smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)N(CCCc2ccccc2)CCN(C)C)ccc1[N+](=O)[O-] ZINC000063485864 205292827 /nfs/dbraw/zinc/29/28/27/205292827.db2.gz NGAPRZOIFADHKF-UHFFFAOYSA-N 0 3 369.465 3.540 50 5 FHBAHN Cc1ccc([C@@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000058157554 206391632 /nfs/dbraw/zinc/39/16/32/206391632.db2.gz UWXXGAONSUVOSY-GOSISDBHSA-N 0 3 356.426 3.636 50 5 FHBAHN C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCCC1 ZINC000012800357 571322718 /nfs/dbraw/zinc/32/27/18/571322718.db2.gz JOLCDQWXSMQKRF-BEFAXECRSA-N 0 3 368.437 3.942 50 5 FHBAHN COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)N(C)C)c1 ZINC000012554772 571180771 /nfs/dbraw/zinc/18/07/71/571180771.db2.gz DCLUAQSLBUAWRF-FQEVSTJZSA-N 0 3 366.421 3.866 50 5 FHBAHN O=[N+]([O-])c1cccc(/C=C/C2=CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000004007020 571353916 /nfs/dbraw/zinc/35/39/16/571353916.db2.gz YRHJMYLPJDJXMF-GLCJEOIMSA-N 0 3 350.418 3.974 50 5 FHBAHN Cc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1[N+](=O)[O-] ZINC000010280839 204008729 /nfs/dbraw/zinc/00/87/29/204008729.db2.gz FEDNGXHMUMXBLB-UHFFFAOYSA-N 0 3 367.449 3.819 50 5 FHBAHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCCC1 ZINC000003242112 204084886 /nfs/dbraw/zinc/08/48/86/204084886.db2.gz NGNWVTFSIVBMEL-SUMWQHHRSA-N 0 3 359.451 3.612 50 5 FHBAHN COc1cc(C(=O)CCN2CC[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000004122127 204122292 /nfs/dbraw/zinc/12/22/92/204122292.db2.gz VDDIPDGXPRLPQT-KRWDZBQOSA-N 0 3 354.406 3.666 50 5 FHBAHN COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)N(C)C)c1 ZINC000024058274 570548970 /nfs/dbraw/zinc/54/89/70/570548970.db2.gz GRCOLDMGDDLNQE-LJQANCHMSA-N 0 3 366.421 3.866 50 5 FHBAHN Cc1cc(C)c([C@H](C)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)c1 ZINC000040158350 571088686 /nfs/dbraw/zinc/08/86/86/571088686.db2.gz QIZMTYSBASTZEV-KRWDZBQOSA-N 0 3 354.454 3.798 50 5 FHBAHN CN(C)CCN(CC1CCCCC1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000097257175 571232049 /nfs/dbraw/zinc/23/20/49/571232049.db2.gz LFAWQTRMVYYRHK-QXMHVHEDSA-N 0 3 359.470 3.579 50 5 FHBAHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000004986150 204182712 /nfs/dbraw/zinc/18/27/12/204182712.db2.gz CVVYRZATVIOPIP-CQSZACIVSA-N 0 3 358.394 3.630 50 5 FHBAHN C[C@H]1CN(C)CC[C@H]1N(C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000241644469 524563795 /nfs/dbraw/zinc/56/37/95/524563795.db2.gz PRAVEMPIGJILRJ-MAUKXSAKSA-N 0 3 367.449 3.602 50 5 FHBAHN O=[N+]([O-])c1ccc(N2CCNCC2)cc1Sc1cccc2cccnc21 ZINC000004543611 570822366 /nfs/dbraw/zinc/82/23/66/570822366.db2.gz VWXKGDSFQKTRHI-UHFFFAOYSA-N 0 3 366.446 3.704 50 5 FHBAHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000075105835 571154983 /nfs/dbraw/zinc/15/49/83/571154983.db2.gz PRAVEMPIGJILRJ-YJBOKZPZSA-N 0 3 367.449 3.602 50 5 FHBAHN Cc1cc(C)c([C@@H](C)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)c1 ZINC000040158349 571088522 /nfs/dbraw/zinc/08/85/22/571088522.db2.gz QIZMTYSBASTZEV-QGZVFWFLSA-N 0 3 354.454 3.798 50 5 