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)CN1CCC[C@@H]1c1cnn(C)c1)c1ccc2c(c1)CCCC2 ZINC000328932628 1083155083 /nfs/dbraw/zinc/15/50/83/1083155083.db2.gz DNEWNQNWGWRFGX-HRAATJIYSA-N 1 0 366.509 4.154 10 30 FIEERO O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329169623 1094762751 /nfs/dbraw/zinc/76/27/51/1094762751.db2.gz JRLUHEOTIFMWNE-GUYCJALGSA-N 1 0 359.495 4.112 10 30 FIEERO Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)CCC2 ZINC000329344430 1094851718 /nfs/dbraw/zinc/85/17/18/1094851718.db2.gz BOHWXGCFUXDCNG-VQTJNVASSA-N 1 0 366.509 4.080 10 30 FIEERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000328774791 1104556835 /nfs/dbraw/zinc/55/68/35/1104556835.db2.gz HTWQDGNIXWOKMC-ZTUGVUQSSA-N 1 0 374.569 4.173 10 30 FIEERO Cc1cccc(NC2=C([n+]3cc(C)cc(C)c3)C(=O)c3ccccc3C2=O)c1 ZINC000040963403 205086580 /nfs/dbraw/zinc/08/65/80/205086580.db2.gz LPHVTYQICOKCGV-UHFFFAOYSA-O 1 0 369.444 4.259 10 30 FIEERO C=CCOc1c(Cl)cc(C[NH2+]CCc2ccccc2OC)cc1OC ZINC000013719168 571120341 /nfs/dbraw/zinc/12/03/41/571120341.db2.gz MBPSXGAPQZRRNG-UHFFFAOYSA-N 1 0 361.869 4.254 10 30 FIEERO Cc1ccc(NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)c(Br)c1 ZINC000015457941 717112368 /nfs/dbraw/zinc/11/23/68/717112368.db2.gz OGVRGJIPFXCSGL-ZDUSSCGKSA-O 1 0 354.312 4.104 10 30 FIEERO C[N+](C)(C1CCCC1)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000182700455 717157561 /nfs/dbraw/zinc/15/75/61/717157561.db2.gz CUIPIWPPFAKFDM-GOSISDBHSA-N 1 0 369.451 4.215 10 30 FIEERO Cc1ccc([C@H](CNC(=O)C[C@H]2CCCCC(=O)N2)[NH+]2CCCC2)cc1 ZINC000328671486 1104530415 /nfs/dbraw/zinc/53/04/15/1104530415.db2.gz NKKRQOJLWIJISZ-MOPGFXCFSA-N 1 0 357.498 4.378 10 30 FIEERO CNC(SCc1ccccc1)=C(C(=O)c1ccccc1)[n+]1ccccc1 ZINC000040570384 205073146 /nfs/dbraw/zinc/07/31/46/205073146.db2.gz AFBUZYLQLZBINH-UHFFFAOYSA-O 1 0 361.490 4.136 10 30 FIEERO C=CCC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1 ZINC000036096023 518725196 /nfs/dbraw/zinc/72/51/96/518725196.db2.gz IRWVCLPQIHHDPQ-FQEVSTJZSA-N 1 0 373.468 4.172 10 30 FIEERO C[N+](C)(CC(=O)Nc1ccc(OCc2ccccc2)cc1)C1CCCC1 ZINC000007760637 717106049 /nfs/dbraw/zinc/10/60/49/717106049.db2.gz ZWFUIAAXFASQDU-UHFFFAOYSA-O 1 0 353.486 4.223 10 30 FIEERO C[N+](C)(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)C1CCCC1 ZINC000029414244 717118473 /nfs/dbraw/zinc/11/84/73/717118473.db2.gz JNHPRBCUSSIYLG-KRWDZBQOSA-N 1 0 372.514 4.038 10 30 FIEERO Cc1nc([C@H](C)NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cs1 ZINC000328656355 1080686788 /nfs/dbraw/zinc/68/67/88/1080686788.db2.gz NTQHVMCASACWNT-OOHWJJMZSA-N 1 0 364.559 4.059 10 30 FIEERO Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)C2CC2)cc1 ZINC000330139484 1089643032 /nfs/dbraw/zinc/64/30/32/1089643032.db2.gz WHRAOJOJDNITEN-ILWGZMRPSA-N 1 0 356.510 4.030 10 30 FIEERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)s2)c(-n2cc(Cl)cn2)n1 ZINC000191531074 1102274645 /nfs/dbraw/zinc/27/46/45/1102274645.db2.gz STJQKNILQKQYLQ-LBPRGKRZSA-N 1 0 357.870 4.013 10 30 FIEERO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000328684754 1104537107 /nfs/dbraw/zinc/53/71/07/1104537107.db2.gz FFFQTSCFSAWRAM-PBHICJAKSA-N 1 0 357.498 4.419 10 30 FIEERO O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000328722412 1104533876 /nfs/dbraw/zinc/53/38/76/1104533876.db2.gz XMJXMUKZNLIHEO-FUHWJXTLSA-N 1 0 373.472 4.036 10 30 FIEERO C[N@@H+]1CCc2nc(SCc3ccco3)c(C#N)c(-c3ccccc3)c2C1 ZINC000040570075 205072665 /nfs/dbraw/zinc/07/26/65/205072665.db2.gz WFVOIQYHACQXTI-UHFFFAOYSA-N 1 0 361.470 4.493 10 30 FIEERO [NH2+]=C(Nc1ccc(Br)cc1Br)c1ccccc1 ZINC000062993778 205292849 /nfs/dbraw/zinc/29/28/49/205292849.db2.gz DDZIMLIWWCOQJV-UHFFFAOYSA-N 1 0 