smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@@H](CC[NH2+]CC[NH+](C)C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000020566489 202049160 /nfs/dbraw/zinc/04/91/60/202049160.db2.gz OFXYFIUSQDZZBQ-WOJBJXKFSA-N 2 2 332.532 3.825 50 0 EHAALP COc1ccccc1OC1C[NH+](Cc2cccc([C@H](C)[NH+](C)C)c2)C1 ZINC000072478851 216258232 /nfs/dbraw/zinc/25/82/32/216258232.db2.gz SFRTXKRPANDASR-INIZCTEOSA-N 2 2 340.467 3.581 50 0 EHAALP Cc1cc(NCc2ccccc2C[NH+]2CCOCC2)[nH+]c2ccccc12 ZINC000069654878 203032823 /nfs/dbraw/zinc/03/28/23/203032823.db2.gz JWNKVSVTEQSOLD-UHFFFAOYSA-N 2 2 347.462 3.988 50 0 EHAALP Cc1cc(-c2cc(NC3CC[NH2+]CC3)nc3[nH]ccc32)[nH+]c(C)c1C ZINC000072164859 203177490 /nfs/dbraw/zinc/17/74/90/203177490.db2.gz MDNMYLNGVCMZTF-UHFFFAOYSA-N 2 2 335.455 3.714 50 0 EHAALP Cc1noc([C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C(C)C)n1 ZINC000168005502 206541539 /nfs/dbraw/zinc/54/15/39/206541539.db2.gz BDXDAQLGZZDSMX-UGSOOPFHSA-N 2 2 339.443 3.920 50 0 EHAALP C[N@@H+]1CC[C@H](C[NH2+]Cc2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447475 218391953 /nfs/dbraw/zinc/39/19/53/218391953.db2.gz GCNBJVGWDQVHRK-WBMJQRKESA-N 2 2 339.867 3.718 50 0 EHAALP C[N@H+]1CC[C@H](C[NH2+]Cc2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447475 218391956 /nfs/dbraw/zinc/39/19/56/218391956.db2.gz GCNBJVGWDQVHRK-WBMJQRKESA-N 2 2 339.867 3.718 50 0 EHAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000096132719 218618445 /nfs/dbraw/zinc/61/84/45/218618445.db2.gz SHBHSJUHFSMYLU-UHFFFAOYSA-N 2 2 349.482 3.587 50 0 EHAALP COCCn1cc[nH+]c1[C@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000091808376 563975783 /nfs/dbraw/zinc/97/57/83/563975783.db2.gz PZGHAIGOKZGWSA-KRWDZBQOSA-N 2 2 345.512 3.501 50 0 EHAALP COCCn1cc[nH+]c1[C@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000091808376 563975784 /nfs/dbraw/zinc/97/57/84/563975784.db2.gz PZGHAIGOKZGWSA-KRWDZBQOSA-N 2 2 345.512 3.501 50 0 EHAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000108485564 564028288 /nfs/dbraw/zinc/02/82/88/564028288.db2.gz GQEVWHPZQRHIRL-QRQLOZEOSA-N 2 2 349.478 3.538 50 0 EHAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000108485564 564028289 /nfs/dbraw/zinc/02/82/89/564028289.db2.gz GQEVWHPZQRHIRL-QRQLOZEOSA-N 2 2 349.478 3.538 50 0 EHAALP Brc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000030918733 564049962 /nfs/dbraw/zinc/04/99/62/564049962.db2.gz GZCHWISQZDMFMM-UHFFFAOYSA-N 2 2 348.269 3.986 50 0 EHAALP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000090667985 564085823 /nfs/dbraw/zinc/08/58/23/564085823.db2.gz KSXPNQOIEYQLMH-SJORKVTESA-N 2 2 339.483 3.966 50 0 EHAALP c1cn(CCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c2ccccc12 ZINC000095419291 564139819 /nfs/dbraw/zinc/13/98/19/564139819.db2.gz DKKITYXFKNDLBH-UHFFFAOYSA-N 2 2 348.494 3.681 50 0 EHAALP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1cc(C(C)(C)C)n[nH]1 ZINC000077357599 203383527 /nfs/dbraw/zinc/38/35/27/203383527.db2.gz BXAQUBPULRURCR-KRWDZBQOSA-N 2 2 329.492 3.657 50 0 EHAALP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1cc(C(C)(C)C)n[nH]1 ZINC000077357599 203383529 /nfs/dbraw/zinc/38/35/29/203383529.db2.gz BXAQUBPULRURCR-KRWDZBQOSA-N 2 2 329.492 3.657 50 0 EHAALP COc1ccc(F)c(F)c1C[N@@H+]1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000216214896 536599436 /nfs/dbraw/zinc/59/94/36/536599436.db2.gz FJZLMLSRFYFARS-AWEZNQCLSA-N 2 2 335.398 3.615 50 0 EHAALP COc1ccc(F)c(F)c1C[N@H+]1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000216214896 536599441 /nfs/dbraw/zinc/59/94/41/536599441.db2.gz FJZLMLSRFYFARS-AWEZNQCLSA-N 2 2 335.398 3.615 50 0 EHAALP Cc1ccc(COc2ccc(C[NH2+]CCCn3cc[nH+]c3)cc2)cc1 ZINC000010314117 563646966 /nfs/dbraw/zinc/64/69/66/563646966.db2.gz RMXHLZLKUDHIOU-UHFFFAOYSA-N 2 2 335.451 3.950 50 0 EHAALP CSc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)c(C)o2)cc1 ZINC000067935126 563963079 /nfs/dbraw/zinc/96/30/79/563963079.db2.gz NZUFBPWDRBJYSY-AWEZNQCLSA-N 2 2 331.485 3.543 50 0 EHAALP CSc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C[NH3+])C3)c(C)o2)cc1 ZINC000067935126 563963080 /nfs/dbraw/zinc/96/30/80/563963080.db2.gz NZUFBPWDRBJYSY-AWEZNQCLSA-N 2 2 331.485 3.543 50 0 EHAALP C[N@@H+]1CC[C@H](C[NH2+]C2CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245652939 563996091 /nfs/dbraw/zinc/99/60/91/563996091.db2.gz CTHBCLQYGKXSJR-CXAGYDPISA-N 2 2 342.911 3.957 50 0 EHAALP C[N@H+]1CC[C@H](C[NH2+]C2CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245652939 563996092 /nfs/dbraw/zinc/99/60/92/563996092.db2.gz CTHBCLQYGKXSJR-CXAGYDPISA-N 2 2 342.911 3.957 50 0 EHAALP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(F)c(F)c(F)c1 ZINC000089904545 564114967 /nfs/dbraw/zinc/11/49/67/564114967.db2.gz HIQKRAQTZLBOIZ-GFCCVEGCSA-N 2 2 335.373 3.819 50 0 EHAALP c1csc(-c2n[nH]cc2C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000042228389 564174765 /nfs/dbraw/zinc/17/47/65/564174765.db2.gz GLQUODKSXPUMGT-UHFFFAOYSA-N 2 2 349.463 3.673 50 0 EHAALP Cc1ccc(C[NH+]2CC(c3[nH+]cc(C)n3Cc3cccnc3)C2)s1 ZINC000575554784 1131573083 /nfs/dbraw/zinc/57/30/83/1131573083.db2.gz VBSIWAKLGIYRGD-UHFFFAOYSA-N 2 2 338.480 3.604 50 0 EHAALP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000192148993 1137025682 /nfs/dbraw/zinc/02/56/82/1137025682.db2.gz FYLQYIIUZNJPAK-HNNXBMFYSA-N 2 2 335.407 3.760 50 0 EHAALP Cc1cccc(N2CCC([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000952983969 1137485243 /nfs/dbraw/zinc/48/52/43/1137485243.db2.gz SILDPTDNRYBPIY-UHFFFAOYSA-N 2 2 346.478 3.939 50 0 EHAALP COc1c(Cl)cc(Cl)cc1C[NH2+]CCn1c[nH+]c(C)c1C ZINC000952988078 1137485558 /nfs/dbraw/zinc/48/55/58/1137485558.db2.gz AQRSVPLNEGXSSO-UHFFFAOYSA-N 2 2 328.243 3.605 50 0 EHAALP Cc1ccc([C@H](CC[NH2+]CC[NH+](C)C)[C@H]2CCOC(C)(C)C2)cc1 ZINC000020566494 202048739 /nfs/dbraw/zinc/04/87/39/202048739.db2.gz OFXYFIUSQDZZBQ-PMACEKPBSA-N 2 2 332.532 3.825 50 0 EHAALP C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000215840179 241151253 /nfs/dbraw/zinc/15/12/53/241151253.db2.gz WCQXLJHLHMEEPA-QGZVFWFLSA-N 2 2 336.439 3.550 50 0 EHAALP C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000215840179 241151256 /nfs/dbraw/zinc/15/12/56/241151256.db2.gz WCQXLJHLHMEEPA-QGZVFWFLSA-N 2 2 336.439 3.550 50 0 EHAALP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)s1 ZINC000092645196 257972646 /nfs/dbraw/zinc/97/26/46/257972646.db2.gz CAKPNGUKGBGTDU-UHFFFAOYSA-N 2 2 329.513 3.590 50 0 EHAALP Cc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)s1 ZINC000092645196 257972647 /nfs/dbraw/zinc/97/26/47/257972647.db2.gz CAKPNGUKGBGTDU-UHFFFAOYSA-N 2 2 329.513 3.590 50 0 EHAALP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2cccnc2)CC1 ZINC000054866755 132192761 /nfs/dbraw/zinc/19/27/61/132192761.db2.gz RZDNZWCEAVHWFO-UHFFFAOYSA-N 2 2 338.842 3.605 50 0 EHAALP C[N@H+](Cc1ccccc1NC(=O)CCn1cc[nH+]c1)C1CCCCC1 ZINC000058264508 563941040 /nfs/dbraw/zinc/94/10/40/563941040.db2.gz QXIWARDDTWTVJN-UHFFFAOYSA-N 2 2 340.471 3.676 50 0 EHAALP C[N@@H+](Cc1ccccc1NC(=O)CCn1cc[nH+]c1)C1CCCCC1 ZINC000058264508 563941042 /nfs/dbraw/zinc/94/10/42/563941042.db2.gz QXIWARDDTWTVJN-UHFFFAOYSA-N 2 2 340.471 3.676 50 0 EHAALP Cc1cc(-n2cccn2)ccc1-c1[nH+]ccn1CC[C@H]1CCC[N@H+]1C ZINC000067851359 563962940 /nfs/dbraw/zinc/96/29/40/563962940.db2.gz RSPRWIQTDTWVQK-QGZVFWFLSA-N 2 2 335.455 3.529 50 0 EHAALP Cc1cc(-n2cccn2)ccc1-c1[nH+]ccn1CC[C@H]1CCC[N@@H+]1C ZINC000067851359 563962941 /nfs/dbraw/zinc/96/29/41/563962941.db2.gz RSPRWIQTDTWVQK-QGZVFWFLSA-N 2 2 335.455 3.529 50 0 EHAALP Cc1ccncc1C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000241277734 564051940 /nfs/dbraw/zinc/05/19/40/564051940.db2.gz LISUTRPWCXXSGN-BEFAXECRSA-N 2 2 347.865 3.965 50 0 EHAALP Cc1ccncc1C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000241277734 564051941 /nfs/dbraw/zinc/05/19/41/564051941.db2.gz LISUTRPWCXXSGN-BEFAXECRSA-N 2 2 347.865 3.965 50 0 EHAALP CCc1cnc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)s1 ZINC000561985696 564073001 /nfs/dbraw/zinc/07/30/01/564073001.db2.gz IICMWBCGUBZFLP-IEBWSBKVSA-N 2 2 338.480 3.920 50 0 EHAALP CCc1cnc(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)s1 ZINC000561985698 564073021 /nfs/dbraw/zinc/07/30/21/564073021.db2.gz IICMWBCGUBZFLP-MJGOQNOKSA-N 2 2 338.480 3.920 50 0 EHAALP Cc1cncc(C[N@@H+](C)[C@H]2CCC[NH+](Cc3cncc(C)c3)CC2)c1 ZINC000225500900 564135581 /nfs/dbraw/zinc/13/55/81/564135581.db2.gz UQLWSEBSRRFIJI-NRFANRHFSA-N 2 2 338.499 3.580 50 0 EHAALP Cc1cncc(C[N@H+](C)[C@H]2CCC[NH+](Cc3cncc(C)c3)CC2)c1 ZINC000225500900 564135582 /nfs/dbraw/zinc/13/55/82/564135582.db2.gz UQLWSEBSRRFIJI-NRFANRHFSA-N 2 2 338.499 3.580 50 0 EHAALP Cc1cncc(C[NH+](C)[C@H]2CCC[N@H+](Cc3cncc(C)c3)CC2)c1 ZINC000225500900 564135583 /nfs/dbraw/zinc/13/55/83/564135583.db2.gz UQLWSEBSRRFIJI-NRFANRHFSA-N 2 2 338.499 3.580 50 0 EHAALP Cc1cncc(C[NH+](C)[C@H]2CCC[N@@H+](Cc3cncc(C)c3)CC2)c1 ZINC000225500900 564135584 /nfs/dbraw/zinc/13/55/84/564135584.db2.gz UQLWSEBSRRFIJI-NRFANRHFSA-N 2 2 338.499 3.580 50 0 EHAALP c1c(CC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)[nH+]c2n1CCCC2 ZINC000095420216 564139938 /nfs/dbraw/zinc/13/99/38/564139938.db2.gz QDFMBRHLUUJGAC-GOSISDBHSA-N 2 2 337.467 3.798 50 0 EHAALP C[C@H](CCc1cccn1C)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000095968614 564143191 /nfs/dbraw/zinc/14/31/91/564143191.db2.gz MQPAAUFQRLSRCG-WSTZPKSXSA-N 2 2 325.500 3.771 50 0 EHAALP C[C@H](CCc1cccn1C)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000095968614 564143192 /nfs/dbraw/zinc/14/31/92/564143192.db2.gz MQPAAUFQRLSRCG-WSTZPKSXSA-N 2 2 325.500 3.771 50 0 EHAALP COc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1OC ZINC000025356149 202129493 /nfs/dbraw/zinc/12/94/93/202129493.db2.gz BNQSEAKUQSAOGK-HNNXBMFYSA-N 2 2 337.423 3.740 50 0 EHAALP COc1cccc2ccc(C[N@H+](C)Cc3ccc4c(c3)C[NH+](C)C4)nc21 ZINC000216458355 241194936 /nfs/dbraw/zinc/19/49/36/241194936.db2.gz QFOCSQZFXRXNHT-UHFFFAOYSA-N 2 2 347.462 3.821 50 0 EHAALP COc1cccc2ccc(C[N@@H+](C)Cc3ccc4c(c3)C[NH+](C)C4)nc21 ZINC000216458355 241194940 /nfs/dbraw/zinc/19/49/40/241194940.db2.gz QFOCSQZFXRXNHT-UHFFFAOYSA-N 2 2 347.462 3.821 50 0 EHAALP COc1cccc2ccc(C[NH+](C)Cc3ccc4c(c3)C[N@@H+](C)C4)nc21 ZINC000216458355 241194945 /nfs/dbraw/zinc/19/49/45/241194945.db2.gz QFOCSQZFXRXNHT-UHFFFAOYSA-N 2 2 347.462 3.821 50 0 EHAALP COc1cccc2ccc(C[NH+](C)Cc3ccc4c(c3)C[N@H+](C)C4)nc21 ZINC000216458355 241194950 /nfs/dbraw/zinc/19/49/50/241194950.db2.gz QFOCSQZFXRXNHT-UHFFFAOYSA-N 2 2 347.462 3.821 50 0 EHAALP COc1ccc(C[NH+]2CCC([NH+]3CCCCCC3)CC2)c(OC)c1 ZINC000000316712 201459577 /nfs/dbraw/zinc/45/95/77/201459577.db2.gz AZJUPOOOQKUGQB-UHFFFAOYSA-N 2 2 332.488 3.544 50 0 EHAALP CCc1nc(C)sc1C[N@H+](Cc1ccncc1)C1CC[NH+](C)CC1 ZINC000072153378 203174079 /nfs/dbraw/zinc/17/40/79/203174079.db2.gz XIOFPDZGYGAPIJ-UHFFFAOYSA-N 2 2 344.528 3.505 50 0 EHAALP CCc1nc(C)sc1C[N@@H+](Cc1ccncc1)C1CC[NH+](C)CC1 ZINC000072153378 203174082 /nfs/dbraw/zinc/17/40/82/203174082.db2.gz XIOFPDZGYGAPIJ-UHFFFAOYSA-N 2 2 344.528 3.505 50 0 EHAALP c1cnn(CC[C@@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000077420141 203387333 /nfs/dbraw/zinc/38/73/33/203387333.db2.gz JTGGINWIMFCGGS-IBGZPJMESA-N 2 2 335.455 3.514 50 0 EHAALP c1cnn(CC[C@@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000077420141 203387336 /nfs/dbraw/zinc/38/73/36/203387336.db2.gz JTGGINWIMFCGGS-IBGZPJMESA-N 2 2 335.455 3.514 50 0 EHAALP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc3cc(Cl)ccc3n1)C2 ZINC000102146448 204033966 /nfs/dbraw/zinc/03/39/66/204033966.db2.gz FOUDYUXCARCJIW-QWHZDKJVSA-N 2 2 329.875 3.660 50 0 EHAALP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc3cc(Cl)ccc3n1)C2 ZINC000102146448 204033969 /nfs/dbraw/zinc/03/39/69/204033969.db2.gz FOUDYUXCARCJIW-QWHZDKJVSA-N 2 2 329.875 3.660 50 0 EHAALP c1ccc(-c2cc(NCC[NH+]3CCOCC3)c3ccccc3[nH+]2)cc1 ZINC000000408692 563307714 /nfs/dbraw/zinc/30/77/14/563307714.db2.gz GSUHOMSETADTQR-UHFFFAOYSA-N 2 2 333.435 3.646 50 0 EHAALP Cc1oc(-c2ccco2)nc1C[NH+](C)C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000067954383 563963149 /nfs/dbraw/zinc/96/31/49/563963149.db2.gz IPDBDDRENLDHFN-INIZCTEOSA-N 2 2 331.460 3.795 50 0 EHAALP Cc1oc(-c2ccco2)nc1C[NH+](C)C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000067954383 563963150 /nfs/dbraw/zinc/96/31/50/563963150.db2.gz IPDBDDRENLDHFN-INIZCTEOSA-N 2 2 331.460 3.795 50 0 EHAALP Cc1oc(-c2ccco2)nc1C[N@@H+](C)C[C@@H]1CCC[NH+](C(C)C)C1 ZINC000067954383 563963151 /nfs/dbraw/zinc/96/31/51/563963151.db2.gz IPDBDDRENLDHFN-INIZCTEOSA-N 2 2 331.460 3.795 50 0 EHAALP Cc1oc(-c2ccco2)nc1C[N@H+](C)C[C@@H]1CCC[NH+](C(C)C)C1 ZINC000067954383 563963152 /nfs/dbraw/zinc/96/31/52/563963152.db2.gz IPDBDDRENLDHFN-INIZCTEOSA-N 2 2 331.460 3.795 50 0 EHAALP Cn1cc[nH+]c1C1CC[NH+](CCCCOCc2ccccc2)CC1 ZINC000091645427 563975607 /nfs/dbraw/zinc/97/56/07/563975607.db2.gz WHIVHGDLJXFRNZ-UHFFFAOYSA-N 2 2 327.472 3.597 50 0 EHAALP Cc1noc([C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C(C)C)n1 ZINC000168005592 564056613 /nfs/dbraw/zinc/05/66/13/564056613.db2.gz BDXDAQLGZZDSMX-FZKQIMNGSA-N 2 2 339.443 3.920 50 0 EHAALP Cc1cccc2nc(C[NH2+][C@H](C)c3cccc(-n4cc[nH+]c4)c3)cn21 ZINC000195577341 564123927 /nfs/dbraw/zinc/12/39/27/564123927.db2.gz PZYXQOJEBXTBGW-MRXNPFEDSA-N 2 2 331.423 3.679 50 0 EHAALP FC(F)n1cc[nH+]c1CC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000095415447 564139733 /nfs/dbraw/zinc/13/97/33/564139733.db2.gz WCWXSRZNCMLJHU-UHFFFAOYSA-N 2 2 336.773 3.812 50 0 EHAALP c1csc(-c2cc(NCC[NH+]3CCOCC3)c3ccccc3[nH+]2)c1 ZINC000004541751 210216847 /nfs/dbraw/zinc/21/68/47/210216847.db2.gz TYDCGMVYWOVWIU-UHFFFAOYSA-N 2 2 339.464 3.707 50 0 EHAALP Cc1oc(-c2ccco2)nc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200746 201382522 /nfs/dbraw/zinc/38/25/22/201382522.db2.gz SPITUWXIYADPOV-HNNXBMFYSA-N 2 2 338.411 3.572 50 0 EHAALP Cc1oc(-c2ccco2)nc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200746 201382526 /nfs/dbraw/zinc/38/25/26/201382526.db2.gz SPITUWXIYADPOV-HNNXBMFYSA-N 2 2 338.411 3.572 50 0 EHAALP Cn1c(C[N@H+](Cc2cccnc2)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000072133556 203166050 /nfs/dbraw/zinc/16/60/50/203166050.db2.gz VBJLPJORHBGBGT-UHFFFAOYSA-N 2 2 348.494 3.670 50 0 EHAALP Cn1c(C[N@@H+](Cc2cccnc2)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000072133556 203166054 /nfs/dbraw/zinc/16/60/54/203166054.db2.gz VBJLPJORHBGBGT-UHFFFAOYSA-N 2 2 348.494 3.670 50 0 EHAALP Cn1ccc2cc(C[N@H+](Cc3cccnc3)C3CC[NH+](C)CC3)ccc21 ZINC000072150144 203173373 /nfs/dbraw/zinc/17/33/73/203173373.db2.gz JXHQZXNVUZSZBH-UHFFFAOYSA-N 2 2 348.494 3.670 50 0 EHAALP Cn1ccc2cc(C[N@@H+](Cc3cccnc3)C3CC[NH+](C)CC3)ccc21 ZINC000072150144 203173377 /nfs/dbraw/zinc/17/33/77/203173377.db2.gz JXHQZXNVUZSZBH-UHFFFAOYSA-N 2 2 348.494 3.670 50 0 EHAALP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3)o2)[nH+]1 ZINC000075142026 203307438 /nfs/dbraw/zinc/30/74/38/203307438.db2.gz QVXGDWSTHMOPAG-QGZVFWFLSA-N 2 2 349.438 3.517 50 0 EHAALP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3)o2)[nH+]1 ZINC000075142026 203307442 /nfs/dbraw/zinc/30/74/42/203307442.db2.gz QVXGDWSTHMOPAG-QGZVFWFLSA-N 2 2 349.438 3.517 50 0 EHAALP C[N@H+](Cc1cccc2[nH]ccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645376 258013780 /nfs/dbraw/zinc/01/37/80/258013780.db2.gz SFYCHDGDIIGMSP-UHFFFAOYSA-N 2 2 348.494 3.702 50 0 EHAALP C[N@@H+](Cc1cccc2[nH]ccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645376 258013782 /nfs/dbraw/zinc/01/37/82/258013782.db2.gz SFYCHDGDIIGMSP-UHFFFAOYSA-N 2 2 348.494 3.702 50 0 EHAALP CC[NH+](CC)Cc1nc(C2([NH2+]Cc3ccccc3C)CCCC2)no1 ZINC000072289910 563908901 /nfs/dbraw/zinc/90/89/01/563908901.db2.gz VYZXOBKSGDYNRQ-UHFFFAOYSA-N 2 2 342.487 3.779 50 0 EHAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(-c2ccccc2C)s1 ZINC000065370475 563958376 /nfs/dbraw/zinc/95/83/76/563958376.db2.gz OZOXGBNYTJJKPL-OAHLLOKOSA-N 2 2 326.469 3.883 50 0 EHAALP Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[NH+]1CCC([NH3+])CC1 ZINC000067772870 563962698 /nfs/dbraw/zinc/96/26/98/563962698.db2.gz YNUZBTPHMZEXAM-UHFFFAOYSA-N 2 2 339.361 3.592 50 0 EHAALP Cc1ccc2[nH]cc(C[NH+]3CCC([N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000067821195 563962816 /nfs/dbraw/zinc/96/28/16/563962816.db2.gz NBQCKYVBFSGURM-CALCHBBNSA-N 2 2 341.499 3.550 50 0 EHAALP Cc1n[nH]c(C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1Cl ZINC000097173287 563981371 /nfs/dbraw/zinc/98/13/71/563981371.db2.gz KDVUFJYHVFCJKY-CYBMUJFWSA-N 2 2 343.862 3.703 50 0 EHAALP Cc1n[nH]c(C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1Cl ZINC000097173287 563981372 /nfs/dbraw/zinc/98/13/72/563981372.db2.gz KDVUFJYHVFCJKY-CYBMUJFWSA-N 2 2 343.862 3.703 50 0 EHAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000108485559 564028300 /nfs/dbraw/zinc/02/83/00/564028300.db2.gz GQEVWHPZQRHIRL-BHIYHBOVSA-N 2 2 349.478 3.538 50 0 EHAALP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000108485559 564028301 /nfs/dbraw/zinc/02/83/01/564028301.db2.gz GQEVWHPZQRHIRL-BHIYHBOVSA-N 2 2 349.478 3.538 50 0 EHAALP Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000049734430 564032884 /nfs/dbraw/zinc/03/28/84/564032884.db2.gz LPZNLECSAOVVHM-UHFFFAOYSA-N 2 2 348.450 3.579 50 0 EHAALP COc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000195556460 564123776 /nfs/dbraw/zinc/12/37/76/564123776.db2.gz QONYXESWMBNRHF-INIZCTEOSA-N 2 2 342.405 3.689 50 0 EHAALP OC1(c2ccc(-c3ccccc3)cc2)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000278948496 564139133 /nfs/dbraw/zinc/13/91/33/564139133.db2.gz YNJNWTASRAWXTJ-UHFFFAOYSA-N 2 2 347.462 3.534 50 0 EHAALP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)Cc1cccs1 ZINC000095968544 564143197 /nfs/dbraw/zinc/14/31/97/564143197.db2.gz DOGVSJXVDJSHNH-MRXNPFEDSA-N 2 2 329.513 3.576 50 0 EHAALP Cc1ccc([C@H](O)C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)cc1 ZINC000095987825 564143981 /nfs/dbraw/zinc/14/39/81/564143981.db2.gz QDNOXYSTUUWINT-YUXAGFNASA-N 2 2 338.495 3.529 50 0 EHAALP Cc1ccc([C@H](O)C[NH2+][C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)cc1 ZINC000095987825 564143982 /nfs/dbraw/zinc/14/39/82/564143982.db2.gz QDNOXYSTUUWINT-YUXAGFNASA-N 2 2 338.495 3.529 50 0 EHAALP COc1cccc2cc([C@@H](C)[NH2+][C@H]3CCc4[nH+]c(C)cn4C3)oc21 ZINC000095987867 564144059 /nfs/dbraw/zinc/14/40/59/564144059.db2.gz XQOOCYCCSFKVOK-HIFRSBDPSA-N 2 2 325.412 3.612 50 0 EHAALP CC[NH+](CC)CCC[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000002647857 564151848 /nfs/dbraw/zinc/15/18/48/564151848.db2.gz UYNAAZRKCUBGRH-UHFFFAOYSA-N 2 2 339.483 3.614 50 0 EHAALP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000019363257 202006438 /nfs/dbraw/zinc/00/64/38/202006438.db2.gz UOMBRGFRARDBQJ-FCHUYYIVSA-N 2 2 336.479 3.663 50 0 EHAALP Cc1nc2ccccn2c1C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000075572574 202381334 /nfs/dbraw/zinc/38/13/34/202381334.db2.gz YLTXSBLGASTBIA-FQEVSTJZSA-N 2 2 334.467 3.569 50 0 EHAALP Fc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc(F)c1F ZINC000076396400 202388055 /nfs/dbraw/zinc/38/80/55/202388055.db2.gz GOGGUKWPFOOQJZ-UHFFFAOYSA-N 2 2 331.341 3.639 50 0 EHAALP FC1(F)CC[NH+](Cc2ccc(OCCCn3cc[nH+]c3)cc2)CC1 ZINC000216319726 241182315 /nfs/dbraw/zinc/18/23/15/241182315.db2.gz JLPBZSBPOMZUSG-UHFFFAOYSA-N 2 2 335.398 3.583 50 0 EHAALP Cc1cc(F)ccc1C[N@@H+](Cc1cccnc1)C1CC[NH+](C)CC1 ZINC000072143483 203169308 /nfs/dbraw/zinc/16/93/08/203169308.db2.gz SSKKCMIVKUKFMN-UHFFFAOYSA-N 2 2 327.447 3.626 50 0 EHAALP Cc1cc(F)ccc1C[N@H+](Cc1cccnc1)C1CC[NH+](C)CC1 ZINC000072143483 203169312 /nfs/dbraw/zinc/16/93/12/203169312.db2.gz SSKKCMIVKUKFMN-UHFFFAOYSA-N 2 2 327.447 3.626 50 0 EHAALP Cc1c[nH+]ccc1NCCn1cc[nH+]c1-c1ccnc2ccccc21 ZINC000072165060 203177775 /nfs/dbraw/zinc/17/77/75/203177775.db2.gz IVHCWAHKAZNXCE-UHFFFAOYSA-N 2 2 329.407 3.914 50 0 EHAALP CC(C)c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000077375487 203383615 /nfs/dbraw/zinc/38/36/15/203383615.db2.gz RMRQYKYFOPIFPE-KRWDZBQOSA-N 2 2 337.427 3.716 50 0 EHAALP CC(C)c1noc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000077375487 203383618 /nfs/dbraw/zinc/38/36/18/203383618.db2.gz RMRQYKYFOPIFPE-KRWDZBQOSA-N 2 2 337.427 3.716 50 0 EHAALP Cc1[nH+]ccn1-c1ccccc1C[NH2+]Cc1nc2c(ccc(C)c2C)[nH]1 ZINC000067947606 563963067 /nfs/dbraw/zinc/96/30/67/563963067.db2.gz XQHKOFXHISRSPM-UHFFFAOYSA-N 2 2 345.450 3.964 50 0 EHAALP Cc1[nH+]ccn1-c1ccccc1C[NH2+]Cc1nc2ccc(C)c(C)c2[nH]1 ZINC000067947606 563963068 /nfs/dbraw/zinc/96/30/68/563963068.db2.gz XQHKOFXHISRSPM-UHFFFAOYSA-N 2 2 345.450 3.964 50 0 EHAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000097139271 563968165 /nfs/dbraw/zinc/96/81/65/563968165.db2.gz HLJCKTSDNMSANX-AWEZNQCLSA-N 2 2 330.501 3.599 50 0 EHAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000097139271 563968166 /nfs/dbraw/zinc/96/81/66/563968166.db2.gz HLJCKTSDNMSANX-AWEZNQCLSA-N 2 2 330.501 3.599 50 0 EHAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000108485555 564028291 /nfs/dbraw/zinc/02/82/91/564028291.db2.gz GQEVWHPZQRHIRL-NZSAHSFTSA-N 2 2 349.478 3.538 50 0 EHAALP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000108485555 564028292 /nfs/dbraw/zinc/02/82/92/564028292.db2.gz GQEVWHPZQRHIRL-NZSAHSFTSA-N 2 2 349.478 3.538 50 0 EHAALP C[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000170616901 564110050 /nfs/dbraw/zinc/11/00/50/564110050.db2.gz GVTNLEHKSHDTKK-KEYYUXOJSA-N 2 2 326.444 3.572 50 0 EHAALP COc1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccc1SC ZINC000063916286 564133904 /nfs/dbraw/zinc/13/39/04/564133904.db2.gz ZYBGGAXFACELLU-UHFFFAOYSA-N 2 2 339.464 3.893 50 0 EHAALP Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000078612734 202398480 /nfs/dbraw/zinc/39/84/80/202398480.db2.gz NHPOWUDUCJQNCQ-UHFFFAOYSA-N 2 2 347.397 3.691 50 0 EHAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)C1 ZINC000229419902 201041290 /nfs/dbraw/zinc/04/12/90/201041290.db2.gz APIBAPAPFRNTGG-WIYYLYMNSA-N 2 2 346.478 3.797 50 0 EHAALP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)C1 ZINC000229419902 201041294 /nfs/dbraw/zinc/04/12/94/201041294.db2.gz APIBAPAPFRNTGG-WIYYLYMNSA-N 2 2 346.478 3.797 50 0 EHAALP Cc1nn(C(C)C)c(C)c1[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000095419955 370698599 /nfs/dbraw/zinc/69/85/99/370698599.db2.gz DVRCQEAKCKEWIE-AWEZNQCLSA-N 2 2 325.460 3.622 50 0 EHAALP C[N@@H+]1CC[C@@H](C[NH2+]C2CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245652943 563996094 /nfs/dbraw/zinc/99/60/94/563996094.db2.gz CTHBCLQYGKXSJR-SUMWQHHRSA-N 2 2 342.911 3.957 50 0 EHAALP C[N@H+]1CC[C@@H](C[NH2+]C2CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245652943 563996095 /nfs/dbraw/zinc/99/60/95/563996095.db2.gz CTHBCLQYGKXSJR-SUMWQHHRSA-N 2 2 342.911 3.957 50 0 EHAALP C[N@@H+](Cc1cc(C2CC2)n[nH]1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000244811461 564052348 /nfs/dbraw/zinc/05/23/48/564052348.db2.gz SDEJPNYIXBOPHT-GOSISDBHSA-N 2 2 338.499 3.631 50 0 EHAALP C[N@H+](Cc1cc(C2CC2)n[nH]1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000244811461 564052349 /nfs/dbraw/zinc/05/23/49/564052349.db2.gz SDEJPNYIXBOPHT-GOSISDBHSA-N 2 2 338.499 3.631 50 0 EHAALP C[NH+](Cc1cc(C2CC2)n[nH]1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000244811461 564052350 /nfs/dbraw/zinc/05/23/50/564052350.db2.gz SDEJPNYIXBOPHT-GOSISDBHSA-N 2 2 338.499 3.631 50 0 EHAALP C[NH+](Cc1cc(C2CC2)n[nH]1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000244811461 564052351 /nfs/dbraw/zinc/05/23/51/564052351.db2.gz SDEJPNYIXBOPHT-GOSISDBHSA-N 2 2 338.499 3.631 50 0 EHAALP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000121360305 564078844 /nfs/dbraw/zinc/07/88/44/564078844.db2.gz FWQLGLGEIMBASE-CQSZACIVSA-N 2 2 329.419 3.549 50 0 EHAALP Fc1ccc(C(F)(F)F)cc1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000089768305 564113603 /nfs/dbraw/zinc/11/36/03/564113603.db2.gz IZQCLHKYXGWHJL-NSHDSACASA-N 2 2 327.325 3.708 50 0 EHAALP Fc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000095405694 564139571 /nfs/dbraw/zinc/13/95/71/564139571.db2.gz MAWOPGYTFFWMKE-GFCCVEGCSA-N 2 2 338.224 3.691 50 0 EHAALP Fc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000095405694 564139572 /nfs/dbraw/zinc/13/95/72/564139572.db2.gz MAWOPGYTFFWMKE-GFCCVEGCSA-N 2 2 338.224 3.691 50 0 EHAALP FC(F)n1cc[nH+]c1CC[NH2+]Cc1csc(-c2cccs2)n1 ZINC000071799215 564175470 /nfs/dbraw/zinc/17/54/70/564175470.db2.gz ROLHVKYGGFSBSK-UHFFFAOYSA-N 2 2 340.424 3.796 50 0 EHAALP CC(C)[N@@H+]1CCC[C@H](Cn2ccnc2-c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000071761541 203109569 /nfs/dbraw/zinc/10/95/69/203109569.db2.gz IWCXJCPERKYZGY-SFHVURJKSA-N 2 2 349.482 3.856 50 0 EHAALP CC(C)[N@H+]1CCC[C@H](Cn2ccnc2-c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000071761541 203109573 /nfs/dbraw/zinc/10/95/73/203109573.db2.gz IWCXJCPERKYZGY-SFHVURJKSA-N 2 2 349.482 3.856 50 0 EHAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000077378089 203384490 /nfs/dbraw/zinc/38/44/90/203384490.db2.gz KFLNSVUSVVVLRZ-IBGZPJMESA-N 2 2 349.482 3.593 50 0 EHAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000077378089 203384493 /nfs/dbraw/zinc/38/44/93/203384493.db2.gz KFLNSVUSVVVLRZ-IBGZPJMESA-N 2 2 349.482 3.593 50 0 EHAALP CCn1c[nH+]cc1-c1c(-c2ccccc2)ncn1C[C@@]1(C)CC[N@H+](C)C1 ZINC000065488203 563961430 /nfs/dbraw/zinc/96/14/30/563961430.db2.gz HQDYDXGTFBRHRE-NRFANRHFSA-N 2 2 349.482 3.775 50 0 EHAALP CCn1c[nH+]cc1-c1c(-c2ccccc2)ncn1C[C@@]1(C)CC[N@@H+](C)C1 ZINC000065488203 563961431 /nfs/dbraw/zinc/96/14/31/563961431.db2.gz HQDYDXGTFBRHRE-NRFANRHFSA-N 2 2 349.482 3.775 50 0 EHAALP Cc1cccc2c(CC[NH2+]C3CC[NH+](Cc4ccccn4)CC3)c[nH]c21 ZINC000067856272 563962931 /nfs/dbraw/zinc/96/29/31/563962931.db2.gz FNGYNHXHYKQDLA-UHFFFAOYSA-N 2 2 348.494 3.668 50 0 EHAALP COc1ccc(/C=C/C[N@@H+]2CCCC[C@@H]2CCc2[nH+]ccn2C)cc1 ZINC000077554920 563970345 /nfs/dbraw/zinc/97/03/45/563970345.db2.gz CITLRPNRMJCOIU-ZMBJWTFHSA-N 2 2 339.483 3.929 50 0 EHAALP COc1ccc(/C=C/C[N@H+]2CCCC[C@@H]2CCc2[nH+]ccn2C)cc1 ZINC000077554920 563970346 /nfs/dbraw/zinc/97/03/46/563970346.db2.gz CITLRPNRMJCOIU-ZMBJWTFHSA-N 2 2 339.483 3.929 50 0 EHAALP C[N@H+](Cc1ccc(C[NH+]2CCCC2)s1)Cc1cnc2ccccn12 ZINC000097729597 563981849 /nfs/dbraw/zinc/98/18/49/563981849.db2.gz WNMBBWXYJXXAER-UHFFFAOYSA-N 2 2 340.496 3.624 50 0 EHAALP C[N@@H+](Cc1ccc(C[NH+]2CCCC2)s1)Cc1cnc2ccccn12 ZINC000097729597 563981850 /nfs/dbraw/zinc/98/18/50/563981850.db2.gz WNMBBWXYJXXAER-UHFFFAOYSA-N 2 2 340.496 3.624 50 0 EHAALP Cc1nnc([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)s1 ZINC000338271972 563986682 /nfs/dbraw/zinc/98/66/82/563986682.db2.gz CAFNUFOHQLFTCI-HUUCEWRRSA-N 2 2 336.549 3.884 50 0 EHAALP Cc1nnc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC000338271972 563986683 /nfs/dbraw/zinc/98/66/83/563986683.db2.gz CAFNUFOHQLFTCI-HUUCEWRRSA-N 2 2 336.549 3.884 50 0 EHAALP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000090667441 564085833 /nfs/dbraw/zinc/08/58/33/564085833.db2.gz RAXBHTJREDDUTB-MAUKXSAKSA-N 2 2 331.504 3.543 50 0 EHAALP C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccco1 ZINC000095422920 564140165 /nfs/dbraw/zinc/14/01/65/564140165.db2.gz FLBLNEYTWAWAHN-IRXDYDNUSA-N 2 2 328.456 3.830 50 0 EHAALP Fc1cc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc(F)c1F ZINC000076396650 202388394 /nfs/dbraw/zinc/38/83/94/202388394.db2.gz NBIOSVRFODAFOX-UHFFFAOYSA-N 2 2 331.341 3.639 50 0 EHAALP c1[nH+]cn(C2CCCCC2)c1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000244884246 243097194 /nfs/dbraw/zinc/09/71/94/243097194.db2.gz YIIFFOUVMFQDGX-UHFFFAOYSA-N 2 2 330.520 3.839 50 0 EHAALP c1[nH+]cn(C2CCCCC2)c1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000244884246 243097199 /nfs/dbraw/zinc/09/71/99/243097199.db2.gz YIIFFOUVMFQDGX-UHFFFAOYSA-N 2 2 330.520 3.839 50 0 EHAALP Cc1cc(N2CCC[C@H](Cn3cc[nH+]c3)C2)nc(-c2ccccc2)[nH+]1 ZINC000077356707 203383289 /nfs/dbraw/zinc/38/32/89/203383289.db2.gz LDAZCXIBNAZZKN-QGZVFWFLSA-N 2 2 333.439 3.565 50 0 EHAALP C[C@@H](c1[nH+]ccn1CCCOC1CC[NH+](C)CC1)c1ccccc1 ZINC000077454907 203389684 /nfs/dbraw/zinc/38/96/84/203389684.db2.gz GXWDQZVJFZJBHX-QGZVFWFLSA-N 2 2 327.472 3.536 50 0 EHAALP