smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001477865718 1069870366 /nfs/dbraw/zinc/87/03/66/1069870366.db2.gz UIATXKIQHCLLTG-MRXNPFEDSA-N 1 1 453.565 1.704 20 5 JDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001477865717 1069870513 /nfs/dbraw/zinc/87/05/13/1069870513.db2.gz UIATXKIQHCLLTG-INIZCTEOSA-N 1 1 453.565 1.704 20 5 JDBDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001502248906 1069930281 /nfs/dbraw/zinc/93/02/81/1069930281.db2.gz DDVMYZRBZAGSOR-OALUTQOASA-N 1 1 484.605 1.936 20 5 JDBDMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001502270954 1069990801 /nfs/dbraw/zinc/99/08/01/1069990801.db2.gz WKSABMWZJZWFAT-CVEARBPZSA-N 1 1 477.591 1.701 20 5 JDBDMO CC[N@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001502270957 1069992370 /nfs/dbraw/zinc/99/23/70/1069992370.db2.gz WKSABMWZJZWFAT-JKSUJKDBSA-N 1 1 477.591 1.701 20 5 JDBDMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001502283430 1070018650 /nfs/dbraw/zinc/01/86/50/1070018650.db2.gz RJPVLPSFBNOZQL-VQTJNVASSA-N 1 1 457.535 1.679 20 5 JDBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001478892430 1070063662 /nfs/dbraw/zinc/06/36/62/1070063662.db2.gz XLADMJSIBDZGLN-RBUKOAKNSA-N 1 1 451.549 1.628 20 5 JDBDMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001479148383 1070094449 /nfs/dbraw/zinc/09/44/49/1070094449.db2.gz WVWNADCUWJJPSZ-BHDDXSALSA-N 1 1 458.515 1.498 20 5 JDBDMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001479148383 1070094464 /nfs/dbraw/zinc/09/44/64/1070094464.db2.gz WVWNADCUWJJPSZ-BHDDXSALSA-N 1 1 458.515 1.498 20 5 JDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCN(c4ccc(S(C)(=O)=O)cc4[N+](=O)[O-])CC3)[C@H]2C1 ZINC001479591499 1070170101 /nfs/dbraw/zinc/17/01/01/1070170101.db2.gz VSHOEHOQHMBHTG-XIRDDKMYSA-N 1 1 451.549 1.170 20 5 JDBDMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001494108892 1070398476 /nfs/dbraw/zinc/39/84/76/1070398476.db2.gz YFBXKLQZHXAMAR-INIZCTEOSA-N 1 1 457.535 1.631 20 5 JDBDMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCOCC1(C)C ZINC001494108892 1070398495 /nfs/dbraw/zinc/39/84/95/1070398495.db2.gz YFBXKLQZHXAMAR-INIZCTEOSA-N 1 1 457.535 1.631 20 5 JDBDMO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCN(CC[NH+](C)C)CC2)CC(=O)N1C ZINC001494228326 1070511729 /nfs/dbraw/zinc/51/17/29/1070511729.db2.gz PUNWGXKYIXJWSP-GOSISDBHSA-N 1 1 484.605 1.794 20 5 JDBDMO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC(=O)N1C ZINC001494229393 1070513332 /nfs/dbraw/zinc/51/33/32/1070513332.db2.gz YJJRRZCNJKHIKS-FXAWDEMLSA-N 1 1 471.562 1.757 20 5 JDBDMO CCOCC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N2CCOCC2)CC1 ZINC001503220413 1071174469 /nfs/dbraw/zinc/17/44/69/1071174469.db2.gz LQFDJQFDDHSOSW-UHFFFAOYSA-N 1 1 487.561 1.261 20 5 JDBDMO COC[C@H](F)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001504597855 1071446930 /nfs/dbraw/zinc/44/69/30/1071446930.db2.gz ZHUNZJKHIIMGTK-LJQANCHMSA-N 1 1 489.552 1.972 20 5 JDBDMO COC[C@H](F)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001504597855 1071446949 /nfs/dbraw/zinc/44/69/49/1071446949.db2.gz ZHUNZJKHIIMGTK-LJQANCHMSA-N 1 1 489.552 1.972 20 5 JDBDMO COC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001504712751 1071570663 /nfs/dbraw/zinc/57/06/63/1071570663.db2.gz JNRZTCHZKYWKKC-FQEVSTJZSA-N 1 1 473.578 1.731 20 5 JDBDMO COC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001504712751 1071570671 /nfs/dbraw/zinc/57/06/71/1071570671.db2.gz JNRZTCHZKYWKKC-FQEVSTJZSA-N 1 1 473.578 1.731 20 5 JDBDMO COC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001504712751 1071570680 /nfs/dbraw/zinc/57/06/80/1071570680.db2.gz JNRZTCHZKYWKKC-FQEVSTJZSA-N 1 1 473.578 1.731 20 5 JDBDMO COCC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001504748454 1071626941 /nfs/dbraw/zinc/62/69/41/1071626941.db2.gz FOMBRWSEEBVCKR-MBSDFSHPSA-N 1 1 474.562 1.799 20 5 JDBDMO COCC[N@@H+](C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001504849013 1071744489 /nfs/dbraw/zinc/74/44/89/1071744489.db2.gz OPGPRVZOQDETDJ-LJQANCHMSA-N 1 1 457.535 1.633 20 5 JDBDMO COCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001504853235 1071756477 /nfs/dbraw/zinc/75/64/77/1071756477.db2.gz AIUUXXDQIQSFRP-GOSISDBHSA-N 1 1 466.564 1.445 20 5 JDBDMO COCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001504853235 1071756499 /nfs/dbraw/zinc/75/64/99/1071756499.db2.gz AIUUXXDQIQSFRP-GOSISDBHSA-N 1 1 466.564 1.445 20 5 JDBDMO COCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001504853548 1071759113 /nfs/dbraw/zinc/75/91/13/1071759113.db2.gz FEZNBVODWBHOER-RTBURBONSA-N 1 1 457.535 1.679 20 5 JDBDMO COCC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001504910840 1071865686 /nfs/dbraw/zinc/86/56/86/1071865686.db2.gz NKEDZAHKPCABGU-UHFFFAOYSA-N 1 1 471.440 1.300 20 5 JDBDMO COCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001504912225 1071870218 /nfs/dbraw/zinc/87/02/18/1071870218.db2.gz ZRFMXICTTXUTGZ-QFBILLFUSA-N 1 1 471.562 1.925 20 5 JDBDMO CN(CCS(C)(=O)=O)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001503635397 1071947046 /nfs/dbraw/zinc/94/70/46/1071947046.db2.gz