ZINC000043348940 175019230 /nfs/dbraw/zinc/01/92/30/175019230.db2.gz DZYHMCZNORCKKO-XJKSGUPXSA-N 2 2 278.359 2.882 10 0 CFAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043364995 175026447 /nfs/dbraw/zinc/02/64/47/175026447.db2.gz LLXWIIGKFWUQCD-WBVHZDCISA-N 3 2 293.455 2.640 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@H](CC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811543 175111050 /nfs/dbraw/zinc/11/10/50/175111050.db2.gz MXRORIQMXXYMHB-XGUBFFRZSA-N 2 2 256.434 2.652 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@H](CC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811543 175111051 /nfs/dbraw/zinc/11/10/51/175111051.db2.gz MXRORIQMXXYMHB-XGUBFFRZSA-N 2 2 256.434 2.652 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000043818714 175113822 /nfs/dbraw/zinc/11/38/22/175113822.db2.gz COBCWPMQEUPVMN-IRXDYDNUSA-N 2 2 275.440 2.867 10 0 CFAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818714 175113823 /nfs/dbraw/zinc/11/38/23/175113823.db2.gz COBCWPMQEUPVMN-IRXDYDNUSA-N 2 2 275.440 2.867 10 0 CFAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000043818803 175114185 /nfs/dbraw/zinc/11/41/85/175114185.db2.gz ZKEKKBIKGZFNRY-XIRDDKMYSA-N 2 2 275.440 2.723 10 0 CFAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818803 175114186 /nfs/dbraw/zinc/11/41/86/175114186.db2.gz ZKEKKBIKGZFNRY-XIRDDKMYSA-N 2 2 275.440 2.723 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](C)Cc1cccnc1 ZINC000043893602 175118639 /nfs/dbraw/zinc/11/86/39/175118639.db2.gz JXEZKHDOCZNIPU-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](C)Cc1cccnc1 ZINC000043893602 175118640 /nfs/dbraw/zinc/11/86/40/175118640.db2.gz JXEZKHDOCZNIPU-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900102 175121953 /nfs/dbraw/zinc/12/19/53/175121953.db2.gz BNVMOIUSFHANKI-HZMVEIRTSA-N 2 2 280.456 2.656 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900102 175121954 /nfs/dbraw/zinc/12/19/54/175121954.db2.gz BNVMOIUSFHANKI-HZMVEIRTSA-N 2 2 280.456 2.656 10 0 CFAELP CC[NH2+][C@H](CC)[C@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911608 175123825 /nfs/dbraw/zinc/12/38/25/175123825.db2.gz GSUDGMMGYSGHDL-XJKSGUPXSA-N 2 2 264.413 2.904 10 0 CFAELP CC[NH2+][C@H](CC)[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911608 175123826 /nfs/dbraw/zinc/12/38/26/175123826.db2.gz GSUDGMMGYSGHDL-XJKSGUPXSA-N 2 2 264.413 2.904 10 0 CFAELP CC[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)[N@H+](C)CCOC ZINC000043915955 175125267 /nfs/dbraw/zinc/12/52/67/175125267.db2.gz IOGJZSSPINNMDV-GDBMZVCRSA-N 2 2 264.413 2.612 10 0 CFAELP CC[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)[N@@H+](C)CCOC ZINC000043915955 175125269 /nfs/dbraw/zinc/12/52/69/175125269.db2.gz IOGJZSSPINNMDV-GDBMZVCRSA-N 2 2 264.413 2.612 10 0 CFAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966555 175128188 /nfs/dbraw/zinc/12/81/88/175128188.db2.gz JVNOTKVFBNQZLN-UGUYLWEFSA-N 2 2 268.445 2.654 10 0 CFAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966555 175128189 /nfs/dbraw/zinc/12/81/89/175128189.db2.gz JVNOTKVFBNQZLN-UGUYLWEFSA-N 2 2 268.445 2.654 10 0 CFAELP CC[NH2+][C@H](C[N@H+](CC)CCOC)c1cc(C)ccc1C ZINC000043968666 175129721 /nfs/dbraw/zinc/12/97/21/175129721.db2.gz YYCNYWKAWLPROU-QGZVFWFLSA-N 2 2 278.440 2.922 10 0 CFAELP CC[NH2+][C@H](C[N@@H+](CC)CCOC)c1cc(C)ccc1C ZINC000043968666 175129723 /nfs/dbraw/zinc/12/97/23/175129723.db2.gz YYCNYWKAWLPROU-QGZVFWFLSA-N 2 2 278.440 2.922 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@H]1[N@H+](CCOC)C1CC1 ZINC000043969918 175131547 /nfs/dbraw/zinc/13/15/47/175131547.db2.gz JLFLYDKUXMVQPR-JKSUJKDBSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@H]1CCCCCC[C@H]1[N@@H+](CCOC)C1CC1 ZINC000043969918 175131548 /nfs/dbraw/zinc/13/15/48/175131548.db2.gz JLFLYDKUXMVQPR-JKSUJKDBSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@H]1[N@H+](C)[C@@H](C)C(C)(C)C ZINC000043979510 175133416 /nfs/dbraw/zinc/13/34/16/175133416.db2.gz YARCZDBMENVIHJ-BFHYXJOUSA-N 2 2 256.434 2.510 10 0 CFAELP CCC[NH2+][C@@H]1CCOC[C@H]1[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000043979510 175133418 /nfs/dbraw/zinc/13/34/18/175133418.db2.gz YARCZDBMENVIHJ-BFHYXJOUSA-N 2 2 256.434 2.510 10 0 CFAELP CC[N@H+](C[C@H]([NH2+]C)c1ccccc1C)[C@@H](C)COC ZINC000043981030 175134293 /nfs/dbraw/zinc/13/42/93/175134293.db2.gz JCSYZWLBQGZBBN-HOCLYGCPSA-N 2 2 264.413 2.612 10 0 CFAELP CC[N@@H+](C[C@H]([NH2+]C)c1ccccc1C)[C@@H](C)COC ZINC000043981030 175134294 /nfs/dbraw/zinc/13/42/94/175134294.db2.gz JCSYZWLBQGZBBN-HOCLYGCPSA-N 2 2 264.413 2.612 10 0 CFAELP CCOc1ccc([C@H](C)[NH2+]C)cc1Cn1cc[nH+]c1 ZINC000043992823 175135845 /nfs/dbraw/zinc/13/58/45/175135845.db2.gz COJROKQKBUIJBE-LBPRGKRZSA-N 2 2 259.353 2.611 10 0 CFAELP C[NH2+][C@H](Cn1cc[nH+]c1C(C)C)c1ccc2c(c1)OCO2 ZINC000043997970 175136973 /nfs/dbraw/zinc/13/69/73/175136973.db2.gz OINQBOAZCYKYKC-CYBMUJFWSA-N 2 2 287.363 2.696 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@H]1n1c[nH+]c2cc(C)c(C)cc21 ZINC000043996649 175137312 /nfs/dbraw/zinc/13/73/12/175137312.db2.gz IJVQASWTOJKRGP-WMLDXEAASA-N 2 2 287.407 2.983 10 0 CFAELP CC[NH+]1CCC(CNc2ccc3cc(N)ccc3[nH+]2)CC1 ZINC000044517041 175190347 /nfs/dbraw/zinc/19/03/47/175190347.db2.gz GVZAHJIWIJRPAS-UHFFFAOYSA-N 2 2 284.407 2.961 10 0 CFAELP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1c(F)cccc1F ZINC000044535391 175198928 /nfs/dbraw/zinc/19/89/28/175198928.db2.gz QWNSFZWAKWIPMZ-NWDGAFQWSA-N 2 2 268.351 2.957 10 0 CFAELP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1c(F)cccc1F ZINC000044535391 175198931 /nfs/dbraw/zinc/19/89/31/175198931.db2.gz QWNSFZWAKWIPMZ-NWDGAFQWSA-N 2 2 268.351 2.957 10 0 CFAELP COc1ccc([C@H](C)[N@@H+]2CCCC[C@@H]2C[NH3+])c(OC)c1 ZINC000044540331 175200606 /nfs/dbraw/zinc/20/06/06/175200606.db2.gz NLHKIOBRWAVMHV-QWHCGFSZSA-N 2 2 278.396 2.578 10 0 CFAELP COc1ccc([C@H](C)[N@H+]2CCCC[C@@H]2C[NH3+])c(OC)c1 ZINC000044540331 175200607 /nfs/dbraw/zinc/20/06/07/175200607.db2.gz NLHKIOBRWAVMHV-QWHCGFSZSA-N 2 2 278.396 2.578 10 0 CFAELP COc1ccc(C)cc1[C@@H](C)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539559 175200739 /nfs/dbraw/zinc/20/07/39/175200739.db2.gz LWKNYKCWSLBDEG-ZIAGYGMSSA-N 2 2 262.397 2.878 10 0 CFAELP COc1ccc(C)cc1[C@@H](C)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539559 175200741 /nfs/dbraw/zinc/20/07/41/175200741.db2.gz LWKNYKCWSLBDEG-ZIAGYGMSSA-N 2 2 262.397 2.878 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@@H+]1CCCOc1ccc(Cl)cc1 ZINC000044557982 175203201 /nfs/dbraw/zinc/20/32/01/175203201.db2.gz KTVFHVSVKDNRCZ-CQSZACIVSA-N 2 2 282.815 2.922 10 0 CFAELP [NH3+]C[C@H]1CCCC[N@H+]1CCCOc1ccc(Cl)cc1 ZINC000044557982 175203202 /nfs/dbraw/zinc/20/32/02/175203202.db2.gz KTVFHVSVKDNRCZ-CQSZACIVSA-N 2 2 282.815 2.922 10 0 CFAELP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000044561681 175205047 /nfs/dbraw/zinc/20/50/47/175205047.db2.gz RRLRFDYKHMTIJR-HOCLYGCPSA-N 2 2 276.424 2.787 10 0 CFAELP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000044561681 175205048 /nfs/dbraw/zinc/20/50/48/175205048.db2.gz RRLRFDYKHMTIJR-HOCLYGCPSA-N 2 2 276.424 2.787 10 0 CFAELP Cc1nc(C[N@H+](C)C[C@H](C[NH3+])c2ccccc2)cs1 ZINC000044608667 175216169 /nfs/dbraw/zinc/21/61/69/175216169.db2.gz QBHGYCMPZLBVFH-AWEZNQCLSA-N 2 2 275.421 2.626 10 0 CFAELP Cc1nc(C[N@@H+](C)C[C@H](C[NH3+])c2ccccc2)cs1 ZINC000044608667 175216172 /nfs/dbraw/zinc/21/61/72/175216172.db2.gz QBHGYCMPZLBVFH-AWEZNQCLSA-N 2 2 275.421 2.626 10 0 CFAELP Nc1cc2ccccc2cc1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044679463 175228761 /nfs/dbraw/zinc/22/87/61/175228761.db2.gz STGGQKCHLZRUJI-INIZCTEOSA-N 2 2 281.403 2.748 10 0 CFAELP Nc1cc2ccccc2cc1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044679463 175228762 /nfs/dbraw/zinc/22/87/62/175228762.db2.gz STGGQKCHLZRUJI-INIZCTEOSA-N 2 2 281.403 2.748 10 0 CFAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747289 175243210 /nfs/dbraw/zinc/24/32/10/175243210.db2.gz LTFJLKRMSVQLNB-WBMJQRKESA-N 2 2 271.364 2.644 10 0 CFAELP C[N@H+](CC(C)(C)C)[C@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000045070046 175300942 /nfs/dbraw/zinc/30/09/42/175300942.db2.gz GRBBCGZGZOUOBP-CQSZACIVSA-N 2 2 292.423 2.826 10 0 CFAELP C[N@@H+](CC(C)(C)C)[C@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000045070046 175300943 /nfs/dbraw/zinc/30/09/43/175300943.db2.gz GRBBCGZGZOUOBP-CQSZACIVSA-N 2 2 292.423 2.826 10 0 CFAELP CCC[NH+]1CCC(CN)([N@@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000045071349 175301081 /nfs/dbraw/zinc/30/10/81/175301081.db2.gz AKQBATSWIPFPIC-KRWDZBQOSA-N 2 2 293.499 2.844 10 0 CFAELP CCC[NH+]1CCC(CN)([N@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000045071349 175301082 /nfs/dbraw/zinc/30/10/82/175301082.db2.gz AKQBATSWIPFPIC-KRWDZBQOSA-N 2 2 293.499 2.844 10 0 CFAELP Nc1[nH+]c2cccc(Cl)c2n1CCCCn1cc[nH+]c1 ZINC000045108605 175308760 /nfs/dbraw/zinc/30/87/60/175308760.db2.gz AXGZZDXVNNHJSN-UHFFFAOYSA-N 2 2 289.770 2.949 10 0 CFAELP CC1(C)C[C@H]1[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000045117952 175311622 /nfs/dbraw/zinc/31/16/22/175311622.db2.gz CTGYPGHHXGSZAO-JKSUJKDBSA-N 2 2 258.409 2.692 10 0 CFAELP CC1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000045117952 175311624 /nfs/dbraw/zinc/31/16/24/175311624.db2.gz CTGYPGHHXGSZAO-JKSUJKDBSA-N 2 2 258.409 2.692 10 0 CFAELP CCn1nc(C)c(-c2c[nH]c(C3CCC([NH3+])CC3)[nH+]2)c1C ZINC000045169547 175320570 /nfs/dbraw/zinc/32/05/70/175320570.db2.gz KPQSWBWPHFAUQL-UHFFFAOYSA-N 2 2 287.411 2.895 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045367527 175363023 /nfs/dbraw/zinc/36/30/23/175363023.db2.gz QAXKZAKSMARTOT-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[N@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045367527 175363024 /nfs/dbraw/zinc/36/30/24/175363024.db2.gz QAXKZAKSMARTOT-HOCLYGCPSA-N 2 2 284.444 2.572 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@@H+]1CCC[C@@H]1CC)[NH2+]C(C)C ZINC000045367554 175363036 /nfs/dbraw/zinc/36/30/36/175363036.db2.gz YPLUTRHIHKXWFW-RDJZCZTQSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@H+]1CCC[C@@H]1CC)[NH2+]C(C)C ZINC000045367554 175363038 /nfs/dbraw/zinc/36/30/38/175363038.db2.gz YPLUTRHIHKXWFW-RDJZCZTQSA-N 2 2 298.471 2.961 10 0 CFAELP CC[NH2+][C@@](C)(CCC[NH+]1CCCCCCC1)C(=O)OCC ZINC000045371599 175364239 /nfs/dbraw/zinc/36/42/39/175364239.db2.gz ULBNGQJLOSTMKD-KRWDZBQOSA-N 2 2 298.471 2.964 10 0 CFAELP CCC[NH2+][C@](C)(CCC[NH+]1CCCCCC1)C(=O)OCC ZINC000045377545 175366858 /nfs/dbraw/zinc/36/68/58/175366858.db2.gz IFHFQZMTDASNRK-QGZVFWFLSA-N 2 2 298.471 2.964 10 0 CFAELP COC(=O)[C@@](C)(CCC[NH+]1CCCCCC1)[NH2+]C(C)C ZINC000045377552 175366911 /nfs/dbraw/zinc/36/69/11/175366911.db2.gz SWQGRXPIFHILFC-MRXNPFEDSA-N 2 2 284.444 2.572 10 0 CFAELP CC[N@H+](CCCC[C@@](C)([NH3+])C(=O)OC)c1ccccc1 ZINC000045379874 175369109 /nfs/dbraw/zinc/36/91/09/175369109.db2.gz UCURQTJCWQKOOQ-MRXNPFEDSA-N 2 2 278.396 2.574 10 0 CFAELP CC[N@@H+](CCCC[C@@](C)([NH3+])C(=O)OC)c1ccccc1 ZINC000045379874 175369111 /nfs/dbraw/zinc/36/91/11/175369111.db2.gz UCURQTJCWQKOOQ-MRXNPFEDSA-N 2 2 278.396 2.574 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@H+](C)C1CCCC1)[NH2+]C1CC1 ZINC000045384953 175372221 /nfs/dbraw/zinc/37/22/21/175372221.db2.gz GAAPVUAXSYIUKR-KRWDZBQOSA-N 2 2 296.455 2.715 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@@H+](C)C1CCCC1)[NH2+]C1CC1 ZINC000045384953 175372222 /nfs/dbraw/zinc/37/22/22/175372222.db2.gz GAAPVUAXSYIUKR-KRWDZBQOSA-N 2 2 296.455 2.715 10 0 CFAELP CCC[N@H+](CC)CCCC[C@@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045386981 175372860 /nfs/dbraw/zinc/37/28/60/175372860.db2.gz GKIKUKIOLZUPKS-QGZVFWFLSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[N@@H+](CC)CCCC[C@@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045386981 175372861 /nfs/dbraw/zinc/37/28/61/175372861.db2.gz GKIKUKIOLZUPKS-QGZVFWFLSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)OCC)C1CC1 ZINC000045387677 175374171 /nfs/dbraw/zinc/37/41/71/175374171.db2.gz RJSYNFCGQHNVPV-QGZVFWFLSA-N 2 2 296.455 2.715 10 0 CFAELP CCC[N@@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)OCC)C1CC1 ZINC000045387677 175374172 /nfs/dbraw/zinc/37/41/72/175374172.db2.gz RJSYNFCGQHNVPV-QGZVFWFLSA-N 2 2 296.455 2.715 10 0 CFAELP COC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)C(C)(C)C)[NH2+]C1CC1 ZINC000045421039 175379751 /nfs/dbraw/zinc/37/97/51/175379751.db2.gz BIHJVKOFJZORRA-GUYCJALGSA-N 2 2 298.471 2.817 10 0 CFAELP COC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)(C)C)[NH2+]C1CC1 ZINC000045421039 175379752 /nfs/dbraw/zinc/37/97/52/175379752.db2.gz BIHJVKOFJZORRA-GUYCJALGSA-N 2 2 298.471 2.817 10 0 CFAELP Cc1ccc(-c2nc(N[C@H]3CCC[NH2+]C3)cc(C)[nH+]2)cc1 ZINC000070456418 175940318 /nfs/dbraw/zinc/94/03/18/175940318.db2.gz DFBVNJXQNBALQE-HNNXBMFYSA-N 2 2 282.391 2.924 10 0 CFAELP CCCOc1ccc([C@H]([C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000071594601 176217764 /nfs/dbraw/zinc/21/77/64/176217764.db2.gz RUHSYNBCOXEDAT-CJNGLKHVSA-N 2 2 262.397 2.960 10 0 CFAELP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000261627024 278000935 /nfs/dbraw/zinc/00/09/35/278000935.db2.gz ASCMEQNITLVEIK-BLLLJJGKSA-N 2 2 270.376 2.770 10 0 CFAELP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000261627024 278000938 /nfs/dbraw/zinc/00/09/38/278000938.db2.gz ASCMEQNITLVEIK-BLLLJJGKSA-N 2 2 270.376 2.770 10 0 CFAELP COC[C@H](C)C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000187755398 324001881 /nfs/dbraw/zinc/00/18/81/324001881.db2.gz AZOJZVWDRVDICR-SJLPKXTDSA-N 2 2 290.451 2.913 10 0 CFAELP COC[C@H](C)C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000187755398 324001886 /nfs/dbraw/zinc/00/18/86/324001886.db2.gz AZOJZVWDRVDICR-SJLPKXTDSA-N 2 2 290.451 2.913 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000226587823 519341621 /nfs/dbraw/zinc/34/16/21/519341621.db2.gz IBCGIDJHUJUGFC-BZUAXINKSA-N 2 2 270.461 2.756 10 0 CFAELP CC(C)[NH2+]Cc1nc(C[N@@H+]2CCCSCC2)cs1 ZINC000052370950 519729209 /nfs/dbraw/zinc/72/92/09/519729209.db2.gz HRNMLXUVBOFZKM-UHFFFAOYSA-N 2 2 285.482 2.580 10 0 CFAELP CC(C)[NH2+]Cc1nc(C[N@H+]2CCCSCC2)cs1 ZINC000052370950 519729210 /nfs/dbraw/zinc/72/92/10/519729210.db2.gz HRNMLXUVBOFZKM-UHFFFAOYSA-N 2 2 285.482 2.580 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@@H](C[NH3+])c1cc(OC)cc(OC)c1 ZINC000069429474 521309231 /nfs/dbraw/zinc/30/92/31/521309231.db2.gz IYIZDOPUUAUDKQ-HNNXBMFYSA-N 2 2 280.412 2.824 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@@H](C[NH3+])c1cc(OC)cc(OC)c1 ZINC000069429474 521309236 /nfs/dbraw/zinc/30/92/36/521309236.db2.gz IYIZDOPUUAUDKQ-HNNXBMFYSA-N 2 2 280.412 2.824 10 0 CFAELP CC(C)(C)[NH2+]Cc1ccc(C[N@@H+]2CCOC(C)(C)C2)o1 ZINC000052481796 518765062 /nfs/dbraw/zinc/76/50/62/518765062.db2.gz BTPCJVIQMCLBHT-UHFFFAOYSA-N 2 2 280.412 2.779 10 0 CFAELP CC(C)(C)[NH2+]Cc1ccc(C[N@H+]2CCOC(C)(C)C2)o1 ZINC000052481796 518765074 /nfs/dbraw/zinc/76/50/74/518765074.db2.gz BTPCJVIQMCLBHT-UHFFFAOYSA-N 2 2 280.412 2.779 10 0 CFAELP FC(F)(F)CCC[N@@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000096441156 534379855 /nfs/dbraw/zinc/37/98/55/534379855.db2.gz JPHFDOYIIPLBRV-LBPRGKRZSA-N 2 2 275.318 2.938 10 0 CFAELP FC(F)(F)CCC[N@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000096441156 534379863 /nfs/dbraw/zinc/37/98/63/534379863.db2.gz JPHFDOYIIPLBRV-LBPRGKRZSA-N 2 2 275.318 2.938 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000226587836 519342536 /nfs/dbraw/zinc/34/25/36/519342536.db2.gz IBCGIDJHUJUGFC-ARFHVFGLSA-N 2 2 270.461 2.756 10 0 CFAELP CC(C)C1CCC(C[NH3+])([NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000054556938 519560012 /nfs/dbraw/zinc/56/00/12/519560012.db2.gz CIFOPNHLSDEWHW-WXLSXGNJSA-N 2 2 268.445 2.639 10 0 CFAELP CC(C)[NH2+]CC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417352 519722207 /nfs/dbraw/zinc/72/22/07/519722207.db2.gz DWGSSWYLUYRFLL-INIZCTEOSA-N 2 2 275.440 2.585 10 0 CFAELP CC(C)C[NH2+]Cc1occc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000052380912 519749361 /nfs/dbraw/zinc/74/93/61/519749361.db2.gz LYMJGRQXLRQOPE-ZIAGYGMSSA-N 2 2 280.412 2.634 10 0 CFAELP CC(C)C[C@@H](C[NH+](C)C)n1c(N)[nH+]c2c1cccc2F ZINC000049559077 519776204 /nfs/dbraw/zinc/77/62/04/519776204.db2.gz HBOXBIJNKXDSSN-NSHDSACASA-N 2 2 278.375 2.906 10 0 CFAELP CC(C)C[C@@H](C[NH+](C)C)Nc1[nH]c2ccccc2[nH+]1 ZINC000049558077 