smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000100177571 219093745 /nfs/dbraw/zinc/09/37/45/219093745.db2.gz JGEKEQILVNKWPR-NSHGMRRFSA-N 1 3 343.515 3.062 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000100177571 219093749 /nfs/dbraw/zinc/09/37/49/219093749.db2.gz JGEKEQILVNKWPR-NSHGMRRFSA-N 1 3 343.515 3.062 40 0 EGABHO CC(C)[NH+]1CCC2(CC1)C[C@@H](N[C@@H]1CCOC1)c1ccccc1O2 ZINC000096242714 454312116 /nfs/dbraw/zinc/31/21/16/454312116.db2.gz WASXFJZLBZSEFX-SJLPKXTDSA-N 1 3 330.472 3.132 40 0 EGABHO CC(C)[C@H](N)C(=O)N(CC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000079404743 454410976 /nfs/dbraw/zinc/41/09/76/454410976.db2.gz BSZDKXLRQPDDIB-FQEVSTJZSA-N 1 3 345.531 3.119 40 0 EGABHO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000253370822 455836340 /nfs/dbraw/zinc/83/63/40/455836340.db2.gz WSVZFJVBUTWITC-QRVBRYPASA-N 1 3 349.563 3.410 40 0 EGABHO C[C@H](CC(=O)N1CCCCCC1)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000253370822 455836341 /nfs/dbraw/zinc/83/63/41/455836341.db2.gz WSVZFJVBUTWITC-QRVBRYPASA-N 1 3 349.563 3.410 40 0 EGABHO C[C@H](CC(=O)N1CCCCCC1)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000253370822 455836346 /nfs/dbraw/zinc/83/63/46/455836346.db2.gz WSVZFJVBUTWITC-QRVBRYPASA-N 1 3 349.563 3.410 40 0 EGABHO COc1cc(C[N@H+](C)C[C@@H]2CCN(C)C2)ccc1OC1CCCC1 ZINC000057811514 454147871 /nfs/dbraw/zinc/14/78/71/454147871.db2.gz HMUHTKQPTVOTGX-QGZVFWFLSA-N 1 3 332.488 3.400 40 0 EGABHO COc1cc(C[N@@H+](C)C[C@@H]2CCN(C)C2)ccc1OC1CCCC1 ZINC000057811514 454147875 /nfs/dbraw/zinc/14/78/75/454147875.db2.gz HMUHTKQPTVOTGX-QGZVFWFLSA-N 1 3 332.488 3.400 40 0 EGABHO FC(F)(F)CO[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000096484344 454366099 /nfs/dbraw/zinc/36/60/99/454366099.db2.gz CRVXSOWJFNCXPI-KLHDSHLOSA-N 1 3 334.426 3.341 40 0 EGABHO FC(F)(F)CO[C@@H]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484344 454366102 /nfs/dbraw/zinc/36/61/02/454366102.db2.gz CRVXSOWJFNCXPI-KLHDSHLOSA-N 1 3 334.426 3.341 40 0 EGABHO FC(F)(F)CO[C@@H]1CCCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484344 454366109 /nfs/dbraw/zinc/36/61/09/454366109.db2.gz CRVXSOWJFNCXPI-KLHDSHLOSA-N 1 3 334.426 3.341 40 0 EGABHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[N@H+](C)Cc1cnc2ncccn12 ZINC000245316736 455281692 /nfs/dbraw/zinc/28/16/92/455281692.db2.gz KLRXURUBQSOWPT-YLJYHZDGSA-N 1 3 349.482 3.072 40 0 EGABHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[N@@H+](C)Cc1cnc2ncccn12 ZINC000245316736 455281696 /nfs/dbraw/zinc/28/16/96/455281696.db2.gz KLRXURUBQSOWPT-YLJYHZDGSA-N 1 3 349.482 3.072 40 0 EGABHO Cc1cccc(O[C@@H]2CCC[C@H](NCCC[NH+]3CCCCC3)[C@H]2O)c1 ZINC000585289988 459833836 /nfs/dbraw/zinc/83/38/36/459833836.db2.gz YOQYYALNRAZMTR-PWRODBHTSA-N 1 3 346.515 3.121 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C(C)C)CC1 ZINC000100177588 219092964 /nfs/dbraw/zinc/09/29/64/219092964.db2.gz KDBUBLSKJNCTJU-ZCNNSNEGSA-N 1 3 345.531 3.308 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C(C)C)CC1 ZINC000100177588 219092966 /nfs/dbraw/zinc/09/29/66/219092966.db2.gz KDBUBLSKJNCTJU-ZCNNSNEGSA-N 1 3 345.531 3.308 40 0 EGABHO CN1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](CC2CCCCC2)C3)C1 ZINC000019588662 202012391 /nfs/dbraw/zinc/01/23/91/202012391.db2.gz ZSHSPVLIZXLEBA-QGZVFWFLSA-N 1 3 328.504 3.224 40 0 EGABHO CN1CCC[C@@H](c2ncc3c(n2)CC[N@H+](CC2CCCCC2)C3)C1 ZINC000019588662 202012393 /nfs/dbraw/zinc/01/23/93/202012393.db2.gz ZSHSPVLIZXLEBA-QGZVFWFLSA-N 1 3 328.504 3.224 40 0 EGABHO CN1CCC[C@H](c2ncc3c(n2)CC[N@@H+](CC2CCCCC2)C3)C1 ZINC000019588664 202013863 /nfs/dbraw/zinc/01/38/63/202013863.db2.gz ZSHSPVLIZXLEBA-KRWDZBQOSA-N 1 3 328.504 3.224 40 0 EGABHO CN1CCC[C@H](c2ncc3c(n2)CC[N@H+](CC2CCCCC2)C3)C1 ZINC000019588664 202013868 /nfs/dbraw/zinc/01/38/68/202013868.db2.gz ZSHSPVLIZXLEBA-KRWDZBQOSA-N 1 3 328.504 3.224 40 0 EGABHO CC(C)[NH+]1CCC2(CC1)C[C@H](N[C@@H]1CCOC1)c1ccccc1O2 ZINC000096242713 454311768 /nfs/dbraw/zinc/31/17/68/454311768.db2.gz WASXFJZLBZSEFX-AEFFLSMTSA-N 1 3 330.472 3.132 40 0 EGABHO COC[C@@H]1C[N@H+](Cc2ccco2)CC12CCN(Cc1ccoc1)CC2 ZINC000247849487 455650255 /nfs/dbraw/zinc/65/02/55/455650255.db2.gz OBDSXHLQKCXSKS-SFHVURJKSA-N 1 3 344.455 3.233 40 0 EGABHO COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CCN(Cc1ccoc1)CC2 ZINC000247849487 455650259 /nfs/dbraw/zinc/65/02/59/455650259.db2.gz OBDSXHLQKCXSKS-SFHVURJKSA-N 1 3 344.455 3.233 40 0 EGABHO COc1cccc(CN2CCOC[C@@H](CC[NH+]3CCCC3)[C@@H]2C)c1 ZINC000306141869 456566962 /nfs/dbraw/zinc/56/69/62/456566962.db2.gz WITQKHKUTMBDLH-PKOBYXMFSA-N 1 3 332.488 3.018 40 0 EGABHO C[N@H+](Cc1ccncc1)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019586603 202012409 /nfs/dbraw/zinc/01/24/09/202012409.db2.gz DAGQBZNAPKMQKY-UHFFFAOYSA-N 1 3 337.467 3.377 40 0 EGABHO C[N@@H+](Cc1ccncc1)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019586603 202012411 /nfs/dbraw/zinc/01/24/11/202012411.db2.gz DAGQBZNAPKMQKY-UHFFFAOYSA-N 1 3 337.467 3.377 40 0 EGABHO FC(F)(F)CO[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000245289562 455281595 /nfs/dbraw/zinc/28/15/95/455281595.db2.gz CRVXSOWJFNCXPI-FXUDXRNXSA-N 1 3 334.426 3.341 40 0 EGABHO FC(F)(F)CO[C@@H]1CCCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245289562 455281599 /nfs/dbraw/zinc/28/15/99/455281599.db2.gz CRVXSOWJFNCXPI-FXUDXRNXSA-N 1 3 334.426 3.341 40 0 EGABHO FC(F)(F)CO[C@@H]1CCCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245289562 455281601 /nfs/dbraw/zinc/28/16/01/455281601.db2.gz CRVXSOWJFNCXPI-FXUDXRNXSA-N 1 3 334.426 3.341 40 0 EGABHO CN(C[C@H](NC[C@H]1CCC=CO1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000252509052 455817583 /nfs/dbraw/zinc/81/75/83/455817583.db2.gz YBSVSYSDPNQMMK-RTWAWAEBSA-N 1 3 343.515 3.036 40 0 EGABHO COC[C@@H]1C[N@H+](Cc2ccco2)CC12CCN(Cc1ccco1)CC2 ZINC000585102786 459824286 /nfs/dbraw/zinc/82/42/86/459824286.db2.gz FSBDZKLKNYHDMM-KRWDZBQOSA-N 1 3 344.455 3.233 40 0 EGABHO COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CCN(Cc1ccco1)CC2 ZINC000585102786 459824288 /nfs/dbraw/zinc/82/42/88/459824288.db2.gz FSBDZKLKNYHDMM-KRWDZBQOSA-N 1 3 344.455 3.233 40 0 EGABHO C[C@@H]1C[C@H](N(C)Cc2cc[nH]c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000585141367 459830156 /nfs/dbraw/zinc/83/01/56/459830156.db2.gz UNSFVKAQYZODTA-VQIMIIECSA-N 1 3 325.456 3.272 40 0 EGABHO C[C@@H]1C[C@H](N(C)Cc2cc[nH]c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000585141367 459830159 /nfs/dbraw/zinc/83/01/59/459830159.db2.gz UNSFVKAQYZODTA-VQIMIIECSA-N 1 3 325.456 3.272 40 0 EGABHO