smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001501401018 1069509611 /nfs/dbraw/zinc/50/96/11/1069509611.db2.gz DFJCXKOXBXHGCT-KRWDZBQOSA-N 1 0 457.535 1.490 20 5 JDBDRO CCN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001501401019 1069510494 /nfs/dbraw/zinc/51/04/94/1069510494.db2.gz DFJCXKOXBXHGCT-QGZVFWFLSA-N 1 0 457.535 1.490 20 5 JDBDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cc(C)nn2C)CC1 ZINC001501901141 1069763530 /nfs/dbraw/zinc/76/35/30/1069763530.db2.gz FYMNBHDBFANJJH-UHFFFAOYSA-N 1 0 495.588 1.934 20 5 JDBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCCN3C(=O)c4ccccc4C3=O)c2)CC1 ZINC001477129878 1069802290 /nfs/dbraw/zinc/80/22/90/1069802290.db2.gz VMUUEKGTXQOKOO-UHFFFAOYSA-N 1 0 452.471 1.764 20 5 JDBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC001477592575 1069836011 /nfs/dbraw/zinc/83/60/11/1069836011.db2.gz UTLCUDOYMIXWPB-UHFFFAOYSA-N 1 0 453.565 1.827 20 5 JDBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001477865718 1069870365 /nfs/dbraw/zinc/87/03/65/1069870365.db2.gz UIATXKIQHCLLTG-MRXNPFEDSA-N 1 0 453.565 1.704 20 5 JDBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001477865717 1069870500 /nfs/dbraw/zinc/87/05/00/1069870500.db2.gz UIATXKIQHCLLTG-INIZCTEOSA-N 1 0 453.565 1.704 20 5 JDBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001502248906 1069930247 /nfs/dbraw/zinc/93/02/47/1069930247.db2.gz DDVMYZRBZAGSOR-OALUTQOASA-N 1 0 484.605 1.936 20 5 JDBDRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001502270954 1069990772 /nfs/dbraw/zinc/99/07/72/1069990772.db2.gz WKSABMWZJZWFAT-CVEARBPZSA-N 1 0 477.591 1.701 20 5 JDBDRO CC[N@@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001502270957 1069992347 /nfs/dbraw/zinc/99/23/47/1069992347.db2.gz WKSABMWZJZWFAT-JKSUJKDBSA-N 1 0 477.591 1.701 20 5 JDBDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001502283430 1070018641 /nfs/dbraw/zinc/01/86/41/1070018641.db2.gz RJPVLPSFBNOZQL-VQTJNVASSA-N 1 0 457.535 1.679 20 5 JDBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001478892430 1070063640 /nfs/dbraw/zinc/06/36/40/1070063640.db2.gz XLADMJSIBDZGLN-RBUKOAKNSA-N 1 0 451.549 1.628 20 5 JDBDRO 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 1070170086 /nfs/dbraw/zinc/17/00/86/1070170086.db2.gz VSHOEHOQHMBHTG-XIRDDKMYSA-N 1 0 451.549 1.170 20 5 JDBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC[NH+](CCN(C)C)CC2)CC(=O)N1C ZINC001494228326 1070511700 /nfs/dbraw/zinc/51/17/00/1070511700.db2.gz PUNWGXKYIXJWSP-GOSISDBHSA-N 1 0 484.605 1.794 20 5 JDBDRO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC(=O)N1C ZINC001494229393 1070513317 /nfs/dbraw/zinc/51/33/17/1070513317.db2.gz YJJRRZCNJKHIKS-FXAWDEMLSA-N 1 0 471.562 1.757 20 5 JDBDRO COC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001504712751 1071570659 /nfs/dbraw/zinc/57/06/59/1071570659.db2.gz JNRZTCHZKYWKKC-FQEVSTJZSA-N 1 0 473.578 1.731 20 5 JDBDRO C[NH+](C)CC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001503391500 1071651546 /nfs/dbraw/zinc/65/15/46/1071651546.db2.gz NFKJOWQPZIIHFI-UHFFFAOYSA-N 1 0 485.593 1.732 20 5 JDBDRO C[NH+](C)CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001503401582 1071664554 /nfs/dbraw/zinc/66/45/54/1071664554.db2.gz BRQSKYBUKUURKB-FQEVSTJZSA-N 1 0 487.561 1.259 20 5 JDBDRO C[NH+](C)CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001503401584 1071664690 /nfs/dbraw/zinc/66/46/90/1071664690.db2.gz BRQSKYBUKUURKB-HXUWFJFHSA-N 1 0 487.561 1.259 20 5 JDBDRO COCC[N@H+](C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001504849013 1071744470 /nfs/dbraw/zinc/74/44/70/1071744470.db2.gz OPGPRVZOQDETDJ-LJQANCHMSA-N 1 0 457.535 1.633 20 5 JDBDRO COCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001504853548 1071759093 /nfs/dbraw/zinc/75/90/93/1071759093.db2.gz FEZNBVODWBHOER-RTBURBONSA-N 1 0 457.535 1.679 20 5 JDBDRO COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)C[NH+]2CCCC2)CC1=O ZINC001504911427 1071867636 /nfs/dbraw/zinc/86/76/36/1071867636.db2.gz UEJCNPGCLUWSGU-GOSISDBHSA-N 1 0 471.562 1.880 20 5 JDBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001504912225 1071870211 /nfs/dbraw/zinc/87/02/11/1071870211.db2.gz ZRFMXICTTXUTGZ-QFBILLFUSA-N 1 0 471.562 1.925 20 5 JDBDRO CN(CCS(C)(=O)=O)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001503635397 1071947042 /nfs/dbraw/zinc/94/70/42/1071947042.db2.gz MBOUXTCIWLJDFY-UHFFFAOYSA-N 1 0 479.607 1.360 20 5 JDBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001465954391 1067846147 /nfs/dbraw/zinc/84/61/47/1067846147.db2.gz GQMXMICZWXHPFL-IEBWSBKVSA-N 1 0 454.483 1.319 20 5 JDBDRO C[C@@H]1CN(C(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001466081309 1067857188 /nfs/dbraw/zinc/85/71/88/1067857188.db2.gz AUGGBYWHYKLYFD-RHSMWYFYSA-N 1 0 451.474 1.518 20 5 JDBDRO CC[NH+](CC)CCN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@@H]1CCS(=O)(=O)C1 ZINC001466156537 1067865362 /nfs/dbraw/zinc/86/53/62/1067865362.db2.gz DUCYDOMLAHWSOZ-BEFAXECRSA-N 1 0 452.533 1.445 20 5 JDBDRO CC[NH+](CC)CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@@H]1CCS(=O)(=O)C1 ZINC001466158827 1067865785 /nfs/dbraw/zinc/86/57/85/1067865785.db2.gz XHNZLXZGVHZNOY-LLVKDONJSA-N 1 0 450.920 1.941 20 5 JDBDRO CC[NH+](CC)CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@H]1CCS(=O)(=O)C1 ZINC001466158828 1067866031 /nfs/dbraw/zinc/86/60/31/1067866031.db2.gz XHNZLXZGVHZNOY-NSHDSACASA-N 1 0 450.920 1.941 20 5 JDBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC001466279937 1067875046 /nfs/dbraw/zinc/87/50/46/1067875046.db2.gz CKHNTITZSLTVDN-WOJBJXKFSA-N 1 0 457.531 1.273 20 5 JDBDRO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001466882609 1067940351 /nfs/dbraw/zinc/94/03/51/1067940351.db2.gz NWEJYCFSNIQXJU-INIZCTEOSA-N 1 0 456.565 1.947 20 5 JDBDRO CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC001466927884 1067949404 /nfs/dbraw/zinc/94/94/04/1067949404.db2.gz ULVKDNAQZPWTQZ-CRAIPNDOSA-N 1 0 452.577 1.750 20 5 JDBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCC[C@]4(CCS(=O)(=O)C4)C3)c2)CC1 ZINC001467371839 1068009369 /nfs/dbraw/zinc/00/93/69/1068009369.db2.gz FRUSLTWZFITKHS-FQEVSTJZSA-N 1 0 451.549 1.779 20 5 JDBDRO CCC1([NH+]2CCCC2)CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001468233975 1068210436 /nfs/dbraw/zinc/21/04/36/1068210436.db2.gz UWFFSJLVCDSMGH-UHFFFAOYSA-N 1 0 453.565 1.923 20 5 JDBDRO CC1([NH+]2CCCCC2)CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001468232640 1068211221 /nfs/dbraw/zinc/21/12/21/1068211221.db2.gz IOVNWBQWLXIYQL-UHFFFAOYSA-N 1 0 453.565 1.923 20 5 JDBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001469253380 1068476721 /nfs/dbraw/zinc/47/67/21/1068476721.db2.gz MHWFSPHOKZRLNF-IAGOWNOFSA-N 1 0 454.549 1.223 20 5 JDBDRO CC(C)C[N@H+](C)CCCNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001470700964 1068804331 /nfs/dbraw/zinc/80/43/31/1068804331.db2.gz LCZFBAXWGJKTLQ-UHFFFAOYSA-N 1 0 455.581 1.808 20 5 JDBDRO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC001471317979 1068853032 /nfs/dbraw/zinc/85/30/32/1068853032.db2.gz UXWGHIHOYOJCGW-HNNXBMFYSA-N 1 0 454.549 1.610 20 5 JDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001472700806 1069044028 /nfs/dbraw/zinc/04/40/28/1069044028.db2.gz WBKMFMTVULRVPT-INIZCTEOSA-N 1 0 454.549 1.529 20 5 JDBDRO CCN(CC)S(=O)(=O)c1ccc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC001472737513 1069045476 /nfs/dbraw/zinc/04/54/76/1069045476.db2.gz LPPHROQIBZAJOT-GOSISDBHSA-N 1 0 453.565 1.544 20 5 JDBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C[C@@H]1[NH+]1CCCC1 ZINC001472762355 1069046473 /nfs/dbraw/zinc/04/64/73/1069046473.db2.gz KPHRDYRUPFTNMM-ZWKOTPCHSA-N 1 0 456.590 1.632 20 5 JDBDRO C[C@H]1CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC001472788789 1069046959 /nfs/dbraw/zinc/04/69/59/1069046959.db2.gz PRCCJJBFSNOKMA-QGZVFWFLSA-N 1 0 451.593 1.842 20 5 JDBDRO COC(=O)[C@H]1CN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC001472809381 1069047732 /nfs/dbraw/zinc/04/77/32/1069047732.db2.gz GYNVCSOKWRACET-MRXNPFEDSA-N 1 0 454.549 1.701 20 5 JDBDRO COC(=O)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC001472809380 1069048159 /nfs/dbraw/zinc/04/81/59/1069048159.db2.gz GYNVCSOKWRACET-INIZCTEOSA-N 1 0 454.549 1.701 20 5 JDBDRO CN1CC[NH+](CC2CN(c3ccc(S(=O)(=O)N4CCCCCC4)cc3[N+](=O)[O-])C2)CC1 ZINC001472820446 1069048744 /nfs/dbraw/zinc/04/87/44/1069048744.db2.gz IOGVOHJDCJOJSN-UHFFFAOYSA-N 1 0 451.593 1.843 20 5 JDBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1(C)C ZINC001473485378 1069163221 /nfs/dbraw/zinc/16/32/21/1069163221.db2.gz YKWWMNYLZLDQSC-MDASCCDHSA-N 1 0 454.549 1.077 20 5 JDBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1(C)C ZINC001473485382 1069163276 /nfs/dbraw/zinc/16/32/76/1069163276.db2.gz YKWWMNYLZLDQSC-ZOCIIQOWSA-N 1 0 454.549 1.077 20 5 JDBDRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccc(Br)cc1 ZINC001473571176 1069183334 /nfs/dbraw/zinc/18/33/34/1069183334.db2.gz WVFYYRNEIRKEPY-YESZJQIVSA-N 1 0 453.293 1.803 20 5 JDBDRO CS(=O)(=O)N1CCC(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC001474100049 1069240681 /nfs/dbraw/zinc/24/06/81/1069240681.db2.gz JAMKDKNZFFRGTI-UHFFFAOYSA-N 1 0 453.302 1.961 20 5 JDBDRO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCCC2)CCN1S(C)(=O)=O ZINC001505281322 1072453285 /nfs/dbraw/zinc/45/32/85/1072453285.db2.gz YVFQWQVFUKAGRY-INIZCTEOSA-N 1 0 463.564 1.419 20 5 JDBDRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001508316547 1073077673 /nfs/dbraw/zinc/07/76/73/1073077673.db2.gz PNFTZKVWYXTGKL-LJQANCHMSA-N 1 0 471.562 1.805 20 5 JDBDRO CC(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001509572015 1073691096 /nfs/dbraw/zinc/69/10/96/1073691096.db2.gz HPUUCTKEQXWQCI-LJQANCHMSA-N 1 0 477.591 1.808 20 5 JDBDRO CCOC(=O)C(C(=O)OCC)c1nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001164680286 719653509 /nfs/dbraw/zinc/65/35/09/719653509.db2.gz DXYSNLDHHIMYSG-UHFFFAOYSA-N 1 0 488.545 1.871 20 5 JDBDRO COC(=O)c1nc(Cl)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001164711216 720172321 /nfs/dbraw/zinc/17/23/21/720172321.db2.gz AAXSSBGFAJGAFE-CYBMUJFWSA-N 1 0 480.913 1.170 20 5 JDBDRO COC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164821065 720302872 /nfs/dbraw/zinc/30/28/72/720302872.db2.gz JIPRCCVRDKKIRH-UONOGXRCSA-N 1 0 466.926 1.736 20 5 JDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001164733003 720536466 /nfs/dbraw/zinc/53/64/66/720536466.db2.gz AEFFYXNSVNWUKR-HNNXBMFYSA-N 1 0 474.518 1.594 20 5 JDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164859344 720892993 /nfs/dbraw/zinc/89/29/93/720892993.db2.gz OZSGQEWOTPWUSI-WMZOPIPTSA-N 1 0 494.545 1.373 20 5 JDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164868910 