smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC[C@@H](C)[NH2+]CC[NH+](C(C)C)C(C)C ZINC000020519907 171233618 /nfs/dbraw/zinc/23/36/18/171233618.db2.gz XMXQGAXCKVMMLG-MRXNPFEDSA-N 2 1 256.478 4.054 10 0 CIAEMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CCCCC1 ZINC000021791700 171324195 /nfs/dbraw/zinc/32/41/95/171324195.db2.gz HEDPIIFXXGJTKE-DLBZAZTESA-N 2 1 294.527 4.445 10 0 CIAEMP C[C@@H](C[NH2+][C@@H](C)c1ccccc1Cl)C[NH+]1CCCCC1 ZINC000038041611 174042687 /nfs/dbraw/zinc/04/26/87/174042687.db2.gz LLOWAKDAVBGHFP-GJZGRUSLSA-N 2 1 294.870 4.113 10 0 CIAEMP CCC1CCC([N@@H+](C)[C@@H](C)CCC[NH2+]C(C)C)CC1 ZINC000052345609 519853244 /nfs/dbraw/zinc/85/32/44/519853244.db2.gz SJAMULGTMZBOJL-GTPINHCMSA-N 2 1 268.489 4.054 10 0 CIAEMP CCC[NH2+]CCCCC[N@@H+](C)C1CCC(CC)CC1 ZINC000052345619 519912012 /nfs/dbraw/zinc/91/20/12/519912012.db2.gz APCQLLAKNMBNII-UHFFFAOYSA-N 2 1 268.489 4.057 10 0 CIAEMP CCC1CCC([N@@H+](C)[C@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052345653 519853692 /nfs/dbraw/zinc/85/36/92/519853692.db2.gz YCGJQCFWGQYQHN-QQFBHYJXSA-N 2 1 268.489 4.054 10 0 CIAEMP CCc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000157317128 524047457 /nfs/dbraw/zinc/04/74/57/524047457.db2.gz JQHCZELRBSJSLE-AGRHKRQWSA-N 2 1 280.415 4.044 10 0 CIAEMP CCCCCC[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020520009 171234060 /nfs/dbraw/zinc/23/40/60/171234060.db2.gz PACMNHCUTMLFCZ-SJORKVTESA-N 2 1 268.489 4.199 10 0 CIAEMP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[NH+](C(C)C)C(C)C ZINC000020548934 171245720 /nfs/dbraw/zinc/24/57/20/171245720.db2.gz XJNWQWRGJPJMSQ-SQNIBIBYSA-N 2 1 282.516 4.156 10 0 CIAEMP C[NH+](C)C1(C[NH2+]C2CCC(C(C)(C)C)CC2)CCCCC1 ZINC000021029977 171291456 /nfs/dbraw/zinc/29/14/56/171291456.db2.gz NWZJMYLNNNYZDU-UHFFFAOYSA-N 2 1 294.527 4.445 10 0 CIAEMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000379622545 330143442 /nfs/dbraw/zinc/14/34/42/330143442.db2.gz GSLBUXZUJZXLAY-UHOSZYNNSA-N 2 1 288.479 4.064 10 0 CIAEMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000379622545 330143444 /nfs/dbraw/zinc/14/34/44/330143444.db2.gz GSLBUXZUJZXLAY-UHOSZYNNSA-N 2 1 288.479 4.064 10 0 CIAEMP CCCC[N@@H+]([C@@H](C)CC)[C@@H](C)CCC[NH2+]CC(C)C ZINC000052372763 520552902 /nfs/dbraw/zinc/55/29/02/520552902.db2.gz ZJZHKRIOEFEUTO-IRXDYDNUSA-N 2 1 270.505 4.301 10 0 CIAEMP CCC(CC)C[N@@H+](CC)[C@H](C)CCC[NH2+]CC(C)C ZINC000052540713 521524139 /nfs/dbraw/zinc/52/41/39/521524139.db2.gz WNINUNMJPPXESU-MRXNPFEDSA-N 2 1 270.505 4.159 10 0 CIAEMP C[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC(C)(C)C1 ZINC000021816716 171332276 /nfs/dbraw/zinc/33/22/76/171332276.db2.gz AWENVWRRPOYXEV-ULQDDVLXSA-N 2 1 280.500 