FHBAHN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H](c1cccs1)N1CCCC1 ZINC000003224704 204082907 /nfs/dbraw/zinc/08/29/07/204082907.db2.gz MQWQYQWCYUSRKW-SUMWQHHRSA-N 0 3 359.451 3.612 50 5 FHBAHN COc1ccc([C@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)cc1OC ZINC000036396723 204377087 /nfs/dbraw/zinc/37/70/87/204377087.db2.gz NYPTXIXDIJWQID-GOSISDBHSA-N 0 3 372.421 3.828 50 5 FHBAHN O=[N+]([O-])c1cccc(/C=C/C2=CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000000755519 568145847 /nfs/dbraw/zinc/14/58/47/568145847.db2.gz YRHJMYLPJDJXMF-LCCNJJIFSA-N 0 3 350.418 3.974 50 5 FHBAHN CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1/C=C/CN1CCCCC1 ZINC000034573006 570856388 /nfs/dbraw/zinc/85/63/88/570856388.db2.gz YBQCRMWFJFELSV-WLRTZDKTSA-N 0 3 359.455 3.532 50 5 FHBAHN C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCCC1 ZINC000012800349 571322727 /nfs/dbraw/zinc/32/27/27/571322727.db2.gz JOLCDQWXSMQKRF-HNAYVOBHSA-N 0 3 368.437 3.942 50 5 FHBAHN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H](c1cccs1)N1CCCC1 ZINC000003224702 204083206 /nfs/dbraw/zinc/08/32/06/204083206.db2.gz MQWQYQWCYUSRKW-GUYCJALGSA-N 0 3 359.451 3.612 50 5 FHBAHN CCN1CCC[C@@H](CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000058050982 205248725 /nfs/dbraw/zinc/24/87/25/205248725.db2.gz SMNAQQYTIWKMEQ-INIZCTEOSA-N 0 3 367.449 3.970 50 5 FHBAHN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(CN2CCCCC2)cc1 ZINC000004993513 207069583 /nfs/dbraw/zinc/06/95/83/207069583.db2.gz PETYAVJHPJMMDK-UHFFFAOYSA-N 0 3 369.421 3.598 50 5 FHBAHN O=C(NCc1ccccc1CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000010281373 207298402 /nfs/dbraw/zinc/29/84/02/207298402.db2.gz YIEYUOONLTUZQB-UHFFFAOYSA-N 0 3 353.422 3.511 50 5 FHBAHN O=[N+]([O-])c1c2cccnc2ccc1N1CCCN(Cc2cccs2)CC1 ZINC000040153614 208237177 /nfs/dbraw/zinc/23/71/77/208237177.db2.gz PBVLXDNQYJTDAE-UHFFFAOYSA-N 0 3 368.462 3.917 50 5 FHBAHN CC(C)c1ccc(CN(CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)cc1 ZINC000084625112 571093356 /nfs/dbraw/zinc/09/33/56/571093356.db2.gz PFIJDWJRNSYWRD-UHFFFAOYSA-N 0 3 355.438 3.545 50 5 FHBAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000012793253 571322752 /nfs/dbraw/zinc/32/27/52/571322752.db2.gz RUROBHVXVYVHBR-HNNXBMFYSA-N 0 3 360.439 3.615 50 5 FHBAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000012979961 571322943 /nfs/dbraw/zinc/32/29/43/571322943.db2.gz GMLYCKIQBBWGLR-GOSISDBHSA-N 0 3 354.410 3.553 50 5 FHBAHN COc1ccc([C@@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)cc1OC ZINC000036396722 207281196 /nfs/dbraw/zinc/28/11/96/207281196.db2.gz NYPTXIXDIJWQID-SFHVURJKSA-N 0 3 372.421 3.828 50 5 FHBAHN CN(C)Cc1ccccc1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000009917289 207289954 /nfs/dbraw/zinc/28/99/54/207289954.db2.gz MXUDGYHVYMMKLW-UHFFFAOYSA-N 0 3 369.446 3.801 50 5 FHBAHN CCN(CC)[C@@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000032902448 570838643 /nfs/dbraw/zinc/83/86/43/570838643.db2.gz HIEWJUYUOSAYDQ-AIGDTVQASA-N 0 3 367.449 3.807 50 5 FHBAHN COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)N(C)C)c1 