smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](N[C@@H](C)c1ccccc1)c1ccc(C[NH+](C)C)cc1 ZINC000083293706 256702009 /nfs/dbraw/zinc/70/20/09/256702009.db2.gz BETPYJOWFACSHO-JKSUJKDBSA-N 1 3 282.431 4.160 10 0 CIAEHO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020545753 171243750 /nfs/dbraw/zinc/24/37/50/171243750.db2.gz UIOAKPSAJGFQLE-CVEARBPZSA-N 1 3 294.527 4.490 10 0 CIAEHO CC(C)[C@H]([NH2+]C[C@H](C)CN1CCCCC1)c1cccs1 ZINC000038042010 174044411 /nfs/dbraw/zinc/04/44/11/174044411.db2.gz BBJOEMLYKXAKPE-RDJZCZTQSA-N 1 3 294.508 4.157 10 0 CIAEHO CC(C)[C@H](NC[C@H](C)C[NH+]1CCCCC1)c1cccs1 ZINC000038042010 174044412 /nfs/dbraw/zinc/04/44/12/174044412.db2.gz BBJOEMLYKXAKPE-RDJZCZTQSA-N 1 3 294.508 4.157 10 0 CIAEHO CC(C)[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccccc1 ZINC000038042043 174044574 /nfs/dbraw/zinc/04/45/74/174044574.db2.gz NLXKVUCVRCVTFM-IEBWSBKVSA-N 1 3 288.479 4.095 10 0 CIAEHO CC(C)[C@@H](NC[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000038042043 174044577 /nfs/dbraw/zinc/04/45/77/174044577.db2.gz NLXKVUCVRCVTFM-IEBWSBKVSA-N 1 3 288.479 4.095 10 0 CIAEHO CCC1CCC([N@H+](C)[C@H](C)CCNC(C)(C)C)CC1 ZINC000052345653 519853693 /nfs/dbraw/zinc/85/36/93/519853693.db2.gz YCGJQCFWGQYQHN-QQFBHYJXSA-N 1 3 268.489 4.054 10 0 CIAEHO CCC1CCC([N@@H+](C)[C@H](C)CCNC(C)(C)C)CC1 ZINC000052345653 519853695 /nfs/dbraw/zinc/85/36/95/519853695.db2.gz YCGJQCFWGQYQHN-QQFBHYJXSA-N 1 3 268.489 4.054 10 0 CIAEHO CCCCCC[C@@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000020520009 171234062 /nfs/dbraw/zinc/23/40/62/171234062.db2.gz PACMNHCUTMLFCZ-SJORKVTESA-N 1 3 268.489 4.199 10 0 CIAEHO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)CN1CCCCC1 ZINC000038041669 174043113 /nfs/dbraw/zinc/04/31/13/174043113.db2.gz LWIIBANFUUDGCK-CABCVRRESA-N 1 3 294.870 4.113 10 0 CIAEHO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020545754 171243554 /nfs/dbraw/zinc/24/35/54/171243554.db2.gz UIOAKPSAJGFQLE-HOTGVXAUSA-N 1 3 294.527 4.490 10 0 CIAEHO CN([C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1)C1CCCCC1 ZINC000021011916 171287711 /nfs/dbraw/zinc/28/77/11/171287711.db2.gz YAYVYKTWPSEVNU-SFHVURJKSA-N 1 3 288.479 4.248 10 0 CIAEHO C[C@H]1C[C@H]([NH2+]CCCN2CCCC[C@@H]2C)CC(C)(C)C1 ZINC000021816716 171332277 /nfs/dbraw/zinc/33/22/77/171332277.db2.gz AWENVWRRPOYXEV-ULQDDVLXSA-N 1 3 280.500 4.055 10 0 CIAEHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000038041639 174043136 /nfs/dbraw/zinc/04/31/36/174043136.db2.gz NHCOQTJZEHKOOF-SJLPKXTDSA-N 1 3 288.479 4.076 10 0 CIAEHO CC1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000021009194 