Cc1cc(N2CCC[C@@H](N3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000518796198 458894026 /nfs/dbraw/zinc/89/40/26/458894026.db2.gz WFDDEWIPOXWGRY-QGZVFWFLSA-N 1 3 325.456 3.234 40 0 EGABHO C[C@H]1C[C@H](N(C)Cc2cc[nH]c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000585141366 459829676 /nfs/dbraw/zinc/82/96/76/459829676.db2.gz UNSFVKAQYZODTA-QFBILLFUSA-N 1 3 325.456 3.272 40 0 EGABHO C[C@H]1C[C@H](N(C)Cc2cc[nH]c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000585141366 459829681 /nfs/dbraw/zinc/82/96/81/459829681.db2.gz UNSFVKAQYZODTA-QFBILLFUSA-N 1 3 325.456 3.272 40 0 EGABHO c1csc([C@H](CNC2CC[NH+](CC3CC3)CC2)N2CCCC2)c1 ZINC000095419058 218358184 /nfs/dbraw/zinc/35/81/84/218358184.db2.gz BJHNDJNCQYNYED-SFHVURJKSA-N 1 3 333.545 3.349 40 0 EGABHO CC1(C)Cc2occc2[C@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)C1 ZINC000096477955 276152184 /nfs/dbraw/zinc/15/21/84/276152184.db2.gz FBLWURCRERIRCJ-CRAIPNDOSA-N 1 3 332.488 3.384 40 0 EGABHO Cc1noc(C)c1CN1CCC2(C[C@H](COCC3CC3)[N@H+](C)C2)CC1 ZINC000096215279 454305991 /nfs/dbraw/zinc/30/59/91/454305991.db2.gz JAVWBJCJEBBLSH-GOSISDBHSA-N 1 3 347.503 3.004 40 0 EGABHO Cc1noc(C)c1CN1CCC2(C[C@H](COCC3CC3)[N@@H+](C)C2)CC1 ZINC000096215279 454305997 /nfs/dbraw/zinc/30/59/97/454305997.db2.gz JAVWBJCJEBBLSH-GOSISDBHSA-N 1 3 347.503 3.004 40 0 EGABHO CC(C)[N@H+](C)C[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)CO1 ZINC000096224942 454308482 /nfs/dbraw/zinc/30/84/82/454308482.db2.gz VVFUYQOBPSHTAB-IBGZPJMESA-N 1 3 331.504 3.183 40 0 EGABHO CC(C)[N@@H+](C)C[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)CO1 ZINC000096224942 454308486 /nfs/dbraw/zinc/30/84/86/454308486.db2.gz VVFUYQOBPSHTAB-IBGZPJMESA-N 1 3 331.504 3.183 40 0 EGABHO CC(C)[NH+]1CCC2(CC1)C[C@H](N[C@H]1CCOC1)c1ccccc1O2 ZINC000096242715 454311049 /nfs/dbraw/zinc/31/10/49/454311049.db2.gz WASXFJZLBZSEFX-WMZOPIPTSA-N 1 3 330.472 3.132 40 0 EGABHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[N@H+](C)Cc1cnc2ncccn12 ZINC000093318756 203185032 /nfs/dbraw/zinc/18/50/32/203185032.db2.gz KLRXURUBQSOWPT-XLIONFOSSA-N 1 3 349.482 3.072 40 0 EGABHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[N@@H+](C)Cc1cnc2ncccn12 ZINC000093318756 203185035 /nfs/dbraw/zinc/18/50/35/203185035.db2.gz KLRXURUBQSOWPT-XLIONFOSSA-N 1 3 349.482 3.072 40 0 EGABHO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000096479062 454364206 /nfs/dbraw/zinc/36/42/06/454364206.db2.gz LDHAHNZXBFJJAJ-INIZCTEOSA-N 1 3 344.524 3.426 40 0 EGABHO C[C@@H](O)[C@]12CN[C@H](c3ccccc3)[C@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000219773655 456036718 /nfs/dbraw/zinc/03/67/18/456036718.db2.gz VYLVOHNDVSEGOP-CIQXWFTPSA-N 1 3 336.479 3.220 40 0 EGABHO C[C@@H](O)[C@]12CN[C@H](c3ccccc3)[C@H]1C[N@@H+](Cc1ccccc1)CC2 ZINC000219773655 456036722 /nfs/dbraw/zinc/03/67/22/456036722.db2.gz VYLVOHNDVSEGOP-CIQXWFTPSA-N 1 3 336.479 3.220 40 0 EGABHO Cc1nc2c(n1C(C)C)CNCC21CC[NH+](Cc2ccccc2)CC1 ZINC000306138212 456567536 /nfs/dbraw/zinc/56/75/36/456567536.db2.gz RSJVTMKXGRBPDN-UHFFFAOYSA-N 1 3 338.499 3.409 40 0 EGABHO CCCc1cccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000187175052 528634114 /nfs/dbraw/zinc/63/41/14/528634114.db2.gz RWJSHMKCENEDFI-UHFFFAOYSA-N 1 3 329.532 3.287 40 0 EGABHO CCN1CCC2(CC1)C[N@H+](C[C@@H]1CCOC1)Cc1cc(C)ccc1O2 ZINC000072394197 279263101 /nfs/dbraw/zinc/26/31/01/279263101.db2.gz NGUDKTYCSQSNLN-SFHVURJKSA-N 1 3 344.499 3.080 40 0 EGABHO CCN1CCC2(CC1)C[N@@H+](C[C@@H]1CCOC1)Cc1cc(C)ccc1O2 ZINC000072394197 279263102 /nfs/dbraw/zinc/26/31/02/279263102.db2.gz NGUDKTYCSQSNLN-SFHVURJKSA-N 1 3 344.499 3.080 40 0 EGABHO COc1cc(C[N@H+](C)C[C@H]2CCN(C)C2)ccc1OC1CCCC1 ZINC000057811511 454148086 /nfs/dbraw/zinc/14/80/86/454148086.db2.gz HMUHTKQPTVOTGX-KRWDZBQOSA-N 1 3 332.488 3.400 40 0 EGABHO COc1cc(C[N@@H+](C)C[C@H]2CCN(C)C2)ccc1OC1CCCC1 ZINC000057811511 454148088 /nfs/dbraw/zinc/14/80/88/454148088.db2.gz HMUHTKQPTVOTGX-KRWDZBQOSA-N 1 3 332.488 3.400 40 0 EGABHO CCN1CC[C@@H]([NH2+]Cc2cccc(Cn3ccnc3C)c2)[C@@H](C)C1 ZINC000195540528 455981987 /nfs/dbraw/zinc/98/19/87/455981987.db2.gz YQLYZKMTILYNAT-OXJNMPFZSA-N 1 3 326.488 3.060 40 0 EGABHO CC[N@@H+]1CC[C@@H](NCc2cccc(Cn3ccnc3C)c2)[C@@H](C)C1 ZINC000195540528 455981992 /nfs/dbraw/zinc/98/19/92/455981992.db2.gz YQLYZKMTILYNAT-OXJNMPFZSA-N 1 3 326.488 3.060 40 0 EGABHO CC[N@H+]1CC[C@@H](NCc2cccc(Cn3ccnc3C)c2)[C@@H](C)C1 ZINC000195540528 455981994 /nfs/dbraw/zinc/98/19/94/455981994.db2.gz YQLYZKMTILYNAT-OXJNMPFZSA-N 1 3 326.488 3.060 40 0 EGABHO c1ccc(CN2CCCC[C@@H]2c2cccnc2N2CC[NH2+]CC2)cc1 ZINC000072216368 454273645 /nfs/dbraw/zinc/27/36/45/454273645.db2.gz QZLMWDVOBILXFU-HXUWFJFHSA-N 1 3 336.483 3.218 40 0 EGABHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[N@H+](C)Cc1cnc2ncccn12 ZINC000245316735 455281836 /nfs/dbraw/zinc/28/18/36/455281836.db2.gz KLRXURUBQSOWPT-FXAWDEMLSA-N 1 3 349.482 3.072 40 0 EGABHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[N@@H+](C)Cc1cnc2ncccn12 ZINC000245316735 455281838 /nfs/dbraw/zinc/28/18/38/455281838.db2.gz KLRXURUBQSOWPT-FXAWDEMLSA-N 1 3 349.482 3.072 40 0 EGABHO C[C@@H](CCN1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1)c1ccccc1 ZINC000248235430 455700327 /nfs/dbraw/zinc/70/03/27/455700327.db2.gz MHPFOXIEDHMHNR-OXJNMPFZSA-N 1 3 336.483 3.453 40 0 EGABHO COc1ccc([C@H](C)[NH2+]C2CCN(C)CC2)cc1CN1CCCC1 ZINC000096491549 277931181 /nfs/dbraw/zinc/93/11/81/277931181.db2.gz IACTURIARCDKFI-INIZCTEOSA-N 1 3 331.504 3.036 40 0 EGABHO Cc1ncsc1CN1CCC2(C[C@H](COCC3CC3)[N@H+](C)C2)CC1 ZINC000096208938 454304878 /nfs/dbraw/zinc/30/48/78/454304878.db2.gz WFRCSQMGZUGUSP-QGZVFWFLSA-N 1 3 349.544 3.164 40 0 EGABHO Cc1ncsc1CN1CCC2(C[C@H](COCC3CC3)[N@@H+](C)C2)CC1 ZINC000096208938 454304885 /nfs/dbraw/zinc/30/48/85/454304885.db2.gz WFRCSQMGZUGUSP-QGZVFWFLSA-N 1 3 349.544 3.164 40 0 EGABHO C[C@@H](CCN1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1)c1ccccc1 ZINC000248241378 455700521 /nfs/dbraw/zinc/70/05/21/455700521.db2.gz OOFAILVYZMZMAE-WMZOPIPTSA-N 1 3 336.483 3.105 40 0 EGABHO CC[NH+](CC)C[C@H]1CC2(CCN(Cc3ccccc3N(C)C)CC2)O1 ZINC000306142763 456567957 /nfs/dbraw/zinc/56/79/57/456567957.db2.gz XIWMIKKYXFIIKN-LJQANCHMSA-N 1 3 345.531 3.218 40 0 EGABHO Cc1ncsc1CN1CCC2(C[N@H+](C)C[C@@H]2COCC2CC2)CC1 ZINC000585102656 459824339 /nfs/dbraw/zinc/82/43/39/459824339.db2.gz ABSUOFCCRYORMA-QGZVFWFLSA-N 1 3 349.544 3.022 40 0 EGABHO Cc1ncsc1CN1CCC2(C[N@@H+](C)C[C@@H]2COCC2CC2)CC1 ZINC000585102656 459824340 /nfs/dbraw/zinc/82/43/40/459824340.db2.gz ABSUOFCCRYORMA-QGZVFWFLSA-N 1 3 349.544 3.022 40 0 EGABHO CN(C[C@@H](NC[C@H]1CCC=CO1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000252509051 