ZINC000012554770 207391012 /nfs/dbraw/zinc/39/10/12/207391012.db2.gz DCLUAQSLBUAWRF-HXUWFJFHSA-N 0 3 366.421 3.866 50 5 FHBAHN COC(=O)CC[C@H](Cc1ccccc1)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000095997170 209094564 /nfs/dbraw/zinc/09/45/64/209094564.db2.gz NSMVDZRZEBPNSF-GOSISDBHSA-N 0 3 356.422 3.557 50 5 FHBAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000007686649 207202176 /nfs/dbraw/zinc/20/21/76/207202176.db2.gz XSPRVSVQVIPCHP-GOSISDBHSA-N 0 3 373.840 3.815 50 5 FHBAHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000017075566 571274865 /nfs/dbraw/zinc/27/48/65/571274865.db2.gz UMFFFQSLGKUOPS-UHFFFAOYSA-N 0 3 368.437 3.689 50 5 FHBAHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCCC1 ZINC000003242113 571346003 /nfs/dbraw/zinc/34/60/03/571346003.db2.gz NGNWVTFSIVBMEL-CXAGYDPISA-N 0 3 359.451 3.612 50 5 FHBAHN O=[N+]([O-])c1cccc(OCCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000004833023 207053026 /nfs/dbraw/zinc/05/30/26/207053026.db2.gz YNAYTMKNGKUXGB-UHFFFAOYSA-N 0 3 369.465 3.572 50 5 FHBAHN O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@H](c1cccs1)N1CCCC1 ZINC000096943769 932561246 /nfs/dbraw/zinc/56/12/46/932561246.db2.gz XFTIHQQSQQWCPE-DOOKAGJSSA-N 0 3 371.462 3.623 50 5 FHBAHN CN(C)CC(C)(C)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000008178212 207222675 /nfs/dbraw/zinc/22/26/75/207222675.db2.gz DRNOFAFBTRXXGH-UHFFFAOYSA-N 0 3 355.438 3.826 50 5 FHBAHN Cc1cccc(C(=O)NCc2ccccc2CN2CCCCC2)c1[N+](=O)[O-] ZINC000010280582 207298425 /nfs/dbraw/zinc/29/84/25/207298425.db2.gz GVMABWYGVIUMRB-UHFFFAOYSA-N 0 3 367.449 3.819 50 5 FHBAHN COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)N(C)C)c1 ZINC000024058276 570549271 /nfs/dbraw/zinc/54/92/71/570549271.db2.gz GRCOLDMGDDLNQE-IBGZPJMESA-N 0 3 366.421 3.866 50 5 FHBAHN CN1CCCN(c2nc(C(F)(F)F)nc3ccc4ccccc4c32)CC1 ZINC000241371238 571109990 /nfs/dbraw/zinc/10/99/90/571109990.db2.gz MLMDUSBZYXNXPW-UHFFFAOYSA-N 0 3 360.383 3.944 50 5 FHBAHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCCC1 ZINC000003242110 571346017 /nfs/dbraw/zinc/34/60/17/571346017.db2.gz NGNWVTFSIVBMEL-GUYCJALGSA-N 0 3 359.451 3.612 50 5 FHBAHN O=[N+]([O-])c1ccc(CN2CCC(c3cc(-c4ccco4)n[nH]3)CC2)cc1 ZINC000005626278 207109064 /nfs/dbraw/zinc/10/90/64/207109064.db2.gz CFCVBBJADQECQD-UHFFFAOYSA-N 0 3 352.394 3.958 50 5 FHBAHN COC(=O)CC[C@@H](Cc1ccccc1)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000095997169 209094756 /nfs/dbraw/zinc/09/47/56/209094756.db2.gz NSMVDZRZEBPNSF-SFHVURJKSA-N 0 3 356.422 3.557 50 5 FHBAHN C[C@H](CCNCc1ccc([N+](=O)[O-])c(Cl)c1)N(C)C(=O)OC(C)(C)C ZINC000095940912 209087366 /nfs/dbraw/zinc/08/73/66/209087366.db2.gz BVIOMUVJWPEUKZ-GFCCVEGCSA-N 0 3 371.865 3.983 50 5 FHBAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000022474508 571336912 /nfs/dbraw/zinc/33/69/12/571336912.db2.gz QMVCCKQLVDCXDO-HNNXBMFYSA-N 0 3 360.439 3.615 50 5 FHBAHN COc1ccc(CCNCc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000058139228 571348540 /nfs/dbraw/zinc/34/85/40/571348540.db2.gz IILGXNATOWUUEA-UHFFFAOYSA-N 