171286048 /nfs/dbraw/zinc/28/60/48/171286048.db2.gz VQRGUIWHBNXQIK-ROUUACIJSA-N 1 3 294.527 4.303 10 0 CIAEHO CC(C)[C@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccccc1 ZINC000038042044 174044392 /nfs/dbraw/zinc/04/43/92/174044392.db2.gz NLXKVUCVRCVTFM-HKUYNNGSSA-N 1 3 288.479 4.095 10 0 CIAEHO CC(C)[C@H](NC[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000038042044 174044394 /nfs/dbraw/zinc/04/43/94/174044394.db2.gz NLXKVUCVRCVTFM-HKUYNNGSSA-N 1 3 288.479 4.095 10 0 CIAEHO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c(C)s1 ZINC000038041898 174044507 /nfs/dbraw/zinc/04/45/07/174044507.db2.gz XLDKJKBNFISIDB-UKRRQHHQSA-N 1 3 294.508 4.138 10 0 CIAEHO CC[C@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccc(C)cc1 ZINC000021800662 171325962 /nfs/dbraw/zinc/32/59/62/171325962.db2.gz GFFOFUVSWXRRKH-HKUYNNGSSA-N 1 3 288.479 4.300 10 0 CIAEHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN(C)C)CC(C)(C)C1 ZINC000021804322 171326913 /nfs/dbraw/zinc/32/69/13/171326913.db2.gz DDHGKGGVQKDTDE-MAUKXSAKSA-N 1 3 288.479 4.053 10 0 CIAEHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@@H]2C)CC(C)(C)C1 ZINC000021816714 171332645 /nfs/dbraw/zinc/33/26/45/171332645.db2.gz AWENVWRRPOYXEV-IKGGRYGDSA-N 1 3 280.500 4.055 10 0 CIAEHO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1C ZINC000038041858 174044585 /nfs/dbraw/zinc/04/45/85/174044585.db2.gz VFMQQUFAAOPSEJ-CRAIPNDOSA-N 1 3 288.479 4.076 10 0 CIAEHO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1C ZINC000038041860 174044589 /nfs/dbraw/zinc/04/45/89/174044589.db2.gz VFMQQUFAAOPSEJ-MAUKXSAKSA-N 1 3 288.479 4.076 10 0 CIAEHO Cc1ccc([C@H](C)[NH2+]CCCN2CCCC[C@@H]2C)c(C)c1 ZINC000021501201 171305299 /nfs/dbraw/zinc/30/52/99/171305299.db2.gz BMUOZCOQKGFUST-ROUUACIJSA-N 1 3 288.479 4.219 10 0 CIAEHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2CN(C)C)CC(C)(C)C1 ZINC000021804327 171326577 /nfs/dbraw/zinc/32/65/77/171326577.db2.gz DDHGKGGVQKDTDE-YJBOKZPZSA-N 1 3 288.479 4.053 10 0 CIAEHO CC(C)[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1cccs1 ZINC000038042009 174044535 /nfs/dbraw/zinc/04/45/35/174044535.db2.gz BBJOEMLYKXAKPE-NVXWUHKLSA-N 1 3 294.508 4.157 10 0 CIAEHO CC(C)[C@@H](NC[C@@H](C)C[NH+]1CCCCC1)c1cccs1 ZINC000038042009 174044538 /nfs/dbraw/zinc/04/45/38/174044538.db2.gz BBJOEMLYKXAKPE-NVXWUHKLSA-N 1 3 294.508 4.157 10 0 CIAEHO CC[NH+](CC)CCC[C@@H](C)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000019914839 262205889 /nfs/dbraw/zinc/20/58/89/262205889.db2.gz HODICMDWIYIYOL-ZMSDIMECSA-N 1 3 292.467 4.003 10 0 CIAEHO