455817559 /nfs/dbraw/zinc/81/75/59/455817559.db2.gz YBSVSYSDPNQMMK-NHCUHLMSSA-N 1 3 343.515 3.036 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C(C)C)CC1 ZINC000242543515 455271665 /nfs/dbraw/zinc/27/16/65/455271665.db2.gz KDBUBLSKJNCTJU-UFYCRDLUSA-N 1 3 345.531 3.308 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C(C)C)CC1 ZINC000242543515 455271671 /nfs/dbraw/zinc/27/16/71/455271671.db2.gz KDBUBLSKJNCTJU-UFYCRDLUSA-N 1 3 345.531 3.308 40 0 EGABHO CC(C)COC(=O)N1CCC([NH2+]C2CC(C)(C)NC(C)(C)C2)CC1 ZINC000097231776 454427201 /nfs/dbraw/zinc/42/72/01/454427201.db2.gz UDTVYULHHMSEAC-UHFFFAOYSA-N 1 3 339.524 3.142 40 0 EGABHO C[C@H](CCN1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1)c1ccccc1 ZINC000019455733 212029835 /nfs/dbraw/zinc/02/98/35/212029835.db2.gz OOFAILVYZMZMAE-SJLPKXTDSA-N 1 3 336.483 3.105 40 0 EGABHO C[C@H](O)[C@]12CN[C@H](c3ccccc3)[C@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000219773584 278301154 /nfs/dbraw/zinc/30/11/54/278301154.db2.gz VYLVOHNDVSEGOP-UPZYVNNASA-N 1 3 336.479 3.220 40 0 EGABHO C[C@H](O)[C@]12CN[C@H](c3ccccc3)[C@H]1C[N@@H+](Cc1ccccc1)CC2 ZINC000219773584 278301157 /nfs/dbraw/zinc/30/11/57/278301157.db2.gz VYLVOHNDVSEGOP-UPZYVNNASA-N 1 3 336.479 3.220 40 0 EGABHO O=C(NCCC[NH+]1CCCCC1)c1ccc(CN2CCCCC2)cc1 ZINC000013669016 453478156 /nfs/dbraw/zinc/47/81/56/453478156.db2.gz VRQOPTDJANKWQM-UHFFFAOYSA-N 1 3 343.515 3.278 40 0 EGABHO CCN1CC[C@@H]([NH2+]Cc2cccc(Cn3ccnc3C)c2)[C@H](C)C1 ZINC000096476577 454363218 /nfs/dbraw/zinc/36/32/18/454363218.db2.gz YQLYZKMTILYNAT-OXQOHEQNSA-N 1 3 326.488 3.060 40 0 EGABHO CC[N@@H+]1CC[C@@H](NCc2cccc(Cn3ccnc3C)c2)[C@H](C)C1 ZINC000096476577 454363223 /nfs/dbraw/zinc/36/32/23/454363223.db2.gz YQLYZKMTILYNAT-OXQOHEQNSA-N 1 3 326.488 3.060 40 0 EGABHO CC[N@H+]1CC[C@@H](NCc2cccc(Cn3ccnc3C)c2)[C@H](C)C1 ZINC000096476577 454363225 /nfs/dbraw/zinc/36/32/25/454363225.db2.gz YQLYZKMTILYNAT-OXQOHEQNSA-N 1 3 326.488 3.060 40 0 EGABHO CC1(C)Cc2occc2[C@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC000096477951 454364439 /nfs/dbraw/zinc/36/44/39/454364439.db2.gz FBLWURCRERIRCJ-MAUKXSAKSA-N 1 3 332.488 3.384 40 0 EGABHO FC(F)(F)CO[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000245289563 303115801 /nfs/dbraw/zinc/11/58/01/303115801.db2.gz CRVXSOWJFNCXPI-LVQVYYBASA-N 1 3 334.426 3.341 40 0 EGABHO FC(F)(F)CO[C@@H]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245289563 303115802 /nfs/dbraw/zinc/11/58/02/303115802.db2.gz CRVXSOWJFNCXPI-LVQVYYBASA-N 1 3 334.426 3.341 40 0 EGABHO FC(F)(F)CO[C@@H]1CCCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245289563 303115804 /nfs/dbraw/zinc/11/58/04/303115804.db2.gz CRVXSOWJFNCXPI-LVQVYYBASA-N 1 3 334.426 3.341 40 0 EGABHO Cn1cc(CN2CCC3(CC2)CC[NH+](Cc2cccs2)CC3)cn1 ZINC000096047186 454269929 /nfs/dbraw/zinc/26/99/29/454269929.db2.gz YYHMEWGSTNFCST-UHFFFAOYSA-N 1 3 344.528 3.360 40 0 EGABHO Cc1ccc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)o1 ZINC000096046509 454270132 /nfs/dbraw/zinc/27/01/32/454270132.db2.gz LNHUNLHDJLTGKP-UHFFFAOYSA-N 1 3 325.456 3.471 40 0 EGABHO Cc1ccc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)o1 ZINC000096046509 454270140 /nfs/dbraw/zinc/27/01/40/454270140.db2.gz LNHUNLHDJLTGKP-UHFFFAOYSA-N 1 3 325.456 3.471 40 0 EGABHO CC(C)[N@H+](C)C[C@H]1CCC2(CCN(Cc3cccnc3)CC2)CO1 ZINC000096224943 454309490 /nfs/dbraw/zinc/30/94/90/454309490.db2.gz VVFUYQOBPSHTAB-LJQANCHMSA-N 1 3 331.504 3.183 40 0 EGABHO CC(C)[N@@H+](C)C[C@H]1CCC2(CCN(Cc3cccnc3)CC2)CO1 ZINC000096224943 454309492 /nfs/dbraw/zinc/30/94/92/454309492.db2.gz VVFUYQOBPSHTAB-LJQANCHMSA-N 1 3 331.504 3.183 40 0 EGABHO CC1(C)Cc2occc2[C@@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC000096477953 454363813 /nfs/dbraw/zinc/36/38/13/454363813.db2.gz FBLWURCRERIRCJ-YJBOKZPZSA-N 1 3 332.488 3.384 40 0 EGABHO C[C@@H](CCN1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1)c1ccccc1 ZINC000019455730 212029350 /nfs/dbraw/zinc/02/93/50/212029350.db2.gz OOFAILVYZMZMAE-FUHWJXTLSA-N 1 3 336.483 3.105 40 0 EGABHO C[C@@](O)(CNC1CC[NH+](CCc2ccccc2)CC1)c1cccs1 ZINC000095422983 218364929 /nfs/dbraw/zinc/36/49/29/218364929.db2.gz QLWWFMZHSRRYKW-HXUWFJFHSA-N 1 3 344.524 3.252 40 0 EGABHO CC(C)[C@H](N)C(=O)N1CCCC[C@H]1C[N@H+](Cc1ccccc1)C(C)C ZINC000079415913 276019882 /nfs/dbraw/zinc/01/98/82/276019882.db2.gz NQYRQKSOZFSDLG-PMACEKPBSA-N 1 3 345.531 3.261 40 0 EGABHO CC(C)[C@H](N)C(=O)N1CCCC[C@H]1C[N@@H+](Cc1ccccc1)C(C)C ZINC000079415913 276019884 /nfs/dbraw/zinc/01/98/84/276019884.db2.gz NQYRQKSOZFSDLG-PMACEKPBSA-N 1 3 345.531 3.261 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[N@H+](Cc1ccccc1)C1CC1 ZINC000079415963 280275378 /nfs/dbraw/zinc/27/53/78/280275378.db2.gz SHIQZZNATFIIEU-ZCNNSNEGSA-N 1 3 343.515 3.062 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[N@@H+](Cc1ccccc1)C1CC1 ZINC000079415963 280275379 /nfs/dbraw/zinc/27/53/79/280275379.db2.gz SHIQZZNATFIIEU-ZCNNSNEGSA-N 1 3 343.515 3.062 40 0 EGABHO CC(C)Oc1ccc(CNCC[C@@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013765782 453488389 /nfs/dbraw/zinc/48/83/89/453488389.db2.gz VTZLVAXMWLFFNO-SQGPQFPESA-N 1 3 334.504 3.045 40 0 EGABHO CC(C)Oc1ccc(CNCC[C@@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013765782 453488398 /nfs/dbraw/zinc/48/83/98/453488398.db2.gz VTZLVAXMWLFFNO-SQGPQFPESA-N 1 3 334.504 3.045 40 0 EGABHO C[N@@H+]1C[C@H](COCC2CC2)C2(C1)CCN(Cc1ccsc1)CC2 ZINC000585104249 459823720 /nfs/dbraw/zinc/82/37/20/459823720.db2.gz XHXKJSCUBTUAHP-GOSISDBHSA-N 1 3 334.529 3.319 40 0 EGABHO C[N@H+]1C[C@H](COCC2CC2)C2(C1)CCN(Cc1ccsc1)CC2 ZINC000585104249 459823724 /nfs/dbraw/zinc/82/37/24/459823724.db2.gz XHXKJSCUBTUAHP-GOSISDBHSA-N 1 3 334.529 3.319 40 0 EGABHO COC[C@H]1C[N@H+](Cc2ccco2)CC12CCN(Cc1ccco1)CC2 ZINC000585102787 459824147 /nfs/dbraw/zinc/82/41/47/459824147.db2.gz FSBDZKLKNYHDMM-QGZVFWFLSA-N 1 3 344.455 3.233 40 0 EGABHO COC[C@H]1C[N@@H+](Cc2ccco2)CC12CCN(Cc1ccco1)CC2 ZINC000585102787 459824151 /nfs/dbraw/zinc/82/41/51/459824151.db2.gz FSBDZKLKNYHDMM-QGZVFWFLSA-N 1 3 344.455 3.233 40 0 EGABHO Cc1ccccc1O[C@@H]1CCC[C@H](NCCC[NH+]2CCCCC2)[C@H]1O ZINC000585289670 459833370 /nfs/dbraw/zinc/83/33/70/459833370.db2.gz UONWOFDPBNOCBV-CEWLAPEOSA-N 1 3 346.515 3.121 40 0 EGABHO CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(CCCCc2ccccc2)cc1 ZINC000001715691 452675693 /nfs/dbraw/zinc/67/56/93/452675693.db2.gz RHDNKXYQUZIPEI-UHFFFAOYSA-N 1 3 349.482 3.438 40 0 EGABHO CCN1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3C)c2)[C@H](C)C1 ZINC000096476575 454363190 /nfs/dbraw/zinc/36/31/90/454363190.db2.gz