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](NC(=O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1)c1ccc2c(c1)CCCC2 ZINC000328932628 1083155098 /nfs/dbraw/zinc/15/50/98/1083155098.db2.gz DNEWNQNWGWRFGX-HRAATJIYSA-N 1 1 366.509 4.154 10 30 FIEEMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1cnn(C)c1)c1ccc2c(c1)CCCC2 ZINC000328932628 1083155103 /nfs/dbraw/zinc/15/51/03/1083155103.db2.gz DNEWNQNWGWRFGX-HRAATJIYSA-N 1 1 366.509 4.154 10 30 FIEEMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000329014601 1094712304 /nfs/dbraw/zinc/71/23/04/1094712304.db2.gz FVSVDLXCHDXHGP-GDBMZVCRSA-N 1 1 354.454 4.030 10 30 FIEEMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000329014601 1094712317 /nfs/dbraw/zinc/71/23/17/1094712317.db2.gz FVSVDLXCHDXHGP-GDBMZVCRSA-N 1 1 354.454 4.030 10 30 FIEEMO O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000329169623 1094762760 /nfs/dbraw/zinc/76/27/60/1094762760.db2.gz JRLUHEOTIFMWNE-GUYCJALGSA-N 1 1 359.495 4.112 10 30 FIEEMO Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)CCC2 ZINC000329344430 1094851726 /nfs/dbraw/zinc/85/17/26/1094851726.db2.gz BOHWXGCFUXDCNG-VQTJNVASSA-N 1 1 366.509 4.080 10 30 FIEEMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000328774791 1104556840 /nfs/dbraw/zinc/55/68/40/1104556840.db2.gz HTWQDGNIXWOKMC-ZTUGVUQSSA-N 1 1 374.569 4.173 10 30 FIEEMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1C ZINC000329031130 1094717552 /nfs/dbraw/zinc/71/75/52/1094717552.db2.gz LJKXTZHQHPMAGF-GDBMZVCRSA-N 1 1 354.454 4.030 10 30 FIEEMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1C ZINC000329031130 1094717565 /nfs/dbraw/zinc/71/75/65/1094717565.db2.gz LJKXTZHQHPMAGF-GDBMZVCRSA-N 1 1 354.454 4.030 10 30 FIEEMO C=CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1 ZINC000036096023 518725201 /nfs/dbraw/zinc/72/52/01/518725201.db2.gz IRWVCLPQIHHDPQ-FQEVSTJZSA-N 1 1 373.468 4.172 10 30 FIEEMO CCc1[nH+]ccn1[C@@H]1CCCN(c2c(C#N)cnc3c(C)cc(F)cc32)C1 ZINC000301403287 1085263084 /nfs/dbraw/zinc/26/30/84/1085263084.db2.gz RSFUERZGMHIGKE-QGZVFWFLSA-N 1 1 363.440 4.154 10 30 FIEEMO CCc1[nH+]ccn1[C@@H]1CCCN(c2c(C#N)cnc3c(C)cc(C)cc32)C1 ZINC000301410347 1085263652 /nfs/dbraw/zinc/26/36/52/1085263652.db2.gz XRUIRAVYKGFKEO-GOSISDBHSA-N 1 1 359.477 4.324 10 30 FIEEMO Cc1ccc([C@H](NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)C2CC2)cc1 ZINC000330139484 1089643064 /nfs/dbraw/zinc/64/30/64/1089643064.db2.gz WHRAOJOJDNITEN-ILWGZMRPSA-N 1 1 356.510 4.030 10 30 FIEEMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000329028248 1094715992 /nfs/dbraw/zinc/71/59/92/1094715992.db2.gz KMFMIHSNOQKUSS-ZBFHGGJFSA-N 1 1 354.454 4.030 10 30 FIEEMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000329028248 1094715999 /nfs/dbraw/zinc/71/59/99/1094715999.db2.gz KMFMIHSNOQKUSS-ZBFHGGJFSA-N 1 1 354.454 4.030 10 30 FIEEMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C[C@@H]2CCCCNC2=O)C[C@H](C)O1 ZINC000329809176 1095272345 /nfs/dbraw/zinc/27/23/45/1095272345.db2.gz