MBOUXTCIWLJDFY-UHFFFAOYSA-N 1 1 479.607 1.360 20 5 JDBDMO CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001464844101 1067673107 /nfs/dbraw/zinc/67/31/07/1067673107.db2.gz JHOABHNVWRGCSM-UHFFFAOYSA-N 1 1 457.575 1.713 20 5 JDBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)c1F ZINC001464847530 1067675347 /nfs/dbraw/zinc/67/53/47/1067675347.db2.gz XCDDXUAMGCLYHG-UHFFFAOYSA-N 1 1 453.490 1.492 20 5 JDBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001465954391 1067846152 /nfs/dbraw/zinc/84/61/52/1067846152.db2.gz GQMXMICZWXHPFL-IEBWSBKVSA-N 1 1 454.483 1.319 20 5 JDBDMO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC001466279937 1067875049 /nfs/dbraw/zinc/87/50/49/1067875049.db2.gz CKHNTITZSLTVDN-WOJBJXKFSA-N 1 1 457.531 1.273 20 5 JDBDMO CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC001466927884 1067949413 /nfs/dbraw/zinc/94/94/13/1067949413.db2.gz ULVKDNAQZPWTQZ-CRAIPNDOSA-N 1 1 452.577 1.750 20 5 JDBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC001467745010 1068060620 /nfs/dbraw/zinc/06/06/20/1068060620.db2.gz JZTRIDQKHQYCER-JTDSTZFVSA-N 1 1 454.549 1.316 20 5 JDBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC001467745010 1068060637 /nfs/dbraw/zinc/06/06/37/1068060637.db2.gz JZTRIDQKHQYCER-JTDSTZFVSA-N 1 1 454.549 1.316 20 5 JDBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC001467745008 1068060776 /nfs/dbraw/zinc/06/07/76/1068060776.db2.gz JZTRIDQKHQYCER-FCEWJHQRSA-N 1 1 454.549 1.316 20 5 JDBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC001467745008 1068060798 /nfs/dbraw/zinc/06/07/98/1068060798.db2.gz JZTRIDQKHQYCER-FCEWJHQRSA-N 1 1 454.549 1.316 20 5 JDBDMO C[C@@H](NC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001468967904 1068408104 /nfs/dbraw/zinc/40/81/04/1068408104.db2.gz LHJKOVMNKOPFSV-ZINXYGQCSA-N 1 1 458.515 1.578 20 5 JDBDMO C[C@@H](NC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001468967904 1068408114 /nfs/dbraw/zinc/40/81/14/1068408114.db2.gz LHJKOVMNKOPFSV-ZINXYGQCSA-N 1 1 458.515 1.578 20 5 JDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001469253380 1068476756 /nfs/dbraw/zinc/47/67/56/1068476756.db2.gz MHWFSPHOKZRLNF-IAGOWNOFSA-N 1 1 454.549 1.223 20 5 JDBDMO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC001470531092 1068777064 /nfs/dbraw/zinc/77/70/64/1068777064.db2.gz KMXKGDZTRHZQFL-NRFANRHFSA-N 1 1 454.531 1.326 20 5 JDBDMO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC001470531092 1068777094 /nfs/dbraw/zinc/77/70/94/1068777094.db2.gz KMXKGDZTRHZQFL-NRFANRHFSA-N 1 1 454.531 1.326 20 5 JDBDMO CC(C)C[N@@H+](C)CCCNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001470700964 1068804339 /nfs/dbraw/zinc/80/43/39/1068804339.db2.gz LCZFBAXWGJKTLQ-UHFFFAOYSA-N 1 1 455.581 1.808 20 5 JDBDMO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001472581209 1069034157 /nfs/dbraw/zinc/03/41/57/1069034157.db2.gz NJDXSSGODFQYDH-HNNXBMFYSA-N 1 1 454.549 1.699 20 5 JDBDMO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[N@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001472581209 1069034174 /nfs/dbraw/zinc/03/41/74/1069034174.db2.gz NJDXSSGODFQYDH-HNNXBMFYSA-N 1 1 454.549 1.699 20 5 JDBDMO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001499681538 1069040966 /nfs/dbraw/zinc/04/09/66/1069040966.db2.gz HVGCEFMYFRNYMY-QFBILLFUSA-N 1 1 457.535 1.489 20 5 JDBDMO CCN(CC)S(=O)(=O)c1ccc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC001472737513 1069045493 /nfs/dbraw/zinc/04/54/93/1069045493.db2.gz LPPHROQIBZAJOT-GOSISDBHSA-N 1 1 453.565 1.544 20 5 JDBDMO C[C@H]1CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC001472788789 1069046978 /nfs/dbraw/zinc/04/69/78/1069046978.db2.gz PRCCJJBFSNOKMA-QGZVFWFLSA-N 1 1 451.593 1.842 20 5 JDBDMO COC(=O)[C@H]1CN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC001472809381 1069047743 /nfs/dbraw/zinc/04/77/43/1069047743.db2.gz GYNVCSOKWRACET-MRXNPFEDSA-N 1 1 454.549 1.701 20 5 JDBDMO COC(=O)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC001472809380 1069048172 /nfs/dbraw/zinc/04/81/72/1069048172.db2.gz GYNVCSOKWRACET-INIZCTEOSA-N 1 1 454.549 1.701 20 5 JDBDMO C[NH+]1CCN(CC2CN(c3ccc(S(=O)(=O)N4CCCCCC4)cc3[N+](=O)[O-])C2)CC1 ZINC001472820446 1069048763 /nfs/dbraw/zinc/04/87/63/1069048763.db2.gz IOGVOHJDCJOJSN-UHFFFAOYSA-N 1 1 451.593 1.843 20 5 JDBDMO NC(=O)c1cc(N2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)ccc1[N+](=O)[O-] ZINC001472883161 1069049372 /nfs/dbraw/zinc/04/93/72/1069049372.db2.gz IFGWZGGZVMRIQG-UHFFFAOYSA-N 1 1 452.515 1.754 20 5 JDBDMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccc(Br)cc1 ZINC001473571176 1069183345 /nfs/dbraw/zinc/18/33/45/1069183345.db2.gz WVFYYRNEIRKEPY-YESZJQIVSA-N 1 1 453.293 1.803 20 5 JDBDMO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001473581823 1069186521 /nfs/dbraw/zinc/18/65/21/1069186521.db2.gz GCRLBYHTAZTDOU-OAHLLOKOSA-N 1 1 458.537 1.441 20 5 JDBDMO C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001473581823 1069186528 /nfs/dbraw/zinc/18/65/28/1069186528.db2.gz GCRLBYHTAZTDOU-OAHLLOKOSA-N 1 1 458.537 1.441 20 5 JDBDMO CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000016246001 563012999 /nfs/dbraw/zinc/01/29/99/563012999.db2.gz BAMDWHYCUTVTMK-UHFFFAOYSA-N 1 1 461.496 1.500 20 5 JDBDMO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C2 ZINC001164828900 720469644 /nfs/dbraw/zinc/46/96/44/720469644.db2.gz BYVLNYOFPUSVOU-VZSQWMKGSA-N 1 1 471.562 1.708 20 5 JDBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164859344 720892998 /nfs/dbraw/zinc/89/29/98/720892998.db2.gz OZSGQEWOTPWUSI-WMZOPIPTSA-N 1 1 494.545 1.373 20 5 JDBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164868910 721263602 /nfs/dbraw/zinc/26/36/02/721263602.db2.gz GIVCWJIWUZIRFZ-UHFFFAOYSA-N 1 1 458.972 1.767 20 5 JDBDMO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164903676 721692213 /nfs/dbraw/zinc/69/22/13/721692213.db2.gz BMEJTJJQXVTSTH-NRFANRHFSA-N 1 1 474.516 1.927 20 5 JDBDMO COc1cccc(OC)c1CN1CCC(N(C)c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1 ZINC001165019249 721839141 /nfs/dbraw/zinc/83/91/41/721839141.db2.gz BLRQQCCJGVBWSN-UHFFFAOYSA-N 1 1 471.562 1.912 20 5 JDBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)ccc1[N+](=O)[O-] ZINC001164931585 721890786 /nfs/dbraw/zinc/89/07/86/721890786.db2.gz FGKOZTASIOCYSD-HZPDHXFCSA-N 1 1 463.535 1.414 20 5 JDBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)ccc1[N+](=O)[O-] ZINC001164931585 721890789 /nfs/dbraw/zinc/89/07/89/721890789.db2.gz FGKOZTASIOCYSD-HZPDHXFCSA-N 1 1 463.535 1.414 20 5 JDBDMO Cc1ccc(CN2CCOC3(CCN(c4ncnc(N5CC[NH2+]CC5)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164938981 721922882 /nfs/dbraw/zinc/92/28/82/721922882.db2.gz FTRLMXFGILGHIP-UHFFFAOYSA-N 1 1 467.574 1.974 20 5 JDBDMO COC(=O)c1nc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164984317 722105691 /nfs/dbraw/zinc/10/56/91/722105691.db2.gz SKQIUKUXJWBWLO-LSDHHAIUSA-N 1 1 462.894 1.947 20 5 JDBDMO CCOC(=O)c1nc(Cl)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1[N+](=O)[O-] ZINC001164996979 722229370 /nfs/dbraw/zinc/22/93/70/722229370.db2.gz LENSPLVLBHVKJC-UHFFFAOYSA-N 1 1 476.925 1.362 20 5 JDBDMO CCN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001501397315 1069507054 /nfs/dbraw/zinc/50/70/54/1069507054.db2.gz DURSXVDSVJDFAO-APWZRJJASA-N 1 1 457.535 1.489 20 5 JDBDMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CC1 ZINC001477397952 1069818698 /nfs/dbraw/zinc/81/86/98/1069818698.db2.gz LBJKPGYMOZJSEO-UHFFFAOYSA-N 1 1 451.487 1.858 20 5 JDBDMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001502270955 1069992643 /nfs/dbraw/zinc/99/26/43/1069992643.db2.gz WKSABMWZJZWFAT-HOTGVXAUSA-N 1 1 477.591 1.701 20 5 JDBDMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001502283428 1070018381 /nfs/dbraw/zinc/01/83/81/1070018381.db2.gz RJPVLPSFBNOZQL-PMACEKPBSA-N 1 1 457.535 1.679 20 5 JDBDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502311116 1070077974 /nfs/dbraw/zinc/07/79/74/1070077974.db2.gz MWXOGRDZPLZFSK-ZWKOTPCHSA-N 1 1 472.594 1.698 20 5 JDBDMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@@H](COC)OC)C2)CC1 ZINC001502334343 1070185529 /nfs/dbraw/zinc/18/55/29/1070185529.db2.gz GIUPIFXUZABVHE-RTWAWAEBSA-N 1 1 473.578 1.731 20 5 JDBDMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001493172193 1070235776 /nfs/dbraw/zinc/23/57/76/1070235776.db2.gz YIFSIDXJWZPQBS-INIZCTEOSA-N 1 1 457.535 1.631 20 5 JDBDMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001493172193 1070235815 /nfs/dbraw/zinc/23/58/15/1070235815.db2.gz YIFSIDXJWZPQBS-INIZCTEOSA-N 1 1 457.535 1.631 20 5 JDBDMO CC[NH+]1CCN(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001502354594 1070281524 /nfs/dbraw/zinc/28/15/24/1070281524.db2.gz LAOOXZABZIKVIQ-IBGZPJMESA-N 1 1 484.605 1.938 20 5 JDBDMO CC[NH+]1CCN(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502355111 1070285498 /nfs/dbraw/zinc/28/54/98/1070285498.db2.gz SPDXDYOVTVFEAX-XMMPIXPASA-N 1 1 484.605 1.843 20 5 JDBDMO CCNC(=O)C(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CCOC)CC1 ZINC001502372338 1070319203 /nfs/dbraw/zinc/31/92/03/1070319203.db2.gz 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/nfs/dbraw/zinc/72/53/11/1070725311.db2.gz YMBQYGCFPMBOLJ-PKTZIBPZSA-N 1 1 474.562 1.584 20 5 JDBDMO O=C(CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001546248659 1070819208 /nfs/dbraw/zinc/81/92/08/1070819208.db2.gz INGMHYQUWIZTBA-OAQYLSRUSA-N 1 1 451.483 1.548 20 5 JDBDMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001496161001 1070831861 /nfs/dbraw/zinc/83/18/61/1070831861.db2.gz SVQWJRROOBGUHN-AEFFLSMTSA-N 1 1 471.566 1.589 20 5 JDBDMO CCOCCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001503227387 1071196516 /nfs/dbraw/zinc/19/65/16/1071196516.db2.gz ZNXNKNHDNHOZHB-UGKGYDQZSA-N 1 1 460.535 1.552 20 5 JDBDMO COC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001504712752 1071570747 /nfs/dbraw/zinc/57/07/47/1071570747.db2.gz JNRZTCHZKYWKKC-HXUWFJFHSA-N 1 1 473.578 1.731 20 5 JDBDMO COC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001504712752 1071570757 /nfs/dbraw/zinc/57/07/57/1071570757.db2.gz JNRZTCHZKYWKKC-HXUWFJFHSA-N 1 1 473.578 1.731 20 5 JDBDMO COC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001504712752 