519776320 /nfs/dbraw/zinc/77/63/20/519776320.db2.gz PZGILVPWLNFQMF-LBPRGKRZSA-N 2 2 260.385 2.951 10 0 CFAELP CC(C)[C@H](C[NH+](C)C)[NH2+]Cc1ccc2ncccc2c1 ZINC000049216367 519814616 /nfs/dbraw/zinc/81/46/16/519814616.db2.gz MTVVEMBEWSGMAI-KRWDZBQOSA-N 2 2 271.408 2.911 10 0 CFAELP CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCC[NH2+]1 ZINC000062624016 519826895 /nfs/dbraw/zinc/82/68/95/519826895.db2.gz ASIWFCYWDDCLEQ-OAHLLOKOSA-N 2 2 250.361 2.646 10 0 CFAELP CCCC1CC[NH+]([C@H](c2ccccn2)[C@H](C)[NH3+])CC1 ZINC000050893009 519903318 /nfs/dbraw/zinc/90/33/18/519903318.db2.gz PPGQRQXZDDFXAA-BBRMVZONSA-N 2 2 261.413 2.982 10 0 CFAELP CC[NH2+]Cc1coc(C[NH+]2Cc3ccccc3C2)c1 ZINC000052374432 520018964 /nfs/dbraw/zinc/01/89/64/520018964.db2.gz ZHSDUPWMQRNHPG-UHFFFAOYSA-N 2 2 256.349 2.905 10 0 CFAELP CC1(C)CC[NH+]([C@@H](C[NH3+])c2ccccc2F)CC1 ZINC000061818507 520382993 /nfs/dbraw/zinc/38/29/93/520382993.db2.gz QEVROFQISMQMMB-AWEZNQCLSA-N 2 2 250.361 2.948 10 0 CFAELP CCC(C)(C)[N@H+](C)[C@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000069430166 521309370 /nfs/dbraw/zinc/30/93/70/521309370.db2.gz JWEARXSSPRNWPV-CQSZACIVSA-N 2 2 292.423 2.968 10 0 CFAELP CCC(C)(C)[N@@H+](C)[C@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000069430166 521309377 /nfs/dbraw/zinc/30/93/77/521309377.db2.gz JWEARXSSPRNWPV-CQSZACIVSA-N 2 2 292.423 2.968 10 0 CFAELP CC[N@H+](Cc1cccs1)[C@@]1(C[NH3+])CCCSC1 ZINC000061590170 521410724 /nfs/dbraw/zinc/41/07/24/521410724.db2.gz CYLPZEZEQXDZOE-CYBMUJFWSA-N 2 2 270.467 2.795 10 0 CFAELP CC[N@@H+](Cc1cccs1)[C@@]1(C[NH3+])CCCSC1 ZINC000061590170 521410730 /nfs/dbraw/zinc/41/07/30/521410730.db2.gz CYLPZEZEQXDZOE-CYBMUJFWSA-N 2 2 270.467 2.795 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000233486330 521650185 /nfs/dbraw/zinc/65/01/85/521650185.db2.gz WTJRAARDYSORMF-WMLDXEAASA-N 2 2 274.408 2.844 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000233486330 521650189 /nfs/dbraw/zinc/65/01/89/521650189.db2.gz WTJRAARDYSORMF-WMLDXEAASA-N 2 2 274.408 2.844 10 0 CFAELP CCC[N@H+](CCCCCO)C1(C[NH3+])CCCCCC1 ZINC000051020390 521652123 /nfs/dbraw/zinc/65/21/23/521652123.db2.gz JOTXCFBCIFQCCI-UHFFFAOYSA-N 2 2 270.461 2.913 10 0 CFAELP CCC[N@@H+](CCCCCO)C1(C[NH3+])CCCCCC1 ZINC000051020390 521652126 /nfs/dbraw/zinc/65/21/26/521652126.db2.gz JOTXCFBCIFQCCI-UHFFFAOYSA-N 2 2 270.461 2.913 10 0 CFAELP CCOC1CC[NH+](CC[NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC000053389320 521656352 /nfs/dbraw/zinc/65/63/52/521656352.db2.gz YZXYIUSMYHPCPU-CABCVRRESA-N 2 2 268.445 2.656 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000328516935 521715344 /nfs/dbraw/zinc/71/53/44/521715344.db2.gz PXKMGLUVUIWGOG-CMPLNLGQSA-N 2 2 254.324 2.710 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000328516935 521715345 /nfs/dbraw/zinc/71/53/45/521715345.db2.gz PXKMGLUVUIWGOG-CMPLNLGQSA-N 2 2 254.324 2.710 10 0 CFAELP C[NH2+]Cc1cc(C)c(OCCCn2cc[nH+]c2)c(C)c1 ZINC000049327134 522104397 /nfs/dbraw/zinc/10/43/97/522104397.db2.gz SIZCSMJNXGHKBH-UHFFFAOYSA-N 2 2 273.380 2.688 10 0 CFAELP CC[C@@H]([NH3+])Cc1cccc(OCCCn2cc[nH+]c2)c1 ZINC000049329008 522644663 /nfs/dbraw/zinc/64/46/63/522644663.db2.gz WSKBRNHLIUZFAY-OAHLLOKOSA-N 2 2 273.380 2.632 10 0 CFAELP COC1CC[NH+](C2(C[NH3+])CCC(C(F)(F)F)CC2)CC1 ZINC000069374330 522701629 /nfs/dbraw/zinc/70/16/29/522701629.db2.gz AWQACLYPNXHWTJ-UHFFFAOYSA-N 2 2 294.361 2.547 10 0 CFAELP COC1CC[NH+]([C@H](C[NH2+]C2CC2)c2ccccc2)CC1 ZINC000052455498 522707614 /nfs/dbraw/zinc/70/76/14/522707614.db2.gz VCZGHMQTJJPUFC-QGZVFWFLSA-N 2 2 274.408 2.591 10 0 CFAELP COC1CC[NH+]([C@]2(C[NH3+])CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000069383306 522710473 /nfs/dbraw/zinc/71/04/73/522710473.db2.gz UKAGXPPLSVXRRF-DGCLKSJQSA-N 2 2 294.361 2.547 10 0 CFAELP CC[C@](C)(C[NH2+]C(C)C)C[N@@H+]1CCOCC1(C)C ZINC000051255872 523464169 /nfs/dbraw/zinc/46/41/69/523464169.db2.gz DEVVJRQRFOWAGU-OAHLLOKOSA-N 2 2 256.434 2.512 10 0 CFAELP CC[C@](C)(C[NH2+]C(C)C)C[N@H+]1CCOCC1(C)C ZINC000051255872 523464175 /nfs/dbraw/zinc/46/41/75/523464175.db2.gz DEVVJRQRFOWAGU-OAHLLOKOSA-N 2 2 256.434 2.512 10 0 CFAELP CCn1nc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000231465649 523675853 /nfs/dbraw/zinc/67/58/53/523675853.db2.gz CZBPYZLONBYSEE-AWEZNQCLSA-N 2 2 286.423 2.630 10 0 CFAELP CCn1nc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000231465649 523675861 /nfs/dbraw/zinc/67/58/61/523675861.db2.gz CZBPYZLONBYSEE-AWEZNQCLSA-N 2 2 286.423 2.630 10 0 CFAELP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000049553094 524167295 /nfs/dbraw/zinc/16/72/95/524167295.db2.gz FONYXNMHIUYTNF-MNOVXSKESA-N 2 2 256.340 2.956 10 0 CFAELP C[C@H](CC[NH2+]C(C)(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417356 524193255 /nfs/dbraw/zinc/19/32/55/524193255.db2.gz XJGDUYQAERVCSZ-MRXNPFEDSA-N 2 2 289.467 2.975 10 0 CFAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccc3c(c2)OCO3)[C@@H]1C ZINC000050563954 524243605 /nfs/dbraw/zinc/24/36/05/524243605.db2.gz DNDNICDDFKPZOO-BZPMIXESSA-N 2 2 276.380 2.536 10 0 CFAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc3c(c2)OCO3)[C@@H]1C ZINC000050563954 524243613 /nfs/dbraw/zinc/24/36/13/524243613.db2.gz DNDNICDDFKPZOO-BZPMIXESSA-N 2 2 276.380 2.536 10 0 CFAELP Cc1ccc(C[N@@H+](C)[C@@H](C[NH2+]C2CC2)C(C)C)o1 ZINC000052455573 524397127 /nfs/dbraw/zinc/39/71/27/524397127.db2.gz SAMORYWYBZBQQL-HNNXBMFYSA-N 2 2 250.386 2.796 10 0 CFAELP Cc1ccc(C[N@H+](C)[C@@H](C[NH2+]C2CC2)C(C)C)o1 ZINC000052455573 524397138 /nfs/dbraw/zinc/39/71/38/524397138.db2.gz SAMORYWYBZBQQL-HNNXBMFYSA-N 2 2 250.386 2.796 10 0 CFAELP C[C@@H](CC[NH+](C)C)Nc1ccc2cc(N)ccc2[nH+]1 ZINC000049555381 524479795 /nfs/dbraw/zinc/47/97/95/524479795.db2.gz ZJVJICWDWDANPH-NSHDSACASA-N 2 2 258.369 2.569 10 0 CFAELP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)CCC[NH2+]1 ZINC000051017755 524510791 /nfs/dbraw/zinc/51/07/91/524510791.db2.gz DSFNDOVOAJKPNB-LLVKDONJSA-N 2 2 254.324 2.539 10 0 CFAELP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)CCC[NH2+]1 ZINC000051017755 524510799 /nfs/dbraw/zinc/51/07/99/524510799.db2.gz DSFNDOVOAJKPNB-LLVKDONJSA-N 2 2 254.324 2.539 10 0 CFAELP C[C@@H](Cn1cc[nH+]c1)n1c(N)[nH+]c2cccc(Cl)c21 ZINC000049236348 524964056 /nfs/dbraw/zinc/96/40/56/524964056.db2.gz WZOXHVXPLQJSFW-VIFPVBQESA-N 2 2 275.743 2.730 10 0 CFAELP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000051017769 525104620 /nfs/dbraw/zinc/10/46/20/525104620.db2.gz WFLCQLYIBMODAO-NEPJUHHUSA-N 2 2 268.351 2.785 10 0 CFAELP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000051017769 525104621 /nfs/dbraw/zinc/10/46/21/525104621.db2.gz WFLCQLYIBMODAO-NEPJUHHUSA-N 2 2 268.351 2.785 10 0 CFAELP C[C@H]1c2ccsc2CC[N@H+]1Cc1cc[nH+]c(NN)c1 ZINC000052719136 525132730 /nfs/dbraw/zinc/13/27/30/525132730.db2.gz AJUSARMRPBWMHD-JTQLQIEISA-N 2 2 274.393 2.548 10 0 CFAELP C[C@H]1c2ccsc2CC[N@@H+]1Cc1cc[nH+]c(NN)c1 ZINC000052719136 525132736 /nfs/dbraw/zinc/13/27/36/525132736.db2.gz AJUSARMRPBWMHD-JTQLQIEISA-N 2 2 274.393 2.548 10 0 CFAELP COc1cccc(C[N@H+](C)[C@H](C)C[NH2+]CC(C)C)c1 ZINC000052372876 525916986 /nfs/dbraw/zinc/91/69/86/525916986.db2.gz SLQNEDIOYDAIPQ-CQSZACIVSA-N 2 2 264.413 2.761 10 0 CFAELP COc1cccc(C[N@@H+](C)[C@H](C)C[NH2+]CC(C)C)c1 ZINC000052372876 525916993 /nfs/dbraw/zinc/91/69/93/525916993.db2.gz SLQNEDIOYDAIPQ-CQSZACIVSA-N 2 2 264.413 2.761 10 0 CFAELP COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1F ZINC000192972794 525937808 /nfs/dbraw/zinc/93/78/08/525937808.db2.gz OENHZZKKOWYGDW-CQSZACIVSA-N 2 2 289.354 2.695 10 0 CFAELP COc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1F ZINC000192972794 525937811 /nfs/dbraw/zinc/93/78/11/525937811.db2.gz OENHZZKKOWYGDW-CQSZACIVSA-N 2 2 289.354 2.695 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2)C1 ZINC000133037435 529060019 /nfs/dbraw/zinc/06/00/19/529060019.db2.gz SBJXODAGYVKHGJ-XJKSGUPXSA-N 2 2 264.388 2.831 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2)C1 ZINC000133037435 529060022 /nfs/dbraw/zinc/06/00/22/529060022.db2.gz SBJXODAGYVKHGJ-XJKSGUPXSA-N 2 2 264.388 2.831 10 0 CFAELP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000262075180 618015774 /nfs/dbraw/zinc/01/57/74/618015774.db2.gz SLGLOCJNRVGNFM-GXFFZTMASA-N 2 2 272.314 2.793 10 0 CFAELP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000262075180 618015775 /nfs/dbraw/zinc/01/57/75/618015775.db2.gz SLGLOCJNRVGNFM-GXFFZTMASA-N 2 2 272.314 2.793 10 0 CFAELP CO[C@@H]1C[C@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C12CCC2 ZINC000308394735 618208073 /nfs/dbraw/zinc/20/80/73/618208073.db2.gz OJZSDXKFQQLKKI-SOUVJXGZSA-N 2 2 268.445 2.510 10 0 CFAELP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235332278 618247624 /nfs/dbraw/zinc/24/76/24/618247624.db2.gz BZMAHRHUCBACIU-NRUUGDAUSA-N 2 2 288.313 2.925 10 0 CFAELP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235332278 618247626 /nfs/dbraw/zinc/24/76/26/618247626.db2.gz BZMAHRHUCBACIU-NRUUGDAUSA-N 2 2 288.313 2.925 10 0 CFAELP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000261553328 619169831 /nfs/dbraw/zinc/16/98/31/619169831.db2.gz ADVUUPVUAFVILL-JOYOIKCWSA-N 2 2 258.287 2.627 10 0 CFAELP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000261553328 619169833 /nfs/dbraw/zinc/16/98/33/619169833.db2.gz ADVUUPVUAFVILL-JOYOIKCWSA-N 2 2 258.287 2.627 10 0 CFAELP C[N@H+](Cc1cc(-c2ccccc2)on1)[C@@H]1CCC[NH2+]CC1 ZINC000226465996 623075900 /nfs/dbraw/zinc/07/59/00/623075900.db2.gz ZHPKTORDTYRTKI-MRXNPFEDSA-N 2 2 285.391 2.916 10 0 CFAELP C[N@@H+](Cc1cc(-c2ccccc2)on1)[C@@H]1CCC[NH2+]CC1 ZINC000226465996 623075909 /nfs/dbraw/zinc/07/59/09/623075909.db2.gz ZHPKTORDTYRTKI-MRXNPFEDSA-N 2 2 285.391 2.916 10 0 CFAELP C[C@H]([NH3+])c1c[nH+]c(Cc2ccc(Br)cc2)[nH]1 ZINC000082517164 178078642 /nfs/dbraw/zinc/07/86/42/178078642.db2.gz QBOCJSNCRNILBK-QMMMGPOBSA-N 2 2 280.169 2.783 10 0 CFAELP [NH3+]C[C@@]1([NH+](Cc2ccccc2)Cc2ccccc2)CCOC1 ZINC000095831371 185029693 /nfs/dbraw/zinc/02/96/93/185029693.db2.gz KBIFLDWHOGKKAL-IBGZPJMESA-N 2 2 296.414 2.807 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccccc1N(C)C ZINC000178325543 282217071 /nfs/dbraw/zinc/21/70/71/282217071.db2.gz OESYYMGEXLWFDT-QGZVFWFLSA-N 2 2 298.434 2.922 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccccc1N(C)C ZINC000178325543 282217074 /nfs/dbraw/zinc/21/70/74/282217074.db2.gz OESYYMGEXLWFDT-QGZVFWFLSA-N 2 2 298.434 2.922 10 0 CFAELP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccnc2ccccc12 ZINC000111763328 347756309 /nfs/dbraw/zinc/75/63/09/347756309.db2.gz DFROGAGODYYXRJ-OAHLLOKOSA-N 2 2 269.392 2.809 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000127391169 347841158 /nfs/dbraw/zinc/84/11/58/347841158.db2.gz GXFDQPFKBDMPLX-OCCSQVGLSA-N 2 2 255.365 2.717 10 0 CFAELP CC[N@@H+]1CCC[C@]([NH2+]C)(c2nc(C)c(C)s2)CC1 ZINC000086851399 179359341 /nfs/dbraw/zinc/35/93/41/179359341.db2.gz PBLDAJBJAAYGPU-CQSZACIVSA-N 2 2 267.442 2.680 10 0 CFAELP CC[N@H+]1CCC[C@]([NH2+]C)(c2nc(C)c(C)s2)CC1 ZINC000086851399 179359342 /nfs/dbraw/zinc/35/93/42/179359342.db2.gz PBLDAJBJAAYGPU-CQSZACIVSA-N 2 2 267.442 2.680 10 0 CFAELP C[C@@H]1CSC(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)=[NH+]1 ZINC000307163935 348396610 /nfs/dbraw/zinc/39/66/10/348396610.db2.gz JCXDEZZGZOGIMD-NFAWXSAZSA-N 2 2 289.448 2.730 10 0 CFAELP C[C@@H]1CSC(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)=[NH+]1 ZINC000307163935 348396616 /nfs/dbraw/zinc/39/66/16/348396616.db2.gz JCXDEZZGZOGIMD-NFAWXSAZSA-N 2 2 289.448 2.730 10 0 CFAELP [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccc[nH+]c1N1CCCC1 ZINC000089141383 179720147 /nfs/dbraw/zinc/72/01/47/179720147.db2.gz DSWDGCRGWHOHQY-KBPBESRZSA-N 2 2 274.412 2.611 10 0 CFAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cccc(Cl)c2)CC1 ZINC000616601460 352380467 /nfs/dbraw/zinc/38/04/67/352380467.db2.gz POCKHMRRKSBWAJ-GFCCVEGCSA-N 2 2 252.789 2.868 10 0 CFAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cccc(Cl)c2)CC1 ZINC000616601460 352380470 /nfs/dbraw/zinc/38/04/70/352380470.db2.gz POCKHMRRKSBWAJ-GFCCVEGCSA-N 2 2 252.789 2.868 10 0 CFAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cncc3ccccc32)CC1 ZINC000616602177 352380834 /nfs/dbraw/zinc/38/08/34/352380834.db2.gz YFEWBBQTZKKPCD-AWEZNQCLSA-N 2 2 269.392 2.763 10 0 CFAELP [NH3+]CC[N@H+]1CCC[C@H](c2cncc3ccccc32)CC1 ZINC000616602177 352380837 /nfs/dbraw/zinc/38/08/37/352380837.db2.gz YFEWBBQTZKKPCD-AWEZNQCLSA-N 2 2 269.392 2.763 10 0 CFAELP CNc1cccc([C@H]2c3ccccc3CC[N@H+]2CC[NH3+])c1 ZINC000616691071 352414606 /nfs/dbraw/zinc/41/46/06/352414606.db2.gz FOGBFGHWGKNNIC-SFHVURJKSA-N 2 2 281.403 2.635 10 0 CFAELP CNc1cccc([C@H]2c3ccccc3CC[N@@H+]2CC[NH3+])c1 ZINC000616691071 352414611 /nfs/dbraw/zinc/41/46/11/352414611.db2.gz FOGBFGHWGKNNIC-SFHVURJKSA-N 2 2 281.403 2.635 10 0 CFAELP Cc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000136079864 539878636 /nfs/dbraw/zinc/87/86/36/539878636.db2.gz GYEJYAUUUPHMRA-INIZCTEOSA-N 2 2 255.365 2.856 10 0 CFAELP Cc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000136079864 539878641 /nfs/dbraw/zinc/87/86/41/539878641.db2.gz GYEJYAUUUPHMRA-INIZCTEOSA-N 2 2 255.365 2.856 10 0 CFAELP CC(C)[C@@H]1C[NH2+][C@H](C)CN1c1ccc([NH+](C)C)cc1 ZINC000083449878 535264000 /nfs/dbraw/zinc/26/40/00/535264000.db2.gz VAXSTPMJENLWJX-CJNGLKHVSA-N 2 2 261.413 2.575 10 0 CFAELP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841308 355602967 /nfs/dbraw/zinc/60/29/67/355602967.db2.gz IYKSBJYEEAERSD-PWSUYJOCSA-N 2 2 291.420 2.738 10 0 CFAELP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841308 355602970 /nfs/dbraw/zinc/60/29/70/355602970.db2.gz IYKSBJYEEAERSD-PWSUYJOCSA-N 2 2 291.420 2.738 10 0 CFAELP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889021 355614497 /nfs/dbraw/zinc/61/44/97/355614497.db2.gz BMCWBICFLVGTGA-MJBXVCDLSA-N 2 2 272.383 2.886 10 0 CFAELP FC1(F)CCCC[C@@H]1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889021 355614499 /nfs/dbraw/zinc/61/44/99/355614499.db2.gz BMCWBICFLVGTGA-MJBXVCDLSA-N 2 2 272.383 2.886 10 0 CFAELP Cc1cc([C@H]2C[C@@H]([NH3+])CC[N@H+]2C)ccc1Br ZINC000675055510 540636599 /nfs/dbraw/zinc/63/65/99/540636599.db2.gz UONNVDJXWQJSCH-WCQYABFASA-N 2 2 283.213 2.852 10 0 CFAELP Cc1cc([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)ccc1Br ZINC000675055510 540636603 /nfs/dbraw/zinc/63/66/03/540636603.db2.gz UONNVDJXWQJSCH-WCQYABFASA-N 2 2 283.213 2.852 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC000178302097 189104291 /nfs/dbraw/zinc/10/42/91/189104291.db2.gz MOYGQIHYMVLLHG-INIZCTEOSA-N 2 2 287.411 2.634 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC000178302097 189104292 /nfs/dbraw/zinc/10/42/92/189104292.db2.gz MOYGQIHYMVLLHG-INIZCTEOSA-N 2 2 287.411 2.634 10 0 CFAELP Cc1nc(C)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)s1 ZINC000178336505 189108277 /nfs/dbraw/zinc/10/82/77/189108277.db2.gz VIXHTEPFKSZHMX-AWEZNQCLSA-N 2 2 290.436 2.929 10 0 CFAELP Cc1nc(C)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)s1 ZINC000178336505 189108278 /nfs/dbraw/zinc/10/82/78/189108278.db2.gz VIXHTEPFKSZHMX-AWEZNQCLSA-N 2 2 290.436 2.929 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000229641270 540774687 /nfs/dbraw/zinc/77/46/87/540774687.db2.gz YBSHPZDZTWXXTO-OAHLLOKOSA-N 2 2 257.381 2.742 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000229641270 540774689 /nfs/dbraw/zinc/77/46/89/540774689.db2.gz YBSHPZDZTWXXTO-OAHLLOKOSA-N 2 2 257.381 2.742 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000180132528 189238422 /nfs/dbraw/zinc/23/84/22/189238422.db2.gz DYKKBMOKVLUEBS-AWEZNQCLSA-N 2 2 261.394 2.918 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccsc1 ZINC000180132528 189238423 /nfs/dbraw/zinc/23/84/23/189238423.db2.gz DYKKBMOKVLUEBS-AWEZNQCLSA-N 2 2 261.394 2.918 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnn(C(C)C)c1 ZINC000180129200 189238477 /nfs/dbraw/zinc/23/84/77/189238477.db2.gz NURMFLIRQHZHND-INIZCTEOSA-N 2 2 287.411 2.634 10 0 CFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnn(C(C)C)c1 ZINC000180129200 189238478 /nfs/dbraw/zinc/23/84/78/189238478.db2.gz NURMFLIRQHZHND-INIZCTEOSA-N 2 2 287.411 2.634 10 0 CFAELP CC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)C ZINC000180574729 189263295 /nfs/dbraw/zinc/26/32/95/189263295.db2.gz WJNFBMZHFALNQI-ZIAGYGMSSA-N 2 2 291.443 2.511 10 0 CFAELP CCc1nnc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000180648652 