C[C@H]([NH2+]C1(C[NH2+]C(C2CC2)C2CC2)CCOCC1)c1ccccc1 ZINC000095422918 218365185 /nfs/dbraw/zinc/36/51/85/218365185.db2.gz UOJRYGFLSUNBGV-INIZCTEOSA-N 2 2 328.500 3.665 50 0 EHAALP C[N@@H+]1CCC[C@H]1CCn1cc[nH+]c1-c1ccc(Oc2ncccn2)cc1 ZINC000067739522 563962608 /nfs/dbraw/zinc/96/26/08/563962608.db2.gz ZHATWUXFTAQEAI-KRWDZBQOSA-N 2 2 349.438 3.617 50 0 EHAALP C[N@H+]1CCC[C@H]1CCn1cc[nH+]c1-c1ccc(Oc2ncccn2)cc1 ZINC000067739522 563962609 /nfs/dbraw/zinc/96/26/09/563962609.db2.gz ZHATWUXFTAQEAI-KRWDZBQOSA-N 2 2 349.438 3.617 50 0 EHAALP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000097017790 563966780 /nfs/dbraw/zinc/96/67/80/563966780.db2.gz JCHHEZNDTZITKY-KRWDZBQOSA-N 2 2 340.471 3.625 50 0 EHAALP Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000097017790 563966781 /nfs/dbraw/zinc/96/67/81/563966781.db2.gz JCHHEZNDTZITKY-KRWDZBQOSA-N 2 2 340.471 3.625 50 0 EHAALP CCCCc1[nH]c(CN2C[C@H]3CC[C@H](C[N@H+]3CC=C(C)C)C2)c[nH+]1 ZINC000091381557 563975356 /nfs/dbraw/zinc/97/53/56/563975356.db2.gz JPIYOMNVOZKDJS-PKOBYXMFSA-N 2 2 330.520 3.615 50 0 EHAALP CCCCc1[nH]c(CN2C[C@H]3CC[C@H](C[N@@H+]3CC=C(C)C)C2)c[nH+]1 ZINC000091381557 563975357 /nfs/dbraw/zinc/97/53/57/563975357.db2.gz JPIYOMNVOZKDJS-PKOBYXMFSA-N 2 2 330.520 3.615 50 0 EHAALP CCCCc1[nH]cc(CN2C[C@H]3CC[C@H](C[N@H+]3CC=C(C)C)C2)[nH+]1 ZINC000091381557 563975358 /nfs/dbraw/zinc/97/53/58/563975358.db2.gz JPIYOMNVOZKDJS-PKOBYXMFSA-N 2 2 330.520 3.615 50 0 EHAALP CCCCc1[nH]cc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC=C(C)C)C2)[nH+]1 ZINC000091381557 563975359 /nfs/dbraw/zinc/97/53/59/563975359.db2.gz JPIYOMNVOZKDJS-PKOBYXMFSA-N 2 2 330.520 3.615 50 0 EHAALP C[N@@H+]1CC[C@@H](C[NH2+]C2CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136197006 564066373 /nfs/dbraw/zinc/06/63/73/564066373.db2.gz CTHBCLQYGKXSJR-GUYCJALGSA-N 2 2 342.911 3.957 50 0 EHAALP C[N@H+]1CC[C@@H](C[NH2+]C2CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136197006 564066374 /nfs/dbraw/zinc/06/63/74/564066374.db2.gz CTHBCLQYGKXSJR-GUYCJALGSA-N 2 2 342.911 3.957 50 0 EHAALP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000248732930 564077963 /nfs/dbraw/zinc/07/79/63/564077963.db2.gz MHAYETPTHCRDJN-SUMWQHHRSA-N 2 2 335.904 3.797 50 0 EHAALP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000248732930 564077964 /nfs/dbraw/zinc/07/79/64/564077964.db2.gz MHAYETPTHCRDJN-SUMWQHHRSA-N 2 2 335.904 3.797 50 0 EHAALP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000248732926 564077976 /nfs/dbraw/zinc/07/79/76/564077976.db2.gz MHAYETPTHCRDJN-CXAGYDPISA-N 2 2 335.904 3.797 50 0 EHAALP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000248732926 564077977 /nfs/dbraw/zinc/07/79/77/564077977.db2.gz MHAYETPTHCRDJN-CXAGYDPISA-N 2 2 335.904 3.797 50 0 EHAALP CCCCc1[nH]c(C[NH2+]CCc2c(C)[nH]c3ccc(OC)cc32)c[nH+]1 ZINC000006419794 564085605 /nfs/dbraw/zinc/08/56/05/564085605.db2.gz ZEPRNNGNJWIWFA-UHFFFAOYSA-N 2 2 340.471 3.883 50 0 EHAALP C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095419992 564139871 /nfs/dbraw/zinc/13/98/71/564139871.db2.gz ABURSOSQCOHTAC-QGZVFWFLSA-N 2 2 347.466 3.718 50 0 EHAALP Cc1nc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)sc1C ZINC000095968778 564143289 /nfs/dbraw/zinc/14/32/89/564143289.db2.gz ATRCJISSJPBOOK-UHFFFAOYSA-N 2 2 347.503 3.696 50 0 EHAALP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000106216953 1044351169 /nfs/dbraw/zinc/35/11/69/1044351169.db2.gz RUGKVPGHVSQADZ-HNNXBMFYSA-N 2 2 333.863 3.815 50 0 EHAALP COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1 ZINC000025356553 202129541 /nfs/dbraw/zinc/12/95/41/202129541.db2.gz IEIYQAQVAZSTJJ-HNNXBMFYSA-N 2 2 337.423 3.740 50 0 EHAALP C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000215840129 241150393 /nfs/dbraw/zinc/15/03/93/241150393.db2.gz WCQXLJHLHMEEPA-KRWDZBQOSA-N 2 2 336.439 3.550 50 0 EHAALP C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000215840129 241150397 /nfs/dbraw/zinc/15/03/97/241150397.db2.gz WCQXLJHLHMEEPA-KRWDZBQOSA-N 2 2 336.439 3.550 50 0 EHAALP COc1ccc(Cl)cc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000048713119 563924563 /nfs/dbraw/zinc/92/45/63/563924563.db2.gz LJYRKXFTJDSFKY-UHFFFAOYSA-N 2 2 331.847 3.502 50 0 EHAALP c1sc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1C[NH+]1CCCC1 ZINC000097775485 563981887 /nfs/dbraw/zinc/98/18/87/563981887.db2.gz RJYOPNWYXOGEJW-FQEVSTJZSA-N 2 2 342.508 3.917 50 0 EHAALP c1sc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1C[NH+]1CCCC1 ZINC000097775485 563981888 /nfs/dbraw/zinc/98/18/88/563981888.db2.gz RJYOPNWYXOGEJW-FQEVSTJZSA-N 2 2 342.508 3.917 50 0 EHAALP Cc1n[nH]cc1CCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000095420036 564139831 /nfs/dbraw/zinc/13/98/31/564139831.db2.gz RAKQEQWDUCJXLD-UHFFFAOYSA-N 2 2 346.906 3.558 50 0 EHAALP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447476 564140569 /nfs/dbraw/zinc/14/05/69/564140569.db2.gz GCNBJVGWDQVHRK-LRDDRELGSA-N 2 2 339.867 3.718 50 0 EHAALP C[N@H+]1CC[C@@H](C[NH2+]Cc2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447476 564140570 /nfs/dbraw/zinc/14/05/70/564140570.db2.gz GCNBJVGWDQVHRK-LRDDRELGSA-N 2 2 339.867 3.718 50 0 EHAALP COc1ccc([C@@H]2[C@@H](C[NH2+][C@H](C)c3ccc(F)cn3)CC[N@@H+]2C)cc1 ZINC000095983384 564143798 /nfs/dbraw/zinc/14/37/98/564143798.db2.gz UEJVSQZGWMLIJN-AKCHCHLHSA-N 2 2 343.446 3.573 50 0 EHAALP COc1ccc([C@@H]2[C@@H](C[NH2+][C@H](C)c3ccc(F)cn3)CC[N@H+]2C)cc1 ZINC000095983384 564143799 /nfs/dbraw/zinc/14/37/99/564143799.db2.gz UEJVSQZGWMLIJN-AKCHCHLHSA-N 2 2 343.446 3.573 50 0 EHAALP CCOc1ccc(OCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)cc1 ZINC000171523187 1034438844 /nfs/dbraw/zinc/43/88/44/1034438844.db2.gz FMXQXDAQLTUKPI-QGZVFWFLSA-N 2 2 343.471 3.560 50 0 EHAALP CCOc1ccc(OCC[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)cc1 ZINC000171523187 1034438857 /nfs/dbraw/zinc/43/88/57/1034438857.db2.gz FMXQXDAQLTUKPI-QGZVFWFLSA-N 2 2 343.471 3.560 50 0 EHAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC000822619904 1131004858 /nfs/dbraw/zinc/00/48/58/1131004858.db2.gz FRRPJRNQUZHKFC-OAHLLOKOSA-N 2 2 332.879 3.574 50 0 EHAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC000822619899 1131005310 /nfs/dbraw/zinc/00/53/10/1131005310.db2.gz FRRPJRNQUZHKFC-HNNXBMFYSA-N 2 2 332.879 3.574 50 0 EHAALP Clc1cccc(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000078394258 202390396 /nfs/dbraw/zinc/39/03/96/202390396.db2.gz SAMYWISCIAZNSW-UHFFFAOYSA-N 2 2 329.875 3.532 50 0 EHAALP Cc1cc2oc(=O)cc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2cc1Cl ZINC000229820750 242203112 /nfs/dbraw/zinc/20/31/12/242203112.db2.gz OVMFTOXSPVHTNF-DZGCQCFKSA-N 2 2 348.874 3.669 50 0 EHAALP Cc1cc2oc(=O)cc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2cc1Cl ZINC000229820750 242203116 /nfs/dbraw/zinc/20/31/16/242203116.db2.gz OVMFTOXSPVHTNF-DZGCQCFKSA-N 2 2 348.874 3.669 50 0 EHAALP Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)c2cc1Cl ZINC000229820750 242203120 /nfs/dbraw/zinc/20/31/20/242203120.db2.gz OVMFTOXSPVHTNF-DZGCQCFKSA-N 2 2 348.874 3.669 50 0 EHAALP Cc1cc2oc(=O)cc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)c2cc1Cl ZINC000229820750 242203123 /nfs/dbraw/zinc/20/31/23/242203123.db2.gz OVMFTOXSPVHTNF-DZGCQCFKSA-N 2 2 348.874 3.669 50 0 EHAALP CCCn1ccnc1C[N@@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000072131899 203165929 /nfs/dbraw/zinc/16/59/29/203165929.db2.gz FCFJFXOFFFNCOC-MRXNPFEDSA-N 2 2 337.471 3.624 50 0 EHAALP CCCn1ccnc1C[N@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000072131899 203165932 /nfs/dbraw/zinc/16/59/32/203165932.db2.gz FCFJFXOFFFNCOC-MRXNPFEDSA-N 2 2 337.471 3.624 50 0 EHAALP C[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c(F)c1 ZINC000095423490 218365929 /nfs/dbraw/zinc/36/59/29/218365929.db2.gz LKXPUTDEIBULIA-AWEZNQCLSA-N 2 2 331.410 3.722 50 0 EHAALP c1cn(CCCn2cc[nH+]c2-c2ccc(-c3ccccn3)cc2)c[nH+]1 ZINC000067789801 563962763 /nfs/dbraw/zinc/96/27/63/563962763.db2.gz IVCDPALBOZEOOL-UHFFFAOYSA-N 2 2 329.407 3.899 50 0 EHAALP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000097159351 563968339 /nfs/dbraw/zinc/96/83/39/563968339.db2.gz HDRXIJQLUNDKFD-UHFFFAOYSA-N 2 2 347.422 3.513 50 0 EHAALP Cc1nnc([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000338271973 563986686 /nfs/dbraw/zinc/98/66/86/563986686.db2.gz CAFNUFOHQLFTCI-LSDHHAIUSA-N 2 2 336.549 3.884 50 0 EHAALP Cc1nnc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000338271973 563986687 /nfs/dbraw/zinc/98/66/87/563986687.db2.gz CAFNUFOHQLFTCI-LSDHHAIUSA-N 2 2 336.549 3.884 50 0 EHAALP COc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000195556462 564123812 /nfs/dbraw/zinc/12/38/12/564123812.db2.gz QONYXESWMBNRHF-MRXNPFEDSA-N 2 2 342.405 3.689 50 0 EHAALP Cc1cc2oc(=O)cc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c2cc1Cl ZINC000078876505 564137314 /nfs/dbraw/zinc/13/73/14/564137314.db2.gz OVMFTOXSPVHTNF-UKRRQHHQSA-N 2 2 348.874 3.669 50 0 EHAALP Cc1cc2oc(=O)cc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2cc1Cl ZINC000078876505 564137315 /nfs/dbraw/zinc/13/73/15/564137315.db2.gz OVMFTOXSPVHTNF-UKRRQHHQSA-N 2 2 348.874 3.669 50 0 EHAALP Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)c2cc1Cl ZINC000078876505 564137316 /nfs/dbraw/zinc/13/73/16/564137316.db2.gz OVMFTOXSPVHTNF-UKRRQHHQSA-N 2 2 348.874 3.669 50 0 EHAALP Cc1cc2oc(=O)cc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)c2cc1Cl ZINC000078876505 564137317 /nfs/dbraw/zinc/13/73/17/564137317.db2.gz OVMFTOXSPVHTNF-UKRRQHHQSA-N 2 2 348.874 3.669 50 0 EHAALP Cc1c[nH+]c([C@@H]2CC[N@@H+](Cc3cccnc3)C2)n1Cc1ccccc1 ZINC000169791952 1032660517 /nfs/dbraw/zinc/66/05/17/1032660517.db2.gz STEKGVIJRAHVIK-HXUWFJFHSA-N 2 2 332.451 3.624 50 0 EHAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(-c2ccccc2OC)s1 ZINC000952965044 1137484098 /nfs/dbraw/zinc/48/40/98/1137484098.db2.gz BLXXYJYMQWDUGN-AWEZNQCLSA-N 2 2 342.468 3.584 50 0 EHAALP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCOc3ccccc32)CC1 ZINC000097057118 201380023 /nfs/dbraw/zinc/38/00/23/201380023.db2.gz HRGSVOWJLZWVEC-CQSZACIVSA-N 2 2 342.405 3.559 50 0 EHAALP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000193110480 240027268 /nfs/dbraw/zinc/02/72/68/240027268.db2.gz MHAYETPTHCRDJN-GUYCJALGSA-N 2 2 335.904 3.797 50 0 EHAALP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000193110480 240027274 /nfs/dbraw/zinc/02/72/74/240027274.db2.gz MHAYETPTHCRDJN-GUYCJALGSA-N 2 2 335.904 3.797 50 0 EHAALP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000072146468 203170774 /nfs/dbraw/zinc/17/07/74/203170774.db2.gz ANNIWIPIAVGBCF-ZDUSSCGKSA-N 2 2 339.270 3.806 50 0 EHAALP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000072146468 203170778 /nfs/dbraw/zinc/17/07/78/203170778.db2.gz ANNIWIPIAVGBCF-ZDUSSCGKSA-N 2 2 339.270 3.806 50 0 EHAALP COc1ccc(F)c(F)c1C[N@@H+]1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000216214848 536599673 /nfs/dbraw/zinc/59/96/73/536599673.db2.gz FJZLMLSRFYFARS-CQSZACIVSA-N 2 2 335.398 3.615 50 0 EHAALP COc1ccc(F)c(F)c1C[N@H+]1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000216214848 536599674 /nfs/dbraw/zinc/59/96/74/536599674.db2.gz FJZLMLSRFYFARS-CQSZACIVSA-N 2 2 335.398 3.615 50 0 EHAALP C[C@H]1CCC[C@@H]([NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)C1 ZINC000002734701 563447406 /nfs/dbraw/zinc/44/74/06/563447406.db2.gz SVKBQAXMGBRMLF-SIKLNZKXSA-N 2 2 341.543 3.852 50 0 EHAALP c1cn(Cc2cscn2)c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000095390224 563976933 /nfs/dbraw/zinc/97/69/33/563976933.db2.gz BWGPCSCLJZQKSL-QGZVFWFLSA-N 2 2 338.480 3.768 50 0 EHAALP c1cn(Cc2cscn2)c([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000095390224 563976934 /nfs/dbraw/zinc/97/69/34/563976934.db2.gz BWGPCSCLJZQKSL-QGZVFWFLSA-N 2 2 338.480 3.768 50 0 EHAALP COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000025356095 564037161 /nfs/dbraw/zinc/03/71/61/564037161.db2.gz BSODGRRHZBWELH-OAHLLOKOSA-N 2 2 337.423 3.740 50 0 EHAALP COc1ccc([C@@H]2[C@H](C[NH2+][C@@H](C)c3ccc(F)cn3)CC[N@@H+]2C)cc1 ZINC000095983381 564143816 /nfs/dbraw/zinc/14/38/16/564143816.db2.gz UEJVSQZGWMLIJN-DKICVRJWSA-N 2 2 343.446 3.573 50 0 EHAALP COc1ccc([C@@H]2[C@H](C[NH2+][C@@H](C)c3ccc(F)cn3)CC[N@H+]2C)cc1 ZINC000095983381 564143817 /nfs/dbraw/zinc/14/38/17/564143817.db2.gz UEJVSQZGWMLIJN-DKICVRJWSA-N 2 2 343.446 3.573 50 0 EHAALP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CCc4[nH+]c(C)cn4C3)oc21 ZINC000095987866 564144004 /nfs/dbraw/zinc/14/40/04/564144004.db2.gz XQOOCYCCSFKVOK-DZGCQCFKSA-N 2 2 325.412 3.612 50 0 EHAALP [NH3+]CC[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000022917510 202095986 /nfs/dbraw/zinc/09/59/86/202095986.db2.gz GHMNCFVNGJNFHU-HNNXBMFYSA-N 2 2 339.664 3.740 50 0 EHAALP c1cn(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)c[nH+]1 ZINC000026309145 202141170 /nfs/dbraw/zinc/14/11/70/202141170.db2.gz NUIZLVBLCQDKPG-UHFFFAOYSA-N 2 2 343.434 3.526 50 0 EHAALP Cc1nn(C)c(C)c1C[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000216139860 241168869 /nfs/dbraw/zinc/16/88/69/241168869.db2.gz RRDZZDRCMPOHPS-UHFFFAOYSA-N 2 2 346.544 3.716 50 0 EHAALP Cc1nn(C)c(C)c1C[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000216139860 241168877 /nfs/dbraw/zinc/16/88/77/241168877.db2.gz RRDZZDRCMPOHPS-UHFFFAOYSA-N 2 2 346.544 3.716 50 0 EHAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000215469635 241129790 /nfs/dbraw/zinc/12/97/90/241129790.db2.gz QEWOFKPRIGHRIQ-INIZCTEOSA-N 2 2 325.456 3.513 50 0 EHAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000215469635 241129795 /nfs/dbraw/zinc/12/97/95/241129795.db2.gz QEWOFKPRIGHRIQ-INIZCTEOSA-N 2 2 325.456 3.513 50 0 EHAALP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000069738563 203043465 /nfs/dbraw/zinc/04/34/65/203043465.db2.gz INBOIUNPBGMQDD-INIZCTEOSA-N 2 2 348.450 3.700 50 0 EHAALP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Cc1cccs1 ZINC000108459582 204261936 /nfs/dbraw/zinc/26/19/36/204261936.db2.gz CZVJSCKEANEKML-ABSDTBQOSA-N 2 2 343.540 3.822 50 0 EHAALP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Cc1cccs1 ZINC000108459582 204261940 /nfs/dbraw/zinc/26/19/40/204261940.db2.gz CZVJSCKEANEKML-ABSDTBQOSA-N 2 2 343.540 3.822 50 0 EHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC(C)(C)Cc3occc32)cn1 ZINC000097016571 563966728 /nfs/dbraw/zinc/96/67/28/563966728.db2.gz LYJWRYQXSKAKNO-KRWDZBQOSA-N 2 2 336.439 3.972 50 0 EHAALP CC[C@H](C)c1ccc(NC(=O)[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000006085823 564073766 /nfs/dbraw/zinc/07/37/66/564073766.db2.gz SACHYHKHZUGKQY-HOTGVXAUSA-N 2 2 333.520 3.705 50 0 EHAALP C[C@@H](Cc1ccsc1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667680 564085845 /nfs/dbraw/zinc/08/58/45/564085845.db2.gz CQIMUYSRYCMGAF-HOTGVXAUSA-N 2 2 329.513 3.889 50 0 EHAALP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091405540 564087581 /nfs/dbraw/zinc/08/75/81/564087581.db2.gz DXICFLOYPFTVOC-CYBMUJFWSA-N 2 2 328.847 3.823 50 0 EHAALP c1cn(-c2cc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)ccn2)c[nH+]1 ZINC000095421122 564139954 /nfs/dbraw/zinc/13/99/54/564139954.db2.gz KIPYHSUSUWYNRU-SFHVURJKSA-N 2 2 346.434 3.803 50 0 EHAALP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)o1 ZINC000095420848 564140011 /nfs/dbraw/zinc/14/00/11/564140011.db2.gz OBXJKMIFYULFOV-IAGOWNOFSA-N 2 2 328.456 3.660 50 0 EHAALP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)o1 ZINC000095420848 564140012 /nfs/dbraw/zinc/14/00/12/564140012.db2.gz OBXJKMIFYULFOV-IAGOWNOFSA-N 2 2 328.456 3.660 50 0 EHAALP Fc1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccnc2)cc1 ZINC000097021381 564149154 /nfs/dbraw/zinc/14/91/54/564149154.db2.gz SQDVGCZMAIJVAC-ZCNNSNEGSA-N 2 2 325.431 3.527 50 0 EHAALP Fc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccnc2)cc1 ZINC000097021381 564149155 /nfs/dbraw/zinc/14/91/55/564149155.db2.gz SQDVGCZMAIJVAC-ZCNNSNEGSA-N 2 2 325.431 3.527 50 0 EHAALP Cn1c2ccccc2c(C(=O)C[NH2+]CCC[NH+](C)C)c1-c1ccccc1 ZINC000003292345 564157079 /nfs/dbraw/zinc/15/70/79/564157079.db2.gz JDURVNDHPNVKRU-UHFFFAOYSA-N 2 2 349.478 3.569 50 0 EHAALP COCCCn1c(C)c[nH+]c1[C@@H]1CC[N@H+](Cc2sccc2C)C1 ZINC000169788033 1032653135 /nfs/dbraw/zinc/65/31/35/1032653135.db2.gz DAJLCQPAGYJBMN-MRXNPFEDSA-N 2 2 333.501 3.587 50 0 EHAALP COCCCn1c(C)c[nH+]c1[C@@H]1CC[N@@H+](Cc2sccc2C)C1 ZINC000169788033 1032653151 /nfs/dbraw/zinc/65/31/51/1032653151.db2.gz DAJLCQPAGYJBMN-MRXNPFEDSA-N 2 2 333.501 3.587 50 0 EHAALP c1ccc([C@H](CC2CCC2)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655753399 1017535463 /nfs/dbraw/zinc/53/54/63/1017535463.db2.gz ZYVZNIQVAKXAAF-RTWAWAEBSA-N 2 2 328.500 3.761 50 0 EHAALP c1csc(C[NH+]2CCC([NH2+][C@@H]3CCc4ccccc4C3)CC2)c1 ZINC000829078395 1131446938 /nfs/dbraw/zinc/44/69/38/1131446938.db2.gz YFMPMRJDUUEYQV-LJQANCHMSA-N 2 2 326.509 3.860 50 0 EHAALP Cc1ccc([C@H](CC[NH2+]CC[NH+](C)C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000020566490 202048994 /nfs/dbraw/zinc/04/89/94/202048994.db2.gz OFXYFIUSQDZZBQ-UXHICEINSA-N 2 2 332.532 3.825 50 0 EHAALP FC(F)Oc1ccccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000078612759 202399114 /nfs/dbraw/zinc/39/91/14/202399114.db2.gz FUMKJSODZIKOLI-UHFFFAOYSA-N 2 2 329.350 3.764 50 0 EHAALP Cc1nn(C(C)C)c(C)c1[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000095419954 370697130 /nfs/dbraw/zinc/69/71/30/370697130.db2.gz DVRCQEAKCKEWIE-CQSZACIVSA-N 2 2 325.460 3.622 50 0 EHAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(C3CCCCC3)no2)C1 ZINC000244816947 243084918 /nfs/dbraw/zinc/08/49/18/243084918.db2.gz SRQFRJOKQWKSEM-INIZCTEOSA-N 2 2 328.460 3.835 50 0 EHAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(C3CCCCC3)no2)C1 ZINC000244816947 243084923 /nfs/dbraw/zinc/08/49/23/243084923.db2.gz SRQFRJOKQWKSEM-INIZCTEOSA-N 2 2 328.460 3.835 50 0 EHAALP Fc1ccc([C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C2CC2)cc1 ZINC000095422189 564140027 /nfs/dbraw/zinc/14/00/27/564140027.db2.gz UNCNGUSVVOBZHH-OAQYLSRUSA-N 2 2 339.458 3.926 50 0 EHAALP C[C@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)Cc1cccs1 ZINC000095968543 564143199 /nfs/dbraw/zinc/14/31/99/564143199.db2.gz DOGVSJXVDJSHNH-INIZCTEOSA-N 2 2 329.513 3.576 50 0 EHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC(C)(C)Cc3occc32)cn1 ZINC000097016570 563966703 /nfs/dbraw/zinc/96/67/03/563966703.db2.gz LYJWRYQXSKAKNO-QGZVFWFLSA-N 2 2 336.439 3.972 50 0 EHAALP Cn1cc[nH+]c1C1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000091444780 563975397 /nfs/dbraw/zinc/97/53/97/563975397.db2.gz MZGOMYUDUPTKKN-UHFFFAOYSA-N 2 2 338.480 3.923 50 0 EHAALP CCn1c2ccccc2nc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000063319732 564057058 /nfs/dbraw/zinc/05/70/58/564057058.db2.gz HHYFFOOVKRQBEZ-UHFFFAOYSA-N 2 2 340.515 3.800 50 0 EHAALP Cc1[nH+]ccn1CC[C@H](C)[NH2+]CCCc1[nH]c2ccc(C)c(C)c2[nH+]1 ZINC000534653374 564061396 /nfs/dbraw/zinc/06/13/96/564061396.db2.gz GZMDVXMBADCMII-HNNXBMFYSA-N 3 2 339.487 3.686 50 0 EHAALP Cc1[nH+]ccn1CC[C@H](C)[NH2+]CCCc1[nH]c2c(ccc(C)c2C)[nH+]1 ZINC000534653374 564061397 /nfs/dbraw/zinc/06/13/97/564061397.db2.gz GZMDVXMBADCMII-HNNXBMFYSA-N 3 2 339.487 3.686 50 0 EHAALP COc1cccc2cc(C[NH2+]C[C@H]3CCCn4cc(C)[nH+]c43)oc21 ZINC000089702119 564113171 /nfs/dbraw/zinc/11/31/71/564113171.db2.gz QDQNJZNDSDGBOT-OAHLLOKOSA-N 2 2 325.412 3.614 50 0 EHAALP Fc1ccc(C(F)(F)F)cc1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000089768306 564113633 /nfs/dbraw/zinc/11/36/33/564113633.db2.gz IZQCLHKYXGWHJL-LLVKDONJSA-N 2 2 327.325 3.708 50 0 EHAALP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccnc2)cc1 ZINC000253370582 564130318 /nfs/dbraw/zinc/13/03/18/564130318.db2.gz SQDVGCZMAIJVAC-AABGKKOBSA-N 2 2 325.431 3.527 50 0 EHAALP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2cccnc2)cc1 ZINC000253370582 564130319 /nfs/dbraw/zinc/13/03/19/564130319.db2.gz SQDVGCZMAIJVAC-AABGKKOBSA-N 2 2 325.431 3.527 50 0 EHAALP COc1ccc2[nH]cc(C3=CC[N@H+](CCCn4cc[nH+]c4)CC3)c2c1 ZINC000095987319 564143972 /nfs/dbraw/zinc/14/39/72/564143972.db2.gz IROCSCVMKZRWAI-UHFFFAOYSA-N 2 2 336.439 3.552 50 0 EHAALP COc1ccc2[nH]cc(C3=CC[N@@H+](CCCn4cc[nH+]c4)CC3)c2c1 ZINC000095987319 564143973 /nfs/dbraw/zinc/14/39/73/564143973.db2.gz IROCSCVMKZRWAI-UHFFFAOYSA-N 2 2 336.439 3.552 50 0 EHAALP CC(C)Nc1cc[nH+]c(N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000072424523 203222093 /nfs/dbraw/zinc/22/20/93/203222093.db2.gz TVFRAWDJZZTCKF-MRXNPFEDSA-N 2 2 343.450 3.513 50 0 EHAALP CC(C)Nc1cc[nH+]c(N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000072424523 203222094 /nfs/dbraw/zinc/22/20/94/203222094.db2.gz TVFRAWDJZZTCKF-MRXNPFEDSA-N 2 2 343.450 3.513 50 0 EHAALP COc1ccc(OC)c(C[NH+]2CCC([NH+]3CCCCCC3)CC2)c1 ZINC000000317587 563283430 /nfs/dbraw/zinc/28/34/30/563283430.db2.gz CLLAAYNFTDRUEM-UHFFFAOYSA-N 2 2 332.488 3.544 50 0 EHAALP c1[nH]c2c([nH+]1)CCN(C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C21CCCCC1 ZINC000055269814 563934326 /nfs/dbraw/zinc/93/43/26/563934326.db2.gz SFESPDWQHIKBQU-PKOBYXMFSA-N 2 2 342.531 3.692 50 0 EHAALP c1[nH]c2c([nH+]1)CCN(C[C@@H]1CCC[N@H+]3CCCC[C@H]13)C21CCCCC1 ZINC000055269814 563934328 /nfs/dbraw/zinc/93/43/28/563934328.db2.gz SFESPDWQHIKBQU-PKOBYXMFSA-N 2 2 342.531 3.692 50 0 EHAALP Clc1ccccc1-c1cc(C2CC[NH+]([C@H]3CCC[NH2+]C3)CC2)[nH]n1 ZINC000067920289 563963121 /nfs/dbraw/zinc/96/31/21/563963121.db2.gz LLEUZHNBPOCIQA-HNNXBMFYSA-N 2 2 344.890 3.662 50 0 EHAALP C[C@H](CCc1cccn1C)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000108357953 564028129 /nfs/dbraw/zinc/02/81/29/564028129.db2.gz MQPAAUFQRLSRCG-QWFCFKBJSA-N 2 2 325.500 3.771 50 0 EHAALP C[C@H](CCc1cccn1C)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000108357953 564028130 /nfs/dbraw/zinc/02/81/30/564028130.db2.gz MQPAAUFQRLSRCG-QWFCFKBJSA-N 2 2 325.500 3.771 50 0 EHAALP Cc1ccncc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000241277737 564051931 /nfs/dbraw/zinc/05/19/31/564051931.db2.gz LISUTRPWCXXSGN-KXBFYZLASA-N 2 2 347.865 3.965 50 0 EHAALP Cc1ccncc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000241277737 564051932 /nfs/dbraw/zinc/05/19/32/564051932.db2.gz LISUTRPWCXXSGN-KXBFYZLASA-N 2 2 347.865 3.965 50 0 EHAALP Cc1csc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)nc3)CCCC2)n1 ZINC000083215654 564061994 /nfs/dbraw/zinc/06/19/94/564061994.db2.gz XCWJVNQAOJVHQW-UHFFFAOYSA-N 2 2 339.468 3.591 50 0 EHAALP Cc1cccc2nc(C[NH2+][C@@H](C)c3cccc(-n4cc[nH+]c4)c3)cn21 ZINC000195577339 564123938 /nfs/dbraw/zinc/12/39/38/564123938.db2.gz PZYXQOJEBXTBGW-INIZCTEOSA-N 2 2 331.423 3.679 50 0 EHAALP Oc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCC4)c3[nH+]2)cc1 ZINC000253470638 564132619 /nfs/dbraw/zinc/13/26/19/564132619.db2.gz SWCJQNPHNMDSAQ-UHFFFAOYSA-N 2 2 346.434 3.757 50 0 EHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](CC(C)C)c2ccccn2)cn1 ZINC000095420597 564139987 /nfs/dbraw/zinc/13/99/87/564139987.db2.gz IHJACJKXUMTIEM-IBGZPJMESA-N 2 2 335.455 3.848 50 0 EHAALP c1cn(Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3ccccc3)cc2)c[nH+]1 ZINC000042228310 564174758 /nfs/dbraw/zinc/17/47/58/564174758.db2.gz TVASVAYSZOAEFO-UHFFFAOYSA-N 2 2 343.434 3.611 50 0 EHAALP c1cn(CC2CC[NH+](Cc3cnc(C4CCCCC4)nc3)CC2)c[nH+]1 ZINC000216325219 241183327 /nfs/dbraw/zinc/18/33/27/241183327.db2.gz UKNVIJIWHFHDEX-UHFFFAOYSA-N 2 2 339.487 3.633 50 0 EHAALP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000097016431 563966711 /nfs/dbraw/zinc/96/67/11/563966711.db2.gz GFDXIFPRYFCMGT-PXNSSMCTSA-N 2 2 341.524 3.674 50 0 EHAALP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000097016431 563966712 /nfs/dbraw/zinc/96/67/12/563966712.db2.gz GFDXIFPRYFCMGT-PXNSSMCTSA-N 2 2 341.524 3.674 50 0 EHAALP Cc1ncsc1C[NH+]1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091305424 563975230 /nfs/dbraw/zinc/97/52/30/563975230.db2.gz MKGBKVUYRSKQDL-UHFFFAOYSA-N 2 2 330.501 3.828 50 0 EHAALP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(F)c(F)c(F)c1 ZINC000089904544 564114974 /nfs/dbraw/zinc/11/49/74/564114974.db2.gz HIQKRAQTZLBOIZ-LBPRGKRZSA-N 2 2 335.373 3.819 50 0 EHAALP COc1cccc2cc([C@@H](C)[NH2+]CCc3cn4c([nH+]3)CCCC4)oc21 ZINC000095987792 564143964 /nfs/dbraw/zinc/14/39/64/564143964.db2.gz PVJXNBIMPKTRFY-CQSZACIVSA-N 2 2 339.439 3.868 50 0 EHAALP Cc1ccccc1N1CCC([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000825236164 1131259097 /nfs/dbraw/zinc/25/90/97/1131259097.db2.gz DKXWIMXDKUJBKK-HXUWFJFHSA-N 2 2 340.515 3.865 50 0 EHAALP Cc1c[nH+]c(-c2ccncc2)n1C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000575547473 1131572369 /nfs/dbraw/zinc/57/23/69/1131572369.db2.gz DTCNKPQDMZXKBD-LJQANCHMSA-N 2 2 347.466 3.561 50 0 EHAALP Cc1c[nH+]c(-c2ccncc2)n1C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000575547473 1131572373 /nfs/dbraw/zinc/57/23/73/1131572373.db2.gz DTCNKPQDMZXKBD-LJQANCHMSA-N 2 2 347.466 3.561 50 0 EHAALP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc(F)cc2C)CC1 ZINC000952980983 1137484319 /nfs/dbraw/zinc/48/43/19/1137484319.db2.gz YDZDHUVXXXVMJM-LJQANCHMSA-N 2 2 333.495 3.567 50 0 EHAALP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc(F)cc2C)CC1 ZINC000952980983 1137484320 /nfs/dbraw/zinc/48/43/20/1137484320.db2.gz YDZDHUVXXXVMJM-LJQANCHMSA-N 2 2 333.495 3.567 50 0 EHAALP C[N@@H+](Cc1cccnc1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000055211191 214288555 /nfs/dbraw/zinc/28/85/55/214288555.db2.gz GFNOLRNQKTZTEV-FQEVSTJZSA-N 2 2 341.474 3.607 50 0 EHAALP C[N@H+](Cc1cccnc1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000055211191 214288559 /nfs/dbraw/zinc/28/85/59/214288559.db2.gz GFNOLRNQKTZTEV-FQEVSTJZSA-N 2 2 341.474 3.607 50 0 EHAALP C[NH+](Cc1cccnc1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000055211191 214288561 /nfs/dbraw/zinc/28/85/61/214288561.db2.gz GFNOLRNQKTZTEV-FQEVSTJZSA-N 2 2 341.474 3.607 50 0 EHAALP C[NH+](Cc1cccnc1)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000055211191 214288565 /nfs/dbraw/zinc/28/85/65/214288565.db2.gz GFNOLRNQKTZTEV-FQEVSTJZSA-N 2 2 341.474 3.607 50 0 EHAALP Cc1cc(-n2cccn2)ccc1-c1[nH+]ccn1CC[C@@H]1CCC[N@H+]1C ZINC000067851357 215230983 /nfs/dbraw/zinc/23/09/83/215230983.db2.gz RSPRWIQTDTWVQK-KRWDZBQOSA-N 2 2 335.455 3.529 50 0 EHAALP Cc1cc(-n2cccn2)ccc1-c1[nH+]ccn1CC[C@@H]1CCC[N@@H+]1C ZINC000067851357 215230986 /nfs/dbraw/zinc/23/09/86/215230986.db2.gz RSPRWIQTDTWVQK-KRWDZBQOSA-N 2 2 335.455 3.529 50 0 EHAALP CSc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C[NH3+])C3)c(C)o2)cc1 ZINC000067935125 215254348 /nfs/dbraw/zinc/25/43/48/215254348.db2.gz NZUFBPWDRBJYSY-CQSZACIVSA-N 2 2 331.485 3.543 50 0 EHAALP CSc1ccc(-c2nc(C[N@H+]3CCC[C@H](C[NH3+])C3)c(C)o2)cc1 ZINC000067935125 215254350 /nfs/dbraw/zinc/25/43/50/215254350.db2.gz NZUFBPWDRBJYSY-CQSZACIVSA-N 2 2 331.485 3.543 50 0 EHAALP c1coc(-c2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cs2)c1 ZINC000040540614 213343033 /nfs/dbraw/zinc/34/30/33/213343033.db2.gz LXXBZRGNTLVJBU-UHFFFAOYSA-N 2 2 331.485 3.711 50 0 EHAALP Cc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3CC[NH+](C)C)on2)cc1 ZINC000072169742 216061056 /nfs/dbraw/zinc/06/10/56/216061056.db2.gz YOWYUTSSZJNWBQ-GOSISDBHSA-N 2 2 327.472 3.956 50 0 EHAALP Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3CC[NH+](C)C)on2)cc1 ZINC000072169742 216061057 /nfs/dbraw/zinc/06/10/57/216061057.db2.gz YOWYUTSSZJNWBQ-GOSISDBHSA-N 2 2 327.472 3.956 50 0 EHAALP Cc1oc(-c2cccs2)nc1C[N@@H+](C)CCCc1[nH+]ccn1C ZINC000215863074 241151656 /nfs/dbraw/zinc/15/16/56/241151656.db2.gz ZMSDPWQWSBQPDA-UHFFFAOYSA-N 2 2 330.457 3.510 50 0 EHAALP Cc1oc(-c2cccs2)nc1C[N@H+](C)CCCc1[nH+]ccn1C ZINC000215863074 241151663 /nfs/dbraw/zinc/15/16/63/241151663.db2.gz ZMSDPWQWSBQPDA-UHFFFAOYSA-N 2 2 330.457 3.510 50 0 EHAALP COc1cc(C[N@H+]2C[C@H]3CC[C@H](C[NH+]3C)C2)ccc1OCC=C(C)C ZINC000091462542 218010548 /nfs/dbraw/zinc/01/05/48/218010548.db2.gz UOTMOVPQUQCNGD-RTBURBONSA-N 2 2 344.499 3.566 50 0 EHAALP COc1cc(C[N@@H+]2C[C@H]3CC[C@H](C[NH+]3C)C2)ccc1OCC=C(C)C ZINC000091462542 218010550 /nfs/dbraw/zinc/01/05/50/218010550.db2.gz UOTMOVPQUQCNGD-RTBURBONSA-N 2 2 344.499 3.566 50 0 EHAALP COc1cc(C[NH+]2C[C@H]3CC[C@H](C[N@H+]3C)C2)ccc1OCC=C(C)C ZINC000091462542 218010553 /nfs/dbraw/zinc/01/05/53/218010553.db2.gz