smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)ccc1Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000222632493 331801654 /nfs/dbraw/zinc/80/16/54/331801654.db2.gz ZXLCZQZMWSPMMA-UHFFFAOYSA-N -1 0 306.705 3.998 40 5 DHBBRM CCCCNC(=O)c1cc([N+](=O)[O-])cc(C2CCCCC2)c1[O-] ZINC000001683559 563864626 /nfs/dbraw/zinc/86/46/26/563864626.db2.gz PAPZGXCGNZTQIJ-UHFFFAOYSA-N -1 0 320.389 3.878 40 5 DHBBRM O=C([O-])/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000006221040 181320606 /nfs/dbraw/zinc/32/06/06/181320606.db2.gz WNOPRBQXFLPUNX-ZROIWOOFSA-N -1 0 303.701 3.873 40 5 DHBBRM O=C([O-])c1cc([N+](=O)[O-])ccc1Nc1cccc2c(O)cccc12 ZINC000408712754 257227962 /nfs/dbraw/zinc/22/79/62/257227962.db2.gz NQZZZERMFKIXSW-UHFFFAOYSA-N -1 0 324.292 3.895 40 5 DHBBRM O=C([O-])c1cc([N+](=O)[O-])ccc1NCc1ccc(Cl)cc1 ZINC000021804861 333390294 /nfs/dbraw/zinc/39/02/94/333390294.db2.gz IRZADHRWNCQILY-UHFFFAOYSA-N -1 0 306.705 3.559 40 5 DHBBRM C[C@]12CC[C@H]3c4ccc([O-])c([N+](=O)[O-])c4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000013527229 563464250 /nfs/dbraw/zinc/46/42/50/563464250.db2.gz OMZSNIQSXZEIKB-PHRGQOSZSA-N -1 0 317.385 3.517 40 5 DHBBRM O=C(Sc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000016431412 563875684 /nfs/dbraw/zinc/87/56/84/563875684.db2.gz WDRWQOGXVLSTFH-UHFFFAOYSA-N -1 0 305.359 3.670 40 5 DHBBRM COc1ccc(Nc2cc(Cl)c([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000022113141 182309273 /nfs/dbraw/zinc/30/92/73/182309273.db2.gz WSAVNLSOILQENP-UHFFFAOYSA-N -1 0 322.704 3.699 40 5 DHBBRM O=[N+]([O-])c1cc(Br)cc(Cc2ccccc2)c1[O-] ZINC000057352723 184034908 /nfs/dbraw/zinc/03/49/08/184034908.db2.gz BHFUNGJJILMYHD-UHFFFAOYSA-N -1 0 308.131 3.654 40 5 DHBBRM Cc1ccc(Cl)cc1Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000021793168 182289524 /nfs/dbraw/zinc/28/95/24/182289524.db2.gz MEIMTCADVQJUCY-UHFFFAOYSA-N -1 0 306.705 3.998 40 5 DHBBRM CCCN1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc21 ZINC000409118294 257222379 /nfs/dbraw/zinc/22/23/79/257222379.db2.gz PONBTEDHQVLORP-UVTDQMKNSA-N -1 0 324.336 3.598 40 5 DHBBRM C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])c([O-])cc4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000027197884 563915167 /nfs/dbraw/zinc/91/51/67/563915167.db2.gz GWIXIEVQSOLTQI-YKRRISCLSA-N -1 0 317.385 3.517 40 5 DHBBRM COc1cc([N+](=O)[O-])cc(-c2nc3ccccc3s2)c1[O-] ZINC000008109781 563922292 /nfs/dbraw/zinc/92/22/92/563922292.db2.gz KNYXRRASSWHLFW-UHFFFAOYSA-N -1 0 302.311 3.586 40 5 DHBBRM O=C([O-])c1cc([N+](=O)[O-])ccc1COc1ccccc1Cl ZINC000072209202 257127875 /nfs/dbraw/zinc/12/78/75/257127875.db2.gz CEOMXHSHGMGEOP-UHFFFAOYSA-N -1 0 307.689 3.525 40 5 DHBBRM C[C@@]12CC[C@H]3c4cc([N+](=O)[O-])c([O-])cc4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000034378769 