4.055 10 0 CIAEMP CCC(CC)C[N@@H+](CC)[C@@H](C)CCC[NH2+]CC(C)C ZINC000052540712 521522191 /nfs/dbraw/zinc/52/21/91/521522191.db2.gz WNINUNMJPPXESU-INIZCTEOSA-N 2 1 270.505 4.159 10 0 CIAEMP C[C@H](C[NH2+][C@@H](C)c1ccccc1Cl)C[NH+]1CCCCC1 ZINC000038041612 174043709 /nfs/dbraw/zinc/04/37/09/174043709.db2.gz LLOWAKDAVBGHFP-CABCVRRESA-N 2 1 294.870 4.113 10 0 CIAEMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325703 333257039 /nfs/dbraw/zinc/25/70/39/333257039.db2.gz VFIUJUVQBOZDGZ-HOTGVXAUSA-N 2 1 288.479 4.106 10 0 CIAEMP CCCCCC[C@H](C)[NH2+]CC[NH+](C(C)C)C(C)C ZINC000020519908 171233514 /nfs/dbraw/zinc/23/35/14/171233514.db2.gz XMXQGAXCKVMMLG-INIZCTEOSA-N 2 1 256.478 4.054 10 0 CIAEMP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000020562463 171252306 /nfs/dbraw/zinc/25/23/06/171252306.db2.gz IMFHQJASIHQSKL-SQNIBIBYSA-N 2 1 294.527 4.301 10 0 CIAEMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CCCCC1 ZINC000021791707 171324389 /nfs/dbraw/zinc/32/43/89/171324389.db2.gz HEDPIIFXXGJTKE-IAGOWNOFSA-N 2 1 294.527 4.445 10 0 CIAEMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(C)cc1 ZINC000021800662 171325959 /nfs/dbraw/zinc/32/59/59/171325959.db2.gz GFFOFUVSWXRRKH-HKUYNNGSSA-N 2 1 288.479 4.300 10 0 CIAEMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC(C)(C)C1 ZINC000021816714 171332644 /nfs/dbraw/zinc/33/26/44/171332644.db2.gz AWENVWRRPOYXEV-IKGGRYGDSA-N 2 1 280.500 4.055 10 0 CIAEMP CCc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000227536889 333285313 /nfs/dbraw/zinc/28/53/13/333285313.db2.gz JQHCZELRBSJSLE-BKTGTZMESA-N 2 1 280.415 4.044 10 0 CIAEMP CC(C)[N@@H+](CCCC[NH2+]C(C)(C)C)Cc1cccs1 ZINC000052544913 519642716 /nfs/dbraw/zinc/64/27/16/519642716.db2.gz OHNGYJSNNGEESV-UHFFFAOYSA-N 2 1 282.497 4.127 10 0 CIAEMP CCC1CCC([N@@H+](C)[C@H](C)CCC[NH2+]C(C)C)CC1 ZINC000052345610 519853967 /nfs/dbraw/zinc/85/39/67/519853967.db2.gz SJAMULGTMZBOJL-KLAILNCOSA-N 2 1 268.489 4.054 10 0 CIAEMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(C)c1 ZINC000157396632 525941049 /nfs/dbraw/zinc/94/10/49/525941049.db2.gz QQUHRBFNYRQVCL-ZOCIIQOWSA-N 2 1 280.415 4.099 10 0 CIAEMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000021501201 171305293 /nfs/dbraw/zinc/30/52/93/171305293.db2.gz BMUOZCOQKGFUST-ROUUACIJSA-N 2 1 288.479 4.219 10 0 CIAEMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325708 333257021 /nfs/dbraw/zinc/25/70/21/333257021.db2.gz VFIUJUVQBOZDGZ-CVEARBPZSA-N 2 1 288.479 4.106 10 0 CIAEMP CCC1CCC([N@@H+](C)[C@@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052345652 519853356 /nfs/dbraw/zinc/85/33/56/519853356.db2.gz YCGJQCFWGQYQHN-FHERZECASA-N 2 1 268.489 4.054 10 0 CIAEMP C[C@H](CCC[NH2+]C(C)(C)C)[N@@H+](C)C1CCCCCC1 