AYXFFTVXBHKSBM-BBWFWOEESA-N 1 1 373.497 4.031 10 30 FIEEMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C[C@@H]2CCCCNC2=O)C[C@H](C)O1 ZINC000329809176 1095272361 /nfs/dbraw/zinc/27/23/61/1095272361.db2.gz AYXFFTVXBHKSBM-BBWFWOEESA-N 1 1 373.497 4.031 10 30 FIEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)C1 ZINC000329685937 1087186778 /nfs/dbraw/zinc/18/67/78/1087186778.db2.gz UUNLZSIDWALNBC-CTNGQTDRSA-N 1 1 366.509 4.456 10 30 FIEEMO [O-]C(=[NH+]C1CC(c2cccc(Cl)c2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329774736 1087286562 /nfs/dbraw/zinc/28/65/62/1087286562.db2.gz MOUDCFRGSOLVOK-HPUBIQBYSA-N 1 1 358.873 4.103 10 30 FIEEMO O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000328722412 1104533878 /nfs/dbraw/zinc/53/38/78/1104533878.db2.gz XMJXMUKZNLIHEO-FUHWJXTLSA-N 1 1 373.472 4.036 10 30 FIEEMO C[N@H+]1CCc2nc(SCc3ccco3)c(C#N)c(-c3ccccc3)c2C1 ZINC000040570075 205072669 /nfs/dbraw/zinc/07/26/69/205072669.db2.gz WFVOIQYHACQXTI-UHFFFAOYSA-N 1 1 361.470 4.493 10 30 FIEEMO C=CCC[C@@H](C[N@@H+](C)Cc1cccnc1)Oc1ccc(CSC)cn1 ZINC000072431981 571053592 /nfs/dbraw/zinc/05/35/92/571053592.db2.gz BQDATFXFFQEUIU-IBGZPJMESA-N 1 1 357.523 4.185 10 30 FIEEMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1C ZINC000329031131 1094718091 /nfs/dbraw/zinc/71/80/91/1094718091.db2.gz LJKXTZHQHPMAGF-GOEBONIOSA-N 1 1 354.454 4.030 10 30 FIEEMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1C ZINC000329031131 1094718110 /nfs/dbraw/zinc/71/81/10/1094718110.db2.gz LJKXTZHQHPMAGF-GOEBONIOSA-N 1 1 354.454 4.030 10 30 FIEEMO C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328737199 1104545658 /nfs/dbraw/zinc/54/56/58/1104545658.db2.gz LPJAMCYSHHWUIR-JVJLKXRTSA-N 1 1 350.547 4.173 10 30 FIEEMO COc1ccc(C)cc1CO/[NH+]=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000032741496 523814010 /nfs/dbraw/zinc/81/40/10/523814010.db2.gz SZZQPMMLGLCKQJ-FYJGNVAPSA-N 1 1 369.421 4.063 10 30 FIEEMO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1)c1ccc2c(c1)CCCC2 ZINC000328932630 1083155825 /nfs/dbraw/zinc/15/58/25/1083155825.db2.gz DNEWNQNWGWRFGX-KKSFZXQISA-N 1 1 366.509 4.154 10 30 FIEEMO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1cnn(C)c1)c1ccc2c(c1)CCCC2 ZINC000328932630 1083155829 /nfs/dbraw/zinc/15/58/29/1083155829.db2.gz DNEWNQNWGWRFGX-KKSFZXQISA-N 1 1 366.509 4.154 10 30 FIEEMO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@H]3CCCC[C@H]32)sc2c1CCCC2 ZINC000329147391 1086721409 /nfs/dbraw/zinc/72/14/09/1086721409.db2.gz OZELIMWGYHLNCX-SJORKVTESA-N 1 1 373.522 4.120 10 30 FIEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCc2csc3ccccc23)C1 ZINC000329591655 1087067753 /nfs/dbraw/zinc/06/77/53/1087067753.db2.gz NWSTYMXALOWZBV-INIZCTEOSA-N 1 1 368.506 4.411 10 30 FIEEMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329014291 1094711498 /nfs/dbraw/zinc/71/14/98/1094711498.db2.gz FSYIJFMXODEPDG-OCCSQVGLSA-N 1 1 374.872 4.375 10 30 FIEEMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329014291 1094711520 /nfs/dbraw/zinc/71/15/20/1094711520.db2.gz FSYIJFMXODEPDG-OCCSQVGLSA-N 1 1 374.872 4.375 10 30 FIEEMO CC(=O)N[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(C)cc1 ZINC000329165587 1094762808 /nfs/dbraw/zinc/76/28/08/1094762808.db2.gz HNYXKIPPFRGZAA-UYAOXDASSA-N 1 1 357.498 4.376 10 30 FIEEMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2[C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000328730471 1104558051 /nfs/dbraw/zinc/55/80/51/1104558051.db2.gz HZQCTFUGAWWXAD-TWUVWWFLSA-N 1 1 356.510 4.108 10 30 FIEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2C)C2CC2)C1 ZINC000329658809 1087157732 /nfs/dbraw/zinc/15/77/32/1087157732.db2.gz HJDANFOSNLPYHG-WIYYLYMNSA-N 1 1 366.509 4.456 10 30 FIEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000329115989 1094745353 /nfs/dbraw/zinc/74/53/53/1094745353.db2.gz TTWJGRYCKFCDSF-VQIMIIECSA-N 1 1 367.497 4.139 10 30 FIEEMO O=C(NC[C@@H]1C[C@H]1C1CCCCC1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000329358295 1094859993 /nfs/dbraw/zinc/85/99/93/1094859993.db2.gz WZUPGDZRCPCILY-BVSLBCMMSA-N 1 1 370.537 4.357 10 30 FIEEMO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328737198 1104546015 /nfs/dbraw/zinc/54/60/15/1104546015.db2.gz LPJAMCYSHHWUIR-CJGGRQNCSA-N 1 1 350.547 4.173 10 30 FIEEMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1 ZINC000036096021 518717939 /nfs/dbraw/zinc/71/79/39/518717939.db2.gz IRWVCLPQIHHDPQ-HXUWFJFHSA-N 1 1 373.468 4.172 10 30 FIEEMO NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C1 ZINC000329546484 1087022274 /nfs/dbraw/zinc/02/22/74/1087022274.db2.gz DKYRWEPIOWQQGC-IWQHBPENSA-N 1 1 369.509 4.339 10 30 FIEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2C)C2CC2)C1 ZINC000329658808 1087157607 /nfs/dbraw/zinc/15/76/07/1087157607.db2.gz HJDANFOSNLPYHG-NQIIRXRSSA-N 1 1 366.509 4.456 10 30 FIEEMO Cc1[nH+]ccn1C[C@H]1CCCN1C([O-])=[NH+]C1CC(c2cccc(Cl)c2)C1 ZINC000330202014 1090374877 /nfs/dbraw/zinc/37/48/77/1090374877.db2.gz YSOFEROAWYKORB-NKELODKYSA-N 1 1 372.900 4.170 10 30 FIEEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000330202014 1090374888 /nfs/dbraw/zinc/37/48/88/1090374888.db2.gz YSOFEROAWYKORB-NKELODKYSA-N 1 1 372.900 4.170 10 30 FIEEMO COc1ccccc1[C@H]1CCC[C@@H](C)[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000329042738 1094723122 /nfs/dbraw/zinc/72/31/22/1094723122.db2.gz DWABMWKOWNLSQK-FQELHTAISA-N 1 1 355.482 4.259 10 30 FIEEMO COc1ccccc1[C@H]1CCC[C@@H](C)[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000329042738 1094723130 /nfs/dbraw/zinc/72/31/30/1094723130.db2.gz DWABMWKOWNLSQK-FQELHTAISA-N 1 1 355.482 4.259 10 30 FIEEMO O=C(NC[C@@H]1C[C@H]1C1CCCCC1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000329358298 1094859464 /nfs/dbraw/zinc/85/94/64/1094859464.db2.gz WZUPGDZRCPCILY-ILWGZMRPSA-N 1 1 370.537 4.357 10 30 FIEEMO CCC[N@@H+](CC(C)(C)CCC#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000092710074 1102525012 /nfs/dbraw/zinc/52/50/12/1102525012.db2.gz OXOAYIOHHYXUPX-UHFFFAOYSA-N 