563623483 /nfs/dbraw/zinc/62/34/83/563623483.db2.gz GWIXIEVQSOLTQI-PMABOYOESA-N -1 0 317.385 3.517 40 5 DHBBRM O=C([O-])/C(=C\c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000006221041 181320229 /nfs/dbraw/zinc/32/02/29/181320229.db2.gz KEFAXLZZPGRBNW-ZROIWOOFSA-N -1 0 303.701 3.873 40 5 DHBBRM C[C@]12CC[C@@H]3c4ccc([O-])c([N+](=O)[O-])c4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000013527233 563464462 /nfs/dbraw/zinc/46/44/62/563464462.db2.gz OMZSNIQSXZEIKB-BLWLFSITSA-N -1 0 317.385 3.517 40 5 DHBBRM C[C@@]12CC[C@H]3c4ccc([O-])c([N+](=O)[O-])c4CC[C@@H]3[C@@H]1CCC2=O ZINC000033889164 563615721 /nfs/dbraw/zinc/61/57/21/563615721.db2.gz WNYWRAYXFFPPGN-MMNXLFCMSA-N -1 0 315.369 3.726 40 5 DHBBRM C[C@H](CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000150034388 186053929 /nfs/dbraw/zinc/05/39/29/186053929.db2.gz KIGUIWNTUCFMDD-GFCCVEGCSA-N -1 0 314.341 3.726 40 5 DHBBRM C[C@@H](CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000150034174 186054103 /nfs/dbraw/zinc/05/41/03/186054103.db2.gz KIGUIWNTUCFMDD-LBPRGKRZSA-N -1 0 314.341 3.726 40 5 DHBBRM C[C@]12C[C@H](CC(C)(C)C1)N(c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000004184292 181082682 /nfs/dbraw/zinc/08/26/82/181082682.db2.gz KYQBVAJBHJTDDX-SJCJKPOMSA-N -1 0 318.373 3.698 40 5 DHBBRM C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c2c(C(=O)[O-])cccc12 ZINC000062719852 134811677 /nfs/dbraw/zinc/81/16/77/134811677.db2.gz ROFCWTPIJWNRER-LLVKDONJSA-N -1 0 314.341 3.825 40 5 DHBBRM O=C([O-])[C@@]12C[C@@H]3C[C@@H](C[C@@](c4ccc([N+](=O)[O-])cc4)(C3)C1)C2 ZINC000100245343 563587788 /nfs/dbraw/zinc/58/77/88/563587788.db2.gz JGYFFTQRRDPOIR-PRRDBKRISA-N -1 0 301.342 3.517 40 5 DHBBRM C[C@H]1CCCCN1c1ccc([N+](=O)[O-])c2c(C(=O)[O-])cccc12 ZINC000062719855 563653679 /nfs/dbraw/zinc/65/36/79/563653679.db2.gz ROFCWTPIJWNRER-NSHDSACASA-N -1 0 314.341 3.825 40 5 DHBBRM O=C([O-])/C=C/c1cccc2c(Br)ccc([N+](=O)[O-])c12 ZINC000003844828 181048790 /nfs/dbraw/zinc/04/87/90/181048790.db2.gz GTZPCRYZKCWNRU-QPJJXVBHSA-N -1 0 322.114 3.608 40 5 DHBBRM Cc1cc([N+](=O)[O-])c(-c2ccc(/C=C/C(=O)[O-])o2)cc1Cl ZINC000040541574 183097867 /nfs/dbraw/zinc/09/78/67/183097867.db2.gz ZBDLWQIQOPOPBN-HWKANZROSA-N -1 0 307.689 3.914 40 5 DHBBRM O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2cc1[O-] ZINC000004783244 181151318 /nfs/dbraw/zinc/15/13/18/181151318.db2.gz ANHISTOUUYKCMS-UHFFFAOYSA-N -1 0 308.293 3.706 40 5 DHBBRM C[C@H](CCc1ccccc1)Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000222633063 201618248 /nfs/dbraw/zinc/61/82/48/201618248.db2.gz UBHCPHUCGQOJAZ-GFCCVEGCSA-N -1 0 314.341 3.726 40 5 DHBBRM Cc1c(Cl)cccc1Nc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000020008400 182176821 /nfs/dbraw/zinc/17/68/21/182176821.db2.gz QGHDGINROSVFNP-UHFFFAOYSA-N -1 0 306.705 3.998 40 5 DHBBRM C[C@]12CC[C@H]3c4ccc([O-])c([N+](=O)[O-])c4CC[C@@H]3[C@@H]1CCC2=O ZINC000033889165 563615741 /nfs/dbraw/zinc/61/57/41/563615741.db2.gz WNYWRAYXFFPPGN-XBPIAWKYSA-N -1 0 315.369 3.726 40 5 DHBBRM C[C@]12CC[C@H]3c4cc([N+](=O)[O-])c([O-])cc4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000034378770 563623776 /nfs/dbraw/zinc/62/37/76/563623776.db2.gz GWIXIEVQSOLTQI-LHNYJSQHSA-N -1 0 317.385 3.517 40 5 DHBBRM Cc1c(Cl)cccc1NC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000025668262 563809157 /nfs/dbraw/zinc/80/91/57/563809157.db2.gz JUJQQMDENHWWKM-UHFFFAOYSA-N -1 0 321.720 3.906 40 5 DHBBRM Cc1sc(N2CCCC2)nc1-c1cc(C)cc([N+](=O)[O-])c1[O-] ZINC000035188753 563840122 /nfs/dbraw/zinc/84/01/22/563840122.db2.gz SINBLOYWCNPABY-UHFFFAOYSA-N -1 0 319.386 3.641 40 5 DHBBRM Cc1ccc(S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000225126851 563921091 /nfs/dbraw/zinc/92/10/91/563921091.db2.gz YTNBDNNIVQRJQE-HNNXBMFYSA-N -1 0 317.366 3.691 40 5 DHBBRM Cc1cc2c(=O)c3ccc(Cl)cc3[nH]c2c(C(=O)[O-])c1C ZINC000005545900 181255433 /nfs/dbraw/zinc/25/54/33/181255433.db2.gz NGCZBQCMFLUJDJ-UHFFFAOYSA-N -1 0 301.729 3.650 40 5 DHBBRM C[C@@]12CC[C@H]3c4ccc([O-])c([N+](=O)[O-])c4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000104357891 194000856 /nfs/dbraw/zinc/00/08/56/194000856.db2.gz OMZSNIQSXZEIKB-HEWKYXSKSA-N -1 0 317.385 3.517 40 5 DHBBRM Cc1c(Cl)cc(-c2ccc(/C=C/C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC000026508643 563865976 /nfs/dbraw/zinc/86/59/76/563865976.db2.gz AURGGRKRMQKCGN-HWKANZROSA-N -1 0 307.689 3.914 40 5 DHBBRM C[C@@]12CC[C@@H]3c4ccc([O-])c([N+](=O)[O-])c4CC[C@@H]3[C@@H]1CCC2=O ZINC000033889162 563615796 /nfs/dbraw/zinc/61/57/96/563615796.db2.gz WNYWRAYXFFPPGN-BKTMZONDSA-N -1 0 315.369 3.726 40 5 DHBBRM Cc1cc(Cl)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000137494209 568418002 /nfs/dbraw/zinc/41/80/02/568418002.db2.gz BMJOLKWUSVGMAB-UHFFFAOYSA-N -1 0 306.705 3.998 40 5 DHBBRM O=C([O-])c1cc([N+](=O)[O-])ccc1Nc1ccc(Cl)c(F)c1 ZINC000110342062 256584899 /nfs/dbraw/zinc/58/48/99/256584899.db2.gz YMKDVWFXKCODBS-UHFFFAOYSA-N -1 0 310.668 3.829 40 5 DHBBRM CC1CCN(c2ccc([N+](=O)[O-])c3c(C(=O)[O-])cccc23)CC1 ZINC000062719858 563653571 /nfs/dbraw/zinc/65/35/71/563653571.db2.gz UUKXXLRAPYITIO-UHFFFAOYSA-N -1 0 314.341 3.683 40 5 DHBBRM C[C@@]12C[C@@H](CC(C)(C)C1)N(c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000004184293 181082422 /nfs/dbraw/zinc/08/24/22/181082422.db2.gz KYQBVAJBHJTDDX-SJKOYZFVSA-N -1 0 318.373 3.698 40 5 DHBBRM CC(C)c1ccc(S(=O)(=O)[N-]c2ccccc2[N+](=O)[O-])cc1 ZINC000022259178 182315649 /nfs/dbraw/zinc/31/56/49/182315649.db2.gz VCQNCHJZRYKARC-UHFFFAOYSA-N -1 0 320.370 3.519 40 5 DHBBRM C[C@@]12CC[C@@H]3c4cc([N+](=O)[O-])c([O-])cc4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000034378768 