UOTMOVPQUQCNGD-RTBURBONSA-N 2 2 344.499 3.566 50 0 EHAALP COc1cc(C[NH+]2C[C@H]3CC[C@H](C[N@@H+]3C)C2)ccc1OCC=C(C)C ZINC000091462542 218010556 /nfs/dbraw/zinc/01/05/56/218010556.db2.gz UOTMOVPQUQCNGD-RTBURBONSA-N 2 2 344.499 3.566 50 0 EHAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nc(C(C)C)no2)C1 ZINC000095388684 218320547 /nfs/dbraw/zinc/32/05/47/218320547.db2.gz PLALPZYRLCWTGM-OAHLLOKOSA-N 2 2 331.464 3.569 50 0 EHAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC000095388684 218320550 /nfs/dbraw/zinc/32/05/50/218320550.db2.gz PLALPZYRLCWTGM-OAHLLOKOSA-N 2 2 331.464 3.569 50 0 EHAALP CCCc1c[nH+]c(C)nc1N1CCC[C@@H](c2[nH+]ccn2C(C)C)C1 ZINC000095390992 218322455 /nfs/dbraw/zinc/32/24/55/218322455.db2.gz SWHGUYGZNBXVMT-QGZVFWFLSA-N 2 2 327.476 3.899 50 0 EHAALP CCCc1nc(N2CC[NH+](C/C(C)=C/c3ccco3)CC2)cc(C)[nH+]1 ZINC000065372106 563958495 /nfs/dbraw/zinc/95/84/95/563958495.db2.gz CPVUBJFTWKEIOX-DTQAZKPQSA-N 2 2 340.471 3.556 50 0 EHAALP Clc1ccc([C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)cc1Cl ZINC000071774573 563965709 /nfs/dbraw/zinc/96/57/09/563965709.db2.gz MTFISSZFZCEBIA-INIZCTEOSA-N 2 2 340.254 3.654 50 0 EHAALP Clc1ccc([C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)cc1Cl ZINC000071774573 563965710 /nfs/dbraw/zinc/96/57/10/563965710.db2.gz MTFISSZFZCEBIA-INIZCTEOSA-N 2 2 340.254 3.654 50 0 EHAALP Cc1n[nH]c(C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1Cl ZINC000097173288 563981361 /nfs/dbraw/zinc/98/13/61/563981361.db2.gz KDVUFJYHVFCJKY-ZDUSSCGKSA-N 2 2 343.862 3.703 50 0 EHAALP Cc1n[nH]c(C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1Cl ZINC000097173288 563981362 /nfs/dbraw/zinc/98/13/62/563981362.db2.gz KDVUFJYHVFCJKY-ZDUSSCGKSA-N 2 2 343.862 3.703 50 0 EHAALP c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000015184004 564024025 /nfs/dbraw/zinc/02/40/25/564024025.db2.gz LCPNHQSFUSGCEY-UHFFFAOYSA-N 2 2 346.478 3.627 50 0 EHAALP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000090667442 564085855 /nfs/dbraw/zinc/08/58/55/564085855.db2.gz RAXBHTJREDDUTB-CRAIPNDOSA-N 2 2 331.504 3.543 50 0 EHAALP Clc1nc2ccccc2cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000065575514 564107664 /nfs/dbraw/zinc/10/76/64/564107664.db2.gz FWQLCQXAMCYCFG-INIZCTEOSA-N 2 2 326.831 3.922 50 0 EHAALP Clc1nc2ccccc2cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000065575514 564107665 /nfs/dbraw/zinc/10/76/65/564107665.db2.gz FWQLCQXAMCYCFG-INIZCTEOSA-N 2 2 326.831 3.922 50 0 EHAALP CC[N@@H+](Cc1csc(C)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108959 564115890 /nfs/dbraw/zinc/11/58/90/564115890.db2.gz GHFCDOMKZVXIHB-UHFFFAOYSA-N 2 2 330.501 3.585 50 0 EHAALP CC[N@H+](Cc1csc(C)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108959 564115891 /nfs/dbraw/zinc/11/58/91/564115891.db2.gz GHFCDOMKZVXIHB-UHFFFAOYSA-N 2 2 330.501 3.585 50 0 EHAALP c1cn(C2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)c[nH+]1 ZINC000095955985 564142529 /nfs/dbraw/zinc/14/25/29/564142529.db2.gz GHFYUAZHAPZXBF-UHFFFAOYSA-N 2 2 348.450 3.694 50 0 EHAALP Cc1ccc([C@H](O)C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)cc1 ZINC000095987823 564143984 /nfs/dbraw/zinc/14/39/84/564143984.db2.gz QDNOXYSTUUWINT-VLCRHTCISA-N 2 2 338.495 3.529 50 0 EHAALP Cc1ccc([C@H](O)C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)cc1 ZINC000095987823 564143985 /nfs/dbraw/zinc/14/39/85/564143985.db2.gz QDNOXYSTUUWINT-VLCRHTCISA-N 2 2 338.495 3.529 50 0 EHAALP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000192148999 1137025845 /nfs/dbraw/zinc/02/58/45/1137025845.db2.gz FYLQYIIUZNJPAK-OAHLLOKOSA-N 2 2 335.407 3.760 50 0 EHAALP CCn1c(C[NH2+]CCn2c(C)[nH+]c3ccccc32)nc2ccccc21 ZINC000054041180 214212382 /nfs/dbraw/zinc/21/23/82/214212382.db2.gz PFLSNYDCNZGWDQ-UHFFFAOYSA-N 2 2 333.439 3.504 50 0 EHAALP Cc1[nH+]ccn1CCC1CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000055073284 214269320 /nfs/dbraw/zinc/26/93/20/214269320.db2.gz NUKKBHRUEPJXHK-LEWJYISDSA-N 3 2 344.547 3.558 50 0 EHAALP Cc1[nH+]ccn1CCC1CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000055073284 214269324 /nfs/dbraw/zinc/26/93/24/214269324.db2.gz NUKKBHRUEPJXHK-LEWJYISDSA-N 3 2 344.547 3.558 50 0 EHAALP Fc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C(F)(F)F)c1 ZINC000092659332 218157812 /nfs/dbraw/zinc/15/78/12/218157812.db2.gz LUEMPIJUGLVZFV-UHFFFAOYSA-N 2 2 327.325 3.878 50 0 EHAALP CC(C)c1noc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3CC3CCC3)C2)n1 ZINC000095366385 218299486 /nfs/dbraw/zinc/29/94/86/218299486.db2.gz FLVMADNEUVFVDV-INIZCTEOSA-N 2 2 343.475 3.569 50 0 EHAALP CC(C)c1noc(C[N@H+]2CCC[C@H](c3[nH+]ccn3CC3CCC3)C2)n1 ZINC000095366385 218299488 /nfs/dbraw/zinc/29/94/88/218299488.db2.gz FLVMADNEUVFVDV-INIZCTEOSA-N 2 2 343.475 3.569 50 0 EHAALP CC[NH+](CC)Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299777664 258087820 /nfs/dbraw/zinc/08/78/20/258087820.db2.gz NHNJWZNRJBGYMC-KSZLIROESA-N 2 2 340.471 3.604 50 0 EHAALP CC[NH+](CC)Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299777664 258087822 /nfs/dbraw/zinc/08/78/22/258087822.db2.gz NHNJWZNRJBGYMC-KSZLIROESA-N 2 2 340.471 3.604 50 0 EHAALP CC(C)[N@H+](C)Cc1nc([C@H]2C[C@@H](c3ccccc3)[NH+]3CCC[C@H]23)no1 ZINC000299796542 258101248 /nfs/dbraw/zinc/10/12/48/258101248.db2.gz RAGWXHLHJHYIOX-KSZLIROESA-N 2 2 340.471 3.603 50 0 EHAALP CC(C)[N@@H+](C)Cc1nc([C@H]2C[C@@H](c3ccccc3)[NH+]3CCC[C@H]23)no1 ZINC000299796542 258101250 /nfs/dbraw/zinc/10/12/50/258101250.db2.gz RAGWXHLHJHYIOX-KSZLIROESA-N 2 2 340.471 3.603 50 0 EHAALP CC(C)[NH+](C)Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299796542 258101252 /nfs/dbraw/zinc/10/12/52/258101252.db2.gz RAGWXHLHJHYIOX-KSZLIROESA-N 2 2 340.471 3.603 50 0 EHAALP CC(C)[NH+](C)Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299796542 258101254 /nfs/dbraw/zinc/10/12/54/258101254.db2.gz RAGWXHLHJHYIOX-KSZLIROESA-N 2 2 340.471 3.603 50 0 EHAALP Cc1[nH]c2ccccc2c1CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC000069844156 563859075 /nfs/dbraw/zinc/85/90/75/563859075.db2.gz RNKFLUSTYMMYLI-UHFFFAOYSA-N 2 2 345.406 3.547 50 0 EHAALP Cc1ccc(C(=O)CCC[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000082086711 563972010 /nfs/dbraw/zinc/97/20/10/563972010.db2.gz JICIJAGDFATWHG-SFHVURJKSA-N 2 2 325.456 3.571 50 0 EHAALP Cc1ccc(C(=O)CCC[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000082086711 563972011 /nfs/dbraw/zinc/97/20/11/563972011.db2.gz JICIJAGDFATWHG-SFHVURJKSA-N 2 2 325.456 3.571 50 0 EHAALP CCn1cc[nH+]c1[C@H]1CCC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000092028259 563975999 /nfs/dbraw/zinc/97/59/99/563975999.db2.gz QLFBVALRFONFPB-KRWDZBQOSA-N 2 2 343.446 3.885 50 0 EHAALP CCn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000092028259 563976000 /nfs/dbraw/zinc/97/60/00/563976000.db2.gz QLFBVALRFONFPB-KRWDZBQOSA-N 2 2 343.446 3.885 50 0 EHAALP Cc1cc(C[N@H+](C)CCCCCn2c(C)[nH+]c3ccccc32)no1 ZINC000253429649 564131275 /nfs/dbraw/zinc/13/12/75/564131275.db2.gz UFNICRUZYQFHAS-UHFFFAOYSA-N 2 2 326.444 3.943 50 0 EHAALP Cc1cc(C[N@@H+](C)CCCCCn2c(C)[nH+]c3ccccc32)no1 ZINC000253429649 564131276 /nfs/dbraw/zinc/13/12/76/564131276.db2.gz UFNICRUZYQFHAS-UHFFFAOYSA-N 2 2 326.444 3.943 50 0 EHAALP c1cn(CCOc2ccccc2C[N@@H+]2CCC3(CCCC3)C2)c[nH+]1 ZINC000670438889 564157546 /nfs/dbraw/zinc/15/75/46/564157546.db2.gz WBZYQMNJOGVNLX-UHFFFAOYSA-N 2 2 325.456 3.728 50 0 EHAALP c1cn(CCOc2ccccc2C[N@H+]2CCC3(CCCC3)C2)c[nH+]1 ZINC000670438889 564157547 /nfs/dbraw/zinc/15/75/47/564157547.db2.gz WBZYQMNJOGVNLX-UHFFFAOYSA-N 2 2 325.456 3.728 50 0 EHAALP COc1ccc(F)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)c1 ZINC000011998135 1129248069 /nfs/dbraw/zinc/24/80/69/1129248069.db2.gz AYZPZOJESPSTGE-OAQYLSRUSA-N 2 2 346.490 3.922 50 0 EHAALP COc1ccc(F)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)c1 ZINC000011998135 1129248074 /nfs/dbraw/zinc/24/80/74/1129248074.db2.gz AYZPZOJESPSTGE-OAQYLSRUSA-N 2 2 346.490 3.922 50 0 EHAALP COc1ccc(F)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)c1 ZINC000011998135 1129248077 /nfs/dbraw/zinc/24/80/77/1129248077.db2.gz AYZPZOJESPSTGE-OAQYLSRUSA-N 2 2 346.490 3.922 50 0 EHAALP COc1ccc(F)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)c1 ZINC000011998135 1129248080 /nfs/dbraw/zinc/24/80/80/1129248080.db2.gz AYZPZOJESPSTGE-OAQYLSRUSA-N 2 2 346.490 3.922 50 0 EHAALP c1cn(-c2ccccc2C[NH2+]Cc2ccc([C@@H]3CCCCO3)o2)c[nH+]1 ZINC000952960265 1137483693 /nfs/dbraw/zinc/48/36/93/1137483693.db2.gz VIWUQXWBGOROTE-IBGZPJMESA-N 2 2 337.423 3.997 50 0 EHAALP Cc1ccc[nH+]c1N1CC[NH+](Cc2ccc([C@H]3CCCO3)s2)CC1 ZINC000072166039 216055148 /nfs/dbraw/zinc/05/51/48/216055148.db2.gz XMEFHKJUVJOSLH-QGZVFWFLSA-N 2 2 343.496 3.625 50 0 EHAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000215469685 241128052 /nfs/dbraw/zinc/12/80/52/241128052.db2.gz QEWOFKPRIGHRIQ-MRXNPFEDSA-N 2 2 325.456 3.513 50 0 EHAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000215469685 241128057 /nfs/dbraw/zinc/12/80/57/241128057.db2.gz QEWOFKPRIGHRIQ-MRXNPFEDSA-N 2 2 325.456 3.513 50 0 EHAALP CCC[NH+]1CCC([NH2+]Cc2cccnc2Oc2ccccc2F)CC1 ZINC000012432186 211380238 /nfs/dbraw/zinc/38/02/38/211380238.db2.gz OXBQFTHWOVRQIB-UHFFFAOYSA-N 2 2 343.446 3.977 50 0 EHAALP CCn1cc[nH+]c1C1CC[NH+](CCOc2ccc(C)c(C)c2)CC1 ZINC000091997358 218101094 /nfs/dbraw/zinc/10/10/94/218101094.db2.gz IULATESQGGQKDI-UHFFFAOYSA-N 2 2 327.472 3.778 50 0 EHAALP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092072087 218114092 /nfs/dbraw/zinc/11/40/92/218114092.db2.gz BWNALXXYNASRDU-KRWDZBQOSA-N 2 2 335.455 3.592 50 0 EHAALP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092072087 218114095 /nfs/dbraw/zinc/11/40/95/218114095.db2.gz BWNALXXYNASRDU-KRWDZBQOSA-N 2 2 335.455 3.592 50 0 EHAALP COc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1OC(C)C ZINC000092648828 218155457 /nfs/dbraw/zinc/15/54/57/218155457.db2.gz WKUREGWEACOWOD-UHFFFAOYSA-N 2 2 329.444 3.516 50 0 EHAALP Cc1ccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000000207677 563260011 /nfs/dbraw/zinc/26/00/11/563260011.db2.gz AUSFMDDRBWEVRK-UHFFFAOYSA-N 2 2 349.522 3.782 50 0 EHAALP Cc1cccn2cc(-c3ccc(NC(=O)C[N@@H+](C)C(C)C)cc3)[nH+]c12 ZINC000058415863 563945422 /nfs/dbraw/zinc/94/54/22/563945422.db2.gz UVEDNCVOBNFQOT-UHFFFAOYSA-N 2 2 336.439 3.588 50 0 EHAALP Cc1cccn2cc(-c3ccc(NC(=O)C[N@H+](C)C(C)C)cc3)[nH+]c12 ZINC000058415863 563945423 /nfs/dbraw/zinc/94/54/23/563945423.db2.gz UVEDNCVOBNFQOT-UHFFFAOYSA-N 2 2 336.439 3.588 50 0 EHAALP COc1ccc(C[N@@H+]2CCCC[C@H]2CCc2[nH+]ccn2C)c(F)c1 ZINC000077540524 563970302 /nfs/dbraw/zinc/97/03/02/563970302.db2.gz MARAINZZCGTDEY-INIZCTEOSA-N 2 2 331.435 3.555 50 0 EHAALP COc1ccc(C[N@H+]2CCCC[C@H]2CCc2[nH+]ccn2C)c(F)c1 ZINC000077540524 563970303 /nfs/dbraw/zinc/97/03/03/563970303.db2.gz MARAINZZCGTDEY-INIZCTEOSA-N 2 2 331.435 3.555 50 0 EHAALP Cc1nc(N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)cc(C(C)C)[nH+]1 ZINC000082096408 563972156 /nfs/dbraw/zinc/97/21/56/563972156.db2.gz BHMMTASVBVGFJA-QGZVFWFLSA-N 2 2 339.487 3.899 50 0 EHAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3ncc(C(C)(C)C)o3)C2)c1 ZINC000097200775 563973252 /nfs/dbraw/zinc/97/32/52/563973252.db2.gz DAJZCBVPJQMXRR-HNNXBMFYSA-N 2 2 328.460 3.610 50 0 EHAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3ncc(C(C)(C)C)o3)C2)c1 ZINC000097200775 563973253 /nfs/dbraw/zinc/97/32/53/563973253.db2.gz DAJZCBVPJQMXRR-HNNXBMFYSA-N 2 2 328.460 3.610 50 0 EHAALP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000090667987 564085818 /nfs/dbraw/zinc/08/58/18/564085818.db2.gz KSXPNQOIEYQLMH-IAGOWNOFSA-N 2 2 339.483 3.966 50 0 EHAALP COc1ccc([C@@H]2[C@H](C[NH2+][C@H](C)c3ccc(F)cn3)CC[N@@H+]2C)cc1 ZINC000095983382 564143787 /nfs/dbraw/zinc/14/37/87/564143787.db2.gz UEJVSQZGWMLIJN-PTSWNOGYSA-N 2 2 343.446 3.573 50 0 EHAALP COc1ccc([C@@H]2[C@H](C[NH2+][C@H](C)c3ccc(F)cn3)CC[N@H+]2C)cc1 ZINC000095983382 564143788 /nfs/dbraw/zinc/14/37/88/564143788.db2.gz UEJVSQZGWMLIJN-PTSWNOGYSA-N 2 2 343.446 3.573 50 0 EHAALP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc2cc(Cl)ccc2o1 ZINC000095987836 564143979 /nfs/dbraw/zinc/14/39/79/564143979.db2.gz PLGWZWRMQMORKO-CYBMUJFWSA-N 2 2 336.863 3.584 50 0 EHAALP Cc1c[nH+]c([C@@H]2CC[N@H+](Cc3ccncc3)C2)n1Cc1ccccc1 ZINC000581816554 1132372740 /nfs/dbraw/zinc/37/27/40/1132372740.db2.gz ZFJPFRIEGGPMKD-HXUWFJFHSA-N 2 2 332.451 3.624 50 0 EHAALP Cc1c[nH+]c([C@@H]2CC[N@@H+](Cc3ccncc3)C2)n1Cc1ccccc1 ZINC000581816554 1132372748 /nfs/dbraw/zinc/37/27/48/1132372748.db2.gz ZFJPFRIEGGPMKD-HXUWFJFHSA-N 2 2 332.451 3.624 50 0 EHAALP Cc1ccc(C[N@@H+]2CC[C@H](Cn3c(C)c[nH+]c3-c3ccncc3)C2)o1 ZINC000581813629 1132376976 /nfs/dbraw/zinc/37/69/76/1132376976.db2.gz AEGILTFLJNQPOV-KRWDZBQOSA-N 2 2 336.439 3.677 50 0 EHAALP Cc1ccc(C[N@H+]2CC[C@H](Cn3c(C)c[nH+]c3-c3ccncc3)C2)o1 ZINC000581813629 1132376982 /nfs/dbraw/zinc/37/69/82/1132376982.db2.gz AEGILTFLJNQPOV-KRWDZBQOSA-N 2 2 336.439 3.677 50 0 EHAALP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)ccc1F ZINC000055053102 214268319 /nfs/dbraw/zinc/26/83/19/214268319.db2.gz PRYSEYZLDDKNAP-NRFANRHFSA-N 2 2 346.490 3.922 50 0 EHAALP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)ccc1F ZINC000055053102 214268322 /nfs/dbraw/zinc/26/83/22/214268322.db2.gz PRYSEYZLDDKNAP-NRFANRHFSA-N 2 2 346.490 3.922 50 0 EHAALP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)ccc1F ZINC000055053102 214268325 /nfs/dbraw/zinc/26/83/25/214268325.db2.gz PRYSEYZLDDKNAP-NRFANRHFSA-N 2 2 346.490 3.922 50 0 EHAALP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)ccc1F ZINC000055053102 214268328 /nfs/dbraw/zinc/26/83/28/214268328.db2.gz PRYSEYZLDDKNAP-NRFANRHFSA-N 2 2 346.490 3.922 50 0 EHAALP Cc1cc2oc(=O)cc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2cc1Cl ZINC000229820762 242204494 /nfs/dbraw/zinc/20/44/94/242204494.db2.gz OVMFTOXSPVHTNF-ZFWWWQNUSA-N 2 2 348.874 3.669 50 0 EHAALP Cc1cc2oc(=O)cc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2cc1Cl ZINC000229820762 242204497 /nfs/dbraw/zinc/20/44/97/242204497.db2.gz OVMFTOXSPVHTNF-ZFWWWQNUSA-N 2 2 348.874 3.669 50 0 EHAALP Cc1cc2oc(=O)cc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)c2cc1Cl ZINC000229820762 242204502 /nfs/dbraw/zinc/20/45/02/242204502.db2.gz OVMFTOXSPVHTNF-ZFWWWQNUSA-N 2 2 348.874 3.669 50 0 EHAALP Cc1cc2oc(=O)cc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)c2cc1Cl ZINC000229820762 242204506 /nfs/dbraw/zinc/20/45/06/242204506.db2.gz OVMFTOXSPVHTNF-ZFWWWQNUSA-N 2 2 348.874 3.669 50 0 EHAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(C3CCCCC3)no2)C1 ZINC000244816948 243085508 /nfs/dbraw/zinc/08/55/08/243085508.db2.gz SRQFRJOKQWKSEM-MRXNPFEDSA-N 2 2 328.460 3.835 50 0 EHAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(C3CCCCC3)no2)C1 ZINC000244816948 243085514 /nfs/dbraw/zinc/08/55/14/243085514.db2.gz SRQFRJOKQWKSEM-MRXNPFEDSA-N 2 2 328.460 3.835 50 0 EHAALP Cc1[nH]c(C[NH2+]Cc2cccnc2Oc2ccc(C)c(F)c2F)c[nH+]1 ZINC000012316766 211343565 /nfs/dbraw/zinc/34/35/65/211343565.db2.gz XCKZJLSJQQEERR-UHFFFAOYSA-N 2 2 344.365 3.782 50 0 EHAALP Cc1nnc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000338271971 257931450 /nfs/dbraw/zinc/93/14/50/257931450.db2.gz CAFNUFOHQLFTCI-GJZGRUSLSA-N 2 2 336.549 3.884 50 0 EHAALP Cc1nnc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000338271971 257931451 /nfs/dbraw/zinc/93/14/51/257931451.db2.gz CAFNUFOHQLFTCI-GJZGRUSLSA-N 2 2 336.549 3.884 50 0 EHAALP Cc1c[nH+]ccc1NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000122038669 222000898 /nfs/dbraw/zinc/00/08/98/222000898.db2.gz HVGZUQAUHKHKTN-MRXNPFEDSA-N 2 2 338.455 3.737 50 0 EHAALP CCCCc1nc(Cl)c(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)[nH]1 ZINC000215045897 535108951 /nfs/dbraw/zinc/10/89/51/535108951.db2.gz CGAZKTDIQFCGKK-CQSZACIVSA-N 2 2 335.883 3.514 50 0 EHAALP CCCCc1nc(Cl)c(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)[nH]1 ZINC000215045897 535108953 /nfs/dbraw/zinc/10/89/53/535108953.db2.gz CGAZKTDIQFCGKK-CQSZACIVSA-N 2 2 335.883 3.514 50 0 EHAALP Cc1ccc(NC(=O)[C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000024981941 563878876 /nfs/dbraw/zinc/87/88/76/563878876.db2.gz OOTJBACVKASPTR-FQEVSTJZSA-N 2 2 348.450 3.551 50 0 EHAALP Cc1ccc(NC(=O)[C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000024981948 563878896 /nfs/dbraw/zinc/87/88/96/563878896.db2.gz OOTJBACVKASPTR-HXUWFJFHSA-N 2 2 348.450 3.551 50 0 EHAALP COc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1SC ZINC000063914359 564083171 /nfs/dbraw/zinc/08/31/71/564083171.db2.gz AJBPUKDAGFXQTO-UHFFFAOYSA-N 2 2 343.496 3.571 50 0 EHAALP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000090667986 564085813 /nfs/dbraw/zinc/08/58/13/564085813.db2.gz KSXPNQOIEYQLMH-DLBZAZTESA-N 2 2 339.483 3.966 50 0 EHAALP C[NH+](C)CC[NH2+]CCCOc1ccc(Cl)cc1Cc1ccccc1 ZINC000020418857 212126828 /nfs/dbraw/zinc/12/68/28/212126828.db2.gz KIDMDDNSTDIQHJ-UHFFFAOYSA-N 2 2 346.902 3.851 50 0 EHAALP Cc1cccnc1C[N@@H+](C)[C@H]1CCC[NH+](Cc2ncccc2C)CC1 ZINC000093208431 218202844 /nfs/dbraw/zinc/20/28/44/218202844.db2.gz IYCKLPBCVJHUDV-IBGZPJMESA-N 2 2 338.499 3.580 50 0 EHAALP Cc1cccnc1C[N@H+](C)[C@H]1CCC[NH+](Cc2ncccc2C)CC1 ZINC000093208431 218202847 /nfs/dbraw/zinc/20/28/47/218202847.db2.gz IYCKLPBCVJHUDV-IBGZPJMESA-N 2 2 338.499 3.580 50 0 EHAALP Cc1cccnc1C[NH+](C)[C@H]1CCC[N@H+](Cc2ncccc2C)CC1 ZINC000093208431 218202850 /nfs/dbraw/zinc/20/28/50/218202850.db2.gz IYCKLPBCVJHUDV-IBGZPJMESA-N 2 2 338.499 3.580 50 0 EHAALP Cc1cccnc1C[NH+](C)[C@H]1CCC[N@@H+](Cc2ncccc2C)CC1 ZINC000093208431 218202853 /nfs/dbraw/zinc/20/28/53/218202853.db2.gz IYCKLPBCVJHUDV-IBGZPJMESA-N 2 2 338.499 3.580 50 0 EHAALP Cc1noc(C)c1C[N@@H+]1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095383217 218316074 /nfs/dbraw/zinc/31/60/74/218316074.db2.gz KLVKBIHENKDIFO-KRWDZBQOSA-N 2 2 328.460 3.668 50 0 EHAALP Cc1noc(C)c1C[N@H+]1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095383217 218316076 /nfs/dbraw/zinc/31/60/76/218316076.db2.gz KLVKBIHENKDIFO-KRWDZBQOSA-N 2 2 328.460 3.668 50 0 EHAALP COc1cccc(C[NH+]2CCC([NH+]3CCCCCC3)CC2)c1OC ZINC000000207655 563260098 /nfs/dbraw/zinc/26/00/98/563260098.db2.gz IAKOXWWDAONPLP-UHFFFAOYSA-N 2 2 332.488 3.544 50 0 EHAALP c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000077420146 563969522 /nfs/dbraw/zinc/96/95/22/563969522.db2.gz JTGGINWIMFCGGS-LJQANCHMSA-N 2 2 335.455 3.514 50 0 EHAALP c1cnn(CC[C@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000077420146 563969523 /nfs/dbraw/zinc/96/95/23/563969523.db2.gz JTGGINWIMFCGGS-LJQANCHMSA-N 2 2 335.455 3.514 50 0 EHAALP COCCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000091620829 563975540 /nfs/dbraw/zinc/97/55/40/563975540.db2.gz RCHRVJQRBDPCAV-CYBMUJFWSA-N 2 2 339.892 3.624 50 0 EHAALP COCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000091620829 563975541 /nfs/dbraw/zinc/97/55/41/563975541.db2.gz RCHRVJQRBDPCAV-CYBMUJFWSA-N 2 2 339.892 3.624 50 0 EHAALP C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189893968 564016564 /nfs/dbraw/zinc/01/65/64/564016564.db2.gz DMZQVTZIGSCWIF-OAHLLOKOSA-N 2 2 345.406 3.773 50 0 EHAALP c1ccc(CC[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000003683489 1037469671 /nfs/dbraw/zinc/46/96/71/1037469671.db2.gz GLUFGXXRIGUQGS-UHFFFAOYSA-N 2 2 349.522 3.516 50 0 EHAALP Cc1ccccc1N1CCC([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000825236163 1131259058 /nfs/dbraw/zinc/25/90/58/1131259058.db2.gz DKXWIMXDKUJBKK-FQEVSTJZSA-N 2 2 340.515 3.865 50 0 EHAALP CCNc1cc[nH+]c(N[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000072458364 216243663 /nfs/dbraw/zinc/24/36/63/216243663.db2.gz LHDUAGBPOOLITO-MRXNPFEDSA-N 2 2 345.878 3.638 50 0 EHAALP CCNc1cc[nH+]c(N[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000072458364 216243668 /nfs/dbraw/zinc/24/36/68/216243668.db2.gz LHDUAGBPOOLITO-MRXNPFEDSA-N 2 2 345.878 3.638 50 0 EHAALP Cc1[nH+]ccn1Cc1ccc(Br)cc1Cn1cc[nH+]c1C ZINC000191928330 239386124 /nfs/dbraw/zinc/38/61/24/239386124.db2.gz MYPWADBGAIDTCT-UHFFFAOYSA-N 2 2 345.244 3.556 50 0 EHAALP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092072089 218114341 /nfs/dbraw/zinc/11/43/41/218114341.db2.gz BWNALXXYNASRDU-QGZVFWFLSA-N 2 2 335.455 3.592 50 0 EHAALP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092072089 218114344 /nfs/dbraw/zinc/11/43/44/218114344.db2.gz BWNALXXYNASRDU-QGZVFWFLSA-N 2 2 335.455 3.592 50 0 EHAALP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(OC)c1 ZINC000095420792 218361996 /nfs/dbraw/zinc/36/19/96/218361996.db2.gz UHKTYYBHBMWSJD-OAHLLOKOSA-N 2 2 337.423 3.740 50 0 EHAALP Cc1c(C)n(CCC[NH+](C)C)c2nc[nH+]c(Nc3ccc(F)cc3)c12 ZINC000005352040 210447099 /nfs/dbraw/zinc/44/70/99/210447099.db2.gz KGIZGIGBFBFYNV-UHFFFAOYSA-N 2 2 341.434 3.883 50 0 EHAALP CCc1[nH]c(C)c(-c2nccn2CC2CC[NH+](C3CCCC3)CC2)[nH+]1 ZINC000071763471 563965438 /nfs/dbraw/zinc/96/54/38/563965438.db2.gz VWQWMPRGFMDPOL-UHFFFAOYSA-N 2 2 341.503 3.799 50 0 EHAALP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3nc4ccccc4o3)C2)CC1 ZINC000084699933 564069715 /nfs/dbraw/zinc/06/97/15/564069715.db2.gz RYLCKQNJOTXJON-QGZVFWFLSA-N 2 2 327.472 3.772 50 0 EHAALP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3nc4ccccc4o3)C2)CC1 ZINC000084699933 564069716 /nfs/dbraw/zinc/06/97/16/564069716.db2.gz RYLCKQNJOTXJON-QGZVFWFLSA-N 2 2 327.472 3.772 50 0 EHAALP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2ccco2)CCOCC1)c1ccccc1 ZINC000095422921 564140143 /nfs/dbraw/zinc/14/01/43/564140143.db2.gz FLBLNEYTWAWAHN-SJORKVTESA-N 2 2 328.456 3.830 50 0 EHAALP Cc1oc(-c2ccco2)nc1C[NH+](C)C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000067954385 215258894 /nfs/dbraw/zinc/25/88/94/215258894.db2.gz IPDBDDRENLDHFN-MRXNPFEDSA-N 2 2 331.460 3.795 50 0 EHAALP Cc1oc(-c2ccco2)nc1C[NH+](C)C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000067954385 215258897 /nfs/dbraw/zinc/25/88/97/215258897.db2.gz IPDBDDRENLDHFN-MRXNPFEDSA-N 2 2 331.460 3.795 50 0 EHAALP Cc1oc(-c2ccco2)nc1C[N@@H+](C)C[C@H]1CCC[NH+](C(C)C)C1 ZINC000067954385 215258899 /nfs/dbraw/zinc/25/88/99/215258899.db2.gz IPDBDDRENLDHFN-MRXNPFEDSA-N 2 2 331.460 3.795 50 0 EHAALP Cc1oc(-c2ccco2)nc1C[N@H+](C)C[C@H]1CCC[NH+](C(C)C)C1 ZINC000067954385 215258901 /nfs/dbraw/zinc/25/89/01/215258901.db2.gz IPDBDDRENLDHFN-MRXNPFEDSA-N 2 2 331.460 3.795 50 0 EHAALP C[NH+](C)CC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2cccs2)nc1 ZINC000072425786 216216465 /nfs/dbraw/zinc/21/64/65/216216465.db2.gz AUGCQIVGIUJEOM-INIZCTEOSA-N 2 2 330.501 3.511 50 0 EHAALP C[NH+](C)CC[C@@H]1CCCC[N@H+]1Cc1cnc(-c2cccs2)nc1 ZINC000072425786 216216466 /nfs/dbraw/zinc/21/64/66/216216466.db2.gz AUGCQIVGIUJEOM-INIZCTEOSA-N 2 2 330.501 3.511 50 0 EHAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nc(C(C)C)no2)C1 ZINC000095388685 218320771 /nfs/dbraw/zinc/32/07/71/218320771.db2.gz PLALPZYRLCWTGM-HNNXBMFYSA-N 2 2 331.464 3.569 50 0 EHAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC000095388685 218320773 /nfs/dbraw/zinc/32/07/73/218320773.db2.gz PLALPZYRLCWTGM-HNNXBMFYSA-N 2 2 331.464 3.569 50 0 EHAALP C[C@@H](C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000187774731 534053859 /nfs/dbraw/zinc/05/38/59/534053859.db2.gz JLFBFWVSSDOCKK-INIZCTEOSA-N 3 2 349.950 3.592 50 0 EHAALP CC(=O)Nc1ccc(C[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000057996902 563936411 /nfs/dbraw/zinc/93/64/11/563936411.db2.gz AWHLEOHRGNASLV-SFHVURJKSA-N 2 2 343.496 3.633 50 0 EHAALP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c1 ZINC000077454165 563969703 /nfs/dbraw/zinc/96/97/03/563969703.db2.gz CGQJZNDDLJLMSQ-LJQANCHMSA-N 2 2 338.430 3.540 50 0 EHAALP [NH3+]CCc1cccc(C[N@H+]2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c1 ZINC000077454165 563969704 /nfs/dbraw/zinc/96/97/04/563969704.db2.gz CGQJZNDDLJLMSQ-LJQANCHMSA-N 2 2 338.430 3.540 50 0 EHAALP CCCc1c[nH+]c(C)nc1N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082137464 563972613 /nfs/dbraw/zinc/97/26/13/563972613.db2.gz WBOPXLLLTXFBEO-GOSISDBHSA-N 2 2 339.487 3.728 50 0 EHAALP COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000006648802 564095308 /nfs/dbraw/zinc/09/53/08/564095308.db2.gz BQJQAROIJRUFGV-CQSZACIVSA-N 2 2 325.387 3.871 50 0 EHAALP C[C@@H](C[NH2+]C1CCC(O)(c2cccc(Cl)c2)CC1)Cn1cc[nH+]c1 ZINC000170081756 564105364 /nfs/dbraw/zinc/10/53/64/564105364.db2.gz DGONOUVGASOPPI-MNNVXMFVSA-N 2 2 347.890 3.593 50 0 EHAALP C[C@H](CCc1cccn1C)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000095968616 564143184 /nfs/dbraw/zinc/14/31/84/564143184.db2.gz MQPAAUFQRLSRCG-HBFSDRIKSA-N 2 2 325.500 3.771 50 0 EHAALP C[C@H](CCc1cccn1C)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000095968616 564143185 /nfs/dbraw/zinc/14/31/85/564143185.db2.gz MQPAAUFQRLSRCG-HBFSDRIKSA-N 2 2 325.500 3.771 50 0 EHAALP CCc1noc(CC)c1C[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000095969150 564143335 /nfs/dbraw/zinc/14/33/35/564143335.db2.gz MIKCQJMNJRWPPG-UHFFFAOYSA-N 2 2 345.462 3.693 50 0 EHAALP Cc1ccccc1N1CCC([NH+]2CCC(Cn3cc[nH+]c3)CC2)CC1 ZINC000670469764 564163586 /nfs/dbraw/zinc/16/35/86/564163586.db2.gz FTVCGIFBEQWZBP-UHFFFAOYSA-N 2 2 338.499 3.573 50 0 EHAALP Cc1ccsc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000055109121 214275423 /nfs/dbraw/zinc/27/54/23/214275423.db2.gz NOVQHNKXJJYJSH-UHFFFAOYSA-N 2 2 326.469 3.741 50 0 EHAALP Cc1ccsc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000055109121 214275427 /nfs/dbraw/zinc/27/54/27/214275427.db2.gz NOVQHNKXJJYJSH-UHFFFAOYSA-N 2 2 326.469 3.741 50 0 EHAALP C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1C[NH+]1CCCC1 ZINC000216104619 536456398 /nfs/dbraw/zinc/45/63/98/536456398.db2.gz VNNKANAHIAXOPG-UHFFFAOYSA-N 2 2 340.515 3.935 50 0 EHAALP C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1C[NH+]1CCCC1 ZINC000216104619 536456400 /nfs/dbraw/zinc/45/64/00/536456400.db2.gz VNNKANAHIAXOPG-UHFFFAOYSA-N 2 2 340.515 3.935 50 0 EHAALP COc1ccc(OC)c(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000025356156 563883754 /nfs/dbraw/zinc/88/37/54/563883754.db2.gz NVFZKESOVFLUPR-HNNXBMFYSA-N 2 2 337.423 3.740 50 0 EHAALP C[C@H](c1[nH+]ccn1CCCOC1CC[NH+](C)CC1)c1ccccc1 ZINC000077454904 563969772 /nfs/dbraw/zinc/96/97/72/563969772.db2.gz GXWDQZVJFZJBHX-KRWDZBQOSA-N 2 2 327.472 3.536 50 0 EHAALP COc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082135327 563972628 /nfs/dbraw/zinc/97/26/28/563972628.db2.gz SEHRQODLLBSTQD-SFHVURJKSA-N 2 2 325.456 3.681 50 0 EHAALP COc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082135327 563972629 /nfs/dbraw/zinc/97/26/29/563972629.db2.gz SEHRQODLLBSTQD-SFHVURJKSA-N 2 2 325.456 3.681 50 0 EHAALP CC(C)c1nc(CN(C)c2ccc(Cn3cc[nH+]c3)c[nH+]2)cs1 ZINC000082157432 563972791 /nfs/dbraw/zinc/97/27/91/563972791.db2.gz ACSXZZVOUXMIKS-UHFFFAOYSA-N 2 2 327.457 3.543 50 0 EHAALP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000069710552 564089187 /nfs/dbraw/zinc/08/91/87/564089187.db2.gz HVUMMDMWXAMGAS-UHFFFAOYSA-N 2 2 349.400 3.855 50 0 EHAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000090003689 564116133 /nfs/dbraw/zinc/11/61/33/564116133.db2.gz ULAROOMXJAOPOF-CQSZACIVSA-N 2 2 342.468 3.591 50 0 EHAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000090003689 564116134 /nfs/dbraw/zinc/11/61/34/564116134.db2.gz ULAROOMXJAOPOF-CQSZACIVSA-N 2 2 342.468 3.591 50 0 EHAALP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(-n2cccn2)c1 ZINC000095968781 564143270 /nfs/dbraw/zinc/14/32/70/564143270.db2.gz NSVVRVFFNNNXGI-KRWDZBQOSA-N 2 2 347.466 3.587 50 0 EHAALP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cscn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245289929 564168997 /nfs/dbraw/zinc/16/89/97/564168997.db2.gz GCNBJVGWDQVHRK-BLLLJJGKSA-N 2 2 339.867 3.718 50 0 EHAALP C[N@H+]1CC[C@@H](C[NH2+]Cc2cscn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245289929 564168998 /nfs/dbraw/zinc/16/89/98/564168998.db2.gz GCNBJVGWDQVHRK-BLLLJJGKSA-N 2 2 339.867 3.718 50 0 EHAALP c1ccc([C@@H](CC2CCC2)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655753398 1017536207 /nfs/dbraw/zinc/53/62/07/1017536207.db2.gz ZYVZNIQVAKXAAF-NHCUHLMSSA-N 2 2 328.500 3.761 50 0 EHAALP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000080960532 217343973 /nfs/dbraw/zinc/34/39/73/217343973.db2.gz