354.045 4.249 10 30 FIEERO C=CCC[C@@H](C[N@H+](C)Cc1cccnc1)Oc1ccc(CSC)cn1 ZINC000072431981 571053581 /nfs/dbraw/zinc/05/35/81/571053581.db2.gz BQDATFXFFQEUIU-IBGZPJMESA-N 1 0 357.523 4.185 10 30 FIEERO Cc1csc(-c2cccc(NC(=O)NC3CC[NH+](CC4CC4)CC3)c2)n1 ZINC000328698630 1081547397 /nfs/dbraw/zinc/54/73/97/1081547397.db2.gz LUTSOZKUUOZUFB-UHFFFAOYSA-N 1 0 370.522 4.319 10 30 FIEERO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328737199 1104545652 /nfs/dbraw/zinc/54/56/52/1104545652.db2.gz LPJAMCYSHHWUIR-JVJLKXRTSA-N 1 0 350.547 4.173 10 30 FIEERO COc1cccc(/C(C)=N/N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000025329325 525757082 /nfs/dbraw/zinc/75/70/82/525757082.db2.gz WNQPOFOJLLMBOG-NCELDCMTSA-N 1 0 373.500 4.390 10 30 FIEERO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@H]3CCCC[C@H]32)sc2c1CCCC2 ZINC000329147391 1086721405 /nfs/dbraw/zinc/72/14/05/1086721405.db2.gz OZELIMWGYHLNCX-SJORKVTESA-N 1 0 373.522 4.120 10 30 FIEERO CC(=O)N[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(C)cc1 ZINC000329165587 1094762789 /nfs/dbraw/zinc/76/27/89/1094762789.db2.gz HNYXKIPPFRGZAA-UYAOXDASSA-N 1 0 357.498 4.376 10 30 FIEERO Cc1cnn(CC2CC[NH+]([C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2)c1 ZINC000329201349 1094779140 /nfs/dbraw/zinc/77/91/40/1094779140.db2.gz XSHBSERCZNQCOZ-JRBPQWBISA-N 1 0 360.546 4.073 10 30 FIEERO O=C1[C@@H]([n+]2ccc3c(c2)CCCC3)CCN1c1ccc(Cl)cc1Cl ZINC000188672567 1101838294 /nfs/dbraw/zinc/83/82/94/1101838294.db2.gz TVJAEOQGPBDORA-SFHVURJKSA-N 1 0 362.280 4.138 10 30 FIEERO Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@H](n3cccn3)C2)c(Cl)c1 ZINC000328718110 1104531525 /nfs/dbraw/zinc/53/15/25/1104531525.db2.gz UWIAYHRWPSJZBD-HOTGVXAUSA-N 1 0 360.889 4.467 10 30 FIEERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2[C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000328730471 1104558043 /nfs/dbraw/zinc/55/80/43/1104558043.db2.gz HZQCTFUGAWWXAD-TWUVWWFLSA-N 1 0 356.510 4.108 10 30 FIEERO N#Cc1c(NC(=O)CC[NH2+][C@@H]2CCC[C@H]2C#N)sc2c1CCCCC2 ZINC000329370475 1086931891 /nfs/dbraw/zinc/93/18/91/1086931891.db2.gz ATCDKZWGRNVNBN-XJKSGUPXSA-N 1 0 356.495 4.149 10 30 FIEERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000329115989 1094745337 /nfs/dbraw/zinc/74/53/37/1094745337.db2.gz TTWJGRYCKFCDSF-VQIMIIECSA-N 1 0 367.497 4.139 10 30 FIEERO O=C(NC[C@@H]1C[C@H]1C1CCCCC1)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000329358295 1094859980 /nfs/dbraw/zinc/85/99/80/1094859980.db2.gz WZUPGDZRCPCILY-BVSLBCMMSA-N 1 0 370.537 4.357 10 30 FIEERO CCc1ccc(C)[n+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000188671898 1101838516 /nfs/dbraw/zinc/83/85/16/1101838516.db2.gz BBTHGJOFNIFIMC-KRWDZBQOSA-N 1 0 350.269 4.130 10 30 FIEERO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000108532023 1102487103 /nfs/dbraw/zinc/48/71/03/1102487103.db2.gz YKKYMRJFUWBTHW-MRXNPFEDSA-N 1 0 372.538 4.030 10 30 FIEERO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328737198 1104546009 /nfs/dbraw/zinc/54/60/09/1104546009.db2.gz LPJAMCYSHHWUIR-CJGGRQNCSA-N 1 0 350.547 4.173 10 30 FIEERO C=CCC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1 ZINC000036096021 518717930 /nfs/dbraw/zinc/71/79/30/518717930.db2.gz IRWVCLPQIHHDPQ-HXUWFJFHSA-N 1 0 373.468 4.172 10 30 FIEERO CC[NH+](CC)CCC(=NOC(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000004211961 520584865 /nfs/dbraw/zinc/58/48/65/520584865.db2.gz XPHBRTNHVJSEQD-ATJXCDBQSA-N 1 0 369.465 4.380 10 30 in-man FIEERO C[N+](C)(CC(=O)N(CCc1ccccc1)Cc1ccccc1)C1CCCC1 ZINC000073713002 717134887 /nfs/dbraw/zinc/13/48/87/717134887.db2.gz BEDBCFOAKAEKJM-UHFFFAOYSA-N 1 0 365.541 4.277 10 30 FIEERO