ZINC000052482098 524140265 /nfs/dbraw/zinc/14/02/65/524140265.db2.gz YAZCAGOTWHGLKT-OAHLLOKOSA-N 2 1 268.489 4.198 10 0 CIAEMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000157480188 525588123 /nfs/dbraw/zinc/58/81/23/525588123.db2.gz OODRMDVRLLLMKO-YMRXKLBXSA-N 2 1 286.806 4.135 10 0 CIAEMP CCCC[NH+](CCCC)CC[NH2+][C@@H](C)CCC(C)C ZINC000103999600 185879681 /nfs/dbraw/zinc/87/96/81/185879681.db2.gz FUUGDZNLDOSQFR-KRWDZBQOSA-N 2 1 270.505 4.303 10 0 CIAEMP CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000020562472 171252196 /nfs/dbraw/zinc/25/21/96/171252196.db2.gz IMFHQJASIHQSKL-KSZLIROESA-N 2 1 294.527 4.301 10 0 CIAEMP CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000020562466 171252456 /nfs/dbraw/zinc/25/24/56/171252456.db2.gz IMFHQJASIHQSKL-BZSNNMDCSA-N 2 1 294.527 4.301 10 0 CIAEMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000379622544 330143236 /nfs/dbraw/zinc/14/32/36/330143236.db2.gz GSLBUXZUJZXLAY-QRQLOZEOSA-N 2 1 288.479 4.064 10 0 CIAEMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000379622544 330143237 /nfs/dbraw/zinc/14/32/37/330143237.db2.gz GSLBUXZUJZXLAY-QRQLOZEOSA-N 2 1 288.479 4.064 10 0 CIAEMP CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC[NH+](C(C)C)C(C)C ZINC000020548935 171245874 /nfs/dbraw/zinc/24/58/74/171245874.db2.gz XJNWQWRGJPJMSQ-BZSNNMDCSA-N 2 1 282.516 4.156 10 0 CIAEMP CC(C)[NH+](CC[NH2+]C1CCC(C(C)(C)C)CC1)C(C)C ZINC000021029903 171291447 /nfs/dbraw/zinc/29/14/47/171291447.db2.gz RBUNXTFCXJVRSV-UHFFFAOYSA-N 2 1 282.516 4.300 10 0 CIAEMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccccc1Cl ZINC000038041613 174043733 /nfs/dbraw/zinc/04/37/33/174043733.db2.gz LLOWAKDAVBGHFP-LSDHHAIUSA-N 2 1 294.870 4.113 10 0 CIAEMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000226332269 333257310 /nfs/dbraw/zinc/25/73/10/333257310.db2.gz OHYFDRQNGHQOLK-YQQAZPJKSA-N 2 1 288.479 4.104 10 0 CIAEMP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000227536878 333285322 /nfs/dbraw/zinc/28/53/22/333285322.db2.gz JQHCZELRBSJSLE-MJXNMMHHSA-N 2 1 280.415 4.044 10 0 CIAEMP CCC[NH2+][C@H](CC[N@@H+](C)CCC)c1ccc(Cl)cc1 ZINC000053978527 520068792 /nfs/dbraw/zinc/06/87/92/520068792.db2.gz GXUAUDYPLYWVJY-MRXNPFEDSA-N 2 1 282.859 4.113 10 0 CIAEMP CCCCC[N@@H+](C(C)C)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000052544884 520149814 /nfs/dbraw/zinc/14/98/14/520149814.db2.gz STMJYFKTWGHFKU-HNNXBMFYSA-N 2 1 256.478 4.054 10 0 CIAEMP CCCC[N@@H+]([C@H](C)CC)[C@@H](C)CCC[NH2+]CC(C)C ZINC000052372764 520552965 /nfs/dbraw/zinc/55/29/65/520552965.db2.gz ZJZHKRIOEFEUTO-SJORKVTESA-N 2 1 270.505 4.301 10 0 CIAEMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(C)c1 ZINC000157396891 