YQLYZKMTILYNAT-UZLBHIALSA-N 1 3 326.488 3.060 40 0 EGABHO CC[N@@H+]1CC[C@H](NCc2cccc(Cn3ccnc3C)c2)[C@H](C)C1 ZINC000096476575 454363196 /nfs/dbraw/zinc/36/31/96/454363196.db2.gz YQLYZKMTILYNAT-UZLBHIALSA-N 1 3 326.488 3.060 40 0 EGABHO CC[N@H+]1CC[C@H](NCc2cccc(Cn3ccnc3C)c2)[C@H](C)C1 ZINC000096476575 454363199 /nfs/dbraw/zinc/36/31/99/454363199.db2.gz YQLYZKMTILYNAT-UZLBHIALSA-N 1 3 326.488 3.060 40 0 EGABHO CC(C)[C@H](N)C(=O)N1CCC(C[N@H+](Cc2ccccc2)C(C)C)CC1 ZINC000079391070 217217706 /nfs/dbraw/zinc/21/77/06/217217706.db2.gz LUDDDOBGGBGOFE-FQEVSTJZSA-N 1 3 345.531 3.119 40 0 EGABHO CC(C)[C@H](N)C(=O)N1CCC(C[N@@H+](Cc2ccccc2)C(C)C)CC1 ZINC000079391070 217217710 /nfs/dbraw/zinc/21/77/10/217217710.db2.gz LUDDDOBGGBGOFE-FQEVSTJZSA-N 1 3 345.531 3.119 40 0 EGABHO C[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(Cc1cccs1)CC2 ZINC000585102748 459824446 /nfs/dbraw/zinc/82/44/46/459824446.db2.gz CWGIEORXMUQOIH-KRWDZBQOSA-N 1 3 334.529 3.319 40 0 EGABHO C[N@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(Cc1cccs1)CC2 ZINC000585102748 459824449 /nfs/dbraw/zinc/82/44/49/459824449.db2.gz CWGIEORXMUQOIH-KRWDZBQOSA-N 1 3 334.529 3.319 40 0 EGABHO CN(C)Cc1cccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000044292893 454095571 /nfs/dbraw/zinc/09/55/71/454095571.db2.gz GLHOBROVDIDXNU-UHFFFAOYSA-N 1 3 332.492 3.179 40 0 EGABHO FC(F)(F)CO[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000096484343 454366503 /nfs/dbraw/zinc/36/65/03/454366503.db2.gz CRVXSOWJFNCXPI-FPCVCCKLSA-N 1 3 334.426 3.341 40 0 EGABHO FC(F)(F)CO[C@H]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484343 454366508 /nfs/dbraw/zinc/36/65/08/454366508.db2.gz CRVXSOWJFNCXPI-FPCVCCKLSA-N 1 3 334.426 3.341 40 0 EGABHO FC(F)(F)CO[C@H]1CCCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484343 454366514 /nfs/dbraw/zinc/36/65/14/454366514.db2.gz CRVXSOWJFNCXPI-FPCVCCKLSA-N 1 3 334.426 3.341 40 0 EGABHO FC(F)(F)CO[C@H]1CCCC[C@H]1C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000096484341 454366741 /nfs/dbraw/zinc/36/67/41/454366741.db2.gz CRVXSOWJFNCXPI-JJXSEGSLSA-N 1 3 334.426 3.341 40 0 EGABHO FC(F)(F)CO[C@H]1CCCC[C@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484341 454366746 /nfs/dbraw/zinc/36/67/46/454366746.db2.gz CRVXSOWJFNCXPI-JJXSEGSLSA-N 1 3 334.426 3.341 40 0 EGABHO FC(F)(F)CO[C@H]1CCCC[C@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484341 454366748 /nfs/dbraw/zinc/36/67/48/454366748.db2.gz CRVXSOWJFNCXPI-JJXSEGSLSA-N 1 3 334.426 3.341 40 0 EGABHO Cc1cc(N2CCC[C@H](N3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000518796197 458894402 /nfs/dbraw/zinc/89/44/02/458894402.db2.gz WFDDEWIPOXWGRY-KRWDZBQOSA-N 1 3 325.456 3.234 40 0 EGABHO Cc1ccc(CN2CCC3(CC[N@@H+](C4CCOCC4)C3)CC2)cc1 ZINC000096157620 454294757 /nfs/dbraw/zinc/29/47/57/454294757.db2.gz RLCGFZCRIWHPHI-UHFFFAOYSA-N 1 3 328.500 3.462 40 0 EGABHO Cc1ccc(CN2CCC3(CC[N@H+](C4CCOCC4)C3)CC2)cc1 ZINC000096157620 454294761 /nfs/dbraw/zinc/29/47/61/454294761.db2.gz RLCGFZCRIWHPHI-UHFFFAOYSA-N 1 3 328.500 3.462 40 0 EGABHO c1ccc(CN2CCCC[C@@H]2c2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC000072216308 454274117 /nfs/dbraw/zinc/27/41/17/454274117.db2.gz DIADBPAAACHMEZ-HXUWFJFHSA-N 1 3 336.483 3.218 40 0 EGABHO Cc1noc(C)c1CN1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000096157406 454293794 /nfs/dbraw/zinc/29/37/94/454293794.db2.gz BKZMHNRZGQIVDZ-UHFFFAOYSA-N 1 3 340.471 3.175 40 0 EGABHO Cc1noc(C)c1CN1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096157406 454293800 /nfs/dbraw/zinc/29/38/00/454293800.db2.gz BKZMHNRZGQIVDZ-UHFFFAOYSA-N 1 3 340.471 3.175 40 0 EGABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)C(C)C)C1 ZINC000079391065 454407458 /nfs/dbraw/zinc/40/74/58/454407458.db2.gz QOKZJPPMIXCQIK-UXHICEINSA-N 1 3 345.531 3.119 40 0 EGABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2)C(C)C)C1 ZINC000079391065 454407463 /nfs/dbraw/zinc/40/74/63/454407463.db2.gz QOKZJPPMIXCQIK-UXHICEINSA-N 1 3 345.531 3.119 40 0 EGABHO Cc1ncc2cc(C3(C)CC[NH+](Cc4cccnc4)CC3)nc(C)n21 ZINC000257209628 244145714 /nfs/dbraw/zinc/14/57/14/244145714.db2.gz BRESPDXFMZVQKJ-UHFFFAOYSA-N 1 3 335.455 3.295 40 0 EGABHO CSCC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(CN(C)C)cc1 ZINC000019583576 212047452 /nfs/dbraw/zinc/04/74/52/212047452.db2.gz SORKLGIZSMTPTC-VQTJNVASSA-N 1 3 347.572 3.150 40 0 EGABHO CSCC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(CN(C)C)cc1 ZINC000019583576 212047453 /nfs/dbraw/zinc/04/74/53/212047453.db2.gz SORKLGIZSMTPTC-VQTJNVASSA-N 1 3 347.572 3.150 40 0 EGABHO CC(C)[C@H](N)C(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)C(C)C)C1 ZINC000079391062 217217281 /nfs/dbraw/zinc/21/72/81/217217281.db2.gz QOKZJPPMIXCQIK-PMACEKPBSA-N 1 3 345.531 3.119 40 0 EGABHO CC(C)[C@H](N)C(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2)C(C)C)C1 ZINC000079391062 217217283 /nfs/dbraw/zinc/21/72/83/217217283.db2.gz QOKZJPPMIXCQIK-PMACEKPBSA-N 1 3 345.531 3.119 40 0 EGABHO C[C@H](Cc1ccsc1)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000096479064 218855043 /nfs/dbraw/zinc/85/50/43/218855043.db2.gz LDHAHNZXBFJJAJ-MRXNPFEDSA-N 1 3 344.524 3.426 40 0 EGABHO Cc1ccc2c(c1)[C@H](NC1CC[NH+](C[C@@H]3CCOC3)CC1)[C@@H](C)C2 ZINC000195553600 281116297 /nfs/dbraw/zinc/11/62/97/281116297.db2.gz NMWRACKFUNUYRX-XGHQBKJUSA-N 1 3 328.500 3.319 40 0 EGABHO Cc1ccc2c(c1)[C@H](NC1CC[NH+](C[C@H]3CCOC3)CC1)[C@@H](C)C2 ZINC000195553604 281116354 /nfs/dbraw/zinc/11/63/54/281116354.db2.gz NMWRACKFUNUYRX-CSODHUTKSA-N 1 3 328.500 3.319 40 0 EGABHO FC(F)(F)CO[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000096484342 454366633 /nfs/dbraw/zinc/36/66/33/454366633.db2.gz CRVXSOWJFNCXPI-ZJIFWQFVSA-N 1 3 334.426 3.341 40 0 EGABHO FC(F)(F)CO[C@@H]1CCCC[C@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484342 454366636 /nfs/dbraw/zinc/36/66/36/454366636.db2.gz CRVXSOWJFNCXPI-ZJIFWQFVSA-N 1 3 334.426 3.341 40 0 EGABHO FC(F)(F)CO[C@@H]1CCCC[C@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484342 454366640 /nfs/dbraw/zinc/36/66/40/454366640.db2.gz CRVXSOWJFNCXPI-ZJIFWQFVSA-N 1 3 334.426 3.341 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[N@H+](Cc1ccccc1)C1CC1 ZINC000079415956 454412189 /nfs/dbraw/zinc/41/21/89/454412189.db2.gz SHIQZZNATFIIEU-UFYCRDLUSA-N 1 3 343.515 3.062 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[N@@H+](Cc1ccccc1)C1CC1 ZINC000079415956 454412194 /nfs/dbraw/zinc/41/21/94/454412194.db2.gz SHIQZZNATFIIEU-UFYCRDLUSA-N 1 3 343.515 3.062 40 0 EGABHO Cc1ccc(CN2CCC3(C[N@H+](C)C[C@@H]3COCC3CC3)CC2)o1 ZINC000248122990 