SJPPVDJSRIFZNX-GJZGRUSLSA-N 2 2 337.427 3.709 50 0 EHAALP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000080960532 217343977 /nfs/dbraw/zinc/34/39/77/217343977.db2.gz SJPPVDJSRIFZNX-GJZGRUSLSA-N 2 2 337.427 3.709 50 0 EHAALP C(=C/C[N@@H+]1CCc2sccc2C1)\C[NH+]1CCc2sccc2C1 ZINC000095356838 218290774 /nfs/dbraw/zinc/29/07/74/218290774.db2.gz XYLADRIERMMLMQ-OWOJBTEDSA-N 2 2 330.522 3.782 50 0 EHAALP C(=C/C[N@H+]1CCc2sccc2C1)\C[NH+]1CCc2sccc2C1 ZINC000095356838 218290777 /nfs/dbraw/zinc/29/07/77/218290777.db2.gz XYLADRIERMMLMQ-OWOJBTEDSA-N 2 2 330.522 3.782 50 0 EHAALP CC(C)c1noc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)n1 ZINC000095366386 218299353 /nfs/dbraw/zinc/29/93/53/218299353.db2.gz FLVMADNEUVFVDV-MRXNPFEDSA-N 2 2 343.475 3.569 50 0 EHAALP CC(C)c1noc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)n1 ZINC000095366386 218299355 /nfs/dbraw/zinc/29/93/55/218299355.db2.gz FLVMADNEUVFVDV-MRXNPFEDSA-N 2 2 343.475 3.569 50 0 EHAALP c1cn(-c2cc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)ccn2)c[nH+]1 ZINC000095421121 218363357 /nfs/dbraw/zinc/36/33/57/218363357.db2.gz KIPYHSUSUWYNRU-GOSISDBHSA-N 2 2 346.434 3.803 50 0 EHAALP Cc1ccc(CNc2ccccc2C[NH+]2CCC(CO)CC2)c(C)[nH+]1 ZINC000184432057 534092606 /nfs/dbraw/zinc/09/26/06/534092606.db2.gz SSJVBYOTMGDGQN-UHFFFAOYSA-N 2 2 339.483 3.515 50 0 EHAALP C[C@@H]1CCC[C@H]([NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)C1 ZINC000004712149 563508884 /nfs/dbraw/zinc/50/88/84/563508884.db2.gz SVKBQAXMGBRMLF-KNQAVFIVSA-N 2 2 341.543 3.852 50 0 EHAALP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2c2ccccc2)CCO1 ZINC000434009228 563866465 /nfs/dbraw/zinc/86/64/65/563866465.db2.gz WGZSAKBIWLMRRS-JKBKZWBZSA-N 2 2 339.483 3.956 50 0 EHAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](C2CCCCCCC2)CC1 ZINC000077419799 563969509 /nfs/dbraw/zinc/96/95/09/563969509.db2.gz FBTJRNVVMMSOEA-UHFFFAOYSA-N 2 2 347.551 3.652 50 0 EHAALP Cc1[nH+]c2ccccn2c1CN(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000095509206 563977229 /nfs/dbraw/zinc/97/72/29/563977229.db2.gz VTODOTUJRUSDJS-UHFFFAOYSA-N 2 2 337.427 3.627 50 0 EHAALP Cc1nnc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)s1 ZINC000338271970 564065313 /nfs/dbraw/zinc/06/53/13/564065313.db2.gz CAFNUFOHQLFTCI-CABCVRRESA-N 2 2 336.549 3.884 50 0 EHAALP Cc1nnc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC000338271970 564065314 /nfs/dbraw/zinc/06/53/14/564065314.db2.gz CAFNUFOHQLFTCI-CABCVRRESA-N 2 2 336.549 3.884 50 0 EHAALP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(-n2cccn2)c1 ZINC000095968782 564143280 /nfs/dbraw/zinc/14/32/80/564143280.db2.gz NSVVRVFFNNNXGI-QGZVFWFLSA-N 2 2 347.466 3.587 50 0 EHAALP CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000039279942 213232974 /nfs/dbraw/zinc/23/29/74/213232974.db2.gz IKXRYRDZRMVKTC-UHFFFAOYSA-N 2 2 328.243 3.769 50 0 EHAALP Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000215830045 241150233 /nfs/dbraw/zinc/15/02/33/241150233.db2.gz BFVMJXCCSYMPKN-QGZVFWFLSA-N 2 2 349.482 3.807 50 0 EHAALP Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000215830045 241150241 /nfs/dbraw/zinc/15/02/41/241150241.db2.gz BFVMJXCCSYMPKN-QGZVFWFLSA-N 2 2 349.482 3.807 50 0 EHAALP Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000080960530 217344426 /nfs/dbraw/zinc/34/44/26/217344426.db2.gz SJPPVDJSRIFZNX-CABCVRRESA-N 2 2 337.427 3.709 50 0 EHAALP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000080960530 217344430 /nfs/dbraw/zinc/34/44/30/217344430.db2.gz SJPPVDJSRIFZNX-CABCVRRESA-N 2 2 337.427 3.709 50 0 EHAALP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648537 218155739 /nfs/dbraw/zinc/15/57/39/218155739.db2.gz FCUCBAABKLJSDB-UHFFFAOYSA-N 2 2 335.455 3.523 50 0 EHAALP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095383218 218315575 /nfs/dbraw/zinc/31/55/75/218315575.db2.gz KLVKBIHENKDIFO-QGZVFWFLSA-N 2 2 328.460 3.668 50 0 EHAALP Cc1noc(C)c1C[N@H+]1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095383218 218315578 /nfs/dbraw/zinc/31/55/78/218315578.db2.gz KLVKBIHENKDIFO-QGZVFWFLSA-N 2 2 328.460 3.668 50 0 EHAALP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000095420148 218361045 /nfs/dbraw/zinc/36/10/45/218361045.db2.gz CSIIXBDSCOYFDY-MRXNPFEDSA-N 2 2 348.450 3.741 50 0 EHAALP CCc1[nH]c(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c(C)[nH+]1 ZINC000065375193 563958723 /nfs/dbraw/zinc/95/87/23/563958723.db2.gz HNSFQRVKDBZTNP-PZJWPPBQSA-N 2 2 349.478 3.784 50 0 EHAALP CCc1[nH]c(C[N@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c(C)[nH+]1 ZINC000065375193 563958724 /nfs/dbraw/zinc/95/87/24/563958724.db2.gz HNSFQRVKDBZTNP-PZJWPPBQSA-N 2 2 349.478 3.784 50 0 EHAALP CCCCc1c(-c2ccccc2)[nH+]cn1CC[N@@H+]1CCC[C@H](CO)C1 ZINC000065509005 563961792 /nfs/dbraw/zinc/96/17/92/563961792.db2.gz MQYNNNBPNFZQDJ-SFHVURJKSA-N 2 2 341.499 3.597 50 0 EHAALP CCCCc1c(-c2ccccc2)[nH+]cn1CC[N@H+]1CCC[C@H](CO)C1 ZINC000065509005 563961793 /nfs/dbraw/zinc/96/17/93/563961793.db2.gz MQYNNNBPNFZQDJ-SFHVURJKSA-N 2 2 341.499 3.597 50 0 EHAALP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Cc1cccs1 ZINC000097017125 563966801 /nfs/dbraw/zinc/96/68/01/563966801.db2.gz CZVJSCKEANEKML-QKLQHJQFSA-N 2 2 343.540 3.822 50 0 EHAALP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Cc1cccs1 ZINC000097017125 563966802 /nfs/dbraw/zinc/96/68/02/563966802.db2.gz CZVJSCKEANEKML-QKLQHJQFSA-N 2 2 343.540 3.822 50 0 EHAALP COc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082135329 563972603 /nfs/dbraw/zinc/97/26/03/563972603.db2.gz SEHRQODLLBSTQD-GOSISDBHSA-N 2 2 325.456 3.681 50 0 EHAALP COc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082135329 563972604 /nfs/dbraw/zinc/97/26/04/563972604.db2.gz SEHRQODLLBSTQD-GOSISDBHSA-N 2 2 325.456 3.681 50 0 EHAALP CCc1cnc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)s1 ZINC000561985700 564073028 /nfs/dbraw/zinc/07/30/28/564073028.db2.gz IICMWBCGUBZFLP-PKOBYXMFSA-N 2 2 338.480 3.920 50 0 EHAALP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000170616903 564110059 /nfs/dbraw/zinc/11/00/59/564110059.db2.gz GVTNLEHKSHDTKK-ZQIUZPCESA-N 2 2 326.444 3.572 50 0 EHAALP Cc1cc(C)c(NC(=O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000057681746 564155440 /nfs/dbraw/zinc/15/54/40/564155440.db2.gz ASTLXRSCHJPJHS-UHFFFAOYSA-N 2 2 348.450 3.526 50 0 EHAALP c1cn(-c2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2)c[nH+]1 ZINC000058165459 564157887 /nfs/dbraw/zinc/15/78/87/564157887.db2.gz UNOWLLSYENJEQR-UHFFFAOYSA-N 3 2 346.478 3.627 50 0 EHAALP Cc1cccc(-c2ncc(C[NH+]3CCC(Cn4cc[nH+]c4)CC3)cn2)c1 ZINC000097756535 219054563 /nfs/dbraw/zinc/05/45/63/219054563.db2.gz NBAPOWRDKIPUNW-UHFFFAOYSA-N 2 2 347.466 3.561 50 0 EHAALP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091405539 218001568 /nfs/dbraw/zinc/00/15/68/218001568.db2.gz DXICFLOYPFTVOC-ZDUSSCGKSA-N 2 2 328.847 3.823 50 0 EHAALP Cc1ncsc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095360890 218293981 /nfs/dbraw/zinc/29/39/81/218293981.db2.gz BCEMJHDFBHCPKJ-MRXNPFEDSA-N 2 2 330.501 3.828 50 0 EHAALP Cc1ncsc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095360890 218293985 /nfs/dbraw/zinc/29/39/85/218293985.db2.gz BCEMJHDFBHCPKJ-MRXNPFEDSA-N 2 2 330.501 3.828 50 0 EHAALP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000097159565 218977344 /nfs/dbraw/zinc/97/73/44/218977344.db2.gz NCRXHXLEZSSEPR-UHFFFAOYSA-N 2 2 347.422 3.513 50 0 EHAALP COc1ccc(-c2[nH+]ccn2Cc2ccccn2)cc1C[NH+]1CCCC1 ZINC000067725217 563962589 /nfs/dbraw/zinc/96/25/89/563962589.db2.gz KAILMMXBSWMJMI-UHFFFAOYSA-N 2 2 348.450 3.598 50 0 EHAALP Cc1cccc(C[NH+]2CCC([NH2+][C@H](C)c3cnc(C)nc3C)CC2)c1 ZINC000097016543 563966719 /nfs/dbraw/zinc/96/67/19/563966719.db2.gz CIKVDICTDNEJSQ-QGZVFWFLSA-N 2 2 338.499 3.717 50 0 EHAALP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1nc2cc(C)ccc2[nH]1 ZINC000077286480 563968664 /nfs/dbraw/zinc/96/86/64/563968664.db2.gz KTCPAVVMEOZIIM-KRWDZBQOSA-N 2 2 337.471 3.821 50 0 EHAALP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1nc2cc(C)ccc2[nH]1 ZINC000077286480 563968665 /nfs/dbraw/zinc/96/86/65/563968665.db2.gz KTCPAVVMEOZIIM-KRWDZBQOSA-N 2 2 337.471 3.821 50 0 EHAALP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1nc2ccc(C)cc2[nH]1 ZINC000077286480 563968666 /nfs/dbraw/zinc/96/86/66/563968666.db2.gz KTCPAVVMEOZIIM-KRWDZBQOSA-N 2 2 337.471 3.821 50 0 EHAALP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1nc2ccc(C)cc2[nH]1 ZINC000077286480 563968667 /nfs/dbraw/zinc/96/86/67/563968667.db2.gz KTCPAVVMEOZIIM-KRWDZBQOSA-N 2 2 337.471 3.821 50 0 EHAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000077378093 563969292 /nfs/dbraw/zinc/96/92/92/563969292.db2.gz KFLNSVUSVVVLRZ-LJQANCHMSA-N 2 2 349.482 3.593 50 0 EHAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000077378093 563969293 /nfs/dbraw/zinc/96/92/93/563969293.db2.gz KFLNSVUSVVVLRZ-LJQANCHMSA-N 2 2 349.482 3.593 50 0 EHAALP c1ccc(NC[C@@H]2CC[N@@H+](CCCc3nc4ccccc4o3)C2)[nH+]c1 ZINC000065466342 563998205 /nfs/dbraw/zinc/99/82/05/563998205.db2.gz ZUSWUSLUCODNNH-INIZCTEOSA-N 2 2 336.439 3.589 50 0 EHAALP c1ccc(NC[C@@H]2CC[N@H+](CCCc3nc4ccccc4o3)C2)[nH+]c1 ZINC000065466342 563998206 /nfs/dbraw/zinc/99/82/06/563998206.db2.gz ZUSWUSLUCODNNH-INIZCTEOSA-N 2 2 336.439 3.589 50 0 EHAALP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000090667444 564085821 /nfs/dbraw/zinc/08/58/21/564085821.db2.gz RAXBHTJREDDUTB-QAPCUYQASA-N 2 2 331.504 3.543 50 0 EHAALP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc([C@H]3CCCCO3)o2)CC1 ZINC000097717428 219050721 /nfs/dbraw/zinc/05/07/21/219050721.db2.gz KLFZAEYRMXEVSH-LJQANCHMSA-N 2 2 341.455 3.547 50 0 EHAALP CCCn1c(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)nc2ccccc21 ZINC000095402062 218336121 /nfs/dbraw/zinc/33/61/21/218336121.db2.gz DWEZRPYRJSSXKN-MRXNPFEDSA-N 2 2 337.471 3.618 50 0 EHAALP CCCCCCOc1cccc(C[N@H+](CCO)C2CC[NH+](C)CC2)c1 ZINC000095430359 218372652 /nfs/dbraw/zinc/37/26/52/218372652.db2.gz LXLKKKWMGJIPJP-UHFFFAOYSA-N 2 2 348.531 3.534 50 0 EHAALP CCCCCCOc1cccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)c1 ZINC000095430359 218372654 /nfs/dbraw/zinc/37/26/54/218372654.db2.gz LXLKKKWMGJIPJP-UHFFFAOYSA-N 2 2 348.531 3.534 50 0 EHAALP CSc1cc(C)ccc1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000095969303 218474770 /nfs/dbraw/zinc/47/47/70/218474770.db2.gz PCBGNZWPKYYLFA-UHFFFAOYSA-N 2 2 341.524 3.866 50 0 EHAALP CC[N@H+](Cc1ccccc1)C1CC[NH+](C[C@@H]2CCC[NH+](CC)C2)CC1 ZINC000032523796 563913895 /nfs/dbraw/zinc/91/38/95/563913895.db2.gz FRSCUQNEBUANQX-OAQYLSRUSA-N 3 2 343.559 3.705 50 0 EHAALP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@@H]2CCC[NH+](CC)C2)CC1 ZINC000032523796 563913896 /nfs/dbraw/zinc/91/38/96/563913896.db2.gz FRSCUQNEBUANQX-OAQYLSRUSA-N 3 2 343.559 3.705 50 0 EHAALP CC[NH+](Cc1ccccc1)C1CC[NH+](C[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000032523796 563913897 /nfs/dbraw/zinc/91/38/97/563913897.db2.gz FRSCUQNEBUANQX-OAQYLSRUSA-N 3 2 343.559 3.705 50 0 EHAALP CC[NH+](Cc1ccccc1)C1CC[NH+](C[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000032523796 563913898 /nfs/dbraw/zinc/91/38/98/563913898.db2.gz FRSCUQNEBUANQX-OAQYLSRUSA-N 3 2 343.559 3.705 50 0 EHAALP Cc1nc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)co1 ZINC000082161370 563972817 /nfs/dbraw/zinc/97/28/17/563972817.db2.gz MRSHGDJUAQUFNF-GOSISDBHSA-N 2 2 336.439 3.607 50 0 EHAALP Cc1nc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)co1 ZINC000082161370 563972818 /nfs/dbraw/zinc/97/28/18/563972818.db2.gz MRSHGDJUAQUFNF-GOSISDBHSA-N 2 2 336.439 3.607 50 0 EHAALP COc1ccc(F)cc1[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000237177314 563989078 /nfs/dbraw/zinc/98/90/78/563989078.db2.gz MYLWTRDIBZUQIV-CQSZACIVSA-N 2 2 329.419 3.549 50 0 EHAALP Cc1c[nH+]c(-c2ccncc2)n1C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000575547472 1131572689 /nfs/dbraw/zinc/57/26/89/1131572689.db2.gz DTCNKPQDMZXKBD-IBGZPJMESA-N 2 2 347.466 3.561 50 0 EHAALP Cc1c[nH+]c(-c2ccncc2)n1C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000575547472 1131572691 /nfs/dbraw/zinc/57/26/91/1131572691.db2.gz DTCNKPQDMZXKBD-IBGZPJMESA-N 2 2 347.466 3.561 50 0 EHAALP Cc1cc2[nH+]cn(CC3CC[NH+](Cc4ccccn4)CC3)c2cc1C ZINC000038488548 213210235 /nfs/dbraw/zinc/21/02/35/213210235.db2.gz LGUVIODFBLYELM-UHFFFAOYSA-N 2 2 334.467 3.960 50 0 EHAALP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(OC)c1 ZINC000095420307 218361075 /nfs/dbraw/zinc/36/10/75/218361075.db2.gz WKPIWPQPUHEWHV-LJQANCHMSA-N 2 2 325.456 3.800 50 0 EHAALP Fc1ccc([C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C2CC2)cc1 ZINC000095422190 218364303 /nfs/dbraw/zinc/36/43/03/218364303.db2.gz UNCNGUSVVOBZHH-NRFANRHFSA-N 2 2 339.458 3.926 50 0 EHAALP Cc1noc([C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C(C)C)n1 ZINC000168005399 226206018 /nfs/dbraw/zinc/20/60/18/226206018.db2.gz BDXDAQLGZZDSMX-SCLBCKFNSA-N 2 2 339.443 3.920 50 0 EHAALP Nc1ccc2[nH]c(-c3ccc(-c4[nH]c5ccc(N)cc5[nH+]4)cc3)[nH+]c2c1 ZINC000000353719 563290458 /nfs/dbraw/zinc/29/04/58/563290458.db2.gz FNXKJDLRBKWHFS-UHFFFAOYSA-N 2 2 340.390 3.938 50 0 EHAALP CC(C)[N@@H+]1CCC[C@@H](Cn2ccnc2-c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000071761542 563965395 /nfs/dbraw/zinc/96/53/95/563965395.db2.gz IWCXJCPERKYZGY-GOSISDBHSA-N 2 2 349.482 3.856 50 0 EHAALP CC(C)[N@H+]1CCC[C@@H](Cn2ccnc2-c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000071761542 563965396 /nfs/dbraw/zinc/96/53/96/563965396.db2.gz IWCXJCPERKYZGY-GOSISDBHSA-N 2 2 349.482 3.856 50 0 EHAALP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000221818178 564084267 /nfs/dbraw/zinc/08/42/67/564084267.db2.gz SJPPVDJSRIFZNX-LSDHHAIUSA-N 2 2 337.427 3.709 50 0 EHAALP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000221818178 564084268 /nfs/dbraw/zinc/08/42/68/564084268.db2.gz SJPPVDJSRIFZNX-LSDHHAIUSA-N 2 2 337.427 3.709 50 0 EHAALP Cc1ccc(C(=O)c2c[nH+]c3ccccc3c2N2CC[NH+](C)CC2)cc1 ZINC000006820085 564098794 /nfs/dbraw/zinc/09/87/94/564098794.db2.gz VQSGMCGQVBXIQN-UHFFFAOYSA-N 2 2 345.446 3.526 50 0 EHAALP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC000089735571 564113476 /nfs/dbraw/zinc/11/34/76/564113476.db2.gz ZFRHDDISEZHUNT-GOSISDBHSA-N 2 2 338.480 3.980 50 0 EHAALP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC000089735571 564113477 /nfs/dbraw/zinc/11/34/77/564113477.db2.gz ZFRHDDISEZHUNT-GOSISDBHSA-N 2 2 338.480 3.980 50 0 EHAALP COc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCc4[nH+]c(C)cn4C3)oc21 ZINC000095987868 564144039 /nfs/dbraw/zinc/14/40/39/564144039.db2.gz XQOOCYCCSFKVOK-UKRRQHHQSA-N 2 2 325.412 3.612 50 0 EHAALP CC(C)=CCC[N@@H+]1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095371282 218303797 /nfs/dbraw/zinc/30/37/97/218303797.db2.gz RLXHDAHVNKWOOR-INIZCTEOSA-N 2 2 330.501 3.924 50 0 EHAALP CC(C)=CCC[N@H+]1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095371282 218303799 /nfs/dbraw/zinc/30/37/99/218303799.db2.gz RLXHDAHVNKWOOR-INIZCTEOSA-N 2 2 330.501 3.924 50 0 EHAALP FC(F)C(F)(F)CC[N@@H+]1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082120084 563972433 /nfs/dbraw/zinc/97/24/33/563972433.db2.gz XQNZDTZBWLVYCG-ZDUSSCGKSA-N 2 2 333.373 3.763 50 0 EHAALP FC(F)C(F)(F)CC[N@H+]1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082120084 563972434 /nfs/dbraw/zinc/97/24/34/563972434.db2.gz XQNZDTZBWLVYCG-ZDUSSCGKSA-N 2 2 333.373 3.763 50 0 EHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000048782267 564032190 /nfs/dbraw/zinc/03/21/90/564032190.db2.gz KKUMXKSLERHLRC-UHFFFAOYSA-N 2 2 346.356 3.884 50 0 EHAALP COc1ccc(Cl)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000048782580 564032286 /nfs/dbraw/zinc/03/22/86/564032286.db2.gz HKLFEWDIJVSSRO-UHFFFAOYSA-N 2 2 342.830 3.528 50 0 EHAALP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3n2C)cc1 ZINC000084291002 564067666 /nfs/dbraw/zinc/06/76/66/564067666.db2.gz FIYKUNPENLONRE-OAHLLOKOSA-N 2 2 345.450 3.918 50 0 EHAALP C[C@H](Cc1ccsc1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667681 564085853 /nfs/dbraw/zinc/08/58/53/564085853.db2.gz CQIMUYSRYCMGAF-CVEARBPZSA-N 2 2 329.513 3.889 50 0 EHAALP Cc1cccn2c(C[NH2+][C@H]3CCCc4c3cnn4C(C)(C)C)c[nH+]c12 ZINC000076042781 564114725 /nfs/dbraw/zinc/11/47/25/564114725.db2.gz DCRCSDHLGXXYDG-KRWDZBQOSA-N 2 2 337.471 3.761 50 0 EHAALP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCSc1ccccc1 ZINC000252486166 564119301 /nfs/dbraw/zinc/11/93/01/564119301.db2.gz GFDXIFPRYFCMGT-FXAWDEMLSA-N 2 2 341.524 3.674 50 0 EHAALP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCSc1ccccc1 ZINC000252486166 564119302 /nfs/dbraw/zinc/11/93/02/564119302.db2.gz GFDXIFPRYFCMGT-FXAWDEMLSA-N 2 2 341.524 3.674 50 0 EHAALP CCCCc1nc(C2([NH+]3CCCC3)CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000670469509 564163336 /nfs/dbraw/zinc/16/33/36/564163336.db2.gz IPRBJNPTMJXZRF-UHFFFAOYSA-N 2 2 339.487 3.870 50 0 EHAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000245316714 564169039 /nfs/dbraw/zinc/16/90/39/564169039.db2.gz KGEIHHUWMJPNNI-WBAXXEDZSA-N 3 2 342.462 3.597 50 0 EHAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000245316714 564169040 /nfs/dbraw/zinc/16/90/40/564169040.db2.gz KGEIHHUWMJPNNI-WBAXXEDZSA-N 3 2 342.462 3.597 50 0 EHAALP Cc1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC(C)(C)C)C3)nc1C ZINC000055100193 214273341 /nfs/dbraw/zinc/27/33/41/214273341.db2.gz IZQDRXMFMLNNNT-NRFANRHFSA-N 2 2 344.547 3.736 50 0 EHAALP Cc1nc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC(C)(C)C)C3)nc1C ZINC000055100193 214273344 /nfs/dbraw/zinc/27/33/44/214273344.db2.gz IZQDRXMFMLNNNT-NRFANRHFSA-N 2 2 344.547 3.736 50 0 EHAALP Cc1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC(C)(C)C)C3)nc1C ZINC000055100193 214273348 /nfs/dbraw/zinc/27/33/48/214273348.db2.gz IZQDRXMFMLNNNT-NRFANRHFSA-N 2 2 344.547 3.736 50 0 EHAALP Cc1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC(C)(C)C)C3)nc1C ZINC000055100193 214273352 /nfs/dbraw/zinc/27/33/52/214273352.db2.gz IZQDRXMFMLNNNT-NRFANRHFSA-N 2 2 344.547 3.736 50 0 EHAALP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Br)cs1 ZINC000037156811 213134669 /nfs/dbraw/zinc/13/46/69/213134669.db2.gz PCPMBCUUHNQDFV-ZDUSSCGKSA-N 2 2 342.306 3.912 50 0 EHAALP c1cn(-c2ccc(C[N@@H+]3CCCN(c4ccccc4)CC3)cc2)c[nH+]1 ZINC000072125600 216016560 /nfs/dbraw/zinc/01/65/60/216016560.db2.gz LFRAKDHVIGCGKN-UHFFFAOYSA-N 2 2 332.451 3.585 50 0 EHAALP c1cn(-c2ccc(C[N@H+]3CCCN(c4ccccc4)CC3)cc2)c[nH+]1 ZINC000072125600 216016561 /nfs/dbraw/zinc/01/65/61/216016561.db2.gz LFRAKDHVIGCGKN-UHFFFAOYSA-N 2 2 332.451 3.585 50 0 EHAALP Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000215830007 241151592 /nfs/dbraw/zinc/15/15/92/241151592.db2.gz BFVMJXCCSYMPKN-KRWDZBQOSA-N 2 2 349.482 3.807 50 0 EHAALP Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000215830007 241151597 /nfs/dbraw/zinc/15/15/97/241151597.db2.gz BFVMJXCCSYMPKN-KRWDZBQOSA-N 2 2 349.482 3.807 50 0 EHAALP Cc1ccc2c(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc(=O)oc2c1 ZINC000020407820 212125697 /nfs/dbraw/zinc/12/56/97/212125697.db2.gz RAAPVUXKSNRYLQ-UHFFFAOYSA-N 2 2 340.467 3.552 50 0 EHAALP COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@H]2C[NH+]3CCC2CC3)cc1 ZINC000019363254 212021163 /nfs/dbraw/zinc/02/11/63/212021163.db2.gz UOMBRGFRARDBQJ-YADHBBJMSA-N 2 2 336.479 3.663 50 0 EHAALP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2C[NH+]3CCC2CC3)cc1 ZINC000019363255 212021055 /nfs/dbraw/zinc/02/10/55/212021055.db2.gz UOMBRGFRARDBQJ-VXKWHMMOSA-N 2 2 336.479 3.663 50 0 EHAALP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)o1 ZINC000095421530 218362682 /nfs/dbraw/zinc/36/26/82/218362682.db2.gz JZUAPUSLSFUWED-INIZCTEOSA-N 2 2 327.472 3.595 50 0 EHAALP Fc1cc(Cl)ccc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000187580858 534446069 /nfs/dbraw/zinc/44/60/69/534446069.db2.gz DNDUMRLDDVSAJA-UHFFFAOYSA-N 2 2 333.838 3.628 50 0 EHAALP CC(=O)Nc1ccc(C[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000057996904 563936419 /nfs/dbraw/zinc/93/64/19/563936419.db2.gz AWHLEOHRGNASLV-GOSISDBHSA-N 2 2 343.496 3.633 50 0 EHAALP c1cnn(Cc2ccccc2C[N@H+]2CCCC[C@@H]2CCn2cc[nH+]c2)c1 ZINC000077406558 563969432 /nfs/dbraw/zinc/96/94/32/563969432.db2.gz LPKZXBXRUOFEHC-OAQYLSRUSA-N 2 2 349.482 3.573 50 0 EHAALP c1cnn(Cc2ccccc2C[N@@H+]2CCCC[C@@H]2CCn2cc[nH+]c2)c1 ZINC000077406558 563969433 /nfs/dbraw/zinc/96/94/33/563969433.db2.gz LPKZXBXRUOFEHC-OAQYLSRUSA-N 2 2 349.482 3.573 50 0 EHAALP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[N@H+](C)Cc1cncs1 ZINC000092017565 564088835 /nfs/dbraw/zinc/08/88/35/564088835.db2.gz MWHWBCWKZINHLA-HOTGVXAUSA-N 2 2 329.513 3.732 50 0 EHAALP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[N@@H+](C)Cc1cncs1 ZINC000092017565 564088836 /nfs/dbraw/zinc/08/88/36/564088836.db2.gz MWHWBCWKZINHLA-HOTGVXAUSA-N 2 2 329.513 3.732 50 0 EHAALP Cc1cccn2c(C[NH2+][C@@H]3CCCc4c3cnn4C(C)(C)C)c[nH+]c12 ZINC000076042779 564114731 /nfs/dbraw/zinc/11/47/31/564114731.db2.gz DCRCSDHLGXXYDG-QGZVFWFLSA-N 2 2 337.471 3.761 50 0 EHAALP Clc1ccc(-n2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cn2)cc1 ZINC000095982829 564143771 /nfs/dbraw/zinc/14/37/71/564143771.db2.gz GPCABPYOBXNCJW-UHFFFAOYSA-N 2 2 341.846 3.559 50 0 EHAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000245316713 564169051 /nfs/dbraw/zinc/16/90/51/564169051.db2.gz KGEIHHUWMJPNNI-QGTPRVQTSA-N 3 2 342.462 3.597 50 0 EHAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000245316713 564169052 /nfs/dbraw/zinc/16/90/52/564169052.db2.gz KGEIHHUWMJPNNI-QGTPRVQTSA-N 3 2 342.462 3.597 50 0 EHAALP c1cc(C2CC[NH+](Cc3cc(C[NH+]4CCCCC4)cs3)CC2)[nH]n1 ZINC000820414118 1130869832 /nfs/dbraw/zinc/86/98/32/1130869832.db2.gz BWBRBWWBMQRVSH-UHFFFAOYSA-N 2 2 344.528 3.837 50 0 EHAALP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000051793802 214104184 /nfs/dbraw/zinc/10/41/84/214104184.db2.gz LCBNMHPKOODTHE-HNNXBMFYSA-N 2 2 332.492 3.596 50 0 EHAALP c1sc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1C[NH+]1CCCC1 ZINC000097775488 219056833 /nfs/dbraw/zinc/05/68/33/219056833.db2.gz RJYOPNWYXOGEJW-HXUWFJFHSA-N 2 2 342.508 3.917 50 0 EHAALP c1sc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1C[NH+]1CCCC1 ZINC000097775488 219056835 /nfs/dbraw/zinc/05/68/35/219056835.db2.gz RJYOPNWYXOGEJW-HXUWFJFHSA-N 2 2 342.508 3.917 50 0 EHAALP Clc1ccccc1OC1C[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000072155959 216045805 /nfs/dbraw/zinc/04/58/05/216045805.db2.gz RGCORGNDBQVVLK-MAUKXSAKSA-N 2 2 334.891 3.668 50 0 EHAALP Clc1ccccc1OC1C[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000072155959 216045807 /nfs/dbraw/zinc/04/58/07/216045807.db2.gz RGCORGNDBQVVLK-MAUKXSAKSA-N 2 2 334.891 3.668 50 0 EHAALP Cc1ccc([C@@H](CC[NH2+]CC[NH+](C)C)[C@H]2CCOC(C)(C)C2)cc1 ZINC000020566492 212148055 /nfs/dbraw/zinc/14/80/55/212148055.db2.gz OFXYFIUSQDZZBQ-VQTJNVASSA-N 2 2 332.532 3.825 50 0 EHAALP C[NH+](C)CC[NH2+]CCCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000020418788 212126977 /nfs/dbraw/zinc/12/69/77/212126977.db2.gz NSFMTXXIWNCKBD-UHFFFAOYSA-N 2 2 340.511 3.933 50 0 EHAALP Fc1ccc([C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C2CC2)cc1 ZINC000095422196 218364472 /nfs/dbraw/zinc/36/44/72/218364472.db2.gz NNARPFHJZSHNQJ-NRFANRHFSA-N 2 2 339.458 3.926 50 0 EHAALP Cc1n[nH]c(C[N@H+]2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c1Cl ZINC000097294758 219009707 /nfs/dbraw/zinc/00/97/07/219009707.db2.gz UJPLQEAUXNJNCA-QGZVFWFLSA-N 2 2 332.879 3.770 50 0 EHAALP Cc1n[nH]c(C[N@@H+]2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c1Cl ZINC000097294758 219009710 /nfs/dbraw/zinc/00/97/10/219009710.db2.gz UJPLQEAUXNJNCA-QGZVFWFLSA-N 2 2 332.879 3.770 50 0 EHAALP C[N@@H+](Cc1ccoc1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000014975700 563769654 /nfs/dbraw/zinc/76/96/54/563769654.db2.gz PTNZZLKXCLVTRS-GOSISDBHSA-N 2 2 330.447 3.805 50 0 EHAALP C[N@H+](Cc1ccoc1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000014975700 563769656 /nfs/dbraw/zinc/76/96/56/563769656.db2.gz PTNZZLKXCLVTRS-GOSISDBHSA-N 2 2 330.447 3.805 50 0 EHAALP C[NH+](Cc1ccoc1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000014975700 563769658 /nfs/dbraw/zinc/76/96/58/563769658.db2.gz PTNZZLKXCLVTRS-GOSISDBHSA-N 2 2 330.447 3.805 50 0 EHAALP C[NH+](Cc1ccoc1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000014975700 563769660 /nfs/dbraw/zinc/76/96/60/563769660.db2.gz PTNZZLKXCLVTRS-GOSISDBHSA-N 2 2 330.447 3.805 50 0 EHAALP CCCCc1[nH]cc(-c2c(-c3ccccc3)ncn2[C@H]2CC[NH2+]C2)[nH+]1 ZINC000065420505 563960558 /nfs/dbraw/zinc/96/05/58/563960558.db2.gz RTLDOKRXXUOUMI-INIZCTEOSA-N 2 2 335.455 3.817 50 0 EHAALP Cc1ccc(C(=O)CCC[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000082086712 563971982 /nfs/dbraw/zinc/97/19/82/563971982.db2.gz JICIJAGDFATWHG-GOSISDBHSA-N 2 2 325.456 3.571 50 0 EHAALP Cc1ccc(C(=O)CCC[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000082086712 563971983 /nfs/dbraw/zinc/97/19/83/563971983.db2.gz JICIJAGDFATWHG-GOSISDBHSA-N 2 2 325.456 3.571 50 0 EHAALP Cc1nc(N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)cc(C(C)C)[nH+]1 ZINC000082096407 563972160 /nfs/dbraw/zinc/97/21/60/563972160.db2.gz BHMMTASVBVGFJA-KRWDZBQOSA-N 2 2 339.487 3.899 50 0 EHAALP Cc1nc2ccccn2c1C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000075572575 564089597 /nfs/dbraw/zinc/08/95/97/564089597.db2.gz YLTXSBLGASTBIA-HXUWFJFHSA-N 2 2 334.467 3.569 50 0 EHAALP COc1cccc2cc([C@H](C)[NH2+][C@H]3CCc4[nH+]c(C)cn4C3)oc21 ZINC000095987865 564144012 /nfs/dbraw/zinc/14/40/12/564144012.db2.gz XQOOCYCCSFKVOK-ZFWWWQNUSA-N 2 2 325.412 3.612 50 0 EHAALP CC(C)(C)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4c3OCO4)C2)C1 ZINC000012072615 1129326576 /nfs/dbraw/zinc/32/65/76/1129326576.db2.gz ICZJQRUEDXIZEF-NRFANRHFSA-N 2 2 344.499 3.749 50 0 EHAALP CC(C)(C)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4c3OCO4)C2)C1 ZINC000012072615 1129326580 /nfs/dbraw/zinc/32/65/80/1129326580.db2.gz ICZJQRUEDXIZEF-NRFANRHFSA-N 2 2 344.499 3.749 50 0 EHAALP CC(C)(C)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc4c3OCO4)C2)C1 ZINC000012072615 1129326585 /nfs/dbraw/zinc/32/65/85/1129326585.db2.gz ICZJQRUEDXIZEF-NRFANRHFSA-N 2 2 344.499 3.749 50 0 EHAALP CC(C)(C)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc4c3OCO4)C2)C1 ZINC000012072615 1129326590 /nfs/dbraw/zinc/32/65/90/1129326590.db2.gz ICZJQRUEDXIZEF-NRFANRHFSA-N 2 2 344.499 3.749 50 0 EHAALP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000051793804 214103423 /nfs/dbraw/zinc/10/34/23/214103423.db2.gz LCBNMHPKOODTHE-OAHLLOKOSA-N 2 2 332.492 3.596 50 0 EHAALP C[NH+](C)CCC[NH+](CCC[NH+](C)C)Cc1cccc2ccccc21 ZINC000002498288 209857732 /nfs/dbraw/zinc/85/77/32/209857732.db2.gz BOBWYSLBDFVSAQ-UHFFFAOYSA-N 3 2 327.516 3.545 50 0 EHAALP C[C@H](C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000187774750 236296974 /nfs/dbraw/zinc/29/69/74/236296974.db2.gz JLFBFWVSSDOCKK-MRXNPFEDSA-N 3 2 349.950 3.592 50 0 EHAALP Cc1cc(NC(=O)c2ccc(C(=O)Nc3cc[nH+]c(C)c3)cc2)cc[nH+]1 ZINC000073557421 216396031 /nfs/dbraw/zinc/39/60/31/216396031.db2.gz YDUFSBIYCVZHHM-UHFFFAOYSA-N 2 2 346.390 3.598 50 0 EHAALP [NH3+]CC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000022917504 212334980 /nfs/dbraw/zinc/33/49/80/212334980.db2.gz GHMNCFVNGJNFHU-OAHLLOKOSA-N 2 2 339.664 3.740 50 0 EHAALP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)co2)cc1F ZINC000080961333 217344290 /nfs/dbraw/zinc/34/42/90/217344290.db2.gz UGPIMUXLEUAYRV-ZDUSSCGKSA-N 2 2 344.365 3.723 50 0 EHAALP Fc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)co2)cc1F ZINC000080961333 217344292 /nfs/dbraw/zinc/34/42/92/217344292.db2.gz UGPIMUXLEUAYRV-ZDUSSCGKSA-N 2 2 344.365 3.723 50 0 EHAALP Cc1[nH]c2ccc(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)cc2c1C ZINC000011874076 211262806 /nfs/dbraw/zinc/26/28/06/211262806.db2.gz NXIKYRCRFUTECL-UHFFFAOYSA-N 2 2 348.494 3.934 50 0 EHAALP CCc1cc(C[NH+]2CCC(c3[nH+]ccn3CC3CCC3)CC2)on1 ZINC000091817714 218069500 /nfs/dbraw/zinc/06/95/00/218069500.db2.gz XWPBTYSMUJGMAB-UHFFFAOYSA-N 2 2 328.460 3.613 50 0 EHAALP COc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1OC