CCc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccc(C#N)s3)CC2)cs1 ZINC000134927115 1080807433 /nfs/dbraw/zinc/80/74/33/1080807433.db2.gz OJNLONSLGDDUED-AWEZNQCLSA-N 1 0 374.579 4.201 10 30 FIEERO N#Cc1ccccc1Cn1cccc1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000187820636 1085715360 /nfs/dbraw/zinc/71/53/60/1085715360.db2.gz KVJKIIKFIPYAQJ-NRFANRHFSA-N 1 0 361.420 4.161 10 30 FIEERO NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C1 ZINC000329546484 1087022263 /nfs/dbraw/zinc/02/22/63/1087022263.db2.gz DKYRWEPIOWQQGC-IWQHBPENSA-N 1 0 369.509 4.339 10 30 FIEERO O=C(NC[C@@H]1C[C@H]1C1CCCCC1)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000329358298 1094859443 /nfs/dbraw/zinc/85/94/43/1094859443.db2.gz WZUPGDZRCPCILY-ILWGZMRPSA-N 1 0 370.537 4.357 10 30 FIEERO COc1ccc(C[NH2+][C@H]2CCOc3c(C)cccc32)cc1OCCCC#N ZINC000188949245 1101852315 /nfs/dbraw/zinc/85/23/15/1101852315.db2.gz DPUSWMFXTXQORS-IBGZPJMESA-N 1 0 366.461 4.300 10 30 FIEERO CCC[N@H+](CC(C)(C)CCC#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000092710074 1102524999 /nfs/dbraw/zinc/52/49/99/1102524999.db2.gz OXOAYIOHHYXUPX-UHFFFAOYSA-N 1 0 355.526 4.333 10 30 FIEERO Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC[N@@H+]1C ZINC000328920755 1104602163 /nfs/dbraw/zinc/60/21/63/1104602163.db2.gz BEZFCYPDOWTEJR-ZFORQUDYSA-N 1 0 372.557 4.366 10 30 FIEERO C[N+](C)(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C1CCCC1 ZINC000029414308 717118907 /nfs/dbraw/zinc/11/89/07/717118907.db2.gz JTGNEOMJSFWDGX-QGZVFWFLSA-N 1 0 372.514 4.038 10 30 FIEERO Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cnn1-c1ccc(Cl)cc1 ZINC000329190085 1086751578 /nfs/dbraw/zinc/75/15/78/1086751578.db2.gz RUKYNRPYRSQTNK-INIZCTEOSA-N 1 0 372.900 4.156 10 30 FIEERO CCc1nccn1[C@@H]1CCC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000329131473 1094752449 /nfs/dbraw/zinc/75/24/49/1094752449.db2.gz AFGKOOHDYVJDLD-RQJZOYDLSA-N 1 0 370.541 4.008 10 30 FIEERO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000329844082 1095290603 /nfs/dbraw/zinc/29/06/03/1095290603.db2.gz PQEGPXNBLFELOO-SJORKVTESA-N 1 0 360.502 4.079 10 30 FIEERO Cc1cc(C)c[n+](C2=C(Nc3ccccc3C)C(=O)c3ccccc3C2=O)c1 ZINC000040963400 208276164 /nfs/dbraw/zinc/27/61/64/208276164.db2.gz KTPYEDFEWUAHCM-UHFFFAOYSA-O 1 0 369.444 4.259 10 30 FIEERO C[N+](C)(CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)C1CCCC1 ZINC000029414434 717118825 /nfs/dbraw/zinc/11/88/25/717118825.db2.gz LWMBHAXICWFJRK-QFIPXVFZSA-O 1 0 351.514 4.106 10 30 FIEERO O=C(CC[C@@H]1Cc2ccccc2NC1=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329138797 1094754315 /nfs/dbraw/zinc/75/43/15/1094754315.db2.gz DXHKQRJQWJCYKQ-SJORKVTESA-N 1 0 355.482 4.201 10 30 FIEERO O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329169621 1094763171 /nfs/dbraw/zinc/76/31/71/1094763171.db2.gz JRLUHEOTIFMWNE-DYVFJYSZSA-N 1 0 359.495 4.112 10 30 FIEERO C[NH+]1CCC(C)(CNC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000329332910 1094846283 /nfs/dbraw/zinc/84/62/83/1094846283.db2.gz JYRPOBZHJCNOCX-GOSISDBHSA-N 1 0 371.525 4.059 10 30 FIEERO CCc1ccc(C)[n+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000188671875 1101838121 /nfs/dbraw/zinc/83/81/21/1101838121.db2.gz BBTHGJOFNIFIMC-QGZVFWFLSA-N 1 0 350.269 4.130 10 30 FIEERO Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@@H](n3cccn3)C2)c(Cl)c1 ZINC000328718112 1104532280 /nfs/dbraw/zinc/53/22/80/1104532280.db2.gz UWIAYHRWPSJZBD-JKSUJKDBSA-N 1 0 360.889 4.467 10 30 FIEERO O=C(CC[NH+]1CCCCC1)Nc1nnc(-c2ccccc2Cl)s1 ZINC000047155912 208372605 /nfs/dbraw/zinc/37/26/05/208372605.db2.gz YQRDXKPCZWHWCP-UHFFFAOYSA-N 1 0 350.875 4.323 10 30 FIEERO Cc1cc(NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)ccc1Br