1071570764 /nfs/dbraw/zinc/57/07/64/1071570764.db2.gz JNRZTCHZKYWKKC-HXUWFJFHSA-N 1 1 473.578 1.731 20 5 JDBDMO CN(C)C(=O)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001503361905 1071578895 /nfs/dbraw/zinc/57/88/95/1071578895.db2.gz JQBWOROZYHCPHF-GOSISDBHSA-N 1 1 471.562 1.880 20 5 JDBDMO COCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001504854833 1071764723 /nfs/dbraw/zinc/76/47/23/1071764723.db2.gz VDVDGNMHWMXCCS-OAQYLSRUSA-N 1 1 478.575 1.447 20 5 JDBDMO COCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001504854833 1071764742 /nfs/dbraw/zinc/76/47/42/1071764742.db2.gz VDVDGNMHWMXCCS-OAQYLSRUSA-N 1 1 478.575 1.447 20 5 JDBDMO COCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001504854831 1071765515 /nfs/dbraw/zinc/76/55/15/1071765515.db2.gz VDVDGNMHWMXCCS-NRFANRHFSA-N 1 1 478.575 1.447 20 5 JDBDMO COCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001504854831 1071765523 /nfs/dbraw/zinc/76/55/23/1071765523.db2.gz VDVDGNMHWMXCCS-NRFANRHFSA-N 1 1 478.575 1.447 20 5 JDBDMO COCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCOC[C@H]2C)C[C@H]1C ZINC001504909565 1071861630 /nfs/dbraw/zinc/86/16/30/1071861630.db2.gz BEFMETUBWCSBHY-RTBURBONSA-N 1 1 473.578 1.731 20 5 JDBDMO COCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCOC[C@@H]2C)C[C@H]1C ZINC001504909562 1071861681 /nfs/dbraw/zinc/86/16/81/1071861681.db2.gz BEFMETUBWCSBHY-MOPGFXCFSA-N 1 1 473.578 1.731 20 5 JDBDMO C[N@H+]1CC[C@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001503676892 1072009860 /nfs/dbraw/zinc/00/98/60/1072009860.db2.gz CLUMKZBZUJCXNW-HSZRJFAPSA-N 1 1 487.561 1.977 20 5 JDBDMO CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001464958826 1067713777 /nfs/dbraw/zinc/71/37/77/1067713777.db2.gz VJUKIRJJSYSYFT-IBGZPJMESA-N 1 1 454.549 1.319 20 5 JDBDMO CCOCC[NH+]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001464958832 1067713850 /nfs/dbraw/zinc/71/38/50/1067713850.db2.gz VJUKIRJJSYSYFT-LJQANCHMSA-N 1 1 454.549 1.319 20 5 JDBDMO CN1CC[NH+](Cc2ccc(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)cc2)CC1 ZINC001465321056 1067779884 /nfs/dbraw/zinc/77/98/84/1067779884.db2.gz GSQOKWAPKRIYBB-UHFFFAOYSA-N 1 1 451.527 1.940 20 5 JDBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001465954392 1067846215 /nfs/dbraw/zinc/84/62/15/1067846215.db2.gz GQMXMICZWXHPFL-MJGOQNOKSA-N 1 1 454.483 1.319 20 5 JDBDMO Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC001466279934 1067875113 /nfs/dbraw/zinc/87/51/13/1067875113.db2.gz CKHNTITZSLTVDN-PMACEKPBSA-N 1 1 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MBRSOWYONSSLBU-WMZOPIPTSA-N 1 1 453.565 1.827 20 5 JDBDMO CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001469648971 1068561159 /nfs/dbraw/zinc/56/11/59/1068561159.db2.gz MBRSOWYONSSLBU-FUHWJXTLSA-N 1 1 453.565 1.827 20 5 JDBDMO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC001470531095 1068776946 /nfs/dbraw/zinc/77/69/46/1068776946.db2.gz KMXKGDZTRHZQFL-OAQYLSRUSA-N 1 1 454.531 1.326 20 5 JDBDMO C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC001470531095 1068776966 /nfs/dbraw/zinc/77/69/66/1068776966.db2.gz KMXKGDZTRHZQFL-OAQYLSRUSA-N 1 1 454.531 1.326 20 5 JDBDMO Nc1c(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC001471537890 1068876773 /nfs/dbraw/zinc/87/67/73/1068876773.db2.gz LMCVTZVUKBAPHT-CQSZACIVSA-N 1 1 456.341 1.466 20 5 JDBDMO C[C@]12CN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001471736652 1068897103 /nfs/dbraw/zinc/89/71/03/1068897103.db2.gz QTMAHYXVXOCZNB-GCJKJVERSA-N 1 1 458.540 1.854 20 5 JDBDMO CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001499681537 1069041080 /nfs/dbraw/zinc/04/10/80/1069041080.db2.gz HVGCEFMYFRNYMY-LPHOPBHVSA-N 1 1 457.535 1.489 20 5 JDBDMO O=C(CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCN(c2ccccn2)CC1 ZINC001473226469 1069100407 /nfs/dbraw/zinc/10/04/07/1069100407.db2.gz VZPAJJQGXCVOLD-UHFFFAOYSA-N 1 1 452.515 1.487 20 5 JDBDMO C[C@H](CO)[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CCCC1 ZINC001473383128 1069134193 /nfs/dbraw/zinc/13/41/93/1069134193.db2.gz GRWPLQHLJFLKOE-MRXNPFEDSA-N 1 1 454.549 1.053 20 5 JDBDMO O=C(C[N@H+]1CC[C@@H](c2ccccn2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001473424162 1069146364 /nfs/dbraw/zinc/14/63/64/1069146364.db2.gz ZKMRJGJBQGOCNY-QGZVFWFLSA-N 1 1 459.528 1.312 20 5 JDBDMO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001473581822 1069186161 /nfs/dbraw/zinc/18/61/61/1069186161.db2.gz GCRLBYHTAZTDOU-HNNXBMFYSA-N 1 1 458.537 1.441 20 5 JDBDMO C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001473581822 1069186175 /nfs/dbraw/zinc/18/61/75/1069186175.db2.gz GCRLBYHTAZTDOU-HNNXBMFYSA-N 1 1 458.537 1.441 20 5 JDBDMO COc1ccc(S(=O)(=O)N2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)cc1[N+](=O)[O-] ZINC001474398148 1069244152 /nfs/dbraw/zinc/24/41/52/1069244152.db2.gz PMHCKUAWOPRMJW-UHFFFAOYSA-N 1 1 455.533 1.843 20 5 JDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001500708767 1069300428 /nfs/dbraw/zinc/30/04/28/1069300428.db2.gz ZGHUTOHHOCQGOR-HTAPYJJXSA-N 1 1 492.602 1.571 20 5 