ZINC000025356153 563883741 /nfs/dbraw/zinc/88/37/41/563883741.db2.gz BNQSEAKUQSAOGK-OAHLLOKOSA-N 2 2 337.423 3.740 50 0 EHAALP COc1ccc(/C=C/C[N@@H+]2CCCC[C@H]2CCc2[nH+]ccn2C)cc1 ZINC000077554917 563970326 /nfs/dbraw/zinc/97/03/26/563970326.db2.gz CITLRPNRMJCOIU-UEKDZROGSA-N 2 2 339.483 3.929 50 0 EHAALP COc1ccc(/C=C/C[N@H+]2CCCC[C@H]2CCc2[nH+]ccn2C)cc1 ZINC000077554917 563970327 /nfs/dbraw/zinc/97/03/27/563970327.db2.gz CITLRPNRMJCOIU-UEKDZROGSA-N 2 2 339.483 3.929 50 0 EHAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000097013894 564149107 /nfs/dbraw/zinc/14/91/07/564149107.db2.gz GQEVWHPZQRHIRL-NEWSRXKRSA-N 2 2 349.478 3.538 50 0 EHAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000097013894 564149108 /nfs/dbraw/zinc/14/91/08/564149108.db2.gz GQEVWHPZQRHIRL-NEWSRXKRSA-N 2 2 349.478 3.538 50 0 EHAALP Cc1c[nH+]c(-c2ccncc2)n1CC1C[NH+](Cc2cccc(C)c2)C1 ZINC000575550612 1131572851 /nfs/dbraw/zinc/57/28/51/1131572851.db2.gz XGKSQKYAACBWBY-UHFFFAOYSA-N 2 2 332.451 3.694 50 0 EHAALP COCCCn1c(C)c[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000581815726 1132372146 /nfs/dbraw/zinc/37/21/46/1132372146.db2.gz HBZQFWQAKKDJIZ-LJQANCHMSA-N 2 2 327.472 3.526 50 0 EHAALP COCCCn1c(C)c[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000581815726 1132372154 /nfs/dbraw/zinc/37/21/54/1132372154.db2.gz HBZQFWQAKKDJIZ-LJQANCHMSA-N 2 2 327.472 3.526 50 0 EHAALP Cc1ccc[nH+]c1N1CC[NH+](Cc2ccc([C@@H]3CCCO3)s2)CC1 ZINC000072166038 216056269 /nfs/dbraw/zinc/05/62/69/216056269.db2.gz XMEFHKJUVJOSLH-KRWDZBQOSA-N 2 2 343.496 3.625 50 0 EHAALP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072253564 216083582 /nfs/dbraw/zinc/08/35/82/216083582.db2.gz RHQGAFMUXKLTGV-LJQANCHMSA-N 2 2 335.455 3.560 50 0 EHAALP Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072253564 216083584 /nfs/dbraw/zinc/08/35/84/216083584.db2.gz RHQGAFMUXKLTGV-LJQANCHMSA-N 2 2 335.455 3.560 50 0 EHAALP CC(=O)c1cccc(C[N@@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)c1 ZINC000072407664 216197875 /nfs/dbraw/zinc/19/78/75/216197875.db2.gz PXUUYALHAOABCZ-UHFFFAOYSA-N 2 2 349.478 3.919 50 0 EHAALP CC(=O)c1cccc(C[N@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)c1 ZINC000072407664 216197878 /nfs/dbraw/zinc/19/78/78/216197878.db2.gz PXUUYALHAOABCZ-UHFFFAOYSA-N 2 2 349.478 3.919 50 0 EHAALP Cc1cccc(-c2ncc(C[NH+]3CCC(c4[nH+]ccn4C)CC3)cn2)c1 ZINC000215543585 241132635 /nfs/dbraw/zinc/13/26/35/241132635.db2.gz XBWWKOOSAKSALT-UHFFFAOYSA-N 2 2 347.466 3.565 50 0 EHAALP Cc1cccnc1C[N@@H+](C)[C@@H]1CCC[NH+](Cc2ncccc2C)CC1 ZINC000093208434 218203750 /nfs/dbraw/zinc/20/37/50/218203750.db2.gz IYCKLPBCVJHUDV-LJQANCHMSA-N 2 2 338.499 3.580 50 0 EHAALP Cc1cccnc1C[N@H+](C)[C@@H]1CCC[NH+](Cc2ncccc2C)CC1 ZINC000093208434 218203752 /nfs/dbraw/zinc/20/37/52/218203752.db2.gz IYCKLPBCVJHUDV-LJQANCHMSA-N 2 2 338.499 3.580 50 0 EHAALP Cc1cccnc1C[NH+](C)[C@@H]1CCC[N@H+](Cc2ncccc2C)CC1 ZINC000093208434 218203755 /nfs/dbraw/zinc/20/37/55/218203755.db2.gz IYCKLPBCVJHUDV-LJQANCHMSA-N 2 2 338.499 3.580 50 0 EHAALP Cc1cccnc1C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ncccc2C)CC1 ZINC000093208434 218203756 /nfs/dbraw/zinc/20/37/56/218203756.db2.gz IYCKLPBCVJHUDV-LJQANCHMSA-N 2 2 338.499 3.580 50 0 EHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCSc3ccccc32)cn1 ZINC000095420604 218362412 /nfs/dbraw/zinc/36/24/12/218362412.db2.gz CPIIPXMSGZNCQE-KRWDZBQOSA-N 2 2 336.464 3.902 50 0 EHAALP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000071911960 563591409 /nfs/dbraw/zinc/59/14/09/563591409.db2.gz DZCZYYSMYBFGIL-HNNXBMFYSA-N 2 2 330.476 3.957 50 0 EHAALP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000071911960 563591412 /nfs/dbraw/zinc/59/14/12/563591412.db2.gz DZCZYYSMYBFGIL-HNNXBMFYSA-N 2 2 330.476 3.957 50 0 EHAALP COc1ccc([C@H](C)CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000096478419 563955155 /nfs/dbraw/zinc/95/51/55/563955155.db2.gz VARGGZKFLBRVTA-QGZVFWFLSA-N 2 2 339.483 3.842 50 0 EHAALP COc1ccccc1/C=C/C[N@@H+]1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000077516450 563970133 /nfs/dbraw/zinc/97/01/33/563970133.db2.gz VDGJVXROOXVNCZ-FNQPIQQGSA-N 2 2 325.456 3.850 50 0 EHAALP COc1ccccc1/C=C/C[N@H+]1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000077516450 563970134 /nfs/dbraw/zinc/97/01/34/563970134.db2.gz VDGJVXROOXVNCZ-FNQPIQQGSA-N 2 2 325.456 3.850 50 0 EHAALP c1c(CC[NH2+][C@@H](c2ccccc2)c2ccncc2)[nH+]c2ccccn12 ZINC000097233868 563970786 /nfs/dbraw/zinc/97/07/86/563970786.db2.gz XYZPTVSIPQRAEH-NRFANRHFSA-N 2 2 328.419 3.651 50 0 EHAALP COc1c(F)cc(-c2[nH+]ccn2Cc2c[nH+]cn2C2CC2)cc1Cl ZINC000082092110 563972094 /nfs/dbraw/zinc/97/20/94/563972094.db2.gz NOYOECBDETXPSM-UHFFFAOYSA-N 2 2 346.793 3.931 50 0 EHAALP C[NH+](C)CCCn1c2ccccc2n2cc(-c3ccc(O)cc3)[nH+]c21 ZINC000253470589 563999266 /nfs/dbraw/zinc/99/92/66/563999266.db2.gz LXDKQVFZUNOVSV-UHFFFAOYSA-N 2 2 334.423 3.613 50 0 EHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)cn1 ZINC000048782285 564032193 /nfs/dbraw/zinc/03/21/93/564032193.db2.gz JMSCAOVKRXGGDV-UHFFFAOYSA-N 2 2 346.356 3.884 50 0 EHAALP Cc1nnsc1C[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000222387813 564036843 /nfs/dbraw/zinc/03/68/43/564036843.db2.gz XTIZCQAPMKCGEC-UHFFFAOYSA-N 2 2 336.530 3.526 50 0 EHAALP Cc1nnsc1C[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000222387813 564036844 /nfs/dbraw/zinc/03/68/44/564036844.db2.gz XTIZCQAPMKCGEC-UHFFFAOYSA-N 2 2 336.530 3.526 50 0 EHAALP CC(C)c1nc([C@@H]2CCCN(c3cccc[nH+]3)C2)n(-c2cc[nH+]cc2)n1 ZINC000584886500 564131488 /nfs/dbraw/zinc/13/14/88/564131488.db2.gz LQLRAFZBNHKETB-MRXNPFEDSA-N 2 2 348.454 3.565 50 0 EHAALP C[N@@H+]1CC[C@H](C[NH2+]Cc2cscn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245289930 564169013 /nfs/dbraw/zinc/16/90/13/564169013.db2.gz GCNBJVGWDQVHRK-MLGOLLRUSA-N 2 2 339.867 3.718 50 0 EHAALP C[N@H+]1CC[C@H](C[NH2+]Cc2cscn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245289930 564169014 /nfs/dbraw/zinc/16/90/14/564169014.db2.gz GCNBJVGWDQVHRK-MLGOLLRUSA-N 2 2 339.867 3.718 50 0 EHAALP c1ccc([C@@H](CC2CCC2)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655753397 1017535841 /nfs/dbraw/zinc/53/58/41/1017535841.db2.gz ZYVZNIQVAKXAAF-LEWJYISDSA-N 2 2 328.500 3.761 50 0 EHAALP Cc1[nH]c2ccc(C[NH2+]C3CC[NH+](Cc4cccnc4)CC3)cc2c1C ZINC000055168515 214283339 /nfs/dbraw/zinc/28/33/39/214283339.db2.gz JWRXJEBHMVUAAP-UHFFFAOYSA-N 2 2 348.494 3.934 50 0 EHAALP CC(C)[N@@H+]1CCC[C@@H](CN(C)Cc2c[nH+]c(CC3CCCC3)[nH]2)C1 ZINC000072144129 216030509 /nfs/dbraw/zinc/03/05/09/216030509.db2.gz CIHYUTMCWPJETA-SFHVURJKSA-N 2 2 332.536 3.695 50 0 EHAALP CC(C)[N@H+]1CCC[C@@H](CN(C)Cc2c[nH+]c(CC3CCCC3)[nH]2)C1 ZINC000072144129 216030512 /nfs/dbraw/zinc/03/05/12/216030512.db2.gz CIHYUTMCWPJETA-SFHVURJKSA-N 2 2 332.536 3.695 50 0 EHAALP Cc1ccccc1-c1cccc(C[N@H+]2CCOC[C@@H](C[NH+](C)C)C2)c1 ZINC000072156214 216045146 /nfs/dbraw/zinc/04/51/46/216045146.db2.gz JJEMHHIXXFEFEK-FQEVSTJZSA-N 2 2 338.495 3.672 50 0 EHAALP Cc1ccccc1-c1cccc(C[N@@H+]2CCOC[C@@H](C[NH+](C)C)C2)c1 ZINC000072156214 216045150 /nfs/dbraw/zinc/04/51/50/216045150.db2.gz JJEMHHIXXFEFEK-FQEVSTJZSA-N 2 2 338.495 3.672 50 0 EHAALP Cc1ccccc1-c1cccc(C[N@H+]2CCOC[C@H](C[NH+](C)C)C2)c1 ZINC000072156213 216046161 /nfs/dbraw/zinc/04/61/61/216046161.db2.gz JJEMHHIXXFEFEK-HXUWFJFHSA-N 2 2 338.495 3.672 50 0 EHAALP Cc1ccccc1-c1cccc(C[N@@H+]2CCOC[C@H](C[NH+](C)C)C2)c1 ZINC000072156213 216046164 /nfs/dbraw/zinc/04/61/64/216046164.db2.gz JJEMHHIXXFEFEK-HXUWFJFHSA-N 2 2 338.495 3.672 50 0 EHAALP Cc1c[nH+]ccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000122038442 222001759 /nfs/dbraw/zinc/00/17/59/222001759.db2.gz HVGZUQAUHKHKTN-INIZCTEOSA-N 2 2 338.455 3.737 50 0 EHAALP COc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1 ZINC000025356558 563883708 /nfs/dbraw/zinc/88/37/08/563883708.db2.gz IEIYQAQVAZSTJJ-OAHLLOKOSA-N 2 2 337.423 3.740 50 0 EHAALP Clc1ccc([C@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)cc1Cl ZINC000071774574 563965699 /nfs/dbraw/zinc/96/56/99/563965699.db2.gz MTFISSZFZCEBIA-MRXNPFEDSA-N 2 2 340.254 3.654 50 0 EHAALP Clc1ccc([C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)cc1Cl ZINC000071774574 563965700 /nfs/dbraw/zinc/96/57/00/563965700.db2.gz MTFISSZFZCEBIA-MRXNPFEDSA-N 2 2 340.254 3.654 50 0 EHAALP CC(C)c1noc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000077375489 563969215 /nfs/dbraw/zinc/96/92/15/563969215.db2.gz RMRQYKYFOPIFPE-QGZVFWFLSA-N 2 2 337.427 3.716 50 0 EHAALP CC(C)c1noc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000077375489 563969216 /nfs/dbraw/zinc/96/92/16/563969216.db2.gz RMRQYKYFOPIFPE-QGZVFWFLSA-N 2 2 337.427 3.716 50 0 EHAALP CCCc1nc(N2CCC([NH2+][C@@H](C)c3nccs3)CC2)cc(C)[nH+]1 ZINC000095506225 563977135 /nfs/dbraw/zinc/97/71/35/563977135.db2.gz IBFWVEDEYMEBND-AWEZNQCLSA-N 2 2 345.516 3.514 50 0 EHAALP C[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189893949 564016549 /nfs/dbraw/zinc/01/65/49/564016549.db2.gz DMZQVTZIGSCWIF-HNNXBMFYSA-N 2 2 345.406 3.773 50 0 EHAALP C[C@H](Cc1ccsc1)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000090667683 564085841 /nfs/dbraw/zinc/08/58/41/564085841.db2.gz CQIMUYSRYCMGAF-HZPDHXFCSA-N 2 2 329.513 3.889 50 0 EHAALP Brc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000006599592 564092585 /nfs/dbraw/zinc/09/25/85/564092585.db2.gz ROVDJGSWVWVURM-UHFFFAOYSA-N 2 2 349.272 3.796 50 0 EHAALP CCn1cc(C[N@H+](C)Cc2ccc(C[NH+]3CCCC3)s2)c(C)n1 ZINC000426392728 564093611 /nfs/dbraw/zinc/09/36/11/564093611.db2.gz GCDGCODLYOWGFO-UHFFFAOYSA-N 2 2 332.517 3.501 50 0 EHAALP CCn1cc(C[N@@H+](C)Cc2ccc(C[NH+]3CCCC3)s2)c(C)n1 ZINC000426392728 564093612 /nfs/dbraw/zinc/09/36/12/564093612.db2.gz GCDGCODLYOWGFO-UHFFFAOYSA-N 2 2 332.517 3.501 50 0 EHAALP C[C@H]([NH2+]C[C@H]1CCCn2cc(C(C)(C)C)[nH+]c21)c1nc(C2CC2)no1 ZINC000089913634 564115228 /nfs/dbraw/zinc/11/52/28/564115228.db2.gz HISGDSNTYICREI-GXTWGEPZSA-N 2 2 343.475 3.669 50 0 EHAALP C[N@H+](CC(=O)N(C1CCCCC1)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000002638900 564151637 /nfs/dbraw/zinc/15/16/37/564151637.db2.gz AAFYMMBIRDRMAT-UHFFFAOYSA-N 2 2 349.563 3.506 50 0 EHAALP C[N@@H+](CC(=O)N(C1CCCCC1)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000002638900 564151638 /nfs/dbraw/zinc/15/16/38/564151638.db2.gz AAFYMMBIRDRMAT-UHFFFAOYSA-N 2 2 349.563 3.506 50 0 EHAALP CC(C)Cc1ccc(C[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000020271636 212115436 /nfs/dbraw/zinc/11/54/36/212115436.db2.gz NNELRUWPWKKZIM-NRFANRHFSA-N 2 2 330.516 3.618 50 0 EHAALP CC(C)Cc1ccc(C[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000020271636 212115437 /nfs/dbraw/zinc/11/54/37/212115437.db2.gz NNELRUWPWKKZIM-NRFANRHFSA-N 2 2 330.516 3.618 50 0 EHAALP c1c(CC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)[nH+]c2n1CCCC2 ZINC000095420217 218360672 /nfs/dbraw/zinc/36/06/72/218360672.db2.gz QDFMBRHLUUJGAC-SFHVURJKSA-N 2 2 337.467 3.798 50 0 EHAALP Cc1n[nH]c(C[N@H+]2CCC[C@H]2c2ccc(C[NH+](C)C)cc2)c1Cl ZINC000097294760 219009906 /nfs/dbraw/zinc/00/99/06/219009906.db2.gz UJPLQEAUXNJNCA-KRWDZBQOSA-N 2 2 332.879 3.770 50 0 EHAALP Cc1n[nH]c(C[N@@H+]2CCC[C@H]2c2ccc(C[NH+](C)C)cc2)c1Cl ZINC000097294760 219009909 /nfs/dbraw/zinc/00/99/09/219009909.db2.gz UJPLQEAUXNJNCA-KRWDZBQOSA-N 2 2 332.879 3.770 50 0 EHAALP Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000032717208 563699708 /nfs/dbraw/zinc/69/97/08/563699708.db2.gz ITDCSSYBBGVZFT-UHFFFAOYSA-N 2 2 344.890 3.884 50 0 EHAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000096484367 563955336 /nfs/dbraw/zinc/95/53/36/563955336.db2.gz KGEIHHUWMJPNNI-BMGDILEWSA-N 3 2 342.462 3.597 50 0 EHAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000096484367 563955338 /nfs/dbraw/zinc/95/53/38/563955338.db2.gz KGEIHHUWMJPNNI-BMGDILEWSA-N 3 2 342.462 3.597 50 0 EHAALP CCCCc1c(-c2ccccc2)[nH+]cn1CC[N@@H+]1CCC[C@@H](CO)C1 ZINC000065509007 563961797 /nfs/dbraw/zinc/96/17/97/563961797.db2.gz MQYNNNBPNFZQDJ-GOSISDBHSA-N 2 2 341.499 3.597 50 0 EHAALP CCCCc1c(-c2ccccc2)[nH+]cn1CC[N@H+]1CCC[C@@H](CO)C1 ZINC000065509007 563961798 /nfs/dbraw/zinc/96/17/98/563961798.db2.gz MQYNNNBPNFZQDJ-GOSISDBHSA-N 2 2 341.499 3.597 50 0 EHAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cn3cccc(C)c3n2)cc1 ZINC000090044930 564116180 /nfs/dbraw/zinc/11/61/80/564116180.db2.gz AERIIEOVUOPCQS-INIZCTEOSA-N 2 2 345.450 3.988 50 0 EHAALP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccnc2)cc1 ZINC000097021379 564149139 /nfs/dbraw/zinc/14/91/39/564149139.db2.gz SQDVGCZMAIJVAC-AQNXPRMDSA-N 2 2 325.431 3.527 50 0 EHAALP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccnc2)cc1 ZINC000097021379 564149140 /nfs/dbraw/zinc/14/91/40/564149140.db2.gz SQDVGCZMAIJVAC-AQNXPRMDSA-N 2 2 325.431 3.527 50 0 EHAALP c1cn(-c2ccc(C[NH2+]Cc3cnc(-c4ccccc4)s3)cn2)c[nH+]1 ZINC000066971426 215100092 /nfs/dbraw/zinc/10/00/92/215100092.db2.gz WVPZEDXXLLSMCV-UHFFFAOYSA-N 2 2 347.447 3.681 50 0 EHAALP Clc1ccccc1-c1cc(C2CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)[nH]n1 ZINC000067920287 215249471 /nfs/dbraw/zinc/24/94/71/215249471.db2.gz LLEUZHNBPOCIQA-OAHLLOKOSA-N 2 2 344.890 3.662 50 0 EHAALP C[NH+]1CCC([N@H+](Cc2cccnc2)Cc2cccc(Cl)c2)CC1 ZINC000072130675 216021367 /nfs/dbraw/zinc/02/13/67/216021367.db2.gz NQKLAZNHFMNDDD-UHFFFAOYSA-N 2 2 329.875 3.831 50 0 EHAALP C[NH+]1CCC([N@@H+](Cc2cccnc2)Cc2cccc(Cl)c2)CC1 ZINC000072130675 216021369 /nfs/dbraw/zinc/02/13/69/216021369.db2.gz NQKLAZNHFMNDDD-UHFFFAOYSA-N 2 2 329.875 3.831 50 0 EHAALP Cc1cc(C)c2[nH]c(=O)c(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000253536515 244012602 /nfs/dbraw/zinc/01/26/02/244012602.db2.gz HJBPZLMAGGEWDS-OAHLLOKOSA-N 2 2 336.439 3.660 50 0 EHAALP Cc1cc(C)c2[nH]c(=O)c(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000253536515 244012606 /nfs/dbraw/zinc/01/26/06/244012606.db2.gz HJBPZLMAGGEWDS-OAHLLOKOSA-N 2 2 336.439 3.660 50 0 EHAALP CCn1cc[nH+]c1[C@H]1CCC[N@H+](CCCOc2cccc(OC)c2)C1 ZINC000091604756 218031483 /nfs/dbraw/zinc/03/14/83/218031483.db2.gz NCYIYUVYLSFLJB-KRWDZBQOSA-N 2 2 343.471 3.560 50 0 EHAALP CCn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCOc2cccc(OC)c2)C1 ZINC000091604756 218031486 /nfs/dbraw/zinc/03/14/86/218031486.db2.gz NCYIYUVYLSFLJB-KRWDZBQOSA-N 2 2 343.471 3.560 50 0 EHAALP Cc1ncsc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095360889 218294557 /nfs/dbraw/zinc/29/45/57/218294557.db2.gz BCEMJHDFBHCPKJ-INIZCTEOSA-N 2 2 330.501 3.828 50 0 EHAALP Cc1ncsc1C[N@H+]1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095360889 218294558 /nfs/dbraw/zinc/29/45/58/218294558.db2.gz BCEMJHDFBHCPKJ-INIZCTEOSA-N 2 2 330.501 3.828 50 0 EHAALP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1F ZINC000095420519 218361573 /nfs/dbraw/zinc/36/15/73/218361573.db2.gz AKNKYKMZEMUXRM-INIZCTEOSA-N 2 2 328.431 3.509 50 0 EHAALP c1ccc(N2CC[NH+](C3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000004561149 563505387 /nfs/dbraw/zinc/50/53/87/563505387.db2.gz NEMCWDJPSWVJBV-UHFFFAOYSA-N 2 2 327.516 3.606 50 0 EHAALP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)C1 ZINC000004712151 563508836 /nfs/dbraw/zinc/50/88/36/563508836.db2.gz SVKBQAXMGBRMLF-DENIHFKCSA-N 2 2 341.543 3.852 50 0 EHAALP CC[N@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2CCC[NH+](CC)C2)CC1 ZINC000032523797 563913873 /nfs/dbraw/zinc/91/38/73/563913873.db2.gz FRSCUQNEBUANQX-NRFANRHFSA-N 3 2 343.559 3.705 50 0 EHAALP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2CCC[NH+](CC)C2)CC1 ZINC000032523797 563913874 /nfs/dbraw/zinc/91/38/74/563913874.db2.gz FRSCUQNEBUANQX-NRFANRHFSA-N 3 2 343.559 3.705 50 0 EHAALP CC[NH+](Cc1ccccc1)C1CC[NH+](C[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000032523797 563913876 /nfs/dbraw/zinc/91/38/76/563913876.db2.gz FRSCUQNEBUANQX-NRFANRHFSA-N 3 2 343.559 3.705 50 0 EHAALP CC[NH+](Cc1ccccc1)C1CC[NH+](C[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000032523797 563913877 /nfs/dbraw/zinc/91/38/77/563913877.db2.gz FRSCUQNEBUANQX-NRFANRHFSA-N 3 2 343.559 3.705 50 0 EHAALP CC[N@@H+]1CCC[C@H](c2[nH+]ccn2Cc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000071750870 563965106 /nfs/dbraw/zinc/96/51/06/563965106.db2.gz KPSMQJYUTNMHPF-ZDUSSCGKSA-N 2 2 343.862 3.660 50 0 EHAALP CC[N@H+]1CCC[C@H](c2[nH+]ccn2Cc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000071750870 563965107 /nfs/dbraw/zinc/96/51/07/563965107.db2.gz KPSMQJYUTNMHPF-ZDUSSCGKSA-N 2 2 343.862 3.660 50 0 EHAALP c1coc(-c2ncc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cn2)c1 ZINC000077469895 563969811 /nfs/dbraw/zinc/96/98/11/563969811.db2.gz HYENRSXGGOXDDL-GOSISDBHSA-N 2 2 340.471 3.577 50 0 EHAALP c1coc(-c2ncc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cn2)c1 ZINC000077469895 563969812 /nfs/dbraw/zinc/96/98/12/563969812.db2.gz HYENRSXGGOXDDL-GOSISDBHSA-N 2 2 340.471 3.577 50 0 EHAALP Cc1nc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)co1 ZINC000082161368 563972840 /nfs/dbraw/zinc/97/28/40/563972840.db2.gz MRSHGDJUAQUFNF-SFHVURJKSA-N 2 2 336.439 3.607 50 0 EHAALP Cc1nc(C[N@H+]2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)co1 ZINC000082161368 563972841 /nfs/dbraw/zinc/97/28/41/563972841.db2.gz MRSHGDJUAQUFNF-SFHVURJKSA-N 2 2 336.439 3.607 50 0 EHAALP Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4cc[nH+]c(C)n4)C3)C2)c1 ZINC000426503335 563996197 /nfs/dbraw/zinc/99/61/97/563996197.db2.gz PDFDUKKIKGPNIN-NRFANRHFSA-N 2 2 336.483 3.586 50 0 EHAALP Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000221818120 564084272 /nfs/dbraw/zinc/08/42/72/564084272.db2.gz SJPPVDJSRIFZNX-HUUCEWRRSA-N 2 2 337.427 3.709 50 0 EHAALP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000221818120 564084273 /nfs/dbraw/zinc/08/42/73/564084273.db2.gz SJPPVDJSRIFZNX-HUUCEWRRSA-N 2 2 337.427 3.709 50 0 EHAALP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000090667443 564085816 /nfs/dbraw/zinc/08/58/16/564085816.db2.gz RAXBHTJREDDUTB-YJBOKZPZSA-N 2 2 331.504 3.543 50 0 EHAALP CN(C)c1ccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC000239637052 564088201 /nfs/dbraw/zinc/08/82/01/564088201.db2.gz BIOFVXQBHPEJCN-ACDBMABISA-N 2 2 336.483 3.755 50 0 EHAALP CN(C)c1ccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC000239637052 564088202 /nfs/dbraw/zinc/08/82/02/564088202.db2.gz BIOFVXQBHPEJCN-ACDBMABISA-N 2 2 336.483 3.755 50 0 EHAALP CCNc1cc[nH+]c(N[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000072458366 216244140 /nfs/dbraw/zinc/24/41/40/216244140.db2.gz LHDUAGBPOOLITO-INIZCTEOSA-N 2 2 345.878 3.638 50 0 EHAALP CCNc1cc[nH+]c(N[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000072458366 216244144 /nfs/dbraw/zinc/24/41/44/216244144.db2.gz LHDUAGBPOOLITO-INIZCTEOSA-N 2 2 345.878 3.638 50 0 EHAALP COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000019363256 212021172 /nfs/dbraw/zinc/02/11/72/212021172.db2.gz UOMBRGFRARDBQJ-FGZHOGPDSA-N 2 2 336.479 3.663 50 0 EHAALP Cc1c(C)n(CC[NH+](C)C)c2[nH+]c3c(c(N)c12)CCc1ccccc1-3 ZINC000012321120 211346390 /nfs/dbraw/zinc/34/63/90/211346390.db2.gz QNVXHISICSVFSB-UHFFFAOYSA-N 2 2 334.467 3.563 50 0 EHAALP CCC(CC)[NH+]1CCC([NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000002735115 563447708 /nfs/dbraw/zinc/44/77/08/563447708.db2.gz MJQCLYHSYABAAK-UHFFFAOYSA-N 2 2 333.495 3.601 50 0 EHAALP Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCCn3cc[nH+]c3)c2)o1 ZINC000069876016 563864397 /nfs/dbraw/zinc/86/43/97/563864397.db2.gz XYXYOQJEHAZICO-INIZCTEOSA-N 2 2 325.412 3.714 50 0 EHAALP c1[nH+]c(CC2CCCC2)[nH]c1CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000077505509 563970059 /nfs/dbraw/zinc/97/00/59/563970059.db2.gz GRZRUDPRBVEAHF-FQEVSTJZSA-N 2 2 344.547 3.983 50 0 EHAALP CCCc1nc(N2CCC([NH2+][C@H](C)c3nccs3)CC2)cc(C)[nH+]1 ZINC000095506226 563977140 /nfs/dbraw/zinc/97/71/40/563977140.db2.gz IBFWVEDEYMEBND-CQSZACIVSA-N 2 2 345.516 3.514 50 0 EHAALP CC[C@H](C)c1ccc(NC(=O)[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000006085818 564073746 /nfs/dbraw/zinc/07/37/46/564073746.db2.gz SACHYHKHZUGKQY-JKSUJKDBSA-N 2 2 333.520 3.705 50 0 EHAALP Brc1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000190753451 564084109 /nfs/dbraw/zinc/08/41/09/564084109.db2.gz OIGSDCSPYGXESY-UHFFFAOYSA-N 2 2 346.228 3.577 50 0 EHAALP COCCCn1c(C)c[nH+]c1[C@H]1CC[N@H+](Cc2sccc2C)C1 ZINC000169788034 1032652822 /nfs/dbraw/zinc/65/28/22/1032652822.db2.gz DAJLCQPAGYJBMN-INIZCTEOSA-N 2 2 333.501 3.587 50 0 EHAALP COCCCn1c(C)c[nH+]c1[C@H]1CC[N@@H+](Cc2sccc2C)C1 ZINC000169788034 1032652832 /nfs/dbraw/zinc/65/28/32/1032652832.db2.gz DAJLCQPAGYJBMN-INIZCTEOSA-N 2 2 333.501 3.587 50 0 EHAALP C[C@H](c1cccc(C[NH+]2CCN(Cc3cccs3)CC2)c1)[NH+](C)C ZINC000823648985 1131073698 /nfs/dbraw/zinc/07/36/98/1131073698.db2.gz MXFZMXGMLZFTPB-QGZVFWFLSA-N 2 2 343.540 3.689 50 0 EHAALP Cc1cccc2[nH+]c(C3CC[NH+](Cc4cccc5nonc54)CC3)[nH]c21 ZINC000072151000 216039858 /nfs/dbraw/zinc/03/98/58/216039858.db2.gz INROGIBEVIYWAE-UHFFFAOYSA-N 2 2 347.422 3.787 50 0 EHAALP Cc1cccc2[nH]c(C3CC[NH+](Cc4cccc5nonc54)CC3)[nH+]c21 ZINC000072151000 216039860 /nfs/dbraw/zinc/03/98/60/216039860.db2.gz INROGIBEVIYWAE-UHFFFAOYSA-N 2 2 347.422 3.787 50 0 EHAALP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(-n2cccn2)cc1 ZINC000072173770 216063402 /nfs/dbraw/zinc/06/34/02/216063402.db2.gz DVNJXZIOWLDESY-UHFFFAOYSA-N 2 2 343.434 3.690 50 0 EHAALP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(-n2cccn2)cc1 ZINC000072173770 216063405 /nfs/dbraw/zinc/06/34/05/216063405.db2.gz DVNJXZIOWLDESY-UHFFFAOYSA-N 2 2 343.434 3.690 50 0 EHAALP C[NH+](C)CC[NH2+]CC[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000020548613 212147123 /nfs/dbraw/zinc/14/71/23/212147123.db2.gz KRSFVMWBUGYVDM-WOJBJXKFSA-N 2 2 332.532 3.592 50 0 EHAALP Cc1c[nH]c(CN2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)[nH+]1 ZINC000011661955 211229586 /nfs/dbraw/zinc/22/95/86/211229586.db2.gz AHVVDVBCPJGARC-HXUWFJFHSA-N 2 2 330.520 3.586 50 0 EHAALP Cc1c[nH]c(CN2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)[nH+]1 ZINC000011661955 211229589 /nfs/dbraw/zinc/22/95/89/211229589.db2.gz AHVVDVBCPJGARC-HXUWFJFHSA-N 2 2 330.520 3.586 50 0 EHAALP COc1ccccc1OCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C(C)C)C1 ZINC000095363720 218296891 /nfs/dbraw/zinc/29/68/91/218296891.db2.gz NHQLUZNIKDCMNK-KRWDZBQOSA-N 2 2 343.471 3.731 50 0 EHAALP COc1ccccc1OCC[N@H+]1CCC[C@H](c2[nH+]ccn2C(C)C)C1 ZINC000095363720 218296894 /nfs/dbraw/zinc/29/68/94/218296894.db2.gz NHQLUZNIKDCMNK-KRWDZBQOSA-N 2 2 343.471 3.731 50 0 EHAALP Fc1ccc([C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C2CC2)cc1 ZINC000095422195 218364070 /nfs/dbraw/zinc/36/40/70/218364070.db2.gz NNARPFHJZSHNQJ-OAQYLSRUSA-N 2 2 339.458 3.926 50 0 EHAALP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CCO1 ZINC000434009227 563866573 /nfs/dbraw/zinc/86/65/73/563866573.db2.gz WGZSAKBIWLMRRS-HDAAZOAOSA-N 2 2 339.483 3.956 50 0 EHAALP FC(F)C(F)(F)CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082120083 563972427 /nfs/dbraw/zinc/97/24/27/563972427.db2.gz XQNZDTZBWLVYCG-CYBMUJFWSA-N 2 2 333.373 3.763 50 0 EHAALP FC(F)C(F)(F)CC[N@H+]1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082120083 563972428 /nfs/dbraw/zinc/97/24/28/563972428.db2.gz XQNZDTZBWLVYCG-CYBMUJFWSA-N 2 2 333.373 3.763 50 0 EHAALP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000090667984 564085811 /nfs/dbraw/zinc/08/58/11/564085811.db2.gz KSXPNQOIEYQLMH-IRXDYDNUSA-N 2 2 339.483 3.966 50 0 EHAALP Cc1nnc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)o1 ZINC000246500563 564089231 /nfs/dbraw/zinc/08/92/31/564089231.db2.gz BEPPSISHVIQAJU-CABCVRRESA-N 2 2 328.460 3.603 50 0 EHAALP Cc1nnc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)o1 ZINC000246500563 564089232 /nfs/dbraw/zinc/08/92/32/564089232.db2.gz BEPPSISHVIQAJU-CABCVRRESA-N 2 2 328.460 3.603 50 0 EHAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067908635 215246677 /nfs/dbraw/zinc/24/66/77/215246677.db2.gz VHBDYOAZFRZDNM-ZDUSSCGKSA-N 2 2 344.365 3.527 50 0 EHAALP Cn1ncc(C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1C1CC1 ZINC000072147537 216035487 /nfs/dbraw/zinc/03/54/87/216035487.db2.gz JRCRZJSCZDJKDF-HNNXBMFYSA-N 2 2 349.482 3.629 50 0 EHAALP Cn1ncc(C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1C1CC1 ZINC000072147537 216035490 /nfs/dbraw/zinc/03/54/90/216035490.db2.gz JRCRZJSCZDJKDF-HNNXBMFYSA-N 2 2 349.482 3.629 50 0 EHAALP COc1ccccc1OC1C[NH+](Cc2cccc([C@@H](C)[NH+](C)C)c2)C1 ZINC000072478852 216259077 /nfs/dbraw/zinc/25/90/77/216259077.db2.gz SFRTXKRPANDASR-MRXNPFEDSA-N 2 2 340.467 3.581 50 0 EHAALP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)C1 ZINC000229419891 242161832 /nfs/dbraw/zinc/16/18/32/242161832.db2.gz APIBAPAPFRNTGG-GHTZIAJQSA-N 2 2 346.478 3.797 50 0 EHAALP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)C1 ZINC000229419891 242161837 /nfs/dbraw/zinc/16/18/37/242161837.db2.gz APIBAPAPFRNTGG-GHTZIAJQSA-N 2 2 346.478 3.797 50 0 EHAALP NC(=[NH2+])NC(=[NH2+])Nc1ccccc1Oc1ccc(Cl)cc1Cl ZINC000020459058 212133049 /nfs/dbraw/zinc/13/30/49/212133049.db2.gz CSOHMLLWJOYILW-UHFFFAOYSA-N 2 2 338.198 3.615 50 0 EHAALP c1cn(CC2CC2)c(C2CC[NH+](CCOc3ccccc3)CC2)[nH+]1 ZINC000091724953 218053670 /nfs/dbraw/zinc/05/36/70/218053670.db2.gz YMALFOFWMXEWKV-UHFFFAOYSA-N 2 2 325.456 3.552 50 0 EHAALP CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Cl)c1OCC ZINC000035360397 520714741 /nfs/dbraw/zinc/71/47/41/520714741.db2.gz GXCBBRLKTVDHNP-UHFFFAOYSA-N 2 2 337.851 3.514 50 0 EHAALP COc1ccc([C@@H](C)CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000096478417 563955137 /nfs/dbraw/zinc/95/51/37/563955137.db2.gz VARGGZKFLBRVTA-KRWDZBQOSA-N 2 2 339.483 3.842 50 0 EHAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000097139272 563968160 /nfs/dbraw/zinc/96/81/60/563968160.db2.gz HLJCKTSDNMSANX-CQSZACIVSA-N 2 2 330.501 3.599 50 0 EHAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000097139272 563968161 /nfs/dbraw/zinc/96/81/61/563968161.db2.gz HLJCKTSDNMSANX-CQSZACIVSA-N 2 2 330.501 3.599 50 0 EHAALP Cc1oc(-c2ccco2)nc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200745 563973282 /nfs/dbraw/zinc/97/32/82/563973282.db2.gz SPITUWXIYADPOV-OAHLLOKOSA-N 2 2 338.411 3.572 50 0 EHAALP Cc1oc(-c2ccco2)nc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200745 563973283 /nfs/dbraw/zinc/97/32/83/563973283.db2.gz SPITUWXIYADPOV-OAHLLOKOSA-N 2 2 338.411 3.572 50 0 EHAALP Cc1nnc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)o1 ZINC000106852007 564026676 /nfs/dbraw/zinc/02/66/76/564026676.db2.gz BEPPSISHVIQAJU-HUUCEWRRSA-N 2 2 328.460 3.603 50 0 EHAALP Cc1nnc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)o1 ZINC000106852007 564026677 /nfs/dbraw/zinc/02/66/77/564026677.db2.gz BEPPSISHVIQAJU-HUUCEWRRSA-N 2 2 328.460 3.603 50 0 EHAALP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)o1 ZINC000108113687 564027785 /nfs/dbraw/zinc/02/77/85/564027785.db2.gz OBXJKMIFYULFOV-DLBZAZTESA-N 2 2 328.456 3.660 50 0 EHAALP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)o1 ZINC000108113687 564027786 /nfs/dbraw/zinc/02/77/86/564027786.db2.gz OBXJKMIFYULFOV-DLBZAZTESA-N 2 2 328.456 3.660 50 0 EHAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nc3ccccc3n2C)cc1 ZINC000084291005 564067669 /nfs/dbraw/zinc/06/76/69/564067669.db2.gz FIYKUNPENLONRE-HNNXBMFYSA-N 2 2 345.450 3.918 50 0 EHAALP FC(F)(F)c1cccc(OC2CC[NH+](CCc3[nH]cc[nH+]3)CC2)c1 ZINC000670436121 564157202 /nfs/dbraw/zinc/15/72/02/564157202.db2.gz KGTUKSPLTKDZPP-UHFFFAOYSA-N 2 2 339.361 3.514 50 0 EHAALP Clc1cccc2ccc(C[NH+]3CCC(Cn4cc[nH+]c4)CC3)nc12 ZINC000097717383 219050621 /nfs/dbraw/zinc/05/06/21/219050621.db2.gz SZOFDIXYICIJEN-UHFFFAOYSA-N 2 2 340.858 3.997 50 0 EHAALP Clc1cccc(OC2C[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000072428359 216219444 /nfs/dbraw/zinc/21/94/44/216219444.db2.gz XWMIYQKGVXNRPZ-HNAYVOBHSA-N 2 2 334.891 3.668 50 0 EHAALP Clc1cccc(OC2C[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000072428359 216219448 /nfs/dbraw/zinc/21/94/48/216219448.db2.gz XWMIYQKGVXNRPZ-HNAYVOBHSA-N 2 2 334.891 3.668 50 0 EHAALP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(OC)c1 ZINC000095420306 218360479 /nfs/dbraw/zinc/36/04/79/218360479.db2.gz WKPIWPQPUHEWHV-IBGZPJMESA-N 2 2 325.456 3.800 50 0 EHAALP