ZINC000029415134 717118889 /nfs/dbraw/zinc/11/88/89/717118889.db2.gz WCACMMZQSXQZCO-CYBMUJFWSA-O 1 0 354.312 4.104 10 30 FIEERO C[N+](C)(CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C1CCCC1 ZINC000029414806 717118975 /nfs/dbraw/zinc/11/89/75/717118975.db2.gz VJBDWILNXXUSHQ-FQEVSTJZSA-O 1 0 361.506 4.112 10 30 FIEERO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328761372 1082254649 /nfs/dbraw/zinc/25/46/49/1082254649.db2.gz XYVANGXDJYLXRU-XPSJOHQASA-N 1 0 362.558 4.483 10 30 FIEERO Cc1noc(C)c1CNC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000329701645 1087207104 /nfs/dbraw/zinc/20/71/04/1087207104.db2.gz HNSDIUGQCGQTFQ-NQIIRXRSSA-N 1 0 353.466 4.050 10 30 FIEERO Cc1cccc(C)c1NC(=O)[C@H](C)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000328951763 1104596910 /nfs/dbraw/zinc/59/69/10/1104596910.db2.gz CRPWLYHLVXQXLC-HOCLYGCPSA-N 1 0 354.454 4.030 10 30 FIEERO CCc1cccc(C)c1NC1=C([n+]2ccccc2)C(=O)c2ccccc2C1=O ZINC000040963285 208277285 /nfs/dbraw/zinc/27/72/85/208277285.db2.gz OMKJWOMLYIBLEO-UHFFFAOYSA-O 1 0 369.444 4.205 10 30 FIEERO FC(F)(F)C(F)(F)SCC[NH2+]CCSC(F)(F)C(F)(F)F ZINC000097950008 527662567 /nfs/dbraw/zinc/66/25/67/527662567.db2.gz MEGPKLXRIUUZSI-UHFFFAOYSA-N 1 0 373.281 4.353 10 30 FIEERO CC(C)c1nccn1Cc1cccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)c1 ZINC000330256803 1086319176 /nfs/dbraw/zinc/31/91/76/1086319176.db2.gz QGXNPHQLWGNAPH-MJGOQNOKSA-N 1 0 352.482 4.475 10 30 FIEERO C[C@@H]1Sc2ccc(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)cc2NC1=O ZINC000329167978 1094762463 /nfs/dbraw/zinc/76/24/63/1094762463.db2.gz IWEBOVDKLHYRSR-JSGCOSHPSA-N 1 0 359.495 4.090 10 30 FIEERO COc1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1OCCCC#N ZINC000092788914 1102532349 /nfs/dbraw/zinc/53/23/49/1102532349.db2.gz RLNZGNZYURXLHG-QGZVFWFLSA-N 1 0 371.506 4.214 10 30 FIEERO Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@H](n3cccn3)C2)c(Cl)c1 ZINC000328718109 1104531596 /nfs/dbraw/zinc/53/15/96/1104531596.db2.gz UWIAYHRWPSJZBD-CVEARBPZSA-N 1 0 360.889 4.467 10 30 FIEERO Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@@H](n3cccn3)C2)c(Cl)c1 ZINC000328718111 1104532024 /nfs/dbraw/zinc/53/20/24/1104532024.db2.gz UWIAYHRWPSJZBD-HZPDHXFCSA-N 1 0 360.889 4.467 10 30 FIEERO C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)C(=O)Nc1ccc(F)cc1Cl ZINC000328701986 1104539719 /nfs/dbraw/zinc/53/97/19/1104539719.db2.gz NPCODMLOYBBDMJ-HZMBPMFUSA-N 1 0 353.825 4.087 10 30 FIEERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2[C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000328789029 1104568037 /nfs/dbraw/zinc/56/80/37/1104568037.db2.gz KLGAFLIWQPYODW-NIJGLQITSA-N 1 0 374.500 4.247 10 30 FIEERO C[C@H](NC(=O)[C@H](C)[N+](C)(C)C1CCCC1)c1ccc(Br)cc1 ZINC000029415197 717118860 /nfs/dbraw/zinc/11/88/60/717118860.db2.gz OOPQECPSALSFMG-KBPBESRZSA-O 1 0 368.339 4.034 10 30 FIEERO COc1ccccc1C[C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000375598735 1080252118 /nfs/dbraw/zinc/25/21/18/1080252118.db2.gz QWXUABVKIKVTNL-LJQANCHMSA-N 1 0 356.510 4.050 10 30 FIEERO C[C@H](C(=O)Nc1ccccc1Cl)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329041624 1094719926 /nfs/dbraw/zinc/71/99/26/1094719926.db2.gz ONLWHJPQABDLOM-YPMHNXCESA-N 1 0 360.845 4.066 10 30 FIEERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2[C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000328730469 1104558374 /nfs/dbraw/zinc/55/83/74/1104558374.db2.gz HZQCTFUGAWWXAD-OWYHGVQQSA-N 1 0 356.510 4.108 10 30 FIEERO Cc1cccc(C)c1NC(=O)[C@@H](C)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000328951766 1104597028 /nfs/dbraw/zinc/59/70/28/1104597028.db2.gz CRPWLYHLVXQXLC-ZBFHGGJFSA-N 