JDBDMO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001508240929 1073015180 /nfs/dbraw/zinc/01/51/80/1073015180.db2.gz PDXZFLQAAYJPEB-UHFFFAOYSA-N 1 1 457.535 1.633 20 5 JDBDMO CC(=O)N1CC[NH+](CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCn2cccn2)CC1 ZINC001508279738 1073058035 /nfs/dbraw/zinc/05/80/35/1073058035.db2.gz ZRVHFUWADXKHMR-UHFFFAOYSA-N 1 1 467.534 1.350 20 5 JDBDMO CC(=O)N1CC[NH+](CCn2c(-c3cnccn3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC001508281295 1073061183 /nfs/dbraw/zinc/06/11/83/1073061183.db2.gz YNTAOWROILKRIG-UHFFFAOYSA-N 1 1 479.545 1.486 20 5 JDBDMO CC(=O)NCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001508390224 1073200217 /nfs/dbraw/zinc/20/02/17/1073200217.db2.gz VHZYUDLDDPFGKI-UHFFFAOYSA-N 1 1 498.588 1.514 20 5 JDBDMO CC(=O)NCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001508390224 1073200229 /nfs/dbraw/zinc/20/02/29/1073200229.db2.gz VHZYUDLDDPFGKI-UHFFFAOYSA-N 1 1 498.588 1.514 20 5 JDBDMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001509436499 1073618174 /nfs/dbraw/zinc/61/81/74/1073618174.db2.gz RMUAWECISAFTGO-YLJYHZDGSA-N 1 1 471.562 1.877 20 5 JDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164745951 720859222 /nfs/dbraw/zinc/85/92/22/720859222.db2.gz DXKJRPAZNRAPEH-RCCFBDPRSA-N 1 1 455.523 1.623 20 5 JDBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164859341 720893136 /nfs/dbraw/zinc/89/31/36/720893136.db2.gz OZSGQEWOTPWUSI-SJLPKXTDSA-N 1 1 494.545 1.373 20 5 JDBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164859331 720893263 /nfs/dbraw/zinc/89/32/63/720893263.db2.gz OZSGQEWOTPWUSI-AEFFLSMTSA-N 1 1 494.545 1.373 20 5 JDBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)ccc1[N+](=O)[O-] ZINC001164931583 721890959 /nfs/dbraw/zinc/89/09/59/721890959.db2.gz FGKOZTASIOCYSD-CVEARBPZSA-N 1 1 463.535 1.414 20 5 JDBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)ccc1[N+](=O)[O-] ZINC001164931583 721890961 /nfs/dbraw/zinc/89/09/61/721890961.db2.gz FGKOZTASIOCYSD-CVEARBPZSA-N 1 1 463.535 1.414 20 5 JDBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997651 722230116 /nfs/dbraw/zinc/23/01/16/722230116.db2.gz RKXZAXKEPARZKH-UHFFFAOYSA-N 1 1 475.937 1.967 20 5 JDBDMO COc1cc2ncnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2cc1[N+](=O)[O-] ZINC001164997254 722233937 /nfs/dbraw/zinc/23/39/37/722233937.db2.gz OTKGDNGRICMPAC-UHFFFAOYSA-N 1 1 450.503 1.694 20 5 JDBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC001475102010 1069358902 /nfs/dbraw/zinc/35/89/02/1069358902.db2.gz BGBVIEHIVOAWKG-XJKSGUPXSA-N 1 1 455.537 1.766 20 5 JDBDMO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC001475245174 1069409278 /nfs/dbraw/zinc/40/92/78/1069409278.db2.gz JZZLHKFTLYYTJL-CQSZACIVSA-N 1 1 454.505 1.425 20 5 JDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC001475245174 1069409290 /nfs/dbraw/zinc/40/92/90/1069409290.db2.gz JZZLHKFTLYYTJL-CQSZACIVSA-N 1 1 454.505 1.425 20 5 JDBDMO CCN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001501397317 1069506986 /nfs/dbraw/zinc/50/69/86/1069506986.db2.gz DURSXVDSVJDFAO-QFBILLFUSA-N 1 1 457.535 1.489 20 5 JDBDMO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001477669836 1069843118 /nfs/dbraw/zinc/84/31/18/1069843118.db2.gz QXYRFUJGMPDQFX-SFHVURJKSA-N 1 1 453.565 1.969 20 5 JDBDMO CS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)c([N+](=O)[O-])c1 ZINC001477995234 1069888195 /nfs/dbraw/zinc/88/81/95/1069888195.db2.gz XSWPLFCCGJFVPK-INIZCTEOSA-N 1 1 451.549 1.314 20 5 JDBDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C ZINC001502248905 1069931081 /nfs/dbraw/zinc/93/10/81/1069931081.db2.gz DDVMYZRBZAGSOR-MOPGFXCFSA-N 1 1 484.605 1.936 20 5 JDBDMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001502283437 1070019555 /nfs/dbraw/zinc/01/95/55/1070019555.db2.gz RKQOQBUXJWINHW-HXUWFJFHSA-N 1 1 498.588 1.511 20 5 JDBDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502311483 1070079404 /nfs/dbraw/zinc/07/94/04/1070079404.db2.gz UCFOWTRPGXDLGD-GOSISDBHSA-N 1 1 470.578 1.548 20 5 JDBDMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@H](COC)OC)C2)CC1 ZINC001502334342 1070184852 /nfs/dbraw/zinc/18/48/52/1070184852.db2.gz GIUPIFXUZABVHE-NHCUHLMSSA-N 1 1 473.578 1.731 20 5 JDBDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC001502337149 1070202819 /nfs/dbraw/zinc/20/28/19/1070202819.db2.gz BQPUFGDXPLCBNR-GOSISDBHSA-N 1 1 457.583 1.490 20 5 JDBDMO CC[NH+]1CCN(CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502349430 1070269039 /nfs/dbraw/zinc/26/90/39/1070269039.db2.gz YAWBCAKZPMZIKL-DEOSSOPVSA-N 1 1 484.605 1.973 20 5 JDBDMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001493841737 1070357693 /nfs/dbraw/zinc/35/76/93/1070357693.db2.gz HOKYSOPFKFFEDR-GOSISDBHSA-N 1 1 470.578 1.548 20 5 JDBDMO CCNC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001502444440 1070432795 /nfs/dbraw/zinc/43/27/95/1070432795.db2.gz WLUQPAPGEDPCIS-QGZVFWFLSA-N 1 1 472.550 1.426 20 5 JDBDMO CCNC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001502444440 1070432835 /nfs/dbraw/zinc/43/28/35/1070432835.db2.gz WLUQPAPGEDPCIS-QGZVFWFLSA-N 1 1 