721263586 /nfs/dbraw/zinc/26/35/86/721263586.db2.gz GIVCWJIWUZIRFZ-UHFFFAOYSA-N 1 0 458.972 1.767 20 5 JDBDRO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C2)C1 ZINC001164777272 721339028 /nfs/dbraw/zinc/33/90/28/721339028.db2.gz FFSSTXPWAWLQHP-QHCPKHFHSA-N 1 0 486.577 1.518 20 5 JDBDRO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C2)C1 ZINC001164779509 721377215 /nfs/dbraw/zinc/37/72/15/721377215.db2.gz AZYREHQKQYNOQX-JOCHJYFZSA-N 1 0 457.535 1.795 20 5 JDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001164931585 721890785 /nfs/dbraw/zinc/89/07/85/721890785.db2.gz FGKOZTASIOCYSD-HZPDHXFCSA-N 1 0 463.535 1.414 20 5 JDBDRO COC(=O)c1nc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164984317 722105689 /nfs/dbraw/zinc/10/56/89/722105689.db2.gz SKQIUKUXJWBWLO-LSDHHAIUSA-N 1 0 462.894 1.947 20 5 JDBDRO Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc(N5CC[NH2+]CC5)c4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164990800 722177302 /nfs/dbraw/zinc/17/73/02/722177302.db2.gz WKJREUIGNGUNKP-QZTJIDSGSA-N 1 0 474.591 1.429 20 5 JDBDRO O=C1OCCN1c1ccc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC001474978513 1069325114 /nfs/dbraw/zinc/32/51/14/1069325114.db2.gz JWSGLJDQHGNLHG-HNNXBMFYSA-N 1 0 454.505 1.473 20 5 JDBDRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001501800016 1069726957 /nfs/dbraw/zinc/72/69/57/1069726957.db2.gz BWHSFRGPXFVTFR-AEFFLSMTSA-N 1 0 471.566 1.589 20 5 JDBDRO COCCNC(=O)[C@H](CC(C)C)NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001477130876 1069802713 /nfs/dbraw/zinc/80/27/13/1069802713.db2.gz XKMMAYYZVKWQKU-SFHVURJKSA-N 1 0 450.540 1.645 20 5 JDBDRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001501981517 1069810866 /nfs/dbraw/zinc/81/08/66/1069810866.db2.gz XBONZOCBVLFOLD-WBVHZDCISA-N 1 0 459.555 1.906 20 5 JDBDRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001501981515 1069810906 /nfs/dbraw/zinc/81/09/06/1069810906.db2.gz XBONZOCBVLFOLD-NVXWUHKLSA-N 1 0 459.555 1.906 20 5 JDBDRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001502270955 1069992623 /nfs/dbraw/zinc/99/26/23/1069992623.db2.gz WKSABMWZJZWFAT-HOTGVXAUSA-N 1 0 477.591 1.701 20 5 JDBDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001502283428 1070018364 /nfs/dbraw/zinc/01/83/64/1070018364.db2.gz RJPVLPSFBNOZQL-PMACEKPBSA-N 1 0 457.535 1.679 20 5 JDBDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502311116 1070077955 /nfs/dbraw/zinc/07/79/55/1070077955.db2.gz MWXOGRDZPLZFSK-ZWKOTPCHSA-N 1 0 472.594 1.698 20 5 JDBDRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@@H](COC)OC)C2)CC1 ZINC001502334343 1070185485 /nfs/dbraw/zinc/18/54/85/1070185485.db2.gz GIUPIFXUZABVHE-RTWAWAEBSA-N 1 0 473.578 1.731 20 5 JDBDRO CCN1CC[NH+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001502354594 1070281494 /nfs/dbraw/zinc/28/14/94/1070281494.db2.gz LAOOXZABZIKVIQ-IBGZPJMESA-N 1 0 484.605 1.938 20 5 JDBDRO CC[NH+]1CCN(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS(=O)CC2)CC1 ZINC001502354702 1070282433 /nfs/dbraw/zinc/28/24/33/1070282433.db2.gz MXZOZMQMJVCCTF-UHFFFAOYSA-N 1 0 461.592 1.450 20 5 JDBDRO CCN1CC[NH+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502355111 1070285474 /nfs/dbraw/zinc/28/54/74/1070285474.db2.gz SPDXDYOVTVFEAX-XMMPIXPASA-N 1 0 484.605 1.843 20 5 JDBDRO CCO[C@]1(c2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001502652474 1070725249 /nfs/dbraw/zinc/72/52/49/1070725249.db2.gz YMBQYGCFPMBOLJ-XZOQPEGZSA-N 1 0 474.562 1.584 20 5 JDBDRO CCO[C@@]1(c2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001502652473 1070725300 /nfs/dbraw/zinc/72/53/00/1070725300.db2.gz YMBQYGCFPMBOLJ-PKTZIBPZSA-N 1 0 474.562 1.584 20 5 JDBDRO CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001496161001 1070831860 /nfs/dbraw/zinc/83/18/60/1070831860.db2.gz SVQWJRROOBGUHN-AEFFLSMTSA-N 1 0 471.566 1.589 20 5 JDBDRO CCOCCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001503227387 1071196495 /nfs/dbraw/zinc/19/64/95/1071196495.db2.gz ZNXNKNHDNHOZHB-UGKGYDQZSA-N 1 0 460.535 1.552 20 5 JDBDRO COCC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001504532548 1071324258 /nfs/dbraw/zinc/32/42/58/1071324258.db2.gz ZLUPUHPXJNBCEV-JOCHJYFZSA-N 1 0 489.602 1.586 20 5 JDBDRO CCS(=O)(=O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001503280274 1071419834 /nfs/dbraw/zinc/41/98/34/1071419834.db2.gz KTFABDAMIDIQMF-UHFFFAOYSA-N 1 0 465.580 1.571 20 5 JDBDRO COC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([NH+](C)C)CCOCC2)CCO1 ZINC001504712753 1071570593 /nfs/dbraw/zinc/57/05/93/1071570593.db2.gz JPZNTNGRPMVODP-IBGZPJMESA-N 1 0 460.535 1.816 20 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1.634 20 5 JDBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCOC[C@H]2C)C[C@H]1C ZINC001504909565 1071861627 /nfs/dbraw/zinc/86/16/27/1071861627.db2.gz BEFMETUBWCSBHY-RTBURBONSA-N 1 0 473.578 1.731 20 5 JDBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCOC[C@@H]2C)C[C@H]1C ZINC001504909562 1071861678 /nfs/dbraw/zinc/86/16/78/1071861678.db2.gz BEFMETUBWCSBHY-MOPGFXCFSA-N 1 0 473.578 1.731 20 5 JDBDRO C[N@@H+]1CC[C@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001503676892 1072009849 /nfs/dbraw/zinc/00/98/49/1072009849.db2.gz CLUMKZBZUJCXNW-HSZRJFAPSA-N 1 0 487.561 1.977 20 5 JDBDRO CC(=O)N1CCN(c2ccc(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)cc2[N+](=O)[O-])CC1 ZINC001465266625 1067770051 /nfs/dbraw/zinc/77/00/51/1067770051.db2.gz SBPROPJPLJLWOF-GOSISDBHSA-N 1 0 459.547 1.494 20 5 JDBDRO C[NH+]1CCN(Cc2ccc(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)cc2)CC1 ZINC001465321056 1067779870 /nfs/dbraw/zinc/77/98/70/1067779870.db2.gz GSQOKWAPKRIYBB-UHFFFAOYSA-N 1 0 451.527 1.940 20 5 JDBDRO COC1CC[NH+](CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001465578147 1067812465 /nfs/dbraw/zinc/81/24/65/1067812465.db2.gz ZBZGASKEZKJCDP-MRXNPFEDSA-N 1 0 454.549 1.223 20 5 JDBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC001465954392 1067846214 /nfs/dbraw/zinc/84/62/14/1067846214.db2.gz GQMXMICZWXHPFL-MJGOQNOKSA-N 1 0 454.483 1.319 20 5 JDBDRO CC[NH+](CC)CCN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@@H]1CCS(=O)(=O)C1 ZINC001466156539 1067865384 /nfs/dbraw/zinc/86/53/84/1067865384.db2.gz DUCYDOMLAHWSOZ-DNVCBOLYSA-N 1 0 452.533 1.445 20 5 JDBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC001466279934 1067875111 /nfs/dbraw/zinc/87/51/11/1067875111.db2.gz CKHNTITZSLTVDN-PMACEKPBSA-N 1 0 457.531 1.273 20 5 JDBDRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 ZINC001466767866 1067917124 /nfs/dbraw/zinc/91/71/24/1067917124.db2.gz AYPVXKWELBXGGP-UHFFFAOYSA-N 1 0 458.500 1.873 20 5 JDBDRO CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001466927885 1067948966 /nfs/dbraw/zinc/94/89/66/1067948966.db2.gz ULVKDNAQZPWTQZ-MAUKXSAKSA-N 1 0 452.577 1.750 20 5 JDBDRO CN(C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001467372697 1068009397 /nfs/dbraw/zinc/00/93/97/1068009397.db2.gz UCLUXRHOMPTGSQ-MRXNPFEDSA-N 1 0 458.441 1.974 20 5 JDBDRO CN1CCC([NH+]2CCC(NC(=O)N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)CC2)CC1 ZINC001468411714 1068272227 /nfs/dbraw/zinc/27/22/27/1068272227.db2.gz VLMVXLQXPOISGN-UHFFFAOYSA-N 1 0 458.563 1.621 20 5 JDBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1=O ZINC001468669787 1068343985 /nfs/dbraw/zinc/34/39/85/1068343985.db2.gz KYUNHLLIBGZAFV-CYBMUJFWSA-N 1 0 457.325 1.575 20 5 JDBDRO C[C@H](NC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)C(C)(C)C[NH+](C)C ZINC001469311655 1068492179 /nfs/dbraw/zinc/49/21/79/1068492179.db2.gz 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QTMAHYXVXOCZNB-GCJKJVERSA-N 1 0 458.540 1.854 20 5 JDBDRO CN1CCN(S(=O)(=O)c2ccc(N3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)c([N+](=O)[O-])c2)CC1 ZINC001472900972 1069050044 /nfs/dbraw/zinc/05/00/44/1069050044.db2.gz UYWOFTYAQNRTGX-BZSNNMDCSA-N 1 0 451.593 1.697 20 5 JDBDRO C[C@H](CO)[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CCCC1 ZINC001473383128 1069134187 /nfs/dbraw/zinc/13/41/87/1069134187.db2.gz GRWPLQHLJFLKOE-MRXNPFEDSA-N 1 0 454.549 1.053 20 5 JDBDRO O=C(C[N@@H+]1CC[C@@H](c2ccccn2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001473424162 1069146343 /nfs/dbraw/zinc/14/63/43/1069146343.db2.gz ZKMRJGJBQGOCNY-QGZVFWFLSA-N 1 0 459.528 1.312 20 5 JDBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1(C)C ZINC001473485380 1069162951 /nfs/dbraw/zinc/16/29/51/1069162951.db2.gz YKWWMNYLZLDQSC-NIKGAXFTSA-N 1 0 454.549 1.077 20 5 JDBDRO C[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCC(F)CC1 ZINC001473678248 1069206690 /nfs/dbraw/zinc/20/66/90/1069206690.db2.gz UWBSUROOTKQUPH-KLAILNCOSA-N 1 0 456.540 1.934 20 5 JDBDRO O=C(C[NH2+][C@@H]1CCC[C@]12CCCO2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001473750274 1069219538 /nfs/dbraw/zinc/21/95/38/1069219538.db2.gz VHINXMAPEVPKMU-QUCCMNQESA-N 1 0 452.533 1.119 20 5 JDBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001500708767 1069300409 /nfs/dbraw/zinc/30/04/09/1069300409.db2.gz ZGHUTOHHOCQGOR-HTAPYJJXSA-N 1 0 492.602 1.571 20 5 JDBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCC[NH+]2CCOCC2)c1 ZINC001505368827 1072583377 /nfs/dbraw/zinc/58/33/77/1072583377.db2.gz VGROXNQXKDRUAL-UHFFFAOYSA-N 1 0 464.548 1.201 20 5 JDBDRO CC(=O)NC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC001508375283 1073159814 /nfs/dbraw/zinc/15/98/14/1073159814.db2.gz QWHOYUQYDIARAT-UGKGYDQZSA-N 1 0 489.602 1.632 20 5 JDBDRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001509436499 1073618164 /nfs/dbraw/zinc/61/81/64/1073618164.db2.gz RMUAWECISAFTGO-YLJYHZDGSA-N 1 0 471.562 1.877 20 5 JDBDRO CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001509578327 1073697513 /nfs/dbraw/zinc/69/75/13/1073697513.db2.gz RXMBNMQVRHGLBI-UHFFFAOYSA-N 1 0 498.588 1.511 20 5 JDBDRO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001164674492 719498887 /nfs/dbraw/zinc/49/88/87/719498887.db2.gz YMDIULMOYUUJGR-UHFFFAOYSA-N 1 0 471.537 1.805 20 5 JDBDRO CCOC(=O)c1nc(Cl)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001164714629 720168810 /nfs/dbraw/zinc/16/88/10/720168810.db2.gz QZLTZQXMJFJRIX-AWEZNQCLSA-N 1 0 494.940 1.560 20 5 JDBDRO CCOC(=O)c1nc(Cl)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001164714641 720169670 /nfs/dbraw/zinc/16/96/70/720169670.db2.gz QZLTZQXMJFJRIX-CQSZACIVSA-N 1 0 494.940 1.560 20 5 JDBDRO COc1cc2ncnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2cc1[N+](=O)[O-] ZINC001164717808 720182549 /nfs/dbraw/zinc/18/25/49/720182549.db2.gz MOCJENKBLLSZFC-IBGZPJMESA-N 1 0 468.518 1.891 20 5 JDBDRO 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 720859219 /nfs/dbraw/zinc/85/92/19/720859219.db2.gz DXKJRPAZNRAPEH-RCCFBDPRSA-N 1 0 455.523 1.623 