1 1 355.526 4.333 10 30 FIEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC[N@H+]1C ZINC000328920755 1104602174 /nfs/dbraw/zinc/60/21/74/1104602174.db2.gz BEZFCYPDOWTEJR-ZFORQUDYSA-N 1 1 372.557 4.366 10 30 FIEEMO C[C@H](NC([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)c(Cl)c1 ZINC000329912318 1083694102 /nfs/dbraw/zinc/69/41/02/1083694102.db2.gz OGZSUNPKVXLYBO-NWDGAFQWSA-N 1 1 367.280 4.017 10 30 FIEEMO Cc1c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cnn1-c1ccc(Cl)cc1 ZINC000329190085 1086751585 /nfs/dbraw/zinc/75/15/85/1086751585.db2.gz RUKYNRPYRSQTNK-INIZCTEOSA-N 1 1 372.900 4.156 10 30 FIEEMO CCc1nccn1[C@@H]1CCC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000329131473 1094752461 /nfs/dbraw/zinc/75/24/61/1094752461.db2.gz AFGKOOHDYVJDLD-RQJZOYDLSA-N 1 1 370.541 4.008 10 30 FIEEMO O=C(NC[C@@H]1CCCC[C@@H]1O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329438327 1094906040 /nfs/dbraw/zinc/90/60/40/1094906040.db2.gz KESUSLRWXYNPTQ-AOIWGVFYSA-N 1 1 359.514 4.001 10 30 FIEEMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000329844082 1095290621 /nfs/dbraw/zinc/29/06/21/1095290621.db2.gz PQEGPXNBLFELOO-SJORKVTESA-N 1 1 360.502 4.079 10 30 FIEEMO CCc1[nH+]ccn1[C@H]1CCCN(c2c(C#N)cnc3c(C)cc(F)cc32)C1 ZINC000301403286 1085263688 /nfs/dbraw/zinc/26/36/88/1085263688.db2.gz RSFUERZGMHIGKE-KRWDZBQOSA-N 1 1 363.440 4.154 10 30 FIEEMO [O-]C(=[NH+]C1CC(c2cccc(Cl)c2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329774737 1087286826 /nfs/dbraw/zinc/28/68/26/1087286826.db2.gz MOUDCFRGSOLVOK-UQPPLGOBSA-N 1 1 358.873 4.103 10 30 FIEEMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c(C)c1 ZINC000329067439 1094726241 /nfs/dbraw/zinc/72/62/41/1094726241.db2.gz XADDXNZLHCTVGG-HOCLYGCPSA-N 1 1 354.454 4.030 10 30 FIEEMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c(C)c1 ZINC000329067439 1094726254 /nfs/dbraw/zinc/72/62/54/1094726254.db2.gz XADDXNZLHCTVGG-HOCLYGCPSA-N 1 1 354.454 4.030 10 30 FIEEMO O=C(CC[C@@H]1Cc2ccccc2NC1=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000329138797 1094754327 /nfs/dbraw/zinc/75/43/27/1094754327.db2.gz DXHKQRJQWJCYKQ-SJORKVTESA-N 1 1 355.482 4.201 10 30 FIEEMO O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000329169621 1094763179 /nfs/dbraw/zinc/76/31/79/1094763179.db2.gz JRLUHEOTIFMWNE-DYVFJYSZSA-N 1 1 359.495 4.112 10 30 FIEEMO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328761372 1082254658 /nfs/dbraw/zinc/25/46/58/1082254658.db2.gz XYVANGXDJYLXRU-XPSJOHQASA-N 1 1 362.558 4.483 10 30 FIEEMO CCc1[nH+]ccn1[C@H]1CCCN(c2c(C#N)cnc3c(C)cc(C)cc32)C1 ZINC000301410349 1085263597 /nfs/dbraw/zinc/26/35/97/1085263597.db2.gz XRUIRAVYKGFKEO-SFHVURJKSA-N 1 1 359.477 4.324 10 30 FIEEMO Cc1noc(C)c1CNC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000329701645 1087207116 /nfs/dbraw/zinc/20/71/16/1087207116.db2.gz HNSDIUGQCGQTFQ-NQIIRXRSSA-N 1 1 353.466 4.050 10 30 FIEEMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000330019264 1095353338 /nfs/dbraw/zinc/35/33/38/1095353338.db2.gz UUXAAKUCDWJOBE-SCLBCKFNSA-N 1 1 363.465 4.166 10 30 FIEEMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000328951763 1104596916 /nfs/dbraw/zinc/59/69/16/1104596916.db2.gz CRPWLYHLVXQXLC-HOCLYGCPSA-N 1 1 354.454 4.030 10 30 FIEEMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000328951763 1104596920 /nfs/dbraw/zinc/59/69/20/1104596920.db2.gz CRPWLYHLVXQXLC-HOCLYGCPSA-N 1 1 354.454 4.030 10 30 FIEEMO CCC(C)N=Nc1nc2cc(Cl)c(N3CC[NH+](CC)CC3)cc2s1 ZINC000078575852 520182568 /nfs/dbraw/zinc/18/25/68/520182568.db2.gz JTXUPHOWAFOZET-UDWIEESQSA-N 1 1 365.934 4.289 10 30 FIEEMO C=C(C)COc1cccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3CC)C2)c1 ZINC000150839615 568216103 /nfs/dbraw/zinc/21/61/03/568216103.db2.gz XFPJLYITHIOKLQ-GOSISDBHSA-N 1 1 368.481 4.269 10 30 FIEEMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)c1 ZINC000330256803 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C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329058381 1094724835 /nfs/dbraw/zinc/72/48/35/1094724835.db2.gz UBOZNKNXWUTFAK-AAEUAGOBSA-N 1 1 360.845 4.066 10 30 FIEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CCC[N@H+]1C ZINC000329086548 1094732837 /nfs/dbraw/zinc/73/28/37/1094732837.db2.gz GVMNJSVLTJRLCY-VDRZXAFZSA-N 1 1 372.557 4.366 10 30 FIEEMO C=CC[N@@H+](Cc1ccc(Sc2nncn2C)o1)Cc1ccc(C)s1 ZINC000067804855 518784481 /nfs/dbraw/zinc/78/44/81/518784481.db2.gz NFOKPZZXYOGUFZ-UHFFFAOYSA-N 1 1 360.508 4.117 10 30 FIEEMO C=CC[N@H+](Cc1ccc(Sc2nncn2C)o1)Cc1ccc(C)s1 ZINC000067804855 518784487 /nfs/dbraw/zinc/78/44/87/518784487.db2.gz NFOKPZZXYOGUFZ-UHFFFAOYSA-N 1 1 360.508 4.117 10 30 FIEEMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)c1 ZINC000330256804 1086319554 /nfs/dbraw/zinc/31/95/54/1086319554.db2.gz QGXNPHQLWGNAPH-PKOBYXMFSA-N 1 1 352.482 4.475 10 30 FIEEMO Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cnn1-c1ccc(Cl)cc1 ZINC000329190086 1086751833 /nfs/dbraw/zinc/75/18/33/1086751833.db2.gz RUKYNRPYRSQTNK-MRXNPFEDSA-N 1 1 372.900 4.156 10 30 FIEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)C1 ZINC000329685941 1087186402 /nfs/dbraw/zinc/18/64/02/1087186402.db2.gz UUNLZSIDWALNBC-TZIWHRDSSA-N 1 1 366.509 4.456 10 30 FIEEMO O=C(CC[C@@H]1Cc2ccccc2NC1=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000329138793 1094754529 /nfs/dbraw/zinc/75/45/29/1094754529.db2.gz DXHKQRJQWJCYKQ-IAGOWNOFSA-N 1 1 355.482 4.201 10 30 FIEEMO CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000328696546 1104539158 /nfs/dbraw/zinc/53/91/58/1104539158.db2.gz GVLFPQIJXYZEQR-IBGZPJMESA-N 1 1 352.482 4.217 10 30 FIEEMO Cc1[nH+]c2cc(C)c(C)cc2n1CCCNC(=O)Nc1ccc(C#N)cc1 ZINC000004057404 263331079 /nfs/dbraw/zinc/33/10/79/263331079.db2.gz ZTDRTJAMIZIVEX-UHFFFAOYSA-N 1 1 361.449 4.045 10 30 FIEEMO C=CCOc1ccccc1C[N@H+]1CCOc2ccc([C@@H](O)C(C)C)cc2C1 ZINC000011840032 263368280 /nfs/dbraw/zinc/36/82/80/263368280.db2.gz PRHIXRYFPQPEBZ-QHCPKHFHSA-N 1 1 367.489 4.335 10 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