455682838 /nfs/dbraw/zinc/68/28/38/455682838.db2.gz KRBGZWOZGCOUAA-GOSISDBHSA-N 1 3 332.488 3.158 40 0 EGABHO Cc1ccc(CN2CCC3(C[N@@H+](C)C[C@@H]3COCC3CC3)CC2)o1 ZINC000248122990 455682844 /nfs/dbraw/zinc/68/28/44/455682844.db2.gz KRBGZWOZGCOUAA-GOSISDBHSA-N 1 3 332.488 3.158 40 0 EGABHO Cc1noc(C)c1CN1CCC2(C[C@@H](COCC3CC3)[N@H+](C)C2)CC1 ZINC000096215283 454305550 /nfs/dbraw/zinc/30/55/50/454305550.db2.gz JAVWBJCJEBBLSH-SFHVURJKSA-N 1 3 347.503 3.004 40 0 EGABHO Cc1noc(C)c1CN1CCC2(C[C@@H](COCC3CC3)[N@@H+](C)C2)CC1 ZINC000096215283 454305556 /nfs/dbraw/zinc/30/55/56/454305556.db2.gz JAVWBJCJEBBLSH-SFHVURJKSA-N 1 3 347.503 3.004 40 0 EGABHO CCN1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3C)c2)[C@@H](C)C1 ZINC000195540529 455982619 /nfs/dbraw/zinc/98/26/19/455982619.db2.gz YQLYZKMTILYNAT-JXFKEZNVSA-N 1 3 326.488 3.060 40 0 EGABHO CC[N@@H+]1CC[C@H](NCc2cccc(Cn3ccnc3C)c2)[C@@H](C)C1 ZINC000195540529 455982626 /nfs/dbraw/zinc/98/26/26/455982626.db2.gz YQLYZKMTILYNAT-JXFKEZNVSA-N 1 3 326.488 3.060 40 0 EGABHO CC[N@H+]1CC[C@H](NCc2cccc(Cn3ccnc3C)c2)[C@@H](C)C1 ZINC000195540529 455982631 /nfs/dbraw/zinc/98/26/31/455982631.db2.gz YQLYZKMTILYNAT-JXFKEZNVSA-N 1 3 326.488 3.060 40 0 EGABHO Cc1cccc(O[C@@H]2CCC[C@H](NC3CC[NH+](C(C)C)CC3)[C@H]2O)c1 ZINC000585289167 459833221 /nfs/dbraw/zinc/83/32/21/459833221.db2.gz NGLWDNYTZUFXFI-PWRODBHTSA-N 1 3 346.515 3.118 40 0 EGABHO CCN1CCC2(CC1)C[N@H+](C[C@H]1CCOC1)Cc1cc(C)ccc1O2 ZINC000072394198 276360488 /nfs/dbraw/zinc/36/04/88/276360488.db2.gz NGUDKTYCSQSNLN-GOSISDBHSA-N 1 3 344.499 3.080 40 0 EGABHO CCN1CCC2(CC1)C[N@@H+](C[C@H]1CCOC1)Cc1cc(C)ccc1O2 ZINC000072394198 276360489 /nfs/dbraw/zinc/36/04/89/276360489.db2.gz NGUDKTYCSQSNLN-GOSISDBHSA-N 1 3 344.499 3.080 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[N@H+](Cc1ccccc1)C(C)C ZINC000079391074 454407016 /nfs/dbraw/zinc/40/70/16/454407016.db2.gz NOQGYEHQDWULFR-UFYCRDLUSA-N 1 3 345.531 3.308 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1[N@@H+](Cc1ccccc1)C(C)C ZINC000079391074 454407020 /nfs/dbraw/zinc/40/70/20/454407020.db2.gz NOQGYEHQDWULFR-UFYCRDLUSA-N 1 3 345.531 3.308 40 0 EGABHO Cc1ccc(CN2CCC3(C[N@H+](C)C[C@H]3COCC3CC3)CC2)o1 ZINC000248122994 455682700 /nfs/dbraw/zinc/68/27/00/455682700.db2.gz KRBGZWOZGCOUAA-SFHVURJKSA-N 1 3 332.488 3.158 40 0 EGABHO Cc1ccc(CN2CCC3(C[N@@H+](C)C[C@H]3COCC3CC3)CC2)o1 ZINC000248122994 455682706 /nfs/dbraw/zinc/68/27/06/455682706.db2.gz KRBGZWOZGCOUAA-SFHVURJKSA-N 1 3 332.488 3.158 40 0 EGABHO C[N@@H+]1C[C@H](COCC2CC2)C2(C1)CCN(Cc1cccs1)CC2 ZINC000585102749 459824004 /nfs/dbraw/zinc/82/40/04/459824004.db2.gz CWGIEORXMUQOIH-QGZVFWFLSA-N 1 3 334.529 3.319 40 0 EGABHO C[N@H+]1C[C@H](COCC2CC2)C2(C1)CCN(Cc1cccs1)CC2 ZINC000585102749 459824009 /nfs/dbraw/zinc/82/40/09/459824009.db2.gz CWGIEORXMUQOIH-QGZVFWFLSA-N 1 3 334.529 3.319 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[N@H+](Cc1ccccc1)C1CC1 ZINC000079415961 280274724 /nfs/dbraw/zinc/27/47/24/280274724.db2.gz SHIQZZNATFIIEU-AQNXPRMDSA-N 1 3 343.515 3.062 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[N@@H+](Cc1ccccc1)C1CC1 ZINC000079415961 280274726 /nfs/dbraw/zinc/27/47/26/280274726.db2.gz SHIQZZNATFIIEU-AQNXPRMDSA-N 1 3 343.515 3.062 40 0 EGABHO CN(Cc1ccco1)[C@H]1CCC12CC[NH+](CC1CCOCC1)CC2 ZINC000096051599 454273272 /nfs/dbraw/zinc/27/32/72/454273272.db2.gz ZVZIVEMSLMFUAB-IBGZPJMESA-N 1 3 332.488 3.383 40 0 EGABHO CC(C)[C@H](N)C(=O)NC1CCC([N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079415946 454411785 /nfs/dbraw/zinc/41/17/85/454411785.db2.gz JGEKEQILVNKWPR-QLOJAFMTSA-N 1 3 343.515 3.062 40 0 EGABHO CC(C)[C@H](N)C(=O)NC1CCC([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079415946 454411788 /nfs/dbraw/zinc/41/17/88/454411788.db2.gz JGEKEQILVNKWPR-QLOJAFMTSA-N 1 3 343.515 3.062 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000242538772 455271225 /nfs/dbraw/zinc/27/12/25/455271225.db2.gz JGEKEQILVNKWPR-BJLQDIEVSA-N 1 3 343.515 3.062 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000242538772 455271229 /nfs/dbraw/zinc/27/12/29/455271229.db2.gz JGEKEQILVNKWPR-BJLQDIEVSA-N 1 3 343.515 3.062 40 0 EGABHO CC(C)N1CCN(CCC[N@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000225723920 535199616 /nfs/dbraw/zinc/19/96/16/535199616.db2.gz IXTPBBGJRCVTGM-UHFFFAOYSA-N 1 3 328.504 3.016 40 0 EGABHO CC(C)N1CCN(CCC[N@@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000225723920 535199624 /nfs/dbraw/zinc/19/96/24/535199624.db2.gz IXTPBBGJRCVTGM-UHFFFAOYSA-N 1 3 328.504 3.016 40 0 EGABHO FC(F)(F)CO[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000245289564 303115769 /nfs/dbraw/zinc/11/57/69/303115769.db2.gz CRVXSOWJFNCXPI-QKPAOTATSA-N 1 3 334.426 3.341 40 0 EGABHO FC(F)(F)CO[C@@H]1CCCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000245289564 303115770 /nfs/dbraw/zinc/11/57/70/303115770.db2.gz CRVXSOWJFNCXPI-QKPAOTATSA-N 1 3 334.426 3.341 40 0 EGABHO FC(F)(F)CO[C@@H]1CCCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000245289564 303115771 /nfs/dbraw/zinc/11/57/71/303115771.db2.gz CRVXSOWJFNCXPI-QKPAOTATSA-N 1 3 334.426 3.341 40 0 EGABHO C[C@H](CCN1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1)c1ccccc1 ZINC000019455724 202009340 /nfs/dbraw/zinc/00/93/40/202009340.db2.gz MHPFOXIEDHMHNR-UZLBHIALSA-N 1 3 336.483 3.453 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[N@H+](Cc1ccccc1)C(C)C ZINC000079391076 454406997 /nfs/dbraw/zinc/40/69/97/454406997.db2.gz NOQGYEHQDWULFR-ZCNNSNEGSA-N 1 3 345.531 3.308 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1[N@@H+](Cc1ccccc1)C(C)C ZINC000079391076 454407002 /nfs/dbraw/zinc/40/70/02/454407002.db2.gz NOQGYEHQDWULFR-ZCNNSNEGSA-N 1 3 345.531 3.308 40 0 EGABHO FC(F)(F)c1c[nH]c(C2CC[NH+](CCCN3CCCCC3)CC2)n1 ZINC000097103371 454407060 /nfs/dbraw/zinc/40/70/60/454407060.db2.gz OYHKNDJBVPBNPW-UHFFFAOYSA-N 1 3 344.425 3.484 40 0 EGABHO COC[C@@H]1CC2(C[N@@H+]1C(C)C)CCN(Cc1ccc(OC)cc1)CC2 ZINC000096051759 454272978 /nfs/dbraw/zinc/27/29/78/454272978.db2.gz JPOACAZTTNCJSI-IBGZPJMESA-N 1 3 346.515 3.407 40 0 EGABHO COC[C@@H]1CC2(C[N@H+]1C(C)C)CCN(Cc1ccc(OC)cc1)CC2 ZINC000096051759 454272980 /nfs/dbraw/zinc/27/29/80/454272980.db2.gz JPOACAZTTNCJSI-IBGZPJMESA-N 1 3 346.515 3.407 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[N@H+](Cc1ccccc1)C(C)C ZINC000079391075 217217060 /nfs/dbraw/zinc/21/70/60/217217060.db2.gz NOQGYEHQDWULFR-AQNXPRMDSA-N 1 3 345.531 3.308 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[N@@H+](Cc1ccccc1)C(C)C ZINC000079391075 217217065 /nfs/dbraw/zinc/21/70/65/217217065.db2.gz NOQGYEHQDWULFR-AQNXPRMDSA-N 1 3 345.531 3.308 