20 5 JDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164859341 720893135 /nfs/dbraw/zinc/89/31/35/720893135.db2.gz OZSGQEWOTPWUSI-SJLPKXTDSA-N 1 0 494.545 1.373 20 5 JDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164859331 720893262 /nfs/dbraw/zinc/89/32/62/720893262.db2.gz OZSGQEWOTPWUSI-AEFFLSMTSA-N 1 0 494.545 1.373 20 5 JDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001164931583 721890958 /nfs/dbraw/zinc/89/09/58/721890958.db2.gz FGKOZTASIOCYSD-CVEARBPZSA-N 1 0 463.535 1.414 20 5 JDBDRO COC(=O)c1nc(Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1[N+](=O)[O-] ZINC001165000262 722251538 /nfs/dbraw/zinc/25/15/38/722251538.db2.gz NIGZRBUDVRFNSV-UHFFFAOYSA-N 1 0 453.887 1.510 20 5 JDBDRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC001475066076 1069348353 /nfs/dbraw/zinc/34/83/53/1069348353.db2.gz HXONDKFSIYFDNI-UHFFFAOYSA-N 1 0 453.348 1.980 20 5 JDBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC001475102010 1069358886 /nfs/dbraw/zinc/35/88/86/1069358886.db2.gz BGBVIEHIVOAWKG-XJKSGUPXSA-N 1 0 455.537 1.766 20 5 JDBDRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001501800017 1069727611 /nfs/dbraw/zinc/72/76/11/1069727611.db2.gz BWHSFRGPXFVTFR-FUHWJXTLSA-N 1 0 471.566 1.589 20 5 JDBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001477669836 1069843114 /nfs/dbraw/zinc/84/31/14/1069843114.db2.gz QXYRFUJGMPDQFX-SFHVURJKSA-N 1 0 453.565 1.969 20 5 JDBDRO CS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)c([N+](=O)[O-])c1 ZINC001477995234 1069888185 /nfs/dbraw/zinc/88/81/85/1069888185.db2.gz XSWPLFCCGJFVPK-INIZCTEOSA-N 1 0 451.549 1.314 20 5 JDBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001478191352 1069922506 /nfs/dbraw/zinc/92/25/06/1069922506.db2.gz APRIEJGBWUYZPP-MRXNPFEDSA-N 1 0 453.565 1.704 20 5 JDBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C ZINC001502248905 1069931045 /nfs/dbraw/zinc/93/10/45/1069931045.db2.gz DDVMYZRBZAGSOR-MOPGFXCFSA-N 1 0 484.605 1.936 20 5 JDBDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001502283437 1070019542 /nfs/dbraw/zinc/01/95/42/1070019542.db2.gz RKQOQBUXJWINHW-HXUWFJFHSA-N 1 0 498.588 1.511 20 5 JDBDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502311483 1070079383 /nfs/dbraw/zinc/07/93/83/1070079383.db2.gz UCFOWTRPGXDLGD-GOSISDBHSA-N 1 0 470.578 1.548 20 5 JDBDRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@H](COC)OC)C2)CC1 ZINC001502334342 1070184821 /nfs/dbraw/zinc/18/48/21/1070184821.db2.gz GIUPIFXUZABVHE-NHCUHLMSSA-N 1 0 473.578 1.731 20 5 JDBDRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC001502337149 1070202790 /nfs/dbraw/zinc/20/27/90/1070202790.db2.gz BQPUFGDXPLCBNR-GOSISDBHSA-N 1 0 457.583 1.490 20 5 JDBDRO CCN1CC[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502349430 1070268999 /nfs/dbraw/zinc/26/89/99/1070268999.db2.gz YAWBCAKZPMZIKL-DEOSSOPVSA-N 1 0 484.605 1.973 20 5 JDBDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001493841737 1070357674 /nfs/dbraw/zinc/35/76/74/1070357674.db2.gz HOKYSOPFKFFEDR-GOSISDBHSA-N 1 0 470.578 1.548 20 5 JDBDRO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC[NH+](CCN(C)C)CC2)CC(=O)N1C ZINC001494228327 1070511947 /nfs/dbraw/zinc/51/19/47/1070511947.db2.gz PUNWGXKYIXJWSP-SFHVURJKSA-N 1 0 484.605 1.794 20 5 JDBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC(=O)N1C ZINC001494229396 1070513095 /nfs/dbraw/zinc/51/30/95/1070513095.db2.gz YJJRRZCNJKHIKS-YLJYHZDGSA-N 1 0 471.562 1.757 20 5 JDBDRO C[C@H]1C[N@H+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCNC(=O)CC2)CCCO1 ZINC001494517884 1070608877 /nfs/dbraw/zinc/60/88/77/1070608877.db2.gz GAVKSTPZTVUXSJ-KRWDZBQOSA-N 1 0 457.535 1.681 20 5 JDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 ZINC001546245840 1070801614 /nfs/dbraw/zinc/80/16/14/1070801614.db2.gz JBDHPOUJNPSNOR-IAGOWNOFSA-N 1 0 457.531 1.879 20 5 JDBDRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001496161004 1070832105 /nfs/dbraw/zinc/83/21/05/1070832105.db2.gz SVQWJRROOBGUHN-WMZOPIPTSA-N 1 0 471.566 1.589 20 5 JDBDRO COCC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001504530657 1071317372 /nfs/dbraw/zinc/31/73/72/1071317372.db2.gz LMKWRUDXKFLHLG-UHFFFAOYSA-N 1 0 487.561 1.261 20 5 JDBDRO C[NH+](C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NS(C)(=O)=O)CC1)C1CC1 ZINC001503379425 1071634899 /nfs/dbraw/zinc/63/48/99/1071634899.db2.gz LGBJWVXNONULON-IBGZPJMESA-N 1 0 477.591 1.712 20 5 JDBDRO C[NH+](C)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCC1 ZINC001503384973 1071642635 /nfs/dbraw/zinc/64/26/35/1071642635.db2.gz BIRVMXCLMURPJV-UHFFFAOYSA-N 1 0 477.591 1.856 20 5 JDBDRO C[NH+](C)[C@@]1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](C)(C(N)=O)C2)CCSC1 ZINC001503387790 1071645645 /nfs/dbraw/zinc/64/56/45/1071645645.db2.gz SGCCKBAHACURAD-LEWJYISDSA-N 1 0 459.576 1.992 20 5 JDBDRO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001503401611 1071664638 /nfs/dbraw/zinc/66/46/38/1071664638.db2.gz CDXKKFMFCACFNT-QGZVFWFLSA-N 1 0 452.537 1.055 20 5 JDBDRO C[NH+](C)CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC001503402471 1071667328 /nfs/dbraw/zinc/66/73/28/1071667328.db2.gz LZTMBBYTCYXJKK-WOJBJXKFSA-N 1 0 460.535 1.816 20 5 JDBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C ZINC001504910925 1071865740 /nfs/dbraw/zinc/86/57/40/1071865740.db2.gz OCXAEPBGLWSRIM-DRSNIGMVSA-N 1 0 460.535 1.550 20 5 JDBDRO CN(CCNS(C)(=O)=O)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001503621867 1071918530 /nfs/dbraw/zinc/91/85/30/1071918530.db2.gz KFOZTJKSXWEKCN-LJQANCHMSA-N 1 0 477.591 1.856 20 5 JDBDRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001503676893 1072010699 /nfs/dbraw/zinc/01/06/99/1072010699.db2.gz CLUMKZBZUJCXNW-QHCPKHFHSA-N 1 0 487.561 1.977 20 5 JDBDRO CNC(=O)C(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001503690371 1072026465 /nfs/dbraw/zinc/02/64/65/1072026465.db2.gz NPGIYKKSAXYRAM-IBGZPJMESA-N 1 0 498.588 1.368 20 5 JDBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC001465028594 1067730310 /nfs/dbraw/zinc/73/03/10/1067730310.db2.gz GZURCOXNYDFBJJ-OAQYLSRUSA-N 1 0 456.547 1.593 20 5 JDBDRO COc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc1[N+](=O)[O-] ZINC001465802088 1067831640 /nfs/dbraw/zinc/83/16/40/1067831640.db2.gz SFKAVZRQPABINL-UHFFFAOYSA-N 1 0 456.503 1.897 20 5 JDBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC001465954390 1067846268 /nfs/dbraw/zinc/84/62/68/1067846268.db2.gz GQMXMICZWXHPFL-HKUYNNGSSA-N 1 0 454.483 1.319 20 5 JDBDRO CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001466927887 1067949138 /nfs/dbraw/zinc/94/91/38/1067949138.db2.gz ULVKDNAQZPWTQZ-YJBOKZPZSA-N 1 0 452.577 1.750 20 5 JDBDRO C[NH+](C)[C@H](CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001468099547 1068166882 /nfs/dbraw/zinc/16/68/82/1068166882.db2.gz NAWZEOGMZIPASL-QGZVFWFLSA-N 1 0 453.496 1.614 20 5 JDBDRO C[NH+]1CCN(Cc2cccc(CNC(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)c2)CC1 ZINC001468580672 1068317658 /nfs/dbraw/zinc/31/76/58/1068317658.db2.gz CJWJECYFSIKERZ-UHFFFAOYSA-N 1 0 453.547 1.769 20 5 JDBDRO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC001469185679 1068460470 /nfs/dbraw/zinc/46/04/70/1068460470.db2.gz VKZFWVVLPCLUOE-UHFFFAOYSA-N 1 0 453.565 1.922 20 5 JDBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001469217988 1068466967 /nfs/dbraw/zinc/46/69/67/1068466967.db2.gz HGMZYYLGNKPSKD-NQIIRXRSSA-N 1 0 458.540 1.996 20 5 JDBDRO C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C[N@@H+]1C1CC1 ZINC001469355029 1068501557 /nfs/dbraw/zinc/50/15/57/1068501557.db2.gz REPMWMMJNOIKGE-GJZGRUSLSA-N 1 0 451.549 1.455 20 5 JDBDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C[N@@H+]1C1CC1 ZINC001469355031 1068502323 /nfs/dbraw/zinc/50/23/23/1068502323.db2.gz REPMWMMJNOIKGE-HUUCEWRRSA-N 1 0 451.549 1.455 20 5 JDBDRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C[N@@H+]1C1CC1 ZINC001469355033 1068502930 /nfs/dbraw/zinc/50/29/30/1068502930.db2.gz REPMWMMJNOIKGE-LSDHHAIUSA-N 1 0 451.549 1.455 20 5 JDBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001469731246 1068575899 /nfs/dbraw/zinc/57/58/99/1068575899.db2.gz YHYYDZKEBFRJFU-UHFFFAOYSA-N 1 0 454.549 1.655 20 5 JDBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001470640469 1068797244 /nfs/dbraw/zinc/79/72/44/1068797244.db2.gz NMEJKCIQQQVNJC-KRWDZBQOSA-N 1 0 450.492 1.445 20 5 JDBDRO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001471235541 1068845595 /nfs/dbraw/zinc/84/55/95/1068845595.db2.gz KGVRMJTUHLBOMF-INIZCTEOSA-N 1 0 453.565 1.278 20 5 JDBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001471557084 1068879374 /nfs/dbraw/zinc/87/93/74/1068879374.db2.gz LFMWTLQMZHMSJR-SFHVURJKSA-N 1 0 459.528 1.796 20 5 JDBDRO CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H]([NH+]4CCCC4)CC3)c([N+](=O)[O-])c2)CC1 ZINC001472699777 1069043684 /nfs/dbraw/zinc/04/36/84/1069043684.db2.gz GJTQGPMKCSBNMK-GOSISDBHSA-N 1 0 451.593 1.986 20 5 JDBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C[C@@H]1[NH+]1CCCC1 ZINC001472762353 1069046166 /nfs/dbraw/zinc/04/61/66/1069046166.db2.gz KPHRDYRUPFTNMM-ROUUACIJSA-N 1 0 456.590 1.632 20 5 JDBDRO C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC001472788788 1069046682 /nfs/dbraw/zinc/04/66/82/1069046682.db2.gz PRCCJJBFSNOKMA-KRWDZBQOSA-N 1 0 451.593 1.842 20 5 JDBDRO CN1CCN(S(=O)(=O)c2ccc(N3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)c([N+](=O)[O-])c2)CC1 ZINC001472900975 1069050060 /nfs/dbraw/zinc/05/00/60/1069050060.db2.gz UYWOFTYAQNRTGX-RCCFBDPRSA-N 1 0 451.593 1.697 20 5 JDBDRO CC(C)[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001473440401 1069150018 /nfs/dbraw/zinc/15/00/18/1069150018.db2.gz SUDCDRABBQSBRD-NRFANRHFSA-N 1 0 455.519 1.294 20 5 JDBDRO CC(C)[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001473440402 1069150504 /nfs/dbraw/zinc/15/05/04/1069150504.db2.gz SUDCDRABBQSBRD-OAQYLSRUSA-N 1 0 455.519 1.294 20 5 JDBDRO CC(C)[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCO1 ZINC001473500894 1069168540 /nfs/dbraw/zinc/16/85/40/1069168540.db2.gz PIAOBJNMAJQKHP-IBGZPJMESA-N 1 0 454.549 1.175 20 5 JDBDRO O=C(C[N@@H+]1CCCC[C@@]12CCOC2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001473895298 1069236860 /nfs/dbraw/zinc/23/68/60/1069236860.db2.gz GJOHQWKROFXNQH-FQEVSTJZSA-N 1 0 452.533 1.073 20 5 JDBDRO O=C(NCCC[NH+]1CCCC1)C1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001474835557 1069278624 /nfs/dbraw/zinc/27/86/24/1069278624.db2.gz XFYUVBQJOHJAFS-UHFFFAOYSA-N 1 0 452.577 1.781 20 5 JDBDRO CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001508375277 1073159749 /nfs/dbraw/zinc/15/97/49/1073159749.db2.gz QWHOYUQYDIARAT-DENIHFKCSA-N 1 0 489.602 1.632 20 5 JDBDRO