563623448 /nfs/dbraw/zinc/62/34/48/563623448.db2.gz GWIXIEVQSOLTQI-VCMWWZGJSA-N -1 0 317.385 3.517 40 5 DHBBRM COc1ccc(SCc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000001624325 180881072 /nfs/dbraw/zinc/88/10/72/180881072.db2.gz FUMAXMUVRHUZST-UHFFFAOYSA-N -1 0 319.338 3.594 40 5 DHBBRM O=C([O-])c1cc([N+](=O)[O-])ccc1Nc1cnc2ccccc2c1 ZINC000320337186 257213080 /nfs/dbraw/zinc/21/30/80/257213080.db2.gz ZSNZHYRDYPVPNS-UHFFFAOYSA-N -1 0 309.281 3.585 40 5 DHBBRM Cc1cccc2c(C(=O)[O-])cc(-c3cccc([N+](=O)[O-])c3)nc12 ZINC000113839531 568421914 /nfs/dbraw/zinc/42/19/14/568421914.db2.gz CJJUJMAOBQJPPH-UHFFFAOYSA-N -1 0 308.293 3.817 40 5 DHBBRM C[C@@]12CC[C@@H]3c4ccc([O-])c([N+](=O)[O-])c4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000104357887 194001322 /nfs/dbraw/zinc/00/13/22/194001322.db2.gz OMZSNIQSXZEIKB-NEZYRJPUSA-N -1 0 317.385 3.517 40 5 DHBBRM O=[N+]([O-])c1cc(Br)c([O-])c(Cc2ccccc2)c1 ZINC000057352725 184034923 /nfs/dbraw/zinc/03/49/23/184034923.db2.gz BPWAMGAPENLVFB-UHFFFAOYSA-N -1 0 308.131 3.654 40 5 DHBBRM O=C([O-])c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000007603948 256521843 /nfs/dbraw/zinc/52/18/43/256521843.db2.gz YBFFQRGHUDKUCJ-UHFFFAOYSA-N -1 0 307.689 3.525 40 5 DHBBRM O=[N+]([O-])c1cc(Cl)ccc1Sc1n[nH]c(C(F)(F)F)n1 ZINC000078406550 1019500166 /nfs/dbraw/zinc/50/01/66/1019500166.db2.gz MGZHMLVRSTYNOO-UHFFFAOYSA-N -1 0 324.671 3.536 40 5 DHBBRM O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2o1 ZINC000005949164 181300222 /nfs/dbraw/zinc/30/02/22/181300222.db2.gz HEWWIWSGHZRFKU-UHFFFAOYSA-N -1 0 316.294 3.585 40 5 DHBBRM Cc1ccc(SCC(=O)c2cc(C)cc([N+](=O)[O-])c2[O-])cc1 ZINC000006814804 181394118 /nfs/dbraw/zinc/39/41/18/181394118.db2.gz FRPXUWZGSPFSKQ-UHFFFAOYSA-N -1 0 317.366 3.892 40 5 DHBBRM O=[N+]([O-])c1cc([N+](=O)[O-])c(C=C([O-])c2ccccc2)cc1Cl ZINC000003844549 181048235 /nfs/dbraw/zinc/04/82/35/181048235.db2.gz DQPVDMFCAIDPPP-UHFFFAOYSA-N -1 0 320.688 3.582 40 5 DHBBRM O=C([O-])[C@@H]1CS[C@H](c2c3ccccc3cc3ccccc32)N1 ZINC000005949016 181300014 /nfs/dbraw/zinc/30/00/14/181300014.db2.gz WSROLNNPNVSZDB-DOTOQJQBSA-N -1 0 309.390 3.781 40 5 DHBBRM O=C([O-])/C(=C\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000001569650 180873772 /nfs/dbraw/zinc/87/37/72/180873772.db2.gz IBZKMUWZHNKPTK-ZROIWOOFSA-N -1 0 303.701 3.873 40 5 DHBBRM O=C([O-])CSc1nnc2c3ccccc3c3ccccc3c2n1 ZINC000001573831 180874754 /nfs/dbraw/zinc/87/47/54/180874754.db2.gz XZGDBVGWDJBZRI-UHFFFAOYSA-N -1 0 321.361 3.508 40 5 in-vitro DHBBRM C[C@@H](CCc1ccccc1)Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000222632993 563788344 /nfs/dbraw/zinc/78/83/44/563788344.db2.gz UBHCPHUCGQOJAZ-LBPRGKRZSA-N -1 0 314.341 3.726 40 5 DHBBRM Cc1c(C(=O)[O-])c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000216947890 