525948648 /nfs/dbraw/zinc/94/86/48/525948648.db2.gz QQUHRBFNYRQVCL-JVPBZIDWSA-N 2 1 280.415 4.099 10 0 CIAEMP Cc1ccc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000020546824 171244500 /nfs/dbraw/zinc/24/45/00/171244500.db2.gz CLJKOKCRPLUOQO-ROUUACIJSA-N 2 1 288.479 4.219 10 0 CIAEMP CC(C)CC(CC(C)C)[NH2+]CC[NH+](C(C)C)C(C)C ZINC000021513305 171311366 /nfs/dbraw/zinc/31/13/66/171311366.db2.gz VBYKOYGQLPZWBZ-UHFFFAOYSA-N 2 1 270.505 4.156 10 0 CIAEMP CCCC1CCC([NH2+]CC2([NH+](C)C)CCCCC2)CC1 ZINC000021806083 171327484 /nfs/dbraw/zinc/32/74/84/171327484.db2.gz KASFGNVLFCFXLW-UHFFFAOYSA-N 2 1 280.500 4.199 10 0 CIAEMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCCC1 ZINC000034996659 171925368 /nfs/dbraw/zinc/92/53/68/171925368.db2.gz CNODQUVEPWMVRE-KSZLIROESA-N 2 1 292.511 4.199 10 0 CIAEMP CCCCC[N@@H+](C(C)C)[C@H](C)CC[NH2+]C(C)(C)C ZINC000052544885 520150090 /nfs/dbraw/zinc/15/00/90/520150090.db2.gz STMJYFKTWGHFKU-OAHLLOKOSA-N 2 1 256.478 4.054 10 0 CIAEMP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC(C)(C)C1 ZINC000021816712 171332529 /nfs/dbraw/zinc/33/25/29/171332529.db2.gz AWENVWRRPOYXEV-YESZJQIVSA-N 2 1 280.500 4.055 10 0 CIAEMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(Cl)c1 ZINC000021817127 171332853 /nfs/dbraw/zinc/33/28/53/171332853.db2.gz GNSSJXRBUAWIPE-GJZGRUSLSA-N 2 1 294.870 4.255 10 0 CIAEMP C[C@H](C[NH2+][C@H](C)c1ccccc1Cl)C[NH+]1CCCCC1 ZINC000038041614 174042750 /nfs/dbraw/zinc/04/27/50/174042750.db2.gz LLOWAKDAVBGHFP-HUUCEWRRSA-N 2 1 294.870 4.113 10 0 CIAEMP CCCCC[N@@H+](C(C)C)[C@@H](C)CCC[NH2+]CCC ZINC000052544830 520149793 /nfs/dbraw/zinc/14/97/93/520149793.db2.gz HDCPNGHDMIKKSM-INIZCTEOSA-N 2 1 256.478 4.055 10 0 CIAEMP CCCC[N@@H+]([C@@H](C)CC)[C@@H](C)CCC[NH2+]CCC ZINC000052372755 520552021 /nfs/dbraw/zinc/55/20/21/520552021.db2.gz SPYBXSVLMYOFJE-HOTGVXAUSA-N 2 1 256.478 4.055 10 0 CIAEMP C[C@@H](CCC[NH2+]C(C)(C)C)[N@@H+](C)C1CCCCCC1 ZINC000052482097 524456903 /nfs/dbraw/zinc/45/69/03/524456903.db2.gz YAZCAGOTWHGLKT-HNNXBMFYSA-N 2 1 268.489 4.198 10 0 CIAEMP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(C)c1 ZINC000227538801 525947483 /nfs/dbraw/zinc/94/74/83/525947483.db2.gz QQUHRBFNYRQVCL-KYNGSXCRSA-N 2 1 280.415 4.099 10 0 CIAEMP C[C@H](c1cccs1)[N@@H+](C)CC(C)(C)C[NH2+]C(C)(C)C ZINC000051251208 526152391 /nfs/dbraw/zinc/15/23/91/526152391.db2.gz KDRMEMPFSKOGHB-CYBMUJFWSA-N 2 1 282.497 4.155 10 0 CIAEMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[NH+](C(C)C)C(C)C ZINC000020548936 171245865 /nfs/dbraw/zinc/24/58/65/171245865.db2.gz XJNWQWRGJPJMSQ-KURKYZTESA-N 2 1 282.516 4.156 10 0 CIAEMP CCCCC[N@@H+](C(C)C)[C@@H](C)CCC[NH2+]CC(C)C ZINC000052544838 520148832 /nfs/dbraw/zinc/14/88/32/520148832.db2.gz