0 3 350.802 3.598 50 5 FHBAHN CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 ZINC000003830916 571352638 /nfs/dbraw/zinc/35/26/38/571352638.db2.gz MFZWMTSUNYWVBU-UHFFFAOYSA-N 0 3 356.491 3.661 50 5 world FHBAHN Cc1c(C(=O)NCc2ccccc2CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000010281758 571125012 /nfs/dbraw/zinc/12/50/12/571125012.db2.gz XEXJYHYHHZACRG-UHFFFAOYSA-N 0 3 367.449 3.819 50 5 FHBAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000036389751 571252442 /nfs/dbraw/zinc/25/24/42/571252442.db2.gz VYYBAEJENLPVFA-MJGOQNOKSA-N 0 3 366.421 3.743 50 5 FHBAHN O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000022474506 220386980 /nfs/dbraw/zinc/38/69/80/220386980.db2.gz QMVCCKQLVDCXDO-OAHLLOKOSA-N 0 3 360.439 3.615 50 5 FHBAHN CN(C)CCN(CC1CCCCC1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000048311096 570943898 /nfs/dbraw/zinc/94/38/98/570943898.db2.gz LFAWQTRMVYYRHK-VAWYXSNFSA-N 0 3 359.470 3.579 50 5 FHBAHN CCN1CCC[C@H](CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000058050978 571347405 /nfs/dbraw/zinc/34/74/05/571347405.db2.gz SMNAQQYTIWKMEQ-MRXNPFEDSA-N 0 3 367.449 3.970 50 5 FHBAHN Cc1sc(C(=O)Nc2ccccc2NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000058412327 212009735 /nfs/dbraw/zinc/00/97/35/212009735.db2.gz OMVGBAUXIHRYTI-UHFFFAOYSA-N 0 3 374.466 3.723 50 5 FHBAHN O=[N+]([O-])c1cc2c(cc1CNCCc1ccc(Cl)cc1Cl)OCO2 ZINC000019642803 211243402 /nfs/dbraw/zinc/24/34/02/211243402.db2.gz XCUSOQJFTCJZLA-UHFFFAOYSA-N 0 3 369.204 3.963 50 5 FHBAHN CC(C)(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccccc1 ZINC000000753780 219318136 /nfs/dbraw/zinc/31/81/36/219318136.db2.gz FMEUATDWKJMGPJ-SFHVURJKSA-N 0 3 358.438 3.635 50 5 FHBAHN Cc1c(C(=O)N2CCCN(CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000059887178 212018965 /nfs/dbraw/zinc/01/89/65/212018965.db2.gz QWIFUSHWUAYZNV-UHFFFAOYSA-N 0 3 359.470 3.631 50 5 FHBAHN COc1cc(CNCCc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000019720969 211252121 /nfs/dbraw/zinc/25/21/21/211252121.db2.gz GUDUWOPYOORIGV-UHFFFAOYSA-N 0 3 350.802 3.598 50 5 FHBAHN CCOC(=O)[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000004986156 570571433 /nfs/dbraw/zinc/57/14/33/570571433.db2.gz CVVYRZATVIOPIP-AWEZNQCLSA-N 0 3 358.394 3.630 50 5 FHBAHN O=[N+]([O-])c1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000004999102 570573251 /nfs/dbraw/zinc/57/32/51/570573251.db2.gz REVBLPLNPVYIBU-UHFFFAOYSA-N 0 3 370.478 3.546 50 5 FHBAHN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000004054419 571354493 /nfs/dbraw/zinc/35/44/93/571354493.db2.gz ATECHEQIQHWYGZ-UHFFFAOYSA-N 0 3 356.382 3.580 50 5 FHBAHN COc1cc(C(=O)CCN2CC[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000004122128 571355822 /nfs/dbraw/zinc/35/58/22/571355822.db2.gz VDDIPDGXPRLPQT-QGZVFWFLSA-N 0 3 354.406 3.666 50 5 FHBAHN Cc1ccccc1CN1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000032912706 570852532 /nfs/dbraw/zinc/85/25/32/570852532.db2.gz AVJULIHUGJERBS-UHFFFAOYSA-N 0 3 368.437 3.643 50 5 FHBAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000252444225 