1 0 354.454 4.030 10 30 FIEERO C=C(Br)COc1ccc(Br)cc1C[C@H]([NH3+])CC ZINC000037725377 209326863 /nfs/dbraw/zinc/32/68/63/209326863.db2.gz GJTXVWBKQSHCJK-GFCCVEGCSA-N 1 0 363.093 4.016 10 30 FIEERO C=C(Br)COc1ccc(Br)cc1C[C@@H]([NH3+])CC ZINC000037725376 209325155 /nfs/dbraw/zinc/32/51/55/209325155.db2.gz GJTXVWBKQSHCJK-LBPRGKRZSA-N 1 0 363.093 4.016 10 30 FIEERO C[N@@H+]1CCc2nc(SCc3ccccc3)c(C#N)c(-c3ccco3)c2C1 ZINC000040569922 208257467 /nfs/dbraw/zinc/25/74/67/208257467.db2.gz QQFHRSMPBXNCEB-UHFFFAOYSA-N 1 0 361.470 4.493 10 30 FIEERO 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NNNSVOPRQNNWTH-NRFANRHFSA-N 1 0 361.420 4.161 10 30 FIEERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000328789018 1104568217 /nfs/dbraw/zinc/56/82/17/1104568217.db2.gz KLGAFLIWQPYODW-ANXJSTTESA-N 1 0 374.500 4.247 10 30 FIEERO Cc1nc(-c2ccc[n+](C)c2)sc1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000064261561 212037072 /nfs/dbraw/zinc/03/70/72/212037072.db2.gz XQYNVWCATNEHNL-YFHOEESVSA-N 1 0 355.870 4.493 10 30 FIEERO Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1F ZINC000181886845 568125114 /nfs/dbraw/zinc/12/51/14/568125114.db2.gz XNSRMEAIUAMNHF-KRWDZBQOSA-N 1 0 351.469 4.321 10 30 FIEERO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000330313256 568231711 /nfs/dbraw/zinc/23/17/11/568231711.db2.gz XBJTVGIICBNISH-MAUKXSAKSA-N 1 0 358.482 4.272 10 30 FIEERO Cc1cc(C)c(N2CC[C@H]([n+]3ccc(Cc4ccccc4)cc3)C2=O)c(C)c1 ZINC000188671608 1101839438 /nfs/dbraw/zinc/83/94/38/1101839438.db2.gz LYHAVWZGGXVHJR-QHCPKHFHSA-N 1 0 371.504 4.468 10 30 FIEERO Cc1ccc([C@H](CNC(=O)C[C@@H]2CCCCC(=O)N2)[NH+]2CCCC2)cc1 ZINC000328671487 1104529902 /nfs/dbraw/zinc/52/99/02/1104529902.db2.gz NKKRQOJLWIJISZ-OALUTQOASA-N 1 0 357.498 4.378 10 30 FIEERO C[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)C(=O)Nc1ccc(F)cc1Cl ZINC000328701989 1104540519 /nfs/dbraw/zinc/54/05/19/1104540519.db2.gz NPCODMLOYBBDMJ-YGRLFVJLSA-N 1 0 353.825 4.087 10 30 FIEERO C[NH+](C)CC1(OC(=O)c2ccccc2)CCC(C#N)(c2cccs2)CC1 ZINC000225494506 571039581 /nfs/dbraw/zinc/03/95/81/571039581.db2.gz FNUJALRQDVZHGZ-UHFFFAOYSA-N 1 0 368.502 4.241 10 30 FIEERO Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)CCC[N@@H+]1C ZINC000329086549 1094733206 /nfs/dbraw/zinc/73/32/06/1094733206.db2.gz GVMNJSVLTJRLCY-WXRGLTTHSA-N 1 0 372.557 4.366 10 30 FIEERO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000329844079 1095289622 /nfs/dbraw/zinc/28/96/22/1095289622.db2.gz PQEGPXNBLFELOO-DLBZAZTESA-N 1 0 360.502 4.079 10 30 FIEERO O=C1[C@H]([n+]2ccc3ccccc3c2)CCN1c1ccccc1C(F)(F)F 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XNWBUPBSWMBFKW-WOZUAGRISA-N 1 0 372.509 4.135 10 30 FIEERO O=C1[C@@H]([n+]2ccc3ccccc3c2)CCN1c1ccccc1C(F)(F)F ZINC000184552744 1101661358 /nfs/dbraw/zinc/66/13/58/1101661358.db2.gz AEUYHDOSMNSLCE-SFHVURJKSA-N 1 0 357.355 4.124 10 30 FIEERO Cc1cc(C)c(N2CC[C@@H]([n+]3ccc(Cc4ccccc4)cc3)C2=O)c(C)c1 ZINC000188671631 1101838412 /nfs/dbraw/zinc/83/84/12/1101838412.db2.gz LYHAVWZGGXVHJR-HSZRJFAPSA-N 1 0 371.504 4.468 10 30 FIEERO Cc1ccc(C[NH2+][C@H](C)c2ccc(C#N)s2)c(-n2cc(Cl)cn2)n1 ZINC000191531088 1102274064 /nfs/dbraw/zinc/27/40/64/1102274064.db2.gz STJQKNILQKQYLQ-GFCCVEGCSA-N 1 0 357.870 4.013 10 30 FIEERO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000108532026 1102486790 /nfs/dbraw/zinc/48/67/90/1102486790.db2.gz YKKYMRJFUWBTHW-INIZCTEOSA-N 1 0 372.538 4.030 10 30 FIEERO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000328684755 1104537595 /nfs/dbraw/zinc/53/75/95/1104537595.db2.gz FFFQTSCFSAWRAM-RHSMWYFYSA-N 1 0 357.498 4.419 10 30 FIEERO CCc1ccc(NC2=C([n+]3ccc(C)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000040963341 211766257 /nfs/dbraw/zinc/76/62/57/211766257.db2.gz SYQYVNMZCTYOCN-UHFFFAOYSA-O 1 0 369.444 4.205 10 30 FIEERO C[C@@H](NC(=O)[C@H](C)[N+](C)(C)C1CCCC1)c1ccc(Br)cc1 ZINC000029415194 717118784 /nfs/dbraw/zinc/11/87/84/717118784.db2.gz OOPQECPSALSFMG-KGLIPLIRSA-O 1 0 368.339 4.034 10 30 FIEERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCO1 ZINC000329698303 1087201599 /nfs/dbraw/zinc/20/15/99/1087201599.db2.gz YTYOHWXOWWBKFE-WWGRRREGSA-N 1 0 361.511 4.022 10 30 FIEERO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000329844081 1095290842 /nfs/dbraw/zinc/29/08/42/1095290842.db2.gz PQEGPXNBLFELOO-IRXDYDNUSA-N 1 0 360.502 4.079 10 30 FIEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000191430646 1101942051 /nfs/dbraw/zinc/94/20/51/1101942051.db2.gz JOQNBWODLPFEJZ-SFHVURJKSA-N 1 0 352.482 4.432 10 30 FIEERO CC(C)(C#N)c1ccccc1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000135107464 1102968060 /nfs/dbraw/zinc/96/80/60/1102968060.db2.gz LESKBICGUGFRCC-UHFFFAOYSA-N 1 0 367.537 4.102 10 30 FIEERO C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)C(=O)Nc1ccc(F)cc1Cl ZINC000328701987 1104540472 /nfs/dbraw/zinc/54/04/72/1104540472.db2.gz NPCODMLOYBBDMJ-IINYFYTJSA-N 1 0 353.825 4.087 10 30 FIEERO O=C1[C@@H]([n+]2ccc(Cc3ccccc3)cc2)CCCN1c1ccccc1F ZINC000160079887 1113293338 /nfs/dbraw/zinc/29/33/38/1113293338.db2.gz GWHAEZDLKOAJNJ-QFIPXVFZSA-N 1 0 361.440 4.072 10 30 FIEERO Cc1ccc(S(=O)(=O)N[S@@+](c2ccccc2)c2ccccc2C)cc1 ZINC000096300111 222113031 /nfs/dbraw/zinc/11/30/31/222113031.db2.gz OIERQZKAXYVPCQ-XMMPIXPASA-N 1 0 370.519 4.233 10 30 FIEERO C=CC[NH2+]Cc1cc(Br)c(OCCC)c(Br)c1 ZINC000020926837 518950396 /nfs/dbraw/zinc/95/03/96/518950396.db2.gz KZXOSBCZSCMAIR-UHFFFAOYSA-N 1 0 363.093 4.276 10 30 FIEERO C=CCOc1ccccc1C[N@H+](CC)Cc1cc2ccccc2n(C)c1=O ZINC000055054190 519067174 /nfs/dbraw/zinc/06/71/74/519067174.db2.gz TUTMEJIXBXQNPK-UHFFFAOYSA-N 1 0 362.473 4.125 10 30 FIEERO Cc1cscc1NC(=O)N1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1 ZINC000328636676 571163874 /nfs/dbraw/zinc/16/38/74/571163874.db2.gz OEWBBWRDENFKEE-OAHLLOKOSA-N 1 0 373.526 4.030 10 30 FIEERO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cnn1-c1cccc(Cl)c1 ZINC000329169197 1086739929 /nfs/dbraw/zinc/73/99/29/1086739929.db2.gz JMBIJWBLZKHPRV-MRXNPFEDSA-N 1 0 372.900 4.156 10 30 FIEERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000328759677 1104552453 /nfs/dbraw/zinc/55/24/53/1104552453.db2.gz WOOISMDFHPGWHJ-DSTKQXLTSA-N 1 0 370.537 4.282 10 30 FIEERO C=CCC(O)(CC=C)c1ccc(CN(Cc2ccco2)C[C@H]2CCCO2)o1 ZINC000036157233 210171009 /nfs/dbraw/zinc/17/10/09/210171009.db2.gz JTNDWHFWDVRNDI-LJQANCHMSA-N 1 0 371.477 4.394 10 30 FIEERO C[NH+](C)CCNc1cc(-c2ccc(F)cc2)c(C#N)c2nc3ccccc3n21 ZINC000072108616 221405953 /nfs/dbraw/zinc/40/59/53/221405953.db2.gz AFJHKIIBTSRTTA-UHFFFAOYSA-N 1 0 373.435 4.139 10 30 FIEERO C[N+](C)(CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C1CCCC1 ZINC000029414311 717118878 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C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000329698302 1087201345 /nfs/dbraw/zinc/20/13/45/1087201345.db2.gz YTYOHWXOWWBKFE-HEHGZKQESA-N 1 0 361.511 4.022 10 30 FIEERO Cc1cc(Cl)cnc1NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000329627755 1095018176 /nfs/dbraw/zinc/01/81/76/1095018176.db2.gz PLJGZLJQVPLWKQ-UHFFFAOYSA-N 1 0 364.921 4.412 10 30 FIEERO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000328684756 1104537817 /nfs/dbraw/zinc/53/78/17/1104537817.db2.gz FFFQTSCFSAWRAM-WMLDXEAASA-N 1 0 357.498 4.419 10 30 FIEERO Cc1cc[n+](C2=C(Nc3c(C)cccc3C)C(=O)c3ccccc3C2=O)cc1 ZINC000001613767 219412790 /nfs/dbraw/zinc/41/27/90/219412790.db2.gz QRSJKNHVLRXKJK-UHFFFAOYSA-O 1 0 