XYVKZRINTHDXKX-KRWDZBQOSA-N 2 1 270.505 4.301 10 0 CIAEMP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CCCCC1 ZINC000021791704 171324356 /nfs/dbraw/zinc/32/43/56/171324356.db2.gz HEDPIIFXXGJTKE-IRXDYDNUSA-N 2 1 294.527 4.445 10 0 CIAEMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000226332275 333257210 /nfs/dbraw/zinc/25/72/10/333257210.db2.gz OHYFDRQNGHQOLK-ZOBUZTSGSA-N 2 1 288.479 4.104 10 0 CIAEMP C[N@@H+](CC1CCC(C(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000135424264 334129437 /nfs/dbraw/zinc/12/94/37/334129437.db2.gz OIOQKPHEKAYTKY-DDEIOVDASA-N 2 1 292.511 4.054 10 0 CIAEMP CCCCCC[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020520010 171234118 /nfs/dbraw/zinc/23/41/18/171234118.db2.gz PACMNHCUTMLFCZ-IRXDYDNUSA-N 2 1 268.489 4.199 10 0 CIAEMP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC(C)(C)C1 ZINC000021816710 171332287 /nfs/dbraw/zinc/33/22/87/171332287.db2.gz AWENVWRRPOYXEV-IXDOHACOSA-N 2 1 280.500 4.055 10 0 CIAEMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1F ZINC000094837534 265263796 /nfs/dbraw/zinc/26/37/96/265263796.db2.gz NBIAXQURBUQYGO-AWEZNQCLSA-N 2 1 292.442 4.048 10 0 CIAEMP CCCCC[N@@H+](C(C)C)[C@H](C)CCC[NH2+]CCC ZINC000052544831 520149784 /nfs/dbraw/zinc/14/97/84/520149784.db2.gz HDCPNGHDMIKKSM-MRXNPFEDSA-N 2 1 256.478 4.055 10 0 CIAEMP CCCCC[N@@H+](C(C)C)[C@H](C)CCC[NH2+]CC(C)C ZINC000052544839 520148623 /nfs/dbraw/zinc/14/86/23/520148623.db2.gz XYVKZRINTHDXKX-QGZVFWFLSA-N 2 1 270.505 4.301 10 0 CIAEMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000157480377 525635485 /nfs/dbraw/zinc/63/54/85/525635485.db2.gz OODRMDVRLLLMKO-JECHBYEQSA-N 2 1 286.806 4.135 10 0 CIAEMP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(C)c1 ZINC000227538786 525939559 /nfs/dbraw/zinc/93/95/59/525939559.db2.gz QQUHRBFNYRQVCL-GDIGMMSISA-N 2 1 280.415 4.099 10 0 CIAEMP CCCC1CCC([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000020547941 171245497 /nfs/dbraw/zinc/24/54/97/171245497.db2.gz BYLFEQBXZCQSSE-WWDZGPRUSA-N 2 1 280.500 4.199 10 0 CIAEMP CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CC[NH+](C(C)C)C(C)C ZINC000020548937 171245741 /nfs/dbraw/zinc/24/57/41/171245741.db2.gz XJNWQWRGJPJMSQ-KSZLIROESA-N 2 1 282.516 4.156 10 0 CIAEMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000020562469 171252350 /nfs/dbraw/zinc/25/23/50/171252350.db2.gz IMFHQJASIHQSKL-KURKYZTESA-N 2 1 294.527 4.301 10 0 CIAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000021788787 171323392 /nfs/dbraw/zinc/32/33/92/171323392.db2.gz FQBASVWLQIULKE-AOCRQIFASA-N 2 1 294.527 4.445 10 0 CIAEMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251703518 334367754 /nfs/dbraw/zinc/36/77/54/334367754.db2.gz