CC(=O)NCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001508389594 1073198484 /nfs/dbraw/zinc/19/84/84/1073198484.db2.gz LOYSXVJJKJWPFW-UHFFFAOYSA-N 1 0 457.535 1.681 20 5 JDBDRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001509433111 1073611740 /nfs/dbraw/zinc/61/17/40/1073611740.db2.gz IKZHXYHYPKBAQI-AZUAARDMSA-N 1 0 471.562 1.912 20 5 JDBDRO COC(=O)c1nc(Cl)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001164711223 720172469 /nfs/dbraw/zinc/17/24/69/720172469.db2.gz AAXSSBGFAJGAFE-ZDUSSCGKSA-N 1 0 480.913 1.170 20 5 JDBDRO CN(C)/C=C/c1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001164718135 720196117 /nfs/dbraw/zinc/19/61/17/720196117.db2.gz XKZYJUZDCKWNJC-FXVWLTTGSA-N 1 0 456.551 1.867 20 5 JDBDRO CCOC(=O)c1ccnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001164717604 720203015 /nfs/dbraw/zinc/20/30/15/720203015.db2.gz VAXNVWQMCVHLTB-QGZVFWFLSA-N 1 0 459.507 1.511 20 5 JDBDRO COC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164821056 720302678 /nfs/dbraw/zinc/30/26/78/720302678.db2.gz JIPRCCVRDKKIRH-KBPBESRZSA-N 1 0 466.926 1.736 20 5 JDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164859338 720893412 /nfs/dbraw/zinc/89/34/12/720893412.db2.gz OZSGQEWOTPWUSI-FUHWJXTLSA-N 1 0 494.545 1.373 20 5 JDBDRO CCOC(=O)c1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164890560 721384890 /nfs/dbraw/zinc/38/48/90/721384890.db2.gz OGTIDGUYGHWHHD-YCRPNKLZSA-N 1 0 482.969 1.980 20 5 JDBDRO COC(=O)c1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164885743 721392672 /nfs/dbraw/zinc/39/26/72/721392672.db2.gz DJLAPZPWUHIRHX-JLTOFOAXSA-N 1 0 468.942 1.590 20 5 JDBDRO CCOC(=O)c1nc(Cl)nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1[N+](=O)[O-] ZINC001164796579 721509047 /nfs/dbraw/zinc/50/90/47/721509047.db2.gz SMNBAWLGTAEXEJ-UHFFFAOYSA-N 1 0 464.914 1.179 20 5 JDBDRO CN(Cc1cccnc1)[C@@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164802379 721536569 /nfs/dbraw/zinc/53/65/69/721536569.db2.gz GEKYGULGLPKDSP-NLWGTHIKSA-N 1 0 454.535 1.058 20 5 JDBDRO Cc1nc(CN2CCO[C@H]3CCN(c4ncnc(N5CC[NH2+]CC5)c4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164990807 722177199 /nfs/dbraw/zinc/17/71/99/722177199.db2.gz WKJREUIGNGUNKP-ROUUACIJSA-N 1 0 474.591 1.429 20 5 JDBDRO CCOC(=O)c1nc(Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1[N+](=O)[O-] ZINC001164999809 722250834 /nfs/dbraw/zinc/25/08/34/722250834.db2.gz GIVWZUAXWDFDPK-UHFFFAOYSA-N 1 0 467.914 1.900 20 5 JDBDRO O=C1OCCN1c1ccc(S(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc1[N+](=O)[O-] ZINC001475374241 1069454210 /nfs/dbraw/zinc/45/42/10/1069454210.db2.gz RRZMTJGFVMIHGU-UHFFFAOYSA-N 1 0 454.505 1.427 20 5 JDBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001478191351 1069922851 /nfs/dbraw/zinc/92/28/51/1069922851.db2.gz APRIEJGBWUYZPP-INIZCTEOSA-N 1 0 453.565 1.704 20 5 JDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001478892428 1070063874 /nfs/dbraw/zinc/06/38/74/1070063874.db2.gz XLADMJSIBDZGLN-MOPGFXCFSA-N 1 0 451.549 1.628 20 5 JDBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001478892431 1070063902 /nfs/dbraw/zinc/06/39/02/1070063902.db2.gz XLADMJSIBDZGLN-RTBURBONSA-N 1 0 451.549 1.628 20 5 JDBDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001502311423 1070080089 /nfs/dbraw/zinc/08/00/89/1070080089.db2.gz SDLHZNOZJMSMCT-RXVVDRJESA-N 1 0 484.605 1.984 20 5 JDBDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001502311421 1070079070 /nfs/dbraw/zinc/07/90/70/1070079070.db2.gz SDLHZNOZJMSMCT-GHTZIAJQSA-N 1 0 484.605 1.984 20 5 JDBDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001502311424 1070079944 /nfs/dbraw/zinc/07/99/44/1070079944.db2.gz SDLHZNOZJMSMCT-WIYYLYMNSA-N 1 0 484.605 1.984 20 5 JDBDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502311115 1070078196 /nfs/dbraw/zinc/07/81/96/1070078196.db2.gz MWXOGRDZPLZFSK-ROUUACIJSA-N 1 0 472.594 1.698 20 5 JDBDRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@@H](COC)OC)C2)CC1 ZINC001502334344 1070185647 /nfs/dbraw/zinc/18/56/47/1070185647.db2.gz GIUPIFXUZABVHE-SFTDATJTSA-N 1 0 473.578 1.731 20 5 JDBDRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCC(=O)N(C)C)C2)CC1 ZINC001502334783 1070190356 /nfs/dbraw/zinc/19/03/56/1070190356.db2.gz QPYSJHXPXRFXBO-FQEVSTJZSA-N 1 0 470.578 1.548 20 5 JDBDRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC001502337150 1070202564 /nfs/dbraw/zinc/20/25/64/1070202564.db2.gz BQPUFGDXPLCBNR-SFHVURJKSA-N 1 0 457.583 1.490 20 5 JDBDRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[NH+]1CCOCC1 ZINC001493169793 1070232877 /nfs/dbraw/zinc/23/28/77/1070232877.db2.gz PYMCSHPHCKRVQS-KRWDZBQOSA-N 1 0 457.535 1.633 20 5 JDBDRO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC(=O)N1C ZINC001494229394 1070513478 /nfs/dbraw/zinc/51/34/78/1070513478.db2.gz YJJRRZCNJKHIKS-PXNSSMCTSA-N 1 0 471.562 1.757 20 5 JDBDRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCSCC2)C1 ZINC001502469633 1070524761 /nfs/dbraw/zinc/52/47/61/1070524761.db2.gz RLNYBRUJCHQUGM-GOSISDBHSA-N 1 0 495.631 1.420 20 5 JDBDRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCSCC2)C1 ZINC001502469634 1070524929 /nfs/dbraw/zinc/52/49/29/1070524929.db2.gz RLNYBRUJCHQUGM-SFHVURJKSA-N 1 0 495.631 1.420 20 5 JDBDRO C[C@@H]1C[N@H+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCNC(=O)CC2)CCCO1 ZINC001494517886 1070609402 /nfs/dbraw/zinc/60/94/02/1070609402.db2.gz GAVKSTPZTVUXSJ-QGZVFWFLSA-N 1 0 457.535 1.681 20 5 JDBDRO CCO[C@@]1(c2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001502652472 1070725009 /nfs/dbraw/zinc/72/50/09/1070725009.db2.gz YMBQYGCFPMBOLJ-GOTSBHOMSA-N 1 0 474.562 1.584 20 5 JDBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 ZINC001546245842 1070801459 /nfs/dbraw/zinc/80/14/59/1070801459.db2.gz JBDHPOUJNPSNOR-IRXDYDNUSA-N 1 0 457.531 1.879 20 5 JDBDRO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)C1)[NH+]1CCOCC1 ZINC001496633247 1070855072 /nfs/dbraw/zinc/85/50/72/1070855072.db2.gz BKDQWSCYPMPRER-FQEVSTJZSA-N 1 0 471.562 1.927 20 5 JDBDRO CCS(=O)(=O)CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503246568 1071247341 /nfs/dbraw/zinc/24/73/41/1071247341.db2.gz PKTMGMOPRXDCIN-UHFFFAOYSA-N 1 0 494.618 1.960 20 5 JDBDRO C[NH+](C)CCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001503402376 1071666866 /nfs/dbraw/zinc/66/68/66/1071666866.db2.gz BQSSQIVIIFTQTA-UHFFFAOYSA-N 1 0 455.523 1.481 20 5 JDBDRO COCCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001504812644 1071684666 /nfs/dbraw/zinc/68/46/66/1071684666.db2.gz FXFFNQPGRXSZDX-UHFFFAOYSA-N 1 0 473.534 1.900 20 5 JDBDRO COCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001504853545 1071757898 /nfs/dbraw/zinc/75/78/98/1071757898.db2.gz FEZNBVODWBHOER-MOPGFXCFSA-N 1 0 457.535 1.679 20 5 JDBDRO COCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001504853547 1071758764 /nfs/dbraw/zinc/75/87/64/1071758764.db2.gz FEZNBVODWBHOER-RBUKOAKNSA-N 1 0 457.535 1.679 20 5 JDBDRO COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504891558 1071814901 /nfs/dbraw/zinc/81/49/01/1071814901.db2.gz IUDOPIRFULRSKO-UWJYYQICSA-N 1 0 471.562 1.879 20 5 JDBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C ZINC001504910933 1071865586 /nfs/dbraw/zinc/86/55/86/1071865586.db2.gz OCXAEPBGLWSRIM-PNLZDCPESA-N 1 0 460.535 1.550 20 5 JDBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001504912227 1071870183 /nfs/dbraw/zinc/87/01/83/1071870183.db2.gz ZRFMXICTTXUTGZ-VQIMIIECSA-N 1 0 471.562 1.925 20 5 JDBDRO CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503676797 1072009453 /nfs/dbraw/zinc/00/94/53/1072009453.db2.gz ATRXRHHCIHOQMF-QFIPXVFZSA-N 1 0 460.535 1.755 20 5 JDBDRO COCCOC[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001505040017 1072135363 /nfs/dbraw/zinc/13/53/63/1072135363.db2.gz PBONMIRFLPKMOW-HTAPYJJXSA-N 1 0 460.535 1.409 20 5 JDBDRO C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCCC1 ZINC001465125750 1067747140 /nfs/dbraw/zinc/74/71/40/1067747140.db2.gz WLGNQDLWMGXLSJ-MRXNPFEDSA-N 1 0 454.549 1.365 20 5 JDBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC001466279936 1067874977 /nfs/dbraw/zinc/87/49/77/1067874977.db2.gz CKHNTITZSLTVDN-VQTJNVASSA-N 1 0 457.531 1.273 20 5 JDBDRO CN(C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC001467372696 1068009132 /nfs/dbraw/zinc/00/91/32/1068009132.db2.gz UCLUXRHOMPTGSQ-INIZCTEOSA-N 1 0 458.441 1.974 20 5 JDBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001467685892 1068051192 /nfs/dbraw/zinc/05/11/92/1068051192.db2.gz BNBDMEDIHSVKHM-CALCHBBNSA-N 1 0 455.581 1.883 20 5 JDBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001467685894 1068051809 /nfs/dbraw/zinc/05/18/09/1068051809.db2.gz BNBDMEDIHSVKHM-IAGOWNOFSA-N 1 0 455.581 1.883 20 5 JDBDRO C[NH+](C)[C@@H](CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001468099544 1068166726 /nfs/dbraw/zinc/16/67/26/1068166726.db2.gz NAWZEOGMZIPASL-KRWDZBQOSA-N 1 0 453.496 1.614 20 5 JDBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)C2 ZINC001468184057 1068199133 /nfs/dbraw/zinc/19/91/33/1068199133.db2.gz VDSGTZXYGSOGKP-DYESRHJHSA-N 1 0 450.561 1.940 20 5 JDBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1=O ZINC001468669790 1068343893 /nfs/dbraw/zinc/34/38/93/1068343893.db2.gz KYUNHLLIBGZAFV-ZDUSSCGKSA-N 1 0 457.325 1.575 20 5 JDBDRO CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC001469648970 1068560673 /nfs/dbraw/zinc/56/06/73/1068560673.db2.gz MBRSOWYONSSLBU-AEFFLSMTSA-N 1 0 453.565 1.827 20 5 JDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001470774356 1068808496 /nfs/dbraw/zinc/80/84/96/1068808496.db2.gz AMUABOOCLWJULY-MRXNPFEDSA-N 1 0 453.565 1.792 20 5 JDBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C1 ZINC001470777729 1068809049 /nfs/dbraw/zinc/80/90/49/1068809049.db2.gz VICUDHBNPSZBND-OAHLLOKOSA-N 1 0 453.565 1.703 20 5 JDBDRO CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001471235542 1068845492 /nfs/dbraw/zinc/84/54/92/1068845492.db2.gz KGVRMJTUHLBOMF-MRXNPFEDSA-N 1 0 453.565 1.278 20 5 JDBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001472325834 1068992751 /nfs/dbraw/zinc/99/27/51/1068992751.db2.gz VVCVXDPPXRRIPH-UHFFFAOYSA-N 1 0 454.549 1.103 20 5 JDBDRO CC(C)[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCO1 ZINC001473500895 1069169987 /nfs/dbraw/zinc/16/99/87/1069169987.db2.gz PIAOBJNMAJQKHP-LJQANCHMSA-N 1 0 454.549 1.175 20 5 JDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC(=O)N1CCc2sccc2C1 ZINC001473560776 1069182061 /nfs/dbraw/zinc/18/20/61/1069182061.db2.gz ZQNOTYWHBUUGJO-UHFFFAOYSA-N 1 0 452.558 1.841 20 5 JDBDRO O=C(C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001473738055 1069217595 /nfs/dbraw/zinc/21/75/95/1069217595.db2.gz HLQBNIDUEHMUBT-IAGOWNOFSA-N 1 0 476.477 1.914 20 5 JDBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001500708769 1069300179 /nfs/dbraw/zinc/30/01/79/1069300179.db2.gz ZGHUTOHHOCQGOR-VGOFRKELSA-N 1 0 492.602 1.571 20 5 JDBDRO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001508241500 1073015907 /nfs/dbraw/zinc/01/59/07/1073015907.db2.gz UEPFWHHGZJGLCJ-OAQYLSRUSA-N 1 0 471.562 1.879 20 5 JDBDRO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001508312086 1073075513 /nfs/dbraw/zinc/07/55/13/1073075513.db2.gz ACAMXMJIELZPGD-PZJWPPBQSA-N 1 0 471.562 1.805 20 5 JDBDRO CC(=O)NCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001508359549 1073125661 /nfs/dbraw/zinc/12/56/61/1073125661.db2.gz BIQOJDHOWSFPTO-QFIPXVFZSA-N 1 0 457.535 1.272 20 5 JDBDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001509433115 1073611943 /nfs/dbraw/zinc/61/19/43/1073611943.db2.gz IKZHXYHYPKBAQI-ICSRJNTNSA-N 1 0 471.562 1.912 20 5 JDBDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001509436497 1073617925 /nfs/dbraw/zinc/61/79/25/1073617925.db2.gz RMUAWECISAFTGO-XLIONFOSSA-N 1 0 471.562 1.877 20 5 JDBDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001509562717 1073684942 /nfs/dbraw/zinc/68/49/42/1073684942.db2.gz AKMCSVADTZNNMG-UHFFFAOYSA-N 1 0 467.534 1.927 20 5 JDBDRO CC(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001509575362 1073691696 /nfs/dbraw/zinc/69/16/96/1073691696.db2.gz UCASDQCWZIETOP-UHFFFAOYSA-N 1 0 451.553 1.275 20 5 JDBDRO COC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164821063 720302488 /nfs/dbraw/zinc/30/24/88/720302488.db2.gz JIPRCCVRDKKIRH-KGLIPLIRSA-N 1 0 466.926 1.736 20 5 JDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001164733023 720536747 /nfs/dbraw/zinc/53/67/47/720536747.db2.gz AEFFYXNSVNWUKR-OAHLLOKOSA-N 1 0 474.518 1.594 20 5 JDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164745947 720858988 /nfs/dbraw/zinc/85/89/88/720858988.db2.gz DXKJRPAZNRAPEH-KZNAEPCWSA-N 1 0 455.523 1.623 20 5 JDBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164752170 720946548 /nfs/dbraw/zinc/94/65/48/720946548.db2.gz VVNXUOMNLYFYIL-UHFFFAOYSA-N 1 0 466.882 1.662 20 5 JDBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164868535 721264310 /nfs/dbraw/zinc/26/43/10/721264310.db2.gz AVSUTSFROCAFDX-UHFFFAOYSA-N 1 0 483.953 1.827 20 5 JDBDRO CCOC(=O)c1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164890559 721385318 /nfs/dbraw/zinc/38/53/18/721385318.db2.gz OGTIDGUYGHWHHD-VFNWGFHPSA-N 1 0 482.969 1.980 20 5 JDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001164931586 721890868 /nfs/dbraw/zinc/89/08/68/721890868.db2.gz FGKOZTASIOCYSD-JKSUJKDBSA-N 1 0 463.535 1.414 20 5 JDBDRO COC(=O)c1nc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164984314 722105594 /nfs/dbraw/zinc/10/55/94/722105594.db2.gz SKQIUKUXJWBWLO-CABCVRRESA-N 1 0 462.894 1.947 20 5 JDBDRO COC(=O)c1nc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164984316 722105801 /nfs/dbraw/zinc/10/58/01/722105801.db2.gz SKQIUKUXJWBWLO-HUUCEWRRSA-N 1 0 462.894 1.947 20 5 JDBDRO Cc1nc(CN2CCO[C@H]3CCN(c4ncnc(N5CC[NH2+]CC5)c4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164990669 722177423 /nfs/dbraw/zinc/17/74/23/722177423.db2.gz WKJREUIGNGUNKP-MSOLQXFVSA-N 1 0 474.591 1.429 20 5 JDBDRO COCC[NH+](CCOC)C1CCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC001475276351 1069421986 /nfs/dbraw/zinc/42/19/86/1069421986.db2.gz BMVFKCZNKNFZOS-UHFFFAOYSA-N 1 0 452.533 1.891 20 5 JDBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC1CCC([NH+]2CCCCC2)CC1 ZINC001477864094 1069870340 /nfs/dbraw/zinc/87/03/40/1069870340.db2.gz XVFAYHLAWDAFDU-UHFFFAOYSA-N 1 0 453.565 1.969 20 5 JDBDRO CC[NH+]1CCC(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001478025684 1069890323 /nfs/dbraw/zinc/89/03/23/1069890323.db2.gz QCMNONUKJLHIPT-UHFFFAOYSA-N 1 0 453.565 1.733 20 5 JDBDRO C[N@H+](CCNC(=O)C1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1)Cc1ccccc1 ZINC001478171544 1069913659 /nfs/dbraw/zinc/91/36/59/1069913659.db2.gz VZOMJRLSCYDXAB-UHFFFAOYSA-N 1 0 457.535 1.461 20 5 JDBDRO 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 ZINC001479591491 1070168499 /nfs/dbraw/zinc/16/84/99/1070168499.db2.gz VSHOEHOQHMBHTG-BHYGNILZSA-N 1 0 451.549 1.170 20 5 JDBDRO 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 ZINC001479591494 1070170074 /nfs/dbraw/zinc/17/00/74/1070170074.db2.gz VSHOEHOQHMBHTG-UAGQMJEPSA-N 1 0 451.549 1.170 20 5 JDBDRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[NH+]1CCOCC1 ZINC001493169798 1070232500 /nfs/dbraw/zinc/23/25/00/1070232500.db2.gz PYMCSHPHCKRVQS-QGZVFWFLSA-N 1 0 457.535 1.633 20 5 JDBDRO CCN1CC[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502349431 1070268131 /nfs/dbraw/zinc/26/81/31/1070268131.db2.gz YAWBCAKZPMZIKL-XMMPIXPASA-N 1 0 484.605 1.973 20 5 JDBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCC(O)CC2)CC(=O)N1C ZINC001494226714 1070509619 /nfs/dbraw/zinc/50/96/19/1070509619.db2.gz AVOFJPAQKGRJIY-MRXNPFEDSA-N 1 0 457.535 1.367 20 5 JDBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC(=O)N1C ZINC001494229395 1070512800 /nfs/dbraw/zinc/51/28/00/1070512800.db2.gz YJJRRZCNJKHIKS-XLIONFOSSA-N 1 0 471.562 1.757 20 5 JDBDRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001502469907 1070527947 /nfs/dbraw/zinc/52/79/47/1070527947.db2.gz 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/nfs/dbraw/zinc/69/32/87/1071693287.db2.gz IBFAQBMLKRMDTB-HXUWFJFHSA-N 1 0 459.551 1.943 20 5 JDBDRO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1([NH+](C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC001503412322 1071700606 /nfs/dbraw/zinc/70/06/06/1071700606.db2.gz DZBFULNIRMDXOK-FXAWDEMLSA-N 1 0 480.616 1.914 20 5 JDBDRO COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504891556 1071814875 /nfs/dbraw/zinc/81/48/75/1071814875.db2.gz IUDOPIRFULRSKO-UTKZUKDTSA-N 1 0 471.562 1.879 20 5 JDBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCOC[C@H]2C)C[C@@H]1C ZINC001504909564 1071861552 /nfs/dbraw/zinc/86/15/52/1071861552.db2.gz BEFMETUBWCSBHY-RBUKOAKNSA-N 1 0 473.578 1.731 20 5 JDBDRO COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001504912143 1071870059 /nfs/dbraw/zinc/87/00/59/1071870059.db2.gz YNMAPHTUHPMQRT-JOCHJYFZSA-N 1 0 487.605 1.979 20 5 JDBDRO COCCOC[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001505040019 1072136198 /nfs/dbraw/zinc/13/61/98/1072136198.db2.gz PBONMIRFLPKMOW-VGOFRKELSA-N 1 0 460.535 1.409 20 5 JDBDRO CS(=O)(=O)CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001505135590 1072318577 /nfs/dbraw/zinc/31/85/77/1072318577.db2.gz WKJJIEQCNTZZSK-UHFFFAOYSA-N 1 0 478.575 1.589 20 5 JDBDRO CS(=O)(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCCC2)CC1 ZINC001505137402 1072326412 /nfs/dbraw/zinc/32/64/12/1072326412.db2.gz IYSVQQCPJNZSOI-UHFFFAOYSA-N 1 0 463.564 1.421 20 5 JDBDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC001465003860 1067726467 /nfs/dbraw/zinc/72/64/67/1067726467.db2.gz SWPCPUSTWXIQFW-KRWDZBQOSA-N 1 0 457.487 1.400 20 5 JDBDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC001465003866 1067726629 /nfs/dbraw/zinc/72/66/29/1067726629.db2.gz SWPCPUSTWXIQFW-QGZVFWFLSA-N 1 0 457.487 1.400 20 5 JDBDRO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001465433767 1067799268 /nfs/dbraw/zinc/79/92/68/1067799268.db2.gz HPGLHCTVQMWAEY-UHFFFAOYSA-N 1 0 452.467 1.464 20 5 JDBDRO COC1CC[NH+](CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001465578146 1067812553 /nfs/dbraw/zinc/81/25/53/1067812553.db2.gz ZBZGASKEZKJCDP-INIZCTEOSA-N 1 0 454.549 1.223 20 5 JDBDRO C[C@@H]1CN(C(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001466081306 1067857233 /nfs/dbraw/zinc/85/72/33/1067857233.db2.gz AUGGBYWHYKLYFD-PBHICJAKSA-N 1 0 451.474 1.518 20 5 JDBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC001466279935 1067875027 /nfs/dbraw/zinc/87/50/27/1067875027.db2.gz CKHNTITZSLTVDN-UXHICEINSA-N 1 0 457.531 1.273 20 5 JDBDRO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001466882610 1067940311 /nfs/dbraw/zinc/94/03/11/1067940311.db2.gz NWEJYCFSNIQXJU-MRXNPFEDSA-N 1 0 456.565 1.947 20 5 JDBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3C[C@]4(C)CS(=O)(=O)C[C@]4(C)C3)c2)CC1 ZINC001467372351 1068009099 /nfs/dbraw/zinc/00/90/99/1068009099.db2.gz OUGFJXDIPBOJQC-BGYRXZFFSA-N 1 0 451.549 1.635 20 5 JDBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCC[C@@]4(CCS(=O)(=O)C4)C3)c2)CC1 ZINC001467371840 1068009239 /nfs/dbraw/zinc/00/92/39/1068009239.db2.gz FRUSLTWZFITKHS-HXUWFJFHSA-N 1 0 451.549 1.779 20 5 JDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)C2 ZINC001468184060 1068199393 /nfs/dbraw/zinc/19/93/93/1068199393.db2.gz VDSGTZXYGSOGKP-UWJYYQICSA-N 1 0 450.561 1.940 20 5 JDBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001468383140 1068264715 /nfs/dbraw/zinc/26/47/15/1068264715.db2.gz VBTWEKLWCYNLFI-UHFFFAOYSA-N 1 0 453.565 1.969 20 5 JDBDRO C[C@@H](NC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)C(C)(C)C[NH+](C)C ZINC001469311656 1068492044 /nfs/dbraw/zinc/49/20/44/1068492044.db2.gz HOWHZEFQMUMSIQ-OAHLLOKOSA-N 1 0 455.581 1.806 20 5 JDBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC001469729748 1068575976 /nfs/dbraw/zinc/57/59/76/1068575976.db2.gz CBNAUOZKFVFUJH-UHFFFAOYSA-N 1 0 454.549 1.512 20 5 JDBDRO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC[C@@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001470152138 1068712044 /nfs/dbraw/zinc/71/20/44/1068712044.db2.gz IOKQEOMDROKPDO-INIZCTEOSA-N 1 0 456.565 1.852 20 5 JDBDRO C[N@H+](CCCCNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)C1CC1 ZINC001470433609 1068760886 /nfs/dbraw/zinc/76/08/86/1068760886.db2.gz MMWJSTRYFNXJAO-UHFFFAOYSA-N 1 0 453.565 1.704 20 5 JDBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001470640470 1068797271 /nfs/dbraw/zinc/79/72/71/1068797271.db2.gz NMEJKCIQQQVNJC-QGZVFWFLSA-N 1 0 450.492 1.445 20 5 JDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001470774355 1068808575 /nfs/dbraw/zinc/80/85/75/1068808575.db2.gz AMUABOOCLWJULY-INIZCTEOSA-N 1 0 453.565 1.792 20 5 JDBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C1 ZINC001470777725 1068808955 /nfs/dbraw/zinc/80/89/55/1068808955.db2.gz VICUDHBNPSZBND-HNNXBMFYSA-N 1 0 453.565 1.703 20 5 JDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001470797202 1068810826 /nfs/dbraw/zinc/81/08/26/1068810826.db2.gz BJWCNVGUIMWSQT-INIZCTEOSA-N 1 0 454.325 1.765 20 5 JDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001471198149 1068842345 /nfs/dbraw/zinc/84/23/45/1068842345.db2.gz RAJZVFILAJAGSA-HNNXBMFYSA-N 1 0 454.325 1.805 20 5 JDBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001471557082 1068879475 /nfs/dbraw/zinc/87/94/75/1068879475.db2.gz LFMWTLQMZHMSJR-GOSISDBHSA-N 1 0 459.528 1.796 20 5 JDBDRO