369.444 4.259 10 30 FIEERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000329698304 1087201733 /nfs/dbraw/zinc/20/17/33/1087201733.db2.gz YTYOHWXOWWBKFE-XEZPLFJOSA-N 1 0 361.511 4.022 10 30 FIEERO CC1CCC([NH+]2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000115755511 1090262943 /nfs/dbraw/zinc/26/29/43/1090262943.db2.gz SNQXMIDJYPSEOM-UHFFFAOYSA-N 1 0 368.525 4.216 10 30 FIEERO O=C1[C@H]([n+]2ccc(Cc3ccccc3)cc2)CCCN1c1ccccc1F ZINC000160079783 1113293510 /nfs/dbraw/zinc/29/35/10/1113293510.db2.gz GWHAEZDLKOAJNJ-JOCHJYFZSA-N 1 0 361.440 4.072 10 30 FIEERO C=CCC[C@H](C[N@H+](C)Cc1cccnc1)Oc1ccc(CSC)cn1 ZINC000072431980 571053824 /nfs/dbraw/zinc/05/38/24/571053824.db2.gz BQDATFXFFQEUIU-LJQANCHMSA-N 1 0 357.523 4.185 10 30 FIEERO C=CC[NH2+]Cc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000010474997 571115475 /nfs/dbraw/zinc/11/54/75/571115475.db2.gz BLJBLAYEBZXOKS-UHFFFAOYSA-N 1 0 362.267 4.312 10 30 FIEERO N#Cc1ccccc1Cn1cccc1C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000187820615 1085714214 /nfs/dbraw/zinc/71/42/14/1085714214.db2.gz KVJKIIKFIPYAQJ-OAQYLSRUSA-N 1 0 361.420 4.161 10 30 FIEERO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)sc2c1CCCC2 ZINC000329147390 1086720523 /nfs/dbraw/zinc/72/05/23/1086720523.db2.gz OZELIMWGYHLNCX-IAGOWNOFSA-N 1 0 373.522 4.120 10 30 FIEERO C[C@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000329454819 1086970067 /nfs/dbraw/zinc/97/00/67/1086970067.db2.gz OBDZMPMYCBPASY-CZZMKVDGSA-N 1 0 369.509 4.466 10 30 FIEERO C[C@@H](C(=O)Nc1ccccc1Cl)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329041619 1094721298 /nfs/dbraw/zinc/72/12/98/1094721298.db2.gz ONLWHJPQABDLOM-AAEUAGOBSA-N 1 0 360.845 4.066 10 30 FIEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000191430632 1101942221 /nfs/dbraw/zinc/94/22/21/1101942221.db2.gz JOQNBWODLPFEJZ-GOSISDBHSA-N 1 0 352.482 4.432 10 30 FIEERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000328759678 1104552569 /nfs/dbraw/zinc/55/25/69/1104552569.db2.gz WOOISMDFHPGWHJ-RESYIPQXSA-N 1 0 370.537 4.282 10 30 FIEERO C[C@H](C(=O)N[C@@H](C)c1ccc(Br)cc1)[N+](C)(C)C1CCCC1 ZINC000029415191 717119062 /nfs/dbraw/zinc/11/90/62/717119062.db2.gz OOPQECPSALSFMG-UONOGXRCSA-O 1 0 368.339 4.034 10 30 FIEERO Cc1nc([C@@H](C)NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cs1 ZINC000328656354 1080686612 /nfs/dbraw/zinc/68/66/12/1080686612.db2.gz NTQHVMCASACWNT-ODIFPOPNSA-N 1 0 364.559 4.059 10 30 FIEERO CC(C)c1nccn1Cc1cccc(NC(=O)N2CC[C@H]3CCC[C@H]32)c1 ZINC000330256802 1086320121 /nfs/dbraw/zinc/32/01/21/1086320121.db2.gz QGXNPHQLWGNAPH-IEBWSBKVSA-N 1 0 352.482 4.475 10 30 FIEERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCO1 ZINC000329698301 1087201035 /nfs/dbraw/zinc/20/10/35/1087201035.db2.gz YTYOHWXOWWBKFE-DVOMOZLQSA-N 1 0 361.511 4.022 10 30 FIEERO CC[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000329913645 1095313486 /nfs/dbraw/zinc/31/34/86/1095313486.db2.gz XNWBUPBSWMBFKW-JSXRDJHFSA-N 1 0 372.509 4.135 10 30 FIEERO COc1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1OCCCC#N ZINC000092788913 1102532414 /nfs/dbraw/zinc/53/24/14/1102532414.db2.gz RLNZGNZYURXLHG-KRWDZBQOSA-N 1 0 371.506 4.214 10 30 FIEERO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000328684757 1104537273 /nfs/dbraw/zinc/53/72/73/1104537273.db2.gz FFFQTSCFSAWRAM-YOEHRIQHSA-N 1 0 357.498 4.419 10 30 FIEERO COc1ccc(C(C)=O)cc1C[P+](CCC#N)(CCC#N)CCC#N ZINC000004277437 219560805 /nfs/dbraw/zinc/56/08/05/219560805.db2.gz KWJRTMXXYRQQIL-UHFFFAOYSA-N 1 0 356.386 4.156 10 30 FIEERO Cc1cscc1NC(=O)N1CCC[C@H](Nc2ccc(N(C)C)nc2)CC1 ZINC000328636675 571163961 /nfs/dbraw/zinc/16/39/61/571163961.db2.gz OEWBBWRDENFKEE-HNNXBMFYSA-N 1 0 373.526 