40 0 EGABHO COc1cccc(NC(=O)C[C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000007985287 453144824 /nfs/dbraw/zinc/14/48/24/453144824.db2.gz PDRAWBDMUPELBL-AWEZNQCLSA-N 1 3 347.503 3.311 40 0 EGABHO COc1cccc(NC(=O)C[C@H](C)[NH2+]C2CC(C)(C)NC(C)(C)C2)c1 ZINC000007985287 453144829 /nfs/dbraw/zinc/14/48/29/453144829.db2.gz PDRAWBDMUPELBL-AWEZNQCLSA-N 1 3 347.503 3.311 40 0 EGABHO c1ccc(CN2CCC3(CC2)CC[NH+](Cc2ccccn2)CC3)nc1 ZINC000096047203 454270465 /nfs/dbraw/zinc/27/04/65/454270465.db2.gz XUZPXWOPVUFQPJ-UHFFFAOYSA-N 1 3 336.483 3.355 40 0 EGABHO c1ccc(CN2CCCC[C@H]2c2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC000072216309 454273761 /nfs/dbraw/zinc/27/37/61/454273761.db2.gz DIADBPAAACHMEZ-FQEVSTJZSA-N 1 3 336.483 3.218 40 0 EGABHO COc1ccc([C@@H](C)[NH2+]C2CCN(C)CC2)cc1CN1CCCC1 ZINC000096491550 454368539 /nfs/dbraw/zinc/36/85/39/454368539.db2.gz IACTURIARCDKFI-MRXNPFEDSA-N 1 3 331.504 3.036 40 0 EGABHO COC[C@H]1C[N@H+](Cc2ccco2)CC12CCN(Cc1ccoc1)CC2 ZINC000247849481 455650115 /nfs/dbraw/zinc/65/01/15/455650115.db2.gz OBDSXHLQKCXSKS-GOSISDBHSA-N 1 3 344.455 3.233 40 0 EGABHO COC[C@H]1C[N@@H+](Cc2ccco2)CC12CCN(Cc1ccoc1)CC2 ZINC000247849481 455650120 /nfs/dbraw/zinc/65/01/20/455650120.db2.gz OBDSXHLQKCXSKS-GOSISDBHSA-N 1 3 344.455 3.233 40 0 EGABHO CN(C[C@H](NC[C@@H]1CCC=CO1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000252509053 455817322 /nfs/dbraw/zinc/81/73/22/455817322.db2.gz YBSVSYSDPNQMMK-SFTDATJTSA-N 1 3 343.515 3.036 40 0 EGABHO C[C@](O)(CNC1CC[NH+](CCc2ccccc2)CC1)c1cccs1 ZINC000095422984 218364917 /nfs/dbraw/zinc/36/49/17/218364917.db2.gz QLWWFMZHSRRYKW-FQEVSTJZSA-N 1 3 344.524 3.252 40 0 EGABHO COC[C@@H]1CC2(C[N@@H+]1C(C)C)CCN(Cc1scnc1C)CC2 ZINC000096206568 454304650 /nfs/dbraw/zinc/30/46/50/454304650.db2.gz HMORYCYXHVTLFR-INIZCTEOSA-N 1 3 337.533 3.163 40 0 EGABHO COC[C@@H]1CC2(C[N@H+]1C(C)C)CCN(Cc1scnc1C)CC2 ZINC000096206568 454304651 /nfs/dbraw/zinc/30/46/51/454304651.db2.gz HMORYCYXHVTLFR-INIZCTEOSA-N 1 3 337.533 3.163 40 0 EGABHO O[C@@H](c1ccccc1)C1(C[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000090771280 454339707 /nfs/dbraw/zinc/33/97/07/454339707.db2.gz GSNFCDXAVOTKQI-FQEVSTJZSA-N 1 3 328.500 3.497 40 0 EGABHO C[NH+]1CCC(CN[C@@H](c2cccnc2)c2ccc(F)c(F)c2)CC1 ZINC000183557498 455305822 /nfs/dbraw/zinc/30/58/22/455305822.db2.gz LFWNBCIZNGHUQS-LJQANCHMSA-N 1 3 331.410 3.381 40 0 EGABHO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000195557274 455984850 /nfs/dbraw/zinc/98/48/50/455984850.db2.gz WSVZFJVBUTWITC-CEXWTWQISA-N 1 3 349.563 3.410 40 0 EGABHO C[C@H](CC(=O)N1CCCCCC1)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000195557274 455984853 /nfs/dbraw/zinc/98/48/53/455984853.db2.gz WSVZFJVBUTWITC-CEXWTWQISA-N 1 3 349.563 3.410 40 0 EGABHO C[C@H](CC(=O)N1CCCCCC1)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000195557274 455984858 /nfs/dbraw/zinc/98/48/58/455984858.db2.gz WSVZFJVBUTWITC-CEXWTWQISA-N 1 3 349.563 3.410 40 0 EGABHO Cc1ccccc1O[C@@H]1CCC[C@H](NC2CC[NH+](C(C)C)CC2)[C@H]1O ZINC000585288639 459833271 /nfs/dbraw/zinc/83/32/71/459833271.db2.gz GDABGOGZYKZRLT-CEWLAPEOSA-N 1 3 346.515 3.118 40 0 EGABHO CCN(CC)CCC[NH2+]CCCNc1cc(OC)cc2cccnc21 ZINC000001591917 452670411 /nfs/dbraw/zinc/67/04/11/452670411.db2.gz WJCXYGKZAGILOM-UHFFFAOYSA-N 1 3 344.503 3.367 40 0 EGABHO CC[NH+](CC)CCCNCCCNc1cc(OC)cc2cccnc21 ZINC000001591917 452670416 /nfs/dbraw/zinc/67/04/16/452670416.db2.gz WJCXYGKZAGILOM-UHFFFAOYSA-N 1 3 344.503 3.367 40 0 EGABHO CC(C)[C@H](N)C(=O)N1CCCC[C@@H]1C[N@H+](Cc1ccccc1)C(C)C ZINC000079415909 454411496 /nfs/dbraw/zinc/41/14/96/454411496.db2.gz NQYRQKSOZFSDLG-UXHICEINSA-N 1 3 345.531 3.261 40 0 EGABHO CC(C)[C@H](N)C(=O)N1CCCC[C@@H]1C[N@@H+](Cc1ccccc1)C(C)C ZINC000079415909 454411500 /nfs/dbraw/zinc/41/15/00/454411500.db2.gz NQYRQKSOZFSDLG-UXHICEINSA-N 1 3 345.531 3.261 40 0 EGABHO C[C@H](CCN1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1)c1ccccc1 ZINC000248235432 455700558 /nfs/dbraw/zinc/70/05/58/455700558.db2.gz MHPFOXIEDHMHNR-OXQOHEQNSA-N 1 3 336.483 3.453 40 0 EGABHO COc1cccc(NC(=O)C[C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000007985288 453143981 /nfs/dbraw/zinc/14/39/81/453143981.db2.gz PDRAWBDMUPELBL-CQSZACIVSA-N 1 3 347.503 3.311 40 0 EGABHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CC(C)(C)NC(C)(C)C2)c1 ZINC000007985288 453143991 /nfs/dbraw/zinc/14/39/91/453143991.db2.gz PDRAWBDMUPELBL-CQSZACIVSA-N 1 3 347.503 3.311 40 0 EGABHO CN(C[C@@H](NC[C@@H]1CCC=CO1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000252509050 455817258 /nfs/dbraw/zinc/81/72/58/455817258.db2.gz YBSVSYSDPNQMMK-LEWJYISDSA-N 1 3 343.515 3.036 40 0 EGABHO COc1ccc(CN2CCOC[C@@H](CC[NH+]3CCCC3)[C@@H]2C)cc1 ZINC000306139438 456568001 /nfs/dbraw/zinc/56/80/01/456568001.db2.gz SXFDQKFJTQUJEL-PKOBYXMFSA-N 1 3 332.488 3.018 40 0 EGABHO COc1cccc(CN2CCC3(CC[N@H+](C[C@H]4CCOC4)C3)CC2)c1 ZINC000096062889 454277954 /nfs/dbraw/zinc/27/79/54/454277954.db2.gz VBGXKGYQAMDWDB-LJQANCHMSA-N 1 3 344.499 3.020 40 0 EGABHO COc1cccc(CN2CCC3(CC[N@@H+](C[C@H]4CCOC4)C3)CC2)c1 ZINC000096062889 454277958 /nfs/dbraw/zinc/27/79/58/454277958.db2.gz VBGXKGYQAMDWDB-LJQANCHMSA-N 1 3 344.499 3.020 40 0 EGABHO C[N@H+](CCSc1ccccc1)C1CCN(C2CCOCC2)CC1 ZINC000095398355 218331101 /nfs/dbraw/zinc/33/11/01/218331101.db2.gz ATOILTXTIUMCNM-UHFFFAOYSA-N 1 3 334.529 3.354 40 0 EGABHO C[N@@H+](CCSc1ccccc1)C1CCN(C2CCOCC2)CC1 ZINC000095398355 218331103 /nfs/dbraw/zinc/33/11/03/218331103.db2.gz ATOILTXTIUMCNM-UHFFFAOYSA-N 1 3 334.529 3.354 40 0 EGABHO CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(CCCCc2ccccc2)c1 ZINC000017418881 453635086 /nfs/dbraw/zinc/63/50/86/453635086.db2.gz HIMYFSLMYAONKN-UHFFFAOYSA-N 1 3 349.482 3.438 40 0 EGABHO COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(Cc1ccc(OC)cc1)CC2 ZINC000096051758 454273085 /nfs/dbraw/zinc/27/30/85/454273085.db2.gz JPOACAZTTNCJSI-LJQANCHMSA-N 1 3 346.515 3.407 40 0 EGABHO COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(Cc1ccc(OC)cc1)CC2 ZINC000096051758 454273086 /nfs/dbraw/zinc/27/30/86/454273086.db2.gz JPOACAZTTNCJSI-LJQANCHMSA-N 1 3 346.515 3.407 40 0 EGABHO c1ccc(CN2CCCC[C@H]2c2cccnc2N2CC[NH2+]CC2)cc1 ZINC000072216369 454274193 /nfs/dbraw/zinc/27/41/93/454274193.db2.gz QZLMWDVOBILXFU-FQEVSTJZSA-N 1 3 336.483 3.218 40 0 EGABHO CCC[NH+]1CCC(NC(=O)c2ccc(CN(CC)C3CC3)cc2)CC1 ZINC000096403379 454322735 /nfs/dbraw/zinc/32/27/35/454322735.db2.gz UEWUREYFGAYKNZ-UHFFFAOYSA-N 1 3 343.515 3.275 40 0 EGABHO CC(C)N1CCOC[C@@]2(CC[C@H](C[NH2+]C[C@H](C)c3ccccc3)O2)C1 ZINC000248163860 455692498 /nfs/dbraw/zinc/69/24/98/455692498.db2.gz