CCn1c[nH+]cc1-c1c(-c2ccccc2)ncn1C[C@]1(C)CC[N@H+](C)C1 ZINC000065488201 563961373 /nfs/dbraw/zinc/96/13/73/563961373.db2.gz HQDYDXGTFBRHRE-OAQYLSRUSA-N 2 2 349.482 3.775 50 0 EHAALP CCn1c[nH+]cc1-c1c(-c2ccccc2)ncn1C[C@]1(C)CC[N@@H+](C)C1 ZINC000065488201 563961375 /nfs/dbraw/zinc/96/13/75/563961375.db2.gz HQDYDXGTFBRHRE-OAQYLSRUSA-N 2 2 349.482 3.775 50 0 EHAALP Cc1cc(C)nc(Cn2cc[nH+]c2-c2cccc([C@H](C)[NH+](C)C)c2)n1 ZINC000071735944 563964910 /nfs/dbraw/zinc/96/49/10/563964910.db2.gz XXZKCLHPGYXHNP-INIZCTEOSA-N 2 2 335.455 3.628 50 0 EHAALP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000097017791 563966754 /nfs/dbraw/zinc/96/67/54/563966754.db2.gz JCHHEZNDTZITKY-QGZVFWFLSA-N 2 2 340.471 3.625 50 0 EHAALP Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000097017791 563966755 /nfs/dbraw/zinc/96/67/55/563966755.db2.gz JCHHEZNDTZITKY-QGZVFWFLSA-N 2 2 340.471 3.625 50 0 EHAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000090003983 564116122 /nfs/dbraw/zinc/11/61/22/564116122.db2.gz OUIDXYPYQKJPPH-CQSZACIVSA-N 2 2 342.468 3.591 50 0 EHAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000090003983 564116123 /nfs/dbraw/zinc/11/61/23/564116123.db2.gz OUIDXYPYQKJPPH-CQSZACIVSA-N 2 2 342.468 3.591 50 0 EHAALP Clc1ccsc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000225608862 564149952 /nfs/dbraw/zinc/14/99/52/564149952.db2.gz NFFUHUFHUGVCIX-UHFFFAOYSA-N 2 2 336.888 3.524 50 0 EHAALP Cc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3CC[NH+](C)C)on2)cc1 ZINC000072169743 216060715 /nfs/dbraw/zinc/06/07/15/216060715.db2.gz YOWYUTSSZJNWBQ-SFHVURJKSA-N 2 2 327.472 3.956 50 0 EHAALP Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3CC[NH+](C)C)on2)cc1 ZINC000072169743 216060717 /nfs/dbraw/zinc/06/07/17/216060717.db2.gz YOWYUTSSZJNWBQ-SFHVURJKSA-N 2 2 327.472 3.956 50 0 EHAALP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000020271634 212115935 /nfs/dbraw/zinc/11/59/35/212115935.db2.gz NNELRUWPWKKZIM-OAQYLSRUSA-N 2 2 330.516 3.618 50 0 EHAALP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000020271634 212115938 /nfs/dbraw/zinc/11/59/38/212115938.db2.gz NNELRUWPWKKZIM-OAQYLSRUSA-N 2 2 330.516 3.618 50 0 EHAALP CC(C)=CCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095371283 218304481 /nfs/dbraw/zinc/30/44/81/218304481.db2.gz RLXHDAHVNKWOOR-MRXNPFEDSA-N 2 2 330.501 3.924 50 0 EHAALP CC(C)=CCC[N@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095371283 218304484 /nfs/dbraw/zinc/30/44/84/218304484.db2.gz RLXHDAHVNKWOOR-MRXNPFEDSA-N 2 2 330.501 3.924 50 0 EHAALP Cc1[nH]c2ccccc2c1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000095421683 218364067 /nfs/dbraw/zinc/36/40/67/218364067.db2.gz NUJRYYVJVCKQNW-UHFFFAOYSA-N 2 2 334.467 3.672 50 0 EHAALP C[C@H]1CCC[C@H]([NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)C1 ZINC000004712150 563508889 /nfs/dbraw/zinc/50/88/89/563508889.db2.gz SVKBQAXMGBRMLF-UGKGYDQZSA-N 2 2 341.543 3.852 50 0 EHAALP C[N@@H+](Cc1ccoc1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000014975697 563769590 /nfs/dbraw/zinc/76/95/90/563769590.db2.gz PTNZZLKXCLVTRS-SFHVURJKSA-N 2 2 330.447 3.805 50 0 EHAALP C[N@H+](Cc1ccoc1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000014975697 563769592 /nfs/dbraw/zinc/76/95/92/563769592.db2.gz PTNZZLKXCLVTRS-SFHVURJKSA-N 2 2 330.447 3.805 50 0 EHAALP C[NH+](Cc1ccoc1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000014975697 563769596 /nfs/dbraw/zinc/76/95/96/563769596.db2.gz PTNZZLKXCLVTRS-SFHVURJKSA-N 2 2 330.447 3.805 50 0 EHAALP C[NH+](Cc1ccoc1)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000014975697 563769597 /nfs/dbraw/zinc/76/95/97/563769597.db2.gz PTNZZLKXCLVTRS-SFHVURJKSA-N 2 2 330.447 3.805 50 0 EHAALP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CCO1 ZINC000434009229 563866582 /nfs/dbraw/zinc/86/65/82/563866582.db2.gz WGZSAKBIWLMRRS-XCJLJZCSSA-N 2 2 339.483 3.956 50 0 EHAALP Clc1cccc2ccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)nc12 ZINC000065373271 563958662 /nfs/dbraw/zinc/95/86/62/563958662.db2.gz QWFPIYHAQMNFDH-UHFFFAOYSA-N 2 2 338.842 3.605 50 0 EHAALP Cc1cccc2[nH+]c(C3CCN(c4[nH+]cnc5[nH]ccc54)CC3)[nH]c21 ZINC000077343174 563969066 /nfs/dbraw/zinc/96/90/66/563969066.db2.gz VMHBOZDSCURIOX-UHFFFAOYSA-N 2 2 332.411 3.527 50 0 EHAALP COc1ccc(C[N@@H+]2CCCC[C@@H]2CCc2[nH+]ccn2C)c(F)c1 ZINC000077540527 563970268 /nfs/dbraw/zinc/97/02/68/563970268.db2.gz MARAINZZCGTDEY-MRXNPFEDSA-N 2 2 331.435 3.555 50 0 EHAALP COc1ccc(C[N@H+]2CCCC[C@@H]2CCc2[nH+]ccn2C)c(F)c1 ZINC000077540527 563970269 /nfs/dbraw/zinc/97/02/69/563970269.db2.gz MARAINZZCGTDEY-MRXNPFEDSA-N 2 2 331.435 3.555 50 0 EHAALP COc1ccc(-c2cn3c4ccccc4[nH+]c3n2CC[NH2+]C(C)C)cc1 ZINC000000240874 563989127 /nfs/dbraw/zinc/98/91/27/563989127.db2.gz HMDBPRXFEPJRFG-UHFFFAOYSA-N 2 2 348.450 3.963 50 0 EHAALP Cc1ccc([C@H](O)C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)cc1 ZINC000252512395 564120169 /nfs/dbraw/zinc/12/01/69/564120169.db2.gz QDNOXYSTUUWINT-STZQEDGTSA-N 2 2 338.495 3.529 50 0 EHAALP Cc1ccc([C@H](O)C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)cc1 ZINC000252512395 564120170 /nfs/dbraw/zinc/12/01/70/564120170.db2.gz QDNOXYSTUUWINT-STZQEDGTSA-N 2 2 338.495 3.529 50 0 EHAALP CC(C)Cc1nnc([C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000095395017 564139439 /nfs/dbraw/zinc/13/94/39/564139439.db2.gz AWCLOIWSNZJAMV-QGZVFWFLSA-N 2 2 348.535 3.917 50 0 EHAALP Cc1c[nH+]c([C@H]2CC[N@H+](Cc3ccncc3)C2)n1Cc1ccccc1 ZINC000581816553 1132372215 /nfs/dbraw/zinc/37/22/15/1132372215.db2.gz ZFJPFRIEGGPMKD-FQEVSTJZSA-N 2 2 332.451 3.624 50 0 EHAALP Cc1c[nH+]c([C@H]2CC[N@@H+](Cc3ccncc3)C2)n1Cc1ccccc1 ZINC000581816553 1132372222 /nfs/dbraw/zinc/37/22/22/1132372222.db2.gz ZFJPFRIEGGPMKD-FQEVSTJZSA-N 2 2 332.451 3.624 50 0 EHAALP Cc1ccc(C[N@@H+](C)Cc2cccc(OCCCn3cc[nH+]c3)c2)o1 ZINC000952970599 1137484185 /nfs/dbraw/zinc/48/41/85/1137484185.db2.gz DBSDTXJYLBKFKF-UHFFFAOYSA-N 2 2 339.439 3.886 50 0 EHAALP Cc1ccc(C[N@H+](C)Cc2cccc(OCCCn3cc[nH+]c3)c2)o1 ZINC000952970599 1137484187 /nfs/dbraw/zinc/48/41/87/1137484187.db2.gz DBSDTXJYLBKFKF-UHFFFAOYSA-N 2 2 339.439 3.886 50 0 EHAALP Cc1cccc2[nH+]c(C3CC[NH+](Cc4ccc(CC[NH3+])cc4)CC3)[nH]c21 ZINC000072119513 216013802 /nfs/dbraw/zinc/01/38/02/216013802.db2.gz XPGAVAZJLWCCPL-UHFFFAOYSA-N 3 2 348.494 3.752 50 0 EHAALP Cc1cccc2[nH]c(C3CC[NH+](Cc4ccc(CC[NH3+])cc4)CC3)[nH+]c21 ZINC000072119513 216013805 /nfs/dbraw/zinc/01/38/05/216013805.db2.gz XPGAVAZJLWCCPL-UHFFFAOYSA-N 3 2 348.494 3.752 50 0 EHAALP C[NH+]1CCC([N@H+](Cc2cccnc2)Cc2cccc3cnccc32)CC1 ZINC000072152550 216040334 /nfs/dbraw/zinc/04/03/34/216040334.db2.gz YYSSJTIFEONGFQ-UHFFFAOYSA-N 2 2 346.478 3.726 50 0 EHAALP C[NH+]1CCC([N@@H+](Cc2cccnc2)Cc2cccc3cnccc32)CC1 ZINC000072152550 216040338 /nfs/dbraw/zinc/04/03/38/216040338.db2.gz YYSSJTIFEONGFQ-UHFFFAOYSA-N 2 2 346.478 3.726 50 0 EHAALP Cc1cc(C)c2[nH]c(=O)c(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000253536513 244011514 /nfs/dbraw/zinc/01/15/14/244011514.db2.gz HJBPZLMAGGEWDS-HNNXBMFYSA-N 2 2 336.439 3.660 50 0 EHAALP Cc1cc(C)c2[nH]c(=O)c(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000253536513 244011517 /nfs/dbraw/zinc/01/15/17/244011517.db2.gz HJBPZLMAGGEWDS-HNNXBMFYSA-N 2 2 336.439 3.660 50 0 EHAALP CCC[N@@H+]1C[C@H]2CC[C@@H]1C[NH+](Cc1ccc3c(ccn3CC)c1)C2 ZINC000095383744 218316134 /nfs/dbraw/zinc/31/61/34/218316134.db2.gz FMAQVNTWIDZVEJ-AZUAARDMSA-N 2 2 325.500 3.967 50 0 EHAALP CCC[N@H+]1C[C@H]2CC[C@@H]1C[NH+](Cc1ccc3c(ccn3CC)c1)C2 ZINC000095383744 218316135 /nfs/dbraw/zinc/31/61/35/218316135.db2.gz FMAQVNTWIDZVEJ-AZUAARDMSA-N 2 2 325.500 3.967 50 0 EHAALP CCC[NH+]1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc3c(ccn3CC)c1)C2 ZINC000095383744 218316137 /nfs/dbraw/zinc/31/61/37/218316137.db2.gz FMAQVNTWIDZVEJ-AZUAARDMSA-N 2 2 325.500 3.967 50 0 EHAALP CCC[NH+]1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc3c(ccn3CC)c1)C2 ZINC000095383744 218316138 /nfs/dbraw/zinc/31/61/38/218316138.db2.gz FMAQVNTWIDZVEJ-AZUAARDMSA-N 2 2 325.500 3.967 50 0 EHAALP CCCn1c(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)nc2ccccc21 ZINC000095402061 218336737 /nfs/dbraw/zinc/33/67/37/218336737.db2.gz DWEZRPYRJSSXKN-INIZCTEOSA-N 2 2 337.471 3.618 50 0 EHAALP COc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1F ZINC000095420789 218361813 /nfs/dbraw/zinc/36/18/13/218361813.db2.gz KKCOYXKEIGMOIJ-AWEZNQCLSA-N 2 2 325.387 3.871 50 0 EHAALP CC(C)Oc1ccc[nH+]c1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000002380372 563430855 /nfs/dbraw/zinc/43/08/55/563430855.db2.gz WFLHEXUTTRRXFJ-UHFFFAOYSA-N 2 2 339.483 3.970 50 0 in-vitro EHAALP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CCO1 ZINC000434009226 563866477 /nfs/dbraw/zinc/86/64/77/563866477.db2.gz WGZSAKBIWLMRRS-BNDYYXHWSA-N 2 2 339.483 3.956 50 0 EHAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000082147408 563972714 /nfs/dbraw/zinc/97/27/14/563972714.db2.gz ZRSUIMKFHNWNNI-ZDUSSCGKSA-N 2 2 341.352 3.958 50 0 EHAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000082147408 563972715 /nfs/dbraw/zinc/97/27/15/563972715.db2.gz ZRSUIMKFHNWNNI-ZDUSSCGKSA-N 2 2 341.352 3.958 50 0 EHAALP CCn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000092028258 563975990 /nfs/dbraw/zinc/97/59/90/563975990.db2.gz QLFBVALRFONFPB-QGZVFWFLSA-N 2 2 343.446 3.885 50 0 EHAALP CCn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000092028258 563975991 /nfs/dbraw/zinc/97/59/91/563975991.db2.gz QLFBVALRFONFPB-QGZVFWFLSA-N 2 2 343.446 3.885 50 0 EHAALP CCc1[nH+]c2ccccc2c(NC(=O)C[NH2+]C2CCCCC2)c1C ZINC000003150519 564015080 /nfs/dbraw/zinc/01/50/80/564015080.db2.gz YTUPUYAVCDYXEX-UHFFFAOYSA-N 2 2 325.456 3.966 50 0 EHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2c(F)cccc2Cl)cn1 ZINC000048782249 564032232 /nfs/dbraw/zinc/03/22/32/564032232.db2.gz GOUBLRPKIBZRPS-UHFFFAOYSA-N 2 2 330.794 3.658 50 0 EHAALP Cc1ccncc1C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000241277735 564051920 /nfs/dbraw/zinc/05/19/20/564051920.db2.gz LISUTRPWCXXSGN-DNVCBOLYSA-N 2 2 347.865 3.965 50 0 EHAALP Cc1ccncc1C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000241277735 564051921 /nfs/dbraw/zinc/05/19/21/564051921.db2.gz LISUTRPWCXXSGN-DNVCBOLYSA-N 2 2 347.865 3.965 50 0 EHAALP c1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2c4ccccc4[nH]c23)cc1 ZINC000001381949 564063989 /nfs/dbraw/zinc/06/39/89/564063989.db2.gz MVEXZVFEFIOCPX-UHFFFAOYSA-N 2 2 331.463 3.805 50 0 biogenic EHAALP Cc1cc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000027545344 564132083 /nfs/dbraw/zinc/13/20/83/564132083.db2.gz AIFCYYDJSRSOBG-INIZCTEOSA-N 2 2 342.462 3.931 50 0 EHAALP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc2cc(Cl)ccc2o1 ZINC000095987835 564143988 /nfs/dbraw/zinc/14/39/88/564143988.db2.gz PLGWZWRMQMORKO-ZDUSSCGKSA-N 2 2 336.863 3.584 50 0 EHAALP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000106216951 1044352181 /nfs/dbraw/zinc/35/21/81/1044352181.db2.gz RUGKVPGHVSQADZ-OAHLLOKOSA-N 2 2 333.863 3.815 50 0 EHAALP C[N@@H+](Cc1cccnc1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000055211192 214288919 /nfs/dbraw/zinc/28/89/19/214288919.db2.gz GFNOLRNQKTZTEV-HXUWFJFHSA-N 2 2 341.474 3.607 50 0 EHAALP C[N@H+](Cc1cccnc1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000055211192 214288920 /nfs/dbraw/zinc/28/89/20/214288920.db2.gz GFNOLRNQKTZTEV-HXUWFJFHSA-N 2 2 341.474 3.607 50 0 EHAALP C[NH+](Cc1cccnc1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000055211192 214288923 /nfs/dbraw/zinc/28/89/23/214288923.db2.gz GFNOLRNQKTZTEV-HXUWFJFHSA-N 2 2 341.474 3.607 50 0 EHAALP C[NH+](Cc1cccnc1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000055211192 214288925 /nfs/dbraw/zinc/28/89/25/214288925.db2.gz GFNOLRNQKTZTEV-HXUWFJFHSA-N 2 2 341.474 3.607 50 0 EHAALP Cc1cc(C)nc(C[N@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)c1 ZINC000216444498 241193177 /nfs/dbraw/zinc/19/31/77/241193177.db2.gz NYSFWBLUBQNGAM-UHFFFAOYSA-N 2 2 329.513 3.988 50 0 EHAALP Cc1cc(C)nc(C[N@@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)c1 ZINC000216444498 241193184 /nfs/dbraw/zinc/19/31/84/241193184.db2.gz NYSFWBLUBQNGAM-UHFFFAOYSA-N 2 2 329.513 3.988 50 0 EHAALP CCc1ccccc1OCC[N@H+]1CCC[C@@H](c2[nH+]ccn2CC)C1 ZINC000091665710 218044651 /nfs/dbraw/zinc/04/46/51/218044651.db2.gz NTVAUJIFQUJHGR-GOSISDBHSA-N 2 2 327.472 3.724 50 0 EHAALP CCc1ccccc1OCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2CC)C1 ZINC000091665710 218044653 /nfs/dbraw/zinc/04/46/53/218044653.db2.gz NTVAUJIFQUJHGR-GOSISDBHSA-N 2 2 327.472 3.724 50 0 EHAALP c1cn(Cc2cscn2)c([C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000095390223 218321338 /nfs/dbraw/zinc/32/13/38/218321338.db2.gz BWGPCSCLJZQKSL-KRWDZBQOSA-N 2 2 338.480 3.768 50 0 EHAALP c1cn(Cc2cscn2)c([C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000095390223 218321341 /nfs/dbraw/zinc/32/13/41/218321341.db2.gz BWGPCSCLJZQKSL-KRWDZBQOSA-N 2 2 338.480 3.768 50 0 EHAALP COc1ccc(C[N@H+](C)Cc2c(C)noc2C)cc1C[NH+]1CCCC1 ZINC000097505643 219031567 /nfs/dbraw/zinc/03/15/67/219031567.db2.gz JBIAJCORDLKFNQ-UHFFFAOYSA-N 2 2 343.471 3.528 50 0 EHAALP COc1ccc(C[N@@H+](C)Cc2c(C)noc2C)cc1C[NH+]1CCCC1 ZINC000097505643 219031568 /nfs/dbraw/zinc/03/15/68/219031568.db2.gz JBIAJCORDLKFNQ-UHFFFAOYSA-N 2 2 343.471 3.528 50 0 EHAALP COc1ccccc1CCc1[nH+]c2ccccc2n1C1CC[NH2+]CC1 ZINC000299777194 258087425 /nfs/dbraw/zinc/08/74/25/258087425.db2.gz JWIAFRLRXOAILV-UHFFFAOYSA-N 2 2 335.451 3.755 50 0 EHAALP Cc1cccc(C[NH+]2CCC([NH2+][C@@H](C)c3cnc(C)nc3C)CC2)c1 ZINC000097016542 563966695 /nfs/dbraw/zinc/96/66/95/563966695.db2.gz CIKVDICTDNEJSQ-KRWDZBQOSA-N 2 2 338.499 3.717 50 0 EHAALP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1nc2cc(C)ccc2[nH]1 ZINC000077286478 563968693 /nfs/dbraw/zinc/96/86/93/563968693.db2.gz KTCPAVVMEOZIIM-QGZVFWFLSA-N 2 2 337.471 3.821 50 0 EHAALP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1nc2cc(C)ccc2[nH]1 ZINC000077286478 563968694 /nfs/dbraw/zinc/96/86/94/563968694.db2.gz KTCPAVVMEOZIIM-QGZVFWFLSA-N 2 2 337.471 3.821 50 0 EHAALP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1nc2ccc(C)cc2[nH]1 ZINC000077286478 563968695 /nfs/dbraw/zinc/96/86/95/563968695.db2.gz KTCPAVVMEOZIIM-QGZVFWFLSA-N 2 2 337.471 3.821 50 0 EHAALP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1nc2ccc(C)cc2[nH]1 ZINC000077286478 563968696 /nfs/dbraw/zinc/96/86/96/563968696.db2.gz KTCPAVVMEOZIIM-QGZVFWFLSA-N 2 2 337.471 3.821 50 0 EHAALP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1cc(C(C)(C)C)n[nH]1 ZINC000077357601 563969191 /nfs/dbraw/zinc/96/91/91/563969191.db2.gz BXAQUBPULRURCR-QGZVFWFLSA-N 2 2 329.492 3.657 50 0 EHAALP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1cc(C(C)(C)C)n[nH]1 ZINC000077357601 563969192 /nfs/dbraw/zinc/96/91/92/563969192.db2.gz BXAQUBPULRURCR-QGZVFWFLSA-N 2 2 329.492 3.657 50 0 EHAALP COc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000121360149 564078832 /nfs/dbraw/zinc/07/88/32/564078832.db2.gz FWQLGLGEIMBASE-AWEZNQCLSA-N 2 2 329.419 3.549 50 0 EHAALP C[C@@H]([NH2+]C[C@@H]1CCCn2cc(C(C)(C)C)[nH+]c21)c1nc(C2CC2)no1 ZINC000089913633 564115231 /nfs/dbraw/zinc/11/52/31/564115231.db2.gz HISGDSNTYICREI-OCCSQVGLSA-N 2 2 343.475 3.669 50 0 EHAALP C[C@@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccc(F)c(F)c1 ZINC000095968748 564143272 /nfs/dbraw/zinc/14/32/72/564143272.db2.gz QHWDDPGZTPLFOU-HNNXBMFYSA-N 2 2 345.437 3.718 50 0 EHAALP CCCn1ccnc1C[N@@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000072131900 216020040 /nfs/dbraw/zinc/02/00/40/216020040.db2.gz FCFJFXOFFFNCOC-INIZCTEOSA-N 2 2 337.471 3.624 50 0 EHAALP CCCn1ccnc1C[N@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000072131900 216020042 /nfs/dbraw/zinc/02/00/42/216020042.db2.gz FCFJFXOFFFNCOC-INIZCTEOSA-N 2 2 337.471 3.624 50 0 EHAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Br)cs1 ZINC000037156809 213134790 /nfs/dbraw/zinc/13/47/90/213134790.db2.gz PCPMBCUUHNQDFV-CYBMUJFWSA-N 2 2 342.306 3.912 50 0 EHAALP Cc1cccc(C)c1Oc1ncccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000020203754 212111053 /nfs/dbraw/zinc/11/10/53/212111053.db2.gz KUUAGNAJSGIGNN-UHFFFAOYSA-N 2 2 325.456 3.675 50 0 EHAALP C=Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)[nH+]c1 ZINC000091426772 218004457 /nfs/dbraw/zinc/00/44/57/218004457.db2.gz CAMSSCNRZHLBKD-LJQANCHMSA-N 2 2 345.450 3.748 50 0 EHAALP Cc1nc(C[NH+]2CCC(c3[nH+]ccn3CC3CCC3)CC2)cs1 ZINC000091445122 218006671 /nfs/dbraw/zinc/00/66/71/218006671.db2.gz LMDVLKIJUZJSKC-UHFFFAOYSA-N 2 2 330.501 3.828 50 0 EHAALP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000095420147 218360844 /nfs/dbraw/zinc/36/08/44/218360844.db2.gz CSIIXBDSCOYFDY-INIZCTEOSA-N 2 2 348.450 3.741 50 0 EHAALP COc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(OC)c1 ZINC000095420791 218361906 /nfs/dbraw/zinc/36/19/06/218361906.db2.gz UHKTYYBHBMWSJD-HNNXBMFYSA-N 2 2 337.423 3.740 50 0 EHAALP Cc1cc(N2CC[NH+](CC(=O)c3ccccc3)CC2)c2ccccc2[nH+]1 ZINC000035590070 132389870 /nfs/dbraw/zinc/38/98/70/132389870.db2.gz PJGNPPUPBSZDLY-UHFFFAOYSA-N 2 2 345.446 3.548 50 0 EHAALP COc1ccc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000002735182 563447741 /nfs/dbraw/zinc/44/77/41/563447741.db2.gz FVVYDDTWWYGXML-UHFFFAOYSA-N 2 2 336.479 3.718 50 0 EHAALP COc1ccc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000002735182 563447743 /nfs/dbraw/zinc/44/77/43/563447743.db2.gz FVVYDDTWWYGXML-UHFFFAOYSA-N 2 2 336.479 3.718 50 0 EHAALP Cc1nnc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)o1 ZINC000071902482 563555048 /nfs/dbraw/zinc/55/50/48/563555048.db2.gz BEPPSISHVIQAJU-GJZGRUSLSA-N 2 2 328.460 3.603 50 0 EHAALP Cc1nnc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)o1 ZINC000071902482 563555052 /nfs/dbraw/zinc/55/50/52/563555052.db2.gz BEPPSISHVIQAJU-GJZGRUSLSA-N 2 2 328.460 3.603 50 0 EHAALP CC(C)[NH+]1CCC([NH2+]Cc2cccnc2Oc2ccccc2)CC1 ZINC000015064550 563774702 /nfs/dbraw/zinc/77/47/02/563774702.db2.gz FDDHMENOTCBNOB-UHFFFAOYSA-N 2 2 325.456 3.836 50 0 EHAALP Cc1cccc(OC2CCN(c3ccc(Cn4cc[nH+]c4)c[nH+]3)CC2)c1 ZINC000077303739 563968867 /nfs/dbraw/zinc/96/88/67/563968867.db2.gz ZFVKILWSGLRSMV-UHFFFAOYSA-N 2 2 348.450 3.683 50 0 EHAALP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)c1 ZINC000077454169 563969792 /nfs/dbraw/zinc/96/97/92/563969792.db2.gz CGQJZNDDLJLMSQ-IBGZPJMESA-N 2 2 338.430 3.540 50 0 EHAALP [NH3+]CCc1cccc(C[N@H+]2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)c1 ZINC000077454169 563969793 /nfs/dbraw/zinc/96/97/93/563969793.db2.gz CGQJZNDDLJLMSQ-IBGZPJMESA-N 2 2 338.430 3.540 50 0 EHAALP COc1ccccc1/C=C/C[N@@H+]1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000077516446 563970151 /nfs/dbraw/zinc/97/01/51/563970151.db2.gz VDGJVXROOXVNCZ-ZLQZBKBYSA-N 2 2 325.456 3.850 50 0 EHAALP COc1ccccc1/C=C/C[N@H+]1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000077516446 563970152 /nfs/dbraw/zinc/97/01/52/563970152.db2.gz VDGJVXROOXVNCZ-ZLQZBKBYSA-N 2 2 325.456 3.850 50 0 EHAALP CCCc1c[nH+]c(C)nc1N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082137463 563972625 /nfs/dbraw/zinc/97/26/25/563972625.db2.gz WBOPXLLLTXFBEO-SFHVURJKSA-N 2 2 339.487 3.728 50 0 EHAALP C[N@@H+](Cc1cc(C2CC2)n[nH]1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000244811462 564052332 /nfs/dbraw/zinc/05/23/32/564052332.db2.gz SDEJPNYIXBOPHT-SFHVURJKSA-N 2 2 338.499 3.631 50 0 EHAALP C[N@H+](Cc1cc(C2CC2)n[nH]1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000244811462 564052333 /nfs/dbraw/zinc/05/23/33/564052333.db2.gz SDEJPNYIXBOPHT-SFHVURJKSA-N 2 2 338.499 3.631 50 0 EHAALP C[NH+](Cc1cc(C2CC2)n[nH]1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000244811462 564052334 /nfs/dbraw/zinc/05/23/34/564052334.db2.gz SDEJPNYIXBOPHT-SFHVURJKSA-N 2 2 338.499 3.631 50 0 EHAALP C[NH+](Cc1cc(C2CC2)n[nH]1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000244811462 564052335 /nfs/dbraw/zinc/05/23/35/564052335.db2.gz SDEJPNYIXBOPHT-SFHVURJKSA-N 2 2 338.499 3.631 50 0 EHAALP CCSC1(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CCOCC1 ZINC000084046833 564065874 /nfs/dbraw/zinc/06/58/74/564065874.db2.gz HCCAYGIOLYGJEN-UHFFFAOYSA-N 2 2 345.512 3.573 50 0 EHAALP C[N@@H+]1CC[C@H](C[NH2+]C2CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136196972 564066367 /nfs/dbraw/zinc/06/63/67/564066367.db2.gz CTHBCLQYGKXSJR-DYVFJYSZSA-N 2 2 342.911 3.957 50 0 EHAALP C[N@H+]1CC[C@H](C[NH2+]C2CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136196972 564066368 /nfs/dbraw/zinc/06/63/68/564066368.db2.gz CTHBCLQYGKXSJR-DYVFJYSZSA-N 2 2 342.911 3.957 50 0 EHAALP CC(C)(C)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc4c3OCO4)C2)C1 ZINC000012072616 1129326543 /nfs/dbraw/zinc/32/65/43/1129326543.db2.gz ICZJQRUEDXIZEF-OAQYLSRUSA-N 2 2 344.499 3.749 50 0 EHAALP CC(C)(C)C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc4c3OCO4)C2)C1 ZINC000012072616 1129326546 /nfs/dbraw/zinc/32/65/46/1129326546.db2.gz ICZJQRUEDXIZEF-OAQYLSRUSA-N 2 2 344.499 3.749 50 0 EHAALP CC(C)(C)C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc4c3OCO4)C2)C1 ZINC000012072616 1129326550 /nfs/dbraw/zinc/32/65/50/1129326550.db2.gz ICZJQRUEDXIZEF-OAQYLSRUSA-N 2 2 344.499 3.749 50 0 EHAALP CC(C)(C)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc4c3OCO4)C2)C1 ZINC000012072616 1129326553 /nfs/dbraw/zinc/32/65/53/1129326553.db2.gz ICZJQRUEDXIZEF-OAQYLSRUSA-N 2 2 344.499 3.749 50 0 EHAALP C(=C\C[N@@H+]1CCc2sccc2C1)\C[NH+]1CCc2sccc2C1 ZINC000222110250 1137180897 /nfs/dbraw/zinc/18/08/97/1137180897.db2.gz XYLADRIERMMLMQ-UPHRSURJSA-N 2 2 330.522 3.782 50 0 EHAALP C(=C\C[N@H+]1CCc2sccc2C1)\C[NH+]1CCc2sccc2C1 ZINC000222110250 1137180899 /nfs/dbraw/zinc/18/08/99/1137180899.db2.gz XYLADRIERMMLMQ-UPHRSURJSA-N 2 2 330.522 3.782 50 0 EHAALP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc([C@@H]3CCCCO3)o2)CC1 ZINC000097717426 219050446 /nfs/dbraw/zinc/05/04/46/219050446.db2.gz KLFZAEYRMXEVSH-IBGZPJMESA-N 2 2 341.455 3.547 50 0 EHAALP C[NH+](C)CC[NH2+]CC[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000020548611 212146503 /nfs/dbraw/zinc/14/65/03/212146503.db2.gz KRSFVMWBUGYVDM-VQTJNVASSA-N 2 2 332.532 3.592 50 0 EHAALP c1csc(-c2n[nH]cc2C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000078612743 217087661 /nfs/dbraw/zinc/08/76/61/217087661.db2.gz BAROKXVOTMIKST-UHFFFAOYSA-N 2 2 335.436 3.614 50 0 EHAALP COc1cccc(F)c1[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000096478601 563955003 /nfs/dbraw/zinc/95/50/03/563955003.db2.gz PIWAKXSNQWYGTL-CQSZACIVSA-N 2 2 329.419 3.549 50 0 EHAALP c1coc(-c2ncc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cn2)c1 ZINC000077469896 563969797 /nfs/dbraw/zinc/96/97/97/563969797.db2.gz HYENRSXGGOXDDL-SFHVURJKSA-N 2 2 340.471 3.577 50 0 EHAALP c1coc(-c2ncc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cn2)c1 ZINC000077469896 563969798 /nfs/dbraw/zinc/96/97/98/563969798.db2.gz HYENRSXGGOXDDL-SFHVURJKSA-N 2 2 340.471 3.577 50 0 EHAALP c1c(CC[NH2+][C@H](c2ccccc2)c2ccncc2)[nH+]c2ccccn12 ZINC000097233869 563970781 /nfs/dbraw/zinc/97/07/81/563970781.db2.gz XYZPTVSIPQRAEH-OAQYLSRUSA-N 2 2 328.419 3.651 50 0 EHAALP Cc1ccc(NC[C@H]2CC[N@H+](Cc3ncc(C(C)(C)C)o3)C2)[nH+]c1 ZINC000065466241 563998218 /nfs/dbraw/zinc/99/82/18/563998218.db2.gz LLPFKIWGROQBEG-OAHLLOKOSA-N 2 2 328.460 3.610 50 0 EHAALP Cc1ccc(NC[C@H]2CC[N@@H+](Cc3ncc(C(C)(C)C)o3)C2)[nH+]c1 ZINC000065466241 563998219 /nfs/dbraw/zinc/99/82/19/563998219.db2.gz LLPFKIWGROQBEG-OAHLLOKOSA-N 2 2 328.460 3.610 50 0 EHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cn1 ZINC000048782276 564032212 /nfs/dbraw/zinc/03/22/12/564032212.db2.gz OUFURNGUQCTFJR-UHFFFAOYSA-N 2 2 346.356 3.884 50 0 EHAALP COc1ccc(-c2[nH+]ccn2[C@H]2CC[C@@H]([NH3+])CC2)c(Cl)c1OC ZINC000248181895 564089259 /nfs/dbraw/zinc/08/92/59/564089259.db2.gz DZMJDLSIHMCWBL-TXEJJXNPSA-N 2 2 335.835 3.663 50 0 EHAALP CC(C)Cc1nnc([C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000095395018 564139419 /nfs/dbraw/zinc/13/94/19/564139419.db2.gz AWCLOIWSNZJAMV-KRWDZBQOSA-N 2 2 348.535 3.917 50 0 EHAALP c1cn(-c2ccccc2C[NH2+]Cc2ccc([C@H]3CCCCO3)o2)c[nH+]1 ZINC000952960266 1137483619 /nfs/dbraw/zinc/48/36/19/1137483619.db2.gz VIWUQXWBGOROTE-LJQANCHMSA-N 2 2 337.423 3.997 50 0 EHAALP c1cc(-c2nc(C[NH2+]CCc3cn4c([nH+]3)CCCC4)cs2)cs1 ZINC000097922860 219059574 /nfs/dbraw/zinc/05/95/74/219059574.db2.gz RKFWUIBZYSOKTI-UHFFFAOYSA-N 2 2 344.509 3.737 50 0 EHAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067908637 215246540 /nfs/dbraw/zinc/24/65/40/215246540.db2.gz VHBDYOAZFRZDNM-CYBMUJFWSA-N 2 2 344.365 3.527 50 0 EHAALP C[NH+]1CCC([N@H+](Cc2ccncc2)Cc2cc(F)cc(Cl)c2)CC1 ZINC000072132048 216020654 /nfs/dbraw/zinc/02/06/54/216020654.db2.gz MEDZOIKTMAJWNT-UHFFFAOYSA-N 2 2 347.865 3.971 50 0 EHAALP C[NH+]1CCC([N@@H+](Cc2ccncc2)Cc2cc(F)cc(Cl)c2)CC1 ZINC000072132048 216020656 /nfs/dbraw/zinc/02/06/56/216020656.db2.gz MEDZOIKTMAJWNT-UHFFFAOYSA-N 2 2 347.865 3.971 50 0 EHAALP COc1ccc(C[N@H+](C)Cc2csc(C)n2)cc1C[NH+]1CCCC1 ZINC000216254060 241176831 /nfs/dbraw/zinc/17/68/31/241176831.db2.gz WDONLBKROOFYSB-UHFFFAOYSA-N 2 2 345.512 3.688 50 0 EHAALP COc1ccc(C[N@@H+](C)Cc2csc(C)n2)cc1C[NH+]1CCCC1 ZINC000216254060 241176838 /nfs/dbraw/zinc/17/68/38/241176838.db2.gz WDONLBKROOFYSB-UHFFFAOYSA-N 2 2 345.512 3.688 50 0 EHAALP C=Cc1ccc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)[nH+]c1 ZINC000091426770 218004001 /nfs/dbraw/zinc/00/40/01/218004001.db2.gz CAMSSCNRZHLBKD-IBGZPJMESA-N 2 2 345.450 3.748 50 0 EHAALP COCCn1cc[nH+]c1[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000091808374 218069351 /nfs/dbraw/zinc/06/93/51/218069351.db2.gz PZGHAIGOKZGWSA-QGZVFWFLSA-N 2 2 345.512 3.501 50 0 EHAALP COCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000091808374 218069352 /nfs/dbraw/zinc/06/93/52/218069352.db2.gz PZGHAIGOKZGWSA-QGZVFWFLSA-N 2 2 345.512 3.501 50 0 EHAALP C[C@H]([NH2+]CC(=O)Nc1cc(N(C)C)[nH+]c2ccccc12)c1ccccc1 ZINC000095346039 218282421 /nfs/dbraw/zinc/28/24/21/218282421.db2.gz VZTATDIFAHAGEB-HNNXBMFYSA-N 2 2 348.450 3.590 50 0 EHAALP c1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)nc1 ZINC000004755608 210272632 /nfs/dbraw/zinc/27/26/32/210272632.db2.gz LCFIUIWCUVHYII-UHFFFAOYSA-N 2 2 335.455 3.529 50 0 EHAALP c1cnn(Cc2ccccc2C[N@H+]2CCCC[C@H]2CCn2cc[nH+]c2)c1 ZINC000077406559 563969403 /nfs/dbraw/zinc/96/94/03/563969403.db2.gz LPKZXBXRUOFEHC-NRFANRHFSA-N 2 2 349.482 3.573 50 0 EHAALP c1cnn(Cc2ccccc2C[N@@H+]2CCCC[C@H]2CCn2cc[nH+]c2)c1 ZINC000077406559 563969404 /nfs/dbraw/zinc/96/94/04/563969404.db2.gz LPKZXBXRUOFEHC-NRFANRHFSA-N 2 2 349.482 3.573 50 0 EHAALP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCSc1ccccc1 ZINC000252486168 563997753 /nfs/dbraw/zinc/99/77/53/563997753.db2.gz GFDXIFPRYFCMGT-YLJYHZDGSA-N 2 2 341.524 3.674 50 0 EHAALP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCSc1ccccc1 ZINC000252486168 563997754 /nfs/dbraw/zinc/99/77/54/563997754.db2.gz GFDXIFPRYFCMGT-YLJYHZDGSA-N 2 2 341.524 3.674 50 0 EHAALP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)o1 ZINC000221892922 564036565 /nfs/dbraw/zinc/03/65/65/564036565.db2.gz OBXJKMIFYULFOV-IRXDYDNUSA-N 2 2 328.456 3.660 50 0 EHAALP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)o1 ZINC000221892922 564036566 /nfs/dbraw/zinc/03/65/66/564036566.db2.gz OBXJKMIFYULFOV-IRXDYDNUSA-N 2 2 328.456 3.660 50 0 EHAALP C[C@H](c1ccc(-c2ccc(-n3cc[nH+]c3)nn2)cc1)[NH+]1CCCCC1 ZINC000426578730 564094138 /nfs/dbraw/zinc/09/41/38/564094138.db2.gz ORGYYZUOKJVGDR-MRXNPFEDSA-N 2 2 333.439 3.876 50 0 EHAALP Clc1nc2ccccc2cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000065575515 564107630 /nfs/dbraw/zinc/10/76/30/564107630.db2.gz FWQLCQXAMCYCFG-MRXNPFEDSA-N 2 2 326.831 3.922 50 0 EHAALP Clc1nc2ccccc2cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000065575515 564107631 /nfs/dbraw/zinc/10/76/31/564107631.db2.gz FWQLCQXAMCYCFG-MRXNPFEDSA-N 2 2 326.831 3.922 50 0 EHAALP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000069738564 564171809 /nfs/dbraw/zinc/17/18/09/564171809.db2.gz INBOIUNPBGMQDD-MRXNPFEDSA-N 2 2 348.450 3.700 50 0 EHAALP c1csc(C[NH+]2CCC([NH2+][C@H]3CCc4ccccc4C3)CC2)c1 ZINC000829078394 1131447017 /nfs/dbraw/zinc/44/70/17/1131447017.db2.gz YFMPMRJDUUEYQV-IBGZPJMESA-N 2 2 326.509 3.860 50 0 EHAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(-c2ccccc2OC)s1 ZINC000952965051 1137484076 /nfs/dbraw/zinc/48/40/76/1137484076.db2.gz BLXXYJYMQWDUGN-CQSZACIVSA-N 2 2 342.468 3.584 50 0 EHAALP Cc1cc(C)n(-c2cccc(-c3[nH+]ccn3CCCn3cc[nH+]c3)c2)n1 ZINC000067727251 215197635 /nfs/dbraw/zinc/19/76/35/215197635.db2.gz XENVQROBJFVXDK-UHFFFAOYSA-N 2 2 346.438 3.639 50 0 EHAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000072146467 216033341 /nfs/dbraw/zinc/03/33/41/216033341.db2.gz ANNIWIPIAVGBCF-CYBMUJFWSA-N 2 2 339.270 3.806 50 0 EHAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000072146467 216033344 /nfs/dbraw/zinc/03/33/44/216033344.db2.gz ANNIWIPIAVGBCF-CYBMUJFWSA-N 2 2 339.270 3.806 50 0 EHAALP C[NH+](C)CC[C@H]1CCCC[N@@H+]1Cc1cnc(C2CCCCC2)nc1 ZINC000072453593 216241144 /nfs/dbraw/zinc/24/11/44/216241144.db2.gz SCQWKJGXVBMVQK-LJQANCHMSA-N 2 2 330.520 3.831 50 0 EHAALP C[NH+](C)CC[C@H]1CCCC[N@H+]1Cc1cnc(C2CCCCC2)nc1 ZINC000072453593 216241147 /nfs/dbraw/zinc/24/11/47/216241147.db2.gz SCQWKJGXVBMVQK-LJQANCHMSA-N 2 2 330.520 3.831 50 0 EHAALP c1sc(C[N@H+](Cc2ccccn2)C2CC2)cc1C[NH+]1CCCC1 ZINC000215582740 241133541 /nfs/dbraw/zinc/13/35/41/241133541.db2.gz BRDPGTKWZNSUGL-UHFFFAOYSA-N 2 2 327.497 3.904 50 0 EHAALP c1sc(C[N@@H+](Cc2ccccn2)C2CC2)cc1C[NH+]1CCCC1 ZINC000215582740 241133543 /nfs/dbraw/zinc/13/35/43/241133543.db2.gz BRDPGTKWZNSUGL-UHFFFAOYSA-N 2 2 327.497 3.904 50 0 EHAALP Cc1ccc([C@H](O)C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)cc1 ZINC000230218639 242254369 /nfs/dbraw/zinc/25/43/69/242254369.db2.gz QDNOXYSTUUWINT-BVYCBKJFSA-N 2 2 338.495 3.529 50 0 EHAALP Cc1ccc([C@H](O)C[NH2+][C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)cc1 ZINC000230218639 242254372 /nfs/dbraw/zinc/25/43/72/242254372.db2.gz QDNOXYSTUUWINT-BVYCBKJFSA-N 2 2 338.495 3.529 50 0 EHAALP CCc1ccccc1OCC[N@H+]1CCC[C@H](c2[nH+]ccn2CC)C1 ZINC000091665709 218044776 /nfs/dbraw/zinc/04/47/76/218044776.db2.gz NTVAUJIFQUJHGR-SFHVURJKSA-N 2 2 327.472 3.724 50 0 EHAALP CCc1ccccc1OCC[N@@H+]1CCC[C@H](c2[nH+]ccn2CC)C1 ZINC000091665709 218044777 /nfs/dbraw/zinc/04/47/77/218044777.db2.gz NTVAUJIFQUJHGR-SFHVURJKSA-N 2 2 327.472 3.724 50 0 EHAALP Cc1nc(C)c(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)s1 ZINC000097017136 563966768 /nfs/dbraw/zinc/96/67/68/563966768.db2.gz FXRCEJHSQSQBAM-UHFFFAOYSA-N 2 2 347.503 3.696 50 0 EHAALP C[N@H+](Cc1cc(-c2cccnc2)no1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000077455685 563969752 /nfs/dbraw/zinc/96/97/52/563969752.db2.gz LNNUMPAJTPPECK-UHFFFAOYSA-N 2 2 345.406 3.554 50 0 EHAALP C[N@@H+](Cc1cc(-c2cccnc2)no1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000077455685 563969753 /nfs/dbraw/zinc/96/97/53/563969753.db2.gz LNNUMPAJTPPECK-UHFFFAOYSA-N 2 2 345.406 3.554 50 0 EHAALP Cc1nc(N2CCC(c3[nH+]ccn3CC3CC3)CC2)cc(C(C)C)[nH+]1 ZINC000082121139 563972493 /nfs/dbraw/zinc/97/24/93/563972493.db2.gz ZBXQTECMBZFZDG-UHFFFAOYSA-N 2 2 339.487 3.899 50 0 EHAALP COc1ccc(F)cc1[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000237182415 564117737 /nfs/dbraw/zinc/11/77/37/564117737.db2.gz MYLWTRDIBZUQIV-AWEZNQCLSA-N 2 2 329.419 3.549 50 0 EHAALP COc1cccc2cc([C@H](C)[NH2+]CCc3cn4c([nH+]3)CCCC4)oc21 ZINC000095987791 564144007 /nfs/dbraw/zinc/14/40/07/564144007.db2.gz PVJXNBIMPKTRFY-AWEZNQCLSA-N 2 2 339.439 3.868 50 0 EHAALP CCn1cc(C[N@H+](C)Cc2cc(C[NH+]3CCCCC3)cs2)cn1 ZINC000670473519 564166381 /nfs/dbraw/zinc/16/63/81/564166381.db2.gz SCMORLJVBPWBJD-UHFFFAOYSA-N 2 2 332.517 3.582 50 0 EHAALP CCn1cc(C[N@@H+](C)Cc2cc(C[NH+]3CCCCC3)cs2)cn1 ZINC000670473519 564166382 /nfs/dbraw/zinc/16/63/82/564166382.db2.gz SCMORLJVBPWBJD-UHFFFAOYSA-N 2 2 332.517 3.582 50 0 EHAALP CCOc1ccc(OCC[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)cc1 ZINC000171523191 1034437433 /nfs/dbraw/zinc/43/74/33/1034437433.db2.gz FMXQXDAQLTUKPI-KRWDZBQOSA-N 2 2 343.471 3.560 50 0 EHAALP CCOc1ccc(OCC[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)cc1 ZINC000171523191 1034437446 /nfs/dbraw/zinc/43/74/46/1034437446.db2.gz FMXQXDAQLTUKPI-KRWDZBQOSA-N 2 2 343.471 3.560 50 0 EHAALP Cc1ccc2[nH]c(C[NH2+]Cc3cc(C[NH+]4CCCC4)cs3)nc2c1 ZINC000952869650 1137483029 /nfs/dbraw/zinc/48/30/29/1137483029.db2.gz KWYPNPGKXBSOEA-UHFFFAOYSA-N 2 2 340.496 3.818 50 0 EHAALP Cc1ccc2nc(C[NH2+]Cc3cc(C[NH+]4CCCC4)cs3)[nH]c2c1 ZINC000952869650 1137483030 /nfs/dbraw/zinc/48/30/30/1137483030.db2.gz KWYPNPGKXBSOEA-UHFFFAOYSA-N 2 2 340.496 3.818 50 0 EHAALP C/C(=C\c1ccco1)C[N@H+](CCCn1cc[nH+]c1)Cc1cccnc1 ZINC000055243140 214293484 /nfs/dbraw/zinc/29/34/84/214293484.db2.gz JWPQZXFQGBRHNV-QGOAFFKASA-N 2 2 336.439 3.867 50 0 EHAALP C/C(=C\c1ccco1)C[N@@H+](CCCn1cc[nH+]c1)Cc1cccnc1 ZINC000055243140 214293488 /nfs/dbraw/zinc/29/34/88/214293488.db2.gz JWPQZXFQGBRHNV-QGOAFFKASA-N 2 2 336.439 3.867 50 0 EHAALP COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000025356091 212475688 /nfs/dbraw/zinc/47/56/88/212475688.db2.gz BSODGRRHZBWELH-HNNXBMFYSA-N 2 2 337.423 3.740 50 0 EHAALP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(-n3cc[nH+]c3)c2c1C ZINC000023245575 212363484 /nfs/dbraw/zinc/36/34/84/212363484.db2.gz GBIGCTWHMSUNKP-UHFFFAOYSA-N 2 2 341.484 3.726 50 0 EHAALP [NH3+]CC[NH2+][C@H](c1ccc(Cl)cc1)c1ccccc1C(F)(F)F ZINC000022917525 212334447 /nfs/dbraw/zinc/33/44/47/212334447.db2.gz TURCTTRGNGELIE-OAHLLOKOSA-N 2 2 328.765 3.997 50 0 EHAALP Cc1cc(C)nc(Cn2cc[nH+]c2-c2cccc([C@@H](C)[NH+](C)C)c2)n1 ZINC000071735942 563964908 /nfs/dbraw/zinc/96/49/08/563964908.db2.gz XXZKCLHPGYXHNP-MRXNPFEDSA-N 2 2 335.455 3.628 50 0 EHAALP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc(C)o1 ZINC000006173219 563976389 /nfs/dbraw/zinc/97/63/89/563976389.db2.gz QAWBKSWJASOXGS-UHFFFAOYSA-N 2 2 326.444 3.892 50 0 EHAALP C[C@H](CCc1cccn1C)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000108357959 564028142 /nfs/dbraw/zinc/02/81/42/564028142.db2.gz MQPAAUFQRLSRCG-GGPKGHCWSA-N 2 2 325.500 3.771 50 0 EHAALP C[C@H](CCc1cccn1C)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000108357959 564028143 /nfs/dbraw/zinc/02/81/43/564028143.db2.gz MQPAAUFQRLSRCG-GGPKGHCWSA-N 2 2 325.500 3.771 50 0 EHAALP CCc1cnc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)s1 ZINC000561985694 564073015 /nfs/dbraw/zinc/07/30/15/564073015.db2.gz IICMWBCGUBZFLP-HKUYNNGSSA-N 2 2 338.480 3.920 50 0 EHAALP Cc1ccc(C[N@@H+]2CC[C@@H](Cn3c(C)c[nH+]c3-c3ccncc3)C2)o1 ZINC000581813630 1132376719 /nfs/dbraw/zinc/37/67/19/1132376719.db2.gz AEGILTFLJNQPOV-QGZVFWFLSA-N 2 2 336.439 3.677 50 0 EHAALP Cc1ccc(C[N@H+]2CC[C@@H](Cn3c(C)c[nH+]c3-c3ccncc3)C2)o1 ZINC000581813630 1132376725 /nfs/dbraw/zinc/37/67/25/1132376725.db2.gz AEGILTFLJNQPOV-QGZVFWFLSA-N 2 2 336.439 3.677 50 0 EHAALP c1cncc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)c1 ZINC000055154744 214279919 /nfs/dbraw/zinc/27/99/19/214279919.db2.gz UQTDUHFHDJPUHX-NRFANRHFSA-N 2 2 327.516 3.950 50 0 EHAALP c1cncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)c1 ZINC000055154744 214279922 /nfs/dbraw/zinc/27/99/22/214279922.db2.gz UQTDUHFHDJPUHX-NRFANRHFSA-N 2 2 327.516 3.950 50 0 EHAALP c1cncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCCCC2)C3)c1 ZINC000055154744 214279923 /nfs/dbraw/zinc/27/99/23/214279923.db2.gz UQTDUHFHDJPUHX-NRFANRHFSA-N 2 2 327.516 3.950 50 0 EHAALP c1cncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCCCC2)C3)c1 ZINC000055154744 214279926 /nfs/dbraw/zinc/27/99/26/214279926.db2.gz UQTDUHFHDJPUHX-NRFANRHFSA-N 2 2 327.516 3.950 50 0 EHAALP Cc1[nH]c2ccc(Cc3nc(C4CC4)nn3-c3cc[nH+]cc3C)cc2[nH+]1 ZINC000067742268 215201237 /nfs/dbraw/zinc/20/12/37/215201237.db2.gz YFVMNSVUIGRXSY-UHFFFAOYSA-N 2 2 344.422 3.624 50 0 EHAALP Cc1[nH]c2cc(Cc3nc(C4CC4)nn3-c3cc[nH+]cc3C)ccc2[nH+]1 ZINC000067742268 215201239 /nfs/dbraw/zinc/20/12/39/215201239.db2.gz YFVMNSVUIGRXSY-UHFFFAOYSA-N 2 2 344.422 3.624 50 0 EHAALP C[N@H+](Cc1ccc2c(c1)C[NH+](C)C2)Cc1cc2c(cc1Cl)OCO2 ZINC000215999850 241155976 /nfs/dbraw/zinc/15/59/76/241155976.db2.gz QZSXJUPVYKVJLP-UHFFFAOYSA-N 2 2 344.842 3.646 50 0 EHAALP C[N@@H+](Cc1ccc2c(c1)C[NH+](C)C2)Cc1cc2c(cc1Cl)OCO2 ZINC000215999850 241155981 /nfs/dbraw/zinc/15/59/81/241155981.db2.gz QZSXJUPVYKVJLP-UHFFFAOYSA-N 2 2 344.842 3.646 50 0 EHAALP C[NH+](Cc1ccc2c(c1)C[N@@H+](C)C2)Cc1cc2c(cc1Cl)OCO2 ZINC000215999850 241155987 /nfs/dbraw/zinc/15/59/87/241155987.db2.gz QZSXJUPVYKVJLP-UHFFFAOYSA-N 2 2 344.842 3.646 50 0 EHAALP C[NH+](Cc1ccc2c(c1)C[N@H+](C)C2)Cc1cc2c(cc1Cl)OCO2 ZINC000215999850 241155994 /nfs/dbraw/zinc/15/59/94/241155994.db2.gz QZSXJUPVYKVJLP-UHFFFAOYSA-N 2 2 344.842 3.646 50 0 EHAALP Fc1ccc(COc2ccccc2C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000010314005 563646826 /nfs/dbraw/zinc/64/68/26/563646826.db2.gz OCGYEHOUZOAICS-UHFFFAOYSA-N 2 2 339.414 3.781 50 0 EHAALP COc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000058030805 563936916 /nfs/dbraw/zinc/93/69/16/563936916.db2.gz ONNBHXUGNHGMBI-UHFFFAOYSA-N 2 2 325.387 3.618 50 0 EHAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(-c2ccccc2C)s1 ZINC000065370474 563958399 /nfs/dbraw/zinc/95/83/99/563958399.db2.gz OZOXGBNYTJJKPL-HNNXBMFYSA-N 2 2 326.469 3.883 50 0 EHAALP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCOc3ccccc32)CC1 ZINC000097057112 563967121 /nfs/dbraw/zinc/96/71/21/563967121.db2.gz HRGSVOWJLZWVEC-AWEZNQCLSA-N 2 2 342.405 3.559 50 0 EHAALP Cc1cc(N2CCCN(c3cc(C)c4ccccc4[nH+]3)CC2)cc[nH+]1 ZINC000077343003 563969083 /nfs/dbraw/zinc/96/90/83/563969083.db2.gz NODROZRDGBIDBD-UHFFFAOYSA-N 2 2 332.451 3.963 50 0 EHAALP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3ncc(C(C)(C)C)o3)C2)c1 ZINC000097200776 563973275 /nfs/dbraw/zinc/97/32/75/563973275.db2.gz DAJZCBVPJQMXRR-OAHLLOKOSA-N 2 2 328.460 3.610 50 0 EHAALP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3ncc(C(C)(C)C)o3)C2)c1 ZINC000097200776 563973276 /nfs/dbraw/zinc/97/32/76/563973276.db2.gz DAJZCBVPJQMXRR-OAHLLOKOSA-N 2 2 328.460 3.610 50 0 EHAALP CCCCn1cc[nH+]c1[C@@H]1CCCN(c2nc(C)[nH+]cc2CC)C1 ZINC000095516416 563977337 /nfs/dbraw/zinc/97/73/37/563977337.db2.gz ZGRFQCKKDJTOKR-QGZVFWFLSA-N 2 2 327.476 3.728 50 0 EHAALP c1ccc(NC[C@H]2CC[N@@H+](CCCc3nc4ccccc4o3)C2)[nH+]c1 ZINC000065466336 563998198 /nfs/dbraw/zinc/99/81/98/563998198.db2.gz ZUSWUSLUCODNNH-MRXNPFEDSA-N 2 2 336.439 3.589 50 0 EHAALP c1ccc(NC[C@H]2CC[N@H+](CCCc3nc4ccccc4o3)C2)[nH+]c1 ZINC000065466336 563998199 /nfs/dbraw/zinc/99/81/99/563998199.db2.gz ZUSWUSLUCODNNH-MRXNPFEDSA-N 2 2 336.439 3.589 50 0 EHAALP Cc1ccc(NC[C@@H]2CC[N@H+](Cc3ncc(C(C)(C)C)o3)C2)[nH+]c1 ZINC000065466237 563998227 /nfs/dbraw/zinc/99/82/27/563998227.db2.gz LLPFKIWGROQBEG-HNNXBMFYSA-N 2 2 328.460 3.610 50 0 EHAALP Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3ncc(C(C)(C)C)o3)C2)[nH+]c1 ZINC000065466237 563998228 /nfs/dbraw/zinc/99/82/28/563998228.db2.gz LLPFKIWGROQBEG-HNNXBMFYSA-N 2 2 328.460 3.610 50 0 EHAALP CN(C)c1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC000239637053 564088178 /nfs/dbraw/zinc/08/81/78/564088178.db2.gz BIOFVXQBHPEJCN-OWZKRDHZSA-N 2 2 336.483 3.755 50 0 EHAALP CN(C)c1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC000239637053 564088179 /nfs/dbraw/zinc/08/81/79/564088179.db2.gz BIOFVXQBHPEJCN-OWZKRDHZSA-N 2 2 336.483 3.755 50 0 EHAALP C[C@@H]([NH2+]C[C@H]1CCCn2cc(C(C)(C)C)[nH+]c21)c1nc(C2CC2)no1 ZINC000089913635 564115251 /nfs/dbraw/zinc/11/52/51/564115251.db2.gz HISGDSNTYICREI-TZMCWYRMSA-N 2 2 343.475 3.669 50 0 EHAALP Cc1noc(C)c1C[N@@H+](C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000823702943 1131079275 /nfs/dbraw/zinc/07/92/75/1131079275.db2.gz LLBHYGUCDWKOJJ-UHFFFAOYSA-N 2 2 333.501 3.971 50 0 EHAALP C[NH+](C)CC[NH2+]CCCCOc1ccc(Cc2ccccc2)cc1 ZINC000020418746 212126751 /nfs/dbraw/zinc/12/67/51/212126751.db2.gz XMYLAJNKAKRAJE-UHFFFAOYSA-N 2 2 326.484 3.588 50 0 EHAALP Clc1ccccc1C[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000078394252 217047003 /nfs/dbraw/zinc/04/70/03/217047003.db2.gz QBRPXQGLHCTVNL-UHFFFAOYSA-N 2 2 329.875 3.532 50 0 EHAALP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)co2)cc1F ZINC000080961334 217344111 /nfs/dbraw/zinc/34/41/11/217344111.db2.gz UGPIMUXLEUAYRV-CYBMUJFWSA-N 2 2 344.365 3.723 50 0 EHAALP Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)co2)cc1F ZINC000080961334 217344115 /nfs/dbraw/zinc/34/41/15/217344115.db2.gz UGPIMUXLEUAYRV-CYBMUJFWSA-N 2 2 344.365 3.723 50 0 EHAALP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000071911961 563591391 /nfs/dbraw/zinc/59/13/91/563591391.db2.gz DZCZYYSMYBFGIL-OAHLLOKOSA-N 2 2 330.476 3.957 50 0 EHAALP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000071911961 563591393 /nfs/dbraw/zinc/59/13/93/563591393.db2.gz DZCZYYSMYBFGIL-OAHLLOKOSA-N 2 2 330.476 3.957 50 0 EHAALP c1csc(-c2n[nH]cc2C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000030902006 563911638 /nfs/dbraw/zinc/91/16/38/563911638.db2.gz XWDIJSMKUXZRMW-UHFFFAOYSA-N 2 2 349.463 3.673 50 0 EHAALP Cc1c[nH+]ccc1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121669539 564084650 /nfs/dbraw/zinc/08/46/50/564084650.db2.gz MEXCNQJSCKEVGS-UHFFFAOYSA-N 2 2 338.455 3.518 50 0 EHAALP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Cc1cccs1 ZINC000239882018 564088243 /nfs/dbraw/zinc/08/82/43/564088243.db2.gz CZVJSCKEANEKML-SQGPQFPESA-N 2 2 343.540 3.822 50 0 EHAALP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Cc1cccs1 ZINC000239882018 564088244 /nfs/dbraw/zinc/08/82/44/564088244.db2.gz CZVJSCKEANEKML-SQGPQFPESA-N 2 2 343.540 3.822 50 0 EHAALP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000170616905 564110036 /nfs/dbraw/zinc/11/00/36/564110036.db2.gz GVTNLEHKSHDTKK-GRDNDAEWSA-N 2 2 326.444 3.572 50 0 EHAALP Cc1cc(N2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000027545346 564132103 /nfs/dbraw/zinc/13/21/03/564132103.db2.gz AIFCYYDJSRSOBG-MRXNPFEDSA-N 2 2 342.462 3.931 50 0 EHAALP C[N@@H+]1CCC[C@@H]1CCn1cc[nH+]c1-c1ccc(Oc2ncccn2)cc1 ZINC000067739521 215199479 /nfs/dbraw/zinc/19/94/79/215199479.db2.gz ZHATWUXFTAQEAI-QGZVFWFLSA-N 2 2 349.438 3.617 50 0 EHAALP C[N@H+]1CCC[C@@H]1CCn1cc[nH+]c1-c1ccc(Oc2ncccn2)cc1 ZINC000067739521 215199483 /nfs/dbraw/zinc/19/94/83/215199483.db2.gz ZHATWUXFTAQEAI-QGZVFWFLSA-N 2 2 349.438 3.617 50 0 EHAALP [NH3+]CC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccc1C(F)(F)F ZINC000022917520 212334407 /nfs/dbraw/zinc/33/44/07/212334407.db2.gz TURCTTRGNGELIE-HNNXBMFYSA-N 2 2 328.765 3.997 50 0 EHAALP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000170616904 226658729 /nfs/dbraw/zinc/65/87/29/226658729.db2.gz GVTNLEHKSHDTKK-JKIFEVAISA-N 2 2 326.444 3.572 50 0 EHAALP COc1ccc(OC)c(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000025356161 563883688 /nfs/dbraw/zinc/88/36/88/563883688.db2.gz NVFZKESOVFLUPR-OAHLLOKOSA-N 2 2 337.423 3.740 50 0 EHAALP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Cc1cccs1 ZINC000097017126 563966786 /nfs/dbraw/zinc/96/67/86/563966786.db2.gz CZVJSCKEANEKML-ZWOKBUDYSA-N 2 2 343.540 3.822 50 0 EHAALP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Cc1cccs1 ZINC000097017126 563966787 /nfs/dbraw/zinc/96/67/87/563966787.db2.gz CZVJSCKEANEKML-ZWOKBUDYSA-N 2 2 343.540 3.822 50 0 EHAALP CCCCn1cc[nH+]c1[C@H]1CCCN(c2nc(C)[nH+]cc2CC)C1 ZINC000095516417 563977315 /nfs/dbraw/zinc/97/73/15/563977315.db2.gz ZGRFQCKKDJTOKR-KRWDZBQOSA-N 2 2 327.476 3.728 50 0 EHAALP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)Cc2ccsc2)CC1 ZINC000090667682 564085809 /nfs/dbraw/zinc/08/58/09/564085809.db2.gz CQIMUYSRYCMGAF-JKSUJKDBSA-N 2 2 329.513 3.889 50 0 EHAALP Cc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)[nH+]c2ccccc12 ZINC000069655618 564171180 /nfs/dbraw/zinc/17/11/80/564171180.db2.gz DUUJPMHSFGDDMC-UHFFFAOYSA-N 2 2 347.462 3.988 50 0 EHAALP Fc1ccc(-c2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)on2)cc1 ZINC000367861352 1127436347 /nfs/dbraw/zinc/43/63/47/1127436347.db2.gz AFUPJXNKUNUWCV-QGZVFWFLSA-N 2 2 339.370 3.529 50 0 EHAALP Fc1ccc(-c2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)on2)cc1 ZINC000367861352 1127436349 /nfs/dbraw/zinc/43/63/49/1127436349.db2.gz AFUPJXNKUNUWCV-QGZVFWFLSA-N 2 2 339.370 3.529 50 0 EHAALP COc1ccc(-c2[nH+]ccn2CCCn2cc[nH+]c2)c2ccccc12 ZINC000067805580 215218727 /nfs/dbraw/zinc/21/87/27/215218727.db2.gz JKWVLMPLFMZKTH-UHFFFAOYSA-N 2 2 332.407 3.999 50 0 EHAALP Cc1ccc(C)c(-c2n[nH]cc2C[NH+]2CCC(c3[nH+]ccn3C)CC2)c1 ZINC000215310420 241117858 /nfs/dbraw/zinc/11/78/58/241117858.db2.gz WQHWJBUDRPBZNS-UHFFFAOYSA-N 2 2 349.482 3.807 50 0 EHAALP CCc1c[nH+]c(C)nc1N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091965723 218095967 /nfs/dbraw/zinc/09/59/67/218095967.db2.gz HQFAXIOXKYALLO-UHFFFAOYSA-N 2 2 339.487 3.728 50 0 EHAALP Fc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095405693 218341342 /nfs/dbraw/zinc/34/13/42/218341342.db2.gz MAWOPGYTFFWMKE-LBPRGKRZSA-N 2 2 338.224 3.691 50 0 EHAALP Fc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095405693 218341344 /nfs/dbraw/zinc/34/13/44/218341344.db2.gz MAWOPGYTFFWMKE-LBPRGKRZSA-N 2 2 338.224 3.691 50 0 EHAALP C[C@@H]([NH2+]C1(C[NH2+]C(C2CC2)C2CC2)CCOCC1)c1ccccc1 ZINC000095422919 218364819 /nfs/dbraw/zinc/36/48/19/218364819.db2.gz UOJRYGFLSUNBGV-MRXNPFEDSA-N 2 2 328.500 3.665 50 0 EHAALP COc1ccc(C[NH+]2CCC([NH+]3CCCCCC3)CC2)cc1OC ZINC000000207657 563260042 /nfs/dbraw/zinc/26/00/42/563260042.db2.gz BSRWGPMRYOYXDM-UHFFFAOYSA-N 2 2 332.488 3.544 50 0 EHAALP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000097016429 563966748 /nfs/dbraw/zinc/96/67/48/563966748.db2.gz GFDXIFPRYFCMGT-XLIONFOSSA-N 2 2 341.524 3.674 50 0 EHAALP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000097016429 563966749 /nfs/dbraw/zinc/96/67/49/563966749.db2.gz GFDXIFPRYFCMGT-XLIONFOSSA-N 2 2 341.524 3.674 50 0 EHAALP Fc1ccc2cc[nH+]c(NC3CC[NH+](Cc4ccccn4)CC3)c2c1 ZINC000340264858 563991834 /nfs/dbraw/zinc/99/18/34/563991834.db2.gz QWUSCJFAPDHBPV-UHFFFAOYSA-N 2 2 336.414 3.845 50 0 EHAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC000089735569 564113459 /nfs/dbraw/zinc/11/34/59/564113459.db2.gz ZFRHDDISEZHUNT-SFHVURJKSA-N 2 2 338.480 3.980 50 0 EHAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC000089735569 564113460 /nfs/dbraw/zinc/11/34/60/564113460.db2.gz ZFRHDDISEZHUNT-SFHVURJKSA-N 2 2 338.480 3.980 50 0 EHAALP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000089794005 564113837 /nfs/dbraw/zinc/11/38/37/564113837.db2.gz OTGFMCCBGKTXES-UHFFFAOYSA-N 2 2 349.400 3.855 50 0 EHAALP C[C@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1F ZINC000095968745 564143278 /nfs/dbraw/zinc/14/32/78/564143278.db2.gz VEBKAMIMRRHYEF-OAHLLOKOSA-N 2 2 345.437 3.718 50 0 EHAALP CCOc1cc(C)ccc1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000095969298 564143351 /nfs/dbraw/zinc/14/33/51/564143351.db2.gz ONZPWVILDFMBCS-UHFFFAOYSA-N 2 2 339.483 3.543 50 0 EHAALP CC(C)(CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)C[NH+]1CCCC1 ZINC000072143190 216029003 /nfs/dbraw/zinc/02/90/03/216029003.db2.gz AABNLXCJGUZJFC-UHFFFAOYSA-N 2 2 349.950 3.580 50 0 EHAALP CC(C)(C[NH+]1CCCC1)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000072143190 216029004 /nfs/dbraw/zinc/02/90/04/216029004.db2.gz AABNLXCJGUZJFC-UHFFFAOYSA-N 2 2 349.950 3.580 50 0 EHAALP CCOc1cc(-c2[nH+]ccn2[C@@H]2CC[NH2+]C2)cc(Cl)c1OCC ZINC000072453451 216241100 /nfs/dbraw/zinc/24/11/00/216241100.db2.gz WRMMWJAKNIUXOW-CYBMUJFWSA-N 2 2 335.835 3.535 50 0 EHAALP COc1ccnc(C[NH+]2CCC(c3[nH]c4c(cccc4C)[nH+]3)CC2)c1 ZINC000244647044 243051935 /nfs/dbraw/zinc/05/19/35/243051935.db2.gz GUDCLODGMSQNGW-UHFFFAOYSA-N 2 2 336.439 3.655 50 0 EHAALP COc1ccnc(C[NH+]2CCC(c3[nH]c4cccc(C)c4[nH+]3)CC2)c1 ZINC000244647044 243051938 /nfs/dbraw/zinc/05/19/38/243051938.db2.gz GUDCLODGMSQNGW-UHFFFAOYSA-N 2 2 336.439 3.655 50 0 EHAALP CCCCc1[nH]c(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)c[nH+]1 ZINC000019811611 212070630 /nfs/dbraw/zinc/07/06/30/212070630.db2.gz WYFXUANBAICZGS-HXUWFJFHSA-N 2 2 340.515 3.849 50 0 EHAALP CCCCc1[nH]c(CN2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c[nH+]1 ZINC000019811611 212070633 /nfs/dbraw/zinc/07/06/33/212070633.db2.gz WYFXUANBAICZGS-HXUWFJFHSA-N 2 2 340.515 3.849 50 0 EHAALP CCCCc1[nH]cc(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)[nH+]1 ZINC000019811611 212070635 /nfs/dbraw/zinc/07/06/35/212070635.db2.gz WYFXUANBAICZGS-HXUWFJFHSA-N 2 2 340.515 3.849 50 0 EHAALP CCCCc1[nH]cc(CN2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)[nH+]1 ZINC000019811611 212070638 /nfs/dbraw/zinc/07/06/38/212070638.db2.gz WYFXUANBAICZGS-HXUWFJFHSA-N 2 2 340.515 3.849 50 0 EHAALP CN(CCC[NH+](C)C)[C@H]1CCC[N@H+](C/C(Cl)=C/c2ccccc2)C1 ZINC000019745408 212060239 /nfs/dbraw/zinc/06/02/39/212060239.db2.gz GYPJMDVGBNXTFW-YKRMCXMESA-N 2 2 349.950 3.614 50 0 EHAALP CN(CCC[NH+](C)C)[C@H]1CCC[N@@H+](C/C(Cl)=C/c2ccccc2)C1 ZINC000019745408 212060241 /nfs/dbraw/zinc/06/02/41/212060241.db2.gz GYPJMDVGBNXTFW-YKRMCXMESA-N 2 2 349.950 3.614 50 0 EHAALP CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc(C[NH+](C)C)cs1)C2 ZINC000091738085 218055713 /nfs/dbraw/zinc/05/57/13/218055713.db2.gz ANTLEGXXQKJRFO-PKOBYXMFSA-N 2 2 347.572 3.672 50 0 EHAALP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc(C[NH+](C)C)cs1)C2 ZINC000091738085 218055715 /nfs/dbraw/zinc/05/57/15/218055715.db2.gz ANTLEGXXQKJRFO-PKOBYXMFSA-N 2 2 347.572 3.672 50 0 EHAALP Cc1c[nH]c(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)[nH+]1 ZINC000011661954 211229209 /nfs/dbraw/zinc/22/92/09/211229209.db2.gz AHVVDVBCPJGARC-FQEVSTJZSA-N 2 2 330.520 3.586 50 0 EHAALP Cc1c[nH]c(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)[nH+]1 ZINC000011661954 211229214 /nfs/dbraw/zinc/22/92/14/211229214.db2.gz AHVVDVBCPJGARC-FQEVSTJZSA-N 2 2 330.520 3.586 50 0 EHAALP Cc1noc([C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C(C)C)n1 ZINC000168005711 534443098 /nfs/dbraw/zinc/44/30/98/534443098.db2.gz BDXDAQLGZZDSMX-ACJLOTCBSA-N 2 2 339.443 3.920 50 0 EHAALP CCCN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000095506951 563977178 /nfs/dbraw/zinc/97/71/78/563977178.db2.gz CQDRVEVFOIELEH-UHFFFAOYSA-N 2 2 344.528 3.539 50 0 EHAALP CCn1ncc(C[N@@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)c1C ZINC000426563500 563996313 /nfs/dbraw/zinc/99/63/13/563996313.db2.gz QTCSVMXPBUJQGB-UHFFFAOYSA-N 2 2 332.517 3.501 50 0 EHAALP CCn1ncc(C[N@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)c1C ZINC000426563500 563996312 /nfs/dbraw/zinc/99/63/12/563996312.db2.gz QTCSVMXPBUJQGB-UHFFFAOYSA-N 2 2 332.517 3.501 50 0 EHAALP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[N@H+](C)Cc1cncs1 ZINC000092017567 564088814 /nfs/dbraw/zinc/08/88/14/564088814.db2.gz MWHWBCWKZINHLA-HZPDHXFCSA-N 2 2 329.513 3.732 50 0 EHAALP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[N@@H+](C)Cc1cncs1 ZINC000092017567 564088815 /nfs/dbraw/zinc/08/88/15/564088815.db2.gz MWHWBCWKZINHLA-HZPDHXFCSA-N 2 2 329.513 3.732 50 0 EHAALP C[C@H](C[NH2+]C1CCC(O)(c2cccc(Cl)c2)CC1)Cn1cc[nH+]c1 ZINC000170081758 564105373 /nfs/dbraw/zinc/10/53/73/564105373.db2.gz DGONOUVGASOPPI-VNCLNFNDSA-N 2 2 347.890 3.593 50 0 EHAALP CC(C)c1nc([C@H]2CCCN(c3cccc[nH+]3)C2)n(-c2cc[nH+]cc2)n1 ZINC000584886499 564131479 /nfs/dbraw/zinc/13/14/79/564131479.db2.gz LQLRAFZBNHKETB-INIZCTEOSA-N 2 2 348.454 3.565 50 0 EHAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1nc3ccccc3n1C(C)C)CCC2 ZINC000095402066 564139519 /nfs/dbraw/zinc/13/95/19/564139519.db2.gz BAYNFZCYWBLPKF-MRXNPFEDSA-N 2 2 337.471 3.789 50 0 EHAALP CC[NH+]1CCN(c2c(C(=O)c3ccccc3)c[nH+]c3ccccc32)CC1 ZINC000021158480 564143698 /nfs/dbraw/zinc/14/36/98/564143698.db2.gz YRYOGELKULXFIU-UHFFFAOYSA-N 2 2 345.446 3.608 50 0 EHAALP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCCn3cc[nH+]c3)c2)o1 ZINC000069876012 564172616 /nfs/dbraw/zinc/17/26/16/564172616.db2.gz XYXYOQJEHAZICO-MRXNPFEDSA-N 2 2 325.412 3.714 50 0 EHAALP Cc1c[nH+]c([C@H]2CC[N@@H+](Cc3cccnc3)C2)n1Cc1ccccc1 ZINC000169791953 1032661706 /nfs/dbraw/zinc/66/17/06/1032661706.db2.gz STEKGVIJRAHVIK-FQEVSTJZSA-N 2 2 332.451 3.624 50 0 EHAALP COc1ccc(F)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)c1 ZINC000011998138 1129248139 /nfs/dbraw/zinc/24/81/39/1129248139.db2.gz AYZPZOJESPSTGE-NRFANRHFSA-N 2 2 346.490 3.922 50 0 EHAALP COc1ccc(F)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)c1 ZINC000011998138 1129248143 /nfs/dbraw/zinc/24/81/43/1129248143.db2.gz AYZPZOJESPSTGE-NRFANRHFSA-N 2 2 346.490 3.922 50 0 EHAALP COc1ccc(F)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)c1 ZINC000011998138 1129248148 /nfs/dbraw/zinc/24/81/48/1129248148.db2.gz AYZPZOJESPSTGE-NRFANRHFSA-N 2 2 346.490 3.922 50 0 EHAALP COc1ccc(F)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)c1 ZINC000011998138 1129248151 /nfs/dbraw/zinc/24/81/51/1129248151.db2.gz AYZPZOJESPSTGE-NRFANRHFSA-N 2 2 346.490 3.922 50 0 EHAALP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000072164945 216054563 /nfs/dbraw/zinc/05/45/63/216054563.db2.gz GCMAUOMMBFGCJE-LJQANCHMSA-N 3 2 348.494 3.519 50 0 EHAALP [NH3+]CCc1cccc(C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000072164945 216054564 /nfs/dbraw/zinc/05/45/64/216054564.db2.gz GCMAUOMMBFGCJE-LJQANCHMSA-N 3 2 348.494 3.519 50 0 EHAALP C[NH+](C)Cc1csc(C[N@@H+]2CCC[C@H](C(=O)c3ccccc3)C2)c1 ZINC000072475410 216253371 /nfs/dbraw/zinc/25/33/71/216253371.db2.gz SXADKNIPWFKZAT-SFHVURJKSA-N 2 2 342.508 3.905 50 0 EHAALP C[NH+](C)Cc1csc(C[N@H+]2CCC[C@H](C(=O)c3ccccc3)C2)c1 ZINC000072475410 216253374 /nfs/dbraw/zinc/25/33/74/216253374.db2.gz SXADKNIPWFKZAT-SFHVURJKSA-N 2 2 342.508 3.905 50 0 EHAALP CCn1cc[nH+]c1CN(C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000215458606 241125736 /nfs/dbraw/zinc/12/57/36/241125736.db2.gz WXJXCZZFAJBKGN-UHFFFAOYSA-N 2 2 332.517 3.582 50 0 EHAALP Nc1ccc2[nH]c(-c3cccc(-c4[nH]c5ccc(N)cc5[nH+]4)c3)[nH+]c2c1 ZINC000000348992 563288692 /nfs/dbraw/zinc/28/86/92/563288692.db2.gz AQEJANNNADGRSY-UHFFFAOYSA-N 2 2 340.390 3.938 50 0 EHAALP Cc1nnc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)o1 ZINC000071902481 563555020 /nfs/dbraw/zinc/55/50/20/563555020.db2.gz BEPPSISHVIQAJU-LSDHHAIUSA-N 2 2 328.460 3.603 50 0 EHAALP Cc1nnc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)o1 ZINC000071902481 563555024 /nfs/dbraw/zinc/55/50/24/563555024.db2.gz BEPPSISHVIQAJU-LSDHHAIUSA-N 2 2 328.460 3.603 50 0 EHAALP CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2Cc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000071750871 563965131 /nfs/dbraw/zinc/96/51/31/563965131.db2.gz KPSMQJYUTNMHPF-CYBMUJFWSA-N 2 2 343.862 3.660 50 0 EHAALP CC[N@H+]1CCC[C@@H](c2[nH+]ccn2Cc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000071750871 563965132 /nfs/dbraw/zinc/96/51/32/563965132.db2.gz KPSMQJYUTNMHPF-CYBMUJFWSA-N 2 2 343.862 3.660 50 0 EHAALP c1cn(Cc2ccc(N3CCC(OCc4ccccc4)CC3)[nH+]c2)c[nH+]1 ZINC000077299545 563968845 /nfs/dbraw/zinc/96/88/45/563968845.db2.gz SEGCXBRCKJLTNG-UHFFFAOYSA-N 2 2 348.450 3.512 50 0 EHAALP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4cc[nH+]c(C)n4)C3)C2)c1 ZINC000426503336 563996271 /nfs/dbraw/zinc/99/62/71/563996271.db2.gz PDFDUKKIKGPNIN-OAQYLSRUSA-N 2 2 336.483 3.586 50 0 EHAALP Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(c4cc[nH+]c(C)n4)C3)C2)c1 ZINC000426503336 563996272 /nfs/dbraw/zinc/99/62/72/563996272.db2.gz PDFDUKKIKGPNIN-OAQYLSRUSA-N 2 2 336.483 3.586 50 0 EHAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH+](C)Cc1cncs1 ZINC000241383575 564088341 /nfs/dbraw/zinc/08/83/41/564088341.db2.gz MWHWBCWKZINHLA-MNZLEMJZSA-N 2 2 329.513 3.732 50 0 EHAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH+](C)Cc1cncs1 ZINC000241383575 564088342 /nfs/dbraw/zinc/08/83/42/564088342.db2.gz MWHWBCWKZINHLA-MNZLEMJZSA-N 2 2 329.513 3.732 50 0 EHAALP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[N@H+](C)Cc1cncs1 ZINC000241383575 564088343 /nfs/dbraw/zinc/08/83/43/564088343.db2.gz MWHWBCWKZINHLA-MNZLEMJZSA-N 2 2 329.513 3.732 50 0 EHAALP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[N@@H+](C)Cc1cncs1 ZINC000241383575 564088344 /nfs/dbraw/zinc/08/83/44/564088344.db2.gz MWHWBCWKZINHLA-MNZLEMJZSA-N 2 2 329.513 3.732 50 0 EHAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccccc1OCC1CC1)CCC2 ZINC000089702133 564113209 /nfs/dbraw/zinc/11/32/09/564113209.db2.gz RGIAROHSRVTRKL-GOSISDBHSA-N 2 2 325.456 3.648 50 0 EHAALP CN(CCCn1cc[nH+]c1)c1cc[nH+]c2cc(Br)ccc21 ZINC000170672916 