526213094 /nfs/dbraw/zinc/21/30/94/526213094.db2.gz VYYBAEJENLPVFA-IEBWSBKVSA-N 0 3 366.421 3.743 50 5 FHBAHN COc1ccc(-n2c3nc4ccccc4nc3c3c2nc(C)oc3=N)cc1 ZINC000004656761 571155175 /nfs/dbraw/zinc/15/51/75/571155175.db2.gz KTCLNXMGRDGQLU-UHFFFAOYSA-N 0 3 357.373 3.511 50 5 FHBAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014094557 211073295 /nfs/dbraw/zinc/07/32/95/211073295.db2.gz VYYBAEJENLPVFA-PKOBYXMFSA-N 0 3 366.421 3.743 50 5 FHBAHN COc1ccc(CCN(C)C/C=C/c2ccccc2[N+](=O)[O-])cc1OC ZINC000001226408 210337367 /nfs/dbraw/zinc/33/73/67/210337367.db2.gz NGGVSRYVZQZRCT-SOFGYWHQSA-N 0 3 356.422 3.800 50 5 FHBAHN O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000003336458 571347652 /nfs/dbraw/zinc/34/76/52/571347652.db2.gz LGNBOBAWYFIJDQ-UHFFFAOYSA-N 0 3 351.472 3.575 50 5 FHBAHN CCN(CC)[C@@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000031097291 571350793 /nfs/dbraw/zinc/35/07/93/571350793.db2.gz KBUJWCVMYMSYAB-INIZCTEOSA-N 0 3 362.455 3.861 50 5 FHBAHN O=C(NCc1ccccc1CN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000010281355 571124609 /nfs/dbraw/zinc/12/46/09/571124609.db2.gz KCBUZAXTPWKSKP-UHFFFAOYSA-N 0 3 353.422 3.511 50 5 FHBAHN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H](c1cccs1)N1CCCC1 ZINC000003224703 571345654 /nfs/dbraw/zinc/34/56/54/571345654.db2.gz MQWQYQWCYUSRKW-DYVFJYSZSA-N 0 3 359.451 3.612 50 5 FHBAHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCCC1 ZINC000003242111 571346026 /nfs/dbraw/zinc/34/60/26/571346026.db2.gz NGNWVTFSIVBMEL-DYVFJYSZSA-N 0 3 359.451 3.612 50 5 FHBAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000012979963 220048643 /nfs/dbraw/zinc/04/86/43/220048643.db2.gz GMLYCKIQBBWGLR-SFHVURJKSA-N 0 3 354.410 3.553 50 5 FHBAHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000075105834 571154994 /nfs/dbraw/zinc/15/49/94/571154994.db2.gz PRAVEMPIGJILRJ-QAPCUYQASA-N 0 3 367.449 3.602 50 5 FHBAHN CCCN(CCC)CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 ZINC000006323814 571180601 /nfs/dbraw/zinc/18/06/01/571180601.db2.gz YZNAYLKNCCKTJV-UHFFFAOYSA-N 0 3 367.449 3.710 50 5 FHBAHN Cc1cccc(CN2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)c1 ZINC000012594949 571187931 /nfs/dbraw/zinc/18/79/31/571187931.db2.gz IXQOKRRVUYXBMM-UHFFFAOYSA-N 0 3 362.433 3.774 50 5 FHBAHN CCN(CC)[C@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000031097293 571350800 /nfs/dbraw/zinc/35/08/00/571350800.db2.gz KBUJWCVMYMSYAB-MRXNPFEDSA-N 0 3 362.455 3.861 50 5 FHBAHN O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000012793250 220030562 /nfs/dbraw/zinc/03/05/62/220030562.db2.gz RUROBHVXVYVHBR-OAHLLOKOSA-N 0 3 360.439 3.615 50 5 FHBAHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000107072096 222390966 /nfs/dbraw/zinc/39/09/66/222390966.db2.gz PRAVEMPIGJILRJ-CRAIPNDOSA-N 0 3 367.449 3.602 50 5 FHBAHN Cc1ccc([C@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000058157555 221099285 /nfs/dbraw/zinc/09/92/85/221099285.db2.gz UWXXGAONSUVOSY-SFHVURJKSA-N 0 3 356.426 3.636 50 5 FHBAHN CCc1ccc([C@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000029931151 