563941794 /nfs/dbraw/zinc/94/17/94/563941794.db2.gz ABLUAFIAULIJKS-UHFFFAOYSA-N -1 0 310.309 3.604 40 5 DHBBRM O=C(Nc1ccccc1[S-])c1coc2ccc([N+](=O)[O-])cc12 ZINC000408966459 257225167 /nfs/dbraw/zinc/22/51/67/257225167.db2.gz MUKFBDAWKITCRR-UHFFFAOYSA-N -1 0 314.322 3.882 40 5 DHBBRM O=C([O-])/C(=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000001665244 563864268 /nfs/dbraw/zinc/86/42/68/563864268.db2.gz CGQQZAUXFVBRMF-UKTHLTGXSA-N -1 0 303.701 3.873 40 5 DHBBRM O=C([O-])c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000007603952 563917197 /nfs/dbraw/zinc/91/71/97/563917197.db2.gz KLBGFZFLVUIJHD-UHFFFAOYSA-N -1 0 307.689 3.525 40 5 DHBBRM Cc1oc(CSCc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC000059519744 563945656 /nfs/dbraw/zinc/94/56/56/563945656.db2.gz DMTOAHRQRBCGSJ-UHFFFAOYSA-N -1 0 307.327 3.628 40 5 DHBBRM Cc1c(Cl)cccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000001574109 180874803 /nfs/dbraw/zinc/87/48/03/180874803.db2.gz AHMRPRVEPUCPGA-UHFFFAOYSA-N -1 0 306.705 3.515 40 5 DHBBRM O=C([O-])c1cc([N+](=O)[O-])ccc1COc1ccc(Cl)cc1 ZINC000072209203 257128107 /nfs/dbraw/zinc/12/81/07/257128107.db2.gz YXIWTSUCCLYREA-UHFFFAOYSA-N -1 0 307.689 3.525 40 5 DHBBRM Cc1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1Cl ZINC000022150686 563715462 /nfs/dbraw/zinc/71/54/62/563715462.db2.gz BLSJMQGUFOSMGH-UHFFFAOYSA-N -1 0 306.705 3.998 40 5 DHBBRM O=C([O-])/C(=C\c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000001746886 563874567 /nfs/dbraw/zinc/87/45/67/563874567.db2.gz FNISDUWWUJVZRN-ZSOIEALJSA-N -1 0 303.701 3.873 40 5 DHBBRM O=C([O-])c1cc([N+](=O)[O-])cc2nc(-c3ccccc3Cl)oc21 ZINC000073641957 191335809 /nfs/dbraw/zinc/33/58/09/191335809.db2.gz MOFNNMPRBBZTOS-UHFFFAOYSA-N -1 0 318.672 3.755 40 5 DHBBRM Cc1c(Cl)cccc1Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000005180119 181213573 /nfs/dbraw/zinc/21/35/73/181213573.db2.gz MUFGYLNKAMBALW-UHFFFAOYSA-N -1 0 306.705 3.998 40 5 DHBBRM O=C([O-])[C@@H]1CS[C@@H](c2c3ccccc3cc3ccccc32)N1 ZINC000005949020 181299804 /nfs/dbraw/zinc/29/98/04/181299804.db2.gz WSROLNNPNVSZDB-RDJZCZTQSA-N -1 0 309.390 3.781 40 5 DHBBRM Cc1ccc(Cl)cc1Nc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000020557309 182231689 /nfs/dbraw/zinc/23/16/89/182231689.db2.gz GJELNTYKHJNOMD-UHFFFAOYSA-N -1 0 306.705 3.998 40 5 DHBBRM COc1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1Cl ZINC000222633471 563788459 /nfs/dbraw/zinc/78/84/59/563788459.db2.gz PAXDBMXJWZXSQC-UHFFFAOYSA-N -1 0 322.704 3.699 40 5 DHBBRM O=C([O-])/C(=C/c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000005181818 181213878 /nfs/dbraw/zinc/21/38/78/181213878.db2.gz FNISDUWWUJVZRN-RIYZIHGNSA-N -1 0 303.701 3.873 40 5 DHBBRM O=C([O-])CS[C@@H](Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000016806744 