CCC1CCC([N@H+](C)[C@@H](C)CCNC(C)(C)C)CC1 ZINC000052345652 519853358 /nfs/dbraw/zinc/85/33/58/519853358.db2.gz YCGJQCFWGQYQHN-FHERZECASA-N 1 3 268.489 4.054 10 0 CIAEHO CCC1CCC([N@@H+](C)[C@@H](C)CCNC(C)(C)C)CC1 ZINC000052345652 519853359 /nfs/dbraw/zinc/85/33/59/519853359.db2.gz YCGJQCFWGQYQHN-FHERZECASA-N 1 3 268.489 4.054 10 0 CIAEHO CC1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000021009193 171286133 /nfs/dbraw/zinc/28/61/33/171286133.db2.gz VQRGUIWHBNXQIK-ZWKOTPCHSA-N 1 3 294.527 4.303 10 0 CIAEHO CN([C@H](C[NH3+])c1ccc(C(C)(C)C)cc1)C1CCCCC1 ZINC000021011917 171287624 /nfs/dbraw/zinc/28/76/24/171287624.db2.gz YAYVYKTWPSEVNU-GOSISDBHSA-N 1 3 288.479 4.248 10 0 CIAEHO C[C@H]1C[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)CC(C)(C)C1 ZINC000021794333 171324881 /nfs/dbraw/zinc/32/48/81/171324881.db2.gz OMTWBCHTVCDBBP-KBPBESRZSA-N 1 3 280.500 4.100 10 0 CIAEHO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c(C)c1 ZINC000038041758 174042952 /nfs/dbraw/zinc/04/29/52/174042952.db2.gz CCUOQVAEAAUPLL-SJLPKXTDSA-N 1 3 288.479 4.076 10 0 CIAEHO C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1)CN1CCCCC1 ZINC000038041671 174043607 /nfs/dbraw/zinc/04/36/07/174043607.db2.gz LWIIBANFUUDGCK-HUUCEWRRSA-N 1 3 294.870 4.113 10 0 CIAEHO CC(C)[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1cccs1 ZINC000038042011 174044446 /nfs/dbraw/zinc/04/44/46/174044446.db2.gz BBJOEMLYKXAKPE-DOTOQJQBSA-N 1 3 294.508 4.157 10 0 CIAEHO CC(C)[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1cccs1 ZINC000038042011 174044447 /nfs/dbraw/zinc/04/44/47/174044447.db2.gz BBJOEMLYKXAKPE-DOTOQJQBSA-N 1 3 294.508 4.157 10 0 CIAEHO CC(C)[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccccc1 ZINC000038042042 174044794 /nfs/dbraw/zinc/04/47/94/174044794.db2.gz NLXKVUCVRCVTFM-MJGOQNOKSA-N 1 3 288.479 4.095 10 0 CIAEHO CC(C)[C@H](NC[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000038042042 174044795 /nfs/dbraw/zinc/04/47/95/174044795.db2.gz NLXKVUCVRCVTFM-MJGOQNOKSA-N 1 3 288.479 4.095 10 0 CIAEHO C[C@H](C[NH2+][C@H](C)c1cccc(Cl)c1)CN1CCCCC1 ZINC000038041703 174043478 /nfs/dbraw/zinc/04/34/78/174043478.db2.gz AANPSVZHQAVLNR-HUUCEWRRSA-N 1 3 294.870 4.113 10 0 CIAEHO C[C@H]([NH3+])[C@@H]1CCCN([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000226332269 333257311 /nfs/dbraw/zinc/25/73/11/333257311.db2.gz OHYFDRQNGHQOLK-YQQAZPJKSA-N 1 3 288.479 4.104 10 0 CIAEHO CCC[NH2+][C@H](CCN(C)CCC)c1ccc(Cl)cc1 ZINC000053978527 520068814 /nfs/dbraw/zinc/06/88/14/520068814.db2.gz GXUAUDYPLYWVJY-MRXNPFEDSA-N 1 3 282.859 4.113 10 0 CIAEHO CCCCC[N@H+](C(C)C)[C@@H](C)CCNC(C)(C)C