4.030 10 30 FIEERO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328761371 1082254890 /nfs/dbraw/zinc/25/48/90/1082254890.db2.gz XYVANGXDJYLXRU-DIZVHYTASA-N 1 0 362.558 4.483 10 30 FIEERO C[C@@H](C(=O)Nc1ccccc1Cl)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329041622 1094720818 /nfs/dbraw/zinc/72/08/18/1094720818.db2.gz ONLWHJPQABDLOM-WCQYABFASA-N 1 0 360.845 4.066 10 30 FIEERO C[C@@H]1Sc2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)cc2NC1=O ZINC000329167976 1094762846 /nfs/dbraw/zinc/76/28/46/1094762846.db2.gz IWEBOVDKLHYRSR-GXTWGEPZSA-N 1 0 359.495 4.090 10 30 FIEERO C[C@H](NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccc2c(c1)CCCC2 ZINC000328902740 1104583151 /nfs/dbraw/zinc/58/31/51/1104583151.db2.gz GYMQZTKWKJIDEM-BANJIEJESA-N 1 0 369.509 4.070 10 30 FIEERO C[C@@H](NC(=O)[C@@H](C)[N+](C)(C)C1CCCC1)c1ccc(Br)cc1 ZINC000029415188 717119048 /nfs/dbraw/zinc/11/90/48/717119048.db2.gz OOPQECPSALSFMG-ZIAGYGMSSA-O 1 0 368.339 4.034 10 30 FIEERO C[N+](C)(C1CCCC1)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000182700477 717157526 /nfs/dbraw/zinc/15/75/26/717157526.db2.gz CUIPIWPPFAKFDM-SFHVURJKSA-N 1 0 369.451 4.215 10 30 FIEERO O=C(N[C@@H]1CCCc2c[nH]nc21)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000328608021 1080660597 /nfs/dbraw/zinc/66/05/97/1080660597.db2.gz LQLABDQQLYYHEN-KNKQGSTJSA-N 1 0 364.493 4.046 10 30 FIEERO CCc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc(C#N)s3)CC2)cs1 ZINC000134927135 1080804674 /nfs/dbraw/zinc/80/46/74/1080804674.db2.gz OJNLONSLGDDUED-CQSZACIVSA-N 1 0 374.579 4.201 10 30 FIEERO Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cnn1-c1cccc(Cl)c1 ZINC000329169195 1086739889 /nfs/dbraw/zinc/73/98/89/1086739889.db2.gz JMBIJWBLZKHPRV-INIZCTEOSA-N 1 0 372.900 4.156 10 30 FIEERO C[C@H](C(=O)Nc1ccccc1Cl)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329041621 1094721340 /nfs/dbraw/zinc/72/13/40/1094721340.db2.gz ONLWHJPQABDLOM-DGCLKSJQSA-N 1 0 360.845 4.066 10 30 FIEERO O=C1[C@H]([n+]2ccc3ccccc3c2)CCN1c1ccc(Cl)cc1Cl ZINC000188669775 1101838769 /nfs/dbraw/zinc/83/87/69/1101838769.db2.gz CMJRYONNGUJFQR-GOSISDBHSA-N 1 0 358.248 4.412 10 30 FIEERO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000328774787 1104556470 /nfs/dbraw/zinc/55/64/70/1104556470.db2.gz HTWQDGNIXWOKMC-WQZMAELXSA-N 1 0 374.569 4.173 10 30 FIEERO Cc1ccc([C@H](CNC(=O)C[C@@H]2CCCCNC2=O)[NH+]2CCCC2)cc1 ZINC000328785766 1104568113 /nfs/dbraw/zinc/56/81/13/1104568113.db2.gz OJTFWZUXPHUMCA-OALUTQOASA-N 1 0 357.498 4.235 10 30 FIEERO CC(C)(C)c1ccc(OCC(=O)ONC(=[NH2+])Cc2ccc(Cl)cc2)cc1 ZINC000005481580 519039345 /nfs/dbraw/zinc/03/93/45/519039345.db2.gz RGBJUCQUBGIXKJ-UHFFFAOYSA-N 1 0 374.868 4.074 10 30 FIEERO Cc1cccc(C)c1NC(=O)C[n+]1cn(Cc2ccccc2)c2ccccc21 ZINC000048546080 571308932 /nfs/dbraw/zinc/30/89/32/571308932.db2.gz ZXPKDTWDGUTHIH-UHFFFAOYSA-O 1 0 370.476 4.233 10 30 FIEERO C[N+](C)(CC(=O)NCCC(c1ccccc1)c1ccccc1)C1CCCC1 ZINC000029413729 717118294 /nfs/dbraw/zinc/11/82/94/717118294.db2.gz JKPONQVUUHGKRJ-UHFFFAOYSA-O 1 0 365.541 4.344 10 30 FIEERO C[N+](C)(CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)C1CCCC1 ZINC000029414437 717118773 /nfs/dbraw/zinc/11/87/73/717118773.db2.gz LWMBHAXICWFJRK-JOCHJYFZSA-O 1 0 351.514 4.106 10 30 FIEERO Cc1cc(NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)ccc1Br ZINC000029415131 717118791 /nfs/dbraw/zinc/11/87/91/717118791.db2.gz WCACMMZQSXQZCO-ZDUSSCGKSA-O 1 0 354.312 4.104 10 30 FIEERO Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CCC[N@@H+]1C ZINC000329086548 1094732801 /nfs/dbraw/zinc/73/28/01/1094732801.db2.gz GVMNJSVLTJRLCY-VDRZXAFZSA-N 1 0 372.557 4.366 10 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