564121352 /nfs/dbraw/zinc/12/13/52/564121352.db2.gz RDOYBZSZBVPJOH-UHFFFAOYSA-N 2 2 345.244 3.720 50 0 EHAALP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1F ZINC000095968744 564143251 /nfs/dbraw/zinc/14/32/51/564143251.db2.gz VEBKAMIMRRHYEF-HNNXBMFYSA-N 2 2 345.437 3.718 50 0 EHAALP CCc1[nH]c(C)c(-c2nccn2C2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000067460063 215149160 /nfs/dbraw/zinc/14/91/60/215149160.db2.gz GSBRPJWFDRZCRM-UHFFFAOYSA-N 2 2 349.482 3.981 50 0 EHAALP CC(C)[N@@H+]1CCC[C@H](CN(C)Cc2c[nH+]c(CC3CCCC3)[nH]2)C1 ZINC000072144128 216030608 /nfs/dbraw/zinc/03/06/08/216030608.db2.gz CIHYUTMCWPJETA-GOSISDBHSA-N 2 2 332.536 3.695 50 0 EHAALP CC(C)[N@H+]1CCC[C@H](CN(C)Cc2c[nH+]c(CC3CCCC3)[nH]2)C1 ZINC000072144128 216030611 /nfs/dbraw/zinc/03/06/11/216030611.db2.gz CIHYUTMCWPJETA-GOSISDBHSA-N 2 2 332.536 3.695 50 0 EHAALP C[NH+](C)Cc1csc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccc3)C2)c1 ZINC000072475411 216253074 /nfs/dbraw/zinc/25/30/74/216253074.db2.gz SXADKNIPWFKZAT-GOSISDBHSA-N 2 2 342.508 3.905 50 0 EHAALP C[NH+](C)Cc1csc(C[N@H+]2CCC[C@@H](C(=O)c3ccccc3)C2)c1 ZINC000072475411 216253076 /nfs/dbraw/zinc/25/30/76/216253076.db2.gz SXADKNIPWFKZAT-GOSISDBHSA-N 2 2 342.508 3.905 50 0 EHAALP c1cn(-c2ccccc2C[NH2+]Cc2c[nH]nc2-c2ccccc2)c[nH+]1 ZINC000078612752 217087783 /nfs/dbraw/zinc/08/77/83/217087783.db2.gz GHLFBZRKBLVHDI-UHFFFAOYSA-N 2 2 329.407 3.552 50 0 EHAALP CCn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCOc2cccc(OC)c2)C1 ZINC000091604751 218031799 /nfs/dbraw/zinc/03/17/99/218031799.db2.gz NCYIYUVYLSFLJB-QGZVFWFLSA-N 2 2 343.471 3.560 50 0 EHAALP CCn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCOc2cccc(OC)c2)C1 ZINC000091604751 218031802 /nfs/dbraw/zinc/03/18/02/218031802.db2.gz NCYIYUVYLSFLJB-QGZVFWFLSA-N 2 2 343.471 3.560 50 0 EHAALP CCCc1c[nH+]c(C)nc1N1CCC[C@H](c2[nH+]ccn2C(C)C)C1 ZINC000095390991 218322159 /nfs/dbraw/zinc/32/21/59/218322159.db2.gz SWHGUYGZNBXVMT-KRWDZBQOSA-N 2 2 327.476 3.899 50 0 EHAALP CCCCc1nc(Cl)c(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)[nH]1 ZINC000215045851 535108727 /nfs/dbraw/zinc/10/87/27/535108727.db2.gz CGAZKTDIQFCGKK-AWEZNQCLSA-N 2 2 335.883 3.514 50 0 EHAALP CCCCc1nc(Cl)c(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)[nH]1 ZINC000215045851 535108732 /nfs/dbraw/zinc/10/87/32/535108732.db2.gz CGAZKTDIQFCGKK-AWEZNQCLSA-N 2 2 335.883 3.514 50 0 EHAALP CCCc1cc(N2CC[NH+](Cc3cccc4[nH]ccc43)CC2)nc(C)[nH+]1 ZINC000067770899 563962668 /nfs/dbraw/zinc/96/26/68/563962668.db2.gz RJKMIVOZHUMSNX-UHFFFAOYSA-N 2 2 349.482 3.541 50 0 EHAALP Cc1ccncc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000241277736 564051928 /nfs/dbraw/zinc/05/19/28/564051928.db2.gz LISUTRPWCXXSGN-HNAYVOBHSA-N 2 2 347.865 3.965 50 0 EHAALP Cc1ccncc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000241277736 564051929 /nfs/dbraw/zinc/05/19/29/564051929.db2.gz LISUTRPWCXXSGN-HNAYVOBHSA-N 2 2 347.865 3.965 50 0 EHAALP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000083877861 564064156 /nfs/dbraw/zinc/06/41/56/564064156.db2.gz OSEDBLONOFBGNJ-HXUWFJFHSA-N 2 2 346.478 3.723 50 0 EHAALP C[N@H+]1CCC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000083877861 564064157 /nfs/dbraw/zinc/06/41/57/564064157.db2.gz OSEDBLONOFBGNJ-HXUWFJFHSA-N 2 2 346.478 3.723 50 0 EHAALP Fc1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccnc2)cc1 ZINC000253370583 564130325 /nfs/dbraw/zinc/13/03/25/564130325.db2.gz SQDVGCZMAIJVAC-UFYCRDLUSA-N 2 2 325.431 3.527 50 0 EHAALP Fc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2cccnc2)cc1 ZINC000253370583 564130326 /nfs/dbraw/zinc/13/03/26/564130326.db2.gz SQDVGCZMAIJVAC-UFYCRDLUSA-N 2 2 325.431 3.527 50 0 EHAALP Cc1cccc(N2CCC([NH2+]CC(C)(C)[NH+]3CCCCC3)CC2)c1 ZINC000952990010 1137485749 /nfs/dbraw/zinc/48/57/49/1137485749.db2.gz JNDTUVHAWWMRDF-UHFFFAOYSA-N 2 2 329.532 3.818 50 0 EHAALP CCc1[nH]c(C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)c(C)[nH+]1 ZINC000055413284 214321374 /nfs/dbraw/zinc/32/13/74/214321374.db2.gz SZEQMECIFZBLEZ-KRWDZBQOSA-N 2 2 331.435 3.601 50 0 EHAALP CCc1[nH]c(C[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)c(C)[nH+]1 ZINC000055413284 214321377 /nfs/dbraw/zinc/32/13/77/214321377.db2.gz SZEQMECIFZBLEZ-KRWDZBQOSA-N 2 2 331.435 3.601 50 0 EHAALP Fc1ccc(C(F)(F)F)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648788 218156202 /nfs/dbraw/zinc/15/62/02/218156202.db2.gz CKRYMNHWIIGSOK-UHFFFAOYSA-N 2 2 327.325 3.878 50 0 EHAALP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)o1 ZINC000095420849 218362162 /nfs/dbraw/zinc/36/21/62/218362162.db2.gz OBXJKMIFYULFOV-SJORKVTESA-N 2 2 328.456 3.660 50 0 EHAALP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)o1 ZINC000095420849 218362165 /nfs/dbraw/zinc/36/21/65/218362165.db2.gz OBXJKMIFYULFOV-SJORKVTESA-N 2 2 328.456 3.660 50 0 EHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCSc3ccccc32)cn1 ZINC000095420603 218362291 /nfs/dbraw/zinc/36/22/91/218362291.db2.gz CPIIPXMSGZNCQE-QGZVFWFLSA-N 2 2 336.464 3.902 50 0 EHAALP CC[C@@H](C)c1ccc(NC(=O)[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000006085820 564073769 /nfs/dbraw/zinc/07/37/69/564073769.db2.gz SACHYHKHZUGKQY-CVEARBPZSA-N 2 2 333.520 3.705 50 0 EHAALP COc1cccc2cc(C[NH2+]C[C@@H]3CCCn4cc(C)[nH+]c43)oc21 ZINC000089702118 564113212 /nfs/dbraw/zinc/11/32/12/564113212.db2.gz QDQNJZNDSDGBOT-HNNXBMFYSA-N 2 2 325.412 3.614 50 0 EHAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000090003688 564116169 /nfs/dbraw/zinc/11/61/69/564116169.db2.gz ULAROOMXJAOPOF-AWEZNQCLSA-N 2 2 342.468 3.591 50 0 EHAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000090003688 564116170 /nfs/dbraw/zinc/11/61/70/564116170.db2.gz ULAROOMXJAOPOF-AWEZNQCLSA-N 2 2 342.468 3.591 50 0 EHAALP Cc1cc2oc(=O)cc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)c2cc1Cl ZINC000078876509 564137327 /nfs/dbraw/zinc/13/73/27/564137327.db2.gz OVMFTOXSPVHTNF-HIFRSBDPSA-N 2 2 348.874 3.669 50 0 EHAALP Cc1cc2oc(=O)cc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)c2cc1Cl ZINC000078876509 564137328 /nfs/dbraw/zinc/13/73/28/564137328.db2.gz OVMFTOXSPVHTNF-HIFRSBDPSA-N 2 2 348.874 3.669 50 0 EHAALP Cc1cc2oc(=O)cc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)c2cc1Cl ZINC000078876509 564137329 /nfs/dbraw/zinc/13/73/29/564137329.db2.gz OVMFTOXSPVHTNF-HIFRSBDPSA-N 2 2 348.874 3.669 50 0 EHAALP Cc1cc2oc(=O)cc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)c2cc1Cl ZINC000078876509 564137330 /nfs/dbraw/zinc/13/73/30/564137330.db2.gz OVMFTOXSPVHTNF-HIFRSBDPSA-N 2 2 348.874 3.669 50 0 EHAALP COc1cccc([C@H](C[NH2+]Cc2ccc(F)cc2)[NH+]2CCCC2)c1 ZINC000098078625 219080089 /nfs/dbraw/zinc/08/00/89/219080089.db2.gz CEWJZQZFFDAELS-FQEVSTJZSA-N 2 2 328.431 3.761 50 0 EHAALP C[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c(F)c1 ZINC000095423491 218366185 /nfs/dbraw/zinc/36/61/85/218366185.db2.gz LKXPUTDEIBULIA-CQSZACIVSA-N 2 2 331.410 3.722 50 0 EHAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000096484371 563955345 /nfs/dbraw/zinc/95/53/45/563955345.db2.gz KGEIHHUWMJPNNI-JCGIZDLHSA-N 3 2 342.462 3.597 50 0 EHAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000096484371 563955346 /nfs/dbraw/zinc/95/53/46/563955346.db2.gz KGEIHHUWMJPNNI-JCGIZDLHSA-N 3 2 342.462 3.597 50 0 EHAALP c1[nH+]c(CC2CCCC2)[nH]c1CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000077505508 563970075 /nfs/dbraw/zinc/97/00/75/563970075.db2.gz GRZRUDPRBVEAHF-HXUWFJFHSA-N 2 2 344.547 3.983 50 0 EHAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000082147405 563972697 /nfs/dbraw/zinc/97/26/97/563972697.db2.gz ZRSUIMKFHNWNNI-CYBMUJFWSA-N 2 2 341.352 3.958 50 0 EHAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000082147405 563972698 /nfs/dbraw/zinc/97/26/98/563972698.db2.gz ZRSUIMKFHNWNNI-CYBMUJFWSA-N 2 2 341.352 3.958 50 0 EHAALP COCCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000091620830 563975616 /nfs/dbraw/zinc/97/56/16/563975616.db2.gz RCHRVJQRBDPCAV-ZDUSSCGKSA-N 2 2 339.892 3.624 50 0 EHAALP COCCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000091620830 563975617 /nfs/dbraw/zinc/97/56/17/563975617.db2.gz RCHRVJQRBDPCAV-ZDUSSCGKSA-N 2 2 339.892 3.624 50 0 EHAALP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)CC1 ZINC000221356201 563991831 /nfs/dbraw/zinc/99/18/31/563991831.db2.gz AIRULEAUJCSPQS-KSZLIROESA-N 2 2 338.417 3.579 50 0 EHAALP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3nc4ccccc4o3)C2)CC1 ZINC000084699931 564069739 /nfs/dbraw/zinc/06/97/39/564069739.db2.gz RYLCKQNJOTXJON-KRWDZBQOSA-N 2 2 327.472 3.772 50 0 EHAALP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3nc4ccccc4o3)C2)CC1 ZINC000084699931 564069740 /nfs/dbraw/zinc/06/97/40/564069740.db2.gz RYLCKQNJOTXJON-KRWDZBQOSA-N 2 2 327.472 3.772 50 0 EHAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccccc1OCC1CC1)CCC2 ZINC000089702132 564113178 /nfs/dbraw/zinc/11/31/78/564113178.db2.gz RGIAROHSRVTRKL-SFHVURJKSA-N 2 2 325.456 3.648 50 0 EHAALP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cn3cccc(C)c3n2)cc1 ZINC000090044931 564116214 /nfs/dbraw/zinc/11/62/14/564116214.db2.gz AERIIEOVUOPCQS-MRXNPFEDSA-N 2 2 345.450 3.988 50 0 EHAALP Cc1cncc(C[N@@H+](C)[C@@H]2CCC[NH+](Cc3cncc(C)c3)CC2)c1 ZINC000225500929 564135594 /nfs/dbraw/zinc/13/55/94/564135594.db2.gz UQLWSEBSRRFIJI-OAQYLSRUSA-N 2 2 338.499 3.580 50 0 EHAALP Cc1cncc(C[N@H+](C)[C@@H]2CCC[NH+](Cc3cncc(C)c3)CC2)c1 ZINC000225500929 564135595 /nfs/dbraw/zinc/13/55/95/564135595.db2.gz UQLWSEBSRRFIJI-OAQYLSRUSA-N 2 2 338.499 3.580 50 0 EHAALP Cc1cncc(C[NH+](C)[C@@H]2CCC[N@H+](Cc3cncc(C)c3)CC2)c1 ZINC000225500929 564135596 /nfs/dbraw/zinc/13/55/96/564135596.db2.gz UQLWSEBSRRFIJI-OAQYLSRUSA-N 2 2 338.499 3.580 50 0 EHAALP Cc1cncc(C[NH+](C)[C@@H]2CCC[N@@H+](Cc3cncc(C)c3)CC2)c1 ZINC000225500929 564135597 /nfs/dbraw/zinc/13/55/97/564135597.db2.gz UQLWSEBSRRFIJI-OAQYLSRUSA-N 2 2 338.499 3.580 50 0 EHAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1nc3ccccc3n1C(C)C)CCC2 ZINC000095402065 564139516 /nfs/dbraw/zinc/13/95/16/564139516.db2.gz BAYNFZCYWBLPKF-INIZCTEOSA-N 2 2 337.471 3.789 50 0 EHAALP COc1cccc([C@@H](C[NH2+]Cc2ccc(F)cc2)[NH+]2CCCC2)c1 ZINC000098078624 219080707 /nfs/dbraw/zinc/08/07/07/219080707.db2.gz CEWJZQZFFDAELS-HXUWFJFHSA-N 2 2 328.431 3.761 50 0 EHAALP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000072164944 216054588 /nfs/dbraw/zinc/05/45/88/216054588.db2.gz GCMAUOMMBFGCJE-IBGZPJMESA-N 3 2 348.494 3.519 50 0 EHAALP [NH3+]CCc1cccc(C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000072164944 216054591 /nfs/dbraw/zinc/05/45/91/216054591.db2.gz GCMAUOMMBFGCJE-IBGZPJMESA-N 3 2 348.494 3.519 50 0 EHAALP CC(C)n1cncc1C[N@H+](CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000072171385 216062216 /nfs/dbraw/zinc/06/22/16/216062216.db2.gz AYYVWFMGJVIWDD-UHFFFAOYSA-N 2 2 340.515 3.603 50 0 EHAALP CC(C)n1cncc1C[N@@H+](CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000072171385 216062219 /nfs/dbraw/zinc/06/22/19/216062219.db2.gz AYYVWFMGJVIWDD-UHFFFAOYSA-N 2 2 340.515 3.603 50 0 EHAALP C[NH+](C)CC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2cccs2)nc1 ZINC000072425787 216216457 /nfs/dbraw/zinc/21/64/57/216216457.db2.gz AUGCQIVGIUJEOM-MRXNPFEDSA-N 2 2 330.501 3.511 50 0 EHAALP C[NH+](C)CC[C@H]1CCCC[N@H+]1Cc1cnc(-c2cccs2)nc1 ZINC000072425787 216216459 /nfs/dbraw/zinc/21/64/59/216216459.db2.gz AUGCQIVGIUJEOM-MRXNPFEDSA-N 2 2 330.501 3.511 50 0 EHAALP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cnn(-c2ccc(C(C)C)cc2)c1 ZINC000216085597 241163904 /nfs/dbraw/zinc/16/39/04/241163904.db2.gz OUXRXPDTVCQUOT-UHFFFAOYSA-N 2 2 337.471 3.633 50 0 EHAALP Cc1[nH+]ccn1CC[N@H+](C)Cc1cnn(-c2ccc(C(C)C)cc2)c1 ZINC000216085597 241163912 /nfs/dbraw/zinc/16/39/12/241163912.db2.gz OUXRXPDTVCQUOT-UHFFFAOYSA-N 2 2 337.471 3.633 50 0 EHAALP C[NH+](C)CC[NH2+]CC[C@@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000020548615 212146621 /nfs/dbraw/zinc/14/66/21/212146621.db2.gz KRSFVMWBUGYVDM-PMACEKPBSA-N 2 2 332.532 3.592 50 0 EHAALP CCCCc1[nH]c(CN2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)c[nH+]1 ZINC000019811615 212071051 /nfs/dbraw/zinc/07/10/51/212071051.db2.gz WYFXUANBAICZGS-FQEVSTJZSA-N 2 2 340.515 3.849 50 0 EHAALP CCCCc1[nH]c(CN2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)c[nH+]1 ZINC000019811615 212071054 /nfs/dbraw/zinc/07/10/54/212071054.db2.gz WYFXUANBAICZGS-FQEVSTJZSA-N 2 2 340.515 3.849 50 0 EHAALP CCCCc1[nH]cc(CN2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)[nH+]1 ZINC000019811615 212071057 /nfs/dbraw/zinc/07/10/57/212071057.db2.gz WYFXUANBAICZGS-FQEVSTJZSA-N 2 2 340.515 3.849 50 0 EHAALP CCCCc1[nH]cc(CN2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)[nH+]1 ZINC000019811615 212071058 /nfs/dbraw/zinc/07/10/58/212071058.db2.gz WYFXUANBAICZGS-FQEVSTJZSA-N 2 2 340.515 3.849 50 0 EHAALP CN(CCC[NH+](C)C)[C@@H]1CCC[N@H+](C/C(Cl)=C/c2ccccc2)C1 ZINC000019745406 212060886 /nfs/dbraw/zinc/06/08/86/212060886.db2.gz GYPJMDVGBNXTFW-RMWKRFJVSA-N 2 2 349.950 3.614 50 0 EHAALP CN(CCC[NH+](C)C)[C@@H]1CCC[N@@H+](C/C(Cl)=C/c2ccccc2)C1 ZINC000019745406 212060888 /nfs/dbraw/zinc/06/08/88/212060888.db2.gz GYPJMDVGBNXTFW-RMWKRFJVSA-N 2 2 349.950 3.614 50 0 EHAALP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCc2ccccn2)CC1 ZINC000093301513 218213047 /nfs/dbraw/zinc/21/30/47/218213047.db2.gz GMIBZBXAIJUTBO-UHFFFAOYSA-N 2 2 334.467 3.873 50 0 EHAALP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1F ZINC000095420790 218362279 /nfs/dbraw/zinc/36/22/79/218362279.db2.gz KKCOYXKEIGMOIJ-CQSZACIVSA-N 2 2 325.387 3.871 50 0 EHAALP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)o1 ZINC000095421529 218362637 /nfs/dbraw/zinc/36/26/37/218362637.db2.gz JZUAPUSLSFUWED-MRXNPFEDSA-N 2 2 327.472 3.595 50 0 EHAALP Cc1ccc(NCc2[nH+]ccn2Cc2ccccc2)c(C[NH+](C)C)c1 ZINC000095429108 218371996 /nfs/dbraw/zinc/37/19/96/218371996.db2.gz AOEMFQOMFBVFKX-UHFFFAOYSA-N 2 2 334.467 3.914 50 0 EHAALP Cc1ccccc1C[NH+]1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000000316285 563283054 /nfs/dbraw/zinc/28/30/54/563283054.db2.gz SEZIEAVLPMUINK-UHFFFAOYSA-N 2 2 349.522 3.782 50 0 EHAALP COc1cccc(F)c1[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000096478599 563955088 /nfs/dbraw/zinc/95/50/88/563955088.db2.gz PIWAKXSNQWYGTL-AWEZNQCLSA-N 2 2 329.419 3.549 50 0 EHAALP C[C@@H](c1ccc(-c2ccc(-n3cc[nH+]c3)nn2)cc1)[NH+]1CCCCC1 ZINC000426578727 564094156 /nfs/dbraw/zinc/09/41/56/564094156.db2.gz ORGYYZUOKJVGDR-INIZCTEOSA-N 2 2 333.439 3.876 50 0 EHAALP C[C@H]([NH2+]C[C@@H]1CCCn2cc(C(C)(C)C)[nH+]c21)c1nc(C2CC2)no1 ZINC000089913632 564115245 /nfs/dbraw/zinc/11/52/45/564115245.db2.gz HISGDSNTYICREI-JSGCOSHPSA-N 2 2 343.475 3.669 50 0 EHAALP C[C@H]([NH2+]Cc1ccc(C2OCCO2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095967975 564143163 /nfs/dbraw/zinc/14/31/63/564143163.db2.gz ONOZDOIVZYNMPV-INIZCTEOSA-N 2 2 349.434 3.769 50 0 EHAALP C[C@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccc(F)c(F)c1 ZINC000095968749 564143232 /nfs/dbraw/zinc/14/32/32/564143232.db2.gz QHWDDPGZTPLFOU-OAHLLOKOSA-N 2 2 345.437 3.718 50 0 EHAALP C[C@@H](c1cccc(C[NH+]2CCN(Cc3cccs3)CC2)c1)[NH+](C)C ZINC000823648984 1131073560 /nfs/dbraw/zinc/07/35/60/1131073560.db2.gz MXFZMXGMLZFTPB-KRWDZBQOSA-N 2 2 343.540 3.689 50 0 EHAALP Cc1c[nH+]c(-c2cccnc2)n1CC1CC[NH+](Cc2cccn2C)CC1 ZINC000575549151 1131572526 /nfs/dbraw/zinc/57/25/26/1131572526.db2.gz HQTVPOQSEFFJFY-UHFFFAOYSA-N 2 2 349.482 3.504 50 0 EHAALP Cc1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC(C)(C)C)C3)nc1C ZINC000055100192 214273219 /nfs/dbraw/zinc/27/32/19/214273219.db2.gz IZQDRXMFMLNNNT-OAQYLSRUSA-N 2 2 344.547 3.736 50 0 EHAALP Cc1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC(C)(C)C)C3)nc1C ZINC000055100192 214273221 /nfs/dbraw/zinc/27/32/21/214273221.db2.gz IZQDRXMFMLNNNT-OAQYLSRUSA-N 2 2 344.547 3.736 50 0 EHAALP Cc1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC(C)(C)C)C3)nc1C ZINC000055100192 214273224 /nfs/dbraw/zinc/27/32/24/214273224.db2.gz IZQDRXMFMLNNNT-OAQYLSRUSA-N 2 2 344.547 3.736 50 0 EHAALP Cc1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC(C)(C)C)C3)nc1C ZINC000055100192 214273227 /nfs/dbraw/zinc/27/32/27/214273227.db2.gz IZQDRXMFMLNNNT-OAQYLSRUSA-N 2 2 344.547 3.736 50 0 EHAALP C[C@@H]([NH2+]CC(=O)Nc1cc(N(C)C)[nH+]c2ccccc12)c1ccccc1 ZINC000004018673 210101832 /nfs/dbraw/zinc/10/18/32/210101832.db2.gz VZTATDIFAHAGEB-OAHLLOKOSA-N 2 2 348.450 3.590 50 0 EHAALP C[NH+](C)CC[C@@H]1CCCC[N@@H+]1Cc1cnc(C2CCCCC2)nc1 ZINC000072453592 216240624 /nfs/dbraw/zinc/24/06/24/216240624.db2.gz SCQWKJGXVBMVQK-IBGZPJMESA-N 2 2 330.520 3.831 50 0 EHAALP C[NH+](C)CC[C@@H]1CCCC[N@H+]1Cc1cnc(C2CCCCC2)nc1 ZINC000072453592 216240628 /nfs/dbraw/zinc/24/06/28/216240628.db2.gz SCQWKJGXVBMVQK-IBGZPJMESA-N 2 2 330.520 3.831 50 0 EHAALP CCOc1cc(-c2[nH+]ccn2[C@H]2CC[NH2+]C2)cc(Cl)c1OCC ZINC000072453452 216240647 /nfs/dbraw/zinc/24/06/47/216240647.db2.gz WRMMWJAKNIUXOW-ZDUSSCGKSA-N 2 2 335.835 3.535 50 0 EHAALP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000193110468 240025768 /nfs/dbraw/zinc/02/57/68/240025768.db2.gz MHAYETPTHCRDJN-DYVFJYSZSA-N 2 2 335.904 3.797 50 0 EHAALP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000193110468 240025774 /nfs/dbraw/zinc/02/57/74/240025774.db2.gz MHAYETPTHCRDJN-DYVFJYSZSA-N 2 2 335.904 3.797 50 0 EHAALP c1ccc2c(c1)[nH+]c(NCc1ccncc1)n2CC[NH+]1CCCCC1 ZINC000002214334 563426973 /nfs/dbraw/zinc/42/69/73/563426973.db2.gz HNBJQJACXKSSBA-UHFFFAOYSA-N 2 2 335.455 3.529 50 0 EHAALP Cc1cccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000002786419 563450941 /nfs/dbraw/zinc/45/09/41/563450941.db2.gz FTORYUFGGQKUMK-UHFFFAOYSA-N 2 2 349.522 3.782 50 0 EHAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000090003982 564116158 /nfs/dbraw/zinc/11/61/58/564116158.db2.gz OUIDXYPYQKJPPH-AWEZNQCLSA-N 2 2 342.468 3.591 50 0 EHAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000090003982 564116159 /nfs/dbraw/zinc/11/61/59/564116159.db2.gz OUIDXYPYQKJPPH-AWEZNQCLSA-N 2 2 342.468 3.591 50 0 EHAALP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccco1 ZINC000095422922 564140171 /nfs/dbraw/zinc/14/01/71/564140171.db2.gz FLBLNEYTWAWAHN-DLBZAZTESA-N 2 2 328.456 3.830 50 0 EHAALP CCc1nc(CC[NH2+]C2CC[NH+](Cc3cccc(F)c3)CC2)cs1 ZINC000096476951 564148493 /nfs/dbraw/zinc/14/84/93/564148493.db2.gz AJRNXGMFABDIMZ-UHFFFAOYSA-N 2 2 347.503 3.641 50 0 EHAALP COCCCn1c(C)c[nH+]c1[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000581815725 1132371986 /nfs/dbraw/zinc/37/19/86/1132371986.db2.gz HBZQFWQAKKDJIZ-IBGZPJMESA-N 2 2 327.472 3.526 50 0 EHAALP COCCCn1c(C)c[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000581815725 1132371995 /nfs/dbraw/zinc/37/19/95/1132371995.db2.gz HBZQFWQAKKDJIZ-IBGZPJMESA-N 2 2 327.472 3.526 50 0 EHAALP C[NH+]1CCC(C2CC[NH+](Cc3c[nH+]c(CC4CCCC4)[nH]3)CC2)CC1 ZINC000072148833 216036199 /nfs/dbraw/zinc/03/61/99/216036199.db2.gz KIBOTGCPMOYAKU-UHFFFAOYSA-N 3 2 344.547 3.696 50 0 EHAALP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072253563 216083572 /nfs/dbraw/zinc/08/35/72/216083572.db2.gz RHQGAFMUXKLTGV-IBGZPJMESA-N 2 2 335.455 3.560 50 0 EHAALP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072253563 216083574 /nfs/dbraw/zinc/08/35/74/216083574.db2.gz RHQGAFMUXKLTGV-IBGZPJMESA-N 2 2 335.455 3.560 50 0 EHAALP CC(C)Nc1cc[nH+]c(N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000072424524 216215238 /nfs/dbraw/zinc/21/52/38/216215238.db2.gz TVFRAWDJZZTCKF-INIZCTEOSA-N 2 2 343.450 3.513 50 0 EHAALP CC(C)Nc1cc[nH+]c(N[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000072424524 216215240 /nfs/dbraw/zinc/21/52/40/216215240.db2.gz TVFRAWDJZZTCKF-INIZCTEOSA-N 2 2 343.450 3.513 50 0 EHAALP C[NH+](C)CC[NH2+]CC[C@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000020548617 212146925 /nfs/dbraw/zinc/14/69/25/212146925.db2.gz KRSFVMWBUGYVDM-UXHICEINSA-N 2 2 332.532 3.592 50 0 EHAALP c1ccc(N2CC[NH+](C3CC[NH+](C4CCCCCC4)CC3)CC2)cc1 ZINC000002734680 563447329 /nfs/dbraw/zinc/44/73/29/563447329.db2.gz NESATOWNPUZAPY-UHFFFAOYSA-N 2 2 341.543 3.996 50 0 EHAALP Cc1[nH+]cc(C[NH2+]Cc2cccnc2Oc2c(C)cccc2C)n1C ZINC000012445033 563661199 /nfs/dbraw/zinc/66/11/99/563661199.db2.gz BTORZHQZWYFJQD-UHFFFAOYSA-N 2 2 336.439 3.822 50 0 EHAALP Cc1cc(N2CCC[C@@H](Cn3cc[nH+]c3)C2)nc(-c2ccccc2)[nH+]1 ZINC000077356709 563969153 /nfs/dbraw/zinc/96/91/53/563969153.db2.gz LDAZCXIBNAZZKN-KRWDZBQOSA-N 2 2 333.439 3.565 50 0 EHAALP Cc1c[nH+]c(N)nc1NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000091351030 563975308 /nfs/dbraw/zinc/97/53/08/563975308.db2.gz MIORNWXHXIXTLK-UHFFFAOYSA-N 2 2 336.443 3.629 50 0 EHAALP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]CCCc1[nH]c2ccc(C)c(C)c2[nH+]1 ZINC000534653375 564061427 /nfs/dbraw/zinc/06/14/27/564061427.db2.gz GZMDVXMBADCMII-OAHLLOKOSA-N 3 2 339.487 3.686 50 0 EHAALP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]CCCc1[nH]c2c(ccc(C)c2C)[nH+]1 ZINC000534653375 564061428 /nfs/dbraw/zinc/06/14/28/564061428.db2.gz GZMDVXMBADCMII-OAHLLOKOSA-N 3 2 339.487 3.686 50 0 EHAALP C[N@@H+]1CCC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000083877859 564064121 /nfs/dbraw/zinc/06/41/21/564064121.db2.gz OSEDBLONOFBGNJ-FQEVSTJZSA-N 2 2 346.478 3.723 50 0 EHAALP C[N@H+]1CCC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000083877859 564064122 /nfs/dbraw/zinc/06/41/22/564064122.db2.gz OSEDBLONOFBGNJ-FQEVSTJZSA-N 2 2 346.478 3.723 50 0 EHAALP CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000006085816 564073743 /nfs/dbraw/zinc/07/37/43/564073743.db2.gz SACHYHKHZUGKQY-HZPDHXFCSA-N 2 2 333.520 3.705 50 0 EHAALP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3)o2)[nH+]1 ZINC000075142024 564080699 /nfs/dbraw/zinc/08/06/99/564080699.db2.gz QVXGDWSTHMOPAG-KRWDZBQOSA-N 2 2 349.438 3.517 50 0 EHAALP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3)o2)[nH+]1 ZINC000075142024 564080700 /nfs/dbraw/zinc/08/07/00/564080700.db2.gz QVXGDWSTHMOPAG-KRWDZBQOSA-N 2 2 349.438 3.517 50 0 EHAALP c1cn(CCC[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)c[nH+]1 ZINC000035310474 564081772 /nfs/dbraw/zinc/08/17/72/564081772.db2.gz PSYDYQBIYURICK-UHFFFAOYSA-N 2 2 338.436 3.933 50 0 EHAALP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2ccc(F)cc2C)CC1 ZINC000952980975 1137484224 /nfs/dbraw/zinc/48/42/24/1137484224.db2.gz YDZDHUVXXXVMJM-IBGZPJMESA-N 2 2 333.495 3.567 50 0 EHAALP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2ccc(F)cc2C)CC1 ZINC000952980975 1137484226 /nfs/dbraw/zinc/48/42/26/1137484226.db2.gz YDZDHUVXXXVMJM-IBGZPJMESA-N 2 2 333.495 3.567 50 0 EHAALP C[NH+]1CCC([N@H+](Cc2cccnc2)Cc2ccc3occc3c2)CC1 ZINC000072135251 216024175 /nfs/dbraw/zinc/02/41/75/216024175.db2.gz XVYAWBAMYIGGLU-UHFFFAOYSA-N 2 2 335.451 3.924 50 0 EHAALP C[NH+]1CCC([N@@H+](Cc2cccnc2)Cc2ccc3occc3c2)CC1 ZINC000072135251 216024177 /nfs/dbraw/zinc/02/41/77/216024177.db2.gz XVYAWBAMYIGGLU-UHFFFAOYSA-N 2 2 335.451 3.924 50 0 EHAALP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC1 ZINC000195556469 241004530 /nfs/dbraw/zinc/00/45/30/241004530.db2.gz AIRULEAUJCSPQS-KZNAEPCWSA-N 2 2 338.417 3.579 50 0 EHAALP COc1ccccc1OCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C(C)C)C1 ZINC000095363719 218296563 /nfs/dbraw/zinc/29/65/63/218296563.db2.gz NHQLUZNIKDCMNK-QGZVFWFLSA-N 2 2 343.471 3.731 50 0 EHAALP COc1ccccc1OCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C(C)C)C1 ZINC000095363719 218296566 /nfs/dbraw/zinc/29/65/66/218296566.db2.gz NHQLUZNIKDCMNK-QGZVFWFLSA-N 2 2 343.471 3.731 50 0 EHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2csc(C(C)(C)C)n2)cn1 ZINC000095373453 218306133 /nfs/dbraw/zinc/30/61/33/218306133.db2.gz RPCQVLAJFQLMEZ-UHFFFAOYSA-N 2 2 341.484 3.620 50 0 EHAALP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](CC(C)C)c2ccccn2)cn1 ZINC000095420598 218362307 /nfs/dbraw/zinc/36/23/07/218362307.db2.gz IHJACJKXUMTIEM-LJQANCHMSA-N 2 2 335.455 3.848 50 0 EHAALP C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccco1 ZINC000095422923 218365402 /nfs/dbraw/zinc/36/54/02/218365402.db2.gz FLBLNEYTWAWAHN-IAGOWNOFSA-N 2 2 328.456 3.830 50 0 EHAALP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2n1C ZINC000071911966 563591366 /nfs/dbraw/zinc/59/13/66/563591366.db2.gz DBMSRLSVPATPFC-INIZCTEOSA-N 2 2 337.471 3.558 50 0 EHAALP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc2ccccc2n1C ZINC000071911966 563591368 /nfs/dbraw/zinc/59/13/68/563591368.db2.gz DBMSRLSVPATPFC-INIZCTEOSA-N 2 2 337.471 3.558 50 0 EHAALP c1coc(-c2noc(C[NH+]3CCC(c4[nH]c5ccccc5[nH+]4)CC3)n2)c1 ZINC000109764910 563914563 /nfs/dbraw/zinc/91/45/63/563914563.db2.gz YOCUVOYBYPHQNU-UHFFFAOYSA-N 2 2 349.394 3.586 50 0 EHAALP COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000006648798 564095271 /nfs/dbraw/zinc/09/52/71/564095271.db2.gz BQJQAROIJRUFGV-AWEZNQCLSA-N 2 2 325.387 3.871 50 0 EHAALP C[C@@H]([NH2+]Cc1ccc(C2OCCO2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095967976 564143143 /nfs/dbraw/zinc/14/31/43/564143143.db2.gz ONOZDOIVZYNMPV-MRXNPFEDSA-N 2 2 349.434 3.769 50 0 EHAALP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)ccc1F ZINC000055053105 214267465 /nfs/dbraw/zinc/26/74/65/214267465.db2.gz PRYSEYZLDDKNAP-OAQYLSRUSA-N 2 2 346.490 3.922 50 0 EHAALP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)ccc1F ZINC000055053105 214267467 /nfs/dbraw/zinc/26/74/67/214267467.db2.gz PRYSEYZLDDKNAP-OAQYLSRUSA-N 2 2 346.490 3.922 50 0 EHAALP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)ccc1F ZINC000055053105 214267470 /nfs/dbraw/zinc/26/74/70/214267470.db2.gz PRYSEYZLDDKNAP-OAQYLSRUSA-N 2 2 346.490 3.922 50 0 EHAALP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)ccc1F ZINC000055053105 214267472 /nfs/dbraw/zinc/26/74/72/214267472.db2.gz PRYSEYZLDDKNAP-OAQYLSRUSA-N 2 2 346.490 3.922 50 0 EHAALP Cc1cccc2[nH+]c(C3CC[NH+](Cc4cnn(C)c4C4CC4)CC3)[nH]c21 ZINC000072144535 216031052 /nfs/dbraw/zinc/03/10/52/216031052.db2.gz UXRLQBDWXKRBFD-UHFFFAOYSA-N 2 2 349.482 3.862 50 0 EHAALP Cc1cccc2[nH]c(C3CC[NH+](Cc4cnn(C)c4C4CC4)CC3)[nH+]c21 ZINC000072144535 216031055 /nfs/dbraw/zinc/03/10/55/216031055.db2.gz UXRLQBDWXKRBFD-UHFFFAOYSA-N 2 2 349.482 3.862 50 0 EHAALP Cn1ncc(C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1C1CC1 ZINC000072147536 216035670 /nfs/dbraw/zinc/03/56/70/216035670.db2.gz JRCRZJSCZDJKDF-OAHLLOKOSA-N 2 2 349.482 3.629 50 0 EHAALP Cn1ncc(C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1C1CC1 ZINC000072147536 216035671 /nfs/dbraw/zinc/03/56/71/216035671.db2.gz JRCRZJSCZDJKDF-OAHLLOKOSA-N 2 2 349.482 3.629 50 0 EHAALP C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095419991 218360852 /nfs/dbraw/zinc/36/08/52/218360852.db2.gz ABURSOSQCOHTAC-KRWDZBQOSA-N 2 2 347.466 3.718 50 0 EHAALP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1F ZINC000095420520 218362191 /nfs/dbraw/zinc/36/21/91/218362191.db2.gz AKNKYKMZEMUXRM-MRXNPFEDSA-N 2 2 328.431 3.509 50 0 EHAALP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc2ccccc2n1C ZINC000071911967 563591332 /nfs/dbraw/zinc/59/13/32/563591332.db2.gz DBMSRLSVPATPFC-MRXNPFEDSA-N 2 2 337.471 3.558 50 0 EHAALP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc2ccccc2n1C ZINC000071911967 563591334 /nfs/dbraw/zinc/59/13/34/563591334.db2.gz DBMSRLSVPATPFC-MRXNPFEDSA-N 2 2 337.471 3.558 50 0 EHAALP CCCCc1[nH]cc(-c2c(-c3ccccc3)ncn2[C@@H]2CC[NH2+]C2)[nH+]1 ZINC000065420502 563960605 /nfs/dbraw/zinc/96/06/05/563960605.db2.gz RTLDOKRXXUOUMI-MRXNPFEDSA-N 2 2 335.455 3.817 50 0 EHAALP Clc1cccc(N2CCCC2)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000097033878 563966871 /nfs/dbraw/zinc/96/68/71/563966871.db2.gz KPMNYGJSQTVJNO-UHFFFAOYSA-N 2 2 344.890 3.974 50 0 EHAALP CN(Cc1cccc2cnccc21)c1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000077488604 563969959 /nfs/dbraw/zinc/96/99/59/563969959.db2.gz JSPAQJJLJFHZQD-UHFFFAOYSA-N 2 2 329.407 3.511 50 0 EHAALP COc1ccc([C@@H]2[C@@H](C[NH2+][C@@H](C)c3ccc(F)cn3)CC[N@@H+]2C)cc1 ZINC000095983383 564143808 /nfs/dbraw/zinc/14/38/08/564143808.db2.gz UEJVSQZGWMLIJN-YYFZDKIDSA-N 2 2 343.446 3.573 50 0 EHAALP COc1ccc([C@@H]2[C@@H](C[NH2+][C@@H](C)c3ccc(F)cn3)CC[N@H+]2C)cc1 ZINC000095983383 564143809 /nfs/dbraw/zinc/14/38/09/564143809.db2.gz UEJVSQZGWMLIJN-YYFZDKIDSA-N 2 2 343.446 3.573 50 0 EHAALP