ZINC000052544884 520149821 /nfs/dbraw/zinc/14/98/21/520149821.db2.gz STMJYFKTWGHFKU-HNNXBMFYSA-N 1 3 256.478 4.054 10 0 CIAEHO CCCCC[N@@H+](C(C)C)[C@@H](C)CCNC(C)(C)C ZINC000052544884 520149826 /nfs/dbraw/zinc/14/98/26/520149826.db2.gz STMJYFKTWGHFKU-HNNXBMFYSA-N 1 3 256.478 4.054 10 0 CIAEHO CC[C@@H](c1ccc(Cl)cc1)N1CCC(CC[NH2+]C)CC1 ZINC000070188765 517780663 /nfs/dbraw/zinc/78/06/63/517780663.db2.gz CUXGBNMZZSVTJC-KRWDZBQOSA-N 1 3 294.870 4.113 10 0 CIAEHO Cc1ccc(C)c([C@H](C)[NH2+]CCCN2CCCC[C@@H]2C)c1 ZINC000020546824 171244505 /nfs/dbraw/zinc/24/45/05/171244505.db2.gz CLJKOKCRPLUOQO-ROUUACIJSA-N 1 3 288.479 4.219 10 0 CIAEHO C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)CC(C)(C)C1 ZINC000021794322 171324779 /nfs/dbraw/zinc/32/47/79/171324779.db2.gz OMTWBCHTVCDBBP-ZIAGYGMSSA-N 1 3 280.500 4.100 10 0 CIAEHO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c(C)c1 ZINC000038041761 174043123 /nfs/dbraw/zinc/04/31/23/174043123.db2.gz CCUOQVAEAAUPLL-WMZOPIPTSA-N 1 3 288.479 4.076 10 0 CIAEHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000038041641 174043505 /nfs/dbraw/zinc/04/35/05/174043505.db2.gz NHCOQTJZEHKOOF-FUHWJXTLSA-N 1 3 288.479 4.076 10 0 CIAEHO CCCCC[N@H+](C(C)C)[C@H](C)CCNC(C)(C)C ZINC000052544885 520150100 /nfs/dbraw/zinc/15/01/00/520150100.db2.gz STMJYFKTWGHFKU-OAHLLOKOSA-N 1 3 256.478 4.054 10 0 CIAEHO CCCCC[N@@H+](C(C)C)[C@H](C)CCNC(C)(C)C ZINC000052544885 520150106 /nfs/dbraw/zinc/15/01/06/520150106.db2.gz STMJYFKTWGHFKU-OAHLLOKOSA-N 1 3 256.478 4.054 10 0 CIAEHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN(C)C)CC(C)(C)C1 ZINC000021804324 171326651 /nfs/dbraw/zinc/32/66/51/171326651.db2.gz DDHGKGGVQKDTDE-QAPCUYQASA-N 1 3 288.479 4.053 10 0 CIAEHO C[C@H]1C[C@@H]([NH2+]CCCN2CCCC[C@@H]2C)CC(C)(C)C1 ZINC000021816712 171332530 /nfs/dbraw/zinc/33/25/30/171332530.db2.gz AWENVWRRPOYXEV-YESZJQIVSA-N 1 3 280.500 4.055 10 0 CIAEHO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1C ZINC000038041859 174044148 /nfs/dbraw/zinc/04/41/48/174044148.db2.gz VFMQQUFAAOPSEJ-QAPCUYQASA-N 1 3 288.479 4.076 10 0 CIAEHO Cc1cc([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c(C)s1 ZINC000038041901 174044517 /nfs/dbraw/zinc/04/45/17/174044517.db2.gz XLDKJKBNFISIDB-ZFWWWQNUSA-N 1 3 294.508 4.138 10 0 CIAEHO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1C ZINC000038041861 174044544 /nfs/dbraw/zinc/04/45/44/174044544.db2.gz VFMQQUFAAOPSEJ-YJBOKZPZSA-N 1 3 288.479 4.076 10 0 CIAEHO CCCNC[C@@](C)(CC)C[NH+](CC(C)C)CC(C)C ZINC000104015400 185882925 /nfs/dbraw/zinc/88/29/25/185882925.db2.gz IPCHUBDSVVLOLS-QGZVFWFLSA-N 