472.550 1.426 20 5 JDBDMO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCN(CC[NH+](C)C)CC2)CC(=O)N1C ZINC001494228327 1070511974 /nfs/dbraw/zinc/51/19/74/1070511974.db2.gz PUNWGXKYIXJWSP-SFHVURJKSA-N 1 1 484.605 1.794 20 5 JDBDMO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC(=O)N1C ZINC001494229396 1070513122 /nfs/dbraw/zinc/51/31/22/1070513122.db2.gz YJJRRZCNJKHIKS-YLJYHZDGSA-N 1 1 471.562 1.757 20 5 JDBDMO C[C@H]1C[N@@H+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCNC(=O)CC2)CCCO1 ZINC001494517884 1070608895 /nfs/dbraw/zinc/60/88/95/1070608895.db2.gz GAVKSTPZTVUXSJ-KRWDZBQOSA-N 1 1 457.535 1.681 20 5 JDBDMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001496161004 1070832106 /nfs/dbraw/zinc/83/21/06/1070832106.db2.gz SVQWJRROOBGUHN-WMZOPIPTSA-N 1 1 471.566 1.589 20 5 JDBDMO CN(C)C(=O)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001503361907 1071578587 /nfs/dbraw/zinc/57/85/87/1071578587.db2.gz JQBWOROZYHCPHF-SFHVURJKSA-N 1 1 471.562 1.880 20 5 JDBDMO COCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001504853237 1071757250 /nfs/dbraw/zinc/75/72/50/1071757250.db2.gz AIUUXXDQIQSFRP-SFHVURJKSA-N 1 1 466.564 1.445 20 5 JDBDMO COCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001504853237 1071757264 /nfs/dbraw/zinc/75/72/64/1071757264.db2.gz AIUUXXDQIQSFRP-SFHVURJKSA-N 1 1 466.564 1.445 20 5 JDBDMO COCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C ZINC001504910925 1071865743 /nfs/dbraw/zinc/86/57/43/1071865743.db2.gz OCXAEPBGLWSRIM-DRSNIGMVSA-N 1 1 460.535 1.550 20 5 JDBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001503619482 1071908977 /nfs/dbraw/zinc/90/89/77/1071908977.db2.gz SRLJBNPMANPLLF-VQTJNVASSA-N 1 1 474.562 1.940 20 5 JDBDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001503619482 1071908990 /nfs/dbraw/zinc/90/89/90/1071908990.db2.gz SRLJBNPMANPLLF-VQTJNVASSA-N 1 1 474.562 1.940 20 5 JDBDMO CN(CCNS(C)(=O)=O)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001503621867 1071918542 /nfs/dbraw/zinc/91/85/42/1071918542.db2.gz KFOZTJKSXWEKCN-LJQANCHMSA-N 1 1 477.591 1.856 20 5 JDBDMO C[N@H+]1CC[C@@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001503676893 1072010709 /nfs/dbraw/zinc/01/07/09/1072010709.db2.gz CLUMKZBZUJCXNW-QHCPKHFHSA-N 1 1 487.561 1.977 20 5 JDBDMO CNC(=O)C(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001503690371 1072026478 /nfs/dbraw/zinc/02/64/78/1072026478.db2.gz NPGIYKKSAXYRAM-IBGZPJMESA-N 1 1 498.588 1.368 20 5 JDBDMO Cc1nc(C[NH+]2CCC(CNC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)oc1C ZINC001464841119 1067671100 /nfs/dbraw/zinc/67/11/00/1067671100.db2.gz VXHRMLQZGJDMTD-UHFFFAOYSA-N 1 1 455.471 1.824 20 5 JDBDMO Cc1nn(Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC001465028594 1067730326 /nfs/dbraw/zinc/73/03/26/1067730326.db2.gz GZURCOXNYDFBJJ-OAQYLSRUSA-N 1 1 456.547 1.593 20 5 JDBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC001465954390 1067846270 /nfs/dbraw/zinc/84/62/70/1067846270.db2.gz GQMXMICZWXHPFL-HKUYNNGSSA-N 1 1 454.483 1.319 20 5 JDBDMO CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001466927887 1067949173 /nfs/dbraw/zinc/94/91/73/1067949173.db2.gz ULVKDNAQZPWTQZ-YJBOKZPZSA-N 1 1 452.577 1.750 20 5 JDBDMO CN1CC[NH+](Cc2cccc(CNC(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)c2)CC1 ZINC001468580672 1068317673 /nfs/dbraw/zinc/31/76/73/1068317673.db2.gz CJWJECYFSIKERZ-UHFFFAOYSA-N 1 1 453.547 1.769 20 5 JDBDMO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001469217988 1068466991 /nfs/dbraw/zinc/46/69/91/1068466991.db2.gz HGMZYYLGNKPSKD-NQIIRXRSSA-N 1 1 458.540 1.996 20 5 JDBDMO C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C[N@H+]1C1CC1 ZINC001469355029 1068501567 /nfs/dbraw/zinc/50/15/67/1068501567.db2.gz REPMWMMJNOIKGE-GJZGRUSLSA-N 1 1 451.549 1.455 20 5 JDBDMO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C[N@H+]1C1CC1 ZINC001469355031 1068502345 /nfs/dbraw/zinc/50/23/45/1068502345.db2.gz REPMWMMJNOIKGE-HUUCEWRRSA-N 1 1 451.549 1.455 20 5 JDBDMO C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C[N@H+]1C1CC1 ZINC001469355033 1068502947 /nfs/dbraw/zinc/50/29/47/1068502947.db2.gz REPMWMMJNOIKGE-LSDHHAIUSA-N 1 1 451.549 1.455 20 5 JDBDMO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001471557084 1068879379 /nfs/dbraw/zinc/87/93/79/1068879379.db2.gz LFMWTLQMZHMSJR-SFHVURJKSA-N 1 1 459.528 1.796 20 5 JDBDMO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001472581210 1069034072 /nfs/dbraw/zinc/03/40/72/1069034072.db2.gz NJDXSSGODFQYDH-OAHLLOKOSA-N 1 1 454.549 1.699 20 5 JDBDMO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[N@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001472581210 1069034092 /nfs/dbraw/zinc/03/40/92/1069034092.db2.gz NJDXSSGODFQYDH-OAHLLOKOSA-N 1 1 454.549 1.699 20 5 JDBDMO C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC001472788788 1069046702 /nfs/dbraw/zinc/04/67/02/1069046702.db2.gz PRCCJJBFSNOKMA-KRWDZBQOSA-N 1 1 451.593 1.842 20 5 JDBDMO CCOc1cc(N2CC[NH+](C[C@@H](O)CN3C(=O)c4ccccc4C3=O)CC2)ccc1[N+](=O)[O-] ZINC001473437661 1069148850 /nfs/dbraw/zinc/14/88/50/1069148850.db2.gz