189268229 /nfs/dbraw/zinc/26/82/29/189268229.db2.gz QZIWBHDKVSZNCF-GFCCVEGCSA-N 2 2 297.362 2.669 10 0 CFAELP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000311021597 541026814 /nfs/dbraw/zinc/02/68/14/541026814.db2.gz RBWGJQSHGSMCPT-GHMZBOCLSA-N 2 2 290.860 2.753 10 0 CFAELP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000311021597 541026818 /nfs/dbraw/zinc/02/68/18/541026818.db2.gz RBWGJQSHGSMCPT-GHMZBOCLSA-N 2 2 290.860 2.753 10 0 CFAELP C[N@H+](Cc1ccccc1-c1[nH]cc[nH+]1)C1CCOCC1 ZINC000019745324 372183730 /nfs/dbraw/zinc/18/37/30/372183730.db2.gz LHECYYIUVSIMDG-UHFFFAOYSA-N 2 2 271.364 2.688 10 0 CFAELP C[N@@H+](Cc1ccccc1-c1[nH]cc[nH+]1)C1CCOCC1 ZINC000019745324 372183735 /nfs/dbraw/zinc/18/37/35/372183735.db2.gz LHECYYIUVSIMDG-UHFFFAOYSA-N 2 2 271.364 2.688 10 0 CFAELP C[NH2+]C[C@H]1[NH2+]C[C@@H](c2ccccc2)c2ccccc21 ZINC000025965401 372310058 /nfs/dbraw/zinc/31/00/58/372310058.db2.gz UYHHYORUPUOBTL-DLBZAZTESA-N 2 2 252.361 2.682 10 0 CFAELP CC[C@@H](C)Oc1ccccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000041166564 372823678 /nfs/dbraw/zinc/82/36/78/372823678.db2.gz YRXAEGVSYLZPII-CQSZACIVSA-N 2 2 262.397 2.659 10 0 CFAELP CC[C@@H](C)Oc1ccccc1C[N@H+]1CCC[NH2+]CC1 ZINC000041166564 372823681 /nfs/dbraw/zinc/82/36/81/372823681.db2.gz YRXAEGVSYLZPII-CQSZACIVSA-N 2 2 262.397 2.659 10 0 CFAELP [NH3+]CCCCCc1[nH+]c2ccccc2n1C[C@H]1CCCO1 ZINC000053994568 373493159 /nfs/dbraw/zinc/49/31/59/373493159.db2.gz NTCJYUNZBQDPOV-CQSZACIVSA-N 2 2 287.407 2.887 10 0 CFAELP Cc1[nH+]c(-c2ccncc2)nc(NC[C@@H]2CCC[NH2+]C2)c1C ZINC000070456271 374179160 /nfs/dbraw/zinc/17/91/60/374179160.db2.gz PCNANJPZLSLZFK-CQSZACIVSA-N 2 2 297.406 2.567 10 0 CFAELP C[C@@H]([NH3+])[C@@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000090802016 375029265 /nfs/dbraw/zinc/02/92/65/375029265.db2.gz YTNKHVPJEMHARS-NXEZZACHSA-N 2 2 273.302 2.664 10 0 CFAELP Cc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)o1 ZINC000092812536 375157982 /nfs/dbraw/zinc/15/79/82/375157982.db2.gz LVZQTIJBMMDCNB-CQSZACIVSA-N 2 2 271.364 2.917 10 0 CFAELP Cc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)o1 ZINC000092812536 375157987 /nfs/dbraw/zinc/15/79/87/375157987.db2.gz LVZQTIJBMMDCNB-CQSZACIVSA-N 2 2 271.364 2.917 10 0 CFAELP Cc1cc(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000129815979 377476824 /nfs/dbraw/zinc/47/68/24/377476824.db2.gz NAUGIOLJBSXURW-FZMZJTMJSA-N 2 2 274.412 2.803 10 0 CFAELP Cc1cc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000129815979 377476837 /nfs/dbraw/zinc/47/68/37/377476837.db2.gz NAUGIOLJBSXURW-FZMZJTMJSA-N 2 2 274.412 2.803 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000171829032 379417232 /nfs/dbraw/zinc/41/72/32/379417232.db2.gz QWTFXZBWTLMDET-OAHLLOKOSA-N 2 2 277.412 2.509 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000171829032 379417237 /nfs/dbraw/zinc/41/72/37/379417237.db2.gz QWTFXZBWTLMDET-OAHLLOKOSA-N 2 2 277.412 2.509 10 0 CFAELP CCC[C@@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1cccnc1 ZINC000185105828 381537724 /nfs/dbraw/zinc/53/77/24/381537724.db2.gz IYAMSZCQEIVINJ-HZPDHXFCSA-N 2 2 261.413 2.997 10 0 CFAELP CCC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1cccnc1 ZINC000185105828 381537733 /nfs/dbraw/zinc/53/77/33/381537733.db2.gz IYAMSZCQEIVINJ-HZPDHXFCSA-N 2 2 261.413 2.997 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCc2cccc(C)c2)C1 ZINC000389194017 382613203 /nfs/dbraw/zinc/61/32/03/382613203.db2.gz WLKOVTOMPNSQPH-NVXWUHKLSA-N 2 2 260.425 3.000 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCc2cccc(C)c2)C1 ZINC000389194017 382613206 /nfs/dbraw/zinc/61/32/06/382613206.db2.gz WLKOVTOMPNSQPH-NVXWUHKLSA-N 2 2 260.425 3.000 10 0 CFAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC)C2)C12CCCCC2 ZINC000389318943 382614571 /nfs/dbraw/zinc/61/45/71/382614571.db2.gz HAHGVJNBSUZQIQ-BZUAXINKSA-N 2 2 280.456 2.798 10 0 CFAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC)C2)C12CCCCC2 ZINC000389318943 382614575 /nfs/dbraw/zinc/61/45/75/382614575.db2.gz HAHGVJNBSUZQIQ-BZUAXINKSA-N 2 2 280.456 2.798 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000389549883 382615343 /nfs/dbraw/zinc/61/53/43/382615343.db2.gz ODWBZZQMDZTVIJ-CXAGYDPISA-N 2 2 258.409 2.920 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000389549883 382615347 /nfs/dbraw/zinc/61/53/47/382615347.db2.gz ODWBZZQMDZTVIJ-CXAGYDPISA-N 2 2 258.409 2.920 10 0 CFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000190462153 382669337 /nfs/dbraw/zinc/66/93/37/382669337.db2.gz GFXMHGFHODWIRR-CQSZACIVSA-N 2 2 281.469 2.861 10 0 CFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(C)C)C1 ZINC000190462153 382669338 /nfs/dbraw/zinc/66/93/38/382669338.db2.gz GFXMHGFHODWIRR-CQSZACIVSA-N 2 2 281.469 2.861 10 0 CFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(C)C)C1 ZINC000190462153 382669339 /nfs/dbraw/zinc/66/93/39/382669339.db2.gz GFXMHGFHODWIRR-CQSZACIVSA-N 2 2 281.469 2.861 10 0 CFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(C)C)C1 ZINC000190462153 382669340 /nfs/dbraw/zinc/66/93/40/382669340.db2.gz GFXMHGFHODWIRR-CQSZACIVSA-N 2 2 281.469 2.861 10 0 CFAELP C[C@@H]([NH3+])C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000199514738 382771986 /nfs/dbraw/zinc/77/19/86/382771986.db2.gz ZXAQPQMRUHGIQN-QAPCUYQASA-N 2 2 284.403 2.569 10 0 CFAELP C[C@@H]([NH3+])C[N@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000199514738 382771988 /nfs/dbraw/zinc/77/19/88/382771988.db2.gz ZXAQPQMRUHGIQN-QAPCUYQASA-N 2 2 284.403 2.569 10 0 CFAELP [NH3+][C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000211445122 382775152 /nfs/dbraw/zinc/77/51/52/382775152.db2.gz MENLHMNABZXCRV-QGZVFWFLSA-N 2 2 252.361 2.747 10 0 CFAELP [NH3+][C@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000211445122 382775154 /nfs/dbraw/zinc/77/51/54/382775154.db2.gz MENLHMNABZXCRV-QGZVFWFLSA-N 2 2 252.361 2.747 10 0 CFAELP C[C@@H]1CCC[C@@](CNc2nc[nH+]c(N)c2Cl)([NH+](C)C)C1 ZINC000235313134 382878686 /nfs/dbraw/zinc/87/86/86/382878686.db2.gz WUIPUUIUDSWUCJ-QMTHXVAHSA-N 2 2 297.834 2.635 10 0 CFAELP Cc1cc[nH+]c(N[C@H](C)[C@@H]2CCC[NH2+]C2)c1Br ZINC000235289954 382878705 /nfs/dbraw/zinc/87/87/05/382878705.db2.gz HLXVVBXNQGYZDS-GHMZBOCLSA-N 2 2 298.228 2.953 10 0 CFAELP C[C@@H]1CCC[C@](CNc2nc[nH+]c(N)c2Cl)([NH+](C)C)C1 ZINC000235305527 382878955 /nfs/dbraw/zinc/87/89/55/382878955.db2.gz WUIPUUIUDSWUCJ-YGRLFVJLSA-N 2 2 297.834 2.635 10 0 CFAELP [NH3+][C@H]1CC[C@H](C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000237904204 382972998 /nfs/dbraw/zinc/97/29/98/382972998.db2.gz QZFLWYKFHUUKSS-STQMWFEESA-N 2 2 297.358 2.940 10 0 CFAELP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1Br ZINC000422693875 382974941 /nfs/dbraw/zinc/97/49/41/382974941.db2.gz MWIYWNKOVMBDGO-UWVGGRQHSA-N 2 2 283.213 2.708 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2c3ccccc3C[C@@H]2C)C1 ZINC000247180327 383150955 /nfs/dbraw/zinc/15/09/55/383150955.db2.gz VCRKHDQLFNCRSY-JLJPHGGASA-N 2 2 258.409 2.994 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2c3ccccc3C[C@@H]2C)C1 ZINC000247180327 383150959 /nfs/dbraw/zinc/15/09/59/383150959.db2.gz VCRKHDQLFNCRSY-JLJPHGGASA-N 2 2 258.409 2.994 10 0 CFAELP C[C@@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000249135982 383330320 /nfs/dbraw/zinc/33/03/20/383330320.db2.gz VMWJIZQQHHYWRA-HYVNUMGLSA-N 2 2 291.439 2.707 10 0 CFAELP C[C@@H]1CC[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000249135982 383330324 /nfs/dbraw/zinc/33/03/24/383330324.db2.gz VMWJIZQQHHYWRA-HYVNUMGLSA-N 2 2 291.439 2.707 10 0 CFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)C2CCSCC2)C1 ZINC000250136543 383372271 /nfs/dbraw/zinc/37/22/71/383372271.db2.gz YEOUTRLHEWEGEH-VNHYZAJKSA-N 2 2 270.486 2.836 10 0 CFAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)C2CCSCC2)C1 ZINC000250136543 383372275 /nfs/dbraw/zinc/37/22/75/383372275.db2.gz YEOUTRLHEWEGEH-VNHYZAJKSA-N 2 2 270.486 2.836 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@@H+]1CCSCc1ccccc1 ZINC000261743634 383550640 /nfs/dbraw/zinc/55/06/40/383550640.db2.gz BPJWWQWMRHOKQM-HNNXBMFYSA-N 2 2 264.438 2.733 10 0 CFAELP [NH3+]C[C@@H]1CCCC[N@H+]1CCSCc1ccccc1 ZINC000261743634 383550645 /nfs/dbraw/zinc/55/06/45/383550645.db2.gz BPJWWQWMRHOKQM-HNNXBMFYSA-N 2 2 264.438 2.733 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c(F)cccc3Cl)C[C@H]12 ZINC000261558784 383511466 /nfs/dbraw/zinc/51/14/66/383511466.db2.gz DJOFEZHKRIZWTP-ISTVAULSSA-N 2 2 268.763 2.648 10 0 CFAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(F)cccc3Cl)C[C@H]12 ZINC000261558784 383511469 /nfs/dbraw/zinc/51/14/69/383511469.db2.gz DJOFEZHKRIZWTP-ISTVAULSSA-N 2 2 268.763 2.648 10 0 CFAELP Cc1cc2cc(C[N@@H+]3C[C@H]([NH3+])[C@@H](C)C3)oc2cc1C ZINC000261924623 383580413 /nfs/dbraw/zinc/58/04/13/383580413.db2.gz BZVROFXKGKEXGA-WFASDCNBSA-N 2 2 258.365 2.829 10 0 CFAELP Cc1cc2cc(C[N@H+]3C[C@H]([NH3+])[C@@H](C)C3)oc2cc1C ZINC000261924623 383580415 /nfs/dbraw/zinc/58/04/15/383580415.db2.gz BZVROFXKGKEXGA-WFASDCNBSA-N 2 2 258.365 2.829 10 0 CFAELP Cc1nc2ccc(C[N@@H+]3CCCC[C@H]3C[NH3+])cc2s1 ZINC000262048594 383599298 /nfs/dbraw/zinc/59/92/98/383599298.db2.gz ZHHLGYSBBFGLLH-ZDUSSCGKSA-N 2 2 275.421 2.918 10 0 CFAELP Cc1nc2ccc(C[N@H+]3CCCC[C@H]3C[NH3+])cc2s1 ZINC000262048594 383599304 /nfs/dbraw/zinc/59/93/04/383599304.db2.gz ZHHLGYSBBFGLLH-ZDUSSCGKSA-N 2 2 275.421 2.918 10 0 CFAELP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262044671 383599682 /nfs/dbraw/zinc/59/96/82/383599682.db2.gz POYPIVXWTOQMQI-DYVFJYSZSA-N 2 2 297.402 2.536 10 0 CFAELP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262044671 383599685 /nfs/dbraw/zinc/59/96/85/383599685.db2.gz POYPIVXWTOQMQI-DYVFJYSZSA-N 2 2 297.402 2.536 10 0 CFAELP C[N@@H+]1CCC[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000086817856 135048581 /nfs/dbraw/zinc/04/85/81/135048581.db2.gz NOJGBVCZWFZWFK-OAHLLOKOSA-N 2 2 288.439 2.968 10 0 CFAELP C[N@H+]1CCC[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000086817856 135048583 /nfs/dbraw/zinc/04/85/83/135048583.db2.gz NOJGBVCZWFZWFK-OAHLLOKOSA-N 2 2 288.439 2.968 10 0 CFAELP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1C ZINC000194642218 543094791 /nfs/dbraw/zinc/09/47/91/543094791.db2.gz NUAPSBCUOCGMOV-MRXNPFEDSA-N 2 2 285.391 2.865 10 0 CFAELP COc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1C ZINC000194642218 543094795 /nfs/dbraw/zinc/09/47/95/543094795.db2.gz NUAPSBCUOCGMOV-MRXNPFEDSA-N 2 2 285.391 2.865 10 0 CFAELP COc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@H]2[NH3+])cc1 ZINC000382698021 543099885 /nfs/dbraw/zinc/09/98/85/543099885.db2.gz YKRVJJLOBWHORJ-QZTJIDSGSA-N 2 2 282.387 2.622 10 0 CFAELP COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2[NH3+])cc1 ZINC000382698021 543099888 /nfs/dbraw/zinc/09/98/88/543099888.db2.gz YKRVJJLOBWHORJ-QZTJIDSGSA-N 2 2 282.387 2.622 10 0 CFAELP CCCOc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CC2)cc1 ZINC000020226554 171091743 /nfs/dbraw/zinc/09/17/43/171091743.db2.gz HUYXXEDJDMYMFW-MRXNPFEDSA-N 2 2 262.397 2.817 10 0 CFAELP CCCOc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CC2)cc1 ZINC000020226554 171091745 /nfs/dbraw/zinc/09/17/45/171091745.db2.gz HUYXXEDJDMYMFW-MRXNPFEDSA-N 2 2 262.397 2.817 10 0 CFAELP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000020305301 171141755 /nfs/dbraw/zinc/14/17/55/171141755.db2.gz BQXOPDZSRKRDHK-HNNXBMFYSA-N 2 2 262.397 2.583 10 0 CFAELP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000020305301 171141757 /nfs/dbraw/zinc/14/17/57/171141757.db2.gz BQXOPDZSRKRDHK-HNNXBMFYSA-N 2 2 262.397 2.583 10 0 CFAELP C[C@H](c1nc2ccccc2s1)[NH+]1CCC([NH3+])CC1 ZINC000020521525 171234939 /nfs/dbraw/zinc/23/49/39/171234939.db2.gz ZMRZSCCIYBEDJK-SNVBAGLBSA-N 2 2 261.394 2.780 10 0 CFAELP C[NH2+]CCC[NH2+]Cc1cc2ccccc2nc1Cl ZINC000020968493 171282979 /nfs/dbraw/zinc/28/29/79/171282979.db2.gz VJJITBQGDAMVGO-UHFFFAOYSA-N 2 2 263.772 2.587 10 0 CFAELP COc1ccc(OC)c([C@H](C[NH3+])[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000022168602 171366578 /nfs/dbraw/zinc/36/65/78/171366578.db2.gz KFBZPOPUHBSIAN-IOASZLSFSA-N 2 2 292.423 2.682 10 0 CFAELP COc1ccccc1[C@H](C[NH3+])[N@H+](C)C1CCCCC1 ZINC000022213895 171374822 /nfs/dbraw/zinc/37/48/22/171374822.db2.gz WGYMIQMAXFTYOG-HNNXBMFYSA-N 2 2 262.397 2.960 10 0 CFAELP COc1ccccc1[C@H](C[NH3+])[N@@H+](C)C1CCCCC1 ZINC000022213895 171374823 /nfs/dbraw/zinc/37/48/23/171374823.db2.gz WGYMIQMAXFTYOG-HNNXBMFYSA-N 2 2 262.397 2.960 10 0 CFAELP CC[N@@H+]1CCC[C@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161943 172021880 /nfs/dbraw/zinc/02/18/80/172021880.db2.gz PCZXVIBKVNMGTN-IKXAHOJESA-N 2 2 262.441 2.885 10 0 CFAELP CC[N@H+]1CCC[C@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161943 172021881 /nfs/dbraw/zinc/02/18/81/172021881.db2.gz PCZXVIBKVNMGTN-IKXAHOJESA-N 2 2 262.441 2.885 10 0 CFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(F)cc1F ZINC000035570293 172266604 /nfs/dbraw/zinc/26/66/04/172266604.db2.gz DIOMXALNXUIDQQ-GFCCVEGCSA-N 2 2 251.280 2.581 10 0 CFAELP C[N@H+](Cc1ccsc1)[C@@H](C[NH3+])Cc1ccccc1 ZINC000035718777 172373432 /nfs/dbraw/zinc/37/34/32/172373432.db2.gz WKSLKNHMWVSPSA-OAHLLOKOSA-N 2 2 260.406 2.750 10 0 CFAELP C[N@@H+](Cc1ccsc1)[C@@H](C[NH3+])Cc1ccccc1 ZINC000035718777 172373435 /nfs/dbraw/zinc/37/34/35/172373435.db2.gz WKSLKNHMWVSPSA-OAHLLOKOSA-N 2 2 260.406 2.750 10 0 CFAELP CCC[NH2+]C1CC[NH+](Cc2ccccc2F)CC1 ZINC000037241447 173058068 /nfs/dbraw/zinc/05/80/68/173058068.db2.gz NGYOWYXTTIHWRE-UHFFFAOYSA-N 2 2 250.361 2.790 10 0 CFAELP CC[NH+](CC)[C@H](C[NH2+]CCCOC)c1ccccc1 ZINC000037753743 173677722 /nfs/dbraw/zinc/67/77/22/173677722.db2.gz ICBSCRMHGTWZNQ-MRXNPFEDSA-N 2 2 264.413 2.696 10 0 CFAELP COC(C)(C)C[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028681 174017675 /nfs/dbraw/zinc/01/76/75/174017675.db2.gz HHIOLJDCHLBTNH-ZIAGYGMSSA-N 2 2 256.434 2.654 10 0 CFAELP C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000038044504 174052004 /nfs/dbraw/zinc/05/20/04/174052004.db2.gz LVXAUJWWKYGKOS-LSDHHAIUSA-N 2 2 285.391 2.950 10 0 CFAELP COc1ccc([C@H](C[NH3+])[NH+]2CCCCCC2)cc1OC ZINC000038808954 174156032 /nfs/dbraw/zinc/15/60/32/174156032.db2.gz ORMKZJKPZHAGHI-AWEZNQCLSA-N 2 2 278.396 2.580 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000039789069 174173660 /nfs/dbraw/zinc/17/36/60/174173660.db2.gz HBRFZQNSUKRMLU-DVOMOZLQSA-N 2 2 262.397 2.958 10 0 CFAELP COc1cccc([C@@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000039789069 174173661 /nfs/dbraw/zinc/17/36/61/174173661.db2.gz HBRFZQNSUKRMLU-DVOMOZLQSA-N 2 2 262.397 2.958 10 0 CFAELP Cc1[nH+]c2ccc(Cl)cc2n1CCC[NH+]1CCOCC1 ZINC000040405964 174254324 /nfs/dbraw/zinc/25/43/24/174254324.db2.gz UOGAXVXHWOWGSQ-UHFFFAOYSA-N 2 2 293.798 2.720 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000040502650 174298813 /nfs/dbraw/zinc/29/88/13/174298813.db2.gz CIYKNDRXPLUXKN-GOEBONIOSA-N 2 2 276.424 2.700 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000040502650 174298815 /nfs/dbraw/zinc/29/88/15/174298815.db2.gz CIYKNDRXPLUXKN-GOEBONIOSA-N 2 2 276.424 2.700 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000040502475 174299131 /nfs/dbraw/zinc/29/91/31/174299131.db2.gz DHURCFVCEGAHBU-INIZCTEOSA-N 2 2 269.392 2.809 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000040502475 174299133 /nfs/dbraw/zinc/29/91/33/174299133.db2.gz DHURCFVCEGAHBU-INIZCTEOSA-N 2 2 269.392 2.809 10 0 CFAELP CC[C@H]([NH2+]CCc1[nH+]ccn1C)c1ccc(F)cc1 ZINC000040638736 174362766 /nfs/dbraw/zinc/36/27/66/174362766.db2.gz BFMXWCSEMHURQI-AWEZNQCLSA-N 2 2 261.344 2.843 10 0 CFAELP C[C@H]([NH2+]CCc1[nH+]ccn1C)c1c(F)cccc1F ZINC000040638681 174363206 /nfs/dbraw/zinc/36/32/06/174363206.db2.gz YBUFKTLQKJLZPY-JTQLQIEISA-N 2 2 265.307 2.592 10 0 CFAELP Cc1cccc(CC[C@H](C)[NH2+]CCc2[nH+]ccn2C)c1 ZINC000040639442 174363729 /nfs/dbraw/zinc/36/37/29/174363729.db2.gz NFQKXAQAQHNVHZ-HNNXBMFYSA-N 2 2 271.408 2.882 10 0 CFAELP CC[NH+](CC)[C@H](C[NH3+])c1cccc(OC(C)C)c1 ZINC000040640855 174364284 /nfs/dbraw/zinc/36/42/84/174364284.db2.gz WHXPWMFTWZIDMF-OAHLLOKOSA-N 2 2 250.386 2.815 10 0 CFAELP c1ccc(CC[N@@H+]2CC[C@H]([NH2+]CC3CCC3)C2)cc1 ZINC000040671355 174369219 /nfs/dbraw/zinc/36/92/19/174369219.db2.gz SXTFCBGWLVZZGS-KRWDZBQOSA-N 2 2 258.409 2.693 10 0 CFAELP c1ccc(CC[N@H+]2CC[C@H]([NH2+]CC3CCC3)C2)cc1 ZINC000040671355 174369221 /nfs/dbraw/zinc/36/92/21/174369221.db2.gz SXTFCBGWLVZZGS-KRWDZBQOSA-N 2 2 258.409 2.693 10 0 CFAELP Cc1cccc(C2CC([NH2+][C@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000040672790 174370998 /nfs/dbraw/zinc/37/09/98/174370998.db2.gz RRROWUIWSXLTGL-CGZBRXJRSA-N 2 2 258.409 2.925 10 0 CFAELP Cc1cccc(C2CC([NH2+][C@H]3CCC[N@H+](C)C3)C2)c1 ZINC000040672790 174370999 /nfs/dbraw/zinc/37/09/99/174370999.db2.gz RRROWUIWSXLTGL-CGZBRXJRSA-N 2 2 258.409 2.925 10 0 CFAELP CC[N@H+](C)[C@@H](c1ccc(Br)s1)[C@@H](C)[NH3+] ZINC000043259530 174995393 /nfs/dbraw/zinc/99/53/93/174995393.db2.gz HRDBPXLJDYYUEL-GMSGAONNSA-N 2 2 277.231 2.851 10 0 CFAELP CC[N@@H+](C)[C@@H](c1ccc(Br)s1)[C@@H](C)[NH3+] ZINC000043259530 174995394 /nfs/dbraw/zinc/99/53/94/174995394.db2.gz HRDBPXLJDYYUEL-GMSGAONNSA-N 2 2 277.231 2.851 10 0 CFAELP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043325853 175007509 /nfs/dbraw/zinc/00/75/09/175007509.db2.gz CYHHSSSCEAMPLG-AAEUAGOBSA-N 2 2 252.789 2.613 10 0 CFAELP CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326747 175008303 /nfs/dbraw/zinc/00/83/03/175008303.db2.gz KTCDGRVZXUGGNI-ZIAGYGMSSA-N 2 2 262.397 2.876 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@H+](CCOC)CC(C)C ZINC000043335922 175012273 /nfs/dbraw/zinc/01/22/73/175012273.db2.gz HDGFOWBLVLFTSR-UKRRQHHQSA-N 2 2 268.401 2.662 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+](CCOC)CC(C)C ZINC000043335922 175012275 /nfs/dbraw/zinc/01/22/75/175012275.db2.gz HDGFOWBLVLFTSR-UKRRQHHQSA-N 2 2 268.401 2.662 10 0 CFAELP CCC(CC)[N@H+](CCOC)[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341021 175015581 /nfs/dbraw/zinc/01/55/81/175015581.db2.gz CMIZKONIRDFRGL-CJNGLKHVSA-N 2 2 279.428 2.607 10 0 CFAELP CCC(CC)[N@@H+](CCOC)[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341021 175015583 /nfs/dbraw/zinc/01/55/83/175015583.db2.gz CMIZKONIRDFRGL-CJNGLKHVSA-N 2 2 279.428 2.607 10 0 CFAELP [NH3+]C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000043346735 175017248 /nfs/dbraw/zinc/01/72/48/175017248.db2.gz QLQJTAQQHSQIMQ-SJORKVTESA-N 2 2 267.376 2.919 10 0 CFAELP [NH3+]C[C@@H](c1cccnc1)[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000043346735 175017251 /nfs/dbraw/zinc/01/72/51/175017251.db2.gz QLQJTAQQHSQIMQ-SJORKVTESA-N 2 2 267.376 2.919 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](CC)C1 ZINC000043346775 175017277 /nfs/dbraw/zinc/01/72/77/175017277.db2.gz PPAZHOPGTLOAKB-BMFZPTHFSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+]1CCC[C@@H](CC)C1 ZINC000043346775 175017279 /nfs/dbraw/zinc/01/72/79/175017279.db2.gz PPAZHOPGTLOAKB-BMFZPTHFSA-N 2 2 261.413 2.982 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)C1CCC(C)CC1 ZINC000043347574 175017929 /nfs/dbraw/zinc/01/79/29/175017929.db2.gz HYIDJCIUYMKROD-QFXNTCPOSA-N 2 2 261.413 2.980 10 0 CFAELP C[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)C1CCC(C)CC1 ZINC000043347574 175017930 /nfs/dbraw/zinc/01/79/30/175017930.db2.gz HYIDJCIUYMKROD-QFXNTCPOSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+](CC1CC1)C(C)C ZINC000043348422 175018607 /nfs/dbraw/zinc/01/86/07/175018607.db2.gz SCWXWRSLDQYRHV-JKSUJKDBSA-N 2 2 261.413 2.980 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](CC1CC1)C(C)C ZINC000043348422 175018608 /nfs/dbraw/zinc/01/86/08/175018608.db2.gz SCWXWRSLDQYRHV-JKSUJKDBSA-N 2 2 261.413 2.980 10 0 CFAELP Cc1cc2[nH+]cn([C@H](C[NH3+])c3ccncc3)c2cc1C ZINC000043354928 175022935 /nfs/dbraw/zinc/02/29/35/175022935.db2.gz AVBIZYBFTOXXKP-MRXNPFEDSA-N 2 2 266.348 2.596 10 0 CFAELP Cc1cc2[nH+]cn([C@H](c3ccncc3)[C@H](C)[NH3+])c2cc1C ZINC000043354932 175023223 /nfs/dbraw/zinc/02/32/23/175023223.db2.gz WPDRSDHGEHQCHB-GUYCJALGSA-N 2 2 280.375 2.985 10 0 CFAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@H+](C)CCc2ccncc2)o1 ZINC000043364521 175025384 /nfs/dbraw/zinc/02/53/84/175025384.db2.gz ACQSJHJUBZBSPM-CJNGLKHVSA-N 2 2 273.380 2.546 10 0 CFAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)CCc2ccncc2)o1 ZINC000043364521 175025385 /nfs/dbraw/zinc/02/53/85/175025385.db2.gz ACQSJHJUBZBSPM-CJNGLKHVSA-N 2 2 273.380 2.546 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](C)CCc1ccncc1 ZINC000043364526 175025564 /nfs/dbraw/zinc/02/55/64/175025564.db2.gz HXQMAXDFZQDJJO-DOTOQJQBSA-N 2 2 287.407 2.936 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](C)CCc1ccncc1 ZINC000043364526 175025565 /nfs/dbraw/zinc/02/55/65/175025565.db2.gz HXQMAXDFZQDJJO-DOTOQJQBSA-N 2 2 287.407 2.936 10 0 CFAELP CC(C)C[N@H+](CC[NH3+])Cc1cc(Br)cs1 ZINC000043687698 175094944 /nfs/dbraw/zinc/09/49/44/175094944.db2.gz RRZTZZZUCISEOF-UHFFFAOYSA-N 2 2 291.258 2.927 10 0 CFAELP CC(C)C[N@@H+](CC[NH3+])Cc1cc(Br)cs1 ZINC000043687698 175094945 /nfs/dbraw/zinc/09/49/45/175094945.db2.gz RRZTZZZUCISEOF-UHFFFAOYSA-N 2 2 291.258 2.927 10 0 CFAELP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811602 175110841 /nfs/dbraw/zinc/11/08/41/175110841.db2.gz NBRSXYLPXUTFTC-QMHWVQJVSA-N 2 2 268.445 2.652 10 0 CFAELP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811602 175110843 /nfs/dbraw/zinc/11/08/43/175110843.db2.gz NBRSXYLPXUTFTC-QMHWVQJVSA-N 2 2 268.445 2.652 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811542 175111291 /nfs/dbraw/zinc/11/12/91/175111291.db2.gz MXRORIQMXXYMHB-LXTVHRRPSA-N 2 2 256.434 2.652 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811542 175111293 /nfs/dbraw/zinc/11/12/93/175111293.db2.gz MXRORIQMXXYMHB-LXTVHRRPSA-N 2 2 256.434 2.652 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)C1CCCCC1)OCCO2 ZINC000043815110 175112002 /nfs/dbraw/zinc/11/20/02/175112002.db2.gz NZTBKYHRDIMPFD-JKSUJKDBSA-N 2 2 296.455 2.525 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)C1CCCCC1)OCCO2 ZINC000043815110 175112004 /nfs/dbraw/zinc/11/20/04/175112004.db2.gz NZTBKYHRDIMPFD-JKSUJKDBSA-N 2 2 296.455 2.525 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+](C)Cc1cccnc1 ZINC000043893606 175118511 /nfs/dbraw/zinc/11/85/11/175118511.db2.gz JXEZKHDOCZNIPU-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+](C)Cc1cccnc1 ZINC000043893606 175118512 /nfs/dbraw/zinc/11/85/12/175118512.db2.gz JXEZKHDOCZNIPU-JKSUJKDBSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+](C)Cc1ccncc1 ZINC000043893825 175118548 /nfs/dbraw/zinc/11/85/48/175118548.db2.gz KBUNJMXNPVHSAY-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+](C)Cc1ccncc1 ZINC000043893825 175118549 /nfs/dbraw/zinc/11/85/49/175118549.db2.gz KBUNJMXNPVHSAY-CVEARBPZSA-N 2 2 261.413 2.824 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898620 175120902 /nfs/dbraw/zinc/12/09/02/175120902.db2.gz UUIGEWYTOLIOFF-HOTGVXAUSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898620 175120903 /nfs/dbraw/zinc/12/09/03/175120903.db2.gz UUIGEWYTOLIOFF-HOTGVXAUSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H](C)C[N@H+](C)Cc1ccc(OC)cc1 ZINC000043911695 175123759 /nfs/dbraw/zinc/12/37/59/175123759.db2.gz WITZXEVIBHEOKD-ZDUSSCGKSA-N 2 2 250.386 2.515 10 0 CFAELP CCC[NH2+][C@@H](C)C[N@@H+](C)Cc1ccc(OC)cc1 ZINC000043911695 175123760 /nfs/dbraw/zinc/12/37/60/175123760.db2.gz WITZXEVIBHEOKD-ZDUSSCGKSA-N 2 2 250.386 2.515 10 0 CFAELP CCC[C@@H]1CC[C@@H]([NH2+]CC)[C@H]([N@H+](C)CCOC)C1 ZINC000043916161 175125102 /nfs/dbraw/zinc/12/51/02/175125102.db2.gz ZSFGQPPXGIIZHL-RBSFLKMASA-N 2 2 256.434 2.512 10 0 CFAELP CCC[C@@H]1CC[C@@H]([NH2+]CC)[C@H]([N@@H+](C)CCOC)C1 ZINC000043916161 175125103 /nfs/dbraw/zinc/12/51/03/175125103.db2.gz ZSFGQPPXGIIZHL-RBSFLKMASA-N 2 2 256.434 2.512 10 0 CFAELP CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1[N@H+](C)CCOC ZINC000043916280 175125307 /nfs/dbraw/zinc/12/53/07/175125307.db2.gz UQDPOPUZBQNFPM-ILXRZTDVSA-N 2 2 256.434 2.512 10 0 CFAELP CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1[N@@H+](C)CCOC ZINC000043916280 175125308 /nfs/dbraw/zinc/12/53/08/175125308.db2.gz UQDPOPUZBQNFPM-ILXRZTDVSA-N 2 2 256.434 2.512 10 0 CFAELP CCC[NH2+][C@@H]1c2ccccc2CC[C@H]1[N@H+](C)CCOC ZINC000043916506 175125425 /nfs/dbraw/zinc/12/54/25/175125425.db2.gz GVROXOUFFNWOLQ-IAGOWNOFSA-N 2 2 276.424 2.620 10 0 CFAELP CCC[NH2+][C@@H]1c2ccccc2CC[C@H]1[N@@H+](C)CCOC ZINC000043916506 175125426 /nfs/dbraw/zinc/12/54/26/175125426.db2.gz GVROXOUFFNWOLQ-IAGOWNOFSA-N 2 2 276.424 2.620 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@@H+]1CCOCC1(C)C ZINC000043917098 175125851 /nfs/dbraw/zinc/12/58/51/175125851.db2.gz GLCLVDXYLUQVDA-ZIAGYGMSSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[N@H+]1CCOCC1(C)C ZINC000043917098 175125852 /nfs/dbraw/zinc/12/58/52/175125852.db2.gz GLCLVDXYLUQVDA-ZIAGYGMSSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[NH2+][C@@H](C[N@H+](CC)C[C@@H]1CCCO1)C(C)(C)C ZINC000043966903 175127906 /nfs/dbraw/zinc/12/79/06/175127906.db2.gz UXBZACZCSKZDCP-GJZGRUSLSA-N 2 2 270.461 2.902 10 0 CFAELP CCC[NH2+][C@@H](C[N@@H+](CC)C[C@@H]1CCCO1)C(C)(C)C ZINC000043966903 175127907 /nfs/dbraw/zinc/12/79/07/175127907.db2.gz UXBZACZCSKZDCP-GJZGRUSLSA-N 2 2 270.461 2.902 10 0 CFAELP CC[NH2+][C@H](C[N@H+](C)C[C@@H]1CCCCO1)C(C)(C)C ZINC000043966559 175128028 /nfs/dbraw/zinc/12/80/28/175128028.db2.gz NKGNMGOBZAMLNJ-UONOGXRCSA-N 2 2 256.434 2.512 10 0 CFAELP CC[NH2+][C@H](C[N@@H+](C)C[C@@H]1CCCCO1)C(C)(C)C ZINC000043966559 175128030 /nfs/dbraw/zinc/12/80/30/175128030.db2.gz NKGNMGOBZAMLNJ-UONOGXRCSA-N 2 2 256.434 2.512 10 0 CFAELP CCC(CC)C[N@H+](CC)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043967077 175128141 /nfs/dbraw/zinc/12/81/41/175128141.db2.gz WDOSVBCICGNCRH-JKSUJKDBSA-N 2 2 298.471 2.628 10 0 CFAELP CCC(CC)C[N@@H+](CC)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043967077 175128142 /nfs/dbraw/zinc/12/81/42/175128142.db2.gz WDOSVBCICGNCRH-JKSUJKDBSA-N 2 2 298.471 2.628 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966717 175128202 /nfs/dbraw/zinc/12/82/02/175128202.db2.gz GQMKCARNEXHZDC-XHSDSOJGSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966717 175128203 /nfs/dbraw/zinc/12/82/03/175128203.db2.gz GQMKCARNEXHZDC-XHSDSOJGSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966229 175128213 /nfs/dbraw/zinc/12/82/13/175128213.db2.gz CJTZNAPLHVROON-JONQDZQNSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966229 175128214 /nfs/dbraw/zinc/12/82/14/175128214.db2.gz CJTZNAPLHVROON-JONQDZQNSA-N 2 2 268.445 2.654 10 0 CFAELP CC[NH2+][C@H](C[N@H+](CC)Cc1ccncc1)C(C)(C)C ZINC000043968888 175129532 /nfs/dbraw/zinc/12/95/32/175129532.db2.gz VULRKEXBQCMJAT-OAHLLOKOSA-N 2 2 263.429 2.928 10 0 CFAELP CC[NH2+][C@H](C[N@@H+](CC)Cc1ccncc1)C(C)(C)C ZINC000043968888 175129533 /nfs/dbraw/zinc/12/95/33/175129533.db2.gz VULRKEXBQCMJAT-OAHLLOKOSA-N 2 2 263.429 2.928 10 0 CFAELP CC[NH2+][C@@H](C[N@H+](CC)CCOC)c1ccc(C)c(C)c1 ZINC000043968693 175129966 /nfs/dbraw/zinc/12/99/66/175129966.db2.gz JIQZQNZUUQFXRI-KRWDZBQOSA-N 2 2 278.440 2.922 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+](CC)CCOC)c1ccc(C)c(C)c1 ZINC000043968693 175129968 /nfs/dbraw/zinc/12/99/68/175129968.db2.gz JIQZQNZUUQFXRI-KRWDZBQOSA-N 2 2 278.440 2.922 10 0 CFAELP CC[N@H+](CCOC)C[C@H]([NH2+]C)c1cc(C)ccc1C ZINC000043968533 175130006 /nfs/dbraw/zinc/13/00/06/175130006.db2.gz WLBGLUUCPKOAHI-INIZCTEOSA-N 2 2 264.413 2.532 10 0 CFAELP CC[N@@H+](CCOC)C[C@H]([NH2+]C)c1cc(C)ccc1C ZINC000043968533 175130008 /nfs/dbraw/zinc/13/00/08/175130008.db2.gz WLBGLUUCPKOAHI-INIZCTEOSA-N 2 2 264.413 2.532 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@H](C)[N@H+](C)[C@@H](C)COC ZINC000043969173 175130231 /nfs/dbraw/zinc/13/02/31/175130231.db2.gz TXJCYUIMHIJATK-OFQRWUPVSA-N 2 2 264.413 2.692 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@H](C)[N@@H+](C)[C@@H](C)COC ZINC000043969173 175130233 /nfs/dbraw/zinc/13/02/33/175130233.db2.gz TXJCYUIMHIJATK-OFQRWUPVSA-N 2 2 264.413 2.692 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2CC[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000043969335 175130425 /nfs/dbraw/zinc/13/04/25/175130425.db2.gz CQUGCJJOEYZNPX-JQFCIGGWSA-N 2 2 276.424 2.619 10 0 CFAELP CC[NH2+][C@H]1c2ccccc2CC[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969335 175130426 /nfs/dbraw/zinc/13/04/26/175130426.db2.gz CQUGCJJOEYZNPX-JQFCIGGWSA-N 2 2 276.424 2.619 10 0 CFAELP C[NH2+][C@H](C[N@H+](C)[C@@H](C)COC)c1ccc(C)cc1C ZINC000043969089 175130709 /nfs/dbraw/zinc/13/07/09/175130709.db2.gz SUKYBOGJSLUQBC-GOEBONIOSA-N 2 2 264.413 2.531 10 0 CFAELP C[NH2+][C@H](C[N@@H+](C)[C@@H](C)COC)c1ccc(C)cc1C ZINC000043969089 175130711 /nfs/dbraw/zinc/13/07/11/175130711.db2.gz SUKYBOGJSLUQBC-GOEBONIOSA-N 2 2 264.413 2.531 10 0 CFAELP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)[N@H+](C)[C@@H](C)COC ZINC000043969096 175130742 /nfs/dbraw/zinc/13/07/42/175130742.db2.gz DEVUOXLKQMRDIM-LZWOXQAQSA-N 2 2 264.413 2.611 10 0 CFAELP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)[N@@H+](C)[C@@H](C)COC ZINC000043969096 175130743 /nfs/dbraw/zinc/13/07/43/175130743.db2.gz DEVUOXLKQMRDIM-LZWOXQAQSA-N 2 2 264.413 2.611 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@H]1[N@H+](CCOC)C1CC1 ZINC000043970100 175130876 /nfs/dbraw/zinc/13/08/76/175130876.db2.gz NRODCCQMXJXPKW-HZPDHXFCSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](CCOC)C1CC1 ZINC000043970100 175130878 /nfs/dbraw/zinc/13/08/78/175130878.db2.gz NRODCCQMXJXPKW-HZPDHXFCSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H](C[NH+]1CCC(C[NH+](C)C)CC1)C(C)(C)C ZINC000043970767 175132054 /nfs/dbraw/zinc/13/20/54/175132054.db2.gz PTQRGVJYPAFPEI-INIZCTEOSA-N 3 2 283.504 2.674 10 0 CFAELP CCCCC[N@H+](C(C)C)[C@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043971917 175132510 /nfs/dbraw/zinc/13/25/10/175132510.db2.gz VLNPUYTVDPPKEI-HOTGVXAUSA-N 2 2 298.471 2.771 10 0 CFAELP CCCCC[N@@H+](C(C)C)[C@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043971917 175132511 /nfs/dbraw/zinc/13/25/11/175132511.db2.gz VLNPUYTVDPPKEI-HOTGVXAUSA-N 2 2 298.471 2.771 10 0 CFAELP CC[N@H+](C[C@H]([NH2+]C)c1cc(C)ccc1C)[C@@H](C)COC ZINC000043981053 175134099 /nfs/dbraw/zinc/13/40/99/175134099.db2.gz ZIRRCIJFXBEXST-RDJZCZTQSA-N 2 2 278.440 2.921 10 0 CFAELP CC[N@@H+](C[C@H]([NH2+]C)c1cc(C)ccc1C)[C@@H](C)COC ZINC000043981053 175134100 /nfs/dbraw/zinc/13/41/00/175134100.db2.gz ZIRRCIJFXBEXST-RDJZCZTQSA-N 2 2 278.440 2.921 10 0 CFAELP CCc1ccc([C@@H](C[N@@H+](CC)[C@@H](C)COC)[NH2+]C)cc1 ZINC000043981138 175134190 /nfs/dbraw/zinc/13/41/90/175134190.db2.gz QHZYCUYFPUBLSI-WMLDXEAASA-N 2 2 278.440 2.866 10 0 CFAELP CCc1ccc([C@@H](C[N@H+](CC)[C@@H](C)COC)[NH2+]C)cc1 ZINC000043981138 175134191 /nfs/dbraw/zinc/13/41/91/175134191.db2.gz QHZYCUYFPUBLSI-WMLDXEAASA-N 2 2 278.440 2.866 10 0 CFAELP CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(OCC)cc1 ZINC000043993000 175135718 /nfs/dbraw/zinc/13/57/18/175135718.db2.gz ODDKQBAIZORUFL-HNNXBMFYSA-N 2 2 259.353 2.633 10 0 CFAELP C[NH2+][C@@H]1c2ccccc2OC[C@@H]1n1cc[nH+]c1C(C)C ZINC000043997542 175137098 /nfs/dbraw/zinc/13/70/98/175137098.db2.gz WRDQQCZQYGEOTC-DZGCQCFKSA-N 2 2 271.364 2.901 10 0 CFAELP CCC[NH2+][C@H]1CCOC[C@H]1n1c(C)[nH+]c2ccccc21 ZINC000043996039 175137269 /nfs/dbraw/zinc/13/72/69/175137269.db2.gz MIELMQHJSHUYFF-XJKSGUPXSA-N 2 2 273.380 2.674 10 0 CFAELP C[NH2+][C@H](Cn1cc[nH+]c1C(C)C)c1ccc(OC)cc1 ZINC000043997948 175137302 /nfs/dbraw/zinc/13/73/02/175137302.db2.gz IZCZTJGGBTVCIS-OAHLLOKOSA-N 2 2 273.380 2.976 10 0 CFAELP CC[C@H]([C@H](O)c1ccccc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC000044121252 175142807 /nfs/dbraw/zinc/14/28/07/175142807.db2.gz YTAMNYAPIUWDHY-IAGOWNOFSA-N 2 2 276.424 2.525 10 0 CFAELP CC[C@H]([C@H](O)c1ccccc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000044121252 175142808 /nfs/dbraw/zinc/14/28/08/175142808.db2.gz YTAMNYAPIUWDHY-IAGOWNOFSA-N 2 2 276.424 2.525 10 0 CFAELP C[NH+]1CCC(CNc2ccc3cc(N)ccc3[nH+]2)CC1 ZINC000044516780 175190573 /nfs/dbraw/zinc/19/05/73/175190573.db2.gz QHICFDDLDBATJN-UHFFFAOYSA-N 2 2 270.380 2.571 10 0 CFAELP CCOc1ccc([C@H](C)[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000044540149 175201033 /nfs/dbraw/zinc/20/10/33/175201033.db2.gz ZNZHBNDHPPMITK-DZGCQCFKSA-N 2 2 262.397 2.960 10 0 CFAELP CCOc1ccc([C@H](C)[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000044540149 175201034 /nfs/dbraw/zinc/20/10/34/175201034.db2.gz ZNZHBNDHPPMITK-DZGCQCFKSA-N 2 2 262.397 2.960 10 0 CFAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C)c1ccc2c(c1)CCO2 ZINC000044560942 175204765 /nfs/dbraw/zinc/20/47/65/175204765.db2.gz FTCZZRQXQMYIHH-CZUORRHYSA-N 2 2 274.408 2.756 10 0 CFAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C)c1ccc2c(c1)CCO2 ZINC000044560942 175204767 /nfs/dbraw/zinc/20/47/67/175204767.db2.gz FTCZZRQXQMYIHH-CZUORRHYSA-N 2 2 274.408 2.756 10 0 CFAELP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(C)on2)C1 ZINC000044692682 175233661 /nfs/dbraw/zinc/23/36/61/175233661.db2.gz ZQPMRFYKZAONKT-KGLIPLIRSA-N 2 2 265.401 2.583 10 0 CFAELP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(C)on2)C1 ZINC000044692682 175233662 /nfs/dbraw/zinc/23/36/62/175233662.db2.gz ZQPMRFYKZAONKT-KGLIPLIRSA-N 2 2 265.401 2.583 10 0 CFAELP CC[NH2+][C@H]1CCCc2cc(OCCn3cc[nH+]c3)ccc21 ZINC000044745458 175241925 /nfs/dbraw/zinc/24/19/25/175241925.db2.gz SNLJIFXNBKTAHN-KRWDZBQOSA-N 2 2 285.391 2.949 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747457 175242954 /nfs/dbraw/zinc/24/29/54/175242954.db2.gz KMAKZHFYIXOKDB-RHSMWYFYSA-N 2 2 274.408 2.844 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747457 175242955 /nfs/dbraw/zinc/24/29/55/175242955.db2.gz KMAKZHFYIXOKDB-RHSMWYFYSA-N 2 2 274.408 2.844 10 0 CFAELP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747288 175243033 /nfs/dbraw/zinc/24/30/33/175243033.db2.gz LTFJLKRMSVQLNB-LRDDRELGSA-N 2 2 271.364 2.644 10 0 CFAELP Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000045170949 175320241 /nfs/dbraw/zinc/32/02/41/175320241.db2.gz GSWRPBOFWUYJKA-CQDKDKBSSA-N 2 2 287.411 2.678 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H]1CC)C(=O)OCC ZINC000045367402 175363107 /nfs/dbraw/zinc/36/31/07/175363107.db2.gz KYSMKVPTADVNNK-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CC[NH2+][C@@](C)(CCCC[N@H+]1CCC[C@@H]1CC)C(=O)OCC ZINC000045367402 175363108 /nfs/dbraw/zinc/36/31/08/175363108.db2.gz KYSMKVPTADVNNK-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP COC(=O)[C@](C)(CCC[NH+]1CCCCCCC1)[NH2+]C(C)C ZINC000045371640 175364073 /nfs/dbraw/zinc/36/40/73/175364073.db2.gz IHXGEORLHKKQIJ-KRWDZBQOSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[NH+]1CCC(C)CC1)C(=O)OCC ZINC000045374992 175365420 /nfs/dbraw/zinc/36/54/20/175365420.db2.gz KLGPHSUQPTVHBH-KRWDZBQOSA-N 2 2 298.471 2.820 10 0 CFAELP CCOC(=O)[C@](C)(CCCC[NH+]1CCCC1)[NH2+]C(C)C ZINC000045375296 175366279 /nfs/dbraw/zinc/36/62/79/175366279.db2.gz QIPFPDZUBXPVJP-INIZCTEOSA-N 2 2 284.444 2.572 10 0 CFAELP CC[N@H+](CCCC[C@](C)([NH3+])C(=O)OC)c1ccccc1 ZINC000045379872 175368863 /nfs/dbraw/zinc/36/88/63/175368863.db2.gz UCURQTJCWQKOOQ-INIZCTEOSA-N 2 2 278.396 2.574 10 0 CFAELP CC[N@@H+](CCCC[C@](C)([NH3+])C(=O)OC)c1ccccc1 ZINC000045379872 175368864 /nfs/dbraw/zinc/36/88/64/175368864.db2.gz UCURQTJCWQKOOQ-INIZCTEOSA-N 2 2 278.396 2.574 10 0 CFAELP CC[NH2+][C@@](C)(CCC[N@@H+]1CCCC[C@@H]1CC)C(=O)OCC ZINC000045384303 175370961 /nfs/dbraw/zinc/37/09/61/175370961.db2.gz YYYMAWRIGJNMOL-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CC[NH2+][C@@](C)(CCC[N@H+]1CCCC[C@@H]1CC)C(=O)OCC ZINC000045384303 175370963 /nfs/dbraw/zinc/37/09/63/175370963.db2.gz YYYMAWRIGJNMOL-RDJZCZTQSA-N 2 2 298.471 2.962 10 0 CFAELP CCC[N@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)OCC)C(C)C ZINC000045386085 175371859 /nfs/dbraw/zinc/37/18/59/175371859.db2.gz KKUCWFRNJPGAJP-KRWDZBQOSA-N 2 2 298.471 2.961 10 0 CFAELP CCC[N@@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)OCC)C(C)C ZINC000045386085 175371861 /nfs/dbraw/zinc/37/18/61/175371861.db2.gz KKUCWFRNJPGAJP-KRWDZBQOSA-N 2 2 298.471 2.961 10 0 CFAELP C[NH2+]C[C@H]1CCN(c2[nH+]c3ccccc3cc2C)C1 ZINC000071147837 176044141 /nfs/dbraw/zinc/04/41/41/176044141.db2.gz GNBBCCUSXRJVBT-CYBMUJFWSA-N 2 2 255.365 2.589 10 0 CFAELP CCCOc1ccc([C@@H]([C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000071594589 176217593 /nfs/dbraw/zinc/21/75/93/176217593.db2.gz UIJGWVAYOJLJNL-CVEARBPZSA-N 2 2 262.397 2.830 10 0 CFAELP CCCOc1ccc([C@H]([C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000071594604 176217681 /nfs/dbraw/zinc/21/76/81/176217681.db2.gz RUHSYNBCOXEDAT-BBRMVZONSA-N 2 2 262.397 2.960 10 0 CFAELP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(OC)cc1 ZINC000313277753 270290599 /nfs/dbraw/zinc/29/05/99/270290599.db2.gz FGZVNYPXGSFLJV-INIZCTEOSA-N 2 2 273.380 2.712 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000250366344 276179245 /nfs/dbraw/zinc/17/92/45/276179245.db2.gz UWHOGPHQFMGXFM-LRDDRELGSA-N 2 2 262.372 2.887 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000250366344 276179246 /nfs/dbraw/zinc/17/92/46/276179246.db2.gz UWHOGPHQFMGXFM-LRDDRELGSA-N 2 2 262.372 2.887 10 0 CFAELP C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328626407 278354959 /nfs/dbraw/zinc/35/49/59/278354959.db2.gz FANRIMQWCURLHR-LLLHUVSDSA-N 2 2 273.424 2.853 10 0 CFAELP C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328626407 278354960 /nfs/dbraw/zinc/35/49/60/278354960.db2.gz FANRIMQWCURLHR-LLLHUVSDSA-N 2 2 273.424 2.853 10 0 CFAELP CC[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249202446 281052839 /nfs/dbraw/zinc/05/28/39/281052839.db2.gz ADQLDKLIOMNEPR-HOCLYGCPSA-N 2 2 261.413 2.634 10 0 CFAELP CC[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249202446 281052840 /nfs/dbraw/zinc/05/28/40/281052840.db2.gz ADQLDKLIOMNEPR-HOCLYGCPSA-N 2 2 261.413 2.634 10 0 CFAELP CC[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000249202446 281052841 /nfs/dbraw/zinc/05/28/41/281052841.db2.gz ADQLDKLIOMNEPR-HOCLYGCPSA-N 2 2 261.413 2.634 10 0 CFAELP CC[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000249202446 281052842 /nfs/dbraw/zinc/05/28/42/281052842.db2.gz ADQLDKLIOMNEPR-HOCLYGCPSA-N 2 2 261.413 2.634 10 0 CFAELP COc1cccc(Cl)c1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000560967053 282044554 /nfs/dbraw/zinc/04/45/54/282044554.db2.gz VQSKXGMMAYSECQ-NWDGAFQWSA-N 2 2 282.815 2.826 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163948238 322379794 /nfs/dbraw/zinc/37/97/94/322379794.db2.gz VTXJQIBDOVUDHW-IUODEOHRSA-N 2 2 269.392 2.964 10 0 CFAELP CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCC[NH2+]1 ZINC000062624016 519826896 /nfs/dbraw/zinc/82/68/96/519826896.db2.gz ASIWFCYWDDCLEQ-OAHLLOKOSA-N 2 2 250.361 2.646 10 0 CFAELP CC[N@@H+](CC1CC1)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000069237114 520969148 /nfs/dbraw/zinc/96/91/48/520969148.db2.gz DFAYKOLOLDTJHK-IAQYHMDHSA-N 2 2 250.361 2.946 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[NH+]1CCC(C)(C)CC1 ZINC000061818529 522338636 /nfs/dbraw/zinc/33/86/36/522338636.db2.gz LSEMCXFDSDACBP-ZFWWWQNUSA-N 2 2 261.413 2.982 10 0 CFAELP FC(F)(F)CCC[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000096441155 534380053 /nfs/dbraw/zinc/38/00/53/534380053.db2.gz JPHFDOYIIPLBRV-GFCCVEGCSA-N 2 2 275.318 2.938 10 0 CFAELP FC(F)(F)CCC[N@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000096441155 534380060 /nfs/dbraw/zinc/38/00/60/534380060.db2.gz JPHFDOYIIPLBRV-GFCCVEGCSA-N 2 2 275.318 2.938 10 0 CFAELP CC(C)=CC[NH+]1CCC([NH2+][C@H](CN(C)C)C(C)C)CC1 ZINC000049198765 519427228 /nfs/dbraw/zinc/42/72/28/519427228.db2.gz LYGAZUAUCOOVHU-QGZVFWFLSA-N 2 2 281.488 2.593 10 0 CFAELP CC(C)[N@H+](C)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052419473 519631116 /nfs/dbraw/zinc/63/11/16/519631116.db2.gz UEHCVCWHYRGILC-UHFFFAOYSA-N 2 2 255.431 2.871 10 0 CFAELP CC(C)[N@@H+](C)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052419473 519631119 /nfs/dbraw/zinc/63/11/19/519631119.db2.gz UEHCVCWHYRGILC-UHFFFAOYSA-N 2 2 255.431 2.871 10 0 CFAELP CC(C)C[NH2+]Cc1nc(C[N@H+](C)C(C)C)cs1 ZINC000052419474 519748343 /nfs/dbraw/zinc/74/83/43/519748343.db2.gz XVMOKDBKAXRWHP-UHFFFAOYSA-N 2 2 255.431 2.729 10 0 CFAELP CC(C)C[NH2+]Cc1nc(C[N@@H+](C)C(C)C)cs1 ZINC000052419474 519748345 /nfs/dbraw/zinc/74/83/45/519748345.db2.gz XVMOKDBKAXRWHP-UHFFFAOYSA-N 2 2 255.431 2.729 10 0 CFAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccco1 ZINC000062771669 519775937 /nfs/dbraw/zinc/77/59/37/519775937.db2.gz XQXDHCNXHSUXFZ-KBPBESRZSA-N 2 2 252.402 2.777 10 0 CFAELP CC(C)Oc1ncccc1C[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000052205848 519785955 /nfs/dbraw/zinc/78/59/55/519785955.db2.gz PFJQWPSILVNJDR-MRXNPFEDSA-N 2 2 291.439 2.833 10 0 CFAELP CC(C)Oc1ncccc1C[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000052205848 519785956 /nfs/dbraw/zinc/78/59/56/519785956.db2.gz PFJQWPSILVNJDR-MRXNPFEDSA-N 2 2 291.439 2.833 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]CCCOc1ccccc1 ZINC000061815735 519793558 /nfs/dbraw/zinc/79/35/58/519793558.db2.gz QELGJWJVPYTGNM-MRXNPFEDSA-N 2 2 264.413 2.631 10 0 CFAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]Cc1ccccc1N1CCCC1 ZINC000049198318 519793764 /nfs/dbraw/zinc/79/37/64/519793764.db2.gz BEWDIONLDCFHNE-QGZVFWFLSA-N 2 2 289.467 2.963 10 0 CFAELP CC(C)[C@H](C[NH2+]C(C)(C)C)[N@H+](C)CCc1ccccn1 ZINC000052423737 519815925 /nfs/dbraw/zinc/81/59/25/519815925.db2.gz ZCBQDTRSTAMPNE-INIZCTEOSA-N 2 2 277.456 2.969 10 0 CFAELP CC(C)[C@H](C[NH2+]C(C)(C)C)[N@@H+](C)CCc1ccccn1 ZINC000052423737 519815926 /nfs/dbraw/zinc/81/59/26/519815926.db2.gz ZCBQDTRSTAMPNE-INIZCTEOSA-N 2 2 277.456 2.969 10 0 CFAELP CCC1CC[NH+]([C@H](C[NH3+])c2cc(OC)cc(OC)c2)CC1 ZINC000048907414 519859451 /nfs/dbraw/zinc/85/94/51/519859451.db2.gz IQEJBXBVKOWDNX-QGZVFWFLSA-N 2 2 292.423 2.826 10 0 CFAELP CC(C)n1ccnc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195516054 520030217 /nfs/dbraw/zinc/03/02/17/520030217.db2.gz ZZTLYJAFTQLKAA-OAHLLOKOSA-N 2 2 299.422 2.793 10 0 CFAELP CC(C)n1ccnc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195516054 520030225 /nfs/dbraw/zinc/03/02/25/520030225.db2.gz ZZTLYJAFTQLKAA-OAHLLOKOSA-N 2 2 299.422 2.793 10 0 CFAELP CCC[NH2+][C@H]1CC[N@@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000049183919 520093912 /nfs/dbraw/zinc/09/39/12/520093912.db2.gz WBTZCOPLYMPYAR-JSGCOSHPSA-N 2 2 252.427 2.753 10 0 CFAELP CCC[NH2+][C@H]1CC[N@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000049183919 520093919 /nfs/dbraw/zinc/09/39/19/520093919.db2.gz WBTZCOPLYMPYAR-JSGCOSHPSA-N 2 2 252.427 2.753 10 0 CFAELP CC[N@H+](CC(C)C)[C@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596585 520415670 /nfs/dbraw/zinc/41/56/70/520415670.db2.gz SXFMIYKMUOKUGT-OAHLLOKOSA-N 2 2 264.413 2.981 10 0 CFAELP CC[N@@H+](CC(C)C)[C@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596585 520415676 /nfs/dbraw/zinc/41/56/76/520415676.db2.gz SXFMIYKMUOKUGT-OAHLLOKOSA-N 2 2 264.413 2.981 10 0 CFAELP CCO[C@H]1CCC[N@@H+]([C@@H](C[NH2+]CC(C)C)C(C)C)C1 ZINC000052372062 520527098 /nfs/dbraw/zinc/52/70/98/520527098.db2.gz VUSGWXBLENFYGZ-HOTGVXAUSA-N 2 2 270.461 2.758 10 0 CFAELP CCO[C@H]1CCC[N@H+]([C@@H](C[NH2+]CC(C)C)C(C)C)C1 ZINC000052372062 520527107 /nfs/dbraw/zinc/52/71/07/520527107.db2.gz VUSGWXBLENFYGZ-HOTGVXAUSA-N 2 2 270.461 2.758 10 0 CFAELP CC[N@H+](CC1CC1)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000069237114 520969141 /nfs/dbraw/zinc/96/91/41/520969141.db2.gz DFAYKOLOLDTJHK-IAQYHMDHSA-N 2 2 250.361 2.946 10 0 CFAELP CCC(CC)(C[NH3+])[N@H+](C)Cc1ccc(F)cc1F ZINC000050872226 521426886 /nfs/dbraw/zinc/42/68/86/521426886.db2.gz ZKOFAXVKPFNBLL-UHFFFAOYSA-N 2 2 256.340 2.914 10 0 CFAELP CCC(CC)(C[NH3+])[N@@H+](C)Cc1ccc(F)cc1F ZINC000050872226 521426894 /nfs/dbraw/zinc/42/68/94/521426894.db2.gz ZKOFAXVKPFNBLL-UHFFFAOYSA-N 2 2 256.340 2.914 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193275229 521647982 /nfs/dbraw/zinc/64/79/82/521647982.db2.gz IPJKXJXQEZCODU-KRWDZBQOSA-N 2 2 288.435 2.628 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193275229 521647987 /nfs/dbraw/zinc/64/79/87/521647987.db2.gz IPJKXJXQEZCODU-KRWDZBQOSA-N 2 2 288.435 2.628 10 0 CFAELP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000246408397 521935793 /nfs/dbraw/zinc/93/57/93/521935793.db2.gz MHBYAJYNFHUXME-MELADBBJSA-N 2 2 291.443 2.511 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@H+](C)[C@@H]1CCSC1 ZINC000052203493 521953883 /nfs/dbraw/zinc/95/38/83/521953883.db2.gz ILGIWZPZIRWLIH-HIFRSBDPSA-N 2 2 264.438 2.686 10 0 CFAELP CCc1ccccc1[C@H](C[NH3+])[N@@H+](C)[C@@H]1CCSC1 ZINC000052203493 521953891 /nfs/dbraw/zinc/95/38/91/521953891.db2.gz ILGIWZPZIRWLIH-HIFRSBDPSA-N 2 2 264.438 2.686 10 0 CFAELP C[NH2+]C[C@H](C(C)C)[N@H+](Cc1ccsc1)C1CC1 ZINC000052541884 522063147 /nfs/dbraw/zinc/06/31/47/522063147.db2.gz SXTLTSDFCHZWCO-CQSZACIVSA-N 2 2 252.427 2.957 10 0 CFAELP C[NH2+]C[C@H](C(C)C)[N@@H+](Cc1ccsc1)C1CC1 ZINC000052541884 522063153 /nfs/dbraw/zinc/06/31/53/522063153.db2.gz SXTLTSDFCHZWCO-CQSZACIVSA-N 2 2 252.427 2.957 10 0 CFAELP CC[C@@H](C)[N@H+](CCOC)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069266515 522095298 /nfs/dbraw/zinc/09/52/98/522095298.db2.gz NGIAIEHEADBGDL-CZUORRHYSA-N 2 2 262.397 2.578 10 0 CFAELP CC[C@@H](C)[N@@H+](CCOC)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069266515 522095306 /nfs/dbraw/zinc/09/53/06/522095306.db2.gz NGIAIEHEADBGDL-CZUORRHYSA-N 2 2 262.397 2.578 10 0 CFAELP C[NH2+]Cc1ccoc1C[N@H+](Cc1ccco1)C1CC1 ZINC000052370839 522138678 /nfs/dbraw/zinc/13/86/78/522138678.db2.gz DORDILUJWNKOES-UHFFFAOYSA-N 2 2 260.337 2.757 10 0 CFAELP C[NH2+]Cc1ccoc1C[N@@H+](Cc1ccco1)C1CC1 ZINC000052370839 522138688 /nfs/dbraw/zinc/13/86/88/522138688.db2.gz DORDILUJWNKOES-UHFFFAOYSA-N 2 2 260.337 2.757 10 0 CFAELP C[NH2+]Cc1sc2ccccc2c1Cn1cc[nH+]c1 ZINC000052575357 522169662 /nfs/dbraw/zinc/16/96/62/522169662.db2.gz SQMQRSTZTWJIGO-UHFFFAOYSA-N 2 2 257.362 2.866 10 0 CFAELP C[NH2+][C@H]1c2ccccc2C[C@H]1[NH+]1Cc2ccccc2C1 ZINC000050910895 522509855 /nfs/dbraw/zinc/50/98/55/522509855.db2.gz NISGBDKNCUOQPO-MSOLQXFVSA-N 2 2 264.372 2.888 10 0 CFAELP C[NH2+][C@H]1c2ccccc2C[C@@H]1[NH+]1Cc2ccccc2C1 ZINC000050910893 522509934 /nfs/dbraw/zinc/50/99/34/522509934.db2.gz NISGBDKNCUOQPO-ROUUACIJSA-N 2 2 264.372 2.888 10 0 CFAELP CC[C@@H](C[NH2+]CC(C)C)[N@H+](CC)Cc1ccncc1 ZINC000052514885 522547757 /nfs/dbraw/zinc/54/77/57/522547757.db2.gz ICINVWPCJUUEER-INIZCTEOSA-N 2 2 263.429 2.928 10 0 CFAELP CC[C@@H](C[NH2+]CC(C)C)[N@@H+](CC)Cc1ccncc1 ZINC000052514885 522547764 /nfs/dbraw/zinc/54/77/64/522547764.db2.gz ICINVWPCJUUEER-INIZCTEOSA-N 2 2 263.429 2.928 10 0 CFAELP CC[C@@H]([NH2+]CC[NH+]1CCCCC1)c1ccc(O)cc1 ZINC000049574491 522832999 /nfs/dbraw/zinc/83/29/99/522832999.db2.gz KWANVRVRLRWVEO-MRXNPFEDSA-N 2 2 262.397 2.919 10 0 CFAELP C[N@H+](Cc1ccc(Cl)cc1)Cc1ccc[nH+]c1NN ZINC000052722283 523227448 /nfs/dbraw/zinc/22/74/48/523227448.db2.gz PUDFRBOGKHHXMR-UHFFFAOYSA-N 2 2 276.771 2.653 10 0 CFAELP C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc[nH+]c1NN ZINC000052722283 523227455 /nfs/dbraw/zinc/22/74/55/523227455.db2.gz PUDFRBOGKHHXMR-UHFFFAOYSA-N 2 2 276.771 2.653 10 0 CFAELP CC[C@](C)(C[NH3+])[N@H+](C)Cc1cc(C)ccc1OC ZINC000050702868 523461171 /nfs/dbraw/zinc/46/11/71/523461171.db2.gz PQJRMQAYWJGIBM-OAHLLOKOSA-N 2 2 250.386 2.563 10 0 CFAELP CC[C@](C)(C[NH3+])[N@@H+](C)Cc1cc(C)ccc1OC ZINC000050702868 523461180 /nfs/dbraw/zinc/46/11/80/523461180.db2.gz PQJRMQAYWJGIBM-OAHLLOKOSA-N 2 2 250.386 2.563 10 0 CFAELP C[NH+](C)C(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 ZINC000216348131 524033399 /nfs/dbraw/zinc/03/33/99/524033399.db2.gz NQFRAWRZMKUIQQ-XLWJZTARSA-N 2 2 250.430 2.741 10 0 CFAELP C[C@H](CC[NH+](C)C)N[C@H](c1cccs1)c1[nH+]ccn1C ZINC000049554050 524170297 /nfs/dbraw/zinc/17/02/97/524170297.db2.gz KTUHBXOOEBHJQD-TZMCWYRMSA-N 2 2 292.452 2.501 10 0 CFAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2cccc(F)c2)[C@@H]1C ZINC000050563468 524243881 /nfs/dbraw/zinc/24/38/81/524243881.db2.gz FBZZAHFKKSTEIQ-JMSVASOKSA-N 2 2 250.361 2.946 10 0 CFAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2cccc(F)c2)[C@@H]1C ZINC000050563468 524243885 /nfs/dbraw/zinc/24/38/85/524243885.db2.gz FBZZAHFKKSTEIQ-JMSVASOKSA-N 2 2 250.361 2.946 10 0 CFAELP Cc1ccc(C[N@@H+](C)C[C@@](C)([NH3+])c2ccccc2)o1 ZINC000052883305 524392656 /nfs/dbraw/zinc/39/26/56/524392656.db2.gz UQRMNLYAMAORPN-MRXNPFEDSA-N 2 2 258.365 2.894 10 0 CFAELP Cc1ccc(C[N@H+](C)C[C@@](C)([NH3+])c2ccccc2)o1 ZINC000052883305 524392665 /nfs/dbraw/zinc/39/26/65/524392665.db2.gz UQRMNLYAMAORPN-MRXNPFEDSA-N 2 2 258.365 2.894 10 0 CFAELP COc1ccc([C@H](C)[NH2+][C@H](C[NH+](C)C)C(C)C)cc1 ZINC000049195841 525335897 /nfs/dbraw/zinc/33/58/97/525335897.db2.gz GIGIULULWVURFH-XJKSGUPXSA-N 2 2 264.413 2.932 10 0 CFAELP Cc1c(C)n([C@@H](C)C[NH+]2CCCCC2)c2nc[nH+]c(N)c12 ZINC000049502410 525687742 /nfs/dbraw/zinc/68/77/42/525687742.db2.gz MWXKGSJFYXJPMP-NSHDSACASA-N 2 2 287.411 2.677 10 0 CFAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+]2CCC[C@@H]2CCCO)s1 ZINC000052757242 525784686 /nfs/dbraw/zinc/78/46/86/525784686.db2.gz ZYQMDPXURXVPQZ-UMVBOHGHSA-N 2 2 282.453 2.682 10 0 CFAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+]2CCC[C@@H]2CCCO)s1 ZINC000052757242 525784676 /nfs/dbraw/zinc/78/46/76/525784676.db2.gz ZYQMDPXURXVPQZ-UMVBOHGHSA-N 2 2 282.453 2.682 10 0 CFAELP C[C@H](c1cccs1)[N@H+](C)Cc1csc(C[NH3+])n1 ZINC000052506766 526153936 /nfs/dbraw/zinc/15/39/36/526153936.db2.gz WRTHTLTUJBCZGE-SECBINFHSA-N 2 2 267.423 2.856 10 0 CFAELP C[C@H](c1cccs1)[N@@H+](C)Cc1csc(C[NH3+])n1 ZINC000052506766 526153943 /nfs/dbraw/zinc/15/39/43/526153943.db2.gz WRTHTLTUJBCZGE-SECBINFHSA-N 2 2 267.423 2.856 10 0 CFAELP Cc1oc(C[NH2+]CC(C)C)cc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000052476735 526774791 /nfs/dbraw/zinc/77/47/91/526774791.db2.gz WQTGIZMZGOROEH-UONOGXRCSA-N 2 2 294.439 2.943 10 0 CFAELP Cc1oc(C[NH2+]CC(C)C)cc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000052476735 526774798 /nfs/dbraw/zinc/77/47/98/526774798.db2.gz WQTGIZMZGOROEH-UONOGXRCSA-N 2 2 294.439 2.943 10 0 CFAELP O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000077204170 527668500 /nfs/dbraw/zinc/66/85/00/527668500.db2.gz RVDCUHDOQZLNMO-NVXWUHKLSA-N 2 2 285.391 2.513 10 0 CFAELP CC[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000394602887 574359660 /nfs/dbraw/zinc/35/96/60/574359660.db2.gz GIRHKZXNPKEUOS-OWCLPIDISA-N 2 2 268.445 2.513 10 0 CFAELP CC[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000394602887 574359663 /nfs/dbraw/zinc/35/96/63/574359663.db2.gz GIRHKZXNPKEUOS-OWCLPIDISA-N 2 2 268.445 2.513 10 0 CFAELP c1coc(C[NH2+]C2[C@@H]3C[C@H]2C[N@@H+](Cc2ccccc2)C3)c1 ZINC000399601298 619139136 /nfs/dbraw/zinc/13/91/36/619139136.db2.gz CLNMPXJNGYPDII-BYICEURKSA-N 2 2 282.387 2.890 10 0 CFAELP c1coc(C[NH2+]C2[C@@H]3C[C@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC000399601298 619139139 /nfs/dbraw/zinc/13/91/39/619139139.db2.gz CLNMPXJNGYPDII-BYICEURKSA-N 2 2 282.387 2.890 10 0 CFAELP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000151285307 529618964 /nfs/dbraw/zinc/61/89/64/529618964.db2.gz JZRYCJQUZZIGQE-KBPBESRZSA-N 2 2 282.453 2.636 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C)nc1C ZINC000187125979 282217154 /nfs/dbraw/zinc/21/71/54/282217154.db2.gz FEFLGRQEMWSQGJ-QGZVFWFLSA-N 2 2 284.407 2.868 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(C)nc1C ZINC000187125979 282217155 /nfs/dbraw/zinc/21/71/55/282217155.db2.gz FEFLGRQEMWSQGJ-QGZVFWFLSA-N 2 2 284.407 2.868 10 0 CFAELP [NH3+]CCC1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000090804029 347557514 /nfs/dbraw/zinc/55/75/14/347557514.db2.gz LJSLLYALFBHTFQ-UHFFFAOYSA-N 2 2 273.302 2.666 10 0 CFAELP C[C@@H]1CSC2(CC[NH+](Cc3ccccc3)CC2)[NH2+]1 ZINC000159143177 348010287 /nfs/dbraw/zinc/01/02/87/348010287.db2.gz IQXZTWUNSDBQSV-CYBMUJFWSA-N 2 2 262.422 2.704 10 0 CFAELP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC[N@H+](C)CC2)([NH+](C)C)C1 ZINC000086818873 179348717 /nfs/dbraw/zinc/34/87/17/179348717.db2.gz MTSNUDVBJHNNRO-ZACQAIPSSA-N 3 2 281.488 2.571 10 0 CFAELP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC[N@@H+](C)CC2)([NH+](C)C)C1 ZINC000086818873 179348718 /nfs/dbraw/zinc/34/87/18/179348718.db2.gz MTSNUDVBJHNNRO-ZACQAIPSSA-N 3 2 281.488 2.571 10 0 CFAELP Cc1cc2ccccc2[nH+]c1N1CC[C@@](C)(C[NH3+])C1 ZINC000235874431 348230385 /nfs/dbraw/zinc/23/03/85/348230385.db2.gz KIUJQVJZKIRWDA-INIZCTEOSA-N 2 2 255.365 2.718 10 0 CFAELP c1cc2c(s1)CC[NH2+][C@@]21CC[N@H+](Cc2ccccc2)C1 ZINC000307204944 348397222 /nfs/dbraw/zinc/39/72/22/348397222.db2.gz GUFISNFXMOUJJM-QGZVFWFLSA-N 2 2 284.428 2.995 10 0 CFAELP CCCC[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000590126586 348876694 /nfs/dbraw/zinc/87/66/94/348876694.db2.gz OUIKHKWLDQPVNH-SFHVURJKSA-N 2 2 290.451 2.744 10 0 CFAELP CCCC[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000590126586 348876698 /nfs/dbraw/zinc/87/66/98/348876698.db2.gz OUIKHKWLDQPVNH-SFHVURJKSA-N 2 2 290.451 2.744 10 0 CFAELP CCCC[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000590126586 348876702 /nfs/dbraw/zinc/87/67/02/348876702.db2.gz OUIKHKWLDQPVNH-SFHVURJKSA-N 2 2 290.451 2.744 10 0 CFAELP CCCC[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000590126586 348876707 /nfs/dbraw/zinc/87/67/07/348876707.db2.gz OUIKHKWLDQPVNH-SFHVURJKSA-N 2 2 290.451 2.744 10 0 CFAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]1O ZINC000398148492 539761503 /nfs/dbraw/zinc/76/15/03/539761503.db2.gz YFCDHPAADRDMDD-FGTMMUONSA-N 2 2 290.451 2.646 10 0 CFAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]1O ZINC000398148492 539761506 /nfs/dbraw/zinc/76/15/06/539761506.db2.gz YFCDHPAADRDMDD-FGTMMUONSA-N 2 2 290.451 2.646 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000105922551 186090863 /nfs/dbraw/zinc/09/08/63/186090863.db2.gz SUHIZSDQOQSYGT-INIZCTEOSA-N 2 2 284.407 2.720 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2ccncc2)C1 ZINC000105922551 186090864 /nfs/dbraw/zinc/09/08/64/186090864.db2.gz SUHIZSDQOQSYGT-INIZCTEOSA-N 2 2 284.407 2.720 10 0 CFAELP C[C@H]([NH2+][C@H]1C2CC[NH+](CC2)C12CC2)c1ccccc1 ZINC000616578589 352373688 /nfs/dbraw/zinc/37/36/88/352373688.db2.gz OVSYVGHNEHSUBT-BBRMVZONSA-N 2 2 256.393 2.964 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1ccc2cnccc2c1 ZINC000616614659 352384624 /nfs/dbraw/zinc/38/46/24/352384624.db2.gz HFXXASKXAIKCDR-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1ccc2cnccc2c1 ZINC000616614659 352384626 /nfs/dbraw/zinc/38/46/26/352384626.db2.gz HFXXASKXAIKCDR-MRXNPFEDSA-N 2 2 255.365 2.721 10 0 CFAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1ccc2nnccc2c1 ZINC000616624701 352389311 /nfs/dbraw/zinc/38/93/11/352389311.db2.gz GMWSECBKSRMZHD-INIZCTEOSA-N 2 2 270.380 2.506 10 0 CFAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1ccc2nnccc2c1 ZINC000616624701 352389312 /nfs/dbraw/zinc/38/93/12/352389312.db2.gz GMWSECBKSRMZHD-INIZCTEOSA-N 2 2 270.380 2.506 10 0 CFAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2cc3ccccc3cn2)C1 ZINC000616628628 352390658 /nfs/dbraw/zinc/39/06/58/352390658.db2.gz PMTUTEOYNSVQNC-INIZCTEOSA-N 2 2 269.392 2.763 10 0 CFAELP [NH3+]CC[N@H+]1CCCC[C@H](c2cc3ccccc3cn2)C1 ZINC000616628628 352390660 /nfs/dbraw/zinc/39/06/60/352390660.db2.gz PMTUTEOYNSVQNC-INIZCTEOSA-N 2 2 269.392 2.763 10 0 CFAELP [NH3+][C@@H]1CCC[C@H]2CN(c3[nH+]ccc4ccccc43)C[C@H]21 ZINC000228549012 540105206 /nfs/dbraw/zinc/10/52/06/540105206.db2.gz CTNUZUYERFUQDG-NUEKZKHPSA-N 2 2 267.376 2.798 10 0 CFAELP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889019 355614753 /nfs/dbraw/zinc/61/47/53/355614753.db2.gz BMCWBICFLVGTGA-MCIONIFRSA-N 2 2 272.383 2.886 10 0 CFAELP FC1(F)CCCC[C@@H]1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889019 355614756 /nfs/dbraw/zinc/61/47/56/355614756.db2.gz BMCWBICFLVGTGA-MCIONIFRSA-N 2 2 272.383 2.886 10 0 CFAELP [NH3+][C@@H]1CCC[C@@H]2CN(c3[nH+]ccc4ccccc43)C[C@@H]21 ZINC000230133032 540200357 /nfs/dbraw/zinc/20/03/57/540200357.db2.gz CTNUZUYERFUQDG-VNQPRFMTSA-N 2 2 267.376 2.798 10 0 CFAELP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3nc4cccnc4s3)C2)[nH]1 ZINC000328899619 202104080 /nfs/dbraw/zinc/10/40/80/202104080.db2.gz XNEWCRGDSHCIJP-NSHDSACASA-N 2 2 299.403 2.794 10 0 CFAELP c1c[nH+]c([C@H]2CCC[N@H+](Cc3nc4cccnc4s3)C2)[nH]1 ZINC000328899619 202104082 /nfs/dbraw/zinc/10/40/82/202104082.db2.gz XNEWCRGDSHCIJP-NSHDSACASA-N 2 2 299.403 2.794 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cccc(Br)c1 ZINC000675053702 540314725 /nfs/dbraw/zinc/31/47/25/540314725.db2.gz KRTDQPUUYZWPEJ-CHWSQXEVSA-N 2 2 283.213 2.933 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cccc(Br)c1 ZINC000675053702 540314728 /nfs/dbraw/zinc/31/47/28/540314728.db2.gz KRTDQPUUYZWPEJ-CHWSQXEVSA-N 2 2 283.213 2.933 10 0 CFAELP CO[C@@H]1CCC[C@@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)C1 ZINC000251458649 540387460 /nfs/dbraw/zinc/38/74/60/540387460.db2.gz YJUMQRDRLFDBJK-RBSFLKMASA-N 2 2 256.434 2.510 10 0 CFAELP C[C@@H]1C[C@@H]([NH2+][C@H](C[NH+](C)C)c2ccccc2)C[C@H](C)O1 ZINC000252100361 540558475 /nfs/dbraw/zinc/55/84/75/540558475.db2.gz IHMLWRFHKHIMEU-YALNPMBYSA-N 2 2 276.424 2.835 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC000178302114 189104669 /nfs/dbraw/zinc/10/46/69/189104669.db2.gz MOYGQIHYMVLLHG-MRXNPFEDSA-N 2 2 287.411 2.634 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC000178302114 189104670 /nfs/dbraw/zinc/10/46/70/189104670.db2.gz MOYGQIHYMVLLHG-MRXNPFEDSA-N 2 2 287.411 2.634 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnn2ccccc12 ZINC000180130541 189238275 /nfs/dbraw/zinc/23/82/75/189238275.db2.gz YQKKQIUETONAJQ-MRXNPFEDSA-N 2 2 295.390 2.504 10 0 CFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnn2ccccc12 ZINC000180130541 189238276 /nfs/dbraw/zinc/23/82/76/189238276.db2.gz YQKKQIUETONAJQ-MRXNPFEDSA-N 2 2 295.390 2.504 10 0 CFAELP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000311021931 541026850 /nfs/dbraw/zinc/02/68/50/541026850.db2.gz RBWGJQSHGSMCPT-QWRGUYRKSA-N 2 2 290.860 2.753 10 0 CFAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000311021931 541026854 /nfs/dbraw/zinc/02/68/54/541026854.db2.gz RBWGJQSHGSMCPT-QWRGUYRKSA-N 2 2 290.860 2.753 10 0 CFAELP C[C@H]([NH3+])c1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000041162272 372824637 /nfs/dbraw/zinc/82/46/37/372824637.db2.gz SUCIVZMNCYBLMX-NSHDSACASA-N 2 2 273.405 2.721 10 0 CFAELP C[C@H]([NH3+])c1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000041162272 372824645 /nfs/dbraw/zinc/82/46/45/372824645.db2.gz SUCIVZMNCYBLMX-NSHDSACASA-N 2 2 273.405 2.721 10 0 CFAELP CC[NH+](CC)CC[NH2+]CCc1ccc(Cl)cc1 ZINC000042396436 372917707 /nfs/dbraw/zinc/91/77/07/372917707.db2.gz QDZKKKBVXDJLFH-UHFFFAOYSA-N 2 2 254.805 2.814 10 0 CFAELP Cc1[nH+]c(-c2ccncc2)nc(NC[C@H]2CCC[NH2+]C2)c1C ZINC000070456272 374180098 /nfs/dbraw/zinc/18/00/98/374180098.db2.gz PCNANJPZLSLZFK-AWEZNQCLSA-N 2 2 297.406 2.567 10 0 CFAELP CCc1c(C)[nH+]c(C(C)C)nc1N1CCC(C[NH3+])CC1 ZINC000070456177 374180111 /nfs/dbraw/zinc/18/01/11/374180111.db2.gz KGBPGIRFPAJFJX-UHFFFAOYSA-N 2 2 276.428 2.646 10 0 CFAELP Cc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2cccc(Cl)c2)[nH+]1 ZINC000070455914 374179323 /nfs/dbraw/zinc/17/93/23/374179323.db2.gz JUEBMSSDFOJRLT-CYBMUJFWSA-N 2 2 288.782 2.643 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnoc2C)C1 ZINC000128553163 377345871 /nfs/dbraw/zinc/34/58/71/377345871.db2.gz SALSQAPMQSPULD-CQSZACIVSA-N 2 2 274.368 2.579 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnoc2C)C1 ZINC000128553163 377345875 /nfs/dbraw/zinc/34/58/75/377345875.db2.gz SALSQAPMQSPULD-CQSZACIVSA-N 2 2 274.368 2.579 10 0 CFAELP COC1CCC([NH2+][C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000129840139 377479520 /nfs/dbraw/zinc/47/95/20/377479520.db2.gz RWMXVTHFCKITAW-OFLPRAFFSA-N 2 2 276.424 2.837 10 0 CFAELP CCc1[nH+]ccn1[C@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000132294769 377825876 /nfs/dbraw/zinc/82/58/76/377825876.db2.gz BNZZDJKGRSWZDR-INIZCTEOSA-N 2 2 290.455 2.568 10 0 CFAELP CC(C)[C@H]([NH3+])CCN(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000133583607 377941793 /nfs/dbraw/zinc/94/17/93/377941793.db2.gz HXBCMHDSFMPBJZ-LLVKDONJSA-N 2 2 275.318 2.910 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000135056387 378078180 /nfs/dbraw/zinc/07/81/80/378078180.db2.gz OTVNQPNATBNQRX-GFCCVEGCSA-N 2 2 276.409 2.739 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000135056387 378078183 /nfs/dbraw/zinc/07/81/83/378078183.db2.gz OTVNQPNATBNQRX-GFCCVEGCSA-N 2 2 276.409 2.739 10 0 CFAELP Cl/C=C/C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151106768 378296439 /nfs/dbraw/zinc/29/64/39/378296439.db2.gz QHPWZLNQOUTCRK-UXONFWTHSA-N 2 2 251.761 2.568 10 0 CFAELP Cl/C=C/C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151106768 378296443 /nfs/dbraw/zinc/29/64/43/378296443.db2.gz QHPWZLNQOUTCRK-UXONFWTHSA-N 2 2 251.761 2.568 10 0 CFAELP c1n[nH]cc1[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161829421 378874108 /nfs/dbraw/zinc/87/41/08/378874108.db2.gz HLMGVOGIEBWBCP-INIZCTEOSA-N 2 2 276.428 2.813 10 0 CFAELP c1n[nH]cc1[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161829421 378874117 /nfs/dbraw/zinc/87/41/17/378874117.db2.gz HLMGVOGIEBWBCP-INIZCTEOSA-N 2 2 276.428 2.813 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(C)no2)C1 ZINC000171613850 379354265 /nfs/dbraw/zinc/35/42/65/379354265.db2.gz JWNIGIOIFXRSOV-CYBMUJFWSA-N 2 2 274.368 2.579 10 0 CFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(C)no2)C1 ZINC000171613850 379354273 /nfs/dbraw/zinc/35/42/73/379354273.db2.gz JWNIGIOIFXRSOV-CYBMUJFWSA-N 2 2 274.368 2.579 10 0 CFAELP CC[N@@H+]1CCC[C@H]1CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000175168148 380011311 /nfs/dbraw/zinc/01/13/11/380011311.db2.gz NZQXOWMXDXSXAB-AWEZNQCLSA-N 2 2 274.412 2.583 10 0 CFAELP CC[N@H+]1CCC[C@H]1CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000175168148 380011320 /nfs/dbraw/zinc/01/13/20/380011320.db2.gz NZQXOWMXDXSXAB-AWEZNQCLSA-N 2 2 274.412 2.583 10 0 CFAELP CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000177711657 380372646 /nfs/dbraw/zinc/37/26/46/380372646.db2.gz XOTXNUYWZUGJGI-SFHVURJKSA-N 2 2 298.434 2.788 10 0 CFAELP CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000177711657 380372653 /nfs/dbraw/zinc/37/26/53/380372653.db2.gz XOTXNUYWZUGJGI-SFHVURJKSA-N 2 2 298.434 2.788 10 0 CFAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2ccc(C)cn12 ZINC000182075839 380985703 /nfs/dbraw/zinc/98/57/03/380985703.db2.gz STVILNLTICAVOC-JKSUJKDBSA-N 2 2 298.434 2.701 10 0 CFAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2ccc(C)cn12 ZINC000182075839 380985710 /nfs/dbraw/zinc/98/57/10/380985710.db2.gz STVILNLTICAVOC-JKSUJKDBSA-N 2 2 298.434 2.701 10 0 CFAELP CCOc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000188397892 382406474 /nfs/dbraw/zinc/40/64/74/382406474.db2.gz WIDMNUNEDDDNIL-INIZCTEOSA-N 2 2 285.391 2.946 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1F ZINC000358404916 382602123 /nfs/dbraw/zinc/60/21/23/382602123.db2.gz QTCQXNBXBOOPSF-SLEUVZQESA-N 2 2 250.361 2.735 10 0 CFAELP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1F ZINC000358404916 382602125 /nfs/dbraw/zinc/60/21/25/382602125.db2.gz QTCQXNBXBOOPSF-SLEUVZQESA-N 2 2 250.361 2.735 10 0 CFAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2cccc(C)c2)C1 ZINC000389194016 382612765 /nfs/dbraw/zinc/61/27/65/382612765.db2.gz WLKOVTOMPNSQPH-DOTOQJQBSA-N 2 2 260.425 3.000 10 0 CFAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2cccc(C)c2)C1 ZINC000389194016 382612766 /nfs/dbraw/zinc/61/27/66/382612766.db2.gz WLKOVTOMPNSQPH-DOTOQJQBSA-N 2 2 260.425 3.000 10 0 CFAELP CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390659218 382618937 /nfs/dbraw/zinc/61/89/37/382618937.db2.gz LCWLMKRMTRWPLZ-SJORKVTESA-N 2 2 290.451 2.648 10 0 CFAELP CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390659218 382618939 /nfs/dbraw/zinc/61/89/39/382618939.db2.gz LCWLMKRMTRWPLZ-SJORKVTESA-N 2 2 290.451 2.648 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000336905170 382739982 /nfs/dbraw/zinc/73/99/82/382739982.db2.gz WPAFIOXREDRDET-TUAOUCFPSA-N 2 2 264.335 2.791 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000336905170 382739983 /nfs/dbraw/zinc/73/99/83/382739983.db2.gz WPAFIOXREDRDET-TUAOUCFPSA-N 2 2 264.335 2.791 10 0 CFAELP C[N@H+](Cc1cc(F)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231462197 382864777 /nfs/dbraw/zinc/86/47/77/382864777.db2.gz OWXGKRJCBGMJHU-CYBMUJFWSA-N 2 2 254.324 2.539 10 0 CFAELP C[N@@H+](Cc1cc(F)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231462197 382864780 /nfs/dbraw/zinc/86/47/80/382864780.db2.gz OWXGKRJCBGMJHU-CYBMUJFWSA-N 2 2 254.324 2.539 10 0 CFAELP C[N@H+](Cc1cccc(F)c1F)[C@H]1CCC[NH2+]CC1 ZINC000231461355 382865076 /nfs/dbraw/zinc/86/50/76/382865076.db2.gz PTYRLUYRHLZBDZ-LBPRGKRZSA-N 2 2 254.324 2.539 10 0 CFAELP C[N@@H+](Cc1cccc(F)c1F)[C@H]1CCC[NH2+]CC1 ZINC000231461355 382865078 /nfs/dbraw/zinc/86/50/78/382865078.db2.gz PTYRLUYRHLZBDZ-LBPRGKRZSA-N 2 2 254.324 2.539 10 0 CFAELP C[C@H]1CCC[C@](CNc2nc[nH+]c(N)c2Cl)([NH+](C)C)C1 ZINC000235646072 382884536 /nfs/dbraw/zinc/88/45/36/382884536.db2.gz WUIPUUIUDSWUCJ-HZMBPMFUSA-N 2 2 297.834 2.635 10 0 CFAELP