CN1CCN(S(=O)(=O)c2ccc(N3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)c([N+](=O)[O-])c2)CC1 ZINC001472900974 1069049939 /nfs/dbraw/zinc/04/99/39/1069049939.db2.gz UYWOFTYAQNRTGX-OKZBNKHCSA-N 1 0 451.593 1.697 20 5 JDBDRO CC(C)OC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001473197004 1069092504 /nfs/dbraw/zinc/09/25/04/1069092504.db2.gz CRDGOQSIQRAONJ-UHFFFAOYSA-N 1 0 454.549 1.317 20 5 JDBDRO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001473438998 1069150460 /nfs/dbraw/zinc/15/04/60/1069150460.db2.gz XLOFFHMRWIHFAD-FQEVSTJZSA-N 1 0 454.549 1.055 20 5 JDBDRO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001473438999 1069150769 /nfs/dbraw/zinc/15/07/69/1069150769.db2.gz XLOFFHMRWIHFAD-HXUWFJFHSA-N 1 0 454.549 1.055 20 5 JDBDRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001474932827 1069308673 /nfs/dbraw/zinc/30/86/73/1069308673.db2.gz UTRZTZHEGPMFIF-UHFFFAOYSA-N 1 0 450.439 1.542 20 5 JDBDRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001508312084 1073075349 /nfs/dbraw/zinc/07/53/49/1073075349.db2.gz ACAMXMJIELZPGD-CTNGQTDRSA-N 1 0 471.562 1.805 20 5 JDBDRO CC(=O)NCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001508388582 1073196888 /nfs/dbraw/zinc/19/68/88/1073196888.db2.gz DEWSWVWPZFDFHS-UHFFFAOYSA-N 1 0 484.561 1.124 20 5 JDBDRO CCC[N@H+](CC)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001500778535 1069309804 /nfs/dbraw/zinc/30/98/04/1069309804.db2.gz PSLQHZSAHDCJBZ-UHFFFAOYSA-N 1 0 465.580 1.667 20 5 JDBDRO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164695722 719888520 /nfs/dbraw/zinc/88/85/20/719888520.db2.gz SXJKMADKHDTFBN-UHFFFAOYSA-N 1 0 459.576 1.727 20 5 JDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164716681 720189363 /nfs/dbraw/zinc/18/93/63/720189363.db2.gz RKCAVKUVYUKMJE-SFHVURJKSA-N 1 0 459.507 1.511 20 5 JDBDRO COC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164821067 720302852 /nfs/dbraw/zinc/30/28/52/720302852.db2.gz JIPRCCVRDKKIRH-ZIAGYGMSSA-N 1 0 466.926 1.736 20 5 JDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164745946 720859361 /nfs/dbraw/zinc/85/93/61/720859361.db2.gz DXKJRPAZNRAPEH-FGTMMUONSA-N 1 0 455.523 1.623 20 5 JDBDRO CCOC(=O)c1nc(Cl)nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c1[N+](=O)[O-] ZINC001164876086 721262392 /nfs/dbraw/zinc/26/23/92/721262392.db2.gz NUBRHSUSZXYJJZ-UHFFFAOYSA-N 1 0 484.941 1.222 20 5 JDBDRO CCOC(=O)c1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164890558 721384863 /nfs/dbraw/zinc/38/48/63/721384863.db2.gz OGTIDGUYGHWHHD-QVKFZJNVSA-N 1 0 482.969 1.980 20 5 JDBDRO COC(=O)c1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164885752 721392572 /nfs/dbraw/zinc/39/25/72/721392572.db2.gz DJLAPZPWUHIRHX-XOBRGWDASA-N 1 0 468.942 1.590 20 5 JDBDRO COC(=O)c1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164885749 721392658 /nfs/dbraw/zinc/39/26/58/721392658.db2.gz DJLAPZPWUHIRHX-VLIAUNLRSA-N 1 0 468.942 1.590 20 5 JDBDRO CN(Cc1cccnc1)[C@@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164802385 721536770 /nfs/dbraw/zinc/53/67/70/721536770.db2.gz GEKYGULGLPKDSP-QWFCFKBJSA-N 1 0 454.535 1.058 20 5 JDBDRO Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc(N5CC[NH2+]CC5)c4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164990814 722177241 /nfs/dbraw/zinc/17/72/41/722177241.db2.gz WKJREUIGNGUNKP-ZWKOTPCHSA-N 1 0 474.591 1.429 20 5 JDBDRO O=C1OCCN1c1ccc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC001474978514 1069324982 /nfs/dbraw/zinc/32/49/82/1069324982.db2.gz JWSGLJDQHGNLHG-OAHLLOKOSA-N 1 0 454.505 1.473 20 5 JDBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC001475102009 1069358827 /nfs/dbraw/zinc/35/88/27/1069358827.db2.gz BGBVIEHIVOAWKG-CZUORRHYSA-N 1 0 455.537 1.766 20 5 JDBDRO CC(C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)NCC[NH+](C)C ZINC001475158868 1069378558 /nfs/dbraw/zinc/37/85/58/1069378558.db2.gz 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457.535 1.272 20 5 JDBDRO CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC001508375279 1073159867 /nfs/dbraw/zinc/15/98/67/1073159867.db2.gz QWHOYUQYDIARAT-KNQAVFIVSA-N 1 0 489.602 1.632 20 5 JDBDRO COc1cc2ncnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2cc1[N+](=O)[O-] ZINC001164717810 720182836 /nfs/dbraw/zinc/18/28/36/720182836.db2.gz MOCJENKBLLSZFC-LJQANCHMSA-N 1 0 468.518 1.891 20 5 JDBDRO CN(C)/C=C\c1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001164718133 720196508 /nfs/dbraw/zinc/19/65/08/720196508.db2.gz XKZYJUZDCKWNJC-ATYVUACHSA-N 1 0 456.551 1.867 20 5 JDBDRO CCOC(=O)c1ccnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001164717602 720202554 /nfs/dbraw/zinc/20/25/54/720202554.db2.gz VAXNVWQMCVHLTB-KRWDZBQOSA-N 1 0 459.507 1.511 20 5 JDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164745949 720858969 /nfs/dbraw/zinc/85/89/69/720858969.db2.gz DXKJRPAZNRAPEH-OKZBNKHCSA-N 1 0 455.523 1.623 20 5 JDBDRO COc1cc2ncnc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c2cc1[N+](=O)[O-] ZINC001164870356 721274434 /nfs/dbraw/zinc/27/44/34/721274434.db2.gz WXTWZVFMRLVADD-UHFFFAOYSA-N 1 0 458.519 1.554 20 5 JDBDRO CCOC(=O)c1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164890556 721384773 /nfs/dbraw/zinc/38/47/73/721384773.db2.gz OGTIDGUYGHWHHD-BTYIYWSLSA-N 1 0 482.969 1.980 20 5 JDBDRO COC(=O)c1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164885746 721392394 /nfs/dbraw/zinc/39/23/94/721392394.db2.gz DJLAPZPWUHIRHX-VBKZILBWSA-N 1 0 468.942 1.590 20 5 JDBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164796285 721509678 /nfs/dbraw/zinc/50/96/78/721509678.db2.gz RCGSCRGUSQEBGR-UHFFFAOYSA-N 1 0 463.926 1.784 20 5 JDBDRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)CC1 ZINC001475065659 1069348120 /nfs/dbraw/zinc/34/81/20/1069348120.db2.gz VTWWBLYXMYGDCI-UHFFFAOYSA-N 1 0 456.521 1.719 20 5 JDBDRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)CC1 ZINC001475402052 1069460031 /nfs/dbraw/zinc/46/00/31/1069460031.db2.gz UKDGRUCXKOQBMT-UHFFFAOYSA-N 1 0 455.537 1.246 20 5 JDBDRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001501800018 1069726936 /nfs/dbraw/zinc/72/69/36/1069726936.db2.gz BWHSFRGPXFVTFR-SJLPKXTDSA-N 1 0 471.566 1.589 20 5 JDBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCc4c(CC(N)=O)cccc4C3)c2)CC1 ZINC001477130181 1069802105 /nfs/dbraw/zinc/80/21/05/1069802105.db2.gz GNJMVOGGSWVZFO-UHFFFAOYSA-N 1 0 452.515 1.965 20 5 JDBDRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])CC1 ZINC001477130262 1069802657 /nfs/dbraw/zinc/80/26/57/1069802657.db2.gz IQXUPMNOHQNADZ-MRXNPFEDSA-N 1 0 459.551 1.163 20 5 JDBDRO CC[NH+](CC)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001501944561 1069805676 /nfs/dbraw/zinc/80/56/76/1069805676.db2.gz VCZCAGISJQGVHQ-UHFFFAOYSA-N 1 0 465.580 1.667 20 5 JDBDRO CS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)c([N+](=O)[O-])c1 ZINC001477995238 1069888312 /nfs/dbraw/zinc/88/83/12/1069888312.db2.gz XSWPLFCCGJFVPK-MRXNPFEDSA-N 1 0 451.549 1.314 20 5 JDBDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC001478202164 1069925001 /nfs/dbraw/zinc/92/50/01/1069925001.db2.gz ADVDWJLZVCYCHR-CVEARBPZSA-N 1 0 451.549 1.502 20 5 JDBDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001502283436 1070018293 /nfs/dbraw/zinc/01/82/93/1070018293.db2.gz RKQOQBUXJWINHW-FQEVSTJZSA-N 1 0 498.588 1.511 20 5 JDBDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001502283431 1070018449 /nfs/dbraw/zinc/01/84/49/1070018449.db2.gz RJPVLPSFBNOZQL-WOJBJXKFSA-N 1 0 457.535 1.679 20 5 JDBDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001502311114 1070078833 /nfs/dbraw/zinc/07/88/33/1070078833.db2.gz MWXOGRDZPLZFSK-QZTJIDSGSA-N 1 0 472.594 1.698 20 5 JDBDRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3C[C@H](COC)OC)C2)CC1 ZINC001502334341 1070183091 /nfs/dbraw/zinc/18/30/91/1070183091.db2.gz GIUPIFXUZABVHE-LEWJYISDSA-N 1 0 473.578 1.731 20 5 JDBDRO CCN1CC[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502348915 1070264283 /nfs/dbraw/zinc/26/42/83/1070264283.db2.gz GZNXJCDIRVRHNI-UHFFFAOYSA-N 1 0 470.578 1.549 20 5 JDBDRO CCN1CC[NH+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001502354596 1070282917 /nfs/dbraw/zinc/28/29/17/1070282917.db2.gz LAOOXZABZIKVIQ-LJQANCHMSA-N 1 0 484.605 1.938 20 5 JDBDRO CCN1CC[NH+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502355109 1070285939 /nfs/dbraw/zinc/28/59/39/1070285939.db2.gz SPDXDYOVTVFEAX-DEOSSOPVSA-N 1 0 484.605 1.843 20 5 JDBDRO C[C@H]1CCC[N@H+](CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001493796429 1070348413 /nfs/dbraw/zinc/34/84/13/1070348413.db2.gz LAKJKYWPRAXDLY-KRWDZBQOSA-N 1 0 477.591 1.667 20 5 JDBDRO CCNC(=O)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001502424333 1070367727 /nfs/dbraw/zinc/36/77/27/1070367727.db2.gz GQEKMRMFBZXPMX-LJQANCHMSA-N 1 0 484.605 1.843 20 5 JDBDRO CCO[C@]1(c2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001502652471 1070725136 /nfs/dbraw/zinc/72/51/36/1070725136.db2.gz YMBQYGCFPMBOLJ-DHIUTWEWSA-N 1 0 474.562 1.584 20 5 JDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 ZINC001546245839 1070801567 /nfs/dbraw/zinc/80/15/67/1070801567.db2.gz JBDHPOUJNPSNOR-CALCHBBNSA-N 1 0 457.531 1.879 20 5 JDBDRO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001496161003 1070832073 /nfs/dbraw/zinc/83/20/73/1070832073.db2.gz SVQWJRROOBGUHN-SJLPKXTDSA-N 1 0 471.566 1.589 20 5 JDBDRO COC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([NH+](C)C)CCOCC2)CCO1 ZINC001504712754 1071570584 /nfs/dbraw/zinc/57/05/84/1071570584.db2.gz JPZNTNGRPMVODP-LJQANCHMSA-N 1 0 460.535 1.816 20 5 JDBDRO C[NH+](C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)C1CC1 ZINC001503378483 1071633437 /nfs/dbraw/zinc/63/34/37/1071633437.db2.gz BKTKLDAFEBRISZ-JXFKEZNVSA-N 1 0 491.618 1.959 20 5 JDBDRO C[NH+](C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NS(C)(=O)=O)CC1)C1CC1 ZINC001503379426 1071634757 /nfs/dbraw/zinc/63/47/57/1071634757.db2.gz LGBJWVXNONULON-LJQANCHMSA-N 1 0 477.591 1.712 20 5 JDBDRO C[NH+](C)[C@@]1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCSC1 ZINC001503387793 1071646130 /nfs/dbraw/zinc/64/61/30/1071646130.db2.gz SGCCKBAHACURAD-NHCUHLMSSA-N 1 0 459.576 1.992 20 5 JDBDRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001503392416 1071652177 /nfs/dbraw/zinc/65/21/77/1071652177.db2.gz VTKGKAFOBIUGHD-UHFFFAOYSA-N 1 0 484.605 1.842 20 5 JDBDRO CN(C)CC[NH+]1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS(=O)CC2)CC1 ZINC001503397637 1071656866 /nfs/dbraw/zinc/65/68/66/1071656866.db2.gz ATMNHJPDBRNNCQ-UHFFFAOYSA-N 1 0 475.619 1.696 20 5 JDBDRO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001503401610 1071664734 /nfs/dbraw/zinc/66/47/34/1071664734.db2.gz CDXKKFMFCACFNT-KRWDZBQOSA-N 1 0 452.537 1.055 20 5 JDBDRO COCCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001504812859 1071684531 /nfs/dbraw/zinc/68/45/31/1071684531.db2.gz IVTKFWWFMVJZSW-JOCHJYFZSA-N 1 0 457.535 1.538 20 5 JDBDRO COCCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001504812864 1071684609 /nfs/dbraw/zinc/68/46/09/1071684609.db2.gz IVTKFWWFMVJZSW-QFIPXVFZSA-N 1 0 457.535 1.538 20 5 JDBDRO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1([NH+](C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC001503412325 1071700585 /nfs/dbraw/zinc/70/05/85/1071700585.db2.gz DZBFULNIRMDXOK-YLJYHZDGSA-N 1 0 480.616 1.914 20 5 JDBDRO COCC[N@H+](C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001504849010 1071744637 /nfs/dbraw/zinc/74/46/37/1071744637.db2.gz OPGPRVZOQDETDJ-IBGZPJMESA-N 1 0 457.535 1.633 20 5 JDBDRO COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504891554 1071814796 /nfs/dbraw/zinc/81/47/96/1071814796.db2.gz IUDOPIRFULRSKO-LAUBAEHRSA-N 1 0 471.562 1.879 20 5 JDBDRO COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504891551 1071814832 /nfs/dbraw/zinc/81/48/32/1071814832.db2.gz IUDOPIRFULRSKO-DYESRHJHSA-N 1 0 471.562 1.879 20 5 JDBDRO COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001504912144 1071870033 /nfs/dbraw/zinc/87/00/33/1071870033.db2.gz YNMAPHTUHPMQRT-QFIPXVFZSA-N 1 0 487.605 1.979 20 5 JDBDRO CS(=O)(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001505124475 1072279784 /nfs/dbraw/zinc/27/97/84/1072279784.db2.gz UOTVRJCUGPOOTH-UHFFFAOYSA-N 1 0 492.602 1.979 20 5 JDBDRO CS(=O)(=O)NCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001505144951 1072368369 /nfs/dbraw/zinc/36/83/69/1072368369.db2.gz XMMRTKBKBBFLFG-UHFFFAOYSA-N 1 0 463.564 1.325 20 5 JDBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc1OC ZINC001464871633 1067679796 /nfs/dbraw/zinc/67/97/96/1067679796.db2.gz OQRHWZIDPLXLLE-UHFFFAOYSA-N 1 0 450.536 1.728 20 5 JDBDRO C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCCC1 ZINC001465125749 1067747165 /nfs/dbraw/zinc/74/71/65/1067747165.db2.gz WLGNQDLWMGXLSJ-INIZCTEOSA-N 1 0 454.549 1.365 20 5 JDBDRO C[C@H]1CN(C(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001466081313 1067857175 /nfs/dbraw/zinc/85/71/75/1067857175.db2.gz AUGGBYWHYKLYFD-YOEHRIQHSA-N 1 0 451.474 1.518 20 5 JDBDRO CC[NH+](CC)CCN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@H]1CCS(=O)(=O)C1 ZINC001466156544 1067865392 /nfs/dbraw/zinc/86/53/92/1067865392.db2.gz DUCYDOMLAHWSOZ-HNAYVOBHSA-N 1 0 452.533 1.445 20 5 JDBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CC1 ZINC001466180788 1067867814 /nfs/dbraw/zinc/86/78/14/1067867814.db2.gz QPVAYEFWUIDHTR-UHFFFAOYSA-N 1 0 456.565 1.761 20 5 JDBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCC[C@H]3C(=O)N=S(C)(C)=O)c2)CC1 ZINC001467372142 1068009040 /nfs/dbraw/zinc/00/90/40/1068009040.db2.gz LFTIYURJLOQYGX-KRWDZBQOSA-N 1 0 452.537 1.597 20 5 JDBDRO CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC001468107542 1068168374 /nfs/dbraw/zinc/16/83/74/1068168374.db2.gz OCAATPZKLQAANI-UHFFFAOYSA-N 1 0 453.565 1.827 20 5 JDBDRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001468312113 1068238386 /nfs/dbraw/zinc/23/83/86/1068238386.db2.gz HCCCJNLMTCJNGG-MSOLQXFVSA-N 1 0 458.540 1.796 20 5 JDBDRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001469253382 1068478701 /nfs/dbraw/zinc/47/87/01/1068478701.db2.gz MHWFSPHOKZRLNF-SJORKVTESA-N 1 0 454.549 1.223 20 5 JDBDRO CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001469648972 1068560961 /nfs/dbraw/zinc/56/09/61/1068560961.db2.gz MBRSOWYONSSLBU-SJLPKXTDSA-N 1 0 453.565 1.827 20 5 JDBDRO CCC1(N2CCOCC2)CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001469736794 1068576806 /nfs/dbraw/zinc/57/68/06/1068576806.db2.gz PCBLJPQEOCNBKT-UHFFFAOYSA-N 1 0 454.549 1.655 20 5 JDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001471198150 1068842376 /nfs/dbraw/zinc/84/23/76/1068842376.db2.gz RAJZVFILAJAGSA-OAHLLOKOSA-N 1 0 454.325 1.805 20 5 JDBDRO Nc1c(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC001471537889 1068876782 /nfs/dbraw/zinc/87/67/82/1068876782.db2.gz LMCVTZVUKBAPHT-AWEZNQCLSA-N 1 0 456.341 1.466 20 5 JDBDRO CCOC(=O)C1CCN(C(=O)C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001473141800 1069079771 /nfs/dbraw/zinc/07/97/71/1069079771.db2.gz XBEKVVHVKFEHEB-UHFFFAOYSA-N 1 0 450.492 1.666 20 5 JDBDRO C[N@H+](CCc1cccs1)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001473199329 1069092831 /nfs/dbraw/zinc/09/28/31/1069092831.db2.gz IBUJCNJIZHASRF-UHFFFAOYSA-N 1 0 452.558 1.664 20 5 JDBDRO C[C@@H](CO)[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CCCC1 ZINC001473383127 1069133972 /nfs/dbraw/zinc/13/39/72/1069133972.db2.gz GRWPLQHLJFLKOE-INIZCTEOSA-N 1 0 454.549 1.053 20 5 JDBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1(C)C ZINC001473485375 1069163308 /nfs/dbraw/zinc/16/33/08/1069163308.db2.gz YKWWMNYLZLDQSC-GDIGMMSISA-N 1 0 454.549 1.077 20 5 JDBDRO O=C(C[NH+]1CCC(C2CCC2)CC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001473628069 1069194625 /nfs/dbraw/zinc/19/46/25/1069194625.db2.gz ZLHVITVYMJQMPT-UHFFFAOYSA-N 1 0 450.561 1.940 20 5 JDBDRO C[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001473785308 1069224086 /nfs/dbraw/zinc/22/40/86/1069224086.db2.gz OJCPADHWZWDXPM-HNNXBMFYSA-N 1 0 450.492 1.918 20 5 JDBDRO O=C(C[N@@H+]1CCCC[C@]12CCOC2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001473895299 1069237070 /nfs/dbraw/zinc/23/70/70/1069237070.db2.gz GJOHQWKROFXNQH-HXUWFJFHSA-N 1 0 452.533 1.073 20 5 JDBDRO COC(=O)COc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1[N+](=O)[O-] ZINC001474006383 1069239135 /nfs/dbraw/zinc/23/91/35/1069239135.db2.gz FBNMPLSYDYDYSQ-UHFFFAOYSA-N 1 0 451.448 1.501 20 5 JDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001474834393 1069277665 /nfs/dbraw/zinc/27/76/65/1069277665.db2.gz LXGCCBPJWYOCRJ-UHFFFAOYSA-N 1 0 454.549 1.606 20 5 JDBDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001500708770 1069300258 /nfs/dbraw/zinc/30/02/58/1069300258.db2.gz ZGHUTOHHOCQGOR-VGSWGCGISA-N 1 0 492.602 1.571 20 5 JDBDRO CN(C)/C=C\c1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001164718136 720195943 /nfs/dbraw/zinc/19/59/43/720195943.db2.gz XKZYJUZDCKWNJC-GFWYJJLOSA-N 1 0 456.551 1.867 20 5 JDBDRO CCOC(=O)c1nc(Cl)nc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1[N+](=O)[O-] ZINC001164748898 720946285 /nfs/dbraw/zinc/94/62/85/720946285.db2.gz FIFNDUWKAQTLIR-UHFFFAOYSA-N 1 0 467.870 1.057 20 5 JDBDRO CSc1nc(Cl)nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c1[N+](=O)[O-] ZINC001164872047 721275399 /nfs/dbraw/zinc/27/53/99/721275399.db2.gz AAZGVJACFHSRFY-UHFFFAOYSA-N 1 0 458.972 1.767 20 5 JDBDRO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C2)C1 ZINC001164779512 721376579 /nfs/dbraw/zinc/37/65/79/721376579.db2.gz AZYREHQKQYNOQX-QFIPXVFZSA-N 1 0 457.535 1.795 20 5 JDBDRO CN(Cc1cccnc1)[C@@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164802382 721536960 /nfs/dbraw/zinc/53/69/60/721536960.db2.gz GEKYGULGLPKDSP-NSHGMRRFSA-N 1 0 454.535 1.058 20 5 JDBDRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])C2 ZINC001164908380 721748472 /nfs/dbraw/zinc/74/84/72/721748472.db2.gz HDFRHKMTZMJUIN-UHFFFAOYSA-N 1 0 464.530 1.977 20 5 JDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001164931584 721890988 /nfs/dbraw/zinc/89/09/88/721890988.db2.gz FGKOZTASIOCYSD-HOTGVXAUSA-N 1 0 463.535 1.414 20 5 JDBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC001475102008 1069358501 /nfs/dbraw/zinc/35/85/01/1069358501.db2.gz BGBVIEHIVOAWKG-CJNGLKHVSA-N 1 0 455.537 1.766 20 5 JDBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC001475102007 1069358738 /nfs/dbraw/zinc/35/87/38/1069358738.db2.gz BGBVIEHIVOAWKG-BBRMVZONSA-N 1 0 455.537 1.766 20 5 JDBDRO COC(=O)c1ccc(S(=O)(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC001475181118 1069385824 /nfs/dbraw/zinc/38/58/24/1069385824.db2.gz QCXWXYSDFRQDSL-UHFFFAOYSA-N 1 0 454.549 1.420 20 5 JDBDRO NC(=O)C1CC[NH+](Cc2ccc(CNS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cc2)CC1 ZINC001475393004 1069458553 /nfs/dbraw/zinc/45/85/53/1069458553.db2.gz NQDWPPLCNHTVRK-UHFFFAOYSA-N 1 0 450.492 1.910 20 5 JDBDRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001501800019 1069727201 /nfs/dbraw/zinc/72/72/01/1069727201.db2.gz BWHSFRGPXFVTFR-WMZOPIPTSA-N 1 0 471.566 1.589 20 5 JDBDRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)NC)CC1 ZINC001501889476 1069754366 /nfs/dbraw/zinc/75/43/66/1069754366.db2.gz LOLMKEYCKLYKIB-UHFFFAOYSA-N 1 0 465.580 1.713 20 5 JDBDRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])CC1 ZINC001477130261 1069802605 /nfs/dbraw/zinc/80/26/05/1069802605.db2.gz IQXUPMNOHQNADZ-INIZCTEOSA-N 1 0 459.551 1.163 20 5 JDBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001477669832 1069843251 /nfs/dbraw/zinc/84/32/51/1069843251.db2.gz QXYRFUJGMPDQFX-GOSISDBHSA-N 1 0 453.565 1.969 20 5 JDBDRO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC001478202166 1069925292 /nfs/dbraw/zinc/92/52/92/1069925292.db2.gz ADVDWJLZVCYCHR-HZPDHXFCSA-N 1 0 451.549 1.502 20 5 JDBDRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC001478202167 1069924663 /nfs/dbraw/zinc/92/46/63/1069924663.db2.gz ADVDWJLZVCYCHR-JKSUJKDBSA-N 1 0 451.549 1.502 20 5 JDBDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001502248907 1069929238 /nfs/dbraw/zinc/92/92/38/1069929238.db2.gz DDVMYZRBZAGSOR-RBUKOAKNSA-N 1 0 484.605 1.936 20 5 JDBDRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001502270956 1069992719 /nfs/dbraw/zinc/99/27/19/1069992719.db2.gz WKSABMWZJZWFAT-HZPDHXFCSA-N 1 0 477.591 1.701 20 5 JDBDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001502311113 1070078716 /nfs/dbraw/zinc/07/87/16/1070078716.db2.gz MWXOGRDZPLZFSK-MSOLQXFVSA-N 1 0 472.594 1.698 20 5 JDBDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001502311422 1070079324 /nfs/dbraw/zinc/07/93/24/1070079324.db2.gz SDLHZNOZJMSMCT-NQIIRXRSSA-N 1 0 484.605 1.984 20 5 JDBDRO CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1C ZINC001502320885 1070140201 /nfs/dbraw/zinc/14/02/01/1070140201.db2.gz QOXKULCPLHJSOP-QFBILLFUSA-N 1 0 477.591 1.808 20 5 JDBDRO 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 ZINC001479591496 1070169875 /nfs/dbraw/zinc/16/98/75/1070169875.db2.gz VSHOEHOQHMBHTG-USXIJHARSA-N 1 0 451.549 1.170 20 5 JDBDRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCC(=O)N(C)C)C2)CC1 ZINC001502334784 1070190495 /nfs/dbraw/zinc/19/04/95/1070190495.db2.gz QPYSJHXPXRFXBO-HXUWFJFHSA-N 1 0 470.578 1.548 20 5 JDBDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001493841738 1070357087 /nfs/dbraw/zinc/35/70/87/1070357087.db2.gz HOKYSOPFKFFEDR-SFHVURJKSA-N 1 0 470.578 1.548 20 5 JDBDRO CCNC(=O)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001502424332 