KFOWHYOFRLKIJR-QGZVFWFLSA-N 1 1 454.483 1.773 20 5 JDBDMO CC(C)[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCO1 ZINC001473500894 1069168551 /nfs/dbraw/zinc/16/85/51/1069168551.db2.gz PIAOBJNMAJQKHP-IBGZPJMESA-N 1 1 454.549 1.175 20 5 JDBDMO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001473559863 1069182290 /nfs/dbraw/zinc/18/22/90/1069182290.db2.gz MNVXFMQSTAVSRO-UHFFFAOYSA-N 1 1 456.546 1.255 20 5 JDBDMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001473559863 1069182303 /nfs/dbraw/zinc/18/23/03/1069182303.db2.gz MNVXFMQSTAVSRO-UHFFFAOYSA-N 1 1 456.546 1.255 20 5 JDBDMO O=C(C[N@H+]1CCCC[C@@]12CCOC2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001473895298 1069236868 /nfs/dbraw/zinc/23/68/68/1069236868.db2.gz GJOHQWKROFXNQH-FQEVSTJZSA-N 1 1 452.533 1.073 20 5 JDBDMO CC(=O)N1CC[NH+](CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001508276688 1073048629 /nfs/dbraw/zinc/04/86/29/1073048629.db2.gz NGHQAOFCYNRYFE-UHFFFAOYSA-N 1 1 498.588 1.322 20 5 JDBDMO CC(=O)NCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001508360315 1073127385 /nfs/dbraw/zinc/12/73/85/1073127385.db2.gz GUMGQZRKRLEJPG-QGZVFWFLSA-N 1 1 471.562 1.927 20 5 JDBDMO CC(=O)NCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001508360312 1073127517 /nfs/dbraw/zinc/12/75/17/1073127517.db2.gz GUMGQZRKRLEJPG-KRWDZBQOSA-N 1 1 471.562 1.927 20 5 JDBDMO CC(C)C(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001508769013 1073362337 /nfs/dbraw/zinc/36/23/37/1073362337.db2.gz ONXWTLJVNVQYFC-SFHVURJKSA-N 1 1 471.562 1.879 20 5 JDBDMO CC(C)C(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001508769013 1073362347 /nfs/dbraw/zinc/36/23/47/1073362347.db2.gz ONXWTLJVNVQYFC-SFHVURJKSA-N 1 1 471.562 1.879 20 5 JDBDMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001509433111 1073611758 /nfs/dbraw/zinc/61/17/58/1073611758.db2.gz IKZHXYHYPKBAQI-AZUAARDMSA-N 1 1 471.562 1.912 20 5 JDBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C2)C1 ZINC001164722239 720300413 /nfs/dbraw/zinc/30/04/13/720300413.db2.gz OVURULCEHFFRER-QFIPXVFZSA-N 1 1 458.494 1.856 20 5 JDBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C2)C1 ZINC001164722239 720300422 /nfs/dbraw/zinc/30/04/22/720300422.db2.gz OVURULCEHFFRER-QFIPXVFZSA-N 1 1 458.494 1.856 20 5 JDBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164859338 720893415 /nfs/dbraw/zinc/89/34/15/720893415.db2.gz OZSGQEWOTPWUSI-FUHWJXTLSA-N 1 1 494.545 1.373 20 5 JDBDMO CCOC(=O)c1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164890560 721384892 /nfs/dbraw/zinc/38/48/92/721384892.db2.gz 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XLADMJSIBDZGLN-MOPGFXCFSA-N 1 1 451.549 1.628 20 5 JDBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001478892431 1070063915 /nfs/dbraw/zinc/06/39/15/1070063915.db2.gz XLADMJSIBDZGLN-RTBURBONSA-N 1 1 451.549 1.628 20 5 JDBDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001502311423 1070080111 /nfs/dbraw/zinc/08/01/11/1070080111.db2.gz SDLHZNOZJMSMCT-RXVVDRJESA-N 1 1 484.605 1.984 20 5 JDBDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001502311421 1070079094 /nfs/dbraw/zinc/07/90/94/1070079094.db2.gz SDLHZNOZJMSMCT-GHTZIAJQSA-N 1 1 484.605 1.984 20 5 JDBDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001502311424 1070079965 /nfs/dbraw/zinc/07/99/65/1070079965.db2.gz SDLHZNOZJMSMCT-WIYYLYMNSA-N 1 1 484.605 1.984 20 5 JDBDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502311115 1070078217 /nfs/dbraw/zinc/07/82/17/1070078217.db2.gz MWXOGRDZPLZFSK-ROUUACIJSA-N 1 1 472.594 1.698 20 5 JDBDMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@@H](COC)OC)C2)CC1 ZINC001502334344 1070185679 /nfs/dbraw/zinc/18/56/79/1070185679.db2.gz GIUPIFXUZABVHE-SFTDATJTSA-N 1 1 473.578 1.731 20 5 JDBDMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCC(=O)N(C)C)C2)CC1 ZINC001502334783 1070190373 /nfs/dbraw/zinc/19/03/73/1070190373.db2.gz QPYSJHXPXRFXBO-FQEVSTJZSA-N 1 1 470.578 1.548 20 5 JDBDMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC001502337150 1070202576 /nfs/dbraw/zinc/20/25/76/1070202576.db2.gz BQPUFGDXPLCBNR-SFHVURJKSA-N 1 1 457.583 1.490 20 5 JDBDMO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCC[C@H]2CO)CC(=O)N1C ZINC001494229394 1070513500 /nfs/dbraw/zinc/51/35/00/1070513500.db2.gz YJJRRZCNJKHIKS-PXNSSMCTSA-N 1 1 471.562 1.757 20 5 JDBDMO C[C@@H]1C[N@@H+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCNC(=O)CC2)CCCO1 ZINC001494517886 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COCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001504912223 1071870006 /nfs/dbraw/zinc/87/00/06/1071870006.db2.gz ZRFMXICTTXUTGZ-LPHOPBHVSA-N 1 1 471.562 1.925 20 5 JDBDMO CN(CCNS(C)(=O)=O)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001503621865 1071918747 /nfs/dbraw/zinc/91/87/47/1071918747.db2.gz KFOZTJKSXWEKCN-IBGZPJMESA-N 1 1 477.591 1.856 20 5 JDBDMO CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503676796 1072009323 /nfs/dbraw/zinc/00/93/23/1072009323.db2.gz ATRXRHHCIHOQMF-JOCHJYFZSA-N 1 1 460.535 1.755 20 5 JDBDMO COCCOC[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001505040018 