CC(C)(C)c1csc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000261583908 383519878 /nfs/dbraw/zinc/51/98/78/383519878.db2.gz HLSGCCJGRLGHJF-SDDRHHMPSA-N 2 2 279.453 2.610 10 0 CFAELP CC(C)(C)c1csc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000261583908 383519884 /nfs/dbraw/zinc/51/98/84/383519884.db2.gz HLSGCCJGRLGHJF-SDDRHHMPSA-N 2 2 279.453 2.610 10 0 CFAELP C[C@H]1C[N@H+](Cc2ccccc2OC2CCCC2)C[C@@H]1[NH3+] ZINC000261982909 383590218 /nfs/dbraw/zinc/59/02/18/383590218.db2.gz JKYDSULEYHNQQX-BBRMVZONSA-N 2 2 274.408 2.787 10 0 CFAELP C[C@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)C[C@@H]1[NH3+] ZINC000261982909 383590220 /nfs/dbraw/zinc/59/02/20/383590220.db2.gz JKYDSULEYHNQQX-BBRMVZONSA-N 2 2 274.408 2.787 10 0 CFAELP CC(C)(C)C[N@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000261776137 383558644 /nfs/dbraw/zinc/55/86/44/383558644.db2.gz PELKUPDGBDOVTP-UHFFFAOYSA-N 2 2 288.395 2.577 10 0 CFAELP CC(C)(C)C[N@@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000261776137 383558649 /nfs/dbraw/zinc/55/86/49/383558649.db2.gz PELKUPDGBDOVTP-UHFFFAOYSA-N 2 2 288.395 2.577 10 0 CFAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000531706420 383908560 /nfs/dbraw/zinc/90/85/60/383908560.db2.gz VINDJUXLQSFONZ-XYPHTWIQSA-N 2 2 258.409 2.994 10 0 CFAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000531706420 383908565 /nfs/dbraw/zinc/90/85/65/383908565.db2.gz VINDJUXLQSFONZ-XYPHTWIQSA-N 2 2 258.409 2.994 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070356763 412974532 /nfs/dbraw/zinc/97/45/32/412974532.db2.gz SMCALDNRPCRDTP-ZIAGYGMSSA-N 2 2 256.434 2.510 10 0 CFAELP Cc1nc(N2CCC[C@@H]2Cn2cc[nH+]c2)c2c([nH+]1)CCCC2 ZINC000272802013 385618813 /nfs/dbraw/zinc/61/88/13/385618813.db2.gz AULTUWGXOLYEOZ-CQSZACIVSA-N 2 2 297.406 2.529 10 0 CFAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cn2cc(C)ccc2[nH+]1 ZINC000180845681 393485756 /nfs/dbraw/zinc/48/57/56/393485756.db2.gz XYZBJGJYFARTSJ-IAGOWNOFSA-N 2 2 298.434 2.701 10 0 CFAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cn2cc(C)ccc2[nH+]1 ZINC000180845681 393485764 /nfs/dbraw/zinc/48/57/64/393485764.db2.gz XYZBJGJYFARTSJ-IAGOWNOFSA-N 2 2 298.434 2.701 10 0 CFAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H]1CC2CCC1CC2 ZINC000381745748 393567219 /nfs/dbraw/zinc/56/72/19/393567219.db2.gz VDVIEYQIKBNTSP-WVTZPBJPSA-N 2 2 250.430 2.885 10 0 CFAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H]1CC2CCC1CC2 ZINC000381745748 393567224 /nfs/dbraw/zinc/56/72/24/393567224.db2.gz VDVIEYQIKBNTSP-WVTZPBJPSA-N 2 2 250.430 2.885 10 0 CFAELP [NH3+]C1CCC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000051692774 393617576 /nfs/dbraw/zinc/61/75/76/393617576.db2.gz PNEJKUUZYHZXDK-DAWZGUTISA-N 3 2 287.451 2.511 10 0 CFAELP [NH3+]C1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000051692774 393617578 /nfs/dbraw/zinc/61/75/78/393617578.db2.gz PNEJKUUZYHZXDK-DAWZGUTISA-N 3 2 287.451 2.511 10 0 CFAELP c1ccc2c(C[NH2+][C@H]3CC[N@@H+](C4CC4)C3)ccnc2c1 ZINC000111763686 393887953 /nfs/dbraw/zinc/88/79/53/393887953.db2.gz OMMYERJOBYXYIU-AWEZNQCLSA-N 2 2 267.376 2.561 10 0 CFAELP c1ccc2c(C[NH2+][C@H]3CC[N@H+](C4CC4)C3)ccnc2c1 ZINC000111763686 393887956 /nfs/dbraw/zinc/88/79/56/393887956.db2.gz OMMYERJOBYXYIU-AWEZNQCLSA-N 2 2 267.376 2.561 10 0 CFAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000358379661 394106380 /nfs/dbraw/zinc/10/63/80/394106380.db2.gz KPWWVJQOEXTVKA-BPLDGKMQSA-N 2 2 274.408 2.829 10 0 CFAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000358379661 394106381 /nfs/dbraw/zinc/10/63/81/394106381.db2.gz KPWWVJQOEXTVKA-BPLDGKMQSA-N 2 2 274.408 2.829 10 0 CFAELP C[C@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000037220939 543027643 /nfs/dbraw/zinc/02/76/43/543027643.db2.gz HYNUQTQSUJIMRY-MAUKXSAKSA-N 3 2 289.467 2.609 10 0 CFAELP CCOc1ccccc1[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000657337046 413467694 /nfs/dbraw/zinc/46/76/94/413467694.db2.gz GNMNUCIHTLOTEA-GFCCVEGCSA-N 2 2 273.380 2.978 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@H+](C)CC(C)(C)C)c(OC)c1 ZINC000020226497 171091884 /nfs/dbraw/zinc/09/18/84/171091884.db2.gz IIOITFQAWAAGBW-AWEZNQCLSA-N 2 2 280.412 2.682 10 0 CFAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)CC(C)(C)C)c(OC)c1 ZINC000020226497 171091885 /nfs/dbraw/zinc/09/18/85/171091885.db2.gz IIOITFQAWAAGBW-AWEZNQCLSA-N 2 2 280.412 2.682 10 0 CFAELP [NH3+]C[C@H](c1cccc2ccccc21)[NH+]1CCSCC1 ZINC000020257090 171111710 /nfs/dbraw/zinc/11/17/10/171111710.db2.gz YMBZMNPMNOAMRN-MRXNPFEDSA-N 2 2 272.417 2.888 10 0 CFAELP CCCCCC[C@](C)(C[NH3+])[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020362574 171161539 /nfs/dbraw/zinc/16/15/39/171161539.db2.gz WYOFIUFFSPGFRM-SOUVJXGZSA-N 2 2 256.434 2.783 10 0 CFAELP COc1ccc2cc([C@H](C[NH3+])[NH+]3CCCC3)ccc2c1 ZINC000022171627 171368103 /nfs/dbraw/zinc/36/81/03/171368103.db2.gz PSPUHFINNBCEFH-KRWDZBQOSA-N 2 2 270.376 2.944 10 0 CFAELP [NH3+]C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCCCC1 ZINC000022214353 171374847 /nfs/dbraw/zinc/37/48/47/171374847.db2.gz ZBBUQQLMKQHPLR-ZDUSSCGKSA-N 2 2 270.323 2.774 10 0 CFAELP COc1ccccc1[C@H](C[NH3+])[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022221173 171378192 /nfs/dbraw/zinc/37/81/92/171378192.db2.gz JQJMVGYOLPLJQH-GUTXKFCHSA-N 2 2 262.397 2.673 10 0 CFAELP COc1ccccc1[C@H](C[NH3+])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022221173 171378194 /nfs/dbraw/zinc/37/81/94/171378194.db2.gz JQJMVGYOLPLJQH-GUTXKFCHSA-N 2 2 262.397 2.673 10 0 CFAELP [NH3+]CCCCCCc1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000035412244 172183478 /nfs/dbraw/zinc/18/34/78/172183478.db2.gz UCUDSYZXMMFEQK-UHFFFAOYSA-N 2 2 253.296 2.903 10 0 CFAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc2c(s1)CCC2 ZINC000035569997 172265158 /nfs/dbraw/zinc/26/51/58/172265158.db2.gz XDMCPZPTJGVUOD-NSHDSACASA-N 2 2 261.394 2.853 10 0 CFAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc2c(s1)CCC2 ZINC000035569999 172265261 /nfs/dbraw/zinc/26/52/61/172265261.db2.gz XDMCPZPTJGVUOD-LLVKDONJSA-N 2 2 261.394 2.853 10 0 CFAELP [NH3+][C@H]1CC[N@@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000037242428 173058909 /nfs/dbraw/zinc/05/89/09/173058909.db2.gz QLKYGWGJAGFORZ-INIZCTEOSA-N 2 2 252.361 2.809 10 0 CFAELP [NH3+][C@H]1CC[N@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000037242428 173058912 /nfs/dbraw/zinc/05/89/12/173058912.db2.gz QLKYGWGJAGFORZ-INIZCTEOSA-N 2 2 252.361 2.809 10 0 CFAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655708563 414380679 /nfs/dbraw/zinc/38/06/79/414380679.db2.gz KQPKOJRAFUQSEP-HZSPNIEDSA-N 2 2 258.475 2.836 10 0 CFAELP C[N@H+](Cc1noc(C[NH3+])n1)C1CC(C)(C)CC(C)(C)C1 ZINC000662302852 414500419 /nfs/dbraw/zinc/50/04/19/414500419.db2.gz OMYLXSGSNZQUDM-UHFFFAOYSA-N 2 2 280.416 2.565 10 0 CFAELP C[N@@H+](Cc1noc(C[NH3+])n1)C1CC(C)(C)CC(C)(C)C1 ZINC000662302852 414500424 /nfs/dbraw/zinc/50/04/24/414500424.db2.gz OMYLXSGSNZQUDM-UHFFFAOYSA-N 2 2 280.416 2.565 10 0 CFAELP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000038028858 174018076 /nfs/dbraw/zinc/01/80/76/174018076.db2.gz FEKDDEAPCQPNIG-IAGOWNOFSA-N 3 2 295.515 2.961 10 0 CFAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000040502649 174298607 /nfs/dbraw/zinc/29/86/07/174298607.db2.gz CIYKNDRXPLUXKN-HOCLYGCPSA-N 2 2 276.424 2.700 10 0 CFAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000040502649 174298609 /nfs/dbraw/zinc/29/86/09/174298609.db2.gz CIYKNDRXPLUXKN-HOCLYGCPSA-N 2 2 276.424 2.700 10 0 CFAELP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000040502628 174298966 /nfs/dbraw/zinc/29/89/66/174298966.db2.gz FHLVZLMCOQPDOV-DOTOQJQBSA-N 3 2 281.488 2.571 10 0 CFAELP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000040502628 174298967 /nfs/dbraw/zinc/29/89/67/174298967.db2.gz FHLVZLMCOQPDOV-DOTOQJQBSA-N 3 2 281.488 2.571 10 0 CFAELP Cc1ccc(C)c([C@H](C)[NH2+]CCc2[nH+]ccn2C)c1 ZINC000040638779 174363166 /nfs/dbraw/zinc/36/31/66/174363166.db2.gz PTDUNISMRMNYSD-AWEZNQCLSA-N 2 2 257.381 2.930 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+][C@H]1CCCc2ccccc21 ZINC000040638895 174363269 /nfs/dbraw/zinc/36/32/69/174363269.db2.gz MQESXUGDOOEODK-HNNXBMFYSA-N 2 2 255.365 2.630 10 0 CFAELP C[C@H]([NH2+]CCc1[nH+]ccn1C)c1cccc(Cl)c1 ZINC000040638829 174363277 /nfs/dbraw/zinc/36/32/77/174363277.db2.gz YTHOYVYWYPSZIN-NSHDSACASA-N 2 2 263.772 2.967 10 0 CFAELP CC(C)[C@H]([NH2+]CCc1[nH+]ccn1C)c1ccccc1 ZINC000040639325 174363838 /nfs/dbraw/zinc/36/38/38/174363838.db2.gz MLZNHHMZRDFBOO-INIZCTEOSA-N 2 2 257.381 2.950 10 0 CFAELP Cn1cc[nH+]c1CC[NH2+][C@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000040639199 174363950 /nfs/dbraw/zinc/36/39/50/174363950.db2.gz WHXGUUPOGURUNB-KFWWJZLASA-N 2 2 261.413 2.911 10 0 CFAELP COCc1cc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)ccc1OC ZINC000040672750 174371632 /nfs/dbraw/zinc/37/16/32/174371632.db2.gz ODAVVODLPKJCBH-CJNGLKHVSA-N 2 2 292.423 2.586 10 0 CFAELP COCc1cc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000040672750 174371634 /nfs/dbraw/zinc/37/16/34/174371634.db2.gz ODAVVODLPKJCBH-CJNGLKHVSA-N 2 2 292.423 2.586 10 0 CFAELP CCOC1CC[NH+]([C@@H](C[NH3+])c2ccc(C)c(C)c2)CC1 ZINC000040678585 174374692 /nfs/dbraw/zinc/37/46/92/174374692.db2.gz RUAUASAXAIRLTG-KRWDZBQOSA-N 2 2 276.424 2.804 10 0 CFAELP Nc1ccc(F)cc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693585 174377554 /nfs/dbraw/zinc/37/75/54/174377554.db2.gz AWHJUFMTLQRZGJ-UHFFFAOYSA-N 2 2 291.414 2.858 10 0 CFAELP CCCc1nc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cs1 ZINC000040750179 174395383 /nfs/dbraw/zinc/39/53/83/174395383.db2.gz RUJCEOXEIGVWSA-VGPLMAKISA-N 2 2 265.426 2.550 10 0 CFAELP CCCc1nc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cs1 ZINC000040750179 174395385 /nfs/dbraw/zinc/39/53/85/174395385.db2.gz RUJCEOXEIGVWSA-VGPLMAKISA-N 2 2 265.426 2.550 10 0 CFAELP C[C@@H]1c2ccsc2CC[N@H+]1CCC[NH2+]C1CC1 ZINC000042779738 174875945 /nfs/dbraw/zinc/87/59/45/174875945.db2.gz NWTQLLVDQSZYQU-LLVKDONJSA-N 2 2 250.411 2.809 10 0 CFAELP C[C@@H]1c2ccsc2CC[N@@H+]1CCC[NH2+]C1CC1 ZINC000042779738 174875946 /nfs/dbraw/zinc/87/59/46/174875946.db2.gz NWTQLLVDQSZYQU-LLVKDONJSA-N 2 2 250.411 2.809 10 0 CFAELP C[C@H]([NH3+])[C@H](c1cccc(Br)c1)n1cc[nH+]c1 ZINC000043022042 174945428 /nfs/dbraw/zinc/94/54/28/174945428.db2.gz YPXYPTBABBAGJL-JOYOIKCWSA-N 2 2 280.169 2.582 10 0 CFAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)c1C ZINC000043314609 175004663 /nfs/dbraw/zinc/00/46/63/175004663.db2.gz DAJWRRLKQOKOFK-HIFRSBDPSA-N 2 2 264.438 2.741 10 0 CFAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)c1C ZINC000043314609 175004664 /nfs/dbraw/zinc/00/46/64/175004664.db2.gz DAJWRRLKQOKOFK-HIFRSBDPSA-N 2 2 264.438 2.741 10 0 CFAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)CCc2ccncc2)c1C ZINC000043314726 175004668 /nfs/dbraw/zinc/00/46/68/175004668.db2.gz FJPGCUSWGIJGNV-SFHVURJKSA-N 2 2 283.419 2.873 10 0 CFAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)CCc2ccncc2)c1C ZINC000043314726 175004669 /nfs/dbraw/zinc/00/46/69/175004669.db2.gz FJPGCUSWGIJGNV-SFHVURJKSA-N 2 2 283.419 2.873 10 0 CFAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)CCc2ccccn2)c1C ZINC000043314516 175004817 /nfs/dbraw/zinc/00/48/17/175004817.db2.gz MQULFPVQEQCLTF-GOSISDBHSA-N 2 2 283.419 2.873 10 0 CFAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)CCc2ccccn2)c1C ZINC000043314516 175004819 /nfs/dbraw/zinc/00/48/19/175004819.db2.gz MQULFPVQEQCLTF-GOSISDBHSA-N 2 2 283.419 2.873 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000043336235 175011843 /nfs/dbraw/zinc/01/18/43/175011843.db2.gz SAOBDZVWPGKSBE-DUVNUKRYSA-N 2 2 280.412 2.805 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000043336235 175011844 /nfs/dbraw/zinc/01/18/44/175011844.db2.gz SAOBDZVWPGKSBE-DUVNUKRYSA-N 2 2 280.412 2.805 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@H+](CCO)C1CCCCC1 ZINC000043336139 175012115 /nfs/dbraw/zinc/01/21/15/175012115.db2.gz PGHXHFBQXRWWKS-GOEBONIOSA-N 2 2 280.412 2.685 10 0 CFAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@@H+](CCO)C1CCCCC1 ZINC000043336139 175012117 /nfs/dbraw/zinc/01/21/17/175012117.db2.gz PGHXHFBQXRWWKS-GOEBONIOSA-N 2 2 280.412 2.685 10 0 CFAELP C[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043339527 175013685 /nfs/dbraw/zinc/01/36/85/175013685.db2.gz TUISOYPMKJNRKA-LJIGWXMPSA-N 2 2 273.424 2.982 10 0 CFAELP C[C@H]([NH3+])[C@H](c1ccccn1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043339527 175013686 /nfs/dbraw/zinc/01/36/86/175013686.db2.gz TUISOYPMKJNRKA-LJIGWXMPSA-N 2 2 273.424 2.982 10 0 CFAELP CCC(CC)[N@@H+](CCOC)[C@@H](c1ccccn1)[C@H]([NH3+])CC ZINC000043341023 175014997 /nfs/dbraw/zinc/01/49/97/175014997.db2.gz FRACWHZVUBZZKS-NVXWUHKLSA-N 2 2 293.455 2.997 10 0 CFAELP CCC(CC)[N@H+](CCOC)[C@@H](c1ccccn1)[C@H]([NH3+])CC ZINC000043341023 175014999 /nfs/dbraw/zinc/01/49/99/175014999.db2.gz FRACWHZVUBZZKS-NVXWUHKLSA-N 2 2 293.455 2.997 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[NH+]1CCC(CC)CC1 ZINC000043347424 175017961 /nfs/dbraw/zinc/01/79/61/175017961.db2.gz ZPXCYLGIQNCIRH-JKSUJKDBSA-N 2 2 261.413 2.982 10 0 CFAELP Cc1cc2[nH+]cn([C@H](c3cccnc3)[C@@H](C)[NH3+])c2cc1C ZINC000043348814 175019279 /nfs/dbraw/zinc/01/92/79/175019279.db2.gz NQZZBDMVBAQIRU-DYVFJYSZSA-N 2 2 280.375 2.985 10 0 CFAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[NH+]1CCC(CC)CC1 ZINC000043354069 175021421 /nfs/dbraw/zinc/02/14/21/175021421.db2.gz MYYFLQVTCYKUFP-CVEARBPZSA-N 2 2 261.413 2.982 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043363838 175024921 /nfs/dbraw/zinc/02/49/21/175024921.db2.gz PJQYBULPDAETHE-YCPHGPKFSA-N 2 2 280.412 2.603 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+]1CCCC[C@@H]1CCO ZINC000043363838 175024923 /nfs/dbraw/zinc/02/49/23/175024923.db2.gz PJQYBULPDAETHE-YCPHGPKFSA-N 2 2 280.412 2.603 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+]1CCCSCC1 ZINC000043364688 175025722 /nfs/dbraw/zinc/02/57/22/175025722.db2.gz LEOLPEWUXRNKDF-JSGCOSHPSA-N 2 2 268.426 2.805 10 0 CFAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+]1CCCSCC1 ZINC000043364688 175025724 /nfs/dbraw/zinc/02/57/24/175025724.db2.gz LEOLPEWUXRNKDF-JSGCOSHPSA-N 2 2 268.426 2.805 10 0 CFAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@H+](CCO)C2CCCCC2)o1 ZINC000043365192 175026458 /nfs/dbraw/zinc/02/64/58/175026458.db2.gz SDCWMOUTEISNBD-XJKSGUPXSA-N 2 2 280.412 2.603 10 0 CFAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+](CCO)C2CCCCC2)o1 ZINC000043365192 175026459 /nfs/dbraw/zinc/02/64/59/175026459.db2.gz SDCWMOUTEISNBD-XJKSGUPXSA-N 2 2 280.412 2.603 10 0 CFAELP CCO[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2cc(C)cc(C)c2)C1 ZINC000043394471 175034890 /nfs/dbraw/zinc/03/48/90/175034890.db2.gz ZJWMXRXOMJJJLM-SJORKVTESA-N 2 2 276.424 2.804 10 0 CFAELP CCO[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2cc(C)cc(C)c2)C1 ZINC000043394471 175034891 /nfs/dbraw/zinc/03/48/91/175034891.db2.gz ZJWMXRXOMJJJLM-SJORKVTESA-N 2 2 276.424 2.804 10 0 CFAELP CC[N@H+](C[C@@H]1CCCO1)[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394373 175035235 /nfs/dbraw/zinc/03/52/35/175035235.db2.gz RPAOLVHBFCKZND-IRXDYDNUSA-N 2 2 276.424 2.804 10 0 CFAELP CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394373 175035237 /nfs/dbraw/zinc/03/52/37/175035237.db2.gz RPAOLVHBFCKZND-IRXDYDNUSA-N 2 2 276.424 2.804 10 0 CFAELP CC(C)[N@H+](CC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000043511969 175060442 /nfs/dbraw/zinc/06/04/42/175060442.db2.gz OFISLSCPEHPFAC-UHFFFAOYSA-N 2 2 260.303 2.875 10 0 CFAELP CC(C)[N@@H+](CC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000043511969 175060443 /nfs/dbraw/zinc/06/04/43/175060443.db2.gz OFISLSCPEHPFAC-UHFFFAOYSA-N 2 2 260.303 2.875 10 0 CFAELP C[C@H](C[C@@H](C[NH3+])[NH+]1CCSCC1)c1ccccc1 ZINC000043534637 175062651 /nfs/dbraw/zinc/06/26/51/175062651.db2.gz XLZGFQJYVRSZNX-HIFRSBDPSA-N 2 2 264.438 2.556 10 0 CFAELP C[C@@H](C[C@H](C[NH3+])[NH+]1CCSCC1)c1ccccc1 ZINC000043534639 175062828 /nfs/dbraw/zinc/06/28/28/175062828.db2.gz XLZGFQJYVRSZNX-DZGCQCFKSA-N 2 2 264.438 2.556 10 0 CFAELP COc1ccc(N(CCC[NH3+])c2cc(C)cc[nH+]2)cc1 ZINC000043561274 175066546 /nfs/dbraw/zinc/06/65/46/175066546.db2.gz YMYHKJKKPDFSLH-UHFFFAOYSA-N 2 2 271.364 2.886 10 0 CFAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[NH+]1CCCCCCC1)OCCO2 