571344450 /nfs/dbraw/zinc/34/44/50/571344450.db2.gz ABGSDHZWWDZFGC-AIGDTVQASA-N 0 3 367.449 3.590 50 5 FHBAHN C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCCC1 ZINC000012800366 220031228 /nfs/dbraw/zinc/03/12/28/220031228.db2.gz JOLCDQWXSMQKRF-KXBFYZLASA-N 0 3 368.437 3.942 50 5 FHBAHN Cc1nc(-c2cccc3c(=O)c4ccccc4[nH]c23)n(-c2ccnc(C)c2)n1 ZINC000067973997 221310625 /nfs/dbraw/zinc/31/06/25/221310625.db2.gz CDXLHTQYLOAXQQ-UHFFFAOYSA-N 0 3 367.412 3.941 50 5 FHBAHN CN(C)Cc1ccc(-c2ccccc2CNc2c([N+](=O)[O-])ncn2C)cc1 ZINC000024208845 570624659 /nfs/dbraw/zinc/62/46/59/570624659.db2.gz ZGXZTHGAJHIPGM-UHFFFAOYSA-N 0 3 365.437 3.669 50 5 FHBAHN C[C@@H](CCNCc1ccc([N+](=O)[O-])c(Cl)c1)N(C)C(=O)OC(C)(C)C ZINC000095940911 571332333 /nfs/dbraw/zinc/33/23/33/571332333.db2.gz BVIOMUVJWPEUKZ-LBPRGKRZSA-N 0 3 371.865 3.983 50 5 FHBAHN Cc1ccccc1CN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000029871576 571343664 /nfs/dbraw/zinc/34/36/64/571343664.db2.gz XCUSHSOMKQQCPT-UHFFFAOYSA-N 0 3 362.433 3.774 50 5 FHBAHN CC(C)(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccccc1 ZINC000000753782 219318414 /nfs/dbraw/zinc/31/84/14/219318414.db2.gz FMEUATDWKJMGPJ-GOSISDBHSA-N 0 3 358.438 3.635 50 5 FHBAHN C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCCC1 ZINC000012800338 220031118 /nfs/dbraw/zinc/03/11/18/220031118.db2.gz JOLCDQWXSMQKRF-DNVCBOLYSA-N 0 3 368.437 3.942 50 5 FHBAHN CCN(CC)[C@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000032902449 570838681 /nfs/dbraw/zinc/83/86/81/570838681.db2.gz HIEWJUYUOSAYDQ-FBRRREGBSA-N 0 3 367.449 3.807 50 5 FHBAHN CCN(CC)[C@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000032902447 570838746 /nfs/dbraw/zinc/83/87/46/570838746.db2.gz GSPLHJIJILZLGO-DAMWEWLOSA-N 0 3 367.449 3.807 50 5 FHBAHN COC(=O)CC(C)(C)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072294899 571053210 /nfs/dbraw/zinc/05/32/10/571053210.db2.gz AYRWGVGYSPOXGD-UHFFFAOYSA-N 0 3 371.437 3.794 50 5 FHBAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000007686654 571285810 /nfs/dbraw/zinc/28/58/10/571285810.db2.gz XSPRVSVQVIPCHP-SFHVURJKSA-N 0 3 373.840 3.815 50 5 FHBAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014094558 220106626 /nfs/dbraw/zinc/10/66/26/220106626.db2.gz VYYBAEJENLPVFA-HKUYNNGSSA-N 0 3 366.421 3.743 50 5 FHBAHN O=[N+]([O-])c1cc(CNCc2ccc(C[NH+]3CCCCC3)cc2)ccc1[O-] ZINC000058339725 221115051 /nfs/dbraw/zinc/11/50/51/221115051.db2.gz NQODZCKDLTYPSA-UHFFFAOYSA-N 0 3 355.438 3.576 50 5 FHBAHN CCN(CC)[C@@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000032902446 568413934 /nfs/dbraw/zinc/41/39/34/568413934.db2.gz GSPLHJIJILZLGO-JWHUVLAVSA-N 0 3 367.449 3.807 50 5 FHBAHN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H](c1cccs1)N1CCCC1 ZINC000003224705 571176835 /nfs/dbraw/zinc/17/68/35/571176835.db2.gz MQWQYQWCYUSRKW-CXAGYDPISA-N 0 3 359.451 3.612 50 5 FHBAHN CCc1ccc([C@@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000029931148 571344481 /nfs/dbraw/zinc/34/44/81/571344481.db2.gz ABGSDHZWWDZFGC-FBRRREGBSA-N 0 3 367.449 3.590 50 5 FHBAHN