182061295 /nfs/dbraw/zinc/06/12/95/182061295.db2.gz BFCGSRWCIFWOIP-OAHLLOKOSA-N -1 0 318.354 3.523 40 5 DHBBRM O=C([O-])c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000035414877 182774905 /nfs/dbraw/zinc/77/49/05/182774905.db2.gz FXUHCOPLHYJSHY-UHFFFAOYSA-N -1 0 307.689 3.525 40 5 DHBBRM COc1ccc(Cl)cc1Nc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000222633388 563788495 /nfs/dbraw/zinc/78/84/95/563788495.db2.gz NREMGWARTVKTFE-UHFFFAOYSA-N -1 0 322.704 3.699 40 5 DHBBRM O=C([O-])/C(=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000001665245 180885224 /nfs/dbraw/zinc/88/52/24/180885224.db2.gz CGQQZAUXFVBRMF-LCYFTJDESA-N -1 0 303.701 3.873 40 5 DHBBRM Cc1ccc(S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000225126884 201688405 /nfs/dbraw/zinc/68/84/05/201688405.db2.gz YTNBDNNIVQRJQE-OAHLLOKOSA-N -1 0 317.366 3.691 40 5 DHBBRM Cc1ccc(Nc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1Cl ZINC000005180110 181213745 /nfs/dbraw/zinc/21/37/45/181213745.db2.gz ARVIUWIEUXAMGC-UHFFFAOYSA-N -1 0 306.705 3.998 40 5 DHBBRM O=C([O-])c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000021038346 182263079 /nfs/dbraw/zinc/26/30/79/182263079.db2.gz NPVKDGQILBEIQE-UHFFFAOYSA-N -1 0 307.689 3.525 40 5 DHBBRM O=C([O-])c1cc([N+](=O)[O-])cc2nc(-c3ccc(Cl)cc3)oc21 ZINC000073641913 191335019 /nfs/dbraw/zinc/33/50/19/191335019.db2.gz YTRFJVHZNUMDPH-UHFFFAOYSA-N -1 0 318.672 3.755 40 5 DHBBRM O=C([O-])c1cc([N+](=O)[O-])cc2nc(-c3cccc(Cl)c3)oc21 ZINC000073641936 191335401 /nfs/dbraw/zinc/33/54/01/191335401.db2.gz DKUFLSXKMRMKQG-UHFFFAOYSA-N -1 0 318.672 3.755 40 5 DHBBRM C[C@]12CC[C@@H]3c4ccc([O-])c([N+](=O)[O-])c4CC[C@@H]3[C@@H]1CCC2=O ZINC000033889163 563615685 /nfs/dbraw/zinc/61/56/85/563615685.db2.gz WNYWRAYXFFPPGN-MCTLKSGKSA-N -1 0 315.369 3.726 40 5 DHBBRM COc1ccc(Cl)cc1Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000005180102 181213509 /nfs/dbraw/zinc/21/35/09/181213509.db2.gz VRKZIRUTRLEEON-UHFFFAOYSA-N -1 0 322.704 3.699 40 5 DHBBRM O=C([O-])CS[C@H](Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000016806746 182061307 /nfs/dbraw/zinc/06/13/07/182061307.db2.gz BFCGSRWCIFWOIP-HNNXBMFYSA-N -1 0 318.354 3.523 40 5 DHBBRM O=Cc1cc(Cc2cccc3ccccc32)cc([N+](=O)[O-])c1[O-] ZINC000057354550 184035347 /nfs/dbraw/zinc/03/53/47/184035347.db2.gz SSRMFRVNODSGGB-UHFFFAOYSA-N -1 0 307.305 3.857 40 5 DHBBRM COc1ccc(Nc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1Cl ZINC000222632781 563788071 /nfs/dbraw/zinc/78/80/71/563788071.db2.gz KNGQKKYHTCWHSZ-UHFFFAOYSA-N -1 0 322.704 3.699 40 5 DHBBRM O=C([O-])/C(=C/c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000001569649 563863095 /nfs/dbraw/zinc/86/30/95/563863095.db2.gz IBZKMUWZHNKPTK-NTEUORMPSA-N -1 0 303.701 3.873 40 5 DHBBRM