NBLPXLWSQCHNKV-CEWLAPEOSA-N 1 3 346.515 3.038 40 0 EGABHO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000195557277 455984874 /nfs/dbraw/zinc/98/48/74/455984874.db2.gz WSVZFJVBUTWITC-GUDVDZBRSA-N 1 3 349.563 3.410 40 0 EGABHO C[C@H](CC(=O)N1CCCCCC1)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000195557277 455984879 /nfs/dbraw/zinc/98/48/79/455984879.db2.gz WSVZFJVBUTWITC-GUDVDZBRSA-N 1 3 349.563 3.410 40 0 EGABHO C[C@H](CC(=O)N1CCCCCC1)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000195557277 455984886 /nfs/dbraw/zinc/98/48/86/455984886.db2.gz WSVZFJVBUTWITC-GUDVDZBRSA-N 1 3 349.563 3.410 40 0 EGABHO Cc1cc(F)ccc1CNCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000078553910 217075389 /nfs/dbraw/zinc/07/53/89/217075389.db2.gz NJVYZZDVOPUTIB-UHFFFAOYSA-N 1 3 342.458 3.381 40 0 EGABHO C[C@H](CCN1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1)c1ccccc1 ZINC000248241377 455700619 /nfs/dbraw/zinc/70/06/19/455700619.db2.gz OOFAILVYZMZMAE-AEFFLSMTSA-N 1 3 336.483 3.105 40 0 EGABHO CN(Cc1ccco1)[C@@H]1CCC12CC[NH+](CC1CCOCC1)CC2 ZINC000096051598 454272872 /nfs/dbraw/zinc/27/28/72/454272872.db2.gz ZVZIVEMSLMFUAB-LJQANCHMSA-N 1 3 332.488 3.383 40 0 EGABHO CC(C)c1nc2c(s1)C[NH2+]CC21CCN(Cc2cccnc2)CC1 ZINC000306124362 547459851 /nfs/dbraw/zinc/45/98/51/547459851.db2.gz BNMXUBRKKICRIR-UHFFFAOYSA-N 1 3 342.512 3.299 40 0 EGABHO CC(C)[NH+]1CCC2(CC1)C[C@@H](N[C@H]1CCOC1)c1ccccc1O2 ZINC000096242716 454311310 /nfs/dbraw/zinc/31/13/10/454311310.db2.gz WASXFJZLBZSEFX-FUHWJXTLSA-N 1 3 330.472 3.132 40 0 EGABHO C[C@@H]1C[C@@H](N(C)Cc2cc[nH]c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000585141363 459829951 /nfs/dbraw/zinc/82/99/51/459829951.db2.gz UNSFVKAQYZODTA-APWZRJJASA-N 1 3 325.456 3.272 40 0 EGABHO C[C@@H]1C[C@@H](N(C)Cc2cc[nH]c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000585141363 459829954 /nfs/dbraw/zinc/82/99/54/459829954.db2.gz UNSFVKAQYZODTA-APWZRJJASA-N 1 3 325.456 3.272 40 0 EGABHO OC1CCN(Cc2ccc(C[NH2+]C/C=C/c3ccccc3)cc2)CC1 ZINC000078553916 217075092 /nfs/dbraw/zinc/07/50/92/217075092.db2.gz XUIMJHXBHRGSCO-QPJJXVBHSA-N 1 3 336.479 3.446 40 0 EGABHO c1csc([C@@H](CNC2CC[NH+](CC3CC3)CC2)N2CCCC2)c1 ZINC000095419057 218358788 /nfs/dbraw/zinc/35/87/88/218358788.db2.gz BJHNDJNCQYNYED-GOSISDBHSA-N 1 3 333.545 3.349 40 0 EGABHO CC(C)Oc1ccc(CNCC[C@@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004859444 210303864 /nfs/dbraw/zinc/30/38/64/210303864.db2.gz VTZLVAXMWLFFNO-MBOZVWFJSA-N 1 3 334.504 3.045 40 0 EGABHO CC(C)Oc1ccc(CNCC[C@@]2(O)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004859444 210303867 /nfs/dbraw/zinc/30/38/67/210303867.db2.gz VTZLVAXMWLFFNO-MBOZVWFJSA-N 1 3 334.504 3.045 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[N@H+](Cc1ccccc1)C1CC1 ZINC000079415949 454411327 /nfs/dbraw/zinc/41/13/27/454411327.db2.gz SHIQZZNATFIIEU-AABGKKOBSA-N 1 3 343.515 3.062 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](Cc1ccccc1)C1CC1 ZINC000079415949 454411330 /nfs/dbraw/zinc/41/13/30/454411330.db2.gz SHIQZZNATFIIEU-AABGKKOBSA-N 1 3 343.515 3.062 40 0 EGABHO CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(CSc2ccccc2)c1 ZINC000001587054 452670493 /nfs/dbraw/zinc/67/04/93/452670493.db2.gz HDYMWGSIFNKZLQ-UHFFFAOYSA-N 1 3 339.468 3.164 40 0 in-vitro EGABHO O[C@H](c1ccccc1)C1(C[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000090771281 454338947 /nfs/dbraw/zinc/33/89/47/454338947.db2.gz GSNFCDXAVOTKQI-HXUWFJFHSA-N 1 3 328.500 3.497 40 0 EGABHO COc1ccccc1[C@@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192731607 455681307 /nfs/dbraw/zinc/68/13/07/455681307.db2.gz XTRNFXAXXTWGNE-FQEVSTJZSA-N 1 3 345.531 3.248 40 0 EGABHO COc1ccccc1[C@@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192731607 455681313 /nfs/dbraw/zinc/68/13/13/455681313.db2.gz XTRNFXAXXTWGNE-FQEVSTJZSA-N 1 3 345.531 3.248 40 0 EGABHO C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(CC3CCCC3)C2)OC1 ZINC000585104940 459825064 /nfs/dbraw/zinc/82/50/64/459825064.db2.gz MQGNAMOURQFESF-FQEVSTJZSA-N 1 3 343.515 3.185 40 0 EGABHO C[N@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(CC3CCCC3)C2)OC1 ZINC000585104940 459825070 /nfs/dbraw/zinc/82/50/70/459825070.db2.gz MQGNAMOURQFESF-FQEVSTJZSA-N 1 3 343.515 3.185 40 0 EGABHO OC1CC[NH+](Cc2ccc(CNCc3ccc(F)cc3)cc2)CC1 ZINC000078553950 217075514 /nfs/dbraw/zinc/07/55/14/217075514.db2.gz IIAQKPNTTFAPCT-UHFFFAOYSA-N 1 3 328.431 3.072 40 0 EGABHO CC(C)Oc1ccc(CNCC[C@@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004859446 210304045 /nfs/dbraw/zinc/30/40/45/210304045.db2.gz VTZLVAXMWLFFNO-FUHIMQAGSA-N 1 3 334.504 3.045 40 0 EGABHO CC(C)Oc1ccc(CNCC[C@@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004859446 210304050 /nfs/dbraw/zinc/30/40/50/210304050.db2.gz VTZLVAXMWLFFNO-FUHIMQAGSA-N 1 3 334.504 3.045 40 0 EGABHO Cc1ccc2c(c1)[C@H](NC1CC[NH+](C[C@H]3CCOC3)CC1)[C@H](C)C2 ZINC000252586105 281116797 /nfs/dbraw/zinc/11/67/97/281116797.db2.gz NMWRACKFUNUYRX-CBGDNZLLSA-N 1 3 328.500 3.319 40 0 EGABHO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000253370823 455836326 /nfs/dbraw/zinc/83/63/26/455836326.db2.gz WSVZFJVBUTWITC-QYZOEREBSA-N 1 3 349.563 3.410 40 0 EGABHO C[C@H](CC(=O)N1CCCCCC1)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000253370823 455836328 /nfs/dbraw/zinc/83/63/28/455836328.db2.gz WSVZFJVBUTWITC-QYZOEREBSA-N 1 3 349.563 3.410 40 0 EGABHO C[C@H](CC(=O)N1CCCCCC1)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000253370823 455836331 /nfs/dbraw/zinc/83/63/31/455836331.db2.gz WSVZFJVBUTWITC-QYZOEREBSA-N 1 3 349.563 3.410 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[N@H+](Cc1ccccc1)C(C)C ZINC000079391072 217217600 /nfs/dbraw/zinc/21/76/00/217217600.db2.gz NOQGYEHQDWULFR-AABGKKOBSA-N 1 3 345.531 3.308 40 0 EGABHO CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](Cc1ccccc1)C(C)C ZINC000079391072 217217603 /nfs/dbraw/zinc/21/76/03/217217603.db2.gz NOQGYEHQDWULFR-AABGKKOBSA-N 1 3 345.531 3.308 40 0 EGABHO CC(C)[NH+]1CCC(CN(C)Cc2cnc(N3CCCCC3)nc2)CC1 ZINC000057811518 454148277 /nfs/dbraw/zinc/14/82/77/454148277.db2.gz OWPBNAZMZPBPGC-UHFFFAOYSA-N 1 3 345.535 3.019 40 0 EGABHO COc1cccc(CN2CCC3(CC[N@H+](C[C@@H]4CCOC4)C3)CC2)c1 ZINC000096062888 454278157 /nfs/dbraw/zinc/27/81/57/454278157.db2.gz VBGXKGYQAMDWDB-IBGZPJMESA-N 1 3 344.499 3.020 40 0 EGABHO COc1cccc(CN2CCC3(CC[N@@H+](C[C@@H]4CCOC4)C3)CC2)c1 ZINC000096062888 454278160 /nfs/dbraw/zinc/27/81/60/454278160.db2.gz VBGXKGYQAMDWDB-IBGZPJMESA-N 1 3 344.499 3.020 40 0 EGABHO C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(CN(CC3CCCC3)C2)OC1 ZINC000585104942 