1 3 270.505 4.016 10 0 CIAEHO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020545755 171243574 /nfs/dbraw/zinc/24/35/74/171243574.db2.gz UIOAKPSAJGFQLE-HZPDHXFCSA-N 1 3 294.527 4.490 10 0 CIAEHO CCC[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000020564944 171253600 /nfs/dbraw/zinc/25/36/00/171253600.db2.gz HKKFHUOCZSRTRQ-KRWDZBQOSA-N 1 3 288.479 4.427 10 0 CIAEHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1cccc(Cl)c1 ZINC000038041702 174042958 /nfs/dbraw/zinc/04/29/58/174042958.db2.gz AANPSVZHQAVLNR-LSDHHAIUSA-N 1 3 294.870 4.113 10 0 CIAEHO C[C@@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)CN1CCCCC1 ZINC000038041700 174043440 /nfs/dbraw/zinc/04/34/40/174043440.db2.gz AANPSVZHQAVLNR-GJZGRUSLSA-N 1 3 294.870 4.113 10 0 CIAEHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000038041642 174043687 /nfs/dbraw/zinc/04/36/87/174043687.db2.gz NHCOQTJZEHKOOF-WMZOPIPTSA-N 1 3 288.479 4.076 10 0 CIAEHO CCCNC[C@](C)(CC)C[NH+](CC(C)C)CC(C)C ZINC000104015406 185882602 /nfs/dbraw/zinc/88/26/02/185882602.db2.gz IPCHUBDSVVLOLS-KRWDZBQOSA-N 1 3 270.505 4.016 10 0 CIAEHO CCCC1CCC([NH2+]Cc2ccccc2CN(C)C)CC1 ZINC000020553902 171249112 /nfs/dbraw/zinc/24/91/12/171249112.db2.gz UZOXHCKOGVYYPV-UHFFFAOYSA-N 1 3 288.479 4.197 10 0 CIAEHO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)CN1CCCCC1 ZINC000038041668 174042770 /nfs/dbraw/zinc/04/27/70/174042770.db2.gz LWIIBANFUUDGCK-GJZGRUSLSA-N 1 3 294.870 4.113 10 0 CIAEHO Cc1cc([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c(C)s1 ZINC000038041900 174043939 /nfs/dbraw/zinc/04/39/39/174043939.db2.gz XLDKJKBNFISIDB-DZGCQCFKSA-N 1 3 294.508 4.138 10 0 CIAEHO CC(C)[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccccc1 ZINC000038042045 174044009 /nfs/dbraw/zinc/04/40/09/174044009.db2.gz NLXKVUCVRCVTFM-PKOBYXMFSA-N 1 3 288.479 4.095 10 0 CIAEHO CC(C)[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000038042045 174044010 /nfs/dbraw/zinc/04/40/10/174044010.db2.gz NLXKVUCVRCVTFM-PKOBYXMFSA-N 1 3 288.479 4.095 10 0 CIAEHO CC(C)[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1cccs1 ZINC000038042008 174044680 /nfs/dbraw/zinc/04/46/80/174044680.db2.gz BBJOEMLYKXAKPE-WBVHZDCISA-N 1 3 294.508 4.157 10 0 CIAEHO CC(C)[C@H](NC[C@@H](C)C[NH+]1CCCCC1)c1cccs1 ZINC000038042008 174044682 /nfs/dbraw/zinc/04/46/82/174044682.db2.gz BBJOEMLYKXAKPE-WBVHZDCISA-N 1 3 294.508 4.157 10 0 CIAEHO C[C@H]([NH3+])[C@H]1CCCN([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000226332275 333257211 /nfs/dbraw/zinc/25/72/11/333257211.db2.gz OHYFDRQNGHQOLK-ZOBUZTSGSA-N 1 3 288.479 4.104 10 0 