1072136080 /nfs/dbraw/zinc/13/60/80/1072136080.db2.gz PBONMIRFLPKMOW-JTSKRJEESA-N 1 1 460.535 1.409 20 5 JDBDMO CS(=O)(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001505138598 1072333161 /nfs/dbraw/zinc/33/31/61/1072333161.db2.gz RXZQVRNBMWKPEN-UHFFFAOYSA-N 1 1 461.548 1.197 20 5 JDBDMO C[NH+]1CCN([C@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c2cccs2)CC1 ZINC001464888246 1067685080 /nfs/dbraw/zinc/68/50/80/1067685080.db2.gz ODAXEOILSXEJPZ-QGZVFWFLSA-N 1 1 452.558 1.778 20 5 JDBDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])CC2)CC1 ZINC001464913636 1067701086 /nfs/dbraw/zinc/70/10/86/1067701086.db2.gz YABVRDCBYPIFRO-UHFFFAOYSA-N 1 1 459.425 1.661 20 5 JDBDMO Cc1nn(Cc2ccc(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC001465028569 1067730456 /nfs/dbraw/zinc/73/04/56/1067730456.db2.gz GZURCOXNYDFBJJ-NRFANRHFSA-N 1 1 456.547 1.593 20 5 JDBDMO CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC001466927886 1067948768 /nfs/dbraw/zinc/94/87/68/1067948768.db2.gz ULVKDNAQZPWTQZ-QAPCUYQASA-N 1 1 452.577 1.750 20 5 JDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)C2 ZINC001468184059 1068198122 /nfs/dbraw/zinc/19/81/22/1068198122.db2.gz VDSGTZXYGSOGKP-UTKZUKDTSA-N 1 1 450.561 1.940 20 5 JDBDMO Cc1cc(OCC(=O)N(C)CC[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)ccc1[N+](=O)[O-] ZINC001468608322 1068323502 /nfs/dbraw/zinc/32/35/02/1068323502.db2.gz RRJHDMUZEATHPI-UHFFFAOYSA-N 1 1 454.483 1.968 20 5 JDBDMO C[C@@H](NC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001468967902 1068408534 /nfs/dbraw/zinc/40/85/34/1068408534.db2.gz LHJKOVMNKOPFSV-XUFNMVPLSA-N 1 1 458.515 1.578 20 5 JDBDMO C[C@@H](NC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001468967902 1068408554 /nfs/dbraw/zinc/40/85/54/1068408554.db2.gz LHJKOVMNKOPFSV-XUFNMVPLSA-N 1 1 458.515 1.578 20 5 JDBDMO CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001499681536 1069040937 /nfs/dbraw/zinc/04/09/37/1069040937.db2.gz HVGCEFMYFRNYMY-APWZRJJASA-N 1 1 457.535 1.489 20 5 JDBDMO CCN(CC)S(=O)(=O)c1ccc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC001472737514 1069045572 /nfs/dbraw/zinc/04/55/72/1069045572.db2.gz LPPHROQIBZAJOT-SFHVURJKSA-N 1 1 453.565 1.544 20 5 JDBDMO CC(C)(C)C[N@@H+](CCCO)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001473156398 1069084275 /nfs/dbraw/zinc/08/42/75/1069084275.db2.gz VGGOJBPXPZZDKH-UHFFFAOYSA-N 1 1 456.565 1.158 20 5 JDBDMO O=C(C[N@H+]1CC[C@H](c2ccccn2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001473424161 1069146726 /nfs/dbraw/zinc/14/67/26/1069146726.db2.gz ZKMRJGJBQGOCNY-KRWDZBQOSA-N 1 1 459.528 1.312 20 5 JDBDMO O=C(CN1CCOCC1)N1CCN(CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001474410798 1069244604 /nfs/dbraw/zinc/24/46/04/1069244604.db2.gz PMHQPRSCFPVYPN-UHFFFAOYSA-N 1 1 459.591 1.326 20 5 JDBDMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N(C)C)C[C@H](C)O1 ZINC001505288545 1072471209 /nfs/dbraw/zinc/47/12/09/1072471209.db2.gz WXMPACSJRBVOEC-CALCHBBNSA-N 1 1 459.551 1.877 20 5 JDBDMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N(C)C)C[C@H](C)O1 ZINC001505288545 1072471212 /nfs/dbraw/zinc/47/12/12/1072471212.db2.gz WXMPACSJRBVOEC-CALCHBBNSA-N 1 1 459.551 1.877 20 5 JDBDMO CC(=O)N1CC[NH+](CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H]2CCOC2)CC1 ZINC001508276336 1073048202 /nfs/dbraw/zinc/04/82/02/1073048202.db2.gz LSHFWDCYEADFID-GOSISDBHSA-N 1 1 457.535 1.490 20 5 JDBDMO CC(C)C(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001508769012 1073362645 /nfs/dbraw/zinc/36/26/45/1073362645.db2.gz ONXWTLJVNVQYFC-GOSISDBHSA-N 1 1 471.562 1.879 20 5 JDBDMO CC(C)C(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001508769012 1073362655 /nfs/dbraw/zinc/36/26/55/1073362655.db2.gz ONXWTLJVNVQYFC-GOSISDBHSA-N 1 1 471.562 1.879 20 5 JDBDMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001509436495 1073617821 /nfs/dbraw/zinc/61/78/21/1073617821.db2.gz RMUAWECISAFTGO-PXNSSMCTSA-N 1 1 471.562 1.877 20 5 JDBDMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001509436494 1073618138 /nfs/dbraw/zinc/61/81/38/1073618138.db2.gz RMUAWECISAFTGO-FXAWDEMLSA-N 1 1 471.562 1.877 20 5 JDBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C2)C1 ZINC001164722236 720301701 /nfs/dbraw/zinc/30/17/01/720301701.db2.gz OVURULCEHFFRER-JOCHJYFZSA-N 1 1 458.494 1.856 20 5 JDBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C2)C1 ZINC001164722236 720301710 /nfs/dbraw/zinc/30/17/10/720301710.db2.gz OVURULCEHFFRER-JOCHJYFZSA-N 1 1 458.494 1.856 20 5 JDBDMO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn1)C2 ZINC001164828894 720469657 /nfs/dbraw/zinc/46/96/57/720469657.db2.gz BYVLNYOFPUSVOU-HMECNJMJSA-N 1 1 471.562 1.708 20 5 JDBDMO COC(=O)c1nc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164984315 722105743 /nfs/dbraw/zinc/10/57/43/722105743.db2.gz SKQIUKUXJWBWLO-GJZGRUSLSA-N 1 1 462.894 1.947 20 5 JDBDMO CSc1nc(Cl)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1[N+](=O)[O-] ZINC001164997772 722234544 /nfs/dbraw/zinc/23/45/44/722234544.db2.gz WHJWPWULMPCMDE-UHFFFAOYSA-N 1 1 450.956 1.907 20 5 JDBDMO