459825199 /nfs/dbraw/zinc/82/51/99/459825199.db2.gz MQGNAMOURQFESF-HXUWFJFHSA-N 1 3 343.515 3.185 40 0 EGABHO C[N@H+](Cc1cccnc1)C[C@H]1CCC2(CN(CC3CCCC3)C2)OC1 ZINC000585104942 459825201 /nfs/dbraw/zinc/82/52/01/459825201.db2.gz MQGNAMOURQFESF-HXUWFJFHSA-N 1 3 343.515 3.185 40 0 EGABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000079404732 217220418 /nfs/dbraw/zinc/22/04/18/217220418.db2.gz YTJQUBBWFAJGCS-UXHICEINSA-N 1 3 345.531 3.119 40 0 EGABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000079404732 217220420 /nfs/dbraw/zinc/22/04/20/217220420.db2.gz YTJQUBBWFAJGCS-UXHICEINSA-N 1 3 345.531 3.119 40 0 EGABHO CC(C)[C@H](N)C(=O)NC1CCC([N@H+](Cc2ccccc2)C(C)C)CC1 ZINC000079391068 217217513 /nfs/dbraw/zinc/21/75/13/217217513.db2.gz KDBUBLSKJNCTJU-MHJFOBGBSA-N 1 3 345.531 3.308 40 0 EGABHO CC(C)[C@H](N)C(=O)NC1CCC([N@@H+](Cc2ccccc2)C(C)C)CC1 ZINC000079391068 217217515 /nfs/dbraw/zinc/21/75/15/217217515.db2.gz KDBUBLSKJNCTJU-MHJFOBGBSA-N 1 3 345.531 3.308 40 0 EGABHO Cc1ncsc1CN1CCC2(C[N@H+](C)C[C@H]2COCC2CC2)CC1 ZINC000585102655 459824227 /nfs/dbraw/zinc/82/42/27/459824227.db2.gz ABSUOFCCRYORMA-KRWDZBQOSA-N 1 3 349.544 3.022 40 0 EGABHO Cc1ncsc1CN1CCC2(C[N@@H+](C)C[C@H]2COCC2CC2)CC1 ZINC000585102655 459824230 /nfs/dbraw/zinc/82/42/30/459824230.db2.gz ABSUOFCCRYORMA-KRWDZBQOSA-N 1 3 349.544 3.022 40 0 EGABHO C[NH+]1CCC(CN[C@H](c2cccnc2)c2ccc(F)c(F)c2)CC1 ZINC000183557479 455306023 /nfs/dbraw/zinc/30/60/23/455306023.db2.gz LFWNBCIZNGHUQS-IBGZPJMESA-N 1 3 331.410 3.381 40 0 EGABHO C[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(Cc1ccsc1)CC2 ZINC000585104251 459824345 /nfs/dbraw/zinc/82/43/45/459824345.db2.gz XHXKJSCUBTUAHP-SFHVURJKSA-N 1 3 334.529 3.319 40 0 EGABHO C[N@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(Cc1ccsc1)CC2 ZINC000585104251 459824348 /nfs/dbraw/zinc/82/43/48/459824348.db2.gz XHXKJSCUBTUAHP-SFHVURJKSA-N 1 3 334.529 3.319 40 0 EGABHO C[C@H]1C[C@@H](N(C)Cc2cc[nH]c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000585141365 459830054 /nfs/dbraw/zinc/83/00/54/459830054.db2.gz UNSFVKAQYZODTA-LPHOPBHVSA-N 1 3 325.456 3.272 40 0 EGABHO C[C@H]1C[C@@H](N(C)Cc2cc[nH]c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000585141365 459830057 /nfs/dbraw/zinc/83/00/57/459830057.db2.gz UNSFVKAQYZODTA-LPHOPBHVSA-N 1 3 325.456 3.272 40 0 EGABHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[N@H+](C)Cc1cnc2ncccn12 ZINC000093318757 218214394 /nfs/dbraw/zinc/21/43/94/218214394.db2.gz KLRXURUBQSOWPT-PXNSSMCTSA-N 1 3 349.482 3.072 40 0 EGABHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[N@@H+](C)Cc1cnc2ncccn12 ZINC000093318757 218214396 /nfs/dbraw/zinc/21/43/96/218214396.db2.gz KLRXURUBQSOWPT-PXNSSMCTSA-N 1 3 349.482 3.072 40 0 EGABHO OCCN1Cc2ccccc2C2(CC[NH+](Cc3cccs3)CC2)C1 ZINC000096079569 275047197 /nfs/dbraw/zinc/04/71/97/275047197.db2.gz GEZXTESZIDQOFE-UHFFFAOYSA-N 1 3 342.508 3.090 40 0 EGABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000079404737 280271856 /nfs/dbraw/zinc/27/18/56/280271856.db2.gz YTJQUBBWFAJGCS-PMACEKPBSA-N 1 3 345.531 3.119 40 0 EGABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000079404737 280271858 /nfs/dbraw/zinc/27/18/58/280271858.db2.gz YTJQUBBWFAJGCS-PMACEKPBSA-N 1 3 345.531 3.119 40 0 EGABHO CSCC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(CN(C)C)cc1 ZINC000019583573 212047578 /nfs/dbraw/zinc/04/75/78/212047578.db2.gz SORKLGIZSMTPTC-PMACEKPBSA-N 1 3 347.572 3.150 40 0 EGABHO CSCC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(CN(C)C)cc1 ZINC000019583573 212047580 /nfs/dbraw/zinc/04/75/80/212047580.db2.gz SORKLGIZSMTPTC-PMACEKPBSA-N 1 3 347.572 3.150 40 0 EGABHO Cc1ncsc1CN1CCC2(C[C@@H](COCC3CC3)[N@H+](C)C2)CC1 ZINC000096208939 454305636 /nfs/dbraw/zinc/30/56/36/454305636.db2.gz WFRCSQMGZUGUSP-KRWDZBQOSA-N 1 3 349.544 3.164 40 0 EGABHO Cc1ncsc1CN1CCC2(C[C@@H](COCC3CC3)[N@@H+](C)C2)CC1 ZINC000096208939 454305644 /nfs/dbraw/zinc/30/56/44/454305644.db2.gz WFRCSQMGZUGUSP-KRWDZBQOSA-N 1 3 349.544 3.164 40 0 EGABHO COc1ccccc1[C@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192731595 455681285 /nfs/dbraw/zinc/68/12/85/455681285.db2.gz XTRNFXAXXTWGNE-HXUWFJFHSA-N 1 3 345.531 3.248 40 0 EGABHO COc1ccccc1[C@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192731595 455681291 /nfs/dbraw/zinc/68/12/91/455681291.db2.gz XTRNFXAXXTWGNE-HXUWFJFHSA-N 1 3 345.531 3.248 40 0 EGABHO Cc1ccc2c(c1)[C@H](NC1CC[NH+](C[C@@H]3CCOC3)CC1)[C@H](C)C2 ZINC000230306299 456136441 /nfs/dbraw/zinc/13/64/41/456136441.db2.gz NMWRACKFUNUYRX-LLGFUMIMSA-N 1 3 328.500 3.319 40 0 EGABHO Cc1c2ccccc2oc1CN1CCC([N@@H+](C)CCN(C)C)CC1 ZINC000019566351 212044320 /nfs/dbraw/zinc/04/43/20/212044320.db2.gz ARHPGIJIUHQXQD-UHFFFAOYSA-N 1 3 329.488 3.199 40 0 EGABHO Cc1c2ccccc2oc1CN1CCC([N@H+](C)CCN(C)C)CC1 ZINC000019566351 212044322 /nfs/dbraw/zinc/04/43/22/212044322.db2.gz ARHPGIJIUHQXQD-UHFFFAOYSA-N 1 3 329.488 3.199 40 0 EGABHO C[C@@H](CCN1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1)c1ccccc1 ZINC000019455722 212029902 /nfs/dbraw/zinc/02/99/02/212029902.db2.gz MHPFOXIEDHMHNR-JXFKEZNVSA-N 1 3 336.483 3.453 40 0 EGABHO C(CCCCCSC1=[NH+]CCN1)CCCCSC1=NCCN1 ZINC000004748147 210269294 /nfs/dbraw/zinc/26/92/94/210269294.db2.gz WCSWXIHLVNQQFP-UHFFFAOYSA-N 1 3 342.578 3.492 40 0 EGABHO CC(C)Oc1ccc(CNCC[C@@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013765788 453488525 /nfs/dbraw/zinc/48/85/25/453488525.db2.gz VTZLVAXMWLFFNO-ABSDTBQOSA-N 1 3 334.504 3.045 40 0 EGABHO CC(C)Oc1ccc(CNCC[C@@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013765788 453488533 /nfs/dbraw/zinc/48/85/33/453488533.db2.gz VTZLVAXMWLFFNO-ABSDTBQOSA-N 1 3 334.504 3.045 40 0 EGABHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096159272 454295998 /nfs/dbraw/zinc/29/59/98/454295998.db2.gz SHFKKMJHQVLQQP-UHFFFAOYSA-N 1 3 336.483 3.353 40 0 EGABHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096159272 454296000 /nfs/dbraw/zinc/29/60/00/454296000.db2.gz SHFKKMJHQVLQQP-UHFFFAOYSA-N 1 3 336.483 3.353 40 0 EGABHO COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(Cc1scnc1C)CC2 ZINC000096206567 454304593 /nfs/dbraw/zinc/30/45/93/454304593.db2.gz HMORYCYXHVTLFR-MRXNPFEDSA-N 1 3 337.533 3.163 40 0 EGABHO COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(Cc1scnc1C)CC2 ZINC000096206567 454304596 /nfs/dbraw/zinc/30/45/96/454304596.db2.gz HMORYCYXHVTLFR-MRXNPFEDSA-N 1 3 337.533 3.163 40 0 EGABHO CC1(C)Cc2occc2[C@@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)C1 ZINC000096477957 454363615 /nfs/dbraw/zinc/36/36/15/454363615.db2.gz FBLWURCRERIRCJ-QAPCUYQASA-N 1 3 332.488 3.384 40 0 EGABHO