CIAEHO CN(CC1CCC(C(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000135424264 334129438 /nfs/dbraw/zinc/12/94/38/334129438.db2.gz OIOQKPHEKAYTKY-DDEIOVDASA-N 1 3 292.511 4.054 10 0 CIAEHO CCCCCC[C@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000020520010 171234120 /nfs/dbraw/zinc/23/41/20/171234120.db2.gz PACMNHCUTMLFCZ-IRXDYDNUSA-N 1 3 268.489 4.199 10 0 CIAEHO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020545756 171243766 /nfs/dbraw/zinc/24/37/66/171243766.db2.gz UIOAKPSAJGFQLE-JKSUJKDBSA-N 1 3 294.527 4.490 10 0 CIAEHO CCC[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000020564942 171253466 /nfs/dbraw/zinc/25/34/66/171253466.db2.gz HKKFHUOCZSRTRQ-QGZVFWFLSA-N 1 3 288.479 4.427 10 0 CIAEHO CC1CCN(CCC[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000021009196 171286039 /nfs/dbraw/zinc/28/60/39/171286039.db2.gz VQRGUIWHBNXQIK-MSOLQXFVSA-N 1 3 294.527 4.303 10 0 CIAEHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC[C@@H]2C)CC(C)(C)C1 ZINC000021816710 171332289 /nfs/dbraw/zinc/33/22/89/171332289.db2.gz AWENVWRRPOYXEV-IXDOHACOSA-N 1 3 280.500 4.055 10 0 CIAEHO C[C@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)CN1CCCCC1 ZINC000038041701 174042726 /nfs/dbraw/zinc/04/27/26/174042726.db2.gz AANPSVZHQAVLNR-CABCVRRESA-N 1 3 294.870 4.113 10 0 CIAEHO Cc1cc([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c(C)s1 ZINC000038041899 174044735 /nfs/dbraw/zinc/04/47/35/174044735.db2.gz XLDKJKBNFISIDB-HIFRSBDPSA-N 1 3 294.508 4.138 10 0 CIAEHO CCCCN(CCCC)[C@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043103236 174968756 /nfs/dbraw/zinc/96/87/56/174968756.db2.gz AJOYAKVUWRJGRP-HIFRSBDPSA-N 1 3 268.470 4.039 10 0 CIAEHO Cc1ccc([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1F ZINC000094837534 265263798 /nfs/dbraw/zinc/26/37/98/265263798.db2.gz NBIAXQURBUQYGO-AWEZNQCLSA-N 1 3 292.442 4.048 10 0 CIAEHO CCCC1CCC([NH2+]CCCN2CCCC[C@H]2C)CC1 ZINC000020547941 171245498 /nfs/dbraw/zinc/24/54/98/171245498.db2.gz BYLFEQBXZCQSSE-WWDZGPRUSA-N 1 3 280.500 4.199 10 0 CIAEHO C[C@H]1CCCCN1CCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000021788787 171323394 /nfs/dbraw/zinc/32/33/94/171323394.db2.gz FQBASVWLQIULKE-AOCRQIFASA-N 1 3 294.527 4.445 10 0 CIAEHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN(C)C)CC(C)(C)C1 ZINC000021804319 171326566 /nfs/dbraw/zinc/32/65/66/171326566.db2.gz DDHGKGGVQKDTDE-CRAIPNDOSA-N 1 3 288.479 4.053 10 0 CIAEHO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c(C)c1 ZINC000038041759 174043042 /nfs/dbraw/zinc/04/30/42/174043042.db2.gz CCUOQVAEAAUPLL-AEFFLSMTSA-N 1 3 