ZINC000043819242 175113663 /nfs/dbraw/zinc/11/36/63/175113663.db2.gz ICAHUEFQTIJZQT-CVEARBPZSA-N 2 2 296.455 2.526 10 0 CFAELP CC[N@H+](C)C[C@H]([NH2+]C)C12CC3CC(CC(C3)C1)C2 ZINC000043820000 175114196 /nfs/dbraw/zinc/11/41/96/175114196.db2.gz HGWDBLRYTHGDED-DQGBIZLVSA-N 2 2 250.430 2.743 10 0 CFAELP CC[N@@H+](C)C[C@H]([NH2+]C)C12CC3CC(CC(C3)C1)C2 ZINC000043820000 175114198 /nfs/dbraw/zinc/11/41/98/175114198.db2.gz HGWDBLRYTHGDED-DQGBIZLVSA-N 2 2 250.430 2.743 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](CC)C1CCCC1)OCCO2 ZINC000043890744 175118353 /nfs/dbraw/zinc/11/83/53/175118353.db2.gz SUDRJQGVCJNQRX-HOTGVXAUSA-N 2 2 296.455 2.525 10 0 CFAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](CC)C1CCCC1)OCCO2 ZINC000043890744 175118354 /nfs/dbraw/zinc/11/83/54/175118354.db2.gz SUDRJQGVCJNQRX-HOTGVXAUSA-N 2 2 296.455 2.525 10 0 CFAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](C)Cc1ccncc1 ZINC000043894035 175119454 /nfs/dbraw/zinc/11/94/54/175119454.db2.gz CGMNUUCBPLRNAF-IMJJTQAJSA-N 2 2 261.413 2.680 10 0 CFAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)Cc1ccncc1 ZINC000043894035 175119455 /nfs/dbraw/zinc/11/94/55/175119455.db2.gz CGMNUUCBPLRNAF-IMJJTQAJSA-N 2 2 261.413 2.680 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897996 175120523 /nfs/dbraw/zinc/12/05/23/175120523.db2.gz YIIYVNMJZLJTKL-CABCVRRESA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897996 175120526 /nfs/dbraw/zinc/12/05/26/175120526.db2.gz YIIYVNMJZLJTKL-CABCVRRESA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1[N@@H+]1CCC[C@@H]1C ZINC000043903373 175122547 /nfs/dbraw/zinc/12/25/47/175122547.db2.gz GSJGZXMWYVQUEI-DUVNUKRYSA-N 2 2 260.381 2.583 10 0 CFAELP CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1[N@H+]1CCC[C@@H]1C ZINC000043903373 175122548 /nfs/dbraw/zinc/12/25/48/175122548.db2.gz GSJGZXMWYVQUEI-DUVNUKRYSA-N 2 2 260.381 2.583 10 0 CFAELP C[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(F)cc1 ZINC000043911080 175123555 /nfs/dbraw/zinc/12/35/55/175123555.db2.gz GVRCRGGXFWWUQI-CABCVRRESA-N 2 2 250.361 2.788 10 0 CFAELP C[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(F)cc1 ZINC000043911080 175123556 /nfs/dbraw/zinc/12/35/56/175123556.db2.gz GVRCRGGXFWWUQI-CABCVRRESA-N 2 2 250.361 2.788 10 0 CFAELP C[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(F)cc1 ZINC000043911086 175123648 /nfs/dbraw/zinc/12/36/48/175123648.db2.gz GVRCRGGXFWWUQI-HUUCEWRRSA-N 2 2 250.361 2.788 10 0 CFAELP C[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(F)cc1 ZINC000043911086 175123649 /nfs/dbraw/zinc/12/36/49/175123649.db2.gz GVRCRGGXFWWUQI-HUUCEWRRSA-N 2 2 250.361 2.788 10 0 CFAELP CC[C@@H]1CO[C@@H](C)C[N@@H+]1[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043913740 175124058 /nfs/dbraw/zinc/12/40/58/175124058.db2.gz IGWTUCHHBVFKSE-XUWVNRHRSA-N 2 2 268.445 2.797 10 0 CFAELP CC[C@@H]1CO[C@@H](C)C[N@H+]1[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043913740 175124059 /nfs/dbraw/zinc/12/40/59/175124059.db2.gz IGWTUCHHBVFKSE-XUWVNRHRSA-N 2 2 268.445 2.797 10 0 CFAELP CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1[N@H+](C)CCOC ZINC000043916274 175124957 /nfs/dbraw/zinc/12/49/57/175124957.db2.gz UQDPOPUZBQNFPM-KKUMJFAQSA-N 2 2 256.434 2.512 10 0 CFAELP CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1[N@@H+](C)CCOC ZINC000043916274 175124958 /nfs/dbraw/zinc/12/49/58/175124958.db2.gz UQDPOPUZBQNFPM-KKUMJFAQSA-N 2 2 256.434 2.512 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+]1CCOCC1(C)C ZINC000043965323 175126550 /nfs/dbraw/zinc/12/65/50/175126550.db2.gz TVRIXRKWQZAGKY-ZNMIVQPWSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+]1CCOCC1(C)C ZINC000043965323 175126552 /nfs/dbraw/zinc/12/65/52/175126552.db2.gz TVRIXRKWQZAGKY-ZNMIVQPWSA-N 2 2 268.445 2.654 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043966027 175126993 /nfs/dbraw/zinc/12/69/93/175126993.db2.gz DTYKISYLNWLEIH-BHYGNILZSA-N 2 2 276.424 2.837 10 0 CFAELP CC[NH2+][C@@H](c1ccccc1)[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966027 175126995 /nfs/dbraw/zinc/12/69/95/175126995.db2.gz DTYKISYLNWLEIH-BHYGNILZSA-N 2 2 276.424 2.837 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@H+](C)C[C@@H]1CCCO1 ZINC000043966136 175127175 /nfs/dbraw/zinc/12/71/75/175127175.db2.gz WHPBDBSPDAGQLC-SOUVJXGZSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@H]([NH2+]CC)[C@@H](CC)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966136 175127177 /nfs/dbraw/zinc/12/71/77/175127177.db2.gz WHPBDBSPDAGQLC-SOUVJXGZSA-N 2 2 256.434 2.654 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043966025 175127448 /nfs/dbraw/zinc/12/74/48/175127448.db2.gz DTYKISYLNWLEIH-PVAVHDDUSA-N 2 2 276.424 2.837 10 0 CFAELP CC[NH2+][C@H](c1ccccc1)[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966025 175127449 /nfs/dbraw/zinc/12/74/49/175127449.db2.gz DTYKISYLNWLEIH-PVAVHDDUSA-N 2 2 276.424 2.837 10 0 CFAELP CCC[C@@H]([NH2+]C)[C@@H](CC)[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966459 175127762 /nfs/dbraw/zinc/12/77/62/175127762.db2.gz XNDCSRAPOKGDKM-RRFJBIMHSA-N 2 2 256.434 2.654 10 0 CFAELP CCC[C@@H]([NH2+]C)[C@@H](CC)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966459 175127764 /nfs/dbraw/zinc/12/77/64/175127764.db2.gz XNDCSRAPOKGDKM-RRFJBIMHSA-N 2 2 256.434 2.654 10 0 CFAELP CC[NH2+][C@@H](C[N@H+](CC)CCOC)c1ccc(C)cc1C ZINC000043968661 175129443 /nfs/dbraw/zinc/12/94/43/175129443.db2.gz ONFAIUZBYZYLFE-KRWDZBQOSA-N 2 2 278.440 2.922 10 0 CFAELP CC[NH2+][C@@H](C[N@@H+](CC)CCOC)c1ccc(C)cc1C ZINC000043968661 175129444 /nfs/dbraw/zinc/12/94/44/175129444.db2.gz ONFAIUZBYZYLFE-KRWDZBQOSA-N 2 2 278.440 2.922 10 0 CFAELP CC[NH2+][C@H](C[N@H+](CC)CCOC)c1ccc(C)c(C)c1 ZINC000043968694 175129755 /nfs/dbraw/zinc/12/97/55/175129755.db2.gz JIQZQNZUUQFXRI-QGZVFWFLSA-N 2 2 278.440 2.922 10 0 CFAELP CC[NH2+][C@H](C[N@@H+](CC)CCOC)c1ccc(C)c(C)c1 ZINC000043968694 175129757 /nfs/dbraw/zinc/12/97/57/175129757.db2.gz JIQZQNZUUQFXRI-QGZVFWFLSA-N 2 2 278.440 2.922 10 0 CFAELP CC[N@H+](CCOC)C[C@H]([NH2+]C)c1c(C)cc(C)cc1C ZINC000043968531 175129863 /nfs/dbraw/zinc/12/98/63/175129863.db2.gz NBKNOYQWRNGCPN-INIZCTEOSA-N 2 2 278.440 2.841 10 0 CFAELP CC[N@@H+](CCOC)C[C@H]([NH2+]C)c1c(C)cc(C)cc1C ZINC000043968531 175129864 /nfs/dbraw/zinc/12/98/64/175129864.db2.gz NBKNOYQWRNGCPN-INIZCTEOSA-N 2 2 278.440 2.841 10 0 CFAELP CC[NH2+][C@H](C[N@H+](C)[C@@H](C)COC)c1cc(C)ccc1C ZINC000043969246 175130442 /nfs/dbraw/zinc/13/04/42/175130442.db2.gz HDVUYZSKPDZOCX-DOTOQJQBSA-N 2 2 278.440 2.921 10 0 CFAELP CC[NH2+][C@H](C[N@@H+](C)[C@@H](C)COC)c1cc(C)ccc1C ZINC000043969246 175130443 /nfs/dbraw/zinc/13/04/43/175130443.db2.gz HDVUYZSKPDZOCX-DOTOQJQBSA-N 2 2 278.440 2.921 10 0 CFAELP CC[NH2+][C@H]1CCOC[C@@H]1[N@H+](C)C1CCC(CC)CC1 ZINC000043968996 175130718 /nfs/dbraw/zinc/13/07/18/175130718.db2.gz XORYXRFRLWVQFH-CKUJCDMFSA-N 2 2 268.445 2.654 10 0 CFAELP CC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](C)C1CCC(CC)CC1 ZINC000043968996 175130720 /nfs/dbraw/zinc/13/07/20/175130720.db2.gz XORYXRFRLWVQFH-CKUJCDMFSA-N 2 2 268.445 2.654 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043970098 175130926 /nfs/dbraw/zinc/13/09/26/175130926.db2.gz NRODCCQMXJXPKW-HOTGVXAUSA-N 2 2 268.445 2.798 10 0 CFAELP CCC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043970098 175130928 /nfs/dbraw/zinc/13/09/28/175130928.db2.gz NRODCCQMXJXPKW-HOTGVXAUSA-N 2 2 268.445 2.798 10 0 CFAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](CC(C)C)C(C)C)OCCO2 ZINC000043973952 175132868 /nfs/dbraw/zinc/13/28/68/175132868.db2.gz DTLCKMBYPUTGBL-CVEARBPZSA-N 2 2 298.471 2.627 10 0 CFAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](CC(C)C)C(C)C)OCCO2 ZINC000043973952 175132869 /nfs/dbraw/zinc/13/28/69/175132869.db2.gz DTLCKMBYPUTGBL-CVEARBPZSA-N 2 2 298.471 2.627 10 0 CFAELP CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)n1cc[nH+]c1 ZINC000043993036 175136026 /nfs/dbraw/zinc/13/60/26/175136026.db2.gz NBEQOJXPMMFTCN-SWLSCSKDSA-N 2 2 259.353 2.804 10 0 CFAELP C[N@@H+]1CCC[C@@H](CNc2ccc3cc(N)ccc3[nH+]2)C1 ZINC000044535585 175198712 /nfs/dbraw/zinc/19/87/12/175198712.db2.gz YLTIKDFJSZLLKF-LBPRGKRZSA-N 2 2 270.380 2.571 10 0 CFAELP C[N@H+]1CCC[C@@H](CNc2ccc3cc(N)ccc3[nH+]2)C1 ZINC000044535585 175198713 /nfs/dbraw/zinc/19/87/13/175198713.db2.gz YLTIKDFJSZLLKF-LBPRGKRZSA-N 2 2 270.380 2.571 10 0 CFAELP Cc1ccc(SCC[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000044557386 175202608 /nfs/dbraw/zinc/20/26/08/175202608.db2.gz CIGGTWXUPTXPOW-AWEZNQCLSA-N 2 2 264.438 2.900 10 0 CFAELP Cc1ccc(SCC[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000044557386 175202609 /nfs/dbraw/zinc/20/26/09/175202609.db2.gz CIGGTWXUPTXPOW-AWEZNQCLSA-N 2 2 264.438 2.900 10 0 CFAELP Cc1ccc(C)c(OCCC[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000044558406 175203090 /nfs/dbraw/zinc/20/30/90/175203090.db2.gz LAELFWDQCWEVLQ-INIZCTEOSA-N 2 2 276.424 2.886 10 0 CFAELP Cc1ccc(C)c(OCCC[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000044558406 175203092 /nfs/dbraw/zinc/20/30/92/175203092.db2.gz LAELFWDQCWEVLQ-INIZCTEOSA-N 2 2 276.424 2.886 10 0 CFAELP CCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000044690556 175233559 /nfs/dbraw/zinc/23/35/59/175233559.db2.gz BDBBLLMTEFEBIL-KGLIPLIRSA-N 2 2 273.380 2.948 10 0 CFAELP C[C@@H](Cn1c(N)[nH+]c2c1cccc2F)[NH+]1CCCCC1 ZINC000045005568 175288425 /nfs/dbraw/zinc/28/84/25/175288425.db2.gz IAVSTVRKIBYMIL-NSHDSACASA-N 2 2 276.359 2.632 10 0 CFAELP COCC[C@@](C)(C[NH3+])[N@H+](C)Cc1cccc(Cl)c1 ZINC000045043402 175294660 /nfs/dbraw/zinc/29/46/60/175294660.db2.gz QODABHGVIICKSQ-AWEZNQCLSA-N 2 2 270.804 2.526 10 0 CFAELP COCC[C@@](C)(C[NH3+])[N@@H+](C)Cc1cccc(Cl)c1 ZINC000045043402 175294662 /nfs/dbraw/zinc/29/46/62/175294662.db2.gz QODABHGVIICKSQ-AWEZNQCLSA-N 2 2 270.804 2.526 10 0 CFAELP COCC[C@@](C)(C[NH3+])[N@H+](C)Cc1ccc(Cl)s1 ZINC000045043505 175295778 /nfs/dbraw/zinc/29/57/78/175295778.db2.gz WXACLBABTGCMPQ-LBPRGKRZSA-N 2 2 276.833 2.587 10 0 CFAELP COCC[C@@](C)(C[NH3+])[N@@H+](C)Cc1ccc(Cl)s1 ZINC000045043505 175295780 /nfs/dbraw/zinc/29/57/80/175295780.db2.gz WXACLBABTGCMPQ-LBPRGKRZSA-N 2 2 276.833 2.587 10 0 CFAELP Oc1cccc2c1CC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000045105958 175307464 /nfs/dbraw/zinc/30/74/64/175307464.db2.gz CVVFLJPCOQPGEY-OAHLLOKOSA-N 2 2 271.364 2.646 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[NH+]1CCCCCCC1)[NH2+]C ZINC000045371569 175364285 /nfs/dbraw/zinc/36/42/85/175364285.db2.gz FOODXDBKQFJYCR-MRXNPFEDSA-N 2 2 284.444 2.574 10 0 CFAELP CCC[NH2+][C@@](C)(CCC[NH+]1CCCCCC1)C(=O)OCC ZINC000045377544 175367045 /nfs/dbraw/zinc/36/70/45/175367045.db2.gz IFHFQZMTDASNRK-KRWDZBQOSA-N 2 2 298.471 2.964 10 0 CFAELP CCC[NH+](CCC)CCC[C@@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045378650 175367711 /nfs/dbraw/zinc/36/77/11/175367711.db2.gz XRHISFTXHABJQI-QGZVFWFLSA-N 2 2 298.471 2.962 10 0 CFAELP COC(=O)[C@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)[NH2+]C1CC1 ZINC000045379762 175369007 /nfs/dbraw/zinc/36/90/07/175369007.db2.gz HYZDAYLQVJKMRP-ZQIUZPCESA-N 2 2 296.455 2.713 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH2+]C ZINC000045379699 175369020 /nfs/dbraw/zinc/36/90/20/175369020.db2.gz VTFFPSHFVWWSLQ-IJEWVQPXSA-N 2 2 284.444 2.571 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH2+]C ZINC000045379699 175369022 /nfs/dbraw/zinc/36/90/22/175369022.db2.gz VTFFPSHFVWWSLQ-IJEWVQPXSA-N 2 2 284.444 2.571 10 0 CFAELP CC[NH2+][C@](C)(CCCC[N@H+](CC)c1ccccc1)C(N)=O ZINC000045379895 175369316 /nfs/dbraw/zinc/36/93/16/175369316.db2.gz NRIBFIPKLXYPMC-QGZVFWFLSA-N 2 2 291.439 2.537 10 0 CFAELP CC[NH2+][C@](C)(CCCC[N@@H+](CC)c1ccccc1)C(N)=O ZINC000045379895 175369317 /nfs/dbraw/zinc/36/93/17/175369317.db2.gz NRIBFIPKLXYPMC-QGZVFWFLSA-N 2 2 291.439 2.537 10 0 CFAELP CC[NH2+][C@](C)(CCC[N@H+](CC)c1ccccc1)C(=O)OC ZINC000045379941 175369337 /nfs/dbraw/zinc/36/93/37/175369337.db2.gz DJICTWAQJMZEAQ-QGZVFWFLSA-N 2 2 292.423 2.834 10 0 CFAELP CC[NH2+][C@](C)(CCC[N@@H+](CC)c1ccccc1)C(=O)OC ZINC000045379941 175369338 /nfs/dbraw/zinc/36/93/38/175369338.db2.gz DJICTWAQJMZEAQ-QGZVFWFLSA-N 2 2 292.423 2.834 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@H+](C)C(CC)CC)[NH2+]C1CC1 ZINC000045391677 175374784 /nfs/dbraw/zinc/37/47/84/175374784.db2.gz YOICVZFFAVIWQS-QGZVFWFLSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@@](C)(CCC[N@@H+](C)C(CC)CC)[NH2+]C1CC1 ZINC000045391677 175374785 /nfs/dbraw/zinc/37/47/85/175374785.db2.gz YOICVZFFAVIWQS-QGZVFWFLSA-N 2 2 298.471 2.961 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)[NH2+]C1CC1 ZINC000045393090 175375263 /nfs/dbraw/zinc/37/52/63/175375263.db2.gz ZBLCVEGPYDFAKV-GUYCJALGSA-N 2 2 296.455 2.571 10 0 CFAELP CCOC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)[NH2+]C1CC1 ZINC000045393090 175375264 /nfs/dbraw/zinc/37/52/64/175375264.db2.gz ZBLCVEGPYDFAKV-GUYCJALGSA-N 2 2 296.455 2.571 10 0 CFAELP CC(C)Oc1cccc(C[NH2+]CCc2c[nH]c[nH+]2)c1 ZINC000045946376 175388074 /nfs/dbraw/zinc/38/80/74/175388074.db2.gz GOECEWOQIZCHGV-UHFFFAOYSA-N 2 2 259.353 2.529 10 0 CFAELP CC(C)Oc1cccc(C[NH2+]CCc2c[nH+]c[nH]2)c1 ZINC000045946376 175388075 /nfs/dbraw/zinc/38/80/75/175388075.db2.gz GOECEWOQIZCHGV-UHFFFAOYSA-N 2 2 259.353 2.529 10 0 CFAELP CSc1ccc([C@H](C)[N@H+](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000071309657 176116881 /nfs/dbraw/zinc/11/68/81/176116881.db2.gz RQTWOIVULJHXNE-WCQYABFASA-N 2 2 250.411 2.763 10 0 CFAELP CSc1ccc([C@H](C)[N@@H+](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000071309657 176116882 /nfs/dbraw/zinc/11/68/82/176116882.db2.gz RQTWOIVULJHXNE-WCQYABFASA-N 2 2 250.411 2.763 10 0 CFAELP CSc1ccc([C@@H](C)[N@H+](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000071309659 176116952 /nfs/dbraw/zinc/11/69/52/176116952.db2.gz RQTWOIVULJHXNE-DGCLKSJQSA-N 2 2 250.411 2.763 10 0 CFAELP CSc1ccc([C@@H](C)[N@@H+](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000071309659 176116953 /nfs/dbraw/zinc/11/69/53/176116953.db2.gz RQTWOIVULJHXNE-DGCLKSJQSA-N 2 2 250.411 2.763 10 0 CFAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000395180025 270311338 /nfs/dbraw/zinc/31/13/38/270311338.db2.gz DOISYZDUSSADBO-AWEZNQCLSA-N 2 2 252.789 2.832 10 0 CFAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000395180025 270311340 /nfs/dbraw/zinc/31/13/40/270311340.db2.gz DOISYZDUSSADBO-AWEZNQCLSA-N 2 2 252.789 2.832 10 0 CFAELP c1coc([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)c1 ZINC000041064076 270227068 /nfs/dbraw/zinc/22/70/68/270227068.db2.gz YEOZLDVJWYWCND-INIZCTEOSA-N 2 2 267.332 2.855 10 0 CFAELP COc1cccc2c(N3CC[N@@H+]4CCC[C@@H]4C3)cc[nH+]c12 ZINC000189372125 274150154 /nfs/dbraw/zinc/15/01/54/274150154.db2.gz PNKHHINUZSWTSK-CYBMUJFWSA-N 2 2 283.375 2.528 10 0 CFAELP COc1cccc2c(N3CC[N@H+]4CCC[C@@H]4C3)cc[nH+]c12 ZINC000189372125 274150156 /nfs/dbraw/zinc/15/01/56/274150156.db2.gz PNKHHINUZSWTSK-CYBMUJFWSA-N 2 2 283.375 2.528 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000211744169 276168042 /nfs/dbraw/zinc/16/80/42/276168042.db2.gz UWHOGPHQFMGXFM-MLGOLLRUSA-N 2 2 262.372 2.887 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000211744169 276168043 /nfs/dbraw/zinc/16/80/43/276168043.db2.gz UWHOGPHQFMGXFM-MLGOLLRUSA-N 2 2 262.372 2.887 10 0 CFAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000250366347 276168062 /nfs/dbraw/zinc/16/80/62/276168062.db2.gz UWHOGPHQFMGXFM-WBMJQRKESA-N 2 2 262.372 2.887 10 0 CFAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000250366347 276168063 /nfs/dbraw/zinc/16/80/63/276168063.db2.gz UWHOGPHQFMGXFM-WBMJQRKESA-N 2 2 262.372 2.887 10 0 CFAELP COc1cccc2c1[nH+]cc(C)c2N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000302601522 278042881 /nfs/dbraw/zinc/04/28/81/278042881.db2.gz CFPGSJDGOHNZKH-CQSZACIVSA-N 2 2 297.402 2.836 10 0 CFAELP COc1cccc2c1[nH+]cc(C)c2N1CC[N@H+]2CCC[C@@H]2C1 ZINC000302601522 278042883 /nfs/dbraw/zinc/04/28/83/278042883.db2.gz CFPGSJDGOHNZKH-CQSZACIVSA-N 2 2 297.402 2.836 10 0 CFAELP Cc1nc(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302099751 282012965 /nfs/dbraw/zinc/01/29/65/282012965.db2.gz PMPREKZPIXNBBG-BLLLJJGKSA-N 2 2 288.439 2.804 10 0 CFAELP Cc1nc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302099751 282012966 /nfs/dbraw/zinc/01/29/66/282012966.db2.gz PMPREKZPIXNBBG-BLLLJJGKSA-N 2 2 288.439 2.804 10 0 CFAELP