1070367502 /nfs/dbraw/zinc/36/75/02/1070367502.db2.gz GQEKMRMFBZXPMX-IBGZPJMESA-N 1 0 484.605 1.843 20 5 JDBDRO CCNC(=O)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001502424316 1070367660 /nfs/dbraw/zinc/36/76/60/1070367660.db2.gz GCMUPURQFLGGGL-UHFFFAOYSA-N 1 0 472.594 1.699 20 5 JDBDRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001502469906 1070527503 /nfs/dbraw/zinc/52/75/03/1070527503.db2.gz XUWKGESSYWUZFD-OALUTQOASA-N 1 0 477.591 1.712 20 5 JDBDRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001496161002 1070831913 /nfs/dbraw/zinc/83/19/13/1070831913.db2.gz SVQWJRROOBGUHN-FUHWJXTLSA-N 1 0 471.566 1.589 20 5 JDBDRO COCC(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+](C)C(C)C)CC1 ZINC001504537264 1071345241 /nfs/dbraw/zinc/34/52/41/1071345241.db2.gz AWIVLHSOWIERDM-UHFFFAOYSA-N 1 0 459.551 1.925 20 5 JDBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOCC1 ZINC001503359758 1071571557 /nfs/dbraw/zinc/57/15/57/1071571557.db2.gz NSIXHZYRHRSZFW-LJQANCHMSA-N 1 0 457.535 1.633 20 5 JDBDRO CN(C)C(=O)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001503376460 1071620562 /nfs/dbraw/zinc/62/05/62/1071620562.db2.gz BWQAFZYVAGBZLG-FQEVSTJZSA-N 1 0 470.578 1.404 20 5 JDBDRO C[NH+](C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)C1CC1 ZINC001503378485 1071633560 /nfs/dbraw/zinc/63/35/60/1071633560.db2.gz BKTKLDAFEBRISZ-OXQOHEQNSA-N 1 0 491.618 1.959 20 5 JDBDRO C[NH+](C)[C@]1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCSC1 ZINC001503387795 1071646064 /nfs/dbraw/zinc/64/60/64/1071646064.db2.gz SGCCKBAHACURAD-RTWAWAEBSA-N 1 0 459.576 1.992 20 5 JDBDRO CN1C(=O)NC2(CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001503392881 1071652736 /nfs/dbraw/zinc/65/27/36/1071652736.db2.gz YGFUBSGGCQJOPH-UHFFFAOYSA-N 1 0 484.561 1.962 20 5 JDBDRO C[NH+](C)CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001503402461 1071667422 /nfs/dbraw/zinc/66/74/22/1071667422.db2.gz LZTMBBYTCYXJKK-PMACEKPBSA-N 1 0 460.535 1.816 20 5 JDBDRO CN(C)S(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001503405882 1071676750 /nfs/dbraw/zinc/67/67/50/1071676750.db2.gz STYPAZSMPVDYFF-UHFFFAOYSA-N 1 0 477.591 1.809 20 5 JDBDRO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1([NH+](C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC001503412323 1071700453 /nfs/dbraw/zinc/70/04/53/1071700453.db2.gz DZBFULNIRMDXOK-PXNSSMCTSA-N 1 0 480.616 1.914 20 5 JDBDRO COCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001504853546 1071759058 /nfs/dbraw/zinc/75/90/58/1071759058.db2.gz FEZNBVODWBHOER-OALUTQOASA-N 1 0 457.535 1.679 20 5 JDBDRO COCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001504853569 1071759214 /nfs/dbraw/zinc/75/92/14/1071759214.db2.gz FZFKKZHZLNDIEF-UHFFFAOYSA-N 1 0 471.562 1.880 20 5 JDBDRO COCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001504853927 1071760265 /nfs/dbraw/zinc/76/02/65/1071760265.db2.gz KANXCZQNWIMWPU-UHFFFAOYSA-N 1 0 457.535 1.538 20 5 JDBDRO COCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001504856957 1071773096 /nfs/dbraw/zinc/77/30/96/1071773096.db2.gz DZIQCZNNPMHVFI-GOSISDBHSA-N 1 0 459.551 1.595 20 5 JDBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(CN2CCCC2=O)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001503491089 1071805604 /nfs/dbraw/zinc/80/56/04/1071805604.db2.gz SOKWIEYAUPNELC-UHFFFAOYSA-N 1 0 484.605 1.971 20 5 JDBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC001504909563 1071861484 /nfs/dbraw/zinc/86/14/84/1071861484.db2.gz BEFMETUBWCSBHY-OALUTQOASA-N 1 0 473.578 1.731 20 5 JDBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C ZINC001504910930 1071865669 /nfs/dbraw/zinc/86/56/69/1071865669.db2.gz OCXAEPBGLWSRIM-HYFFOGBASA-N 1 0 460.535 1.550 20 5 JDBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001504912223 1071870002 /nfs/dbraw/zinc/87/00/02/1071870002.db2.gz ZRFMXICTTXUTGZ-LPHOPBHVSA-N 1 0 471.562 1.925 20 5 JDBDRO CN(CCNS(C)(=O)=O)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001503621865 1071918739 /nfs/dbraw/zinc/91/87/39/1071918739.db2.gz KFOZTJKSXWEKCN-IBGZPJMESA-N 1 0 477.591 1.856 20 5 JDBDRO CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503676796 1072009314 /nfs/dbraw/zinc/00/93/14/1072009314.db2.gz ATRXRHHCIHOQMF-JOCHJYFZSA-N 1 0 460.535 1.755 20 5 JDBDRO COCCOC[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001505040018 1072136072 /nfs/dbraw/zinc/13/60/72/1072136072.db2.gz PBONMIRFLPKMOW-JTSKRJEESA-N 1 0 460.535 1.409 20 5 JDBDRO CS(=O)(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCCC2)CC1 ZINC001505136848 1072323782 /nfs/dbraw/zinc/32/37/82/1072323782.db2.gz FSTQKGMKCILZBC-UHFFFAOYSA-N 1 0 477.591 1.857 20 5 JDBDRO CS(=O)(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001505138598 1072333147 /nfs/dbraw/zinc/33/31/47/1072333147.db2.gz RXZQVRNBMWKPEN-UHFFFAOYSA-N 1 0 461.548 1.197 20 5 JDBDRO CS(=O)(=O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001505144923 1072368504 /nfs/dbraw/zinc/36/85/04/1072368504.db2.gz BTINFFSNUCFIJV-UHFFFAOYSA-N 1 0 477.591 1.857 20 5 JDBDRO Cc1nn(Cc2ccc(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC001465028569 1067730444 /nfs/dbraw/zinc/73/04/44/1067730444.db2.gz GZURCOXNYDFBJJ-NRFANRHFSA-N 1 0 456.547 1.593 20 5 JDBDRO C[C@H]1CN(C(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001466081311 1067857308 /nfs/dbraw/zinc/85/73/08/1067857308.db2.gz AUGGBYWHYKLYFD-WMLDXEAASA-N 1 0 451.474 1.518 20 5 JDBDRO CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC001466927886 1067948763 /nfs/dbraw/zinc/94/87/63/1067948763.db2.gz ULVKDNAQZPWTQZ-QAPCUYQASA-N 1 0 452.577 1.750 20 5 JDBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001467685897 1068051674 /nfs/dbraw/zinc/05/16/74/1068051674.db2.gz BNBDMEDIHSVKHM-IRXDYDNUSA-N 1 0 455.581 1.883 20 5 JDBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)C2 ZINC001468184059 1068198081 /nfs/dbraw/zinc/19/80/81/1068198081.db2.gz VDSGTZXYGSOGKP-UTKZUKDTSA-N 1 0 450.561 1.940 20 5 JDBDRO Cc1cc(OCC(=O)N(C)CC[N@H+](C)CCN2C(=O)c3ccccc3C2=O)ccc1[N+](=O)[O-] ZINC001468608322 1068323480 /nfs/dbraw/zinc/32/34/80/1068323480.db2.gz RRJHDMUZEATHPI-UHFFFAOYSA-N 1 0 454.483 1.968 20 5 JDBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001469060810 1068433257 /nfs/dbraw/zinc/43/32/57/1068433257.db2.gz JJZBPUNLXDWKMF-UHFFFAOYSA-N 1 0 454.483 1.464 20 5 JDBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001469308375 1068490721 /nfs/dbraw/zinc/49/07/21/1068490721.db2.gz JVPPWRQPRZEOLB-UHFFFAOYSA-N 1 0 457.535 1.462 20 5 JDBDRO CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC001469383867 1068508094 /nfs/dbraw/zinc/50/80/94/1068508094.db2.gz PQURMIMZTDNDNQ-UHFFFAOYSA-N 1 0 454.549 1.223 20 5 JDBDRO O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001471798595 1068907400 /nfs/dbraw/zinc/90/74/00/1068907400.db2.gz SFZPGNXBVNDSHI-YYWHXJBOSA-N 1 0 480.587 1.755 20 5 JDBDRO O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001471798594 1068907609 /nfs/dbraw/zinc/90/76/09/1068907609.db2.gz SFZPGNXBVNDSHI-DZFGPLHGSA-N 1 0 480.587 1.755 20 5 JDBDRO CN(CC(=O)N1CCC(O)(C[NH+]2CCCCC2)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001472325204 1068992335 /nfs/dbraw/zinc/99/23/35/1068992335.db2.gz IYGCTNDOERSWNY-UHFFFAOYSA-N 1 0 454.549 1.055 20 5 JDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001472700812 1069044052 /nfs/dbraw/zinc/04/40/52/1069044052.db2.gz WBKMFMTVULRVPT-MRXNPFEDSA-N 1 0 454.549 1.529 20 5 JDBDRO CCN(CC)S(=O)(=O)c1ccc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC001472737514 1069045567 /nfs/dbraw/zinc/04/55/67/1069045567.db2.gz LPPHROQIBZAJOT-SFHVURJKSA-N 1 0 453.565 1.544 20 5 JDBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C[C@H]1[NH+]1CCCC1 ZINC001472762348 1069046340 /nfs/dbraw/zinc/04/63/40/1069046340.db2.gz KPHRDYRUPFTNMM-QZTJIDSGSA-N 1 0 456.590 1.632 20 5 JDBDRO CN1CCN(S(=O)(=O)c2ccc(N3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)c([N+](=O)[O-])c2)CC1 ZINC001472900973 1069049990 /nfs/dbraw/zinc/04/99/90/1069049990.db2.gz UYWOFTYAQNRTGX-KSZLIROESA-N 1 0 451.593 1.697 20 5 JDBDRO CC(C)(C)C[N@H+](CCCO)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001473156398 1069084265 /nfs/dbraw/zinc/08/42/65/1069084265.db2.gz VGGOJBPXPZZDKH-UHFFFAOYSA-N 1 0 456.565 1.158 20 5 JDBDRO O=C(C[N@@H+]1CC[C@H](c2ccccn2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001473424161 1069146714 /nfs/dbraw/zinc/14/67/14/1069146714.db2.gz ZKMRJGJBQGOCNY-KRWDZBQOSA-N 1 0 459.528 1.312 20 5 JDBDRO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001508241498 1073015680 /nfs/dbraw/zinc/01/56/80/1073015680.db2.gz UEPFWHHGZJGLCJ-NRFANRHFSA-N 1 0 471.562 1.879 20 5 JDBDRO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001508316546 1073077818 /nfs/dbraw/zinc/07/78/18/1073077818.db2.gz PNFTZKVWYXTGKL-IBGZPJMESA-N 1 0 471.562 1.805 20 5 JDBDRO CC(=O)NC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001508375281 1073159671 /nfs/dbraw/zinc/15/96/71/1073159671.db2.gz QWHOYUQYDIARAT-SIKLNZKXSA-N 1 0 489.602 1.632 20 5 JDBDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001509436495 1073617811 /nfs/dbraw/zinc/61/78/11/1073617811.db2.gz RMUAWECISAFTGO-PXNSSMCTSA-N 1 0 471.562 1.877 20 5 JDBDRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001509436494 1073618129 /nfs/dbraw/zinc/61/81/29/1073618129.db2.gz RMUAWECISAFTGO-FXAWDEMLSA-N 1 0 471.562 1.877 20 5 JDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164716680 720189743 /nfs/dbraw/zinc/18/97/43/720189743.db2.gz RKCAVKUVYUKMJE-GOSISDBHSA-N 1 0 459.507 1.511 20 5 JDBDRO CN(C)/C=C/c1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001164718134 720196536 /nfs/dbraw/zinc/19/65/36/720196536.db2.gz XKZYJUZDCKWNJC-CLOLKSBNSA-N 1 0 456.551 1.867 20 5 JDBDRO Cc1nc(CN2CCN(C)C3(CCN(c4ncc([N+](=O)[O-])c(C5C[NH2+]C5)n4)CC3)C2=O)cs1 ZINC001164821848 720385831 /nfs/dbraw/zinc/38/58/31/720385831.db2.gz JNFZFPDTCCAVSY-UHFFFAOYSA-N 1 0 472.575 1.150 20 5 JDBDRO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C2)C1 ZINC001164777263 721339736 /nfs/dbraw/zinc/33/97/36/721339736.db2.gz FFSSTXPWAWLQHP-HSZRJFAPSA-N 1 0 486.577 1.518 20 5 JDBDRO CN(Cc1cccnc1)[C@@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])[C@@H]2CCCO[C@H]12 ZINC001164802375 721536887 /nfs/dbraw/zinc/53/68/87/721536887.db2.gz GEKYGULGLPKDSP-GGPKGHCWSA-N 1 0 454.535 1.058 20 5 JDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)ccc1[N+](=O)[O-] ZINC001164968001 722078203 /nfs/dbraw/zinc/07/82/03/722078203.db2.gz ODTKRBRKRRUAGY-IYBDPMFKSA-N 1 0 462.503 1.499 20 5 JDBDRO COC(=O)c1nc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164984315 722105741 /nfs/dbraw/zinc/10/57/41/722105741.db2.gz SKQIUKUXJWBWLO-GJZGRUSLSA-N 1 0 462.894 1.947 20 5 JDBDRO