288.479 4.076 10 0 CIAEHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(Cl)cc1 ZINC000038041670 174043682 /nfs/dbraw/zinc/04/36/82/174043682.db2.gz LWIIBANFUUDGCK-LSDHHAIUSA-N 1 3 294.870 4.113 10 0 CIAEHO CC[NH+](CC)CCC[C@@H](C)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000019914843 262206209 /nfs/dbraw/zinc/20/62/09/262206209.db2.gz HODICMDWIYIYOL-UXLLHSPISA-N 1 3 292.467 4.003 10 0 CIAEHO C[C@H](c1ccc(C(C)(C)C)cc1)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251703518 334367755 /nfs/dbraw/zinc/36/77/55/334367755.db2.gz OHYFDRQNGHQOLK-UXLLHSPISA-N 1 3 288.479 4.104 10 0 CIAEHO CCCC1CCC([NH2+]CCCN2CCCC[C@@H]2C)CC1 ZINC000020547940 171245534 /nfs/dbraw/zinc/24/55/34/171245534.db2.gz BYLFEQBXZCQSSE-AOCRQIFASA-N 1 3 280.500 4.199 10 0 CIAEHO C[C@@H]1CCCCN1CCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000021788785 171323224 /nfs/dbraw/zinc/32/32/24/171323224.db2.gz FQBASVWLQIULKE-WWDZGPRUSA-N 1 3 294.527 4.445 10 0 CIAEHO CCCC[NH+](CCCC)[C@H]1C[C@H](CC)CC[C@@H]1CN ZINC000037158942 172994630 /nfs/dbraw/zinc/99/46/30/172994630.db2.gz TYMAKHFHKVLSFU-ZACQAIPSSA-N 1 3 268.489 4.042 10 0 CIAEHO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c(C)c1 ZINC000038041760 174042915 /nfs/dbraw/zinc/04/29/15/174042915.db2.gz CCUOQVAEAAUPLL-FUHWJXTLSA-N 1 3 288.479 4.076 10 0 CIAEHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000038041640 174043424 /nfs/dbraw/zinc/04/34/24/174043424.db2.gz NHCOQTJZEHKOOF-AEFFLSMTSA-N 1 3 288.479 4.076 10 0 CIAEHO C[C@H](c1ccc(C(C)(C)C)cc1)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251703522 334367636 /nfs/dbraw/zinc/36/76/36/334367636.db2.gz OHYFDRQNGHQOLK-ZMSDIMECSA-N 1 3 288.479 4.104 10 0 CIAEHO CC1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000021009195 171286000 /nfs/dbraw/zinc/28/60/00/171286000.db2.gz VQRGUIWHBNXQIK-QZTJIDSGSA-N 1 3 294.527 4.303 10 0 CIAEHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000021502899 171306216 /nfs/dbraw/zinc/30/62/16/171306216.db2.gz JSWLYNYQCGOPBO-GJZGRUSLSA-N 1 3 294.870 4.255 10 0 CIAEHO C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)CC(C)(C)C1 ZINC000021794329 171324660 /nfs/dbraw/zinc/32/46/60/171324660.db2.gz OMTWBCHTVCDBBP-KGLIPLIRSA-N 1 3 280.500 4.100 10 0 CIAEHO C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)CC(C)(C)C1 ZINC000021794325 171324713 /nfs/dbraw/zinc/32/47/13/171324713.db2.gz OMTWBCHTVCDBBP-UONOGXRCSA-N 1 3 280.500 4.100 10 0 CIAEHO CCC[NH2+][C@@H](CCN(CC)CC)c1ccc(Cl)cc1 ZINC000053976384 519995858 /nfs/dbraw/zinc/99/58/58/519995858.db2.gz FJZJFTJKQHWBQI-INIZCTEOSA-N 1 3 282.859 4.113 10 0 CIAEHO