OHYFDRQNGHQOLK-UXLLHSPISA-N 2 1 288.479 4.104 10 0 CIAEMP CC[N@@H+](CCCCC[NH2+]C(C)(C)C)C1CCCCC1 ZINC000052420124 521002506 /nfs/dbraw/zinc/00/25/06/521002506.db2.gz QAUUYTKXLNWSKG-UHFFFAOYSA-N 2 1 268.489 4.199 10 0 CIAEMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000157265258 525640134 /nfs/dbraw/zinc/64/01/34/525640134.db2.gz OODRMDVRLLLMKO-GOPGUHFVSA-N 2 1 286.806 4.135 10 0 CIAEMP CCCC1CCC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000020547940 171245532 /nfs/dbraw/zinc/24/55/32/171245532.db2.gz BYLFEQBXZCQSSE-AOCRQIFASA-N 2 1 280.500 4.199 10 0 CIAEMP C[N@@H+](Cc1ccccc1)C1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000021043907 171293752 /nfs/dbraw/zinc/29/37/52/171293752.db2.gz NUKVFKKTDORYKU-UHFFFAOYSA-N 2 1 288.479 4.052 10 0 CIAEMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000021788785 171323223 /nfs/dbraw/zinc/32/32/23/171323223.db2.gz FQBASVWLQIULKE-WWDZGPRUSA-N 2 1 294.527 4.445 10 0 CIAEMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000379622547 330143410 /nfs/dbraw/zinc/14/34/10/330143410.db2.gz GSLBUXZUJZXLAY-WDSOQIARSA-N 2 1 288.479 4.064 10 0 CIAEMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000379622547 330143412 /nfs/dbraw/zinc/14/34/12/330143412.db2.gz GSLBUXZUJZXLAY-WDSOQIARSA-N 2 1 288.479 4.064 10 0 CIAEMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251703522 334367635 /nfs/dbraw/zinc/36/76/35/334367635.db2.gz OHYFDRQNGHQOLK-ZMSDIMECSA-N 2 1 288.479 4.104 10 0 CIAEMP CCCC[N@@H+]([C@H](C)CC)[C@@H](C)CCC[NH2+]CCC ZINC000052372756 520553024 /nfs/dbraw/zinc/55/30/24/520553024.db2.gz SPYBXSVLMYOFJE-CVEARBPZSA-N 2 1 256.478 4.055 10 0 CIAEMP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000157316846 524047257 /nfs/dbraw/zinc/04/72/57/524047257.db2.gz JQHCZELRBSJSLE-FASAQXTFSA-N 2 1 280.415 4.044 10 0 CIAEMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000021502899 171306210 /nfs/dbraw/zinc/30/62/10/171306210.db2.gz JSWLYNYQCGOPBO-GJZGRUSLSA-N 2 1 294.870 4.255 10 0 CIAEMP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CCCCC1 ZINC000021791711 171324253 /nfs/dbraw/zinc/32/42/53/171324253.db2.gz HEDPIIFXXGJTKE-SJORKVTESA-N 2 1 294.527 4.445 10 0 CIAEMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000379622296 330143250 /nfs/dbraw/zinc/14/32/50/330143250.db2.gz GSLBUXZUJZXLAY-NEWSRXKRSA-N 2 1 288.479 4.064 10 0 CIAEMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000379622296 330143251 /nfs/dbraw/zinc/14/32/51/330143251.db2.gz GSLBUXZUJZXLAY-NEWSRXKRSA-N 2 1 288.479 4.064 10 0 CIAEMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000157265042 525587887 /nfs/dbraw/zinc/58/78/87/525587887.db2.gz OODRMDVRLLLMKO-MZPVMMEZSA-N 2 1 286.806 4.135 10 0 CIAEMP